smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=O)N1CCC(c2ccncc2)CC1)c1cccc(F)c1F ZINC000190629130 1032270356 /nfs/dbraw/zinc/27/03/56/1032270356.db2.gz NZYZSKSYVJMHGO-CYBMUJFWSA-N 0 0 345.393 4.010 50 0 EIAARN Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Cl)cn1)CCC2 ZINC000175868919 1019444688 /nfs/dbraw/zinc/44/46/88/1019444688.db2.gz HSGBQRQCIYTJOY-LBPRGKRZSA-N 0 0 336.848 4.041 50 0 EIAARN Cc1nnc(N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)o1 ZINC000286998264 1019537551 /nfs/dbraw/zinc/53/75/51/1019537551.db2.gz ULLUADOQZWXFMG-GFCCVEGCSA-N 0 0 330.388 4.130 50 0 EIAARN CC(C)c1ccoc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000287073030 1019557370 /nfs/dbraw/zinc/55/73/70/1019557370.db2.gz LGENPUJSMOUYRD-CYBMUJFWSA-N 0 0 347.484 4.344 50 0 EIAARN Cc1nc(CC(=O)Nc2nc3ccccc3n2C2CCCC2)cs1 ZINC000133847281 1020673076 /nfs/dbraw/zinc/67/30/76/1020673076.db2.gz VMLDFOSESNYPCA-UHFFFAOYSA-N 0 0 340.452 4.098 50 0 EIAARN Cc1ccc(S[C@@H](C)C(=O)NCCc2csc(C(C)C)n2)cc1 ZINC000588133696 1020834135 /nfs/dbraw/zinc/83/41/35/1020834135.db2.gz PWLAAVCWFMBAQV-AWEZNQCLSA-N 0 0 348.537 4.414 50 0 EIAARN COC(=O)[C@@]12N=NC(c3ccccc3)(c3ccccc3)[C@]1(C)C2(C)C ZINC000022014331 1020869449 /nfs/dbraw/zinc/86/94/49/1020869449.db2.gz BNLSWDBNYNFCTH-FPOVZHCZSA-N 0 0 334.419 4.354 50 0 EIAARN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000059740135 1022565920 /nfs/dbraw/zinc/56/59/20/1022565920.db2.gz FPKJSRZOIPXKGI-OAHLLOKOSA-N 0 0 330.472 4.033 50 0 EIAARN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc2[nH]ccc2c1 ZINC000329339062 1022864938 /nfs/dbraw/zinc/86/49/38/1022864938.db2.gz NMYJLSHGVTTWHY-LJQANCHMSA-N 0 0 348.450 4.287 50 0 EIAARN COC(=O)/C=C\c1ccc(OCc2ccc(Cl)s2)c(OC)c1 ZINC000098004210 1023193533 /nfs/dbraw/zinc/19/35/33/1023193533.db2.gz GZUBHPKZLYYWKF-YWEYNIOJSA-N 0 0 338.812 4.175 50 0 EIAARN O=C(NCC(c1ccco1)c1ccco1)Nc1ccccc1Cl ZINC000675007626 1023310308 /nfs/dbraw/zinc/31/03/08/1023310308.db2.gz BGRNFNMHTZRONC-UHFFFAOYSA-N 0 0 330.771 4.480 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(F)c1)n1cc(Oc2ccc(F)cc2)cn1 ZINC000675030055 1023341013 /nfs/dbraw/zinc/34/10/13/1023341013.db2.gz JODDGCWSLRHNHX-LBPRGKRZSA-N 0 0 343.333 4.153 50 0 EIAARN C[C@H](C(=O)Nc1ccc(F)cc1)n1cc(Oc2ccc(F)cc2)cn1 ZINC000675030578 1023341412 /nfs/dbraw/zinc/34/14/12/1023341412.db2.gz PWAANOXTYNENPD-GFCCVEGCSA-N 0 0 343.333 4.153 50 0 EIAARN CC[C@H](C(=O)N1CCCC1)n1cc(-c2cccc3ccccc32)cn1 ZINC000675031338 1023343010 /nfs/dbraw/zinc/34/30/10/1023343010.db2.gz ZBBUFBLVKTVVNK-HXUWFJFHSA-N 0 0 333.435 4.277 50 0 EIAARN O=C(Nc1ccc2sncc2c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000190757243 1023495355 /nfs/dbraw/zinc/49/53/55/1023495355.db2.gz LDFKURVWOCZTFE-HNNXBMFYSA-N 0 0 337.448 4.393 50 0 EIAARN Cc1ccc2sc(C(=O)N3CCCC[C@@H]3c3ncc[nH]3)cc2c1 ZINC000290412679 1023609993 /nfs/dbraw/zinc/60/99/93/1023609993.db2.gz MQPLEPHHSMSOQX-CQSZACIVSA-N 0 0 325.437 4.300 50 0 EIAARN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NC(C)(C)c1ccc(C)nc1 ZINC000330841626 1023634453 /nfs/dbraw/zinc/63/44/53/1023634453.db2.gz ZXTNOQVMUXOUNE-WBAXXEDZSA-N 0 0 332.488 4.115 50 0 EIAARN CNC(=O)c1ccc(C)c(N[C@H]2CCC[C@@H](c3ncccc3C)C2)c1 ZINC000331500029 1023666361 /nfs/dbraw/zinc/66/63/61/1023666361.db2.gz HFZBTDVBCIGLAS-AEFFLSMTSA-N 0 0 337.467 4.196 50 0 EIAARN CCc1ccc([C@H]2CCCCN2Cc2nc(CC(F)(F)F)no2)o1 ZINC000331688387 1023698966 /nfs/dbraw/zinc/69/89/66/1023698966.db2.gz XZYXAHYLKYCPQH-GFCCVEGCSA-N 0 0 343.349 4.057 50 0 EIAARN CSc1ccsc1C(=O)Nc1nc(Cc2ccccc2)ns1 ZINC000107198245 1024078640 /nfs/dbraw/zinc/07/86/40/1024078640.db2.gz IBTXRUFTYAKHFA-UHFFFAOYSA-N 0 0 347.490 4.165 50 0 EIAARN CC(C)[C@@H](O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CCO2 ZINC000014886280 1024245245 /nfs/dbraw/zinc/24/52/45/1024245245.db2.gz KAPYUUODZIYLOK-HXUWFJFHSA-N 0 0 345.870 4.424 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccccc1 ZINC000004701835 1024412200 /nfs/dbraw/zinc/41/22/00/1024412200.db2.gz NUQFOEQMTNCENU-UHFFFAOYSA-N 0 0 330.383 4.322 50 0 EIAARN CCc1sc(C(=O)Nc2cccc(N3CCOC3=O)c2C)cc1C ZINC000075349845 1025502684 /nfs/dbraw/zinc/50/26/84/1025502684.db2.gz CFBANADTRRMFDN-UHFFFAOYSA-N 0 0 344.436 4.136 50 0 EIAARN Cc1cccc(Oc2cc(CN[C@@H]3CCCn4ccnc43)ccn2)c1C ZINC000888094082 1025938172 /nfs/dbraw/zinc/93/81/72/1025938172.db2.gz GEECUEZBWJCRKQ-GOSISDBHSA-N 0 0 348.450 4.312 50 0 EIAARN COc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000006510667 1026103497 /nfs/dbraw/zinc/10/34/97/1026103497.db2.gz SXAUEOQSFDSNAT-JLHYYAGUSA-N 0 0 338.794 4.003 50 0 EIAARN O=c1c2ccccc2ncn1CCCCOc1ccc2ccccc2c1 ZINC000002862871 1026761970 /nfs/dbraw/zinc/76/19/70/1026761970.db2.gz COSMAGLOVAKPAK-UHFFFAOYSA-N 0 0 344.414 4.409 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1 ZINC000013097723 1026975234 /nfs/dbraw/zinc/97/52/34/1026975234.db2.gz OTNKIKQMTXACQE-YCRREMRBSA-N 0 0 329.783 4.153 50 0 EIAARN O=C(NCCc1ccccc1)Nc1nc2c(s1)CCCCCC2 ZINC000015784694 1027550410 /nfs/dbraw/zinc/55/04/10/1027550410.db2.gz HJEDXHNNFLSNDY-UHFFFAOYSA-N 0 0 329.469 4.166 50 0 EIAARN C[C@H](NC(=O)NC[C@H]1CC[C@@H](O)C1)c1ccc(Cl)c2ccccc21 ZINC000248885489 1027767589 /nfs/dbraw/zinc/76/75/89/1027767589.db2.gz HFFGEWSIXLITGN-MELADBBJSA-N 0 0 346.858 4.014 50 0 EIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000015837531 1029117861 /nfs/dbraw/zinc/11/78/61/1029117861.db2.gz SBPKLVPKXPDUQT-CQSZACIVSA-N 0 0 332.425 4.134 50 0 EIAARN Cc1cc(CNC(=O)/C=C/c2sc3ccccc3c2Cl)no1 ZINC000067498595 1029316881 /nfs/dbraw/zinc/31/68/81/1029316881.db2.gz NQOKRBGUECPHCK-VOTSOKGWSA-N 0 0 332.812 4.181 50 0 EIAARN COc1ccccc1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000007644089 1029625973 /nfs/dbraw/zinc/62/59/73/1029625973.db2.gz OIWMYJWUVBPEHL-OUKQBFOZSA-N 0 0 344.414 4.442 50 0 EIAARN CC[C@H](CC(=O)Nc1nc(-c2nccn2C)cs1)c1ccccc1 ZINC000119112110 1029736122 /nfs/dbraw/zinc/73/61/22/1029736122.db2.gz DAUVKVQVKSBNPL-CYBMUJFWSA-N 0 0 340.452 4.066 50 0 EIAARN Cn1ccnc1Sc1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000089761489 1030022306 /nfs/dbraw/zinc/02/23/06/1030022306.db2.gz OOHPIYIASYRUCP-VAWYXSNFSA-N 0 0 335.432 4.223 50 0 EIAARN COc1ccc(Nc2nc(Nc3cccc(C)c3)nc(C)c2N)cc1 ZINC000039370713 1030163634 /nfs/dbraw/zinc/16/36/34/1030163634.db2.gz UMBFBMOBAQOQRH-UHFFFAOYSA-N 0 0 335.411 4.171 50 0 EIAARN Cc1cnc(C(C)(C)NC(=O)Nc2cccc(N(C)C(C)C)c2)s1 ZINC000177090601 1031176552 /nfs/dbraw/zinc/17/65/52/1031176552.db2.gz LTNDHWXOITZZRN-UHFFFAOYSA-N 0 0 346.500 4.353 50 0 EIAARN CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCc1nc(C(C)C)no1 ZINC000089578053 1031953304 /nfs/dbraw/zinc/95/33/04/1031953304.db2.gz YSNPKYQHVOCKJG-GFCCVEGCSA-N 0 0 337.851 4.138 50 0 EIAARN Cc1csc(C(=O)N2CCSC[C@H]2c2nccs2)c1Cl ZINC000277038473 1034610361 /nfs/dbraw/zinc/61/03/61/1034610361.db2.gz MBKFSELKAJLYSI-VIFPVBQESA-N 0 0 344.914 4.097 50 0 EIAARN O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc2ncccc21 ZINC000016059036 1035675245 /nfs/dbraw/zinc/67/52/45/1035675245.db2.gz RGFMFKXRBHRSLF-VAWYXSNFSA-N 0 0 340.386 4.072 50 0 EIAARN O=C(c1ccc(O)cc1F)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000436871076 1035899425 /nfs/dbraw/zinc/89/94/25/1035899425.db2.gz PEFAYXMMAKTTRT-LJQANCHMSA-N 0 0 338.382 4.380 50 0 EIAARN CN(CCc1ccc(F)cc1)C(=O)/C=C/c1cccc2cccnc12 ZINC000056228218 1036567001 /nfs/dbraw/zinc/56/70/01/1036567001.db2.gz KDNRROHHKGZFQK-FMIVXFBMSA-N 0 0 334.394 4.088 50 0 EIAARN Cn1c(=O)c(/C=C/c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000170612656 1036705783 /nfs/dbraw/zinc/70/57/83/1036705783.db2.gz OMOLKYOONCUDOK-VQHVLOKHSA-N 0 0 331.202 4.411 50 0 EIAARN O=c1ccnc(C(=Cc2ccc(Cl)c(F)c2)Cc2ccccc2)[nH]1 ZINC000170612944 1036706894 /nfs/dbraw/zinc/70/68/94/1036706894.db2.gz ZSDTTWVVPMWHMM-PTNGSMBKSA-N 0 0 340.785 4.346 50 0 EIAARN O=C(c1cc2cc(F)ccc2s1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187606343 1036762786 /nfs/dbraw/zinc/76/27/86/1036762786.db2.gz QUBTYQBFWNNOMY-HNNXBMFYSA-N 0 0 333.428 4.072 50 0 EIAARN Cc1ccccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000005403469 1037851802 /nfs/dbraw/zinc/85/18/02/1037851802.db2.gz KDKJFDFQYNBIIB-BQYQJAHWSA-N 0 0 343.810 4.462 50 0 EIAARN O=C(Nc1ccc(-c2ccccc2)nn1)c1sccc1OC(F)F ZINC000150848447 1038150330 /nfs/dbraw/zinc/15/03/30/1038150330.db2.gz WUGQPBVTRAJFBY-UHFFFAOYSA-N 0 0 347.346 4.059 50 0 EIAARN COc1cc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc(OC)c1 ZINC000006908276 1038655601 /nfs/dbraw/zinc/65/56/01/1038655601.db2.gz NGCRIRFCPKDDLV-DHDCSXOGSA-N 0 0 342.782 4.090 50 0 EIAARN CCS(=O)(=O)c1ccc2oc(/C=C\c3ccc(C)cc3)nc2c1 ZINC000096792083 1039367799 /nfs/dbraw/zinc/36/77/99/1039367799.db2.gz KBEBTOAOJZWHSB-FLIBITNWSA-N 0 0 327.405 4.100 50 0 EIAARN CCCn1c(C)cc(C(=O)CSc2nc3ccccc3n2C)c1C ZINC000006566929 1039475236 /nfs/dbraw/zinc/47/52/36/1039475236.db2.gz LXFWLPOHWHXMGE-UHFFFAOYSA-N 0 0 341.480 4.377 50 0 EIAARN CCc1nnc(NC(=O)/C=C\c2ccc(-c3ccccc3)s2)s1 ZINC000096879012 1039633406 /nfs/dbraw/zinc/63/34/06/1039633406.db2.gz LVYQLFPOZVMXNI-LUAWRHEFSA-N 0 0 341.461 4.481 50 0 EIAARN COc1ccc(OC)c(NC(=O)/C=C\c2ccc(OC)c(Cl)c2)c1 ZINC000096930847 1039827722 /nfs/dbraw/zinc/82/77/22/1039827722.db2.gz DWIYLYTZSXIQTC-UITAMQMPSA-N 0 0 347.798 4.018 50 0 EIAARN O=C(/C=C\c1ccccc1OC(F)F)Nc1cc(F)ccc1F ZINC000096936506 1039853786 /nfs/dbraw/zinc/85/37/86/1039853786.db2.gz CVPRJTZUZTWOGK-YVMONPNESA-N 0 0 325.261 4.218 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1Cl ZINC000096937259 1039853896 /nfs/dbraw/zinc/85/38/96/1039853896.db2.gz ZNNFJYHPYUYJMR-WTKPLQERSA-N 0 0 332.762 4.089 50 0 EIAARN CCCc1noc([C@@H](C)Sc2n[nH]c(C=Cc3ccccc3)n2)n1 ZINC000097002872 1039886651 /nfs/dbraw/zinc/88/66/51/1039886651.db2.gz PPFVZLMJYZCGDF-NLYDNYMLSA-N 0 0 341.440 4.164 50 0 EIAARN Cc1nc(C)c(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000089557985 1040263107 /nfs/dbraw/zinc/26/31/07/1040263107.db2.gz WWMZWIIQTXBCLM-ZDUSSCGKSA-N 0 0 346.736 4.320 50 0 EIAARN C[C@H](C(=O)Nc1nc2ccccc2n1C1CCCC1)c1cccnc1 ZINC000175177624 1041067683 /nfs/dbraw/zinc/06/76/83/1041067683.db2.gz VKLVBJZZHRUTFP-AWEZNQCLSA-N 0 0 334.423 4.289 50 0 EIAARN CCn1c(=O)c2ccccc2nc1N=NC1C[C@@H](C)CC(C)(C)C1 ZINC000254393292 1041203587 /nfs/dbraw/zinc/20/35/87/1041203587.db2.gz DFKMGSMESACCMI-CYBMUJFWSA-N 0 0 326.444 4.031 50 0 EIAARN Cc1noc2ncc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)cc12 ZINC000030477331 1041322143 /nfs/dbraw/zinc/32/21/43/1041322143.db2.gz VRSIDGMYKMYMFN-SECBINFHSA-N 0 0 349.312 4.041 50 0 EIAARN O=C(C1CCC(O)CC1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000526914960 1042384740 /nfs/dbraw/zinc/38/47/40/1042384740.db2.gz PKRWSAJKMUHGOB-RPCOSWCRSA-N 0 0 327.468 4.022 50 0 EIAARN CCOC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000000138413 1042537988 /nfs/dbraw/zinc/53/79/88/1042537988.db2.gz KZZNPWMYQJUTPP-UHFFFAOYSA-N 0 0 340.331 4.429 50 0 EIAARN O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCC2(CCC2)C1 ZINC000152844727 1043003279 /nfs/dbraw/zinc/00/32/79/1043003279.db2.gz JNDZOVZVFPLEHQ-MRXNPFEDSA-N 0 0 344.455 4.042 50 0 EIAARN C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000171779300 1043156133 /nfs/dbraw/zinc/15/61/33/1043156133.db2.gz IWUYAFGXUGFGGG-KPZWWZAWSA-N 0 0 344.842 4.436 50 0 EIAARN Cc1ccc(C(=O)NC(C)C)cc1NC(=O)c1cc(Cl)ccc1F ZINC000821810323 1043995799 /nfs/dbraw/zinc/99/57/99/1043995799.db2.gz ZYWZHJNGJOQTNI-UHFFFAOYSA-N 0 0 348.805 4.178 50 0 EIAARN COc1cc(C=NN(Cc2ccccc2)c2ccccc2)ccc1O ZINC000254734483 1044044828 /nfs/dbraw/zinc/04/48/28/1044044828.db2.gz WTFGLZMBYYCDTL-UHFFFAOYSA-N 0 0 332.403 4.442 50 0 EIAARN CC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCC2(CCCC2)C1 ZINC000822560096 1044122216 /nfs/dbraw/zinc/12/22/16/1044122216.db2.gz VIUUPNYAGYQXQW-HNNXBMFYSA-N 0 0 328.456 4.078 50 0 EIAARN Fc1ccc(-c2cnnc(N3CCC[C@H]3c3ccc(F)cc3)n2)cc1 ZINC000011703758 1044138187 /nfs/dbraw/zinc/13/81/87/1044138187.db2.gz ZSGFFNVUMAGDFG-SFHVURJKSA-N 0 0 338.361 4.158 50 0 EIAARN CCCc1cc(CNC(=O)Cc2coc3c2c(C)cc(C)c3C)on1 ZINC000823020296 1044212273 /nfs/dbraw/zinc/21/22/73/1044212273.db2.gz PSSRDGWOJYGNJK-UHFFFAOYSA-N 0 0 340.423 4.157 50 0 EIAARN C[C@H](Cc1cc(C(=O)N2CCOc3ccccc32)on1)c1ccccc1 ZINC000012124385 1044220587 /nfs/dbraw/zinc/22/05/87/1044220587.db2.gz MICCCVUXLKGBFE-OAHLLOKOSA-N 0 0 348.402 4.060 50 0 EIAARN CCCn1c(C)nc2cc(NC(=O)CCc3scnc3C)ccc21 ZINC000823024306 1044226357 /nfs/dbraw/zinc/22/63/57/1044226357.db2.gz XDCORYDWPOGWRU-UHFFFAOYSA-N 0 0 342.468 4.091 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc3oc(C)cc3c2)cc1OC ZINC000824736701 1044523310 /nfs/dbraw/zinc/52/33/10/1044523310.db2.gz DMKILWLFUFHAFR-UHFFFAOYSA-N 0 0 339.391 4.330 50 0 EIAARN O=c1nc2c(c(SCc3ccc(Cl)cc3Cl)[nH]1)CCCC2 ZINC000004317103 1044572268 /nfs/dbraw/zinc/57/22/68/1044572268.db2.gz KADAMWGTRIUAJK-UHFFFAOYSA-N 0 0 341.263 4.248 50 0 EIAARN Cc1ccccc1CCC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000504273811 1044710176 /nfs/dbraw/zinc/71/01/76/1044710176.db2.gz GQADHGWZAWOZFC-FQEVSTJZSA-N 0 0 339.435 4.124 50 0 EIAARN CC(C)C(=O)Nc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000827621757 1044877420 /nfs/dbraw/zinc/87/74/20/1044877420.db2.gz NYHXGIOYYGZIEA-IBGZPJMESA-N 0 0 336.435 4.089 50 0 EIAARN COCc1ccc(CN[C@H]2CCCc3nc(-c4ccccc4)ncc32)o1 ZINC000012587388 1044904032 /nfs/dbraw/zinc/90/40/32/1044904032.db2.gz DVFJODWMIYROFB-IBGZPJMESA-N 0 0 349.434 4.050 50 0 EIAARN O=C(Cc1cccc(F)c1)Nc1ccc(N2CCCC2)c2ncccc12 ZINC000828048175 1044926633 /nfs/dbraw/zinc/92/66/33/1044926633.db2.gz TWLASAYABKTCOV-UHFFFAOYSA-N 0 0 349.409 4.155 50 0 EIAARN O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1cc2sccc2[nH]1 ZINC000828146933 1044945595 /nfs/dbraw/zinc/94/55/95/1044945595.db2.gz GZUQKBAGYFGQKX-LBPRGKRZSA-N 0 0 342.420 4.040 50 0 EIAARN Cc1ccc(OCC[C@@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1 ZINC000575313873 1045208998 /nfs/dbraw/zinc/20/89/98/1045208998.db2.gz FRYZJURJSWQKRK-KRWDZBQOSA-N 0 0 348.446 4.408 50 0 EIAARN Cc1nnc(N2CCC(c3nc4cc(Cl)ccc4s3)CC2)o1 ZINC000376188226 1045243040 /nfs/dbraw/zinc/24/30/40/1045243040.db2.gz PGUPHVBDKVWTQB-UHFFFAOYSA-N 0 0 334.832 4.025 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)N(CC2CCCCC2)C2CC2)c1 ZINC000056568512 1045257225 /nfs/dbraw/zinc/25/72/25/1045257225.db2.gz ORTQUNBOCXYFJQ-UHFFFAOYSA-N 0 0 329.444 4.222 50 0 EIAARN CC(C)(C)c1ccc(C(C)(C)C[NH2+]C2CCC(C(=O)[O-])CC2)cc1 ZINC000263404384 1046280512 /nfs/dbraw/zinc/28/05/12/1046280512.db2.gz 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O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccc2ncccc2c1 ZINC000952975417 1049685942 /nfs/dbraw/zinc/68/59/42/1049685942.db2.gz YHFJFMFQHJEVKJ-QGZVFWFLSA-N 0 0 348.402 4.045 50 0 EIAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCc1cc(-c2ccco2)on1 ZINC000952976691 1049686562 /nfs/dbraw/zinc/68/65/62/1049686562.db2.gz UEAKYJMWEOQMKD-UHFFFAOYSA-N 0 0 340.423 4.157 50 0 EIAARN COC[C@@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1ccccc1 ZINC000952968417 1049689409 /nfs/dbraw/zinc/68/94/09/1049689409.db2.gz GRCRRQLEZLUACP-NRFANRHFSA-N 0 0 346.430 4.208 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)c(C)c2)cc(C)n1 ZINC000952990577 1049692462 /nfs/dbraw/zinc/69/24/62/1049692462.db2.gz UZGWKTYGGNSVGY-UHFFFAOYSA-N 0 0 339.439 4.244 50 0 EIAARN Cc1scc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1C ZINC000180044407 1049830028 /nfs/dbraw/zinc/83/00/28/1049830028.db2.gz ZSILGZJCQHXSEF-INIZCTEOSA-N 0 0 335.856 4.232 50 0 EIAARN O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)s1 ZINC000007851695 1049834903 /nfs/dbraw/zinc/83/49/03/1049834903.db2.gz 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201701798 /nfs/dbraw/zinc/70/17/98/201701798.db2.gz BQBDEYNPDLNIEO-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN CCCNC(=O)CCc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000006858193 201702045 /nfs/dbraw/zinc/70/20/45/201702045.db2.gz FPJZASUEMYSPJV-UHFFFAOYSA-N 0 0 338.426 4.288 50 0 EIAARN COc1cc2ccccc2cc1C(=O)NCCSCc1ccco1 ZINC000006845339 201702328 /nfs/dbraw/zinc/70/23/28/201702328.db2.gz CZIQQCFEOOGTTO-UHFFFAOYSA-N 0 0 341.432 4.105 50 0 EIAARN Cc1noc(C)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000006887111 201704026 /nfs/dbraw/zinc/70/40/26/201704026.db2.gz MGWYQWVOUHVOOY-UHFFFAOYSA-N 0 0 334.419 4.243 50 0 EIAARN O=C(Nc1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC000006885860 201704029 /nfs/dbraw/zinc/70/40/29/201704029.db2.gz VSTOLJCURCIUQL-UHFFFAOYSA-N 0 0 331.213 4.039 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)cc3F)nc2c1 ZINC000006908893 201704870 /nfs/dbraw/zinc/70/48/70/201704870.db2.gz AWHLRTRCEDMODG-UHFFFAOYSA-N 0 0 349.818 4.395 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054190887 214223094 /nfs/dbraw/zinc/22/30/94/214223094.db2.gz VZVCWHOTAKFGAH-SFHLNBCPSA-N 0 0 346.405 4.230 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000006919103 201706606 /nfs/dbraw/zinc/70/66/06/201706606.db2.gz BZQYXIGVSOYRQF-UHFFFAOYSA-N 0 0 339.420 4.245 50 0 EIAARN Cc1nc(CNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)cs1 ZINC000056853396 214392088 /nfs/dbraw/zinc/39/20/88/214392088.db2.gz DFPYCWVGVSWRDI-SECBINFHSA-N 0 0 343.374 4.031 50 0 EIAARN CN(C)c1cccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c1 ZINC000056906034 214394123 /nfs/dbraw/zinc/39/41/23/214394123.db2.gz DPVQLMKXYAYSDC-UHFFFAOYSA-N 0 0 335.432 4.033 50 0 EIAARN CC[C@@H](NC(=O)N(C)CC1(c2ccccc2)CC1)c1c(C)noc1C ZINC000189559430 529605277 /nfs/dbraw/zinc/60/52/77/529605277.db2.gz ZHXRDFGGBAONML-QGZVFWFLSA-N 0 0 341.455 4.116 50 0 EIAARN Cc1ccc(-c2nnc(CCC(=O)Nc3cccc(C)c3C)o2)cc1 ZINC000007070220 201712070 /nfs/dbraw/zinc/71/20/70/201712070.db2.gz WLOKILCDTCMFHB-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N ZINC000060119908 214629479 /nfs/dbraw/zinc/62/94/79/214629479.db2.gz SCOOTUMXCXKEAD-UHFFFAOYSA-N 0 0 327.428 4.375 50 0 in-vitro EIAARN O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1Cc1ccccc1 ZINC000004567368 210223416 /nfs/dbraw/zinc/22/34/16/210223416.db2.gz BIZHBWRIHWJGGZ-RGEXLXHISA-N 0 0 328.371 4.110 50 0 EIAARN CC1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000004543225 210218362 /nfs/dbraw/zinc/21/83/62/210218362.db2.gz YCAOTWRDUOUQRW-UHFFFAOYSA-N 0 0 336.646 4.284 50 0 EIAARN COc1ccc2nc(NC(=O)c3ccc(SC)cc3)sc2c1 ZINC000004517569 210211792 /nfs/dbraw/zinc/21/17/92/210211792.db2.gz UNPFBEZCFXMIDX-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN CSc1cccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1 ZINC000004517520 210211011 /nfs/dbraw/zinc/21/10/11/210211011.db2.gz YMKDGQCNNNBQCF-UHFFFAOYSA-N 0 0 339.420 4.328 50 0 EIAARN CCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 ZINC000007408349 201720477 /nfs/dbraw/zinc/72/04/77/201720477.db2.gz HFWURVVRQMXLIR-UHFFFAOYSA-N 0 0 338.451 4.085 50 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4.310 50 0 EIAARN O=C(c1cc2c(cccc2F)s1)N1CCO[C@@H](c2ccccc2)C1 ZINC000027909125 202161921 /nfs/dbraw/zinc/16/19/21/202161921.db2.gz RWMCDWSWBKKUMS-MRXNPFEDSA-N 0 0 341.407 4.254 50 0 EIAARN Cc1cc(C)c(OCC(=O)Nc2nc(-c3ccc[nH]3)cs2)c(C)c1 ZINC000028253001 202167962 /nfs/dbraw/zinc/16/79/62/202167962.db2.gz FOPHVSJPYZPNLO-UHFFFAOYSA-N 0 0 341.436 4.081 50 0 EIAARN Cc1nc(CCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cs1 ZINC000028251580 202167996 /nfs/dbraw/zinc/16/79/96/202167996.db2.gz LFJLOUKZVIUQPL-AWEZNQCLSA-N 0 0 346.496 4.010 50 0 EIAARN CC(=O)NCc1ccc(-c2csc(-c3sccc3C)n2)cc1 ZINC000028334599 202168753 /nfs/dbraw/zinc/16/87/53/202168753.db2.gz QIYOFNCUUZFQBM-UHFFFAOYSA-N 0 0 328.462 4.483 50 0 EIAARN COc1ccc(N[C@H](C)c2nnc(-c3ccc(C)cc3)o2)c(OC)c1 ZINC000028806115 202176414 /nfs/dbraw/zinc/17/64/14/202176414.db2.gz OHGSNZQULXBKJP-CYBMUJFWSA-N 0 0 339.395 4.235 50 0 EIAARN COc1ccc(N[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)c(OC)c1 ZINC000028806112 202176426 /nfs/dbraw/zinc/17/64/26/202176426.db2.gz OHGSNZQULXBKJP-ZDUSSCGKSA-N 0 0 339.395 4.235 50 0 EIAARN COc1ccc(F)cc1-c1csc(NC(=O)C2CCCCC2)n1 ZINC000040111275 202170782 /nfs/dbraw/zinc/17/07/82/202170782.db2.gz SRQHRFPBRHSAEE-UHFFFAOYSA-N 0 0 334.416 4.477 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000040116470 202171530 /nfs/dbraw/zinc/17/15/30/202171530.db2.gz KDGNCPUWVOYGDT-LLVKDONJSA-N 0 0 341.304 4.101 50 0 EIAARN CCCCOc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 ZINC000040122186 202172641 /nfs/dbraw/zinc/17/26/41/202172641.db2.gz RXMYKGJRZMZZSI-OAHLLOKOSA-N 0 0 330.255 4.066 50 0 EIAARN CN(CN1c2cccc3cccc(c23)C1=O)[C@@H]1CCc2ccccc21 ZINC000029309438 202184419 /nfs/dbraw/zinc/18/44/19/202184419.db2.gz WXPZISIPWVLLEA-LJQANCHMSA-N 0 0 328.415 4.377 50 0 EIAARN CSc1ccc(CN(C)C(=O)CCCOc2ccccc2)cc1 ZINC000040159567 202184755 /nfs/dbraw/zinc/18/47/55/202184755.db2.gz YHTBLGBNWQZIBZ-UHFFFAOYSA-N 0 0 329.465 4.226 50 0 EIAARN CSc1nc(C)c(CC(=O)N(C)[C@H]2CCCc3ccccc32)s1 ZINC000029259033 202184811 /nfs/dbraw/zinc/18/48/11/202184811.db2.gz YQEZTCAUNIZFLU-HNNXBMFYSA-N 0 0 346.521 4.252 50 0 EIAARN CCn1c2ccccc2c2cc(NC(=O)c3ccnc(C)n3)ccc21 ZINC000040146493 202178290 /nfs/dbraw/zinc/17/82/90/202178290.db2.gz MKRLKYNAYZGFFI-UHFFFAOYSA-N 0 0 330.391 4.165 50 0 EIAARN O=C1c2cccc3cccc(c23)N1Cc1nnc(-c2ccccc2)o1 ZINC000028914533 202178525 /nfs/dbraw/zinc/17/85/25/202178525.db2.gz QLRNGKCICXHTRS-UHFFFAOYSA-N 0 0 327.343 4.050 50 0 EIAARN Cc1cnc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)s1 ZINC000040160187 202185147 /nfs/dbraw/zinc/18/51/47/202185147.db2.gz SXVVOCFQDVVRPG-QPJJXVBHSA-N 0 0 328.315 4.002 50 0 EIAARN Cc1ccccc1CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000029338092 202185153 /nfs/dbraw/zinc/18/51/53/202185153.db2.gz RKYGDQYIZMUEKP-NRFANRHFSA-N 0 0 345.446 4.021 50 0 EIAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000029547098 202189892 /nfs/dbraw/zinc/18/98/92/202189892.db2.gz MQXGJLLLXBMBTP-MRXNPFEDSA-N 0 0 332.444 4.148 50 0 EIAARN CC(=O)c1cc(C)ccc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000040161387 202185541 /nfs/dbraw/zinc/18/55/41/202185541.db2.gz BSYDGJWDDHNCMT-UHFFFAOYSA-N 0 0 340.400 4.119 50 0 EIAARN CN(C)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cn1 ZINC000030117895 202193357 /nfs/dbraw/zinc/19/33/57/202193357.db2.gz KBLATAFFKVWYDH-UHFFFAOYSA-N 0 0 349.459 4.227 50 0 EIAARN c1ccc2sc([C@H]3CCCCN3Cc3nc(C4CC4)no3)nc2c1 ZINC000029431820 202186929 /nfs/dbraw/zinc/18/69/29/202186929.db2.gz VKUFFMOPIZZHNJ-CQSZACIVSA-N 0 0 340.452 4.284 50 0 EIAARN O=C(CCSc1nc2ccccc2s1)NCCc1ccccc1 ZINC000029506492 202188370 /nfs/dbraw/zinc/18/83/70/202188370.db2.gz UNRQABIWGMXSLK-UHFFFAOYSA-N 0 0 342.489 4.137 50 0 EIAARN O=C(Nc1nc2ccccc2s1)c1cccc(Nc2ncccn2)c1 ZINC000030573662 202196972 /nfs/dbraw/zinc/19/69/72/202196972.db2.gz FOYVVRYECMVJFX-UHFFFAOYSA-N 0 0 347.403 4.082 50 0 EIAARN O=C(C(c1ccccc1)c1ccccc1)N1CCOc2ccccc21 ZINC000030578404 202197079 /nfs/dbraw/zinc/19/70/79/202197079.db2.gz LKRCTXHMRSFDTQ-UHFFFAOYSA-N 0 0 329.399 4.244 50 0 EIAARN CCN(c1ccc(NC(=O)c2cnc3onc(C)c3c2)cc1)C(C)C ZINC000030676039 202198074 /nfs/dbraw/zinc/19/80/74/202198074.db2.gz OWOVBTHTULWZGF-UHFFFAOYSA-N 0 0 338.411 4.018 50 0 EIAARN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000031133656 202202292 /nfs/dbraw/zinc/20/22/92/202202292.db2.gz HDIWHJQGTUXHPT-MNOVXSKESA-N 0 0 339.844 4.055 50 0 EIAARN COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000031133650 202202993 /nfs/dbraw/zinc/20/29/93/202202993.db2.gz HDIWHJQGTUXHPT-QWRGUYRKSA-N 0 0 339.844 4.055 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)nc2)o1 ZINC000031633196 202207204 /nfs/dbraw/zinc/20/72/04/202207204.db2.gz FAQQBCVEFMSXMN-IVXVGSNXSA-N 0 0 337.423 4.050 50 0 EIAARN CC(=O)c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000031676033 202208133 /nfs/dbraw/zinc/20/81/33/202208133.db2.gz JFZRNBUVGKVLGS-UHFFFAOYSA-N 0 0 328.755 4.172 50 0 EIAARN CC[C@@H](NC(=O)Cc1cccc(OC)c1)c1ccccc1OC(F)F ZINC000031756152 202209043 /nfs/dbraw/zinc/20/90/43/202209043.db2.gz OFHDKVOSVSZKRC-MRXNPFEDSA-N 0 0 349.377 4.107 50 0 EIAARN C[C@@H](Sc1nc2sccc2c(N)n1)C(=O)c1ccc(Cl)cc1 ZINC000031787485 202209604 /nfs/dbraw/zinc/20/96/04/202209604.db2.gz RVOZCFNYDSEVLD-MRVPVSSYSA-N 0 0 349.868 4.290 50 0 EIAARN O=C1C[C@H](c2cc(F)ccc2F)c2ncn(-c3ccccc3)c2N1 ZINC000031820438 202210790 /nfs/dbraw/zinc/21/07/90/202210790.db2.gz FRQXOSCLPPSBLJ-CQSZACIVSA-N 0 0 325.318 4.274 50 0 EIAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c1OC ZINC000031819377 202210827 /nfs/dbraw/zinc/21/08/27/202210827.db2.gz MKYALHGYPIDMEB-OAHLLOKOSA-N 0 0 349.390 4.013 50 0 EIAARN Cc1ccc2c(CC(=O)N3CCC[C@H]3c3cccnc3)coc2c1C ZINC000031941941 202214722 /nfs/dbraw/zinc/21/47/22/202214722.db2.gz GNDQWEBMKLGFPU-IBGZPJMESA-N 0 0 334.419 4.351 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1F ZINC000032062949 202220382 /nfs/dbraw/zinc/22/03/82/202220382.db2.gz ATDNJPLTXRZZOY-UHFFFAOYSA-N 0 0 336.366 4.360 50 0 EIAARN O=C(CCc1cccc(Cl)c1Cl)NCCc1cccs1 ZINC000032477948 202225061 /nfs/dbraw/zinc/22/50/61/202225061.db2.gz FSJSSUJSYPNKHJ-UHFFFAOYSA-N 0 0 328.264 4.346 50 0 EIAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccnn1Cc1ccco1 ZINC000032593422 202228039 /nfs/dbraw/zinc/22/80/39/202228039.db2.gz AYMDDDIBSHDPBQ-UHFFFAOYSA-N 0 0 349.390 4.448 50 0 EIAARN Cc1cc(C)c2oc(C(=O)Nc3cccc4cccnc43)cc(=O)c2c1 ZINC000032623263 202229147 /nfs/dbraw/zinc/22/91/47/202229147.db2.gz SQCSBDSAUAOLOO-UHFFFAOYSA-N 0 0 344.370 4.210 50 0 EIAARN O=C(Cc1csc(-c2cccs2)n1)Nc1c(F)cccc1F ZINC000032103486 202221383 /nfs/dbraw/zinc/22/13/83/202221383.db2.gz BFWCDHUHCNZNSY-UHFFFAOYSA-N 0 0 336.388 4.331 50 0 EIAARN CC(=O)c1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1 ZINC000032101922 202221605 /nfs/dbraw/zinc/22/16/05/202221605.db2.gz LLUTWUGBNLCWCJ-UHFFFAOYSA-N 0 0 326.783 4.136 50 0 EIAARN O=C(Nc1cccc(O)c1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000032096427 202221669 /nfs/dbraw/zinc/22/16/69/202221669.db2.gz DIIKLAWTGSUBQQ-UHFFFAOYSA-N 0 0 341.370 4.255 50 0 EIAARN Cc1nc(-c2ccccc2)sc1-c1nn2c(nnc2C(C)C)s1 ZINC000032102833 202221926 /nfs/dbraw/zinc/22/19/26/202221926.db2.gz DYDLGIGVKDOTBK-UHFFFAOYSA-N 0 0 341.465 4.408 50 0 EIAARN C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N1CCc2ccccc2C1 ZINC000032754459 202231848 /nfs/dbraw/zinc/23/18/48/202231848.db2.gz JTDFLFSVRYPMDB-MRXNPFEDSA-N 0 0 348.446 4.011 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N1CCc2ccccc2C1 ZINC000032754460 202232137 /nfs/dbraw/zinc/23/21/37/202232137.db2.gz JTDFLFSVRYPMDB-INIZCTEOSA-N 0 0 348.446 4.011 50 0 EIAARN COc1ccc(-c2noc(CNc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000032753239 202232354 /nfs/dbraw/zinc/23/23/54/202232354.db2.gz KQUWATINZUWRHV-UHFFFAOYSA-N 0 0 349.312 4.376 50 0 EIAARN C[C@H](NC(=O)c1ccccc1Nc1ccc(F)cc1)c1cccnc1 ZINC000032744823 202232515 /nfs/dbraw/zinc/23/25/15/202232515.db2.gz RWFGRGHUKAZRAS-AWEZNQCLSA-N 0 0 335.382 4.455 50 0 EIAARN CCCCc1noc([C@@H](C)Sc2nccc(C(F)(F)F)n2)n1 ZINC000032761086 202233541 /nfs/dbraw/zinc/23/35/41/202233541.db2.gz PZEGLNLZEBKXKQ-MRVPVSSYSA-N 0 0 332.351 4.074 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)CSC[C@H]1CC1(Cl)Cl ZINC000032772163 202233597 /nfs/dbraw/zinc/23/35/97/202233597.db2.gz IGFGJRVPZFWPEH-NWDGAFQWSA-N 0 0 332.296 4.099 50 0 EIAARN Cc1ccc2n[nH]c(C(=O)N[C@H](c3cccs3)c3ccccc3)c2c1 ZINC000032814941 202235597 /nfs/dbraw/zinc/23/55/97/202235597.db2.gz GWVKEIMGZAKDFD-SFHVURJKSA-N 0 0 347.443 4.452 50 0 EIAARN CN(Cc1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 ZINC000032808502 202235701 /nfs/dbraw/zinc/23/57/01/202235701.db2.gz YOYZSVFMIYNKRN-UHFFFAOYSA-N 0 0 334.448 4.178 50 0 EIAARN O=C(CCC1CCCC1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000032817315 202236173 /nfs/dbraw/zinc/23/61/73/202236173.db2.gz PJHNIQGFKCUVHG-UHFFFAOYSA-N 0 0 349.496 4.312 50 0 EIAARN COC(=O)c1oc(CN(C)[C@H](C)c2cc3ccccc3o2)cc1C ZINC000032825279 202236207 /nfs/dbraw/zinc/23/62/07/202236207.db2.gz UPLKQRZULKAGEB-CYBMUJFWSA-N 0 0 327.380 4.314 50 0 EIAARN COCc1c2ccccc2oc1C(=O)OCc1cccc(F)c1F ZINC000032823753 202236294 /nfs/dbraw/zinc/23/62/94/202236294.db2.gz LOZUGZKNHPEIMG-UHFFFAOYSA-N 0 0 332.302 4.214 50 0 EIAARN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(C(C)=O)s2)cc1 ZINC000032821002 202236591 /nfs/dbraw/zinc/23/65/91/202236591.db2.gz XKIQZAPKRJZLJK-MRXNPFEDSA-N 0 0 343.448 4.327 50 0 EIAARN CCN(Cc1cccs1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000032843755 202237600 /nfs/dbraw/zinc/23/76/00/202237600.db2.gz ACSGBGZSKQEKFX-UHFFFAOYSA-N 0 0 342.386 4.499 50 0 EIAARN CCc1ccc(CN(C)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000032850934 202238104 /nfs/dbraw/zinc/23/81/04/202238104.db2.gz RMWUNMGUTLTNIC-UHFFFAOYSA-N 0 0 340.496 4.085 50 0 EIAARN COc1cccc2oc(C(=O)c3ccc(NC(=O)C(C)C)cc3)cc21 ZINC000032869618 202238639 /nfs/dbraw/zinc/23/86/39/202238639.db2.gz NVJRMSYXKUCVFL-UHFFFAOYSA-N 0 0 337.375 4.267 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2C)cc1F ZINC000032863037 202238972 /nfs/dbraw/zinc/23/89/72/202238972.db2.gz XOACXZWKKHTHDP-KGLIPLIRSA-N 0 0 330.403 4.264 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000032895452 202239488 /nfs/dbraw/zinc/23/94/88/202239488.db2.gz HABUSLUWIISPGD-IUODEOHRSA-N 0 0 344.377 4.006 50 0 EIAARN CC[C@@H]1CN(CC(=O)Nc2ccccc2OC)c2ccccc2S1 ZINC000033059363 202248316 /nfs/dbraw/zinc/24/83/16/202248316.db2.gz UTTJHRJLFOJUSZ-CQSZACIVSA-N 0 0 342.464 4.025 50 0 EIAARN O=C(NC1CCCCC1)c1sc2ncccc2c1-n1cccc1 ZINC000033059832 202248577 /nfs/dbraw/zinc/24/85/77/202248577.db2.gz MWOMFGBFPLSWPL-UHFFFAOYSA-N 0 0 325.437 4.150 50 0 EIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccc(C)c(C)c1 ZINC000033086138 202249280 /nfs/dbraw/zinc/24/92/80/202249280.db2.gz SOPSEKSMLBQHFO-UHFFFAOYSA-N 0 0 334.423 4.321 50 0 EIAARN Cc1cccc(COc2cccc(C(=O)O[C@@H]3CCCCC3=O)c2)c1 ZINC000032901724 202240386 /nfs/dbraw/zinc/24/03/86/202240386.db2.gz PNYPPRYSJHDSDD-HXUWFJFHSA-N 0 0 338.403 4.243 50 0 EIAARN CCc1noc(CSc2nccn2-c2cccc(Cl)c2C)n1 ZINC000032905138 202240855 /nfs/dbraw/zinc/24/08/55/202240855.db2.gz KXPOXONQEKXULH-UHFFFAOYSA-N 0 0 334.832 4.072 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)CS[C@@H](C)c1ccccc1 ZINC000032909440 202241009 /nfs/dbraw/zinc/24/10/09/202241009.db2.gz PDJZLTZEXSJHCN-CABCVRRESA-N 0 0 329.465 4.367 50 0 EIAARN Cc1cccc(/C=C(/C(=O)N2C[C@H](C)O[C@@H](C)C2)c2cccs2)c1 ZINC000032906691 202241039 /nfs/dbraw/zinc/24/10/39/202241039.db2.gz VWFJKGKGKSAAQE-DYFSNASRSA-N 0 0 341.476 4.233 50 0 EIAARN Cc1nc(CSCC(=O)NC[C@@H](c2ccccc2)C(C)C)cs1 ZINC000032914600 202241772 /nfs/dbraw/zinc/24/17/72/202241772.db2.gz JFAMZJJLGTXUQI-QGZVFWFLSA-N 0 0 348.537 4.241 50 0 EIAARN Cc1nc(CSCC(=O)NC[C@H](c2ccccc2)C(C)C)cs1 ZINC000032914601 202241784 /nfs/dbraw/zinc/24/17/84/202241784.db2.gz JFAMZJJLGTXUQI-KRWDZBQOSA-N 0 0 348.537 4.241 50 0 EIAARN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1F ZINC000032930151 202242441 /nfs/dbraw/zinc/24/24/41/202242441.db2.gz VDYYRKWCWTWJAJ-UHFFFAOYSA-N 0 0 333.231 4.053 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)c1cc2ccc(C)cc2nc1C ZINC000032947845 202243485 /nfs/dbraw/zinc/24/34/85/202243485.db2.gz VRYGXMVNXSZPAE-UHFFFAOYSA-N 0 0 346.430 4.453 50 0 EIAARN O=C(N[C@H](Cc1ccccc1)Cc1ccc(F)cc1)c1cccs1 ZINC000032949352 202243536 /nfs/dbraw/zinc/24/35/36/202243536.db2.gz KZKIQUPIMDKQOA-GOSISDBHSA-N 0 0 339.435 4.471 50 0 EIAARN CN(Cc1ccc2ccccc2c1)Cn1nnc2ccccc2c1=S ZINC000032932626 202243661 /nfs/dbraw/zinc/24/36/61/202243661.db2.gz WVADJFWBSBHIOA-UHFFFAOYSA-N 0 0 346.459 4.403 50 0 EIAARN Cc1nc2ccccc2n1CCNC(=O)Nc1cccc(Cl)c1C ZINC000032951067 202244274 /nfs/dbraw/zinc/24/42/74/202244274.db2.gz GLTXIESKHYRCMF-UHFFFAOYSA-N 0 0 342.830 4.128 50 0 EIAARN CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)c1ccco1 ZINC000032971668 202245383 /nfs/dbraw/zinc/24/53/83/202245383.db2.gz RPVGLENBXLPIAM-UHFFFAOYSA-N 0 0 331.412 4.129 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3C)cc2)no1 ZINC000032996352 202245846 /nfs/dbraw/zinc/24/58/46/202245846.db2.gz JCLNWTVFEQITNY-UHFFFAOYSA-N 0 0 326.331 4.137 50 0 EIAARN CSc1ccc(CNC(=O)C2(n3cccc3)CCCCC2)cc1 ZINC000033019361 202247449 /nfs/dbraw/zinc/24/74/49/202247449.db2.gz TXOSCCKNPNTFAZ-UHFFFAOYSA-N 0 0 328.481 4.186 50 0 EIAARN CCCCC(=O)Nc1ccccc1CCc1nc2ccccc2n1C 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Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCCc4ccccc43)c2)no1 ZINC000033257599 202253888 /nfs/dbraw/zinc/25/38/88/202253888.db2.gz DJCFOTSITLOAEQ-GOSISDBHSA-N 0 0 348.406 4.244 50 0 EIAARN CC[C@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccccc3)n2)c1 ZINC000033257532 202253963 /nfs/dbraw/zinc/25/39/63/202253963.db2.gz HWXVNTFCILUABV-ZDUSSCGKSA-N 0 0 336.395 4.324 50 0 EIAARN CN(C)c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000033255537 202254089 /nfs/dbraw/zinc/25/40/89/202254089.db2.gz RETGCKJNGONRBC-UHFFFAOYSA-N 0 0 329.787 4.035 50 0 EIAARN Cc1ccsc1-c1nc(-c2ccc(NC(=O)NC(C)C)cc2)no1 ZINC000033257170 202254381 /nfs/dbraw/zinc/25/43/81/202254381.db2.gz NBCULIPLRQQESD-UHFFFAOYSA-N 0 0 342.424 4.303 50 0 EIAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1 ZINC000033292552 202256281 /nfs/dbraw/zinc/25/62/81/202256281.db2.gz JRVITEBCIYHBTD-UHFFFAOYSA-N 0 0 339.370 4.388 50 0 EIAARN COc1ccccc1CNc1nc2ccccc2cc1-c1noc(C)n1 ZINC000033318220 202257045 /nfs/dbraw/zinc/25/70/45/202257045.db2.gz FFAWDRUITDDMJP-UHFFFAOYSA-N 0 0 346.390 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CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)no1 ZINC000035511384 202305552 /nfs/dbraw/zinc/30/55/52/202305552.db2.gz RMUKNILPXSKSCR-OAHLLOKOSA-N 0 0 335.354 4.445 50 0 EIAARN CC[C@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1ccc(C)cc1 ZINC000035622114 202306691 /nfs/dbraw/zinc/30/66/91/202306691.db2.gz LGZPWYVVVFLWBE-SFHVURJKSA-N 0 0 341.846 4.361 50 0 EIAARN Cc1cccc(Nc2c(-c3ccc(O)cc3)nc3cnccn32)c1C ZINC000035622699 202307065 /nfs/dbraw/zinc/30/70/65/202307065.db2.gz KWWXNXRSGPYQDL-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN CCOCCCNC(=O)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000035561733 202307208 /nfs/dbraw/zinc/30/72/08/202307208.db2.gz LTQRCVGZHUOWGL-QGZVFWFLSA-N 0 0 338.879 4.393 50 0 EIAARN Cc1c2cc(C)cc(C)c2oc1C(=O)N1CCOC12CCCCC2 ZINC000035671081 202308343 /nfs/dbraw/zinc/30/83/43/202308343.db2.gz MQRBLEDPJBTUJC-UHFFFAOYSA-N 0 0 327.424 4.491 50 0 EIAARN CCc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1 ZINC000035959258 202310402 /nfs/dbraw/zinc/31/04/02/202310402.db2.gz YGOPMUNQQMEHAC-UHFFFAOYSA-N 0 0 331.375 4.409 50 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O=C(Nc1ccc(Cl)cc1F)c1cccc(NC(=O)C2CC2)c1 ZINC000025133764 212460504 /nfs/dbraw/zinc/46/05/04/212460504.db2.gz AAEIXOICPOCOSD-UHFFFAOYSA-N 0 0 332.762 4.080 50 0 EIAARN CCOc1ccc2oc(C)c(C(=O)Nc3ccc(OC)cc3)c2c1 ZINC000011866434 201362647 /nfs/dbraw/zinc/36/26/47/201362647.db2.gz MEEJGKQKJNEMGY-UHFFFAOYSA-N 0 0 325.364 4.401 50 0 EIAARN COc1ccc(CN[C@H](c2cccc3ccccc32)C(F)(F)F)nn1 ZINC000330032280 201363309 /nfs/dbraw/zinc/36/33/09/201363309.db2.gz LBWDFUZDEQYJBR-QGZVFWFLSA-N 0 0 347.340 4.032 50 0 EIAARN CCOC(=O)c1oc2ccc(NC(=O)c3ccc(F)cc3)cc2c1C ZINC000009659850 201363333 /nfs/dbraw/zinc/36/33/33/201363333.db2.gz IZQSIAYBNIYSER-UHFFFAOYSA-N 0 0 341.338 4.309 50 0 EIAARN Cc1oc2ccc(OCC(=O)OC(C)(C)C)cc2c1C(=O)OC(C)C ZINC000000389326 201358030 /nfs/dbraw/zinc/35/80/30/201358030.db2.gz LUDOXJZGKCHJJC-UHFFFAOYSA-N 0 0 348.395 4.027 50 0 EIAARN COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000185349 201358107 /nfs/dbraw/zinc/35/81/07/201358107.db2.gz VESBIKBFVPZGFZ-UHFFFAOYSA-N 0 0 331.371 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O=C(c1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1C(F)(F)F ZINC000225747846 242017489 /nfs/dbraw/zinc/01/74/89/242017489.db2.gz OQXINRPQJIUEHJ-LLVKDONJSA-N 0 0 325.252 4.262 50 0 EIAARN COc1cccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c1 ZINC000021667904 212238321 /nfs/dbraw/zinc/23/83/21/212238321.db2.gz QGOLGFMXVBJFJA-UHFFFAOYSA-N 0 0 336.416 4.005 50 0 EIAARN COc1ccc(C2(CNC(=O)c3ccccc3F)CCCC2)cc1 ZINC000021691156 212240919 /nfs/dbraw/zinc/24/09/19/212240919.db2.gz OPEYQFBVZGAGBD-UHFFFAOYSA-N 0 0 327.399 4.076 50 0 EIAARN CCc1ccc(OCCCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000001777386 201519408 /nfs/dbraw/zinc/51/94/08/201519408.db2.gz NSZBRBBYYBERLN-UHFFFAOYSA-N 0 0 327.424 4.364 50 0 EIAARN Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)no1 ZINC000001794255 201521141 /nfs/dbraw/zinc/52/11/41/201521141.db2.gz MDWLVJCLJQXBQY-UHFFFAOYSA-N 0 0 329.183 4.088 50 0 EIAARN Fc1cccc(Cl)c1[C@@H]1C=C(c2ccccc2)Nc2nnnn21 ZINC000001788042 201520610 /nfs/dbraw/zinc/52/06/10/201520610.db2.gz BPUVCLMPTITWGS-AWEZNQCLSA-N 0 0 327.750 4.118 50 0 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326.421 4.402 50 0 EIAARN CCc1ccc(OCCOCCOc2cccc3cccnc32)cc1 ZINC000002985456 201554195 /nfs/dbraw/zinc/55/41/95/201554195.db2.gz JUUQDVLKFMDVQK-UHFFFAOYSA-N 0 0 337.419 4.272 50 0 EIAARN O=C(C=Cc1ccco1)OCC(=O)c1ccc(Cl)cc1Cl ZINC000003235146 201561397 /nfs/dbraw/zinc/56/13/97/201561397.db2.gz RCMZLYPIHFJJKC-GQCTYLIASA-N 0 0 325.147 4.026 50 0 EIAARN O=C(OCc1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1 ZINC000003274929 201562829 /nfs/dbraw/zinc/56/28/29/201562829.db2.gz RVXWHRNTGXKOQU-UHFFFAOYSA-N 0 0 348.276 4.169 50 0 EIAARN CCCCc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000002875670 201550095 /nfs/dbraw/zinc/55/00/95/201550095.db2.gz SDCWCFHBSQHBQE-UHFFFAOYSA-N 0 0 330.240 4.440 50 0 EIAARN O=C(Nc1ccccc1)OCCOc1ccc(Br)cc1 ZINC000002893373 201550117 /nfs/dbraw/zinc/55/01/17/201550117.db2.gz ZZPUSOZSWKJVFS-UHFFFAOYSA-N 0 0 336.185 4.077 50 0 EIAARN C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003291660 201563894 /nfs/dbraw/zinc/56/38/94/201563894.db2.gz DIZHHYODHRKTPJ-JTQLQIEISA-N 0 0 344.238 4.444 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331.799 4.044 50 0 EIAARN Cc1ccccc1CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21 ZINC000004250069 201595572 /nfs/dbraw/zinc/59/55/72/201595572.db2.gz YPCDYROZNWAASG-UHFFFAOYSA-N 0 0 348.431 4.098 50 0 EIAARN O=S(=O)(Oc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 ZINC000004321580 201597010 /nfs/dbraw/zinc/59/70/10/201597010.db2.gz PDNUGYLPMBMGFI-UHFFFAOYSA-N 0 0 344.363 4.386 50 0 EIAARN Cc1ccc(CNC(=O)c2csc(Nc3ccccc3C)n2)cc1 ZINC000004687931 201611892 /nfs/dbraw/zinc/61/18/92/201611892.db2.gz MOAJUTVOWRCREB-UHFFFAOYSA-N 0 0 337.448 4.434 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C)c(NC(C)=O)c2C)C1(C)C ZINC000004717208 201613132 /nfs/dbraw/zinc/61/31/32/201613132.db2.gz UBMUQOIKALRVBB-WBVHZDCISA-N 0 0 328.456 4.439 50 0 EIAARN O=C(COc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000004759468 201618132 /nfs/dbraw/zinc/61/81/32/201618132.db2.gz ICSKQAQRBDZEGM-UHFFFAOYSA-N 0 0 329.705 4.376 50 0 EIAARN Cc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)s1 ZINC000004834904 201621349 /nfs/dbraw/zinc/62/13/49/201621349.db2.gz 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CCc1ccccc1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O ZINC000239259359 242952337 /nfs/dbraw/zinc/95/23/37/242952337.db2.gz ZCBHLUSOQLVXFZ-GUDVDZBRSA-N 0 0 333.431 4.322 50 0 EIAARN Cc1ccc(-n2nnnc2S[C@H](C)c2ccc(F)cc2)cc1C ZINC000005171417 201641568 /nfs/dbraw/zinc/64/15/68/201641568.db2.gz NLWMZSBQINXXFT-CYBMUJFWSA-N 0 0 328.416 4.272 50 0 EIAARN CSc1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000005211572 201642691 /nfs/dbraw/zinc/64/26/91/201642691.db2.gz GMVZVTXRPGQZHX-VIFPVBQESA-N 0 0 349.506 4.413 50 0 EIAARN Cc1cc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)ccc1Cl ZINC000005235900 201643262 /nfs/dbraw/zinc/64/32/62/201643262.db2.gz XMKLSDRKWQDAEN-CYBMUJFWSA-N 0 0 339.826 4.056 50 0 EIAARN Cc1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1 ZINC000005269984 201645600 /nfs/dbraw/zinc/64/56/00/201645600.db2.gz NKJYPJDPZIYCGR-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN CC(C)COc1cccc(OCC(=O)Nc2ccccc2Cl)c1 ZINC000005384313 201649632 /nfs/dbraw/zinc/64/96/32/201649632.db2.gz FEXSJXRXGXESRK-UHFFFAOYSA-N 0 0 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COc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCCO)CCC2 ZINC000065398952 202843169 /nfs/dbraw/zinc/84/31/69/202843169.db2.gz WUNAWCUGCILSAE-UHFFFAOYSA-N 0 0 348.446 4.097 50 0 EIAARN Cc1cccc(C)c1NC(=O)NCCc1coc(-c2ccccc2)n1 ZINC000065606960 202868949 /nfs/dbraw/zinc/86/89/49/202868949.db2.gz VPZUBYFYOLAMNF-UHFFFAOYSA-N 0 0 335.407 4.323 50 0 EIAARN Cc1cccc(C)c1NC(=O)CSCCCOc1ccccc1 ZINC000065623548 202871887 /nfs/dbraw/zinc/87/18/87/202871887.db2.gz OBLTTZVNLPOFEX-UHFFFAOYSA-N 0 0 329.465 4.444 50 0 EIAARN CCc1cc(=O)oc2c1ccc1c2CN([C@H](C)c2ccccc2)CO1 ZINC000020610202 212154908 /nfs/dbraw/zinc/15/49/08/212154908.db2.gz UAWDMSXWKSKYAG-CQSZACIVSA-N 0 0 335.403 4.269 50 0 biogenic EIAARN c1nc(-c2ccccc2)c(-c2ccncc2)n1Cc1cc(C2CC2)[nH]n1 ZINC000067850412 202939961 /nfs/dbraw/zinc/93/99/61/202939961.db2.gz RBBSPRJYTXGMND-UHFFFAOYSA-N 0 0 341.418 4.261 50 0 EIAARN CCC[C@H]1C[C@H]1C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067878769 202944037 /nfs/dbraw/zinc/94/40/37/202944037.db2.gz NVEWLJQHUGNVLV-SWLSCSKDSA-N 0 0 346.377 4.205 50 0 EIAARN c1c[nH]c(-c2c(-c3ccccc3)ncn2CCSc2ccccn2)n1 ZINC000067649728 202922629 /nfs/dbraw/zinc/92/26/29/202922629.db2.gz TVBGBSCIVFUSKH-UHFFFAOYSA-N 0 0 347.447 4.128 50 0 EIAARN Cc1ccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc1 ZINC000067673610 202924494 /nfs/dbraw/zinc/92/44/94/202924494.db2.gz DKCPAKHOQAFARJ-FCHUYYIVSA-N 0 0 345.442 4.139 50 0 EIAARN CCCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067726222 202929042 /nfs/dbraw/zinc/92/90/42/202929042.db2.gz RGDJVMQZBCTXNT-UHFFFAOYSA-N 0 0 345.826 4.234 50 0 EIAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2[nH]cnc2c1 ZINC000090610286 202995103 /nfs/dbraw/zinc/99/51/03/202995103.db2.gz PRHSTYGCADPFAA-UHFFFAOYSA-N 0 0 339.704 4.487 50 0 EIAARN CS[C@H](C)C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000069420832 202998998 /nfs/dbraw/zinc/99/89/98/202998998.db2.gz KVAHUCAQJVPZOW-MLGOLLRUSA-N 0 0 347.459 4.021 50 0 EIAARN CC1CCC(C)(NC(=O)CCCc2nnc(-c3ccccc3)o2)CC1 ZINC000069452762 203003312 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CO[C@@H](C)c1cccc(NC(=O)Cc2nc(-c3ccco3)oc2C)c1 ZINC000069738982 203043374 /nfs/dbraw/zinc/04/33/74/203043374.db2.gz DGARJUGWZITOSO-LBPRGKRZSA-N 0 0 340.379 4.132 50 0 EIAARN O[C@@H](CSCc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000069738910 203043866 /nfs/dbraw/zinc/04/38/66/203043866.db2.gz DCSPRBXXJJGCHS-HNNXBMFYSA-N 0 0 346.839 4.357 50 0 EIAARN COCc1cccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000069743918 203044956 /nfs/dbraw/zinc/04/49/56/203044956.db2.gz BJUUVNMAYOPGNK-HXUWFJFHSA-N 0 0 347.418 4.139 50 0 EIAARN Cc1cc(CN(C)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)no1 ZINC000069744904 203045838 /nfs/dbraw/zinc/04/58/38/203045838.db2.gz RLCOJIOSHFZAOP-UHFFFAOYSA-N 0 0 342.399 4.086 50 0 EIAARN Cc1cccc(CN(Cc2ccccn2)C(=O)/C=C/c2ccncc2)c1 ZINC000069875804 203059544 /nfs/dbraw/zinc/05/95/44/203059544.db2.gz PSHFGZZEVPLDRN-CMDGGOBGSA-N 0 0 343.430 4.027 50 0 EIAARN COC(=O)[C@H](Sc1nnc(-c2ccc(C)cc2)o1)c1ccsc1 ZINC000252479703 243763437 /nfs/dbraw/zinc/76/34/37/243763437.db2.gz BKIDKVOXOAGTHV-CYBMUJFWSA-N 0 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GNMFRXLJWPSVFP-UHFFFAOYSA-N 0 0 333.391 4.160 50 0 biogenic EIAARN Cc1noc(C)c1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000071195093 203087849 /nfs/dbraw/zinc/08/78/49/203087849.db2.gz FRWFBEWLRHKZRO-NSHDSACASA-N 0 0 333.457 4.151 50 0 EIAARN CC(C)NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000071279686 203088882 /nfs/dbraw/zinc/08/88/82/203088882.db2.gz PZPYCZRHZXWMDB-ZDUSSCGKSA-N 0 0 330.255 4.030 50 0 EIAARN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(C)cc1 ZINC000071326681 203092411 /nfs/dbraw/zinc/09/24/11/203092411.db2.gz JJKHUCONXZTABB-UHFFFAOYSA-N 0 0 343.496 4.435 50 0 EIAARN COc1ccc2cc([C@@H]3CN(Cc4ncccc4C)CCO3)ccc2c1 ZINC000071403950 203093944 /nfs/dbraw/zinc/09/39/44/203093944.db2.gz CYTMMBYVOKZFHN-QFIPXVFZSA-N 0 0 348.446 4.125 50 0 EIAARN Cc1csc([C@H](C)n2ccnc2-c2ccc(-c3cc[nH]n3)s2)n1 ZINC000071498245 203098227 /nfs/dbraw/zinc/09/82/27/203098227.db2.gz NUVOUFBWXUOUBA-NSHDSACASA-N 0 0 341.465 4.376 50 0 EIAARN CCc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)ccn1 ZINC000071479632 203098761 /nfs/dbraw/zinc/09/87/61/203098761.db2.gz UPXZFGYBGIMECD-QGZVFWFLSA-N 0 0 340.442 4.268 50 0 EIAARN CC[C@@H](c1cccs1)n1ccnc1-c1cc2ccccc2[nH]c1=O ZINC000071589519 203100428 /nfs/dbraw/zinc/10/04/28/203100428.db2.gz FGCNVJDESHSXBL-INIZCTEOSA-N 0 0 335.432 4.453 50 0 EIAARN Cc1csc([C@@H](C)n2ccnc2-c2cc3c(cc2C)OCCO3)n1 ZINC000071748801 203106330 /nfs/dbraw/zinc/10/63/30/203106330.db2.gz ZBHCUMVPCJIVFW-CYBMUJFWSA-N 0 0 341.436 4.004 50 0 EIAARN Clc1ccc([C@H]2CN(CCc3ccccn3)CCO2)cc1Cl ZINC000071751279 203107550 /nfs/dbraw/zinc/10/75/50/203107550.db2.gz SHECAWJMNGSQEB-QGZVFWFLSA-N 0 0 337.250 4.004 50 0 EIAARN Cc1ncsc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071753439 203108207 /nfs/dbraw/zinc/10/82/07/203108207.db2.gz HIAAXFQAFFGUFQ-HNNXBMFYSA-N 0 0 332.444 4.076 50 0 EIAARN Oc1cccc(-c2nccn2Cc2csc(-c3cccs3)n2)c1 ZINC000071754806 203108522 /nfs/dbraw/zinc/10/85/22/203108522.db2.gz DTFLGFMBXAKTIZ-UHFFFAOYSA-N 0 0 339.445 4.489 50 0 EIAARN CC[C@@H](c1ccncc1)n1ccnc1-c1cnc(-c2cccs2)nc1 ZINC000071763376 203110015 /nfs/dbraw/zinc/11/00/15/203110015.db2.gz BTSHHWLJNSXCIB-INIZCTEOSA-N 0 0 347.447 4.463 50 0 EIAARN Cc1[nH]c2ccc(CNC(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2c1C ZINC000071767773 203111623 /nfs/dbraw/zinc/11/16/23/203111623.db2.gz MVKDQRDSIVHCBJ-QUCCMNQESA-N 0 0 333.435 4.140 50 0 EIAARN O=C(CCCc1nc2ccccc2o1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000071847954 203128098 /nfs/dbraw/zinc/12/80/98/203128098.db2.gz RAEBRTNCRWLDCF-HOTGVXAUSA-N 0 0 326.440 4.189 50 0 EIAARN Cc1noc(Cl)c1CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000071853753 203129357 /nfs/dbraw/zinc/12/93/57/203129357.db2.gz XUMPDQFXBMVUQZ-JTQLQIEISA-N 0 0 327.211 4.052 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c2ccc(F)cc2n1 ZINC000071802745 203115542 /nfs/dbraw/zinc/11/55/42/203115542.db2.gz WCVCCXUQBYOIRJ-LLVKDONJSA-N 0 0 340.320 4.097 50 0 EIAARN CN(Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000071799683 203115579 /nfs/dbraw/zinc/11/55/79/203115579.db2.gz FUWPHKASRTULPK-FQEVSTJZSA-N 0 0 331.419 4.013 50 0 EIAARN O=C(Nc1ccccc1COc1ccccc1)[C@H]1Cc2ccccc2O1 ZINC000071818532 203118878 /nfs/dbraw/zinc/11/88/78/203118878.db2.gz AMWLJTIEPNINKG-OAQYLSRUSA-N 0 0 345.398 4.208 50 0 EIAARN COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000071824115 203119117 /nfs/dbraw/zinc/11/91/17/203119117.db2.gz XHMSDQFEUCHEAY-OXJNMPFZSA-N 0 0 338.451 4.197 50 0 EIAARN CC(C)(C)c1csc(CNC(=O)c2ccc(-c3cnco3)cc2)n1 ZINC000071856453 203130392 /nfs/dbraw/zinc/13/03/92/203130392.db2.gz YAAZRPQUUPHABC-UHFFFAOYSA-N 0 0 341.436 4.026 50 0 EIAARN CCc1c(NC(=O)c2cccc(NC(C)C)c2)n[nH]c1-c1ccncc1 ZINC000071897938 203143065 /nfs/dbraw/zinc/14/30/65/203143065.db2.gz JLXZCFOTBPPWCK-UHFFFAOYSA-N 0 0 349.438 4.107 50 0 EIAARN CSCc1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1C ZINC000071909683 203147859 /nfs/dbraw/zinc/14/78/59/203147859.db2.gz QDABUXWUFWJFTB-UHFFFAOYSA-N 0 0 339.464 4.306 50 0 EIAARN COCc1c2ccccc2sc1C(=O)N(C)Cc1cnc(C)s1 ZINC000071862874 203131250 /nfs/dbraw/zinc/13/12/50/203131250.db2.gz OUNBWHIWSWVXEG-UHFFFAOYSA-N 0 0 346.477 4.085 50 0 EIAARN Cc1nc([C@H](C)NC(=O)NCc2cccc(C(F)(F)F)c2)cs1 ZINC000071886628 203138352 /nfs/dbraw/zinc/13/83/52/203138352.db2.gz FUHQVSUNDSNBFR-VIFPVBQESA-N 0 0 343.374 4.031 50 0 EIAARN COc1ccc(C2(NC(=O)Nc3cccnc3Cl)CCCC2)cc1 ZINC000072074866 203160305 /nfs/dbraw/zinc/16/03/05/203160305.db2.gz NGPYBTQPCAVLBF-UHFFFAOYSA-N 0 0 345.830 4.335 50 0 EIAARN Oc1ccc(C2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000072097138 203161500 /nfs/dbraw/zinc/16/15/00/203161500.db2.gz OIIIUXZDEYKEBX-UHFFFAOYSA-N 0 0 331.419 4.233 50 0 EIAARN Cc1c(C(=O)Nc2cccc3ccc(C)nc32)cnn1-c1ccccc1 ZINC000072090911 203161632 /nfs/dbraw/zinc/16/16/32/203161632.db2.gz HXYZMADPFJOYBA-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN O=C(c1cc(-c2ccccc2)on1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000072128338 203164623 /nfs/dbraw/zinc/16/46/23/203164623.db2.gz UBZKLGPACVBUQR-UHFFFAOYSA-N 0 0 348.377 4.410 50 0 EIAARN C[C@@H](O)c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c1 ZINC000072144527 203169261 /nfs/dbraw/zinc/16/92/61/203169261.db2.gz HJVUNWCBIYHENN-CQSZACIVSA-N 0 0 344.418 4.290 50 0 EIAARN Cc1nnc(CN(Cc2ccco2)Cc2cc3cc(C)ccc3o2)o1 ZINC000071916179 203151069 /nfs/dbraw/zinc/15/10/69/203151069.db2.gz WCJQGRDQEWXCQN-UHFFFAOYSA-N 0 0 337.379 4.228 50 0 EIAARN COc1ccccc1-c1cc(NCc2cccnc2)nc2[nH]ccc21 ZINC000072149185 203171039 /nfs/dbraw/zinc/17/10/39/203171039.db2.gz SICPHZYSEYYPCR-UHFFFAOYSA-N 0 0 330.391 4.246 50 0 EIAARN Cc1cccc(Oc2ccc(C(=O)N3CC(c4ccccn4)C3)cc2)c1 ZINC000072163623 203178315 /nfs/dbraw/zinc/17/83/15/203178315.db2.gz UIJPFTJDXQZMRR-UHFFFAOYSA-N 0 0 344.414 4.422 50 0 EIAARN O=C(c1cc(-c2ccccc2)on1)N1CCc2c([nH]c3ccccc32)C1 ZINC000072167161 203178905 /nfs/dbraw/zinc/17/89/05/203178905.db2.gz NYXYKJRVZFKNGO-UHFFFAOYSA-N 0 0 343.386 4.021 50 0 EIAARN O=C([O-])c1ccccc1[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000072165693 203179514 /nfs/dbraw/zinc/17/95/14/203179514.db2.gz DPVPMDVZDPYIJJ-INIZCTEOSA-N 0 0 348.402 4.029 50 0 EIAARN O=C([O-])c1ccccc1[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000072165694 203180049 /nfs/dbraw/zinc/18/00/49/203180049.db2.gz DPVPMDVZDPYIJJ-MRXNPFEDSA-N 0 0 348.402 4.029 50 0 EIAARN O=C(NCCc1nc2ccccc2n1C(F)F)c1ccccc1Cl ZINC000072283662 203191676 /nfs/dbraw/zinc/19/16/76/203191676.db2.gz RVWIBMPFKMKHTI-UHFFFAOYSA-N 0 0 349.768 4.057 50 0 EIAARN CCCC1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000072193658 203183455 /nfs/dbraw/zinc/18/34/55/203183455.db2.gz APMZNTQUCHYISM-UHFFFAOYSA-N 0 0 330.472 4.068 50 0 EIAARN COc1cc(C=O)ccc1OC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000072193612 203183509 /nfs/dbraw/zinc/18/35/09/203183509.db2.gz JZHVZSZKZPVDIJ-WQLSENKSSA-N 0 0 338.403 4.424 50 0 EIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(F)cc3)n[nH]2)cc1Cl ZINC000072238556 203184186 /nfs/dbraw/zinc/18/41/86/203184186.db2.gz ALHKGJKOWABHDW-UHFFFAOYSA-N 0 0 345.761 4.136 50 0 EIAARN O=C(Nc1ccc2ccccc2c1)c1cc(-c2ccccc2O)[nH]n1 ZINC000072238539 203184522 /nfs/dbraw/zinc/18/45/22/203184522.db2.gz MDJBDIIHJQXTBV-UHFFFAOYSA-N 0 0 329.359 4.188 50 0 EIAARN CC(C)(C)[C@H](O)CCNC(=O)c1sc2ccccc2c1Cl ZINC000072242739 203186115 /nfs/dbraw/zinc/18/61/15/203186115.db2.gz CHZDRMRFELPGEX-GFCCVEGCSA-N 0 0 325.861 4.082 50 0 EIAARN Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)c2)cs1 ZINC000072297632 203196543 /nfs/dbraw/zinc/19/65/43/203196543.db2.gz LSXSSVCSNNMGSR-GZBFAFLISA-N 0 0 329.469 4.145 50 0 EIAARN CCCN(C(=O)Nc1ccc(OC)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000072305979 203198371 /nfs/dbraw/zinc/19/83/71/203198371.db2.gz FDNSIVRZMTWIHZ-SJORKVTESA-N 0 0 334.460 4.143 50 0 EIAARN Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000072313524 203199783 /nfs/dbraw/zinc/19/97/83/203199783.db2.gz CLBVONFBMIZNKH-GOSISDBHSA-N 0 0 337.467 4.042 50 0 EIAARN CCCCO[C@H]1C[C@H](N(C)Cc2nnc(-c3ccccc3)o2)C1(C)C ZINC000072311070 203200166 /nfs/dbraw/zinc/20/01/66/203200166.db2.gz LDNZDFORIZAXHW-IRXDYDNUSA-N 0 0 343.471 4.152 50 0 EIAARN Cc1cccc(-c2n[nH]cc2C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000072329136 203200924 /nfs/dbraw/zinc/20/09/24/203200924.db2.gz ZKRWIYVOCVJUEX-UHFFFAOYSA-N 0 0 339.826 4.011 50 0 EIAARN O=C(N[C@H]1CCc2ccccc21)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000072328201 203201327 /nfs/dbraw/zinc/20/13/27/203201327.db2.gz ROHPAGXIYMELKR-INIZCTEOSA-N 0 0 337.810 4.147 50 0 EIAARN COc1ccc2c(ccn2CCC(=O)Nc2cccc3c2ccn3C)c1 ZINC000072324479 203201367 /nfs/dbraw/zinc/20/13/67/203201367.db2.gz ARUQYWATOOZBKS-UHFFFAOYSA-N 0 0 347.418 4.170 50 0 biogenic EIAARN COc1cccc([C@H]2C[C@H](c3ccc(C)c(C)c3)n3ncnc3N2)c1 ZINC000072332441 203202221 /nfs/dbraw/zinc/20/22/21/203202221.db2.gz NLKVUNQWEWGQCC-RTBURBONSA-N 0 0 334.423 4.050 50 0 EIAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1Cl ZINC000072331796 203202236 /nfs/dbraw/zinc/20/22/36/203202236.db2.gz ZDFOIUMEQRTKPK-UHFFFAOYSA-N 0 0 331.696 4.428 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CCCc2cn(C)c3ccccc23)c1 ZINC000072403619 203214518 /nfs/dbraw/zinc/21/45/18/203214518.db2.gz CZAVLFYASGLJSM-UHFFFAOYSA-N 0 0 349.434 4.098 50 0 EIAARN O=C1C[C@@H](c2cc(Cl)ccc2F)c2cnn(Cc3ccco3)c2N1 ZINC000072403574 203214715 /nfs/dbraw/zinc/21/47/15/203214715.db2.gz XVQPJOUOQQCHRP-LBPRGKRZSA-N 0 0 345.761 4.441 50 0 EIAARN O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2cnn(Cc3ccco3)c2N1 ZINC000072405575 203214774 /nfs/dbraw/zinc/21/47/74/203214774.db2.gz QKTJWXLNKPSMRO-LBPRGKRZSA-N 0 0 343.770 4.007 50 0 EIAARN CC(C)(O)CCc1ccc(CN2CCC[C@H]2c2nccs2)cc1 ZINC000072407037 203215391 /nfs/dbraw/zinc/21/53/91/203215391.db2.gz WLPJACFPANILSQ-KRWDZBQOSA-N 0 0 330.497 4.184 50 0 EIAARN CC(C)C(=O)Nc1cccnc1Oc1ccc2c(c1)NC(=O)CC2 ZINC000072406266 203216078 /nfs/dbraw/zinc/21/60/78/203216078.db2.gz XCEHJLMQEDAWPL-UHFFFAOYSA-N 0 0 325.368 4.003 50 0 EIAARN O[C@H]1Cc2ccccc2[C@H]1n1ccnc1-c1ccccc1-c1ccco1 ZINC000072422272 203220228 /nfs/dbraw/zinc/22/02/28/203220228.db2.gz DPAKNORGTMMRBG-PZJWPPBQSA-N 0 0 342.398 4.317 50 0 EIAARN CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCCO)o3)cc2C1 ZINC000072627903 203238612 /nfs/dbraw/zinc/23/86/12/203238612.db2.gz GEAFIAYZNKNWPR-LLVKDONJSA-N 0 0 338.498 4.034 50 0 EIAARN COc1cccc(-c2cnc(CNC(C)(C)c3nc(C)cs3)o2)c1 ZINC000072662964 203240907 /nfs/dbraw/zinc/24/09/07/203240907.db2.gz RTBRINWXZVBBDZ-UHFFFAOYSA-N 0 0 343.452 4.140 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3F)on2)cc1 ZINC000073841249 203275274 /nfs/dbraw/zinc/27/52/74/203275274.db2.gz IPLHTPAXEDDAAS-UHFFFAOYSA-N 0 0 332.281 4.320 50 0 EIAARN O=C(c1cccc2cnccc21)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000073062442 203255560 /nfs/dbraw/zinc/25/55/60/203255560.db2.gz YZEOVNWPFMIUAB-UHFFFAOYSA-N 0 0 348.421 4.469 50 0 EIAARN CC(C)N(C(=O)CCc1ncc(-c2c(F)cccc2F)o1)C1CCC1 ZINC000075145078 203307796 /nfs/dbraw/zinc/30/77/96/203307796.db2.gz QOOKPYYCQGGIAE-UHFFFAOYSA-N 0 0 348.393 4.342 50 0 EIAARN CSc1cccc(NC(=O)N[C@H](CCCO)c2ccccc2)c1 ZINC000075145539 203307914 /nfs/dbraw/zinc/30/79/14/203307914.db2.gz HTOQZZOPLHGXQD-QGZVFWFLSA-N 0 0 330.453 4.044 50 0 EIAARN O=C(Nc1ccccc1F)NC1(c2nc(C3CC3)no2)CCCCC1 ZINC000075164174 203308827 /nfs/dbraw/zinc/30/88/27/203308827.db2.gz PRUAQTATGOCWKO-UHFFFAOYSA-N 0 0 344.390 4.067 50 0 EIAARN CCCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 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O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 ZINC000076061508 203334315 /nfs/dbraw/zinc/33/43/15/203334315.db2.gz YJLLTYWMUPJGRW-INIZCTEOSA-N 0 0 349.409 4.229 50 0 EIAARN C[C@@H](NC(=O)N1CCC(OCC2CC2)CC1)c1cccc(Cl)c1 ZINC000076084561 203336645 /nfs/dbraw/zinc/33/66/45/203336645.db2.gz QSPXLRPIPYYXTE-CYBMUJFWSA-N 0 0 336.863 4.002 50 0 EIAARN CC(C)c1nc(CN(C)Cc2ccc(-c3cc[nH]n3)s2)cs1 ZINC000077301612 203378831 /nfs/dbraw/zinc/37/88/31/203378831.db2.gz CYUABXJDQFFBBA-UHFFFAOYSA-N 0 0 332.498 4.350 50 0 EIAARN COc1ccc(OC2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000077353402 203382703 /nfs/dbraw/zinc/38/27/03/203382703.db2.gz ZQWWXCQBOKFLAT-UHFFFAOYSA-N 0 0 334.419 4.291 50 0 EIAARN Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@@H]2c2ccccn2)s1 ZINC000077387529 203384546 /nfs/dbraw/zinc/38/45/46/203384546.db2.gz ULADMYFPTUCAIN-QGZVFWFLSA-N 0 0 349.459 4.491 50 0 EIAARN O=C(CSCc1ccccc1Cl)N1CCC[C@H]1c1ccccn1 ZINC000077377605 203384761 /nfs/dbraw/zinc/38/47/61/203384761.db2.gz GSBVXXBGZYLTEO-KRWDZBQOSA-N 0 0 346.883 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50 0 EIAARN O=C(c1cnc(-c2ccsc2)s1)N1CCCc2ccccc21 ZINC000112227112 204387462 /nfs/dbraw/zinc/38/74/62/204387462.db2.gz KFTJRSHUYDKAHL-UHFFFAOYSA-N 0 0 326.446 4.465 50 0 EIAARN Cc1nc(C)c(-c2nnc(NC(=O)Nc3ccccc3Cl)o2)s1 ZINC000049449981 204390261 /nfs/dbraw/zinc/39/02/61/204390261.db2.gz XKYCNMDSBFHAQA-UHFFFAOYSA-N 0 0 349.803 4.107 50 0 EIAARN COc1cccc(-n2c(SC)nnc2-c2c[nH]c3ccccc32)c1 ZINC000018141685 211983776 /nfs/dbraw/zinc/98/37/76/211983776.db2.gz KUYQCDQQLFLOTM-UHFFFAOYSA-N 0 0 336.420 4.146 50 0 EIAARN Cc1cccc(Nc2ccccc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000017325868 211965980 /nfs/dbraw/zinc/96/59/80/211965980.db2.gz IPMUVEPAMQESID-IYBDPMFKSA-N 0 0 338.451 4.296 50 0 EIAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3[nH]c2=S)cc1 ZINC000017068447 211949368 /nfs/dbraw/zinc/94/93/68/211949368.db2.gz RFJZJRXUFVFJIS-UHFFFAOYSA-N 0 0 332.450 4.125 50 0 EIAARN Cc1ccccc1CN[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000128433700 205146866 /nfs/dbraw/zinc/14/68/66/205146866.db2.gz FKRDKACRRHGBPC-MRXNPFEDSA-N 0 0 346.356 4.011 50 0 EIAARN O=C1Nc2ccccc2/C1=C(\c1nc2ccccc2[nH]1)c1ccccc1 ZINC000051091509 205176118 /nfs/dbraw/zinc/17/61/18/205176118.db2.gz BYDKQRGWKQKJBI-FMQUCBEESA-N 0 0 337.382 4.474 50 0 EIAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000015425177 211823941 /nfs/dbraw/zinc/82/39/41/211823941.db2.gz WZKYUWDBDBJUFZ-UHFFFAOYSA-N 0 0 325.339 4.024 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC ZINC000000079881 205399419 /nfs/dbraw/zinc/39/94/19/205399419.db2.gz NLIUUSGAAIVMFJ-MRXNPFEDSA-N 0 0 333.387 4.331 50 0 EIAARN CCOC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000000132281 205410200 /nfs/dbraw/zinc/41/02/00/205410200.db2.gz LBTDFKNJUIGHPH-NSHDSACASA-N 0 0 344.461 4.402 50 0 EIAARN Cc1cccc(N(C)C(=O)c2nc(-c3ccccc3)oc2C2CC2)n1 ZINC000135241009 205449744 /nfs/dbraw/zinc/44/97/44/205449744.db2.gz LRZGQZBXGPXMSL-UHFFFAOYSA-N 0 0 333.391 4.199 50 0 EIAARN CC(=O)N[C@@H](C)CCc1ccc(-c2csc([C@H]3CCCO3)n2)cc1 ZINC000136490446 205504645 /nfs/dbraw/zinc/50/46/45/205504645.db2.gz SXXMXLYOCWCRLF-SCLBCKFNSA-N 0 0 344.480 4.119 50 0 EIAARN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001011144 205575346 /nfs/dbraw/zinc/57/53/46/205575346.db2.gz KYBSQJZAMFHBIK-MHWRWJLKSA-N 0 0 343.379 4.071 50 0 EIAARN Cc1cc2oc(=O)cc(CNc3cccc(C(F)(F)F)c3)c2cc1O ZINC000002118050 205613087 /nfs/dbraw/zinc/61/30/87/205613087.db2.gz HGEKLFCDHMMMAX-UHFFFAOYSA-N 0 0 349.308 4.438 50 0 biogenic EIAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)cc1)CO3 ZINC000002159476 205613203 /nfs/dbraw/zinc/61/32/03/205613203.db2.gz GJEXXYIVHRVWKF-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN CCC(CC)C(=O)Nc1nnc(SCc2cccc(F)c2)s1 ZINC000004078273 205680026 /nfs/dbraw/zinc/68/00/26/205680026.db2.gz CBHGMEAEDWABMA-UHFFFAOYSA-N 0 0 339.461 4.344 50 0 EIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000003443737 205663380 /nfs/dbraw/zinc/66/33/80/205663380.db2.gz OILVTFBEVXUSOM-CYBMUJFWSA-N 0 0 331.799 4.257 50 0 EIAARN O=C(Cc1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 ZINC000003608566 205667382 /nfs/dbraw/zinc/66/73/82/205667382.db2.gz IIFJYQSRHFESQN-KRWDZBQOSA-N 0 0 344.252 4.185 50 0 EIAARN O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc2ccccc2c1 ZINC000004348621 205706232 /nfs/dbraw/zinc/70/62/32/205706232.db2.gz RCMZVEUBLHDDJK-UHFFFAOYSA-N 0 0 348.383 4.431 50 0 EIAARN O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2cccs2)o1 ZINC000004496877 205710234 /nfs/dbraw/zinc/71/02/34/205710234.db2.gz CYESXGXKQZRHSN-UHFFFAOYSA-N 0 0 349.412 4.058 50 0 EIAARN O=C(CCc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000004087789 205684531 /nfs/dbraw/zinc/68/45/31/205684531.db2.gz HQNFLFWQGIMHRB-UHFFFAOYSA-N 0 0 343.839 4.430 50 0 EIAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 ZINC000004305514 205697261 /nfs/dbraw/zinc/69/72/61/205697261.db2.gz VLOKMONUPUXPIS-IBGZPJMESA-N 0 0 348.471 4.282 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004314908 205700072 /nfs/dbraw/zinc/70/00/72/205700072.db2.gz DHASWEGXXIFJKR-UHFFFAOYSA-N 0 0 333.435 4.200 50 0 EIAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccs2)c1 ZINC000004854573 205725328 /nfs/dbraw/zinc/72/53/28/205725328.db2.gz ABDYGHOVGSYLMM-GOSISDBHSA-N 0 0 337.448 4.495 50 0 EIAARN COCCn1cc(NC(=O)Nc2cccc(F)c2)c2ccccc21 ZINC000005266478 205764853 /nfs/dbraw/zinc/76/48/53/205764853.db2.gz YJYAFQJGPPPUPG-UHFFFAOYSA-N 0 0 327.359 4.071 50 0 EIAARN Cc1ccc2nc(NC(=O)COc3cccc(Cl)c3)sc2c1 ZINC000005815190 205778135 /nfs/dbraw/zinc/77/81/35/205778135.db2.gz DHLRMCSIJFVJJW-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN Brc1ccccc1OCc1nc(-c2ccsc2)no1 ZINC000007478037 205834855 /nfs/dbraw/zinc/83/48/55/205834855.db2.gz HAEPJLGLUOFUKQ-UHFFFAOYSA-N 0 0 337.198 4.140 50 0 EIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(OC(F)F)c1 ZINC000007804807 205837499 /nfs/dbraw/zinc/83/74/99/205837499.db2.gz VBNLBCNADJFCEC-UHFFFAOYSA-N 0 0 347.346 4.059 50 0 EIAARN Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000007742865 205841377 /nfs/dbraw/zinc/84/13/77/205841377.db2.gz STWTWHOQVWJMOI-UHFFFAOYSA-N 0 0 326.396 4.434 50 0 EIAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000008224120 205845637 /nfs/dbraw/zinc/84/56/37/205845637.db2.gz AOKVYAFLGQYXDI-LLVKDONJSA-N 0 0 349.839 4.246 50 0 EIAARN CCOC(=O)c1csc(COc2cc(Cl)cc(Cl)c2)n1 ZINC000000120726 206208855 /nfs/dbraw/zinc/20/88/55/206208855.db2.gz UWIMFEGSDSZXIB-UHFFFAOYSA-N 0 0 332.208 4.206 50 0 EIAARN COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCC2 ZINC000000266029 206222841 /nfs/dbraw/zinc/22/28/41/206222841.db2.gz YUCLAHIHYACTCU-UHFFFAOYSA-N 0 0 347.411 4.195 50 0 EIAARN COc1ccc(CNc2ccc(Br)c(C)c2)cc1OC ZINC000000263257 206221751 /nfs/dbraw/zinc/22/17/51/206221751.db2.gz HFLZPRUWNHWUQR-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN O=C(Nc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccs1 ZINC000000569614 206243635 /nfs/dbraw/zinc/24/36/35/206243635.db2.gz ZCHFLQLAVNMLFK-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN COc1cc2sc(NC(=O)c3ccccc3OC)nc2cc1Cl ZINC000000587000 206243809 /nfs/dbraw/zinc/24/38/09/206243809.db2.gz ZKYYEHASBIIIKV-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN CC(C)(C)c1nsc(Nc2ccc(NC3CCOCC3)cc2)n1 ZINC000159186648 206229677 /nfs/dbraw/zinc/22/96/77/206229677.db2.gz DBYGJHYISUNWKU-UHFFFAOYSA-N 0 0 332.473 4.170 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1ccc(C)o1 ZINC000000442953 206241619 /nfs/dbraw/zinc/24/16/19/206241619.db2.gz PYMCUMWHDZULCD-CMDGGOBGSA-N 0 0 333.409 4.095 50 0 EIAARN COc1ccc2c(C[C@@H]3C(=O)Nc4cc(Cl)ccc43)c[nH]c2c1 ZINC000100794619 206256537 /nfs/dbraw/zinc/25/65/37/206256537.db2.gz CMBYZRLJAGAANR-HNNXBMFYSA-N 0 0 326.783 4.108 50 0 biogenic EIAARN CC(C)N(Cc1ccccc1)C(=O)c1ccccc1Br ZINC000001230663 206269163 /nfs/dbraw/zinc/26/91/63/206269163.db2.gz NHXZKFPAKHXJDK-UHFFFAOYSA-N 0 0 332.241 4.500 50 0 EIAARN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000001385920 206269578 /nfs/dbraw/zinc/26/95/78/206269578.db2.gz GLOWGQDIXUPDIH-VIFPVBQESA-N 0 0 334.206 4.361 50 0 EIAARN CCCCCC(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000002852669 206418290 /nfs/dbraw/zinc/41/82/90/206418290.db2.gz YNSGCRAYXDSTFD-UHFFFAOYSA-N 0 0 347.528 4.316 50 0 EIAARN CCOc1ccc2[nH]c(=NC(=O)OCc3ccccc3)sc2c1 ZINC000003305383 206458531 /nfs/dbraw/zinc/45/85/31/206458531.db2.gz FZWIQNSBQYJHMY-UHFFFAOYSA-N 0 0 328.393 4.444 50 0 EIAARN COc1ccc(Br)cc1C(=O)Nc1c(C)cccc1C ZINC000004689116 206494699 /nfs/dbraw/zinc/49/46/99/206494699.db2.gz XYDKQCADRDKDIB-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN COc1cc(C2(C(=O)Nc3ncc(C(C)C)s3)CC2)ccc1C ZINC000170640612 206593100 /nfs/dbraw/zinc/59/31/00/206593100.db2.gz CWKQSKAEBQITEO-UHFFFAOYSA-N 0 0 330.453 4.254 50 0 EIAARN Cn1nccc1C(=O)Nc1sccc1-c1nc2ccccc2s1 ZINC000011695090 211239152 /nfs/dbraw/zinc/23/91/52/211239152.db2.gz AFFODMMMFSLEDF-UHFFFAOYSA-N 0 0 340.433 4.011 50 0 EIAARN Cc1nc(NC(=O)CSc2ccc(Cl)cc2)ccc1Cl ZINC000010119512 211149651 /nfs/dbraw/zinc/14/96/51/211149651.db2.gz LOJOHWQGGAKFSL-UHFFFAOYSA-N 0 0 327.236 4.428 50 0 EIAARN Cc1c(C(=O)NCCOc2ccccc2)sc2nc(C)cc(C)c12 ZINC000010087934 211147374 /nfs/dbraw/zinc/14/73/74/211147374.db2.gz XFMXZNFHSVNZBK-UHFFFAOYSA-N 0 0 340.448 4.030 50 0 EIAARN Cc1nn(-c2ccccc2F)c(C)c1NC(=O)N(CC1CC1)C1CC1 ZINC000095413338 218351771 /nfs/dbraw/zinc/35/17/71/218351771.db2.gz LOFJWRJVKNOFMM-UHFFFAOYSA-N 0 0 342.418 4.035 50 0 EIAARN COc1ccc2cc(CNC(=O)COc3cccc(C)c3C)ccc2c1 ZINC000011122459 206862715 /nfs/dbraw/zinc/86/27/15/206862715.db2.gz NVNBPMBRJTZRMS-UHFFFAOYSA-N 0 0 349.430 4.160 50 0 EIAARN COc1ccc([C@@H]2CCCCN(C(=O)Cc3ccccc3F)C2)cc1 ZINC000206883663 206903872 /nfs/dbraw/zinc/90/38/72/206903872.db2.gz IRKBECOCQXASKK-GOSISDBHSA-N 0 0 341.426 4.173 50 0 EIAARN O=C(NCc1cncc(-c2ccsc2)c1)c1ccccc1Cl ZINC000206946073 206918158 /nfs/dbraw/zinc/91/81/58/206918158.db2.gz LUICVXFUGLGMSV-UHFFFAOYSA-N 0 0 328.824 4.394 50 0 EIAARN Cc1c(C(=O)Nc2cccnc2)sc2nc(-c3ccccc3)cn12 ZINC000011758017 206993573 /nfs/dbraw/zinc/99/35/73/206993573.db2.gz MDEJVGZQDAOUKQ-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN COc1cccc2c(C)cc(SCC(=O)Nc3ccccc3)nc12 ZINC000011907532 207020230 /nfs/dbraw/zinc/02/02/30/207020230.db2.gz KZOVCQJIKZVDPT-UHFFFAOYSA-N 0 0 338.432 4.283 50 0 EIAARN Cc1cc(S[C@@H](C)C(=O)NC2CCCCC2)nc2ccccc12 ZINC000011907447 207020727 /nfs/dbraw/zinc/02/07/27/207020727.db2.gz YLJSGNXWIUWHHA-AWEZNQCLSA-N 0 0 328.481 4.473 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1 ZINC000011907487 207020916 /nfs/dbraw/zinc/02/09/16/207020916.db2.gz JZDLBAWJYSZRCV-CYBMUJFWSA-N 0 0 338.432 4.363 50 0 EIAARN CO[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 ZINC000096103349 218596579 /nfs/dbraw/zinc/59/65/79/218596579.db2.gz IIWUQDYWSXZNSR-CYBMUJFWSA-N 0 0 344.358 4.276 50 0 EIAARN c1sc(CNc2nccc(-c3cccnc3)n2)nc1-c1ccccc1 ZINC000096148814 218626262 /nfs/dbraw/zinc/62/62/62/218626262.db2.gz AOBPYVAEVAYSLO-UHFFFAOYSA-N 0 0 345.431 4.274 50 0 EIAARN Cc1ccc(-c2cc(CNC(=O)Cc3ccc(Cl)cc3)no2)cc1 ZINC000012235602 207081907 /nfs/dbraw/zinc/08/19/07/207081907.db2.gz SFNLREVSOBFXKB-UHFFFAOYSA-N 0 0 340.810 4.162 50 0 EIAARN CC[C@@](CNC(=O)NCc1ccc(Cl)cc1)(OC)c1ccccc1 ZINC000096123828 218615242 /nfs/dbraw/zinc/61/52/42/218615242.db2.gz HBXLDVHUMVNUAI-IBGZPJMESA-N 0 0 346.858 4.091 50 0 EIAARN CC(C)Oc1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1 ZINC000012235348 207082364 /nfs/dbraw/zinc/08/23/64/207082364.db2.gz CNQJAZYSQMQUOG-UHFFFAOYSA-N 0 0 336.391 4.059 50 0 EIAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012435594 207144232 /nfs/dbraw/zinc/14/42/32/207144232.db2.gz VPALSXRISBWGDF-UHFFFAOYSA-N 0 0 348.324 4.306 50 0 EIAARN Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)on1 ZINC000012422378 207144478 /nfs/dbraw/zinc/14/44/78/207144478.db2.gz FMRUUZSMMDWGHR-UHFFFAOYSA-N 0 0 325.802 4.074 50 0 EIAARN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000012540525 207173409 /nfs/dbraw/zinc/17/34/09/207173409.db2.gz MEESDVCXDOAKFL-SNVBAGLBSA-N 0 0 333.313 4.073 50 0 EIAARN CO[C@@](C)(CNC(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 ZINC000096392363 218748602 /nfs/dbraw/zinc/74/86/02/218748602.db2.gz CHBMSPFSAXNTSN-CVTTXWKISA-N 0 0 329.827 4.031 50 0 EIAARN CO[C@](C)(CNC(=O)Nc1ccccc1C)c1cccc(Cl)c1 ZINC000096393233 218749107 /nfs/dbraw/zinc/74/91/07/218749107.db2.gz QTHBJFIBYRMHMF-GOSISDBHSA-N 0 0 332.831 4.332 50 0 EIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000012695723 207185436 /nfs/dbraw/zinc/18/54/36/207185436.db2.gz KPWPBEVCOYUSSI-LBPRGKRZSA-N 0 0 343.370 4.053 50 0 EIAARN O=c1oc(-c2ccc(F)cc2F)nc2cc(C(F)(F)F)ccc21 ZINC000012619787 207179479 /nfs/dbraw/zinc/17/94/79/207179479.db2.gz SXMUMQRVPZEJAZ-UHFFFAOYSA-N 0 0 327.208 4.152 50 0 EIAARN C[C@@H](NC(=O)NCc1ccccc1)c1ccc(Br)cc1 ZINC000012767858 207245782 /nfs/dbraw/zinc/24/57/82/207245782.db2.gz JAXJQSWPHAXKHA-GFCCVEGCSA-N 0 0 333.229 4.010 50 0 EIAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000012807146 207248774 /nfs/dbraw/zinc/24/87/74/207248774.db2.gz MRDZZYCQJOCRCH-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN Cc1ccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000012862792 207253393 /nfs/dbraw/zinc/25/33/93/207253393.db2.gz VFFSQUJNMVBDTL-UHFFFAOYSA-N 0 0 326.783 4.485 50 0 EIAARN CCSc1ccccc1C(=O)NCc1cc(-c2cccs2)on1 ZINC000012725387 207242831 /nfs/dbraw/zinc/24/28/31/207242831.db2.gz IIJWWXVIWRRCCD-UHFFFAOYSA-N 0 0 344.461 4.445 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Br)s1 ZINC000012909297 207262641 /nfs/dbraw/zinc/26/26/41/207262641.db2.gz YILRAZZGAHWCQR-UHFFFAOYSA-N 0 0 346.633 4.425 50 0 EIAARN CCc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000012984571 207268103 /nfs/dbraw/zinc/26/81/03/207268103.db2.gz NBMDRPWYEZUGJR-IBGZPJMESA-N 0 0 325.408 4.059 50 0 EIAARN Cc1ccc2c(c1)CCCN2CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000013058419 207282011 /nfs/dbraw/zinc/28/20/11/207282011.db2.gz PEMSPHAPSTWOPO-OAHLLOKOSA-N 0 0 342.870 4.278 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000013058041 207283313 /nfs/dbraw/zinc/28/33/13/207283313.db2.gz MCPDFMRLUQCRPO-ZDUSSCGKSA-N 0 0 344.842 4.002 50 0 EIAARN CC(=O)N(Cc1ccncc1)c1nc2c(cc(Cl)cc2C)s1 ZINC000013037060 207277964 /nfs/dbraw/zinc/27/79/64/207277964.db2.gz DNVIECCWUXPYHE-UHFFFAOYSA-N 0 0 331.828 4.206 50 0 EIAARN C[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013041454 207279391 /nfs/dbraw/zinc/27/93/91/207279391.db2.gz FDQIZQARHZNEEK-SNVBAGLBSA-N 0 0 348.233 4.081 50 0 EIAARN Cc1ccc(Oc2ccc(N[C@@H](C)c3nc(C4CC4)no3)cc2)nn1 ZINC000096437176 218817697 /nfs/dbraw/zinc/81/76/97/218817697.db2.gz WRXRMBFVBDVRQQ-LBPRGKRZSA-N 0 0 337.383 4.011 50 0 EIAARN Cc1csc([C@@H](NC(=O)N[C@@H](C)c2ccc(F)cc2)C2CC2)n1 ZINC000096437457 218818042 /nfs/dbraw/zinc/81/80/42/218818042.db2.gz XLEKPBZVRZXBJJ-NHYWBVRUSA-N 0 0 333.432 4.102 50 0 EIAARN Cc1nn(C2CCCCC2)c(C)c1NC(=O)[C@H](C)C1CCOCC1 ZINC000097229817 219000313 /nfs/dbraw/zinc/00/03/13/219000313.db2.gz UXMMWHSWFTVDES-CYBMUJFWSA-N 0 0 333.476 4.006 50 0 EIAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1nc2c(s1)CCC2 ZINC000524735766 257842325 /nfs/dbraw/zinc/84/23/25/257842325.db2.gz XSPCYLAASOMSFX-CQSZACIVSA-N 0 0 343.477 4.113 50 0 EIAARN O=C(C1=CCOCC1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000187988748 257953096 /nfs/dbraw/zinc/95/30/96/257953096.db2.gz NGUYDYSCCLHHLG-UHFFFAOYSA-N 0 0 335.447 4.458 50 0 EIAARN Cc1ncc(C(=O)N2CC[C@H]2c2cccs2)c(-c2ccccc2)n1 ZINC000426370222 257970758 /nfs/dbraw/zinc/97/07/58/257970758.db2.gz CAFJSAIGFLBUIF-INIZCTEOSA-N 0 0 335.432 4.101 50 0 EIAARN CCN(C(=O)c1cc(C(C)=O)c(C)nc1C)c1ccccc1Cl ZINC000362538418 257930976 /nfs/dbraw/zinc/93/09/76/257930976.db2.gz UZRHLNRMDDTALH-UHFFFAOYSA-N 0 0 330.815 4.221 50 0 EIAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccccc3)c12 ZINC000000082608 258047502 /nfs/dbraw/zinc/04/75/02/258047502.db2.gz AVNXQTHDGKMUFE-UHFFFAOYSA-N 0 0 336.387 4.316 50 0 biogenic EIAARN Cc1occc1-c1cc(NC(=O)N2CCC[C@H]2c2cccs2)no1 ZINC000328588794 258045621 /nfs/dbraw/zinc/04/56/21/258045621.db2.gz WPGTWKCMVBGTIR-ZDUSSCGKSA-N 0 0 343.408 4.095 50 0 EIAARN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)C(F)F)c1 ZINC000328587426 258045939 /nfs/dbraw/zinc/04/59/39/258045939.db2.gz QOZOEZCARCYPMK-DLBZAZTESA-N 0 0 331.362 4.018 50 0 EIAARN CCn1nc(C(C)C)cc1C(=O)Nc1ccc(F)cc1OC(F)F ZINC000408512992 257985460 /nfs/dbraw/zinc/98/54/60/257985460.db2.gz QQLBPOLKHLJXJU-UHFFFAOYSA-N 0 0 341.333 4.019 50 0 EIAARN Cc1c(Cl)c(=O)oc2c(C)c(OCC(=O)c3ccccc3)ccc12 ZINC000000452437 258048095 /nfs/dbraw/zinc/04/80/95/258048095.db2.gz ORBBKTMKGQNULE-UHFFFAOYSA-N 0 0 342.778 4.325 50 0 EIAARN CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499605 257999169 /nfs/dbraw/zinc/99/91/69/257999169.db2.gz LGGHTNIMFTVTOB-CSDDPEKQSA-N 0 0 345.527 4.061 50 0 EIAARN CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C)c1C ZINC000245326509 258000231 /nfs/dbraw/zinc/00/02/31/258000231.db2.gz KYPBUMIKKBOXAK-UAGQMJEPSA-N 0 0 329.440 4.166 50 0 EIAARN COc1ccc(NC(=O)c2cc3ccccc3cc2OC)c(OC)c1 ZINC000000309974 258048051 /nfs/dbraw/zinc/04/80/51/258048051.db2.gz MHKAYCGARQJFBE-UHFFFAOYSA-N 0 0 337.375 4.118 50 0 EIAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 ZINC000000107241 258047367 /nfs/dbraw/zinc/04/73/67/258047367.db2.gz SEOIUJSAJOELLT-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN O=C(CCc1ccc(O)cc1)N1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000299786184 258092964 /nfs/dbraw/zinc/09/29/64/258092964.db2.gz WFJCRFXPNUSSOO-KRWDZBQOSA-N 0 0 343.854 4.384 50 0 EIAARN CC(C)Sc1ccccc1NC(=O)N1CC(c2ccccn2)C1 ZINC000299796942 258100913 /nfs/dbraw/zinc/10/09/13/258100913.db2.gz QGWAKJHTMRFLDG-UHFFFAOYSA-N 0 0 327.453 4.213 50 0 EIAARN CCCc1ncncc1C(=O)N1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000299797204 258101094 /nfs/dbraw/zinc/10/10/94/258101094.db2.gz PEKNCBAIAYTPON-OAHLLOKOSA-N 0 0 343.858 4.102 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000000452622 258048128 /nfs/dbraw/zinc/04/81/28/258048128.db2.gz WODUNJXYYYUMCD-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc1 ZINC000013594566 258056173 /nfs/dbraw/zinc/05/61/73/258056173.db2.gz NTJAQIVRFUGDAI-CQSZACIVSA-N 0 0 345.489 4.205 50 0 EIAARN CC(C)CCC[C@H](C)NC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000032809232 258058305 /nfs/dbraw/zinc/05/83/05/258058305.db2.gz PYMUASBZNSYIDF-WMZOPIPTSA-N 0 0 342.487 4.024 50 0 EIAARN CCN(CCC(F)(F)F)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000071903040 258064167 /nfs/dbraw/zinc/06/41/67/258064167.db2.gz QGOPNVPDXUOAHP-UHFFFAOYSA-N 0 0 338.329 4.288 50 0 EIAARN CCc1cnc(CNc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)o1 ZINC000095414850 258067095 /nfs/dbraw/zinc/06/70/95/258067095.db2.gz PDSIJIOAOJIYMC-AWEZNQCLSA-N 0 0 341.455 4.030 50 0 EIAARN Cc1nnc(-c2ccc(C)c(NC(=O)N[C@@H](C)C3=CCCCC3)c2)o1 ZINC000096164825 258067699 /nfs/dbraw/zinc/06/76/99/258067699.db2.gz ZTHRKAATBNQUDP-ZDUSSCGKSA-N 0 0 340.427 4.364 50 0 EIAARN COc1ccc(C2(CNC(=O)c3cccn3C3CC3)CCCC2)cc1 ZINC000299760168 258077590 /nfs/dbraw/zinc/07/75/90/258077590.db2.gz HOZAMZWCGPSDSL-UHFFFAOYSA-N 0 0 338.451 4.073 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)cc(C)n1 ZINC000299762016 258078306 /nfs/dbraw/zinc/07/83/06/258078306.db2.gz UKOIRKIITHHQDW-MRXNPFEDSA-N 0 0 328.843 4.372 50 0 EIAARN CC[C@H](c1cccnc1)N(C)C(=O)Nc1cc(C)nn1C1CCCC1 ZINC000299761820 258078348 /nfs/dbraw/zinc/07/83/48/258078348.db2.gz YMNKXRZKVZJIDT-QGZVFWFLSA-N 0 0 341.459 4.317 50 0 EIAARN CC(C)CCn1nccc1NC(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000299761421 258078766 /nfs/dbraw/zinc/07/87/66/258078766.db2.gz RHOUEKYHLYFYKT-MRXNPFEDSA-N 0 0 330.407 4.047 50 0 EIAARN Cc1ccsc1-c1cccc(C(=O)N(C)C[C@@H]2CCCCO2)c1 ZINC000299765566 258080683 /nfs/dbraw/zinc/08/06/83/258080683.db2.gz BTTHKDSFGKAIAN-KRWDZBQOSA-N 0 0 329.465 4.365 50 0 EIAARN CC(C)c1ccc(N2CCN(Cc3ccccc3F)[C@H](C)C2=O)cc1 ZINC000037275532 132392981 /nfs/dbraw/zinc/39/29/81/132392981.db2.gz WXZPDCHMGHMTEX-MRXNPFEDSA-N 0 0 340.442 4.186 50 0 EIAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1C[C@@H](C)C[C@H](C)C1 ZINC000040216648 132399224 /nfs/dbraw/zinc/39/92/24/132399224.db2.gz KDGWSTQSEJCRHX-GJZGRUSLSA-N 0 0 334.467 4.495 50 0 EIAARN COC(=O)c1scc2c1nc(C(F)(F)F)cc2N1CCCCC1 ZINC000000169708 135646227 /nfs/dbraw/zinc/64/62/27/135646227.db2.gz ZODJWYOWVDXMHY-UHFFFAOYSA-N 0 0 344.358 4.092 50 0 EIAARN Cc1ccc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@H](C)C4)nc3C2)cc1 ZINC000002400966 135657509 /nfs/dbraw/zinc/65/75/09/135657509.db2.gz MFQYKKPLFPHEMD-SOLBZPMBSA-N 0 0 349.478 4.180 50 0 EIAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)C1CCCC1 ZINC000005136161 135669750 /nfs/dbraw/zinc/66/97/50/135669750.db2.gz WGVNWFDNUKRULW-UHFFFAOYSA-N 0 0 338.407 4.001 50 0 EIAARN CCN1CCSc2ccc(C(=O)Nc3ccc(C)cc3C)cc21 ZINC000006802603 135676867 /nfs/dbraw/zinc/67/68/67/135676867.db2.gz UJESLQPXNYPJEL-UHFFFAOYSA-N 0 0 326.465 4.488 50 0 EIAARN Cc1cccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)C[C@@H]2C)c1 ZINC000006804057 135677240 /nfs/dbraw/zinc/67/72/40/135677240.db2.gz PULQGIOBTHNINJ-HNNXBMFYSA-N 0 0 343.858 4.391 50 0 EIAARN CO[C@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1Cl ZINC000121913905 221971554 /nfs/dbraw/zinc/97/15/54/221971554.db2.gz PHUPERYXXAGNLC-QGZVFWFLSA-N 0 0 329.783 4.204 50 0 EIAARN C[C@H](C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccccc1 ZINC000182572680 534297695 /nfs/dbraw/zinc/29/76/95/534297695.db2.gz AZQLDDNVMREYFE-ZDUSSCGKSA-N 0 0 332.407 4.091 50 0 EIAARN CCSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 ZINC000100643658 517749139 /nfs/dbraw/zinc/74/91/39/517749139.db2.gz PKNJGCOYTNRTQF-VXGBXAGGSA-N 0 0 346.477 4.088 50 0 EIAARN CCc1ccc(OCCCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000001773429 517847948 /nfs/dbraw/zinc/84/79/48/517847948.db2.gz MEAMOHRGBKTJSA-UHFFFAOYSA-N 0 0 343.423 4.064 50 0 EIAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 ZINC000058160879 518198658 /nfs/dbraw/zinc/19/86/58/518198658.db2.gz KSBCFFWZULJDPG-UHFFFAOYSA-N 0 0 334.394 4.143 50 0 EIAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCCCC1 ZINC000006700972 518200255 /nfs/dbraw/zinc/20/02/55/518200255.db2.gz IBKDWRSVVXFYHU-UHFFFAOYSA-N 0 0 336.435 4.135 50 0 EIAARN CC(C)(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000004841224 518736290 /nfs/dbraw/zinc/73/62/90/518736290.db2.gz JUSUNOBGWKKTCV-UHFFFAOYSA-N 0 0 347.484 4.041 50 0 EIAARN CC(C)Oc1ccc(NC(=O)N(Cc2ccccn2)C2CC2)c(F)c1 ZINC000052267264 519780631 /nfs/dbraw/zinc/78/06/31/519780631.db2.gz VMLFJDMBJWDPEL-UHFFFAOYSA-N 0 0 343.402 4.204 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)N(C)CCC[C@@H]1CCCO1 ZINC000299764308 523786569 /nfs/dbraw/zinc/78/65/69/523786569.db2.gz RKYNOWKNCHZKQP-MRXNPFEDSA-N 0 0 348.487 4.416 50 0 EIAARN COc1ccc(CCC(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 ZINC000244909784 523925397 /nfs/dbraw/zinc/92/53/97/523925397.db2.gz AVHRWXFDQWOCOK-HNNXBMFYSA-N 0 0 337.419 4.121 50 0 EIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCCc1ccccc1 ZINC000002738360 525940737 /nfs/dbraw/zinc/94/07/37/525940737.db2.gz XRBFODXBZXCQRR-OAHLLOKOSA-N 0 0 331.843 4.246 50 0 EIAARN Cc1ccc(C(=O)N2c3ccccc3O[C@@H](c3ccccc3)C2=O)cc1 ZINC000000069377 526143173 /nfs/dbraw/zinc/14/31/73/526143173.db2.gz UGBCOLSYAACMKM-FQEVSTJZSA-N 0 0 343.382 4.302 50 0 EIAARN CSc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000004821145 526153530 /nfs/dbraw/zinc/15/35/30/526153530.db2.gz AYIDVAIDPGBCCR-UHFFFAOYSA-N 0 0 342.464 4.047 50 0 EIAARN O=C(c1ccc2ncsc2c1)N(CCc1cccs1)C1CC1 ZINC000096120299 526739937 /nfs/dbraw/zinc/73/99/37/526739937.db2.gz SODSAUDJIPNQNZ-UHFFFAOYSA-N 0 0 328.462 4.205 50 0 EIAARN CCN(CC)C(=O)Cc1ccc(NC(=O)c2occc2C(C)C)cc1 ZINC000225809952 535446893 /nfs/dbraw/zinc/44/68/93/535446893.db2.gz SZSSSMHNQDMENX-UHFFFAOYSA-N 0 0 342.439 4.066 50 0 EIAARN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000228345622 536008913 /nfs/dbraw/zinc/00/89/13/536008913.db2.gz YEYLITBABVPTKD-HDMKZQKVSA-N 0 0 339.483 4.472 50 0 EIAARN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1oc(C3CC3)nc1C)CCC2 ZINC000241926447 536156056 /nfs/dbraw/zinc/15/60/56/536156056.db2.gz UGGRNYWEEANOHN-ZDUSSCGKSA-N 0 0 345.468 4.029 50 0 EIAARN CN(Cc1sc2ccccc2c1Cl)C(=O)[C@H]1CCC[C@H](O)C1 ZINC000218804936 536487528 /nfs/dbraw/zinc/48/75/28/536487528.db2.gz FPFPXYQBMHBKJH-RYUDHWBXSA-N 0 0 337.872 4.064 50 0 EIAARN COc1cccc(-c2cccc(C(=O)N(C)[C@H](C)c3ccon3)c2)c1 ZINC000214994818 537065137 /nfs/dbraw/zinc/06/51/37/537065137.db2.gz OUYJWTRBEQRISP-CQSZACIVSA-N 0 0 336.391 4.183 50 0 EIAARN Cc1cccc(CNC(=O)CSCc2c(F)cccc2Cl)c1 ZINC000013632338 563705164 /nfs/dbraw/zinc/70/51/64/563705164.db2.gz AVTJQWKXMRMSLL-UHFFFAOYSA-N 0 0 337.847 4.337 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C=C1SC(=S)NC1=O ZINC000013879240 563728289 /nfs/dbraw/zinc/72/82/89/563728289.db2.gz GZGZRNVWFMRFIZ-XFFZJAGNSA-N 0 0 335.841 4.163 50 0 EIAARN C[C@@H](NC(=O)OCc1ccccc1)c1ccc(Br)cc1 ZINC000095495749 563976988 /nfs/dbraw/zinc/97/69/88/563976988.db2.gz BVJWRQFRIPSXMB-GFCCVEGCSA-N 0 0 334.213 4.437 50 0 EIAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccoc1 ZINC000047089938 564025678 /nfs/dbraw/zinc/02/56/78/564025678.db2.gz CCHFKQBBGNLATE-SNVBAGLBSA-N 0 0 327.211 4.489 50 0 EIAARN C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007108228 564104931 /nfs/dbraw/zinc/10/49/31/564104931.db2.gz YLWSPVREOWBBIS-JTQLQIEISA-N 0 0 344.238 4.444 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)Nc1ccccc1Br ZINC000013745456 564111982 /nfs/dbraw/zinc/11/19/82/564111982.db2.gz ZAJGPRTUGRCCGB-UHFFFAOYSA-N 0 0 339.620 4.424 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)C3SCCS3)n2)c(C)c1 ZINC000089614511 564112658 /nfs/dbraw/zinc/11/26/58/564112658.db2.gz RUBHRUNNJDTSJP-UHFFFAOYSA-N 0 0 336.507 4.172 50 0 EIAARN O=C(Nc1ncccc1OC(F)F)c1cc(Cl)ccc1Cl ZINC000057698288 564155485 /nfs/dbraw/zinc/15/54/85/564155485.db2.gz YAKCGJWPYFTGJH-UHFFFAOYSA-N 0 0 333.121 4.242 50 0 EIAARN CC[N@H+](CC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000003289418 564156995 /nfs/dbraw/zinc/15/69/95/564156995.db2.gz RWHWWCSTRFTGSN-UHFFFAOYSA-N 0 0 339.277 4.042 50 0 EIAARN O=C(CF)N[C@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl ZINC000000041261 563212656 /nfs/dbraw/zinc/21/26/56/563212656.db2.gz XBEIDLPEMRIGOJ-ZDUSSCGKSA-N 0 0 349.620 4.034 50 0 EIAARN Cc1cccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)n1 ZINC000000459773 563325871 /nfs/dbraw/zinc/32/58/71/563325871.db2.gz OSSDRAKOSZEOMP-UHFFFAOYSA-N 0 0 325.195 4.023 50 0 EIAARN C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000003148974 563474741 /nfs/dbraw/zinc/47/47/41/563474741.db2.gz DQQURHNJTWFSNQ-JTQLQIEISA-N 0 0 330.236 4.033 50 0 EIAARN COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1ccccc1)N2 ZINC000000035137 563211916 /nfs/dbraw/zinc/21/19/16/563211916.db2.gz PTLIOFQMZLWJCC-RTBURBONSA-N 0 0 325.408 4.492 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 ZINC000000035938 563212005 /nfs/dbraw/zinc/21/20/05/563212005.db2.gz SCIMXCMXGZZKTB-UHFFFAOYSA-N 0 0 333.409 4.039 50 0 in-vitro EIAARN CCOc1cc(C=O)cc(Br)c1OCc1ccccc1 ZINC000000037138 563212092 /nfs/dbraw/zinc/21/20/92/563212092.db2.gz RWFBRUQCEROCJA-UHFFFAOYSA-N 0 0 335.197 4.239 50 0 EIAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000000039244 563212679 /nfs/dbraw/zinc/21/26/79/563212679.db2.gz HLLZGNVMKWJAHG-IBGZPJMESA-N 0 0 347.418 4.197 50 0 EIAARN COc1ccc(-c2c(C)c3cc(Cl)ccc3oc2=O)cc1OC ZINC000000057820 563213711 /nfs/dbraw/zinc/21/37/11/563213711.db2.gz LHOZADRUULOPRP-UHFFFAOYSA-N 0 0 330.767 4.439 50 0 biogenic EIAARN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000000064038 563214042 /nfs/dbraw/zinc/21/40/42/563214042.db2.gz JXOMQSNONJXEJR-DHZHZOJOSA-N 0 0 329.783 4.169 50 0 EIAARN COc1cc2c(cc1OC)C(c1c(C)onc1-c1ccccc1)=NCC2 ZINC000000068244 563214754 /nfs/dbraw/zinc/21/47/54/563214754.db2.gz GSNGPIFGSDKLIH-UHFFFAOYSA-N 0 0 348.402 4.061 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)c2ccc(F)cc2)s1 ZINC000000072472 563215836 /nfs/dbraw/zinc/21/58/36/563215836.db2.gz BSMBDMZAVQVAOY-UHFFFAOYSA-N 0 0 332.425 4.368 50 0 EIAARN Clc1ccc(Cn2nnc(-c3ccccc3Cl)n2)cc1Cl ZINC000000077416 563217293 /nfs/dbraw/zinc/21/72/93/563217293.db2.gz ZWDILQUEQUOXOE-UHFFFAOYSA-N 0 0 339.613 4.349 50 0 EIAARN CSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)Nc1ccccc1-2 ZINC000000086218 563219952 /nfs/dbraw/zinc/21/99/52/563219952.db2.gz UKUYZKQYYVGLGL-INIZCTEOSA-N 0 0 336.420 4.072 50 0 EIAARN Cc1sc2ncnc(SCC(=O)c3ccccc3F)c2c1C ZINC000000090031 563221869 /nfs/dbraw/zinc/22/18/69/563221869.db2.gz JKGGYIUEZILMRV-UHFFFAOYSA-N 0 0 332.425 4.422 50 0 EIAARN O=C1CS[C@H](c2cccnc2)N1c1ccc(Cl)cc1Cl ZINC000000099541 563225567 /nfs/dbraw/zinc/22/55/67/563225567.db2.gz SMIUVUVGXOZUFW-CQSZACIVSA-N 0 0 325.220 4.167 50 0 EIAARN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000000101261 563226000 /nfs/dbraw/zinc/22/60/00/563226000.db2.gz YTACCJMZGUDUFH-UHFFFAOYSA-N 0 0 336.627 4.448 50 0 EIAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 ZINC000000104482 563226929 /nfs/dbraw/zinc/22/69/29/563226929.db2.gz YJNKDFDUTXAYNJ-FQEVSTJZSA-N 0 0 330.387 4.466 50 0 EIAARN CC(=O)Oc1ccc(C(=O)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000000104997 563227147 /nfs/dbraw/zinc/22/71/47/563227147.db2.gz MVPUUVPCHMHFOY-UHFFFAOYSA-N 0 0 340.404 4.091 50 0 EIAARN Cc1nc(-c2ccncc2)ncc1-c1nsc(Nc2ccccc2)n1 ZINC000000108281 563229058 /nfs/dbraw/zinc/22/90/58/563229058.db2.gz VBMLQWDCEXAYCY-UHFFFAOYSA-N 0 0 346.419 4.109 50 0 EIAARN COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000119711 563233741 /nfs/dbraw/zinc/23/37/41/563233741.db2.gz FTNCGCKNCUXZGZ-SNVBAGLBSA-N 0 0 340.206 4.408 50 0 EIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)cc1 ZINC000000122831 563235371 /nfs/dbraw/zinc/23/53/71/563235371.db2.gz IHTYUXMCBKVTBX-INIZCTEOSA-N 0 0 345.240 4.426 50 0 EIAARN CSc1c2c(nc3cc(-c4cccs4)nn31)CC(C)(C)CC2=O ZINC000000125205 563236569 /nfs/dbraw/zinc/23/65/69/563236569.db2.gz OOJCKJNCHHYZEY-UHFFFAOYSA-N 0 0 343.477 4.335 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 ZINC000000127545 563237339 /nfs/dbraw/zinc/23/73/39/563237339.db2.gz PFSNGPDENSYBKM-CQSZACIVSA-N 0 0 334.375 4.023 50 0 EIAARN CC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000000129194 563237577 /nfs/dbraw/zinc/23/75/77/563237577.db2.gz LFCXOCPOMLPGNR-UHFFFAOYSA-N 0 0 331.799 4.177 50 0 EIAARN COc1cc(NC(=O)c2ccc(Cl)cc2)c(OC)cc1Cl ZINC000000128501 563237614 /nfs/dbraw/zinc/23/76/14/563237614.db2.gz CPPLAJYVWHGLLY-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1Cl ZINC000000130199 563238087 /nfs/dbraw/zinc/23/80/87/563238087.db2.gz QMXLWGVUFFVIPT-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN O=C(Nc1ccc2nccnc2c1)c1csc(-c2ccccc2)n1 ZINC000000131554 563238819 /nfs/dbraw/zinc/23/88/19/563238819.db2.gz VVRTYIKCYMKHES-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN CCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000000137016 563240790 /nfs/dbraw/zinc/24/07/90/563240790.db2.gz WRGLQIOXVKNJIP-UHFFFAOYSA-N 0 0 341.407 4.150 50 0 EIAARN Nc1cc(Cc2cc(N)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000000138152 563241234 /nfs/dbraw/zinc/24/12/34/563241234.db2.gz OMCQWROUUILBSU-UHFFFAOYSA-N 0 0 334.263 4.479 50 0 EIAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000000154169 563247078 /nfs/dbraw/zinc/24/70/78/563247078.db2.gz YSKJKRDGHBWSAQ-UHFFFAOYSA-N 0 0 339.460 4.439 50 0 EIAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1 ZINC000000160545 563248933 /nfs/dbraw/zinc/24/89/33/563248933.db2.gz BOSXNAOMQROTFG-UHFFFAOYSA-N 0 0 346.411 4.008 50 0 EIAARN CCOC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1 ZINC000000160608 563249022 /nfs/dbraw/zinc/24/90/22/563249022.db2.gz PYFOTIFZYCPBDQ-UHFFFAOYSA-N 0 0 338.432 4.195 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000000179658 563253735 /nfs/dbraw/zinc/25/37/35/563253735.db2.gz RWZNOZGZCSAFGT-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN CCOc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 ZINC000000193748 563257205 /nfs/dbraw/zinc/25/72/05/563257205.db2.gz WIEMMWUTFXAPGM-GJZGRUSLSA-N 0 0 347.480 4.190 50 0 EIAARN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 ZINC000000240547 563265043 /nfs/dbraw/zinc/26/50/43/563265043.db2.gz MCXUFPCWIDDJTB-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000000247483 563266194 /nfs/dbraw/zinc/26/61/94/563266194.db2.gz DTSJQISRCZVKST-NRFANRHFSA-N 0 0 344.414 4.046 50 0 EIAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000000265000 563268654 /nfs/dbraw/zinc/26/86/54/563268654.db2.gz CNSCXCLIQHRYPM-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN COc1ccc(-c2nnc(SC(=O)OCc3ccccc3)o2)cc1 ZINC000000267292 563268850 /nfs/dbraw/zinc/26/88/50/563268850.db2.gz UUDCBKXGNKSAQE-UHFFFAOYSA-N 0 0 342.376 4.174 50 0 EIAARN O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccccc1Cl ZINC000000284367 563272680 /nfs/dbraw/zinc/27/26/80/563272680.db2.gz WYPBZWTVZZGYDM-JXMROGBWSA-N 0 0 334.803 4.006 50 0 EIAARN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 ZINC000000288830 563273470 /nfs/dbraw/zinc/27/34/70/563273470.db2.gz PUIUZUHICNWZPJ-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1cccc(NC(=O)COc2ccc(Br)cc2)c1C ZINC000000299160 563275430 /nfs/dbraw/zinc/27/54/30/563275430.db2.gz WWHGGUOFJJMGKL-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Cc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 ZINC000000300008 563275646 /nfs/dbraw/zinc/27/56/46/563275646.db2.gz XRFQKXXHOKBDBB-UHFFFAOYSA-N 0 0 327.391 4.381 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1cc(Cl)ccc1Cl ZINC000000306241 563277812 /nfs/dbraw/zinc/27/78/12/563277812.db2.gz CSNIZAFXWFXDKS-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000000309439 563279430 /nfs/dbraw/zinc/27/94/30/563279430.db2.gz FWDOPOYQPMEVTA-UHFFFAOYSA-N 0 0 346.455 4.374 50 0 EIAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)OC12CCCCC2 ZINC000000309532 563279898 /nfs/dbraw/zinc/27/98/98/563279898.db2.gz DYDMGFKZIZDQDB-LLVKDONJSA-N 0 0 342.222 4.198 50 0 EIAARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)C1CC1)CCCC2 ZINC000000312372 563281343 /nfs/dbraw/zinc/28/13/43/563281343.db2.gz AXMHFVLPMYVLSU-UHFFFAOYSA-N 0 0 340.448 4.228 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2cccc3c(C)cc(C)nc23)cc1 ZINC000000314466 563282009 /nfs/dbraw/zinc/28/20/09/563282009.db2.gz BQMKEWNYLUXDKI-UHFFFAOYSA-N 0 0 349.459 4.287 50 0 aggregator EIAARN Cc1ccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000000315323 563282393 /nfs/dbraw/zinc/28/23/93/563282393.db2.gz KMLPXMXPVHZEOH-UHFFFAOYSA-N 0 0 339.508 4.131 50 0 EIAARN COc1cc(Br)ccc1NC(=O)/C=C/c1ccccc1 ZINC000000315994 563282774 /nfs/dbraw/zinc/28/27/74/563282774.db2.gz XQSGMUXDFGGTRR-JXMROGBWSA-N 0 0 332.197 4.110 50 0 EIAARN CSc1nnc2c(n1)O[C@@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 ZINC000000335930 563285349 /nfs/dbraw/zinc/28/53/49/563285349.db2.gz KDHXGZJLEYCMTG-WBMJQRKESA-N 0 0 340.452 4.137 50 0 EIAARN CC(C)(C)c1ccc(CSc2nnnn2-c2ccccc2F)cc1 ZINC000000359353 563292589 /nfs/dbraw/zinc/29/25/89/563292589.db2.gz WMIZTUQKVAYYJT-UHFFFAOYSA-N 0 0 342.443 4.391 50 0 EIAARN O=C(Nc1ccccc1)c1ccccc1OC(=O)c1ccccc1F ZINC000000363927 563294965 /nfs/dbraw/zinc/29/49/65/563294965.db2.gz QWZNLJXWGFQHOR-UHFFFAOYSA-N 0 0 335.334 4.297 50 0 EIAARN COc1cccc(C(=O)Nc2nc3c(cccc3Cl)s2)c1OC ZINC000000364158 563295384 /nfs/dbraw/zinc/29/53/84/563295384.db2.gz JFHSYXCXJLYYRW-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000000364852 563295649 /nfs/dbraw/zinc/29/56/49/563295649.db2.gz HVXIQOLGYJSEDE-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC000000365001 563296030 /nfs/dbraw/zinc/29/60/30/563296030.db2.gz IVCGOEBBXRGNLH-UHFFFAOYSA-N 0 0 331.371 4.179 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000000367078 563296689 /nfs/dbraw/zinc/29/66/89/563296689.db2.gz CJLRWBWOERDTNR-UHFFFAOYSA-N 0 0 337.419 4.314 50 0 EIAARN Cc1cc(C)n(C(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)n1 ZINC000000376029 563299091 /nfs/dbraw/zinc/29/90/91/563299091.db2.gz LWPAONGDUZOBRX-UHFFFAOYSA-N 0 0 331.375 4.305 50 0 EIAARN CC(C)Sc1nncc(-c2cc3c(c(SC(C)C)n2)CCC3)n1 ZINC000000381720 563299680 /nfs/dbraw/zinc/29/96/80/563299680.db2.gz ZHYUELQMZBSICA-UHFFFAOYSA-N 0 0 346.525 4.423 50 0 EIAARN Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)n1 ZINC000000381966 563300064 /nfs/dbraw/zinc/30/00/64/563300064.db2.gz RWGMDOAOBUVNIK-LJQANCHMSA-N 0 0 333.366 4.300 50 0 EIAARN COc1ccc(CSCC(=O)Nc2ccccc2SC)cc1 ZINC000000382743 563300710 /nfs/dbraw/zinc/30/07/10/563300710.db2.gz FRAJQPFWPDNJDV-UHFFFAOYSA-N 0 0 333.478 4.289 50 0 EIAARN CCOc1cc(Cl)c(NC(=O)Cc2ccccc2)cc1OCC ZINC000000387901 563303448 /nfs/dbraw/zinc/30/34/48/563303448.db2.gz HSUIJGDVEFVVMG-UHFFFAOYSA-N 0 0 333.815 4.319 50 0 EIAARN O=C(CSc1ncnc2sc3c(c21)CCC3)c1ccccc1 ZINC000000387220 563303562 /nfs/dbraw/zinc/30/35/62/563303562.db2.gz AAACRICHUXXDSQ-UHFFFAOYSA-N 0 0 326.446 4.155 50 0 EIAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000000413173 563308281 /nfs/dbraw/zinc/30/82/81/563308281.db2.gz VJJCIAONDZHRNJ-UHFFFAOYSA-N 0 0 347.827 4.186 50 0 EIAARN Cc1cccc(-n2ncc3c2ncnc3NCCC2=CCCCC2)c1 ZINC000000426476 563310046 /nfs/dbraw/zinc/31/00/46/563310046.db2.gz JQBUSCASPGAGBD-UHFFFAOYSA-N 0 0 333.439 4.426 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1noc2c1CCCCC2 ZINC000000426576 563310655 /nfs/dbraw/zinc/31/06/55/563310655.db2.gz PQEQGYHNRPSIEI-UHFFFAOYSA-N 0 0 340.301 4.094 50 0 EIAARN COc1ccccc1Cc1noc(-c2ccc(Br)cc2)n1 ZINC000000442848 563314785 /nfs/dbraw/zinc/31/47/85/563314785.db2.gz FSNIFMDTXWWQQK-UHFFFAOYSA-N 0 0 345.196 4.099 50 0 EIAARN CCCC(=O)Nc1ccc(NC(=O)COc2ccc(CC)cc2)cc1 ZINC000000444690 563316411 /nfs/dbraw/zinc/31/64/11/563316411.db2.gz WEGHMKTUKKFSOY-UHFFFAOYSA-N 0 0 340.423 4.005 50 0 EIAARN C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccccc4)cc3c2C1 ZINC000000444851 563316623 /nfs/dbraw/zinc/31/66/23/563316623.db2.gz DMGILCCXMGQVMS-ZDUSSCGKSA-N 0 0 341.432 4.358 50 0 EIAARN C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccccc4)cc3c2C1 ZINC000000444852 563316668 /nfs/dbraw/zinc/31/66/68/563316668.db2.gz DMGILCCXMGQVMS-CYBMUJFWSA-N 0 0 341.432 4.358 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cn2)cc1 ZINC000000446377 563317403 /nfs/dbraw/zinc/31/74/03/563317403.db2.gz OFIJBCSFPAQJIR-UHFFFAOYSA-N 0 0 333.229 4.394 50 0 EIAARN O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccccc1 ZINC000000447681 563317997 /nfs/dbraw/zinc/31/79/97/563317997.db2.gz JFRKFXVKYNVKKC-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN COc1ccc(CCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000450372 563319256 /nfs/dbraw/zinc/31/92/56/563319256.db2.gz FEBKVBSVIFLINY-ZDUSSCGKSA-N 0 0 349.883 4.188 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 ZINC000000450432 563319325 /nfs/dbraw/zinc/31/93/25/563319325.db2.gz WIUHFQYMRLVZIC-VIFPVBQESA-N 0 0 326.179 4.105 50 0 EIAARN COc1ccc(OC)c([C@H](C)NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000000451388 563320291 /nfs/dbraw/zinc/32/02/91/563320291.db2.gz JJNQPZGCWQVOCK-GJZGRUSLSA-N 0 0 327.424 4.075 50 0 EIAARN Cc1ccccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000000452312 563321387 /nfs/dbraw/zinc/32/13/87/563321387.db2.gz GNEFYNFGNIHGSE-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1Cl ZINC000000452406 563321409 /nfs/dbraw/zinc/32/14/09/563321409.db2.gz XVJXRMKVYGYETC-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000000462955 563327231 /nfs/dbraw/zinc/32/72/31/563327231.db2.gz WZDSXYNIWUFFEH-UHFFFAOYSA-N 0 0 339.420 4.030 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000000464977 563328051 /nfs/dbraw/zinc/32/80/51/563328051.db2.gz NCEZRNPRCORQAF-GFCCVEGCSA-N 0 0 330.428 4.466 50 0 EIAARN CC(C)NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000467270 563329013 /nfs/dbraw/zinc/32/90/13/563329013.db2.gz YQLVADFPWMSRRH-UHFFFAOYSA-N 0 0 328.195 4.304 50 0 EIAARN O=C(CSc1ccccn1)NC(c1ccccc1)c1ccccc1 ZINC000000468611 563330069 /nfs/dbraw/zinc/33/00/69/563330069.db2.gz YZIMKZZUGFXRQS-UHFFFAOYSA-N 0 0 334.444 4.080 50 0 EIAARN Brc1ccc(-c2noc(CCc3ccccc3)n2)cc1 ZINC000000468639 563330096 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ZINC000004094504 563494268 /nfs/dbraw/zinc/49/42/68/563494268.db2.gz MTQITLUMPNUEFZ-OAHLLOKOSA-N 0 0 344.842 4.082 50 0 EIAARN COc1ccc(/C=C/c2ccc3cccc(O)c3n2)c(OC)c1OC ZINC000004140896 563495933 /nfs/dbraw/zinc/49/59/33/563495933.db2.gz VBCORLLIMLGHGR-DHZHZOJOSA-N 0 0 337.375 4.137 50 0 EIAARN O=C(C[C@@](O)(c1ccccc1)C(F)(F)C(F)F)c1cccs1 ZINC000004197923 563497687 /nfs/dbraw/zinc/49/76/87/563497687.db2.gz NQEQEWWIEDXSKV-CQSZACIVSA-N 0 0 332.318 4.109 50 0 EIAARN Cc1cc(-c2ncccc2NC(=O)c2sc(C)nc2C)cs1 ZINC000186897701 563501772 /nfs/dbraw/zinc/50/17/72/563501772.db2.gz WVZHASQQDVJSAJ-UHFFFAOYSA-N 0 0 329.450 4.444 50 0 EIAARN O=C(NCCSCc1ccc(Cl)cc1)c1c(F)cccc1F ZINC000004390591 563502235 /nfs/dbraw/zinc/50/22/35/563502235.db2.gz QYVZVIUPJXGGFL-UHFFFAOYSA-N 0 0 341.810 4.281 50 0 EIAARN COc1ccccc1Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O ZINC000004412643 563502462 /nfs/dbraw/zinc/50/24/62/563502462.db2.gz LSMXTIRUEKAOPB-HNNXBMFYSA-N 0 0 345.402 4.142 50 0 EIAARN C[C@H]([NH2+]C[C@H](O)COC1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC000004477670 563503200 /nfs/dbraw/zinc/50/32/00/563503200.db2.gz HXFPAKGMNBNTBT-VHBXLISGSA-N 0 0 333.516 4.320 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1O ZINC000004512096 563503978 /nfs/dbraw/zinc/50/39/78/563503978.db2.gz YWTWYAIVGOFHLW-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN c1ccc2c(c1)cccc2-c1nn2c(nnc2-c2cccnc2)s1 ZINC000004511745 563503994 /nfs/dbraw/zinc/50/39/94/563503994.db2.gz UUYGPKBYYRKOMO-UHFFFAOYSA-N 0 0 329.388 4.068 50 0 EIAARN Cn1cnnc1-c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004526185 563504244 /nfs/dbraw/zinc/50/42/44/563504244.db2.gz SXSLWQGTRVLPLC-UHFFFAOYSA-N 0 0 334.423 4.032 50 0 EIAARN Clc1cccc(/C=C/c2nn3c(nnc3-c3cccnc3)s2)c1 ZINC000004540204 563504641 /nfs/dbraw/zinc/50/46/41/563504641.db2.gz NKLGVFDKRPCRCK-VOTSOKGWSA-N 0 0 339.811 4.072 50 0 EIAARN Clc1cccc(-c2nnc3sc(Cc4ccccc4)nn32)c1 ZINC000004664966 563507212 /nfs/dbraw/zinc/50/72/12/563507212.db2.gz WXUVITAYTMYMOR-UHFFFAOYSA-N 0 0 326.812 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328.755 4.372 50 0 EIAARN Cc1c(C(=O)Nc2ccccc2Cl)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000004851497 563513625 /nfs/dbraw/zinc/51/36/25/563513625.db2.gz DMROTABFISTKQW-ZDUSSCGKSA-N 0 0 333.815 4.500 50 0 EIAARN CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)c(C)c1 ZINC000004884430 563514641 /nfs/dbraw/zinc/51/46/41/563514641.db2.gz IDJXQKLWJMWKRF-UHFFFAOYSA-N 0 0 348.446 4.397 50 0 EIAARN CC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C ZINC000005049572 563519843 /nfs/dbraw/zinc/51/98/43/563519843.db2.gz ZXDUXYZOAQGEIW-UHFFFAOYSA-N 0 0 336.313 4.225 50 0 EIAARN Cc1nn2c(nc(C)cc2NCc2cccnc2)c1-c1ccc(C)cc1 ZINC000005244068 563524059 /nfs/dbraw/zinc/52/40/59/563524059.db2.gz HTFBQOOCCCCUIM-UHFFFAOYSA-N 0 0 343.434 4.329 50 0 EIAARN CCc1nn2c(nc(C)cc2NCc2cccnc2)c1-c1ccccc1 ZINC000005265586 563524883 /nfs/dbraw/zinc/52/48/83/563524883.db2.gz AYZMTQZPSBOBOP-UHFFFAOYSA-N 0 0 343.434 4.274 50 0 EIAARN Clc1ccc(-c2nnc3sc(-c4ccccn4)nn32)c(Cl)c1 ZINC000005477641 563534314 /nfs/dbraw/zinc/53/43/14/563534314.db2.gz 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/nfs/dbraw/zinc/55/00/82/563550082.db2.gz WPNVLNPYVNXQQI-YYAZDPENSA-N 0 0 349.474 4.206 50 0 EIAARN COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 ZINC000005916416 563554363 /nfs/dbraw/zinc/55/43/63/563554363.db2.gz AVZVZDDLIQOJDN-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1ccc(C)c(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)c1 ZINC000006016948 563557488 /nfs/dbraw/zinc/55/74/88/563557488.db2.gz ACYCAOWUYIHABT-UHFFFAOYSA-N 0 0 328.462 4.215 50 0 EIAARN COc1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000006128023 563559256 /nfs/dbraw/zinc/55/92/56/563559256.db2.gz INQGPUNSLFFJID-UHFFFAOYSA-N 0 0 337.463 4.109 50 0 EIAARN COc1ccc(Cl)cc1-c1nc(SCc2ccccc2)n[nH]1 ZINC000006464094 563568888 /nfs/dbraw/zinc/56/88/88/563568888.db2.gz AYPJWSDBHRDTJL-UHFFFAOYSA-N 0 0 331.828 4.426 50 0 EIAARN c1ccc(CSc2nnc([C@H]3COc4ccccc4O3)s2)cc1 ZINC000006597369 563574451 /nfs/dbraw/zinc/57/44/51/563574451.db2.gz JIGDDHVWHPYIHV-OAHLLOKOSA-N 0 0 342.445 4.343 50 0 EIAARN C=CN1CC[C@H](C(=O)c2cc(-c3ccccc3)nc3ccccc32)C1=O ZINC000006658252 563576347 /nfs/dbraw/zinc/57/63/47/563576347.db2.gz SUVSFHWVUMCRSK-QGZVFWFLSA-N 0 0 342.398 4.077 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 ZINC000006701960 563580103 /nfs/dbraw/zinc/58/01/03/563580103.db2.gz GMEDZMQPPJDJKA-LLVKDONJSA-N 0 0 348.855 4.418 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3Cl)nc2c1 ZINC000006705488 563581170 /nfs/dbraw/zinc/58/11/70/563581170.db2.gz RVIIOVOADDWYQC-UHFFFAOYSA-N 0 0 331.828 4.256 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000006714585 563581555 /nfs/dbraw/zinc/58/15/55/563581555.db2.gz CJIVHNLWZWHJGN-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN Cc1cccc(NC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000006715444 563582058 /nfs/dbraw/zinc/58/20/58/563582058.db2.gz DFVPSTDJWVHJCU-UHFFFAOYSA-N 0 0 340.608 4.450 50 0 EIAARN Cc1cccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000006729804 563583425 /nfs/dbraw/zinc/58/34/25/563583425.db2.gz KLKHAAMUFZUFNM-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN Cc1cccc(NC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000006730390 563583927 /nfs/dbraw/zinc/58/39/27/563583927.db2.gz JFXAJCRKPJYCGO-UHFFFAOYSA-N 0 0 336.395 4.017 50 0 EIAARN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cccs1 ZINC000006746816 563584922 /nfs/dbraw/zinc/58/49/22/563584922.db2.gz UIABTENITYYEHG-GFCCVEGCSA-N 0 0 337.828 4.212 50 0 EIAARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000006781186 563586002 /nfs/dbraw/zinc/58/60/02/563586002.db2.gz IMONTRJLAWHYGT-PZENNZQWSA-N 0 0 340.463 4.063 50 0 EIAARN O=C(Nc1nnc(-c2cccs2)o1)c1cc(Cl)sc1Cl ZINC000002641543 563597528 /nfs/dbraw/zinc/59/75/28/563597528.db2.gz VWQJRYQJUPWZRQ-UHFFFAOYSA-N 0 0 346.220 4.419 50 0 EIAARN COC(=O)c1c(-c2ccco2)csc1NC(=O)c1cccs1 ZINC000002760269 563612359 /nfs/dbraw/zinc/61/23/59/563612359.db2.gz UEDFOCKULOTZCO-UHFFFAOYSA-N 0 0 333.390 4.109 50 0 EIAARN Cc1cc2n(n1)[C@H](C(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000002785987 563613102 /nfs/dbraw/zinc/61/31/02/563613102.db2.gz NMPNSWXPMITRFR-NEPJUHHUSA-N 0 0 342.187 4.317 50 0 EIAARN COCCCNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000002767883 563614215 /nfs/dbraw/zinc/61/42/15/563614215.db2.gz SMHVYXWFEZTGMF-UHFFFAOYSA-N 0 0 340.448 4.038 50 0 EIAARN CC[C@@H](C)N1C(=S)N=NC1c1cccc(OC(F)(F)C(F)F)c1 ZINC000002791918 563615906 /nfs/dbraw/zinc/61/59/06/563615906.db2.gz PIDCMGPDJDTSSJ-MRVPVSSYSA-N 0 0 349.353 4.442 50 0 EIAARN CCOc1cc(C(=O)Nc2cccc(F)c2)ccc1OC(F)F ZINC000002796785 563616948 /nfs/dbraw/zinc/61/69/48/563616948.db2.gz CKYXIXWZVSUMIC-UHFFFAOYSA-N 0 0 325.286 4.078 50 0 EIAARN CCCSc1nnc(NC(=O)Cc2coc3ccc(C)cc23)s1 ZINC000002877615 563617890 /nfs/dbraw/zinc/61/78/90/563617890.db2.gz RBSIVDBIACDDIK-UHFFFAOYSA-N 0 0 347.465 4.276 50 0 EIAARN Clc1ccc(OCCCc2nc(-c3cccnc3)n[nH]2)c(Cl)c1 ZINC000007986359 563618530 /nfs/dbraw/zinc/61/85/30/563618530.db2.gz HIYQXHDIWYNNJF-UHFFFAOYSA-N 0 0 349.221 4.185 50 0 EIAARN Cc1c(C(=O)Nc2cccc(C)c2)nnn1-c1cc(Cl)ccc1C ZINC000008022118 563619333 /nfs/dbraw/zinc/61/93/33/563619333.db2.gz HYIKNCJPDIBBNC-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)o2)c1C ZINC000008234092 563623901 /nfs/dbraw/zinc/62/39/01/563623901.db2.gz LZSOUXOLAIQWOI-UHFFFAOYSA-N 0 0 341.436 4.150 50 0 EIAARN O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1cccnc1 ZINC000008519103 563631632 /nfs/dbraw/zinc/63/16/32/563631632.db2.gz ILFBVOBYVRYSPZ-UHFFFAOYSA-N 0 0 342.358 4.051 50 0 EIAARN CSc1cccc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)c1 ZINC000008558684 563632277 /nfs/dbraw/zinc/63/22/77/563632277.db2.gz JMFVQJPFTLJCQD-UHFFFAOYSA-N 0 0 343.477 4.324 50 0 EIAARN C[C@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000008714204 563636411 /nfs/dbraw/zinc/63/64/11/563636411.db2.gz YHJZENMMJGTNRL-HNNXBMFYSA-N 0 0 345.398 4.223 50 0 EIAARN COc1ccc(-c2nnc3sc(-c4cc(C)cc(C)c4)nn32)cc1 ZINC000008715076 563636717 /nfs/dbraw/zinc/63/67/17/563636717.db2.gz YEFSWFABADVOIS-UHFFFAOYSA-N 0 0 336.420 4.145 50 0 EIAARN CCc1c(C(=O)Nc2ccc3ccccc3c2)nnn1-c1ccccc1 ZINC000008715186 563636951 /nfs/dbraw/zinc/63/69/51/563636951.db2.gz QRPRTFYTKLFAGN-UHFFFAOYSA-N 0 0 342.402 4.235 50 0 EIAARN CCCOc1ccc(C(=O)Nc2ccccc2)cc1Br ZINC000008723051 563637658 /nfs/dbraw/zinc/63/76/58/563637658.db2.gz CFRZZQSUKDPINE-UHFFFAOYSA-N 0 0 334.213 4.490 50 0 EIAARN Cc1csc(SCC(=O)Nc2ccccc2SC(F)F)n1 ZINC000008744671 563639128 /nfs/dbraw/zinc/63/91/28/563639128.db2.gz RVQDIJSMRAKFSC-UHFFFAOYSA-N 0 0 346.449 4.497 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=S)Nc1ccccc1)CC2 ZINC000008829168 563640330 /nfs/dbraw/zinc/64/03/30/563640330.db2.gz PYEBXBDLDDUNBN-CYBMUJFWSA-N 0 0 342.464 4.020 50 0 EIAARN CCOc1ccccc1Nc1c(=O)c(=O)c1-c1cc(C)c(C)cc1C ZINC000009224761 563642686 /nfs/dbraw/zinc/64/26/86/563642686.db2.gz ULVVBDPADXWFDU-UHFFFAOYSA-N 0 0 335.403 4.017 50 0 EIAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1C)SCC(=O)N2 ZINC000009250690 563642992 /nfs/dbraw/zinc/64/29/92/563642992.db2.gz SVLPQMLBBAEYLJ-IBGZPJMESA-N 0 0 349.459 4.264 50 0 EIAARN Cc1ccc(C)c(CSc2nnc3n2CCN3c2ccccc2)c1 ZINC000009574070 563644375 /nfs/dbraw/zinc/64/43/75/563644375.db2.gz UZETTYZWSZQBGT-UHFFFAOYSA-N 0 0 336.464 4.339 50 0 EIAARN CSc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000009667335 563644725 /nfs/dbraw/zinc/64/47/25/563644725.db2.gz VQBRXXZGWAGVHY-UHFFFAOYSA-N 0 0 328.462 4.252 50 0 EIAARN Cc1ccccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000009747053 563644853 /nfs/dbraw/zinc/64/48/53/563644853.db2.gz RTXUHPBUWCSKQO-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN Clc1ccc(-c2nnc3sc(/C=C/c4cccnc4)nn32)cc1 ZINC000015083093 563645280 /nfs/dbraw/zinc/64/52/80/563645280.db2.gz LXJIZLQKTVQLNJ-FPYGCLRLSA-N 0 0 339.811 4.072 50 0 EIAARN Cc1nc(-c2ccc(CC(=O)N[C@@H]3CCc4ccccc43)cc2)cs1 ZINC000046179693 563647719 /nfs/dbraw/zinc/64/77/19/563647719.db2.gz FCRNDRKQAQJQSM-LJQANCHMSA-N 0 0 348.471 4.465 50 0 EIAARN COc1ccc(OC)c2sc(NC(=O)c3ccccc3Cl)nc21 ZINC000004330793 563649156 /nfs/dbraw/zinc/64/91/56/563649156.db2.gz HTEWELOCLYDMHU-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN O=C(CCc1ccncc1)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000011665428 563650422 /nfs/dbraw/zinc/65/04/22/563650422.db2.gz FDFXISDOWJDFKR-GOSISDBHSA-N 0 0 340.442 4.025 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1nnn(-c2cc(C)ccc2C)c1C ZINC000011690633 563650686 /nfs/dbraw/zinc/65/06/86/563650686.db2.gz SGSNYMMZIPTECA-UHFFFAOYSA-N 0 0 348.450 4.316 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)s1 ZINC000011773713 563650871 /nfs/dbraw/zinc/65/08/71/563650871.db2.gz JRCVERAIOAOWCK-GFCCVEGCSA-N 0 0 349.402 4.070 50 0 EIAARN CN(C(=O)c1csc2nc(-c3ccccc3)cn12)C1CCCCC1 ZINC000011903877 563651866 /nfs/dbraw/zinc/65/18/66/563651866.db2.gz QPZAZVWYIFBFDU-UHFFFAOYSA-N 0 0 339.464 4.468 50 0 EIAARN CCCc1ccc2oc(C(=O)N(C)Cc3nccs3)c(C)c2c1 ZINC000011950406 563652136 /nfs/dbraw/zinc/65/21/36/563652136.db2.gz GSWAFJJYOAKYDQ-UHFFFAOYSA-N 0 0 328.437 4.422 50 0 EIAARN CC(C)n1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000012002221 563652243 /nfs/dbraw/zinc/65/22/43/563652243.db2.gz FCMRMNOLZJARED-QGZVFWFLSA-N 0 0 345.874 4.212 50 0 EIAARN CSc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1 ZINC000012073295 563653201 /nfs/dbraw/zinc/65/32/01/563653201.db2.gz OYHPHFZZSGTCNT-QGZVFWFLSA-N 0 0 344.455 4.264 50 0 EIAARN Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000012093248 563653466 /nfs/dbraw/zinc/65/34/66/563653466.db2.gz OQQWONCZNROSFY-CYBMUJFWSA-N 0 0 347.867 4.445 50 0 EIAARN Cc1cc(NC(=O)c2cc3ccccc3c(=O)s2)ccc1Cl ZINC000012274385 563656925 /nfs/dbraw/zinc/65/69/25/563656925.db2.gz RVLIVSUCSVPZRY-UHFFFAOYSA-N 0 0 329.808 4.476 50 0 EIAARN COc1cccc(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1 ZINC000012301839 563657237 /nfs/dbraw/zinc/65/72/37/563657237.db2.gz ZOYCZHCTRUQZCE-IBGZPJMESA-N 0 0 338.451 4.029 50 0 EIAARN COc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1 ZINC000012301837 563657326 /nfs/dbraw/zinc/65/73/26/563657326.db2.gz ZOYCZHCTRUQZCE-LJQANCHMSA-N 0 0 338.451 4.029 50 0 EIAARN CC(C)c1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)[nH]n1 ZINC000012306617 563657502 /nfs/dbraw/zinc/65/75/02/563657502.db2.gz OTHKIYSDVBLHIH-OAHLLOKOSA-N 0 0 345.874 4.281 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)N[C@H](c1cccnc1)C(F)(F)F ZINC000012303664 563657544 /nfs/dbraw/zinc/65/75/44/563657544.db2.gz QDFMKJIJAILRCF-MRXNPFEDSA-N 0 0 348.324 4.478 50 0 EIAARN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CC(F)(F)F)C2)cc1 ZINC000012308403 563657574 /nfs/dbraw/zinc/65/75/74/563657574.db2.gz PPWDDPPLBIBBPL-OAHLLOKOSA-N 0 0 328.378 4.165 50 0 EIAARN Cc1oc(-c2ccoc2)nc1CN1CCCC[C@@H]1c1nccs1 ZINC000012315364 563657673 /nfs/dbraw/zinc/65/76/73/563657673.db2.gz GOGPGBUBUDMXQK-OAHLLOKOSA-N 0 0 329.425 4.427 50 0 EIAARN O=C(Nc1ccc2nsnc2c1)Nc1ccccc1C(F)(F)F ZINC000012340902 563658540 /nfs/dbraw/zinc/65/85/40/563658540.db2.gz YZBFPTIFXQMGRI-UHFFFAOYSA-N 0 0 338.314 4.354 50 0 EIAARN CC(C)(C)C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000012381312 563659146 /nfs/dbraw/zinc/65/91/46/563659146.db2.gz ZWVRTBJWKQZDOJ-UHFFFAOYSA-N 0 0 348.512 4.238 50 0 EIAARN Cc1nn2c(nc(C)cc2NCc2cccnc2)c1-c1ccccc1 ZINC000012374421 563659157 /nfs/dbraw/zinc/65/91/57/563659157.db2.gz UKZLNCVELPIRDJ-UHFFFAOYSA-N 0 0 329.407 4.020 50 0 EIAARN CC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)c1ccncc1 ZINC000012382853 563659356 /nfs/dbraw/zinc/65/93/56/563659356.db2.gz YGZFQTCMVDOFHR-UHFFFAOYSA-N 0 0 332.425 4.084 50 0 EIAARN CC(C)n1c(SCCOc2ccccc2)nnc1-c1ccco1 ZINC000012383152 563659451 /nfs/dbraw/zinc/65/94/51/563659451.db2.gz XPFKXOLMUGUOED-UHFFFAOYSA-N 0 0 329.425 4.290 50 0 EIAARN CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000012404143 563660028 /nfs/dbraw/zinc/66/00/28/563660028.db2.gz PLLAMBQXFBSSSI-UHFFFAOYSA-N 0 0 345.830 4.466 50 0 EIAARN Cc1oc(-c2ccoc2)nc1CN(C)Cc1cccc(-n2cccn2)c1 ZINC000012430564 563660282 /nfs/dbraw/zinc/66/02/82/563660282.db2.gz DYJFTEDTTSMIRH-UHFFFAOYSA-N 0 0 348.406 4.061 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc2nc(C3CC3)oc2c1 ZINC000012429464 563660370 /nfs/dbraw/zinc/66/03/70/563660370.db2.gz FTFZVCUZMRJDOK-UHFFFAOYSA-N 0 0 345.402 4.159 50 0 EIAARN O=C(c1csc2nc(-c3cccc(F)c3)cn12)N1CCCCCC1 ZINC000012431537 563660829 /nfs/dbraw/zinc/66/08/29/563660829.db2.gz YDZFYCQPRYGGLJ-UHFFFAOYSA-N 0 0 343.427 4.218 50 0 EIAARN CC(=O)N(C)Cc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C ZINC000012445147 563661241 /nfs/dbraw/zinc/66/12/41/563661241.db2.gz IKVKHOLFZVBXCO-UHFFFAOYSA-N 0 0 349.478 4.297 50 0 EIAARN COc1cccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)c1 ZINC000012469392 563661848 /nfs/dbraw/zinc/66/18/48/563661848.db2.gz NDMGZDZLWNUWEX-DLBZAZTESA-N 0 0 340.814 4.086 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1C[C@H]1CCCO1 ZINC000012561359 563663153 /nfs/dbraw/zinc/66/31/53/563663153.db2.gz DNORKYIRALUIAA-QAPCUYQASA-N 0 0 342.826 4.086 50 0 EIAARN NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(Cl)cc1 ZINC000012562989 563663188 /nfs/dbraw/zinc/66/31/88/563663188.db2.gz YNMFMXOJBDZPEL-SILNSSARSA-N 0 0 333.174 4.071 50 0 EIAARN Cc1ccc(CN[C@H](C)c2cnc(N3CCCCCCC3)nc2C)o1 ZINC000012594336 563664701 /nfs/dbraw/zinc/66/47/01/563664701.db2.gz YSKFTIPLAZEPJM-MRXNPFEDSA-N 0 0 342.487 4.308 50 0 EIAARN CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21 ZINC000012628300 563665581 /nfs/dbraw/zinc/66/55/81/563665581.db2.gz BKIVBSHNLOPQGO-UVTDQMKNSA-N 0 0 344.208 4.341 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C)ccc3F)c12 ZINC000012799333 563673450 /nfs/dbraw/zinc/67/34/50/563673450.db2.gz SMKBKEXENJIUFW-UHFFFAOYSA-N 0 0 325.343 4.108 50 0 EIAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)c1ccccc1 ZINC000032642772 563674835 /nfs/dbraw/zinc/67/48/35/563674835.db2.gz CTKPOBFMMSOQBT-UHFFFAOYSA-N 0 0 340.423 4.458 50 0 EIAARN Cc1cccc(OCC(=O)Nc2nc3c(s2)CCCCC3)c1C ZINC000012827720 563675182 /nfs/dbraw/zinc/67/51/82/563675182.db2.gz SBHCDDGRWIAVEF-UHFFFAOYSA-N 0 0 330.453 4.046 50 0 EIAARN CCc1cccc(CC)c1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000012924274 563677424 /nfs/dbraw/zinc/67/74/24/563677424.db2.gz AEXYMAQJBORRCL-UHFFFAOYSA-N 0 0 339.435 4.154 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1ncccc1OCc1ccccc1 ZINC000012935542 563677754 /nfs/dbraw/zinc/67/77/54/563677754.db2.gz FUZYIRIXUSZZAS-BUHFOSPRSA-N 0 0 330.387 4.313 50 0 EIAARN CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccoc1C ZINC000004399684 563677769 /nfs/dbraw/zinc/67/77/69/563677769.db2.gz XYPZGYHFCWNARO-UHFFFAOYSA-N 0 0 341.436 4.150 50 0 EIAARN CC(C)[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000012978629 563680962 /nfs/dbraw/zinc/68/09/62/563680962.db2.gz MKGFPFHYXVCNLY-SFHVURJKSA-N 0 0 344.386 4.116 50 0 EIAARN CCCc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)cc1 ZINC000013002812 563684803 /nfs/dbraw/zinc/68/48/03/563684803.db2.gz RWOZTSSGQPNQOP-CYBMUJFWSA-N 0 0 344.842 4.050 50 0 EIAARN COc1ccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000013058323 563686821 /nfs/dbraw/zinc/68/68/21/563686821.db2.gz PYNRDOHLFKJNIG-UHFFFAOYSA-N 0 0 346.858 4.036 50 0 EIAARN O=c1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)[nH]1 ZINC000013114153 563688424 /nfs/dbraw/zinc/68/84/24/563688424.db2.gz QAKYDAURAWNPNG-UHFFFAOYSA-N 0 0 328.824 4.383 50 0 aggregator EIAARN O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000004412999 563690956 /nfs/dbraw/zinc/69/09/56/563690956.db2.gz RGJFNLCJMKVAGX-UHFFFAOYSA-N 0 0 340.400 4.033 50 0 EIAARN COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC000013325843 563694966 /nfs/dbraw/zinc/69/49/66/563694966.db2.gz HNBVCFNZLIGEOO-UHFFFAOYSA-N 0 0 327.277 4.034 50 0 EIAARN COc1cccc([C@@H](C)NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000013328723 563695918 /nfs/dbraw/zinc/69/59/18/563695918.db2.gz PLGJJDQVBNZIDT-CYBMUJFWSA-N 0 0 336.391 4.150 50 0 EIAARN CCCc1nc(SC)[nH]c(=O)c1Cc1c(Cl)cccc1Cl ZINC000013468373 563698840 /nfs/dbraw/zinc/69/88/40/563698840.db2.gz PVIIMHSUZGZOQE-UHFFFAOYSA-N 0 0 343.279 4.342 50 0 EIAARN CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1 ZINC000013617746 563704226 /nfs/dbraw/zinc/70/42/26/563704226.db2.gz IHNXTLZQWXHAEJ-UHFFFAOYSA-N 0 0 334.419 4.170 50 0 EIAARN Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(F)cc2F)o1 ZINC000013641003 563705957 /nfs/dbraw/zinc/70/59/57/563705957.db2.gz HBFLFOSYEXLOTP-UHFFFAOYSA-N 0 0 332.306 4.006 50 0 EIAARN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000013745294 563720241 /nfs/dbraw/zinc/72/02/41/563720241.db2.gz NQOCQZZPOJTCHS-SNVBAGLBSA-N 0 0 325.195 4.103 50 0 EIAARN COc1cccc(NC(=O)CN2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000032777594 563728795 /nfs/dbraw/zinc/72/87/95/563728795.db2.gz LZWFCODPDAACSV-SFHVURJKSA-N 0 0 344.842 4.124 50 0 EIAARN COc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1OC ZINC000004479338 563729254 /nfs/dbraw/zinc/72/92/54/563729254.db2.gz BYTODVYVMWTRAL-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN Cc1ccccc1/N=c1\oc2c(Cl)cc(Cl)cc2cc1C(N)=O ZINC000013942559 563732000 /nfs/dbraw/zinc/73/20/00/563732000.db2.gz GSWFQFWEMNSCDA-FXBPSFAMSA-N 0 0 347.201 4.379 50 0 EIAARN Cc1nc2ccc(NC(=O)CSc3ccc(F)cc3)cc2s1 ZINC000004496703 563734480 /nfs/dbraw/zinc/73/44/80/563734480.db2.gz LUVSTOSRHCHBOE-UHFFFAOYSA-N 0 0 332.425 4.475 50 0 EIAARN COc1ccc(CCN(C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000014015371 563735769 /nfs/dbraw/zinc/73/57/69/563735769.db2.gz RSCNWHWFYFEBQU-UHFFFAOYSA-N 0 0 348.830 4.064 50 0 EIAARN COc1cccc2sc(NC(=O)CSc3ccc(C)cc3)nc21 ZINC000004496433 563736908 /nfs/dbraw/zinc/73/69/08/563736908.db2.gz OAJOZCHPKBNKTP-UHFFFAOYSA-N 0 0 344.461 4.344 50 0 EIAARN CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ncccc1Cl ZINC000014076264 563738063 /nfs/dbraw/zinc/73/80/63/563738063.db2.gz LVFXAGQAVPXRPC-NSHDSACASA-N 0 0 334.828 4.057 50 0 EIAARN Cc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccccc2)n1C ZINC000014085634 563738743 /nfs/dbraw/zinc/73/87/43/563738743.db2.gz VWDFZLPTMYKZAO-CQSZACIVSA-N 0 0 337.448 4.154 50 0 EIAARN CCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccc[nH]3)o2)c1 ZINC000014095764 563740476 /nfs/dbraw/zinc/74/04/76/563740476.db2.gz GUOGGYJHYVSZDZ-UHFFFAOYSA-N 0 0 341.436 4.165 50 0 EIAARN CC(=O)NCc1ccc(-c2nc(-c3ccccc3)sc2C)s1 ZINC000014102738 563740989 /nfs/dbraw/zinc/74/09/89/563740989.db2.gz HDBNWVZVFCDNRT-UHFFFAOYSA-N 0 0 328.462 4.483 50 0 EIAARN Cn1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 ZINC000014112783 563741595 /nfs/dbraw/zinc/74/15/95/563741595.db2.gz FOWNUCVFIGPLHU-UHFFFAOYSA-N 0 0 335.885 4.413 50 0 EIAARN C[C@@H](Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)c1ccccc1 ZINC000014164098 563745851 /nfs/dbraw/zinc/74/58/51/563745851.db2.gz JGLIAXIOJGMQMZ-LLVKDONJSA-N 0 0 337.404 4.418 50 0 EIAARN Cc1nc2cc(NC(=O)c3cc4ccc(F)cc4nc3C)ccc2o1 ZINC000014183749 563747817 /nfs/dbraw/zinc/74/78/17/563747817.db2.gz GZCKJAFJLUSBOQ-UHFFFAOYSA-N 0 0 335.338 4.384 50 0 EIAARN CN(Cc1ccc(C(C)(C)C)cc1)Cn1ncn(C2CC2)c1=S ZINC000014205931 563750867 /nfs/dbraw/zinc/75/08/67/563750867.db2.gz JOTRXHCEFABVPV-UHFFFAOYSA-N 0 0 330.501 4.136 50 0 EIAARN CCOc1ccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1 ZINC000014234440 563753116 /nfs/dbraw/zinc/75/31/16/563753116.db2.gz AOFDTMIHPOYQOC-UHFFFAOYSA-N 0 0 338.388 4.310 50 0 EIAARN O=C1CCc2cc(Oc3ncc(C(F)(F)F)cc3Cl)ccc2N1 ZINC000014255258 563755952 /nfs/dbraw/zinc/75/59/52/563755952.db2.gz VJJLMFCJIIUUAA-UHFFFAOYSA-N 0 0 342.704 4.431 50 0 EIAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000014367518 563758484 /nfs/dbraw/zinc/75/84/84/563758484.db2.gz COIUPCGBUOCGOH-LBPRGKRZSA-N 0 0 346.789 4.009 50 0 EIAARN Cc1sc(NC(=O)COc2ccc(F)cc2)nc1-c1ccccc1 ZINC000014658495 563762324 /nfs/dbraw/zinc/76/23/24/563762324.db2.gz HVKXXCXMINPEBD-UHFFFAOYSA-N 0 0 342.395 4.275 50 0 EIAARN COc1cc(C(C)=O)ccc1OC(=O)c1cc(F)c(F)cc1Cl ZINC000014789360 563764562 /nfs/dbraw/zinc/76/45/62/563764562.db2.gz DMHNFALKGRPPKY-UHFFFAOYSA-N 0 0 340.709 4.049 50 0 EIAARN O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccccc1F ZINC000015019157 563773561 /nfs/dbraw/zinc/77/35/61/563773561.db2.gz JOHZLRUPSNOEHB-OQLLNIDSSA-N 0 0 331.343 4.201 50 0 EIAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)NCC[C@H]1CCCCO1 ZINC000015068342 563775646 /nfs/dbraw/zinc/77/56/46/563775646.db2.gz ONGZHCXCMBZZGQ-CYBMUJFWSA-N 0 0 335.831 4.392 50 0 EIAARN C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccccc1C(F)(F)F ZINC000015352184 563783458 /nfs/dbraw/zinc/78/34/58/563783458.db2.gz RGUOJDSWXASIKE-ZDUSSCGKSA-N 0 0 348.368 4.485 50 0 EIAARN Cc1cccc(-c2nc(CCNC(=O)c3cccc(F)c3)cs2)c1 ZINC000004570813 563786471 /nfs/dbraw/zinc/78/64/71/563786471.db2.gz DRAMAHXSPCAQQY-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000015539878 563786535 /nfs/dbraw/zinc/78/65/35/563786535.db2.gz CKWHVCRSKLIIJU-INIZCTEOSA-N 0 0 340.423 4.342 50 0 EIAARN C[C@@H](Nc1nc2ccccc2s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000032901314 563786880 /nfs/dbraw/zinc/78/68/80/563786880.db2.gz FAMMOKSCSXEDSV-CHWSQXEVSA-N 0 0 337.448 4.075 50 0 EIAARN COc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1OC ZINC000015589442 563788004 /nfs/dbraw/zinc/78/80/04/563788004.db2.gz REYNSYDQSUCUHQ-UHFFFAOYSA-N 0 0 331.437 4.133 50 0 EIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(s2)CCC3)c1 ZINC000015636492 563789164 /nfs/dbraw/zinc/78/91/64/563789164.db2.gz ZRPXVVNLBCHZGM-UHFFFAOYSA-N 0 0 330.453 4.081 50 0 EIAARN COc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 ZINC000015832465 563793415 /nfs/dbraw/zinc/79/34/15/563793415.db2.gz TUCQPPBFHOIIMP-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN O=C(Nc1ccc(Br)cc1)N1CCC[C@@H]1c1ccco1 ZINC000015837904 563794394 /nfs/dbraw/zinc/79/43/94/563794394.db2.gz VNWCWSBVCWHVRP-CYBMUJFWSA-N 0 0 335.201 4.411 50 0 EIAARN O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1cccs1 ZINC000015839918 563795110 /nfs/dbraw/zinc/79/51/10/563795110.db2.gz PDKCRTQNHQPXCA-INIZCTEOSA-N 0 0 328.824 4.316 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000016109959 563803937 /nfs/dbraw/zinc/80/39/37/563803937.db2.gz JKCAGFYTASBFNB-GOEBONIOSA-N 0 0 347.867 4.241 50 0 EIAARN COc1cc2ccccc2cc1C(=O)Nc1ccccc1-n1cccn1 ZINC000032912890 563806289 /nfs/dbraw/zinc/80/62/89/563806289.db2.gz UAKFYJPSXUGVHV-UHFFFAOYSA-N 0 0 343.386 4.286 50 0 EIAARN CCSc1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000004585788 563806854 /nfs/dbraw/zinc/80/68/54/563806854.db2.gz ZAJXENBKKLFBOK-UHFFFAOYSA-N 0 0 343.383 4.240 50 0 EIAARN Cc1ccccc1CN(C)C(=O)CN(C)Cc1ccc2ccccc2c1 ZINC000016342958 563809370 /nfs/dbraw/zinc/80/93/70/563809370.db2.gz FYTVLHOZWFKGEB-UHFFFAOYSA-N 0 0 346.474 4.239 50 0 EIAARN Cc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)cc1 ZINC000004588697 563809818 /nfs/dbraw/zinc/80/98/18/563809818.db2.gz IWVSHSUGXFBGGC-GDNBJRDFSA-N 0 0 331.293 4.358 50 0 EIAARN COc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 ZINC000004589788 563810477 /nfs/dbraw/zinc/81/04/77/563810477.db2.gz UBZQXZHXIFWIGO-NVNXTCNLSA-N 0 0 348.185 4.347 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1ccco1 ZINC000016448124 563811723 /nfs/dbraw/zinc/81/17/23/563811723.db2.gz MEZWGLXHDYTQKX-UHFFFAOYSA-N 0 0 346.386 4.125 50 0 EIAARN O=C(Cc1ccccc1)NCCSCc1c(F)cccc1Cl ZINC000016478623 563812394 /nfs/dbraw/zinc/81/23/94/563812394.db2.gz IWISQPQUUHSJQZ-UHFFFAOYSA-N 0 0 337.847 4.071 50 0 EIAARN CCc1ccc2c(c1)sc(C(=O)N1C[C@@H](C)O[C@H](C)C1)c2Cl ZINC000016603703 563816581 /nfs/dbraw/zinc/81/65/81/563816581.db2.gz VONLGAFYRRFQAJ-GHMZBOCLSA-N 0 0 337.872 4.367 50 0 EIAARN COCCCn1c(N)c(-c2nc3ccccc3s2)sc1=S ZINC000016750150 563822513 /nfs/dbraw/zinc/82/25/13/563822513.db2.gz PNFODLYWBCMNPQ-UHFFFAOYSA-N 0 0 337.495 4.174 50 0 EIAARN CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1[C@H](C)CC ZINC000016780678 563824136 /nfs/dbraw/zinc/82/41/36/563824136.db2.gz JHEKHPCTJCYHGZ-CQSZACIVSA-N 0 0 339.501 4.210 50 0 EIAARN C[C@@H]1C[C@@H](C)[C@@H]2N(C1)c1ccccc1CC21C(=O)CC(C)(C)CC1=O ZINC000016957108 563827251 /nfs/dbraw/zinc/82/72/51/563827251.db2.gz WEOIUSWZPPNLHG-SXGZJXTBSA-N 0 0 339.479 4.038 50 0 EIAARN Cc1c2ccccc2oc1-c1nc(N)nc(Nc2ccccc2F)n1 ZINC000016976337 563828000 /nfs/dbraw/zinc/82/80/00/563828000.db2.gz LEGUDVSEXPBFIZ-UHFFFAOYSA-N 0 0 335.342 4.058 50 0 EIAARN CCSc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1 ZINC000017028255 563829395 /nfs/dbraw/zinc/82/93/95/563829395.db2.gz SHZFHKHQNDVPTN-UHFFFAOYSA-N 0 0 349.412 4.302 50 0 EIAARN Cc1cccc(N2C(=S)N=NC2CSCc2ccccc2)c1 ZINC000017067131 563831323 /nfs/dbraw/zinc/83/13/23/563831323.db2.gz DHJXLFRLRACVFQ-UHFFFAOYSA-N 0 0 327.478 4.298 50 0 EIAARN Cc1ccc(NC(=S)Nc2ccc(Br)cc2)c(O)c1 ZINC000017070832 563833514 /nfs/dbraw/zinc/83/35/14/563833514.db2.gz UEWWRELIWUEQKK-UHFFFAOYSA-N 0 0 337.242 4.272 50 0 EIAARN Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1Cl ZINC000017116622 563837184 /nfs/dbraw/zinc/83/71/84/563837184.db2.gz SQZMXZAJAOUGLR-UHFFFAOYSA-N 0 0 338.838 4.364 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000000394056 563842238 /nfs/dbraw/zinc/84/22/38/563842238.db2.gz KJDDAZPFGUKHAX-UHFFFAOYSA-N 0 0 335.428 4.367 50 0 EIAARN COc1ccccc1OCCNC(=O)c1ccccc1-c1ccccc1 ZINC000017796741 563845431 /nfs/dbraw/zinc/84/54/31/563845431.db2.gz ISZDUCSMYDXNPD-UHFFFAOYSA-N 0 0 347.414 4.171 50 0 EIAARN CCOC(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000018106435 563848731 /nfs/dbraw/zinc/84/87/31/563848731.db2.gz YNNAVLGZRMNKDA-UHFFFAOYSA-N 0 0 327.767 4.025 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c(C)c1 ZINC000010677224 563859057 /nfs/dbraw/zinc/85/90/57/563859057.db2.gz ZMXSHBWPQXHDEA-GOSISDBHSA-N 0 0 329.465 4.041 50 0 EIAARN Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](c2cccs2)C2CC2)c1C ZINC000010683013 563859453 /nfs/dbraw/zinc/85/94/53/563859453.db2.gz QWRYQTHFYOWNLR-KRWDZBQOSA-N 0 0 349.521 4.411 50 0 EIAARN Cc1cc(OCC(=O)Nc2cccc(OC(C)C)c2)ccc1Cl ZINC000010715418 563860506 /nfs/dbraw/zinc/86/05/06/563860506.db2.gz NCBHQXZLFFJYIL-UHFFFAOYSA-N 0 0 333.815 4.453 50 0 EIAARN C[C@H](Sc1nnc(C(C)(C)C)o1)c1nnc(-c2cccs2)o1 ZINC000043240579 563861085 /nfs/dbraw/zinc/86/10/85/563861085.db2.gz QXZIBYKIBWLEEY-QMMMGPOBSA-N 0 0 336.442 4.332 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCc2sccc2C1 ZINC000010767838 563861233 /nfs/dbraw/zinc/86/12/33/563861233.db2.gz ZLHGBZULJGYMSZ-LBPRGKRZSA-N 0 0 334.872 4.095 50 0 EIAARN C[C@H](NC(=O)CSc1ncc(-c2ccc(F)cc2)o1)c1ccco1 ZINC000010845014 563862955 /nfs/dbraw/zinc/86/29/55/563862955.db2.gz IHEOCUCLPWRSEP-NSHDSACASA-N 0 0 346.383 4.043 50 0 EIAARN Cc1[nH]nc(C2CC2)c1-c1cc(NCc2ccncc2)nc2[nH]ccc21 ZINC000072127264 563863767 /nfs/dbraw/zinc/86/37/67/563863767.db2.gz JQVDKLUXRUVEJY-UHFFFAOYSA-N 0 0 344.422 4.146 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(C)cc1C ZINC000010903565 563866925 /nfs/dbraw/zinc/86/69/25/563866925.db2.gz FKJCGDTUSXCORY-UHFFFAOYSA-N 0 0 347.462 4.095 50 0 EIAARN Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)s1 ZINC000010959026 563873382 /nfs/dbraw/zinc/87/33/82/563873382.db2.gz NTDOOLJDVUTDOJ-OAHLLOKOSA-N 0 0 327.453 4.450 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2F)n1 ZINC000072273777 563902792 /nfs/dbraw/zinc/90/27/92/563902792.db2.gz YISLYXFIZCOVDL-VYDXJSESSA-N 0 0 344.455 4.448 50 0 EIAARN O=C(CCCc1ccccn1)N(Cc1cscn1)c1ccccc1 ZINC000072281668 563904528 /nfs/dbraw/zinc/90/45/28/563904528.db2.gz LXKMSXFMKHIBLC-UHFFFAOYSA-N 0 0 337.448 4.094 50 0 EIAARN COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000072285875 563907234 /nfs/dbraw/zinc/90/72/34/563907234.db2.gz NEKVEZQTFNOVPO-YESZJQIVSA-N 0 0 342.464 4.009 50 0 EIAARN Cc1ccnc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)c1 ZINC000029756805 563908432 /nfs/dbraw/zinc/90/84/32/563908432.db2.gz AQZTVJFOOMXZSC-UHFFFAOYSA-N 0 0 332.407 4.014 50 0 EIAARN C[S@@](=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000072298057 563912659 /nfs/dbraw/zinc/91/26/59/563912659.db2.gz NELYQYKGXUBJPG-YYSDWVBWSA-N 0 0 341.476 4.373 50 0 EIAARN Cc1ccc(NC(=O)N2CCC2(C)C)cc1NC(=O)N1CCC1(C)C ZINC000072305905 563915409 /nfs/dbraw/zinc/91/54/09/563915409.db2.gz FAMCSJCJEJUOAE-UHFFFAOYSA-N 0 0 344.459 4.027 50 0 EIAARN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cs1 ZINC000000226278 563917155 /nfs/dbraw/zinc/91/71/55/563917155.db2.gz XIAIDGYQELIRNT-UHFFFAOYSA-N 0 0 344.461 4.228 50 0 EIAARN CC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cccc(Cl)c1Cl ZINC000000207018 563917157 /nfs/dbraw/zinc/91/71/57/563917157.db2.gz UKSJJGUEFDJHHY-RRQGHBQHSA-N 0 0 342.266 4.208 50 0 EIAARN CC(C)N(C(=O)c1ccc(C(=O)OCc2ccccc2)cc1)C(C)C ZINC000000436575 563917441 /nfs/dbraw/zinc/91/74/41/563917441.db2.gz CCUNCKKEGKEPJG-UHFFFAOYSA-N 0 0 339.435 4.303 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000000447742 563917493 /nfs/dbraw/zinc/91/74/93/563917493.db2.gz DBTQNPDCGMZLGH-CSKARUKUSA-N 0 0 346.342 4.445 50 0 EIAARN COc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1 ZINC000002615803 563918049 /nfs/dbraw/zinc/91/80/49/563918049.db2.gz RWRNQUOJQZDDQB-UHFFFAOYSA-N 0 0 348.427 4.182 50 0 EIAARN COc1ccccc1N1CCN(C/C(Cl)=C/c2ccccc2)CC1 ZINC000019633041 563918165 /nfs/dbraw/zinc/91/81/65/563918165.db2.gz CFHPSOXPAURQOR-SDXDJHTJSA-N 0 0 342.870 4.097 50 0 EIAARN COc1c(C)cc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)cc1C ZINC000002878818 563918653 /nfs/dbraw/zinc/91/86/53/563918653.db2.gz RDSFKJWSIVFATD-UHFFFAOYSA-N 0 0 349.386 4.388 50 0 EIAARN Fc1ccccc1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000003684285 563918818 /nfs/dbraw/zinc/91/88/18/563918818.db2.gz PHCYKCCSITZFJO-UHFFFAOYSA-N 0 0 338.348 4.167 50 0 EIAARN OC(c1ccnn1-c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005093628 563919153 /nfs/dbraw/zinc/91/91/53/563919153.db2.gz DJPDXNKBLLAZIV-UHFFFAOYSA-N 0 0 326.399 4.157 50 0 EIAARN Cc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000013494956 563920871 /nfs/dbraw/zinc/92/08/71/563920871.db2.gz BOTHSKCAVDRFPG-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN O=C(Nc1ccc2ccccc2c1)c1ccc(Cn2ccnc2)cc1 ZINC000038834153 563922342 /nfs/dbraw/zinc/92/23/42/563922342.db2.gz YQRGQLXOLNHPJP-UHFFFAOYSA-N 0 0 327.387 4.337 50 0 EIAARN O=C(c1cc2ccccc2[nH]1)N1CCC(CCOc2ccccc2)CC1 ZINC000097938023 563922535 /nfs/dbraw/zinc/92/25/35/563922535.db2.gz QIKRBNYQKWORRN-UHFFFAOYSA-N 0 0 348.446 4.489 50 0 EIAARN O=Cc1c(OCc2ccn(-c3ccccc3)n2)ccc2ccccc21 ZINC000060299089 563922546 /nfs/dbraw/zinc/92/25/46/563922546.db2.gz GQSKTNJBLQNOKQ-UHFFFAOYSA-N 0 0 328.371 4.417 50 0 EIAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2N1CCCC1 ZINC000040217010 563922851 /nfs/dbraw/zinc/92/28/51/563922851.db2.gz KTUVPCSRCBUSOU-UHFFFAOYSA-N 0 0 326.831 4.267 50 0 EIAARN O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1ccccc1F ZINC000097938587 563923042 /nfs/dbraw/zinc/92/30/42/563923042.db2.gz HYBFEMBGJXEPRO-UHFFFAOYSA-N 0 0 327.746 4.188 50 0 EIAARN FC(F)(F)c1cnc(Cl)c(Cl)c1I ZINC000040566574 563923226 /nfs/dbraw/zinc/92/32/26/563923226.db2.gz PMFWWAIDSTWATK-UHFFFAOYSA-N 0 0 341.885 4.012 50 0 EIAARN CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](C)Oc1ccccc1)CCC2 ZINC000119220571 563924486 /nfs/dbraw/zinc/92/44/86/563924486.db2.gz BLFVSOJESGSMGB-BBRMVZONSA-N 0 0 344.480 4.009 50 0 EIAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccccc1Cl ZINC000044900803 563927750 /nfs/dbraw/zinc/92/77/50/563927750.db2.gz WXQDZTPGLICBBV-INIZCTEOSA-N 0 0 341.798 4.320 50 0 EIAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccc(Cl)c1 ZINC000044900833 563927775 /nfs/dbraw/zinc/92/77/75/563927775.db2.gz DNVAEJJNFQADCA-INIZCTEOSA-N 0 0 341.798 4.320 50 0 EIAARN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc(Cl)cc1 ZINC000044916358 563928285 /nfs/dbraw/zinc/92/82/85/563928285.db2.gz MLBHXIKYVLSHTO-MRXNPFEDSA-N 0 0 341.798 4.320 50 0 EIAARN C[C@H](OC(=O)c1cccc2cnccc21)C(=O)c1ccc2c(c1)CCC2 ZINC000072312550 563929233 /nfs/dbraw/zinc/92/92/33/563929233.db2.gz FLDBGKZPOQOHCB-AWEZNQCLSA-N 0 0 345.398 4.152 50 0 EIAARN CCOC(=O)c1sc(NC(=O)OC(C)(C)C)nc1-c1ccccc1 ZINC000045796185 563929418 /nfs/dbraw/zinc/92/94/18/563929418.db2.gz ZOXQRNFZFFTCSQ-UHFFFAOYSA-N 0 0 348.424 4.334 50 0 EIAARN CSc1cccc(-c2nc3c[nH]n(Cc4cccs4)c-3n2)c1 ZINC000048234011 563930186 /nfs/dbraw/zinc/93/01/86/563930186.db2.gz DLTISFCMASBMTR-UHFFFAOYSA-N 0 0 326.450 4.258 50 0 EIAARN Cc1ccc(-c2nc(N3C[C@@H](C)O[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072314705 563930716 /nfs/dbraw/zinc/93/07/16/563930716.db2.gz JTZNBPKYISTZHL-IYBDPMFKSA-N 0 0 333.435 4.219 50 0 EIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H](C)C(C)(C)C)c12 ZINC000013641987 563931035 /nfs/dbraw/zinc/93/10/35/563931035.db2.gz DOTZFQWEAXDGII-LLVKDONJSA-N 0 0 343.452 4.424 50 0 EIAARN CCSc1cc(C(=O)NCC(C)(C)c2ccccc2F)ccn1 ZINC000060338129 563931467 /nfs/dbraw/zinc/93/14/67/563931467.db2.gz HECXODDPRTVDAB-UHFFFAOYSA-N 0 0 332.444 4.040 50 0 EIAARN COc1cc2nc(=S)[nH]c(NC3CCCCCC3)c2cc1OC ZINC000013660115 563931503 /nfs/dbraw/zinc/93/15/03/563931503.db2.gz ZSTNWTKQUGGXAC-UHFFFAOYSA-N 0 0 333.457 4.444 50 0 EIAARN CCC(CC)C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000060342458 563931905 /nfs/dbraw/zinc/93/19/05/563931905.db2.gz ULUXZUZQPXBZCJ-OAHLLOKOSA-N 0 0 345.418 4.018 50 0 EIAARN CC[C@H](NC(=O)Nc1ccc(N2CCCC2)c(C)c1)c1nccs1 ZINC000071915962 563932581 /nfs/dbraw/zinc/93/25/81/563932581.db2.gz QXPHKHQZPHGZAR-HNNXBMFYSA-N 0 0 344.484 4.325 50 0 EIAARN Cc1cc(C)cc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000055060428 563933454 /nfs/dbraw/zinc/93/34/54/563933454.db2.gz VYAYNCMQZYIQBU-RMKNXTFCSA-N 0 0 349.478 4.166 50 0 EIAARN CC[C@@H](C)N(Cc1sccc1C)C(=O)c1ccc2cccnc2n1 ZINC000055060714 563933494 /nfs/dbraw/zinc/93/34/94/563933494.db2.gz FINIYNWPTJOEGU-CQSZACIVSA-N 0 0 339.464 4.441 50 0 EIAARN Cc1cc(C)c(C)c(C(=O)NCc2ccc(C(F)(F)F)nc2)c1C ZINC000055107507 563933582 /nfs/dbraw/zinc/93/35/82/563933582.db2.gz RGXPLEXMFJEMTH-UHFFFAOYSA-N 0 0 336.357 4.264 50 0 EIAARN CCN(Cc1ccncc1)C(=O)CSCc1ccccc1Cl ZINC000055166412 563933864 /nfs/dbraw/zinc/93/38/64/563933864.db2.gz JETQHNNZBPFEHP-UHFFFAOYSA-N 0 0 334.872 4.017 50 0 EIAARN CCCc1nc(CN(CC)C(=O)c2oc3cc(C)ccc3c2C)no1 ZINC000055368605 563934531 /nfs/dbraw/zinc/93/45/31/563934531.db2.gz AXDUDTNQFJFVAM-UHFFFAOYSA-N 0 0 341.411 4.047 50 0 EIAARN CC(C)CN(Cc1c(Cl)nc2sccn21)Cc1ccccn1 ZINC000055401994 563934778 /nfs/dbraw/zinc/93/47/78/563934778.db2.gz RIUZVMQAHCPULF-UHFFFAOYSA-N 0 0 334.876 4.102 50 0 EIAARN CCCCc1nc(CN(Cc2ccsc2)Cc2cccnc2)c[nH]1 ZINC000055403631 563934795 /nfs/dbraw/zinc/93/47/95/563934795.db2.gz BUXMNSNJHKDWBC-UHFFFAOYSA-N 0 0 340.496 4.411 50 0 EIAARN Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2nc1C ZINC000055540908 563934871 /nfs/dbraw/zinc/93/48/71/563934871.db2.gz VSYWOCDAYOGRAN-HXUWFJFHSA-N 0 0 349.409 4.363 50 0 EIAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1ccccn1 ZINC000055518245 563934914 /nfs/dbraw/zinc/93/49/14/563934914.db2.gz GJBPPYDUDKZBGK-GOSISDBHSA-N 0 0 349.459 4.111 50 0 EIAARN COc1ccc(-c2ccnc3nc(SCc4ccccc4)nn32)cc1 ZINC000057530976 563935736 /nfs/dbraw/zinc/93/57/36/563935736.db2.gz NJNXPRYYMFIASR-UHFFFAOYSA-N 0 0 348.431 4.092 50 0 EIAARN c1nnc(-c2ccc(OCCOc3ccc4ccccc4c3)cc2)o1 ZINC000058016234 563936718 /nfs/dbraw/zinc/93/67/18/563936718.db2.gz SAILYSGEADIDOI-UHFFFAOYSA-N 0 0 332.359 4.348 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1 ZINC000058017329 563936749 /nfs/dbraw/zinc/93/67/49/563936749.db2.gz GZWCIIVSDDRZHV-UHFFFAOYSA-N 0 0 349.390 4.228 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 ZINC000058018695 563936798 /nfs/dbraw/zinc/93/67/98/563936798.db2.gz CHZWCOITOBXKGS-UHFFFAOYSA-N 0 0 338.329 4.356 50 0 EIAARN O=[S@](CCCOc1ccc(F)cc1)Cc1ccc(F)cc1Cl ZINC000058131375 563937689 /nfs/dbraw/zinc/93/76/89/563937689.db2.gz LYHZIZUHSUJDJA-QFIPXVFZSA-N 0 0 344.810 4.336 50 0 EIAARN CCN(C[C@H]1CCOC1)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000058153145 563937921 /nfs/dbraw/zinc/93/79/21/563937921.db2.gz DCMDHHAIYYZFAG-SJLPKXTDSA-N 0 0 332.488 4.232 50 0 EIAARN COc1cc(C)ccc1Oc1ccc(F)cc1NCc1nc(C)no1 ZINC000058158273 563938099 /nfs/dbraw/zinc/93/80/99/563938099.db2.gz HXQDMUNLFJPRQW-UHFFFAOYSA-N 0 0 343.358 4.239 50 0 EIAARN Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(F)c1 ZINC000058160682 563938309 /nfs/dbraw/zinc/93/83/09/563938309.db2.gz WFLYBYOBTNDCEU-UHFFFAOYSA-N 0 0 348.421 4.452 50 0 EIAARN Cc1nc(S[C@@H](C)c2cccc3ccccc32)sc1CC(N)=O ZINC000058159993 563938323 /nfs/dbraw/zinc/93/83/23/563938323.db2.gz KARKZVVTOPWETK-LBPRGKRZSA-N 0 0 342.489 4.486 50 0 EIAARN CCc1cccc(CC)c1NC(=O)CNCc1ccccc1Cl ZINC000058160397 563938331 /nfs/dbraw/zinc/93/83/31/563938331.db2.gz PLNBAECVXXOVHO-UHFFFAOYSA-N 0 0 330.859 4.193 50 0 EIAARN CCn1c2ccccc2c2cc(CN(C)Cc3nc(C)no3)ccc21 ZINC000058166868 563938718 /nfs/dbraw/zinc/93/87/18/563938718.db2.gz PWTRGCKDEGBVIL-UHFFFAOYSA-N 0 0 334.423 4.138 50 0 EIAARN COc1cc2ccccc2cc1C(=O)N(C)Cc1ccc(F)cc1F ZINC000058167205 563938726 /nfs/dbraw/zinc/93/87/26/563938726.db2.gz WMMJJBSXMVMLMG-UHFFFAOYSA-N 0 0 341.357 4.399 50 0 EIAARN Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)s1 ZINC000058192491 563939359 /nfs/dbraw/zinc/93/93/59/563939359.db2.gz CVDCZMPAEZWMDG-UHFFFAOYSA-N 0 0 327.449 4.100 50 0 EIAARN CCCCS[C@@H](C)C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000058230523 563940473 /nfs/dbraw/zinc/94/04/73/563940473.db2.gz OHWBICNSZXNLBI-AWEZNQCLSA-N 0 0 349.500 4.175 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1 ZINC000058231034 563940489 /nfs/dbraw/zinc/94/04/89/563940489.db2.gz CANUIGALHIAZRZ-MAUKXSAKSA-N 0 0 337.467 4.144 50 0 EIAARN COc1ccccc1-c1nc(-c2cc(C(=O)N(C)C)cs2)cs1 ZINC000058281890 563941555 /nfs/dbraw/zinc/94/15/55/563941555.db2.gz XPXVAHDVJLXICG-UHFFFAOYSA-N 0 0 344.461 4.249 50 0 EIAARN CC(C)c1noc(CCCNC(=O)Nc2cccc(C(C)C)c2)n1 ZINC000058324953 563942502 /nfs/dbraw/zinc/94/25/02/563942502.db2.gz ZEJRWVMAFWLDOW-UHFFFAOYSA-N 0 0 330.432 4.071 50 0 EIAARN O=C(NCc1ccncc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000058327889 563942582 /nfs/dbraw/zinc/94/25/82/563942582.db2.gz BAPKSPURJNJYLC-JKSUJKDBSA-N 0 0 349.459 4.058 50 0 EIAARN c1ccc(OCCNc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000058369490 563944086 /nfs/dbraw/zinc/94/40/86/563944086.db2.gz TYNUFOJEDOMRLD-UHFFFAOYSA-N 0 0 342.402 4.183 50 0 EIAARN O=C(NO[C@H]1CCCCO1)c1cc2sc3ccccc3c2s1 ZINC000058394165 563944860 /nfs/dbraw/zinc/94/48/60/563944860.db2.gz HZKAFVYEVFFESL-AWEZNQCLSA-N 0 0 333.434 4.304 50 0 EIAARN CN(C(=O)/C=C/c1c(Cl)nc2sccn12)C1CCCCCC1 ZINC000058404050 563944925 /nfs/dbraw/zinc/94/49/25/563944925.db2.gz BAFQZNURTJHYGR-CMDGGOBGSA-N 0 0 337.876 4.244 50 0 EIAARN Cc1cn2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc2n1 ZINC000058416682 563945485 /nfs/dbraw/zinc/94/54/85/563945485.db2.gz KAVYISFRPMMOOQ-UHFFFAOYSA-N 0 0 341.414 4.486 50 0 EIAARN Cc1nc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)sc1C ZINC000058416741 563945545 /nfs/dbraw/zinc/94/55/45/563945545.db2.gz UVQLOOJAUCAXSW-BQYQJAHWSA-N 0 0 342.342 4.310 50 0 EIAARN CC[C@H](C)C(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058419636 563945725 /nfs/dbraw/zinc/94/57/25/563945725.db2.gz VYPNBFGQGDMZEK-LBPRGKRZSA-N 0 0 347.409 4.107 50 0 EIAARN O=C(CSc1nc2ccccc2o1)N1CCC[C@@H]1C1CCCCC1 ZINC000058427394 563946144 /nfs/dbraw/zinc/94/61/44/563946144.db2.gz ANCVIRWTYCTAFO-MRXNPFEDSA-N 0 0 344.480 4.491 50 0 EIAARN CCNC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000059271530 563947804 /nfs/dbraw/zinc/94/78/04/563947804.db2.gz PLVZYGTWZOMGPK-UHFFFAOYSA-N 0 0 347.292 4.345 50 0 EIAARN C[C@@H]1SCCN(Cc2nnc(-c3ccco3)o2)[C@@H]1c1ccccc1 ZINC000096411494 563950598 /nfs/dbraw/zinc/95/05/98/563950598.db2.gz CKVKMXUGIBCJGF-GUYCJALGSA-N 0 0 341.436 4.008 50 0 EIAARN CCc1noc([C@@H](C)SCCCC(=O)Nc2c(C)cccc2C)n1 ZINC000096413049 563950814 /nfs/dbraw/zinc/95/08/14/563950814.db2.gz GPMDRPAISAOABI-CQSZACIVSA-N 0 0 347.484 4.462 50 0 EIAARN CCCc1noc([C@@H](C)Nc2ccc(OC3CCOCC3)c(C)c2)n1 ZINC000096415089 563951071 /nfs/dbraw/zinc/95/10/71/563951071.db2.gz JYIYKSRGYMODHC-CQSZACIVSA-N 0 0 345.443 4.061 50 0 EIAARN CCCC1(CO[C@]2(C)CC2(Cl)Cl)COC(C(C)C)OC1 ZINC000097944017 563953604 /nfs/dbraw/zinc/95/36/04/563953604.db2.gz ISWCQUZGVKLVRR-ROKHWSDSSA-N 0 0 325.276 4.155 50 0 EIAARN Cc1noc(C)c1NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096447149 563953402 /nfs/dbraw/zinc/95/34/02/563953402.db2.gz CGNYUKQDRDUNSW-LBPRGKRZSA-N 0 0 336.395 4.236 50 0 EIAARN COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000096478595 563955042 /nfs/dbraw/zinc/95/50/42/563955042.db2.gz KQVKRGFXFMVTSU-QWHCGFSZSA-N 0 0 330.403 4.205 50 0 EIAARN Cc1ccccc1-c1cc(C(=O)N(C)C2CC2)c2cnn(C(C)C)c2n1 ZINC000046395269 563955290 /nfs/dbraw/zinc/95/52/90/563955290.db2.gz VPFCBDUDDPCEKB-UHFFFAOYSA-N 0 0 348.450 4.222 50 0 EIAARN O=[S@@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1 ZINC000066300349 563955291 /nfs/dbraw/zinc/95/52/91/563955291.db2.gz YIESFFULPVRLKY-QFIPXVFZSA-N 0 0 331.824 4.444 50 0 EIAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000064983931 563957384 /nfs/dbraw/zinc/95/73/84/563957384.db2.gz VYAXMMDYPIBCEK-LJQANCHMSA-N 0 0 329.465 4.301 50 0 EIAARN Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2F)c1 ZINC000064984245 563957410 /nfs/dbraw/zinc/95/74/10/563957410.db2.gz NMIDFBWHUBBWOJ-GOSISDBHSA-N 0 0 347.455 4.440 50 0 EIAARN CCOc1ccc(CN2CCC[C@@H]2c2cc(CC)no2)cc1OCC ZINC000064984401 563957464 /nfs/dbraw/zinc/95/74/64/563957464.db2.gz TZBSGCQMBWIKEU-QGZVFWFLSA-N 0 0 344.455 4.372 50 0 EIAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2OCC)no1 ZINC000064984739 563957715 /nfs/dbraw/zinc/95/77/15/563957715.db2.gz OTGLEVUVJPTLOW-QGZVFWFLSA-N 0 0 343.427 4.395 50 0 EIAARN Cc1ccccc1Cn1ccnc1-c1sc(N(C)C)nc1Cl ZINC000065373279 563958675 /nfs/dbraw/zinc/95/86/75/563958675.db2.gz KTLVASQJKQNHDG-UHFFFAOYSA-N 0 0 332.860 4.083 50 0 EIAARN c1cc([C@@H]2CCCO2)sc1-c1n[nH]c(CCc2ccccc2)n1 ZINC000065468299 563961249 /nfs/dbraw/zinc/96/12/49/563961249.db2.gz ZMLURZGERLWQOR-AWEZNQCLSA-N 0 0 325.437 4.170 50 0 EIAARN COc1ccccc1-c1cccc(C(=O)N[C@H](C)Cc2ccccn2)c1 ZINC000065490427 563961459 /nfs/dbraw/zinc/96/14/59/563961459.db2.gz PNSKNBFRXHNVKS-MRXNPFEDSA-N 0 0 346.430 4.118 50 0 EIAARN CCC[C@@H](C)c1c(-c2ccccc2)ncn1Cc1noc(COC)n1 ZINC000065501162 563961705 /nfs/dbraw/zinc/96/17/05/563961705.db2.gz ROTLFMRURLFATL-CQSZACIVSA-N 0 0 340.427 4.031 50 0 EIAARN Cc1cccc2c1c(-c1c(-c3ccccc3)ncn1CCO)cn2C ZINC000065527402 563961871 /nfs/dbraw/zinc/96/18/71/563961871.db2.gz ABTBVGFBCBSIII-UHFFFAOYSA-N 0 0 331.419 4.010 50 0 EIAARN Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1 ZINC000004645837 563962205 /nfs/dbraw/zinc/96/22/05/563962205.db2.gz FGVWCYMEMQAYGQ-MHWRWJLKSA-N 0 0 342.395 4.240 50 0 EIAARN CCCCOc1ccc(C2=N/C(=C\c3cccc(F)c3)C(=O)O2)cc1 ZINC000004644535 563962218 /nfs/dbraw/zinc/96/22/18/563962218.db2.gz YBGQARRVVKLGEU-AQTBWJFISA-N 0 0 339.366 4.349 50 0 EIAARN Cc1cccc(SC2CC[NH+](Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000067490374 563962272 /nfs/dbraw/zinc/96/22/72/563962272.db2.gz WYLDGUGJHRPLPK-UHFFFAOYSA-N 0 0 341.476 4.450 50 0 EIAARN CC(C)c1ccc(NCc2cccnc2N(C)Cc2ccccc2)nn1 ZINC000067458466 563962299 /nfs/dbraw/zinc/96/22/99/563962299.db2.gz PGAGLGNUIBQURF-UHFFFAOYSA-N 0 0 347.466 4.244 50 0 EIAARN COc1cccc(OC)c1-c1ccc(C(=O)NC2CCCCC2)o1 ZINC000067514689 563962313 /nfs/dbraw/zinc/96/23/13/563962313.db2.gz QPLQWPILYQISHJ-UHFFFAOYSA-N 0 0 329.396 4.026 50 0 EIAARN Fc1ccc(Cn2ncc3c2CN(c2ccc4ccccc4n2)C3)cc1 ZINC000067539858 563962347 /nfs/dbraw/zinc/96/23/47/563962347.db2.gz HCUGSFHAUXNMQE-UHFFFAOYSA-N 0 0 344.393 4.139 50 0 EIAARN COCc1nn2c(nccc2-c2ccccc2)c1-c1ccc(F)cc1 ZINC000067631031 563962379 /nfs/dbraw/zinc/96/23/79/563962379.db2.gz WWYYOVJAUVKGHR-UHFFFAOYSA-N 0 0 333.366 4.349 50 0 EIAARN O=C(COc1ccc(F)cc1Cl)N[C@@H](c1ccccc1)C1CC1 ZINC000011215785 563962393 /nfs/dbraw/zinc/96/23/93/563962393.db2.gz SEQNOYDODLXMCL-SFHVURJKSA-N 0 0 333.790 4.125 50 0 EIAARN CCC1(CC)C[C@@H]1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067691497 563962498 /nfs/dbraw/zinc/96/24/98/563962498.db2.gz WBDFUQYQUKVSCH-MRXNPFEDSA-N 0 0 342.414 4.192 50 0 EIAARN CCc1nccn1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000067723973 563962628 /nfs/dbraw/zinc/96/26/28/563962628.db2.gz XRRGKJSRGNTLTP-UHFFFAOYSA-N 0 0 325.412 4.083 50 0 EIAARN c1coc(-c2ccccc2CN2CCc3nc[nH]c3[C@H]2c2ccoc2)c1 ZINC000067756451 563962658 /nfs/dbraw/zinc/96/26/58/563962658.db2.gz HXBRBKNDTNLJNU-OAQYLSRUSA-N 0 0 345.402 4.410 50 0 EIAARN CC1=C(Cc2cn([C@H](C)c3nncn3C(C)C)nn2)C(C)(C)CCC1 ZINC000067816972 563962827 /nfs/dbraw/zinc/96/28/27/563962827.db2.gz DQYVPEOAKPGWNI-OAHLLOKOSA-N 0 0 342.491 4.129 50 0 EIAARN FC(F)(F)c1cccc2c(N3CCC[C@H](c4cc[nH]n4)C3)ccnc21 ZINC000067934232 563963107 /nfs/dbraw/zinc/96/31/07/563963107.db2.gz GNLQQCKNBZITJT-LBPRGKRZSA-N 0 0 346.356 4.361 50 0 EIAARN c1cn(-c2ccc3c(c2)OCO3)c(-c2ccc([C@H]3CCCO3)s2)n1 ZINC000067947856 563963145 /nfs/dbraw/zinc/96/31/45/563963145.db2.gz GLJORPYVVSLZAX-CQSZACIVSA-N 0 0 340.404 4.181 50 0 EIAARN CCCCN(CCCC)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000068741339 563963314 /nfs/dbraw/zinc/96/33/14/563963314.db2.gz NERGOFMFKYJJNA-UHFFFAOYSA-N 0 0 337.407 4.296 50 0 EIAARN Cc1nc2sc(-c3ccccc3)cc2c(NCCc2cnn(C)c2)n1 ZINC000060446721 563963522 /nfs/dbraw/zinc/96/35/22/563963522.db2.gz IKYRSCDFIFYYMN-UHFFFAOYSA-N 0 0 349.463 4.055 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1(C)C ZINC000089914107 563963887 /nfs/dbraw/zinc/96/38/87/563963887.db2.gz LZVFXEKVYBHOGS-OCCSQVGLSA-N 0 0 326.362 4.387 50 0 EIAARN CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(O)cc3)c12 ZINC000060481062 563963948 /nfs/dbraw/zinc/96/39/48/563963948.db2.gz FPQJGMFQAXRFQK-UHFFFAOYSA-N 0 0 337.379 4.011 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)CC(C)(C)CC(=O)Nc2ccc(F)cc2)C1 ZINC000004681229 563963950 /nfs/dbraw/zinc/96/39/50/563963950.db2.gz ZAKKSMUCFGQWLP-HUUCEWRRSA-N 0 0 348.462 4.075 50 0 EIAARN Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000188667398 563964172 /nfs/dbraw/zinc/96/41/72/563964172.db2.gz PTVIDKFTZPEUOF-CQSZACIVSA-N 0 0 348.830 4.089 50 0 EIAARN CC(C)CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000004723906 563966121 /nfs/dbraw/zinc/96/61/21/563966121.db2.gz KIKCBFHDWZNUOS-UHFFFAOYSA-N 0 0 327.862 4.192 50 0 EIAARN O=C(OCc1c(F)cccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000004727266 563966359 /nfs/dbraw/zinc/96/63/59/563966359.db2.gz PZKGSYWAIFQCDD-UHFFFAOYSA-N 0 0 330.746 4.022 50 0 EIAARN Fc1ccc(Oc2ccc(CNc3ncncc3Cl)cn2)cc1 ZINC000097104050 563967626 /nfs/dbraw/zinc/96/76/26/563967626.db2.gz PVIIYHGGSYJYTK-UHFFFAOYSA-N 0 0 330.750 4.069 50 0 EIAARN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)CC1CCOCC1 ZINC000127203281 563967842 /nfs/dbraw/zinc/96/78/42/563967842.db2.gz UJFSFZKTCAONLV-STQMWFEESA-N 0 0 343.389 4.130 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(C)cc1 ZINC000000042619 563969242 /nfs/dbraw/zinc/96/92/42/563969242.db2.gz UKPVVEINPACVSQ-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN Cc1ccc(N[C@@H](C)c2cc3ccccc3o2)cc1NS(C)(=O)=O ZINC000097231517 563970722 /nfs/dbraw/zinc/97/07/22/563970722.db2.gz QJSAKLBECWNNON-ZDUSSCGKSA-N 0 0 344.436 4.286 50 0 EIAARN CC[C@H](NC(=O)N(C)CCc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000098024521 563971189 /nfs/dbraw/zinc/97/11/89/563971189.db2.gz JGUMRJAILQXRDC-IBGZPJMESA-N 0 0 344.430 4.170 50 0 EIAARN C[C@@H](NCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000097033126 563971234 /nfs/dbraw/zinc/97/12/34/563971234.db2.gz BKPLPDQGQFGNHJ-CQSZACIVSA-N 0 0 347.418 4.077 50 0 EIAARN C[C@@H](COc1ccc(F)c(F)c1)Nc1cccc(Cn2cccn2)c1 ZINC000097037367 563971370 /nfs/dbraw/zinc/97/13/70/563971370.db2.gz BMVWXKOIZZKWDS-AWEZNQCLSA-N 0 0 343.377 4.089 50 0 EIAARN CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CCCc1cccs1 ZINC000082083229 563972024 /nfs/dbraw/zinc/97/20/24/563972024.db2.gz CDOKCAUJVDFEPF-KRWDZBQOSA-N 0 0 342.508 4.056 50 0 EIAARN Cc1cc(C(=O)N(C)[C@H](C)c2cncs2)c2cccc(C)c2n1 ZINC000082097322 563972195 /nfs/dbraw/zinc/97/21/95/563972195.db2.gz JCTZYPHSYFYAGJ-CYBMUJFWSA-N 0 0 325.437 4.141 50 0 EIAARN CN(C)c1ccccc1C(=O)N1CCCC[C@@H]1CCc1cccs1 ZINC000082106864 563972293 /nfs/dbraw/zinc/97/22/93/563972293.db2.gz RWDYGKHTRVEKPP-MRXNPFEDSA-N 0 0 342.508 4.442 50 0 EIAARN CCCc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)cs2)no1 ZINC000082121439 563972480 /nfs/dbraw/zinc/97/24/80/563972480.db2.gz CGLWDVGVNSEIBI-UHFFFAOYSA-N 0 0 341.436 4.023 50 0 EIAARN CC[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)n1C ZINC000082161792 563972809 /nfs/dbraw/zinc/97/28/09/563972809.db2.gz VFSPPWMIIDHQSK-KRWDZBQOSA-N 0 0 333.435 4.101 50 0 EIAARN C[C@@H](Nc1cc(-c2ccccc2)nc2ncnn21)c1ccc(F)cc1 ZINC000060656624 563973042 /nfs/dbraw/zinc/97/30/42/563973042.db2.gz JISOWPLAFBWJCN-CYBMUJFWSA-N 0 0 333.370 4.104 50 0 EIAARN COc1ccc(Oc2cc(NC(=O)C3CCC3)ccc2OC)cc1 ZINC000011292370 563973249 /nfs/dbraw/zinc/97/32/49/563973249.db2.gz JOAUZMMTVZRWTN-UHFFFAOYSA-N 0 0 327.380 4.235 50 0 EIAARN COc1ccc2[nH]c(SCc3cc4c(c(Cl)c3)OCO4)nc2c1 ZINC000011321917 563973489 /nfs/dbraw/zinc/97/34/89/563973489.db2.gz NVCQBAJDWGYMQD-UHFFFAOYSA-N 0 0 348.811 4.246 50 0 EIAARN Cc1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1C ZINC000085651666 563973891 /nfs/dbraw/zinc/97/38/91/563973891.db2.gz HEBAQIFZJPBNAZ-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN COc1ccc(C(=O)NC[C@@H](c2ccco2)c2cccs2)cc1F ZINC000585147690 563974054 /nfs/dbraw/zinc/97/40/54/563974054.db2.gz IJGHAPKDBDRGJF-ZDUSSCGKSA-N 0 0 345.395 4.051 50 0 EIAARN O=C(c1c(F)cccc1Cl)N1CC[C@H](c2ccc3c(c2)CCO3)C1 ZINC000585148958 563974177 /nfs/dbraw/zinc/97/41/77/563974177.db2.gz NDYNOYIVEGJCGW-AWEZNQCLSA-N 0 0 345.801 4.044 50 0 EIAARN Cc1ccsc1CCC(=O)N[C@H](c1cccs1)C1CCOCC1 ZINC000585149448 563974195 /nfs/dbraw/zinc/97/41/95/563974195.db2.gz SSDCMXQYRRYJMV-SFHVURJKSA-N 0 0 349.521 4.335 50 0 EIAARN COc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008571810 563974238 /nfs/dbraw/zinc/97/42/38/563974238.db2.gz ZLUGJPBVGZDUCF-UHFFFAOYSA-N 0 0 334.419 4.212 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(O)c1 ZINC000000079184 563974572 /nfs/dbraw/zinc/97/45/72/563974572.db2.gz JBZKHWOFMWKVFO-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N(C)C)c1 ZINC000000078756 563974574 /nfs/dbraw/zinc/97/45/74/563974574.db2.gz AXHOPEPBEFSVMB-UHFFFAOYSA-N 0 0 326.440 4.202 50 0 EIAARN CCOc1ccc(N[C@@H](C(=O)N(CC)CC)c2ccccc2)cc1 ZINC000098081134 563974607 /nfs/dbraw/zinc/97/46/07/563974607.db2.gz FCOVQNAMXQTMHA-LJQANCHMSA-N 0 0 326.440 4.107 50 0 EIAARN CCCc1cc(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)cs1 ZINC000091270217 563975140 /nfs/dbraw/zinc/97/51/40/563975140.db2.gz NULOWNPFXHGUAD-QGZVFWFLSA-N 0 0 345.512 4.291 50 0 EIAARN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](c2ccccc2C)C1 ZINC000091304751 563975228 /nfs/dbraw/zinc/97/52/28/563975228.db2.gz VBAOKLAXJPBPAH-KRWDZBQOSA-N 0 0 339.483 4.355 50 0 EIAARN O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[C@@H]1c1ccccc1 ZINC000091474924 563975392 /nfs/dbraw/zinc/97/53/92/563975392.db2.gz VZCSYUDFQQJWRL-GOSISDBHSA-N 0 0 335.382 4.193 50 0 EIAARN CCCc1nc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)cs1 ZINC000091526229 563975467 /nfs/dbraw/zinc/97/54/67/563975467.db2.gz KECKGJQEFCKYPL-LBPRGKRZSA-N 0 0 334.872 4.379 50 0 EIAARN CC(C)c1nc(CCN2C[C@@](C)(c3ccccc3)CCC2=O)cs1 ZINC000091602993 563975532 /nfs/dbraw/zinc/97/55/32/563975532.db2.gz SCOFKKFFAWOEMT-FQEVSTJZSA-N 0 0 342.508 4.389 50 0 EIAARN CCc1cc([C@@H](C)n2cc(-c3ccccc3-c3ccco3)nn2)on1 ZINC000091643249 563975604 /nfs/dbraw/zinc/97/56/04/563975604.db2.gz NOBCMNQFKYLWDW-CYBMUJFWSA-N 0 0 334.379 4.365 50 0 EIAARN COCC[C@@H]1CCCCN1C(=O)c1[nH]c2c(cc(C)cc2C)c1C ZINC000091663348 563975639 /nfs/dbraw/zinc/97/56/39/563975639.db2.gz TWFQWFPGOLANSN-INIZCTEOSA-N 0 0 328.456 4.124 50 0 EIAARN CCOc1ccccc1CCCNC(=O)c1sc(C(C)C)nc1C ZINC000091695273 563975679 /nfs/dbraw/zinc/97/56/79/563975679.db2.gz KXKHRYAXIPJVDD-UHFFFAOYSA-N 0 0 346.496 4.336 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000043861120 563975821 /nfs/dbraw/zinc/97/58/21/563975821.db2.gz FBMLBYJYBCFLLB-ZDUSSCGKSA-N 0 0 341.455 4.073 50 0 EIAARN Cc1c(Cl)cc(C(=O)N(C)CCC[C@H]2CCCO2)cc1Cl ZINC000092019518 563975973 /nfs/dbraw/zinc/97/59/73/563975973.db2.gz DTRLNVGPIZDQKY-ZDUSSCGKSA-N 0 0 330.255 4.333 50 0 EIAARN C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc2c1CCCC2 ZINC000011430032 563976092 /nfs/dbraw/zinc/97/60/92/563976092.db2.gz GQBKFRLJBBOVKL-UHFFFAOYSA-N 0 0 346.430 4.021 50 0 EIAARN Cc1nc2ccc(C(=O)NCCSC3CCCCC3)cc2nc1C ZINC000095354865 563976672 /nfs/dbraw/zinc/97/66/72/563976672.db2.gz CIGHQWXCFSKFPT-UHFFFAOYSA-N 0 0 343.496 4.042 50 0 EIAARN Fc1cc(OC(Cl)(Cl)Cl)cc(F)c1Br ZINC000095215508 563976705 /nfs/dbraw/zinc/97/67/05/563976705.db2.gz YCFRALFSKCOULF-UHFFFAOYSA-N 0 0 326.351 4.434 50 0 EIAARN CSCc1noc(-c2cc(-c3ccncc3)nc3ccccc32)n1 ZINC000095355315 563976717 /nfs/dbraw/zinc/97/67/17/563976717.db2.gz XOZWATCDWZOZBI-UHFFFAOYSA-N 0 0 334.404 4.210 50 0 EIAARN Cc1ccccc1CCC(=O)N1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095497530 563977005 /nfs/dbraw/zinc/97/70/05/563977005.db2.gz HGHAKWNDUSXUIQ-IBGZPJMESA-N 0 0 339.483 4.111 50 0 EIAARN CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000095529195 563977532 /nfs/dbraw/zinc/97/75/32/563977532.db2.gz KWPMGAAZUXVATQ-GFCCVEGCSA-N 0 0 337.876 4.199 50 0 EIAARN O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072292898 563977629 /nfs/dbraw/zinc/97/76/29/563977629.db2.gz PKACCFLIOCAQCS-RDTXWAMCSA-N 0 0 339.414 4.236 50 0 EIAARN Cc1nn(-c2ccccc2)c2c1CN[C@H](c1ccccc1)c1cccn1-2 ZINC000096077917 563979078 /nfs/dbraw/zinc/97/90/78/563979078.db2.gz HJNYEWOKIPVJSM-OAQYLSRUSA-N 0 0 340.430 4.164 50 0 EIAARN COCC1(CNC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000096141505 563979520 /nfs/dbraw/zinc/97/95/20/563979520.db2.gz VPWQNOJIEFHUDC-UHFFFAOYSA-N 0 0 330.350 4.034 50 0 EIAARN CC[C@@H](C)n1nc(C)cc1NC(=O)NC1(c2cc(F)ccc2F)CC1 ZINC000096151686 563979695 /nfs/dbraw/zinc/97/96/95/563979695.db2.gz NSTSDARSYCCJOR-GFCCVEGCSA-N 0 0 348.397 4.252 50 0 EIAARN CSc1cccc(CN(C)C(=O)Nc2cc(C)nn2C(C)C)c1 ZINC000096162658 563979904 /nfs/dbraw/zinc/97/99/04/563979904.db2.gz SWJAANMACQHMAD-UHFFFAOYSA-N 0 0 332.473 4.158 50 0 EIAARN CCCN(Cc1nccn1C)C(=O)Nc1ccccc1SC(C)C ZINC000096165809 563979961 /nfs/dbraw/zinc/97/99/61/563979961.db2.gz QNUVDNUJJMEEEE-UHFFFAOYSA-N 0 0 346.500 4.365 50 0 EIAARN CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc(-c2ccco2)cc1 ZINC000096165759 563979964 /nfs/dbraw/zinc/97/99/64/563979964.db2.gz XQXRBUDUGMLRNI-KRWDZBQOSA-N 0 0 328.412 4.370 50 0 EIAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)nc(N3CCC(C)CC3)c12 ZINC000096210240 563980177 /nfs/dbraw/zinc/98/01/77/563980177.db2.gz OZOANFWDJBKHGJ-UHFFFAOYSA-N 0 0 347.466 4.238 50 0 EIAARN CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(F)cc1 ZINC000000097672 563980799 /nfs/dbraw/zinc/98/07/99/563980799.db2.gz BLBMITADJVKXJW-UHFFFAOYSA-N 0 0 340.354 4.303 50 0 EIAARN Clc1cccc(CN2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000096769452 563981073 /nfs/dbraw/zinc/98/10/73/563981073.db2.gz IVGJSJQOZDXYQK-UHFFFAOYSA-N 0 0 335.278 4.311 50 0 EIAARN C[C@@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 ZINC000044103268 563981436 /nfs/dbraw/zinc/98/14/36/563981436.db2.gz HSGJVTCVFTZKGF-GFCCVEGCSA-N 0 0 341.386 4.057 50 0 EIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1cc(C(C)C)nn1C ZINC000097288727 563981469 /nfs/dbraw/zinc/98/14/69/563981469.db2.gz RGJDIWHDYVHSJN-QGZVFWFLSA-N 0 0 343.475 4.334 50 0 EIAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cnc2c(c1)CCCC2 ZINC000097474868 563981562 /nfs/dbraw/zinc/98/15/62/563981562.db2.gz KPHXJGQMUFCJAV-UHFFFAOYSA-N 0 0 348.368 4.251 50 0 EIAARN O=C(c1cnc(C2CC2)nc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000097547883 563981652 /nfs/dbraw/zinc/98/16/52/563981652.db2.gz QIHCLZRJOQSLBX-UHFFFAOYSA-N 0 0 343.430 4.197 50 0 EIAARN COc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC ZINC000011644853 563981667 /nfs/dbraw/zinc/98/16/67/563981667.db2.gz WBTJTLBNBUBDFS-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN CCc1nc(C)c(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)o1 ZINC000097528929 563981685 /nfs/dbraw/zinc/98/16/85/563981685.db2.gz IWYLXTSTQHGUDQ-IBGZPJMESA-N 0 0 349.434 4.077 50 0 EIAARN CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000100717288 563982730 /nfs/dbraw/zinc/98/27/30/563982730.db2.gz CVTXGQVFZVMYEC-MRXNPFEDSA-N 0 0 338.411 4.195 50 0 EIAARN c1csc(CCNc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000014103813 563983226 /nfs/dbraw/zinc/98/32/26/563983226.db2.gz KEHNREGVFUANSJ-UHFFFAOYSA-N 0 0 330.434 4.255 50 0 EIAARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NCCC1=CCCCC1 ZINC000004830105 563983446 /nfs/dbraw/zinc/98/34/46/563983446.db2.gz QKWKOXYAGAFQAB-CYBMUJFWSA-N 0 0 329.469 4.050 50 0 EIAARN O=C(Cc1c(Cl)cccc1Cl)NCCSc1ccccc1 ZINC000003104864 563983475 /nfs/dbraw/zinc/98/34/75/563983475.db2.gz HUTSQPXAXRKPDQ-UHFFFAOYSA-N 0 0 340.275 4.444 50 0 EIAARN C[C@@H](OC(=O)c1cccc2cnccc21)C(=O)c1ccc2c(c1)CCC2 ZINC000072312551 563983941 /nfs/dbraw/zinc/98/39/41/563983941.db2.gz FLDBGKZPOQOHCB-CQSZACIVSA-N 0 0 345.398 4.152 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000014393798 563984077 /nfs/dbraw/zinc/98/40/77/563984077.db2.gz NWZYWANZEMGXEW-UHFFFAOYSA-N 0 0 349.333 4.106 50 0 EIAARN C[C@H](Sc1nncn1-c1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000004835171 563984089 /nfs/dbraw/zinc/98/40/89/563984089.db2.gz LZKPGICZFRYARA-LBPRGKRZSA-N 0 0 343.839 4.284 50 0 EIAARN Cc1nc2sc3c(c2c(N2CCc4ccccc4C2)n1)CCCC3 ZINC000000109643 563986546 /nfs/dbraw/zinc/98/65/46/563986546.db2.gz WEGOIQSHAYUSDK-UHFFFAOYSA-N 0 0 335.476 4.441 50 0 EIAARN Cn1c2ccccc2nc1SCC(=O)c1ccccc1OC(F)F ZINC000000119757 563986746 /nfs/dbraw/zinc/98/67/46/563986746.db2.gz WVPRDVIJHKSROS-UHFFFAOYSA-N 0 0 348.374 4.150 50 0 EIAARN CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(O)cc1 ZINC000000131530 563986978 /nfs/dbraw/zinc/98/69/78/563986978.db2.gz AGMULDHOHNYIFH-UHFFFAOYSA-N 0 0 336.391 4.423 50 0 EIAARN COc1ccc(-c2cc(=O)c3cc(OC(=O)C(C)C)ccc3o2)cc1 ZINC000000132563 563987014 /nfs/dbraw/zinc/98/70/14/563987014.db2.gz AQLSPRFYNGCEFB-UHFFFAOYSA-N 0 0 338.359 4.030 50 0 biogenic EIAARN Cc1ccccc1-c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000000178736 563987763 /nfs/dbraw/zinc/98/77/63/563987763.db2.gz VMSMONIUPXRCHO-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)c(C)c1 ZINC000000184021 563987920 /nfs/dbraw/zinc/98/79/20/563987920.db2.gz VXYHZELVPLIEFS-UHFFFAOYSA-N 0 0 343.477 4.226 50 0 EIAARN Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C(C)C)CCC3)c1 ZINC000000186229 563988034 /nfs/dbraw/zinc/98/80/34/563988034.db2.gz PSPNCAZRSHRURF-UHFFFAOYSA-N 0 0 342.464 4.392 50 0 EIAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C)cc1 ZINC000000190383 563988125 /nfs/dbraw/zinc/98/81/25/563988125.db2.gz VDBROTQTLCVDEX-UHFFFAOYSA-N 0 0 325.389 4.249 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 ZINC000011690665 563988224 /nfs/dbraw/zinc/98/82/24/563988224.db2.gz LGIDKBYHTIXVGY-UHFFFAOYSA-N 0 0 337.297 4.119 50 0 EIAARN Cc1cc(C)cc(NC(=O)CN2c3cccc4cccc(c34)C2=O)c1 ZINC000000204140 563988356 /nfs/dbraw/zinc/98/83/56/563988356.db2.gz XBCXUEHMIJQEHB-UHFFFAOYSA-N 0 0 330.387 4.056 50 0 EIAARN COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)c(OC)c1 ZINC000000205106 563988488 /nfs/dbraw/zinc/98/84/88/563988488.db2.gz NREFBVDOLLBVKK-UHFFFAOYSA-N 0 0 338.407 4.065 50 0 EIAARN O=c1oc2ccc(Cl)cc2cc1-c1cn2cc(Cl)ccc2n1 ZINC000000244907 563989201 /nfs/dbraw/zinc/98/92/01/563989201.db2.gz BOGFSYNPPDEDKY-UHFFFAOYSA-N 0 0 331.158 4.415 50 0 EIAARN Cc1ccccc1N1C(=S)N[C@H]2c3ccccc3O[C@@]13CCC[C@H]23 ZINC000000248508 563989451 /nfs/dbraw/zinc/98/94/51/563989451.db2.gz SIPQBIIILZSEFT-MOXGXCLJSA-N 0 0 336.460 4.320 50 0 EIAARN Cc1ccc(N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 ZINC000000251534 563989527 /nfs/dbraw/zinc/98/95/27/563989527.db2.gz YSHRUGUQDTYBJX-NSHDSACASA-N 0 0 337.678 4.266 50 0 EIAARN COc1ccccc1NC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000000264469 563989878 /nfs/dbraw/zinc/98/98/78/563989878.db2.gz RAGIRAMHRDKONR-UHFFFAOYSA-N 0 0 332.403 4.375 50 0 EIAARN COc1ccccc1[C@@H](O)c1nc2ccccc2n1Cc1ccccc1 ZINC000000266690 563989963 /nfs/dbraw/zinc/98/99/63/563989963.db2.gz BQBITIRKQSSNFH-OAQYLSRUSA-N 0 0 344.414 4.175 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000000268236 563989984 /nfs/dbraw/zinc/98/99/84/563989984.db2.gz GYLQPJUVUYEQNM-WEVVVXLNSA-N 0 0 347.798 4.018 50 0 EIAARN O[C@@H](COc1ccc(-c2ccccc2)cc1)CSc1ccccn1 ZINC000011692535 563991008 /nfs/dbraw/zinc/99/10/08/563991008.db2.gz LBSJNTKZLYCLKB-SFHVURJKSA-N 0 0 337.444 4.281 50 0 EIAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C(C)C)n1 ZINC000011695174 563991513 /nfs/dbraw/zinc/99/15/13/563991513.db2.gz UXYMYKBAGNZCIG-UHFFFAOYSA-N 0 0 342.226 4.097 50 0 EIAARN CCc1ccc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2O)cc1 ZINC000000359384 563991644 /nfs/dbraw/zinc/99/16/44/563991644.db2.gz USDVTJLJZRHTAY-AWEZNQCLSA-N 0 0 327.424 4.486 50 0 EIAARN Cn1c(SCc2ccccc2Cl)nnc1-c1ccc(N)cc1 ZINC000000368129 563991756 /nfs/dbraw/zinc/99/17/56/563991756.db2.gz TWGDEVKAYGKFNA-UHFFFAOYSA-N 0 0 330.844 4.010 50 0 EIAARN CCc1ccc([C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C(C)C)cc1 ZINC000024106964 563991915 /nfs/dbraw/zinc/99/19/15/563991915.db2.gz SQSLOSZHPZQCSC-XNMUZJSGSA-N 0 0 341.495 4.458 50 0 EIAARN CCCc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)n(C)n1 ZINC000000385455 563991984 /nfs/dbraw/zinc/99/19/84/563991984.db2.gz VZIVQDOREQTJJI-UHFFFAOYSA-N 0 0 335.407 4.417 50 0 EIAARN CCCc1nn(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl ZINC000000385489 563992010 /nfs/dbraw/zinc/99/20/10/563992010.db2.gz VCKOJFIFZBJXSC-UHFFFAOYSA-N 0 0 345.752 4.297 50 0 EIAARN CCCCC1CCC(C(=O)Nc2c3ccccc3oc2C(N)=O)CC1 ZINC000004851872 563992055 /nfs/dbraw/zinc/99/20/55/563992055.db2.gz FDGICLAIGLPZOT-UHFFFAOYSA-N 0 0 342.439 4.467 50 0 EIAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000004854172 563992100 /nfs/dbraw/zinc/99/21/00/563992100.db2.gz PPAFAOPHTZRXQW-FQEVSTJZSA-N 0 0 331.419 4.434 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)c1c(F)cccc1Cl ZINC000004900362 563992324 /nfs/dbraw/zinc/99/23/24/563992324.db2.gz DZARWWCIYVROAF-UHFFFAOYSA-N 0 0 331.778 4.491 50 0 EIAARN OCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 ZINC000004908445 563992389 /nfs/dbraw/zinc/99/23/89/563992389.db2.gz GSTFNHPQJLZTDL-UHFFFAOYSA-N 0 0 332.403 4.151 50 0 EIAARN CCc1ccc(NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1 ZINC000004940367 563992681 /nfs/dbraw/zinc/99/26/81/563992681.db2.gz KXTXJXHGWKJIFZ-UHFFFAOYSA-N 0 0 346.430 4.020 50 0 EIAARN C[C@@H](Cc1cccs1)C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000408512972 563992693 /nfs/dbraw/zinc/99/26/93/563992693.db2.gz OLTHDJOEFIFKKY-INIZCTEOSA-N 0 0 343.492 4.135 50 0 EIAARN COc1cccc(NC(=O)c2cc3cccc(C)c3nc2Cl)c1 ZINC000408517040 563992875 /nfs/dbraw/zinc/99/28/75/563992875.db2.gz VWAHCZITRFPNOD-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN COCc1csc(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000408515325 563992970 /nfs/dbraw/zinc/99/29/70/563992970.db2.gz TTWHVBICHCIRSO-UHFFFAOYSA-N 0 0 330.434 4.270 50 0 EIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)s1 ZINC000257365502 563993336 /nfs/dbraw/zinc/99/33/36/563993336.db2.gz FPOYGYCUNRHSFP-MCIONIFRSA-N 0 0 345.468 4.030 50 0 EIAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c(C)c1 ZINC000004960577 563993427 /nfs/dbraw/zinc/99/34/27/563993427.db2.gz UYNNAPXGNNTKLS-LJQANCHMSA-N 0 0 333.391 4.058 50 0 EIAARN Cc1csc(SCc2cc3c(cc2Br)OCO3)n1 ZINC000004961433 563993445 /nfs/dbraw/zinc/99/34/45/563993445.db2.gz KJZKBKSFYLACKS-UHFFFAOYSA-N 0 0 344.255 4.235 50 0 EIAARN O=C1[C@@H]2c3ccccc3-c3ccccc3[C@H]2C(=O)N1C1CCCCC1 ZINC000135754765 563993584 /nfs/dbraw/zinc/99/35/84/563993584.db2.gz VXJLULUMNAIZPU-WOJBJXKFSA-N 0 0 331.415 4.236 50 0 EIAARN CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1C ZINC000004995231 563993726 /nfs/dbraw/zinc/99/37/26/563993726.db2.gz FBOSUGFPAUBSKV-UHFFFAOYSA-N 0 0 334.419 4.088 50 0 EIAARN CC(C)NC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036740 563993954 /nfs/dbraw/zinc/99/39/54/563993954.db2.gz MZIVUSMSRBDPMD-CYBMUJFWSA-N 0 0 341.842 4.442 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)C1CC1 ZINC000005035486 563993987 /nfs/dbraw/zinc/99/39/87/563993987.db2.gz DWFMXOSEVVFWDU-UHFFFAOYSA-N 0 0 338.338 4.173 50 0 EIAARN Cc1cc(C(=O)Nc2cnn(-c3ccccc3)c2)c(Cl)cc1F ZINC000121403985 563994123 /nfs/dbraw/zinc/99/41/23/563994123.db2.gz RKXOQQSOZXLXMV-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN N=c1oc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005125380 563994453 /nfs/dbraw/zinc/99/44/53/563994453.db2.gz ZZQUIBPMWWZJIX-UHFFFAOYSA-N 0 0 332.281 4.183 50 0 EIAARN Cc1ccccc1NCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000005127483 563994468 /nfs/dbraw/zinc/99/44/68/563994468.db2.gz VXPSJKGQAHQZES-MHWRWJLKSA-N 0 0 342.395 4.240 50 0 EIAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000005136352 563994546 /nfs/dbraw/zinc/99/45/46/563994546.db2.gz QOLZUEBEZUKMTN-UHFFFAOYSA-N 0 0 340.398 4.013 50 0 EIAARN Cc1cc(NC(=O)C[C@@H](C)c2ccccc2)ccc1N1CCCC1=O ZINC000011743232 563994854 /nfs/dbraw/zinc/99/48/54/563994854.db2.gz YUCWRZKAARMMDF-OAHLLOKOSA-N 0 0 336.435 4.254 50 0 EIAARN COc1cccc(C(=O)Oc2ccc(/C=C/c3ccccn3)cc2)c1 ZINC000011858859 563995196 /nfs/dbraw/zinc/99/51/96/563995196.db2.gz QMMILPFNIZQYDI-DHZHZOJOSA-N 0 0 331.371 4.480 50 0 EIAARN Cc1oc(-c2cccc(C)c2)nc1CN(Cc1cnn(C)c1)C(C)C ZINC000011879090 563995289 /nfs/dbraw/zinc/99/52/89/563995289.db2.gz SKRSGVUUXZAMAH-UHFFFAOYSA-N 0 0 338.455 4.103 50 0 EIAARN COc1cc(F)c(NCc2nc(-c3ccc(C)c(F)c3)no2)cc1F ZINC000125073532 563995431 /nfs/dbraw/zinc/99/54/31/563995431.db2.gz UIEQTPMZMRLCBL-UHFFFAOYSA-N 0 0 349.312 4.083 50 0 EIAARN C[C@H](NC(=O)[C@H]1C[C@H]1c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000248233858 563995572 /nfs/dbraw/zinc/99/55/72/563995572.db2.gz CVTBASIDJAHXSE-UVBJJODRSA-N 0 0 334.341 4.081 50 0 EIAARN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000248233854 563995582 /nfs/dbraw/zinc/99/55/82/563995582.db2.gz CVTBASIDJAHXSE-KNXALSJPSA-N 0 0 334.341 4.081 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000011986081 563995646 /nfs/dbraw/zinc/99/56/46/563995646.db2.gz LCFDUMDWDAFAJY-UHFFFAOYSA-N 0 0 330.384 4.468 50 0 EIAARN Cc1cc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nc(C)n1 ZINC000012016756 563995699 /nfs/dbraw/zinc/99/56/99/563995699.db2.gz FHEMORDBLMEGMT-NSHDSACASA-N 0 0 335.860 4.175 50 0 EIAARN CC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000148012 563996235 /nfs/dbraw/zinc/99/62/35/563996235.db2.gz FJKRCBVJIUJMSB-UHFFFAOYSA-N 0 0 344.750 4.207 50 0 biogenic,in-vitro EIAARN CC(C)c1noc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000179069392 563996908 /nfs/dbraw/zinc/99/69/08/563996908.db2.gz UTKIHLBTMQLCNQ-QGZVFWFLSA-N 0 0 342.830 4.121 50 0 EIAARN Cc1cccc(-c2nnc(SCC(=O)OC3CCCCC3)o2)c1 ZINC000000411517 563998081 /nfs/dbraw/zinc/99/80/81/563998081.db2.gz HWIWQSZLTHANKF-UHFFFAOYSA-N 0 0 332.425 4.013 50 0 EIAARN COc1ccc(Cl)cc1N1C(=O)CS[C@H]1c1ccccc1F ZINC000000423919 563998399 /nfs/dbraw/zinc/99/83/99/563998399.db2.gz MYERMKNNSDVUOB-INIZCTEOSA-N 0 0 337.803 4.266 50 0 EIAARN O=C(NCCn1ccc2ccccc21)c1ccc(Cl)cc1Cl ZINC000000427825 563998824 /nfs/dbraw/zinc/99/88/24/563998824.db2.gz BWKWKJHMJAVNMJ-UHFFFAOYSA-N 0 0 333.218 4.378 50 0 EIAARN COc1ccc(/C=C/C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 ZINC000000430577 563999404 /nfs/dbraw/zinc/99/94/04/563999404.db2.gz SXMBSHWRGKEJJU-VRFFGNBWSA-N 0 0 331.371 4.261 50 0 EIAARN CC[C@H](NC(=O)N(C)Cc1scnc1C)c1ccc(Cl)cc1 ZINC000066698504 563999458 /nfs/dbraw/zinc/99/94/58/563999458.db2.gz BXPHJXGEEQOSBW-AWEZNQCLSA-N 0 0 337.876 4.398 50 0 EIAARN COc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1OC ZINC000005169338 563999855 /nfs/dbraw/zinc/99/98/55/563999855.db2.gz ZWRAUHXFCNJXQA-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN O=c1nc(CSc2ccccc2F)[nH]c2sc3c(c21)CCCC3 ZINC000005174287 563999952 /nfs/dbraw/zinc/99/99/52/563999952.db2.gz QMXYZRZKENQEQO-UHFFFAOYSA-N 0 0 346.452 4.295 50 0 EIAARN O=C1CCCC[C@@H]1Sc1nn(-c2ccc(F)cc2)c(=S)s1 ZINC000005175989 563999990 /nfs/dbraw/zinc/99/99/90/563999990.db2.gz RBVOGULSVMAVGE-LBPRGKRZSA-N 0 0 340.470 4.406 50 0 EIAARN CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(C)cc1 ZINC000005196315 564000309 /nfs/dbraw/zinc/00/03/09/564000309.db2.gz 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/nfs/dbraw/zinc/00/12/79/564001279.db2.gz QYILMSLXJXAJFW-KRWDZBQOSA-N 0 0 327.815 4.105 50 0 EIAARN Cc1cc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)ccc1Cl ZINC000005235899 564001402 /nfs/dbraw/zinc/00/14/02/564001402.db2.gz WJTXDVRLQJSRTL-LBPRGKRZSA-N 0 0 325.799 4.045 50 0 EIAARN O=C1OCC[C@H]1Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000005255706 564001609 /nfs/dbraw/zinc/00/16/09/564001609.db2.gz CLZLXFFLRNGPFS-LLVKDONJSA-N 0 0 348.474 4.274 50 0 EIAARN O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1cccs1 ZINC000005256503 564001623 /nfs/dbraw/zinc/00/16/23/564001623.db2.gz DECHDCSDJCOPET-QGZVFWFLSA-N 0 0 341.411 4.326 50 0 EIAARN COc1cccc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000005262072 564001674 /nfs/dbraw/zinc/00/16/74/564001674.db2.gz HTAOOTHCVROVOH-JTQLQIEISA-N 0 0 339.222 4.441 50 0 EIAARN CCn1cc(NC(=O)NCc2c(F)cccc2F)c2ccccc21 ZINC000005266090 564001722 /nfs/dbraw/zinc/00/17/22/564001722.db2.gz URXDMSDWZDBXIB-UHFFFAOYSA-N 0 0 329.350 4.261 50 0 EIAARN CCn1cc(NC(=O)NCCc2ccc(OC)cc2)c2ccccc21 ZINC000005266074 564001743 /nfs/dbraw/zinc/00/17/43/564001743.db2.gz IRHGLVHUMBRIMW-UHFFFAOYSA-N 0 0 337.423 4.034 50 0 EIAARN COc1ccc(-c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nn1 ZINC000005259550 564001772 /nfs/dbraw/zinc/00/17/72/564001772.db2.gz OJXTZXSTWRXURK-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 EIAARN COc1ccc(-c2cccc(NC(=O)c3ccccc3Cl)c2)nn1 ZINC000005259483 564001779 /nfs/dbraw/zinc/00/17/79/564001779.db2.gz OLBMPECLLCETOW-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN Fc1cc(Br)cc([C@H](CC2CC2)NCc2ccon2)c1 ZINC000188185162 564001882 /nfs/dbraw/zinc/00/18/82/564001882.db2.gz FYGDHMMRRKUNLH-HNNXBMFYSA-N 0 0 339.208 4.207 50 0 EIAARN Cc1[nH]c2ccccc2c1C1=CCN(Cc2nnc(C3CC3)o2)CC1 ZINC000080916046 564001979 /nfs/dbraw/zinc/00/19/79/564001979.db2.gz PVYXDXWOCMWCLE-UHFFFAOYSA-N 0 0 334.423 4.026 50 0 EIAARN O=C(Cc1cccs1)N1CCC[C@@H]1c1nc(C2CCCCC2)no1 ZINC000193168516 564002150 /nfs/dbraw/zinc/00/21/50/564002150.db2.gz WHXBBWTWDHVBDU-OAHLLOKOSA-N 0 0 345.468 4.085 50 0 EIAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc2-c2cscn2)c1 ZINC000005269611 564002165 /nfs/dbraw/zinc/00/21/65/564002165.db2.gz IEZJOJCGRFGQGE-UHFFFAOYSA-N 0 0 348.431 4.107 50 0 EIAARN Cc1cccc(Cn2cccc(C(=O)Nc3ccc(C)c(C)c3)c2=O)c1 ZINC000005269704 564002188 /nfs/dbraw/zinc/00/21/88/564002188.db2.gz FLGLEKZPCXMUGV-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN CSc1cccc2sc(NC(=O)Cc3ccc(F)cc3)nc21 ZINC000005299304 564002520 /nfs/dbraw/zinc/00/25/20/564002520.db2.gz MZMOOIJJMMEPCF-UHFFFAOYSA-N 0 0 332.425 4.339 50 0 EIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3c(C)cccc3C)n[nH]2)cc1C ZINC000005343144 564002803 /nfs/dbraw/zinc/00/28/03/564002803.db2.gz HBVSKWWDDFMTJC-UHFFFAOYSA-N 0 0 335.407 4.268 50 0 EIAARN Cc1cc(C)c(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)c(O)c1 ZINC000005343278 564002822 /nfs/dbraw/zinc/00/28/22/564002822.db2.gz ZPZPFAAUVQHVAA-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)Nc2ccc(F)cc2)s1 ZINC000005354195 564002867 /nfs/dbraw/zinc/00/28/67/564002867.db2.gz LVHXUHNZUVSELM-UHFFFAOYSA-N 0 0 347.440 4.124 50 0 EIAARN COc1ccccc1Nc1ncnc2c1c(C)c(C)n2-c1ccccn1 ZINC000005345185 564002901 /nfs/dbraw/zinc/00/29/01/564002901.db2.gz HEJFDCIEHLKYQX-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN Cc1noc(C)c1CSc1nnc(-c2cccs2)n1C1CC1 ZINC000005358688 564003011 /nfs/dbraw/zinc/00/30/11/564003011.db2.gz CHKINSOAOMHVCH-UHFFFAOYSA-N 0 0 332.454 4.239 50 0 EIAARN CCOc1ccc2ccccc2c1C(=O)N(Cc1cccn1C)C1CC1 ZINC000062150583 564003554 /nfs/dbraw/zinc/00/35/54/564003554.db2.gz GCLWZUJSHGJLDR-UHFFFAOYSA-N 0 0 348.446 4.382 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)C1CC1)C[C@H](C(C)(C)C)CC2 ZINC000001990728 564003665 /nfs/dbraw/zinc/00/36/65/564003665.db2.gz RFWJJMKHMCRKBN-LLVKDONJSA-N 0 0 335.469 4.034 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)N[C@H]1CCSc2ccccc21 ZINC000005425664 564003810 /nfs/dbraw/zinc/00/38/10/564003810.db2.gz BSRUNAWPPORSGJ-HNNXBMFYSA-N 0 0 335.831 4.375 50 0 EIAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1Cl ZINC000005440499 564004023 /nfs/dbraw/zinc/00/40/23/564004023.db2.gz HXQOELZRHDJSNB-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC000003166650 564004109 /nfs/dbraw/zinc/00/41/09/564004109.db2.gz GMJPYZNYHDVOST-UHFFFAOYSA-N 0 0 340.320 4.342 50 0 EIAARN O=C1N[C@](c2ccccc2)(C(F)(F)F)SC2=CCCCCN12 ZINC000003145505 564004176 /nfs/dbraw/zinc/00/41/76/564004176.db2.gz IWJPJJGWCQBIIU-AWEZNQCLSA-N 0 0 328.359 4.185 50 0 EIAARN CC(=O)Nc1ccc(C(=O)OCCSc2ccc(Cl)cc2)cc1 ZINC000005459297 564004288 /nfs/dbraw/zinc/00/42/88/564004288.db2.gz CPEMRHZFEWXNTA-UHFFFAOYSA-N 0 0 349.839 4.248 50 0 EIAARN C[C@H](NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000003269477 564004312 /nfs/dbraw/zinc/00/43/12/564004312.db2.gz MMKXPHBFZIXHRC-AWEZNQCLSA-N 0 0 340.492 4.350 50 0 EIAARN C[C@@H](OC(=O)c1cc2ccccc2o1)c1nnc(-c2cccs2)o1 ZINC000005472204 564004473 /nfs/dbraw/zinc/00/44/73/564004473.db2.gz XZJYTRIIKJBGAL-SNVBAGLBSA-N 0 0 340.360 4.462 50 0 EIAARN Cc1ccc(/C=C/C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)o1 ZINC000003449519 564004565 /nfs/dbraw/zinc/00/45/65/564004565.db2.gz 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/nfs/dbraw/zinc/00/51/71/564005171.db2.gz UKTWKRBQHJPMQD-UHFFFAOYSA-N 0 0 343.448 4.030 50 0 EIAARN CC(C)N(C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1)C(C)C ZINC000004664728 564005347 /nfs/dbraw/zinc/00/53/47/564005347.db2.gz PKKSQJWEZOZUAW-AQTBWJFISA-N 0 0 337.423 4.142 50 0 EIAARN Cc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000005560999 564005576 /nfs/dbraw/zinc/00/55/76/564005576.db2.gz HLTWLSWNVJDYSK-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN COc1ccc2c(CC(=O)NC34CC5CC(CC(C5)C3)C4)coc2c1 ZINC000005557231 564006072 /nfs/dbraw/zinc/00/60/72/564006072.db2.gz IPJLIWOXQMSQRL-UHFFFAOYSA-N 0 0 339.435 4.069 50 0 EIAARN COc1ccc(C(=O)CSc2ccc3ccccc3n2)c(OC)c1 ZINC000005627154 564006684 /nfs/dbraw/zinc/00/66/84/564006684.db2.gz SAHZEFNCXHYBHI-UHFFFAOYSA-N 0 0 339.416 4.227 50 0 EIAARN C[C@H](CNC(=O)CSc1ccc2ccccc2n1)c1ccccc1 ZINC000005626864 564006685 /nfs/dbraw/zinc/00/66/85/564006685.db2.gz QAIAEZKCSTVLAE-OAHLLOKOSA-N 0 0 336.460 4.247 50 0 EIAARN Cc1cc(C)cc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000273329455 564007737 /nfs/dbraw/zinc/00/77/37/564007737.db2.gz TXNMPJKWMVFOQI-WOJBJXKFSA-N 0 0 341.426 4.435 50 0 EIAARN CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(C)c(C)c3)cc21 ZINC000017247774 564011434 /nfs/dbraw/zinc/01/14/34/564011434.db2.gz GYXDEODOUBGLLL-UHFFFAOYSA-N 0 0 336.435 4.245 50 0 EIAARN CCOc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)c(C)c2c1 ZINC000017303683 564011551 /nfs/dbraw/zinc/01/15/51/564011551.db2.gz LAQSFECSUFTHOG-UHFFFAOYSA-N 0 0 335.363 4.269 50 0 EIAARN COCc1c(C(=O)Nc2cccc(OC)c2)sc2cccc(F)c21 ZINC000017335086 564011716 /nfs/dbraw/zinc/01/17/16/564011716.db2.gz XQBGSSONVLILNB-UHFFFAOYSA-N 0 0 345.395 4.448 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)c3cc4ccccc4s3)cnc21 ZINC000017574026 564011978 /nfs/dbraw/zinc/01/19/78/564011978.db2.gz DCDKJHKUCTYPJS-UHFFFAOYSA-N 0 0 336.420 4.479 50 0 EIAARN Cc1cccc(-c2nnc([C@H](C)Sc3nnc(C(C)C)[nH]3)o2)c1 ZINC000017673790 564012062 /nfs/dbraw/zinc/01/20/62/564012062.db2.gz 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/nfs/dbraw/zinc/01/39/28/564013928.db2.gz GYTZYMZDVPYUST-CYBMUJFWSA-N 0 0 332.241 4.259 50 0 EIAARN O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccc(Cl)s1 ZINC000585148256 564014772 /nfs/dbraw/zinc/01/47/72/564014772.db2.gz UTIWAVFXGJGSRS-ZDUSSCGKSA-N 0 0 347.823 4.125 50 0 EIAARN COCC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000206896533 564015330 /nfs/dbraw/zinc/01/53/30/564015330.db2.gz NFCCDCQECBOEET-UHFFFAOYSA-N 0 0 342.395 4.201 50 0 EIAARN CCOC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)C)C2 ZINC000000483759 564016846 /nfs/dbraw/zinc/01/68/46/564016846.db2.gz FPARACPOUNLZSN-SNVBAGLBSA-N 0 0 339.457 4.254 50 0 EIAARN C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(-n2ccnc2)cc1 ZINC000018048019 564017821 /nfs/dbraw/zinc/01/78/21/564017821.db2.gz RUWNAFXJLBDIMQ-AWEZNQCLSA-N 0 0 331.375 4.110 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000018114674 564018068 /nfs/dbraw/zinc/01/80/68/564018068.db2.gz QGLDTDVFZFEJGX-UHFFFAOYSA-N 0 0 342.826 4.023 50 0 EIAARN Cc1ccc2oc(C(=O)Nc3nc(C(C)(C)C)cs3)cc(=O)c2c1 ZINC000018120110 564018229 /nfs/dbraw/zinc/01/82/29/564018229.db2.gz CTLKZKTVDXRTPJ-UHFFFAOYSA-N 0 0 342.420 4.108 50 0 EIAARN CSC1=N[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000005686192 564018715 /nfs/dbraw/zinc/01/87/15/564018715.db2.gz DBMDIRLMQDAWHU-OAHLLOKOSA-N 0 0 343.477 4.024 50 0 EIAARN CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000018232280 564018877 /nfs/dbraw/zinc/01/88/77/564018877.db2.gz CZUVXIHKCHXZDC-KRWDZBQOSA-N 0 0 349.261 4.122 50 0 EIAARN C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000005689763 564018933 /nfs/dbraw/zinc/01/89/33/564018933.db2.gz AJYVRGFCLPQLCT-NSHDSACASA-N 0 0 340.370 4.070 50 0 EIAARN O=c1oc(-c2ccccc2Br)nc2sc3c(c21)CCC3 ZINC000000501497 564019056 /nfs/dbraw/zinc/01/90/56/564019056.db2.gz NKCAQJGMPKPLAK-UHFFFAOYSA-N 0 0 348.221 4.168 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)c1 ZINC000102168693 564019931 /nfs/dbraw/zinc/01/99/31/564019931.db2.gz XDTOZEPVXMWZFN-HHXXYDBFSA-N 0 0 346.467 4.464 50 0 EIAARN O=C(NC1=NCCS1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000000513835 564020387 /nfs/dbraw/zinc/02/03/87/564020387.db2.gz VBQDZUJEMWXKFT-UHFFFAOYSA-N 0 0 341.219 4.086 50 0 EIAARN COc1ccc(C(=O)Nc2ccc3nc(SC)sc3c2)cc1 ZINC000000526886 564021242 /nfs/dbraw/zinc/02/12/42/564021242.db2.gz AKWYYMLMGTZLKA-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN COc1cccc([C@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)c1 ZINC000000531926 564021660 /nfs/dbraw/zinc/02/16/60/564021660.db2.gz NHEILUXZPKBHNZ-IAGOWNOFSA-N 0 0 340.814 4.086 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1ncnc2sc3c(c21)CCCC3 ZINC000000543407 564022514 /nfs/dbraw/zinc/02/25/14/564022514.db2.gz COEWBQGGHBEWRT-ZHACJKMWSA-N 0 0 335.432 4.222 50 0 EIAARN CCOC(=O)[C@H](Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000000549272 564022916 /nfs/dbraw/zinc/02/29/16/564022916.db2.gz QJPFEAYAWOQJHU-CQSZACIVSA-N 0 0 328.799 4.106 50 0 EIAARN O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000046722305 564022938 /nfs/dbraw/zinc/02/29/38/564022938.db2.gz MVWMPRLNZBHMPC-MSOLQXFVSA-N 0 0 349.365 4.150 50 0 EIAARN COc1cccc(OC)c1C(=O)Nc1cccc(Cl)c1Cl ZINC000000560070 564023253 /nfs/dbraw/zinc/02/32/53/564023253.db2.gz SFHABYBKNKOCLV-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1c(C)n(C[C@@H](O)CNc2ccc(Cl)cc2)c2ccccc12 ZINC000000571494 564023723 /nfs/dbraw/zinc/02/37/23/564023723.db2.gz SYGUIGMPBJPJSN-KRWDZBQOSA-N 0 0 328.843 4.385 50 0 EIAARN Cc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)Nc1ccc(F)c(F)c1 ZINC000096281947 564023755 /nfs/dbraw/zinc/02/37/55/564023755.db2.gz BSLQQPRPQLMGTO-UHFFFAOYSA-N 0 0 346.312 4.446 50 0 EIAARN O=C(Cc1ccc(F)cc1)Nc1cnc(-c2cccc(Cl)c2)nc1 ZINC000097938599 564023799 /nfs/dbraw/zinc/02/37/99/564023799.db2.gz XQEAPPYFCNIDMK-UHFFFAOYSA-N 0 0 341.773 4.117 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000000577223 564024201 /nfs/dbraw/zinc/02/42/01/564024201.db2.gz FEVWMVSHPSPQEU-UHFFFAOYSA-N 0 0 349.415 4.324 50 0 EIAARN COc1ccc(-c2cc(C(=O)NCc3ccc(C(C)C)cc3)[nH]n2)cc1 ZINC000051315887 564024323 /nfs/dbraw/zinc/02/43/23/564024323.db2.gz 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HDRMSRVQNQWNPE-UHFFFAOYSA-N 0 0 337.398 4.128 50 0 EIAARN COC(=O)Nc1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1 ZINC000047583962 564026504 /nfs/dbraw/zinc/02/65/04/564026504.db2.gz ROTRDVHNRFKDTD-UHFFFAOYSA-N 0 0 347.802 4.182 50 0 EIAARN CSc1ccsc1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000107130459 564026826 /nfs/dbraw/zinc/02/68/26/564026826.db2.gz RSJSKQYHFCVQON-ZBFHGGJFSA-N 0 0 347.505 4.368 50 0 EIAARN Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000044712024 564027123 /nfs/dbraw/zinc/02/71/23/564027123.db2.gz LCWIOZAPENDODY-UHFFFAOYSA-N 0 0 348.493 4.243 50 0 EIAARN O=C(c1cccnc1Nc1cccc(F)c1)N1CCCCCCC1 ZINC000044873265 564027236 /nfs/dbraw/zinc/02/72/36/564027236.db2.gz XUCGAYBDBALSHU-UHFFFAOYSA-N 0 0 327.403 4.371 50 0 EIAARN CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000044894206 564027565 /nfs/dbraw/zinc/02/75/65/564027565.db2.gz BJWDCMRSGMBKMY-UHFFFAOYSA-N 0 0 338.382 4.072 50 0 EIAARN Cc1ccc(-c2cnc(CCC(=O)N(C)Cc3ccco3)o2)cc1C ZINC000044894309 564027580 /nfs/dbraw/zinc/02/75/80/564027580.db2.gz DMQKPHNTELWMDN-UHFFFAOYSA-N 0 0 338.407 4.143 50 0 EIAARN CCC[C@@H](c1ccccn1)N(C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000108144696 564027873 /nfs/dbraw/zinc/02/78/73/564027873.db2.gz AYUFHFUHWHRCBY-XLIONFOSSA-N 0 0 339.483 4.499 50 0 EIAARN FC(F)(F)c1cnc(SCc2nc(C3CC3)no2)c(Cl)c1 ZINC000045002993 564028029 /nfs/dbraw/zinc/02/80/29/564028029.db2.gz ORYLOJOYLAUATP-UHFFFAOYSA-N 0 0 335.738 4.307 50 0 EIAARN Cc1nc(CSc2ccccc2C(=O)Nc2cccc(F)c2)no1 ZINC000045851789 564028752 /nfs/dbraw/zinc/02/87/52/564028752.db2.gz FBTDIGUTNMQQND-UHFFFAOYSA-N 0 0 343.383 4.062 50 0 EIAARN Cc1cccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC2(C)C)c1 ZINC000045933106 564028941 /nfs/dbraw/zinc/02/89/41/564028941.db2.gz LGWOLRMLSFBYJU-UHFFFAOYSA-N 0 0 340.423 4.143 50 0 EIAARN CCOc1nc2ccccc2nc1C(=O)Nc1ccc(F)cc1Cl ZINC000045967158 564029020 /nfs/dbraw/zinc/02/90/20/564029020.db2.gz QOHHTNZCHOMADJ-UHFFFAOYSA-N 0 0 345.761 4.073 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)c(C)c1 ZINC000046018266 564029251 /nfs/dbraw/zinc/02/92/51/564029251.db2.gz DEHDQDVHJYSHIQ-GOSISDBHSA-N 0 0 347.455 4.277 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c(OC)c1 ZINC000046018395 564029256 /nfs/dbraw/zinc/02/92/56/564029256.db2.gz VPGVEGBTKOBBJP-SFHVURJKSA-N 0 0 340.423 4.381 50 0 EIAARN Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)CC(=O)N2 ZINC000046016679 564029306 /nfs/dbraw/zinc/02/93/06/564029306.db2.gz FEWCZRXLGYJANK-GOSISDBHSA-N 0 0 347.418 4.080 50 0 EIAARN COC(=O)Nc1cccc(NC(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000047711094 564029677 /nfs/dbraw/zinc/02/96/77/564029677.db2.gz MNCJYCNXJHGVSH-UHFFFAOYSA-N 0 0 347.802 4.182 50 0 EIAARN Cc1nnc(NC(=O)N(C)C2CCC(c3ccccc3)CC2)s1 ZINC000047938945 564029806 /nfs/dbraw/zinc/02/98/06/564029806.db2.gz ABCPTZKXBUTIDE-UHFFFAOYSA-N 0 0 330.457 4.037 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccccc1-n1cccn1 ZINC000047973966 564029847 /nfs/dbraw/zinc/02/98/47/564029847.db2.gz ROFGHIUMMVMLJZ-UHFFFAOYSA-N 0 0 335.338 4.318 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000048012745 564029949 /nfs/dbraw/zinc/02/99/49/564029949.db2.gz XNPCIIPHPHAKII-MRXNPFEDSA-N 0 0 344.436 4.294 50 0 EIAARN CCOC(=O)c1ccoc1CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000048235140 564030149 /nfs/dbraw/zinc/03/01/49/564030149.db2.gz MZJPMCHFMXNRAX-UHFFFAOYSA-N 0 0 341.329 4.107 50 0 EIAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 ZINC000048249397 564030201 /nfs/dbraw/zinc/03/02/01/564030201.db2.gz MFSRWAFJAJFPNV-HZPDHXFCSA-N 0 0 335.856 4.453 50 0 EIAARN O=C(CCc1ccccc1O)N[C@@H](c1cccs1)C1CCCC1 ZINC000048290896 564030547 /nfs/dbraw/zinc/03/05/47/564030547.db2.gz OSTOFXWFDQKILW-LJQANCHMSA-N 0 0 329.465 4.434 50 0 EIAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000048276740 564030579 /nfs/dbraw/zinc/03/05/79/564030579.db2.gz ZUZTWVBPWJQLPU-ZDUSSCGKSA-N 0 0 343.477 4.485 50 0 EIAARN CC(C)c1ccc2c(c1)CCCN2C(=O)c1cccnc1N1CCCC1 ZINC000048353599 564031398 /nfs/dbraw/zinc/03/13/98/564031398.db2.gz MXYQVPPAYAQSKJ-UHFFFAOYSA-N 0 0 349.478 4.398 50 0 EIAARN O=C(CN1CCC[C@H]1c1ccsc1)Nc1cc(Cl)ccc1F ZINC000048355862 564031436 /nfs/dbraw/zinc/03/14/36/564031436.db2.gz RZTSVJXUPRGCGJ-HNNXBMFYSA-N 0 0 338.835 4.316 50 0 EIAARN O=C(CN1CCC[C@@H]1c1ccsc1)Nc1cc(Cl)ccc1F ZINC000048355861 564031440 /nfs/dbraw/zinc/03/14/40/564031440.db2.gz RZTSVJXUPRGCGJ-OAHLLOKOSA-N 0 0 338.835 4.316 50 0 EIAARN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000048365509 564031519 /nfs/dbraw/zinc/03/15/19/564031519.db2.gz OGFXTPSZWGZILV-LLVKDONJSA-N 0 0 347.365 4.061 50 0 EIAARN CC(C)[C@@H](NCc1csc(-c2ncccn2)n1)c1ccc(F)cc1 ZINC000048684761 564032055 /nfs/dbraw/zinc/03/20/55/564032055.db2.gz ISWMRFCVWHYCRM-MRXNPFEDSA-N 0 0 342.443 4.226 50 0 EIAARN Cc1nccn1-c1ccc(CNCc2cccc(Cl)c2Cl)cn1 ZINC000048782436 564032254 /nfs/dbraw/zinc/03/22/54/564032254.db2.gz KFICZTPDDFMVJC-UHFFFAOYSA-N 0 0 347.249 4.172 50 0 EIAARN CC(C)OCc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 ZINC000049133289 564032687 /nfs/dbraw/zinc/03/26/87/564032687.db2.gz RVEKXFHAPZIGMA-UHFFFAOYSA-N 0 0 349.377 4.143 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccccc2)cc1 ZINC000049545471 564032777 /nfs/dbraw/zinc/03/27/77/564032777.db2.gz JEYHFJQEWIHCCN-QGZVFWFLSA-N 0 0 333.391 4.064 50 0 EIAARN Cc1nc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)oc1C ZINC000049983360 564032924 /nfs/dbraw/zinc/03/29/24/564032924.db2.gz PSBYMPXBHVICHQ-UHFFFAOYSA-N 0 0 345.830 4.466 50 0 EIAARN Cc1cc(C)c(NC(=O)Cc2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000014899276 564032944 /nfs/dbraw/zinc/03/29/44/564032944.db2.gz HUPIXKQJWZCYJV-UHFFFAOYSA-N 0 0 339.826 4.324 50 0 EIAARN O=C1C[C@@H](c2nc(-c3ccc(F)cc3Cl)no2)c2ccccc2N1 ZINC000115179661 564033041 /nfs/dbraw/zinc/03/30/41/564033041.db2.gz LSYZDNNUKOGXRJ-GFCCVEGCSA-N 0 0 343.745 4.003 50 0 EIAARN CC(C)(C)C(=O)Nc1nnc(SCc2cc(F)ccc2F)s1 ZINC000006705597 564033386 /nfs/dbraw/zinc/03/33/86/564033386.db2.gz MGLCXYYGNMMATC-UHFFFAOYSA-N 0 0 343.424 4.093 50 0 EIAARN CCc1nnc(NC(=O)Cc2coc3ccc(C(C)C)cc23)s1 ZINC000006809912 564033538 /nfs/dbraw/zinc/03/35/38/564033538.db2.gz KRIDOYYBOUVWCW-UHFFFAOYSA-N 0 0 329.425 4.151 50 0 EIAARN Cc1cc(CNC(=O)Cc2csc(-c3cccs3)n2)ccc1F ZINC000024747190 564033582 /nfs/dbraw/zinc/03/35/82/564033582.db2.gz QQJUJLONNAMFMB-UHFFFAOYSA-N 0 0 346.452 4.178 50 0 EIAARN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccncc1Br ZINC000342142874 564033888 /nfs/dbraw/zinc/03/38/88/564033888.db2.gz UXNIXFLIKZYWMQ-UHFFFAOYSA-N 0 0 342.196 4.092 50 0 EIAARN COc1ccc(/C=C/C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000007779164 564034506 /nfs/dbraw/zinc/03/45/06/564034506.db2.gz PVQJGDPXLGSSPE-YRYLYKBFSA-N 0 0 325.433 4.062 50 0 EIAARN O=c1oc2cc(Cl)ccc2n1CN1CCC[C@@H]1c1cccs1 ZINC000008114277 564034801 /nfs/dbraw/zinc/03/48/01/564034801.db2.gz HIFRPWMOMAFFIA-CYBMUJFWSA-N 0 0 334.828 4.104 50 0 EIAARN COc1ccc(-c2csc(Nc3ccc(C)cn3)n2)cc1OC ZINC000000813380 564034927 /nfs/dbraw/zinc/03/49/27/564034927.db2.gz AFCAJMGVUCYKBX-UHFFFAOYSA-N 0 0 327.409 4.274 50 0 EIAARN CC(=O)Nc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 ZINC000000818079 564034990 /nfs/dbraw/zinc/03/49/90/564034990.db2.gz BHGTYOMWDAPTQC-NRFANRHFSA-N 0 0 346.434 4.406 50 0 EIAARN CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1 ZINC000390831934 564035111 /nfs/dbraw/zinc/03/51/11/564035111.db2.gz WBVYUPVDCFVYRK-QGZVFWFLSA-N 0 0 348.512 4.171 50 0 EIAARN Cc1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000008394364 564035539 /nfs/dbraw/zinc/03/55/39/564035539.db2.gz QYPZTOCLSMPWLX-HNNXBMFYSA-N 0 0 343.430 4.375 50 0 EIAARN CCc1nnc2sc(C(C)(c3ccccc3)c3ccccc3)nn12 ZINC000221532040 564036257 /nfs/dbraw/zinc/03/62/57/564036257.db2.gz FZZYOUDCQCUSNG-UHFFFAOYSA-N 0 0 334.448 4.103 50 0 EIAARN C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 ZINC000024807893 564036684 /nfs/dbraw/zinc/03/66/84/564036684.db2.gz ALAQHBOVNLNLBQ-RYUDHWBXSA-N 0 0 343.298 4.481 50 0 EIAARN CCc1c(C)sc(NC(=O)/C=C\c2ccc(Cl)cc2)c1C(N)=O ZINC000033313995 564036697 /nfs/dbraw/zinc/03/66/97/564036697.db2.gz CNYLBGGVFLLAPE-TWGQIWQCSA-N 0 0 348.855 4.023 50 0 EIAARN CCCC[C@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1cccnc1 ZINC000222466599 564036853 /nfs/dbraw/zinc/03/68/53/564036853.db2.gz RFHJQLWFRRYVRW-INIZCTEOSA-N 0 0 332.831 4.031 50 0 EIAARN COc1ccccc1/C=C\c1nn2c(nnc2-c2cccc(C)c2)s1 ZINC000033583299 564036872 /nfs/dbraw/zinc/03/68/72/564036872.db2.gz GQEKOWRIGMDSHC-KHPPLWFESA-N 0 0 348.431 4.340 50 0 EIAARN CCC[C@@](C)(CC)C(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000225416445 564046561 /nfs/dbraw/zinc/04/65/61/564046561.db2.gz WPHPJJICQRJWME-LJQANCHMSA-N 0 0 329.444 4.154 50 0 EIAARN COc1cc(-c2ccccc2)ccc1CNc1ccc(C(N)=O)c(C)c1 ZINC000225498367 564047287 /nfs/dbraw/zinc/04/72/87/564047287.db2.gz HPGMIFBLFDJIGT-UHFFFAOYSA-N 0 0 346.430 4.382 50 0 EIAARN Cc1ccc(CNc2ccc(C(N)=O)c(N3CCCCC3)c2)c(C)c1 ZINC000225513220 564047448 /nfs/dbraw/zinc/04/74/48/564047448.db2.gz OVJWRYAHNCHFTH-UHFFFAOYSA-N 0 0 337.467 4.005 50 0 EIAARN CC(C)Sc1ccc(Cl)cc1NC(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000225611142 564048353 /nfs/dbraw/zinc/04/83/53/564048353.db2.gz OPNICSCHHDIKLB-BXUZGUMPSA-N 0 0 342.892 4.075 50 0 EIAARN Fc1ccc(Cn2cc(C(F)(F)F)nc2-c2cccnc2)cc1F ZINC000225653511 564049038 /nfs/dbraw/zinc/04/90/38/564049038.db2.gz WDGXLDHIAWSPME-UHFFFAOYSA-N 0 0 339.267 4.290 50 0 EIAARN O=c1c2sc3c(c2ncn1Cc1ccc(Cl)cc1)CCCC3 ZINC000012389780 564049948 /nfs/dbraw/zinc/04/99/48/564049948.db2.gz FRPARUPXLNHWLW-UHFFFAOYSA-N 0 0 330.840 4.039 50 0 EIAARN COC(=O)c1cc(-c2ccccc2)nc2c1cnn2-c1ccc(F)cc1 ZINC000012397217 564050235 /nfs/dbraw/zinc/05/02/35/564050235.db2.gz CUPTUWOETSCYAO-UHFFFAOYSA-N 0 0 347.349 4.013 50 0 EIAARN Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1COc2ccccc21 ZINC000182132616 564050949 /nfs/dbraw/zinc/05/09/49/564050949.db2.gz DPCWLJVWXJBGTI-OAHLLOKOSA-N 0 0 336.416 4.233 50 0 EIAARN Cc1ccc(N2C[C@H](c3nc(-c4ccccc4C)no3)CC2=O)c(C)c1 ZINC000012416215 564051134 /nfs/dbraw/zinc/05/11/34/564051134.db2.gz OHSILAXWCHSTGT-MRXNPFEDSA-N 0 0 347.418 4.182 50 0 EIAARN CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@@H]3CCCC[C@@H]32)n1 ZINC000239654177 564051635 /nfs/dbraw/zinc/05/16/35/564051635.db2.gz BMUYXTMMALAHED-ZFWWWQNUSA-N 0 0 335.879 4.438 50 0 EIAARN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2Cc2nnc(C)o2)c1 ZINC000240886192 564051829 /nfs/dbraw/zinc/05/18/29/564051829.db2.gz INQIVRNLMDHJOU-PZJWPPBQSA-N 0 0 349.434 4.117 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000040103641 564057241 /nfs/dbraw/zinc/05/72/41/564057241.db2.gz GACVPMNHIRNLIV-PHIMTYICSA-N 0 0 325.250 4.267 50 0 EIAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccco1 ZINC000018702095 564052560 /nfs/dbraw/zinc/05/25/60/564052560.db2.gz FFCLMYFJPVCJPX-UHFFFAOYSA-N 0 0 326.318 4.397 50 0 EIAARN CC(C)n1nc(CNCc2ccccc2Cl)c(-c2ccccc2)n1 ZINC000247962570 564052841 /nfs/dbraw/zinc/05/28/41/564052841.db2.gz AHMWPROBWDMJDQ-UHFFFAOYSA-N 0 0 340.858 4.469 50 0 EIAARN c1ccc2c(c1)nc(-c1ccncc1)nc2Oc1ccc2c(c1)OCO2 ZINC000025164942 564053743 /nfs/dbraw/zinc/05/37/43/564053743.db2.gz OEDPIJPWKVPUKM-UHFFFAOYSA-N 0 0 343.342 4.213 50 0 EIAARN COc1cc2c(cc1O)C=C[C@]1(Oc3cccc4c3c1ccc4OC)O2 ZINC000000971371 564053751 /nfs/dbraw/zinc/05/37/51/564053751.db2.gz PASRWHIFQPBCIO-NRFANRHFSA-N 0 0 348.354 4.214 50 0 EIAARN Cc1c(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)[nH]c2c1C(=O)CCC2 ZINC000025517918 564054482 /nfs/dbraw/zinc/05/44/82/564054482.db2.gz SOWPHKFVWKBMAA-FQEVSTJZSA-N 0 0 336.435 4.032 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@H]3C[C@H](O)[C@H]2C1 ZINC000257345814 564055851 /nfs/dbraw/zinc/05/58/51/564055851.db2.gz JPOWGZUAPKSQIG-ZRDSLKBOSA-N 0 0 334.500 4.322 50 0 EIAARN O=C(OCc1ncc(-c2ccccc2)o1)c1ccc2ccccc2n1 ZINC000005848166 564056614 /nfs/dbraw/zinc/05/66/14/564056614.db2.gz SWGTUPURMAHOKJ-UHFFFAOYSA-N 0 0 330.343 4.247 50 0 EIAARN CCOc1ccc(N2C(=O)S/C(=C/c3cccs3)C2=O)cc1 ZINC000005900234 564056879 /nfs/dbraw/zinc/05/68/79/564056879.db2.gz FBOGVHCVTFBNJI-GXDHUFHOSA-N 0 0 331.418 4.388 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)c1 ZINC000005926944 564057024 /nfs/dbraw/zinc/05/70/24/564057024.db2.gz TXMUDFRMWABBJK-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN CCc1ccc2nc(NC(=O)CCc3c(C)noc3C)sc2c1 ZINC000005937963 564057140 /nfs/dbraw/zinc/05/71/40/564057140.db2.gz UOFCSHHBBLYCCY-UHFFFAOYSA-N 0 0 329.425 4.035 50 0 EIAARN CSc1nc2ccc(NC(=O)CCOc3ccccc3)cc2s1 ZINC000005937346 564057142 /nfs/dbraw/zinc/05/71/42/564057142.db2.gz QSSICACATQJKCT-UHFFFAOYSA-N 0 0 344.461 4.426 50 0 EIAARN O=c1cc(COc2ccc(Cl)c3ccccc23)nc2sccn21 ZINC000005937787 564057152 /nfs/dbraw/zinc/05/71/52/564057152.db2.gz LLCDTVNOEYAQTJ-UHFFFAOYSA-N 0 0 342.807 4.142 50 0 EIAARN O=C(c1ccc(Br)o1)N1CCC[C@H]1c1ccsc1 ZINC000040107712 564057292 /nfs/dbraw/zinc/05/72/92/564057292.db2.gz PZUQQOHCPJEZNR-JTQLQIEISA-N 0 0 326.215 4.081 50 0 EIAARN O=C(OCc1nc(-c2ccccc2)no1)c1ccccc1C(F)(F)F ZINC000005978869 564057426 /nfs/dbraw/zinc/05/74/26/564057426.db2.gz AQHNNNHUMAFRON-UHFFFAOYSA-N 0 0 348.280 4.112 50 0 EIAARN Cc1ccc(NCc2nc(C(C)(C)C)no2)c(OCC(F)(F)F)c1 ZINC000063470963 564057553 /nfs/dbraw/zinc/05/75/53/564057553.db2.gz DPQNHRCYHQQUBS-UHFFFAOYSA-N 0 0 343.349 4.229 50 0 EIAARN O=C(Nc1ccccc1N1CCc2sccc2C1)c1cscn1 ZINC000063475634 564057618 /nfs/dbraw/zinc/05/76/18/564057618.db2.gz YOQCINZRAKCPOF-UHFFFAOYSA-N 0 0 341.461 4.020 50 0 EIAARN COc1ccc(CN[C@@H](C)c2ccccc2Br)cc1O ZINC000034992202 564057631 /nfs/dbraw/zinc/05/76/31/564057631.db2.gz BHYTXCUGIYWDOX-NSHDSACASA-N 0 0 336.229 4.014 50 0 EIAARN COc1ccc(CN[C@H](C)c2ccccc2Br)cc1O ZINC000034992203 564057639 /nfs/dbraw/zinc/05/76/39/564057639.db2.gz BHYTXCUGIYWDOX-LLVKDONJSA-N 0 0 336.229 4.014 50 0 EIAARN O=C(Nc1c(-c2cccs2)nc2ccccn21)c1cccc(F)c1 ZINC000003906466 564057905 /nfs/dbraw/zinc/05/79/05/564057905.db2.gz DZAHJMABSSUKQS-UHFFFAOYSA-N 0 0 337.379 4.454 50 0 EIAARN COc1ccc(/C=C2\C(=O)Nc3ccccc32)c2c(OC)cccc12 ZINC000012468843 564057971 /nfs/dbraw/zinc/05/79/71/564057971.db2.gz ZEPTWTMWCZLVOW-VBKFSLOCSA-N 0 0 331.371 4.350 50 0 EIAARN C[C@@H](OC(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000001922424 564058096 /nfs/dbraw/zinc/05/80/96/564058096.db2.gz FLLIGTSAZGRQBT-MRVPVSSYSA-N 0 0 344.219 4.239 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccncc1 ZINC000012539121 564058467 /nfs/dbraw/zinc/05/84/67/564058467.db2.gz MRXKRNKXWSHTOQ-GOSISDBHSA-N 0 0 347.418 4.033 50 0 EIAARN O=C(Nc1ccncc1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000012539066 564058475 /nfs/dbraw/zinc/05/84/75/564058475.db2.gz CPVBEDHSIFVLFX-HXUWFJFHSA-N 0 0 342.402 4.028 50 0 EIAARN CCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1 ZINC000012539536 564058557 /nfs/dbraw/zinc/05/85/57/564058557.db2.gz SVKAOORHTBPJNA-CQSZACIVSA-N 0 0 325.412 4.311 50 0 EIAARN Cc1ccccc1C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000012544344 564058832 /nfs/dbraw/zinc/05/88/32/564058832.db2.gz LKQMNGJUSABYFJ-GFCCVEGCSA-N 0 0 329.350 4.231 50 0 EIAARN O=C(CCSc1ccc(Cl)cc1)Nc1nc2ccccc2[nH]1 ZINC000012546281 564058892 /nfs/dbraw/zinc/05/88/92/564058892.db2.gz FXHZLKQJIFVGCN-UHFFFAOYSA-N 0 0 331.828 4.337 50 0 EIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2n[nH]nc2c1 ZINC000012547437 564058990 /nfs/dbraw/zinc/05/89/90/564058990.db2.gz WJLYJYZSVCWCNU-UHFFFAOYSA-N 0 0 330.347 4.003 50 0 EIAARN Cc1nc2cc(C(=O)NC3CCCCC3)ccc2n1-c1ccccc1 ZINC000012550360 564059092 /nfs/dbraw/zinc/05/90/92/564059092.db2.gz GTWWOQOSZPCGHL-UHFFFAOYSA-N 0 0 333.435 4.396 50 0 EIAARN COc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000003346487 564059379 /nfs/dbraw/zinc/05/93/79/564059379.db2.gz OIESTWGCGWOENK-UHFFFAOYSA-N 0 0 330.434 4.061 50 0 EIAARN CC(=O)c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC000012557774 564059388 /nfs/dbraw/zinc/05/93/88/564059388.db2.gz ZSERPPXSKXZRLH-UHFFFAOYSA-N 0 0 346.833 4.004 50 0 EIAARN C[C@H](Nc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000012565046 564059697 /nfs/dbraw/zinc/05/96/97/564059697.db2.gz OJZCIJPOSCEBPN-LBPRGKRZSA-N 0 0 331.847 4.472 50 0 EIAARN COc1ccccc1-c1noc(CN2c3ccccc3CC[C@H]2C)n1 ZINC000012565454 564059703 /nfs/dbraw/zinc/05/97/03/564059703.db2.gz LZBQEFFRVOZVOJ-CQSZACIVSA-N 0 0 335.407 4.087 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1Cl ZINC000012565334 564059709 /nfs/dbraw/zinc/05/97/09/564059709.db2.gz GFCMPDAEIFSTRB-LBPRGKRZSA-N 0 0 344.842 4.276 50 0 EIAARN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)CCC2 ZINC000003469396 564059758 /nfs/dbraw/zinc/05/97/58/564059758.db2.gz IJIFWDHRMMMQCH-UHFFFAOYSA-N 0 0 336.218 4.500 50 0 EIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1F ZINC000003602778 564060026 /nfs/dbraw/zinc/06/00/26/564060026.db2.gz KBQVSALZBNODHQ-UHFFFAOYSA-N 0 0 332.425 4.475 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)N3CC[C@H](c4ccccc4)C3)c2)no1 ZINC000120883335 564060532 /nfs/dbraw/zinc/06/05/32/564060532.db2.gz CDRDOLIXTRNDEX-KRWDZBQOSA-N 0 0 348.406 4.066 50 0 EIAARN Cc1ccccc1NC(=O)CCn1c(=S)[nH]nc1-c1cccs1 ZINC000012616493 564060657 /nfs/dbraw/zinc/06/06/57/564060657.db2.gz XGGCGYKBPBKFGU-UHFFFAOYSA-N 0 0 344.465 4.006 50 0 EIAARN CN1CCO[C@@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000299804153 564060869 /nfs/dbraw/zinc/06/08/69/564060869.db2.gz CZGMCXMFKOCFDA-FMZMDBCBSA-N 0 0 347.543 4.048 50 0 EIAARN FC(F)(F)c1cc(Cl)c2nc(CSc3ncccn3)cn2c1 ZINC000012623953 564061035 /nfs/dbraw/zinc/06/10/35/564061035.db2.gz FCLDOGSNYMRELU-UHFFFAOYSA-N 0 0 344.749 4.089 50 0 EIAARN Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@H]2CC2(C)C)s1 ZINC000534582797 564061111 /nfs/dbraw/zinc/06/11/11/564061111.db2.gz MXLSAMQYWIMLHR-MRXNPFEDSA-N 0 0 343.496 4.209 50 0 EIAARN CCC[C@@H]1CCCN1C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1 ZINC000534584160 564061126 /nfs/dbraw/zinc/06/11/26/564061126.db2.gz MZMOHYDAMGRIFS-MRXNPFEDSA-N 0 0 343.858 4.389 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ncccc1Cl ZINC000004155765 564063420 /nfs/dbraw/zinc/06/34/20/564063420.db2.gz NTSQQZGYDNKMPO-UHFFFAOYSA-N 0 0 331.586 4.059 50 0 EIAARN CC[C@@H](NC(=O)N(Cc1ccsc1)CC(C)C)c1cccnc1 ZINC000534653825 564061457 /nfs/dbraw/zinc/06/14/57/564061457.db2.gz SGIQBPGVXVQFDE-QGZVFWFLSA-N 0 0 331.485 4.462 50 0 EIAARN Cc1cc(C)c2nccc(-c3ccc(C(=O)N[C@H]4CCOC4)cc3)c2c1 ZINC000534665534 564061555 /nfs/dbraw/zinc/06/15/55/564061555.db2.gz FOCBSNRBWLGZIO-SFHVURJKSA-N 0 0 346.430 4.037 50 0 EIAARN CC[C@@H](NC(=O)N(Cc1ccsc1)C1CCCC1)c1ccnn1C ZINC000534676284 564061618 /nfs/dbraw/zinc/06/16/18/564061618.db2.gz OBJWISWSVKCINI-MRXNPFEDSA-N 0 0 346.500 4.087 50 0 EIAARN CC[C@H]1C=CCN1C(=O)c1ccc(-c2ccsc2C(C)=O)cc1 ZINC000534663323 564061627 /nfs/dbraw/zinc/06/16/27/564061627.db2.gz HHRMJFKXHAZXGG-INIZCTEOSA-N 0 0 325.433 4.408 50 0 EIAARN CSc1cccc(CN(C)C(=O)N[C@H](c2ccccn2)C(C)C)c1 ZINC000534676868 564061630 /nfs/dbraw/zinc/06/16/30/564061630.db2.gz ROZAQYPUZRSMAV-SFHVURJKSA-N 0 0 343.496 4.342 50 0 EIAARN Cn1cc(SCC(=O)N2CCCc3ccccc32)c2ccccc21 ZINC000004059768 564061721 /nfs/dbraw/zinc/06/17/21/564061721.db2.gz HPNVZBCAPXUJQS-UHFFFAOYSA-N 0 0 336.460 4.250 50 0 EIAARN O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000004072171 564061806 /nfs/dbraw/zinc/06/18/06/564061806.db2.gz QVHPFEFFYVOUGL-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN COc1ccc2c(ccn2CCC(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000012664665 564062532 /nfs/dbraw/zinc/06/25/32/564062532.db2.gz OBMOOKFMQRGHAJ-UHFFFAOYSA-N 0 0 333.391 4.160 50 0 biogenic EIAARN CCC(CC)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000025678884 564062724 /nfs/dbraw/zinc/06/27/24/564062724.db2.gz VNDPVZBDANVUCM-UHFFFAOYSA-N 0 0 340.427 4.191 50 0 EIAARN COc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)cc1C ZINC000001258882 564062750 /nfs/dbraw/zinc/06/27/50/564062750.db2.gz BVJJGMPXQZMNDF-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN O=C(O[C@@H]1c2ccccc2C(=O)N1Cc1cccs1)c1ccccc1 ZINC000004108827 564062818 /nfs/dbraw/zinc/06/28/18/564062818.db2.gz KLIQUGFAHATDBM-LJQANCHMSA-N 0 0 349.411 4.260 50 0 EIAARN CCn1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc21 ZINC000001274722 564062862 /nfs/dbraw/zinc/06/28/62/564062862.db2.gz JNZNBZZBCNGCDN-UHFFFAOYSA-N 0 0 336.420 4.227 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000052897376 564063026 /nfs/dbraw/zinc/06/30/26/564063026.db2.gz ZKQYXPALAOFAQZ-GOSISDBHSA-N 0 0 329.827 4.255 50 0 EIAARN CC(C)CNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000001324342 564063190 /nfs/dbraw/zinc/06/31/90/564063190.db2.gz YSBGWBHCDRXVQH-UHFFFAOYSA-N 0 0 330.428 4.276 50 0 EIAARN CN(c1ccccc1)c1ccccc1NC(=O)c1ccc2nccn2c1 ZINC000083869657 564064109 /nfs/dbraw/zinc/06/41/09/564064109.db2.gz KZCDRSNCNLQAFC-UHFFFAOYSA-N 0 0 342.402 4.355 50 0 EIAARN CC(C)(C)c1ccc(Oc2cc(C(F)(F)F)cnc2C(N)=O)cc1 ZINC000001388836 564064337 /nfs/dbraw/zinc/06/43/37/564064337.db2.gz ZJJYHSNKJWJOTB-UHFFFAOYSA-N 0 0 338.329 4.289 50 0 EIAARN Cc1c([C@H](C)OC(=O)Nc2cccc(Cl)c2)sc2ncnn12 ZINC000001404964 564065147 /nfs/dbraw/zinc/06/51/47/564065147.db2.gz WZEXJASVGJIFHC-VIFPVBQESA-N 0 0 336.804 4.062 50 0 EIAARN COC(=O)c1ccsc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000059326350 564065629 /nfs/dbraw/zinc/06/56/29/564065629.db2.gz UBGJLGSLARCBQO-UHFFFAOYSA-N 0 0 343.404 4.079 50 0 EIAARN Cc1c([C@H](C)Nc2cnc3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000084044899 564065856 /nfs/dbraw/zinc/06/58/56/564065856.db2.gz GOVANQYGGSBTGI-ZDUSSCGKSA-N 0 0 347.397 4.436 50 0 EIAARN Cc1nc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2nc1C ZINC000084057455 564065896 /nfs/dbraw/zinc/06/58/96/564065896.db2.gz FKABORBAQLZCHL-UHFFFAOYSA-N 0 0 341.414 4.330 50 0 EIAARN Cc1nc2cc(F)cc(C(=O)NC3CCCCCCC3)c2nc1C ZINC000084057190 564065897 /nfs/dbraw/zinc/06/58/97/564065897.db2.gz RVQXZEUKWZFZMA-UHFFFAOYSA-N 0 0 329.419 4.228 50 0 EIAARN Cc1cc(CN2CCC[C@@H]2c2noc(C3CC3)n2)c2ccccc2n1 ZINC000084083428 564066250 /nfs/dbraw/zinc/06/62/50/564066250.db2.gz XFMXMXBKSOXTBY-GOSISDBHSA-N 0 0 334.423 4.141 50 0 EIAARN Fc1ccc(-n2ncc3c2ncnc3N[C@@H]2CCc3ccccc32)cc1 ZINC000012751319 564067016 /nfs/dbraw/zinc/06/70/16/564067016.db2.gz KEOINVNMKATGHV-GOSISDBHSA-N 0 0 345.381 4.054 50 0 EIAARN COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3)no2)cc1 ZINC000012755483 564067223 /nfs/dbraw/zinc/06/72/23/564067223.db2.gz QUZYEVKCVHSBIM-GOSISDBHSA-N 0 0 335.407 4.082 50 0 EIAARN Cc1nccc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)n1 ZINC000084290708 564067756 /nfs/dbraw/zinc/06/77/56/564067756.db2.gz WLGNWQCKOKMTLW-FQEVSTJZSA-N 0 0 343.386 4.051 50 0 EIAARN O=C(COc1cc(Cl)ccc1Cl)N[C@@H]1CCc2ccccc21 ZINC000012764064 564067887 /nfs/dbraw/zinc/06/78/87/564067887.db2.gz QIPNUDQQHOXSKH-OAHLLOKOSA-N 0 0 336.218 4.176 50 0 EIAARN CC(C)CCCNC(=O)Nc1ccc(Br)nc1Cl ZINC000084510363 564068325 /nfs/dbraw/zinc/06/83/25/564068325.db2.gz NTJZLSKLQLIGDL-UHFFFAOYSA-N 0 0 334.645 4.055 50 0 EIAARN O=C(Nc1ccccc1N1CCCCCC1)[C@H]1C[C@@H]1c1cccnc1 ZINC000084506023 564068360 /nfs/dbraw/zinc/06/83/60/564068360.db2.gz ALABYRPXPYNAEK-MSOLQXFVSA-N 0 0 335.451 4.204 50 0 EIAARN COc1cc(OC)cc(C(=O)O[C@@H](CC(C)C)c2ccccn2)c1 ZINC000084509945 564068376 /nfs/dbraw/zinc/06/83/76/564068376.db2.gz YFTLTVQGTFLIAT-SFHVURJKSA-N 0 0 329.396 4.043 50 0 EIAARN O=C(Oc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)c(Cl)c1 ZINC000012769329 564068524 /nfs/dbraw/zinc/06/85/24/564068524.db2.gz ZEIVRHTXHWUKGU-UHFFFAOYSA-N 0 0 336.174 4.097 50 0 EIAARN NC(=O)Nc1cccc(C(=O)Oc2ccccc2-c2ccccc2)c1 ZINC000084562848 564068721 /nfs/dbraw/zinc/06/87/21/564068721.db2.gz JFUOBLJGYZXDSZ-UHFFFAOYSA-N 0 0 332.359 4.063 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)N[C@H]1CCc2ccccc21 ZINC000084581886 564068804 /nfs/dbraw/zinc/06/88/04/564068804.db2.gz DZSFVZVQMUEXNM-SFHVURJKSA-N 0 0 346.390 4.078 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)NC1(c2nccs2)CCCC1 ZINC000084590598 564068848 /nfs/dbraw/zinc/06/88/48/564068848.db2.gz NRQBISCBGZFSIA-UHFFFAOYSA-N 0 0 339.464 4.143 50 0 EIAARN O=C(Nc1ccc2c(c1)oc1ccccc12)N(CCCCO)C1CC1 ZINC000084594603 564068853 /nfs/dbraw/zinc/06/88/53/564068853.db2.gz GUIQESIIBSDKJM-UHFFFAOYSA-N 0 0 338.407 4.355 50 0 EIAARN Cc1cc(Cl)cc(C)c1OCC(=O)N[C@H]1CCc2ccccc21 ZINC000012770641 564068873 /nfs/dbraw/zinc/06/88/73/564068873.db2.gz SQQCDAZTHIABDD-KRWDZBQOSA-N 0 0 329.827 4.139 50 0 EIAARN CC(=O)N(Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1)C(C)C ZINC000084597274 564068942 /nfs/dbraw/zinc/06/89/42/564068942.db2.gz GEODWIMEEBZWSN-UHFFFAOYSA-N 0 0 349.434 4.177 50 0 EIAARN O=S(=O)(NCc1cc2ccccc2o1)c1ccc2ccccc2c1 ZINC000084606036 564069019 /nfs/dbraw/zinc/06/90/19/564069019.db2.gz YNQXNEHLUQDTAI-UHFFFAOYSA-N 0 0 337.400 4.065 50 0 EIAARN C[C@@H](CC(=O)OCc1csc(Br)c1)c1ccncc1 ZINC000084636946 564069200 /nfs/dbraw/zinc/06/92/00/564069200.db2.gz OGRLDYLIFQEEJU-JTQLQIEISA-N 0 0 340.242 4.143 50 0 EIAARN CC(C)c1csc([C@@H]2CCCN(Cc3nnc(C(C)C)o3)C2)n1 ZINC000084630778 564069227 /nfs/dbraw/zinc/06/92/27/564069227.db2.gz SXEQKYKCVBHLOI-CYBMUJFWSA-N 0 0 334.489 4.153 50 0 EIAARN C[C@H](Sc1nnc(-c2cccnc2)n1C)c1ncc(C(C)(C)C)o1 ZINC000084667929 564069540 /nfs/dbraw/zinc/06/95/40/564069540.db2.gz KEZJIWFLOCIOJI-NSHDSACASA-N 0 0 343.456 4.016 50 0 EIAARN C[C@H]1c2[nH]c3ccccc3c2CCN1C(=S)NCc1cccs1 ZINC000084718147 564069795 /nfs/dbraw/zinc/06/97/95/564069795.db2.gz ZTDVPVHSOJJAGK-LBPRGKRZSA-N 0 0 341.505 4.223 50 0 EIAARN COc1ccccc1CC(=O)Nc1ccc(Cl)c2cccnc12 ZINC000012781985 564070033 /nfs/dbraw/zinc/07/00/33/564070033.db2.gz UCUJBQOGKCUFTQ-UHFFFAOYSA-N 0 0 326.783 4.078 50 0 EIAARN CC(C)C(=O)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1 ZINC000015669733 564070455 /nfs/dbraw/zinc/07/04/55/564070455.db2.gz WROBOHFZEHREIX-UHFFFAOYSA-N 0 0 344.802 4.100 50 0 EIAARN COc1ccc(F)cc1C[S@](=O)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000085224247 564072245 /nfs/dbraw/zinc/07/22/45/564072245.db2.gz XGYKIVKLRMDUPD-QVQLBTGDSA-N 0 0 339.432 4.130 50 0 EIAARN Cc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 ZINC000004305022 564072298 /nfs/dbraw/zinc/07/22/98/564072298.db2.gz DYQJVZIMUYVBNI-FQEVSTJZSA-N 0 0 346.430 4.122 50 0 EIAARN Cc1ccccc1CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000004306965 564072359 /nfs/dbraw/zinc/07/23/59/564072359.db2.gz NTLFFGQOXQQZTK-JOCHJYFZSA-N 0 0 344.414 4.115 50 0 EIAARN CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000006043308 564072448 /nfs/dbraw/zinc/07/24/48/564072448.db2.gz MUXPFYUJJXUKJE-UHFFFAOYSA-N 0 0 334.419 4.440 50 0 EIAARN CC(=O)Nc1nc2c(cc(NC(=O)Nc3ccccc3)cc2C)s1 ZINC000015729952 564072583 /nfs/dbraw/zinc/07/25/83/564072583.db2.gz IJNPBVLVDNGAGM-UHFFFAOYSA-N 0 0 340.408 4.207 50 0 EIAARN CCc1ccc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2C)cc1 ZINC000015731569 564072649 /nfs/dbraw/zinc/07/26/49/564072649.db2.gz FNQCBGBGMQHZOU-UHFFFAOYSA-N 0 0 345.406 4.164 50 0 EIAARN CCOc1ccc(NC(=O)c2noc3c2CCc2sccc2-3)cc1 ZINC000015733181 564072717 /nfs/dbraw/zinc/07/27/17/564072717.db2.gz NFMDKUSLBHCKDA-UHFFFAOYSA-N 0 0 340.404 4.153 50 0 EIAARN CC(C)Cn1c(SC[C@H](O)c2ccccc2)nnc1-c1ccco1 ZINC000012810404 564072813 /nfs/dbraw/zinc/07/28/13/564072813.db2.gz WSBLXXMWSZIVAK-HNNXBMFYSA-N 0 0 343.452 4.020 50 0 EIAARN CC(C)NC(=O)CC1(C(=O)Nc2ccc(C(C)C)cc2)CCCC1 ZINC000012811369 564072816 /nfs/dbraw/zinc/07/28/16/564072816.db2.gz PRVWVTKRGHEGDQ-UHFFFAOYSA-N 0 0 330.472 4.224 50 0 EIAARN FC(F)Oc1ccc(-c2cc(C(F)(F)F)n3nccc3n2)cc1 ZINC000002786533 564072910 /nfs/dbraw/zinc/07/29/10/564072910.db2.gz ZYTKXTACXRBXQK-UHFFFAOYSA-N 0 0 329.228 4.017 50 0 EIAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@@H]1CC=CCC1 ZINC000085470995 564073390 /nfs/dbraw/zinc/07/33/90/564073390.db2.gz VQFCRGHUXVCLIC-CYBMUJFWSA-N 0 0 330.428 4.230 50 0 EIAARN COc1ccc(SCC2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000085472344 564073421 /nfs/dbraw/zinc/07/34/21/564073421.db2.gz KRJQVCGUQRRAPU-UHFFFAOYSA-N 0 0 347.505 4.401 50 0 EIAARN O=C(c1ccccc1Cl)N1CCC(CSc2ccccn2)CC1 ZINC000085557489 564073927 /nfs/dbraw/zinc/07/39/27/564073927.db2.gz QKQSQNTZKGSOSW-UHFFFAOYSA-N 0 0 346.883 4.380 50 0 EIAARN COc1ccccc1Nc1nnc(-n2nc(C)cc2C)c2ccccc21 ZINC000015777646 564074051 /nfs/dbraw/zinc/07/40/51/564074051.db2.gz PJMAMAXUHJSKEH-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN CNC(=O)Nc1ccc(NC(=O)c2ccccc2SC(C)C)cc1 ZINC000053234818 564074059 /nfs/dbraw/zinc/07/40/59/564074059.db2.gz KNMCBBIEHQFTKC-UHFFFAOYSA-N 0 0 343.452 4.191 50 0 EIAARN COc1ccc(-c2ocnc2C(=O)Nc2ccc(F)cc2C)cc1 ZINC000015782174 564074147 /nfs/dbraw/zinc/07/41/47/564074147.db2.gz ABYWLXLEZLNQEF-UHFFFAOYSA-N 0 0 326.327 4.050 50 0 EIAARN Cc1ccc2c(c1)-c1c(c(C(=O)Nc3ccccc3)nn1C)CS2 ZINC000015782824 564074175 /nfs/dbraw/zinc/07/41/75/564074175.db2.gz CRRLXIUMEKNOGB-UHFFFAOYSA-N 0 0 335.432 4.254 50 0 EIAARN COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(SC)cc1 ZINC000012824334 564074950 /nfs/dbraw/zinc/07/49/50/564074950.db2.gz XXWRYQXGNWMPDV-UHFFFAOYSA-N 0 0 343.448 4.327 50 0 EIAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1Cl ZINC000000310248 564074964 /nfs/dbraw/zinc/07/49/64/564074964.db2.gz OKKKNSFJLFEUTG-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)cc1C ZINC000015801822 564075207 /nfs/dbraw/zinc/07/52/07/564075207.db2.gz WKGXZEWVUNZIRV-LBPRGKRZSA-N 0 0 349.789 4.280 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)CCC1CCCCC1)CCC2 ZINC000006126353 564075211 /nfs/dbraw/zinc/07/52/11/564075211.db2.gz YQRHDIADGKGMJS-UHFFFAOYSA-N 0 0 335.469 4.322 50 0 EIAARN CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2nnc(C3CC3)o2)c1 ZINC000086209079 564075347 /nfs/dbraw/zinc/07/53/47/564075347.db2.gz DNELAVLMBKRYCP-UHFFFAOYSA-N 0 0 348.378 4.045 50 0 EIAARN c1coc(CNc2nnc(SCCCc3ccccc3)s2)c1 ZINC000012852299 564075402 /nfs/dbraw/zinc/07/54/02/564075402.db2.gz LBGMJLGZVGPHEI-UHFFFAOYSA-N 0 0 331.466 4.468 50 0 EIAARN O[C@H]1CCCC[C@H]1Oc1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000086278384 564075481 /nfs/dbraw/zinc/07/54/81/564075481.db2.gz JVCJQLDNNSNLMV-ZWKOTPCHSA-N 0 0 344.480 4.315 50 0 EIAARN CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3)n2)cc1 ZINC000012857935 564075572 /nfs/dbraw/zinc/07/55/72/564075572.db2.gz LEMLDEDNXKHBEG-UHFFFAOYSA-N 0 0 349.434 4.109 50 0 EIAARN Cc1cnc(CCNC(=O)N([C@@H](C)c2ccccc2F)C2CC2)s1 ZINC000086424375 564075613 /nfs/dbraw/zinc/07/56/13/564075613.db2.gz BJVYNHNXFHRYSY-ZDUSSCGKSA-N 0 0 347.459 4.068 50 0 EIAARN CN(C(=O)COc1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000012865952 564075872 /nfs/dbraw/zinc/07/58/72/564075872.db2.gz FUZVQTUWZCXREW-MRXNPFEDSA-N 0 0 333.790 4.004 50 0 EIAARN COC(=O)c1ccccc1OC(=O)Nc1cccc(Cl)c1Cl ZINC000000400362 564075999 /nfs/dbraw/zinc/07/59/99/564075999.db2.gz YDPILRXZNZTJID-UHFFFAOYSA-N 0 0 340.162 4.391 50 0 EIAARN COc1ccc(C)cc1NC(=O)OCCOc1ccccc1Cl ZINC000002141401 564076039 /nfs/dbraw/zinc/07/60/39/564076039.db2.gz DCUUVNCCITXPON-UHFFFAOYSA-N 0 0 335.787 4.285 50 0 EIAARN O=C(Cc1scnc1-c1cccs1)NCc1ccccc1Cl ZINC000015840255 564076652 /nfs/dbraw/zinc/07/66/52/564076652.db2.gz WCHSEBIKVMQVPM-UHFFFAOYSA-N 0 0 348.880 4.384 50 0 EIAARN COc1ccccc1NC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000015840178 564076672 /nfs/dbraw/zinc/07/66/72/564076672.db2.gz FRZKIGJFTXGINP-UHFFFAOYSA-N 0 0 344.461 4.370 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)COc1ccc(Cl)cc1 ZINC000006153919 564076821 /nfs/dbraw/zinc/07/68/21/564076821.db2.gz FWCCZWRYJVNCNU-UHFFFAOYSA-N 0 0 343.814 4.117 50 0 EIAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1Cl ZINC000012889884 564077558 /nfs/dbraw/zinc/07/75/58/564077558.db2.gz CZQJELCAFCNVID-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN O=C(c1ccc(Oc2cc(Cl)cc(Cl)c2)nc1)N1CCCC1 ZINC000012892430 564077594 /nfs/dbraw/zinc/07/75/94/564077594.db2.gz YNEOHOKNVQWBIP-UHFFFAOYSA-N 0 0 337.206 4.417 50 0 EIAARN C[C@H](O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000012894810 564077623 /nfs/dbraw/zinc/07/76/23/564077623.db2.gz VWNZBPADPDNNDJ-JTQLQIEISA-N 0 0 330.434 4.177 50 0 EIAARN O=C(COc1cc(Cl)ccc1Cl)N1CCc2sccc2C1 ZINC000012898086 564077632 /nfs/dbraw/zinc/07/76/32/564077632.db2.gz OFNQSXUWXMXVOX-UHFFFAOYSA-N 0 0 342.247 4.019 50 0 EIAARN Cc1c(C(=O)N[C@@H](c2ccccc2)C2CC2)cnn1-c1ccccc1 ZINC000012899208 564077664 /nfs/dbraw/zinc/07/76/64/564077664.db2.gz QVCOPBJTUNQIQD-FQEVSTJZSA-N 0 0 331.419 4.062 50 0 EIAARN c1csc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)c1 ZINC000015906770 564077679 /nfs/dbraw/zinc/07/76/79/564077679.db2.gz RAPXSDWLIGKFFK-QFBILLFUSA-N 0 0 333.416 4.385 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2ccccc2F)o1 ZINC000012902563 564077715 /nfs/dbraw/zinc/07/77/15/564077715.db2.gz IMRUEBQYOCHUKZ-INIZCTEOSA-N 0 0 337.350 4.339 50 0 EIAARN CC(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000012927551 564078589 /nfs/dbraw/zinc/07/85/89/564078589.db2.gz KMTRZXZLEOWJKS-UHFFFAOYSA-N 0 0 325.408 4.153 50 0 EIAARN CCOc1ccc2[nH]c(S[C@@H](C)c3nc(C4CC4)no3)nc2c1 ZINC000053331562 564078894 /nfs/dbraw/zinc/07/88/94/564078894.db2.gz XKKGHUUDBGDSKM-VIFPVBQESA-N 0 0 330.413 4.075 50 0 EIAARN O=C(CCc1nc(-c2ccncc2)no1)c1csc2ccccc12 ZINC000088337166 564078945 /nfs/dbraw/zinc/07/89/45/564078945.db2.gz KFZARLHFTJOHBS-UHFFFAOYSA-N 0 0 335.388 4.162 50 0 EIAARN CC[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(C)cc1 ZINC000012933048 564078948 /nfs/dbraw/zinc/07/89/48/564078948.db2.gz QSPRCYNLGQEUDT-FUHWJXTLSA-N 0 0 329.827 4.219 50 0 EIAARN O=C(Nc1cccc2ncccc21)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012935593 564079262 /nfs/dbraw/zinc/07/92/62/564079262.db2.gz QUSZBHLJFKAHCL-KRWDZBQOSA-N 0 0 348.402 4.045 50 0 EIAARN O=C(COc1cccc(F)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC000012938363 564079412 /nfs/dbraw/zinc/07/94/12/564079412.db2.gz BBYZMAXRDGDMLI-UHFFFAOYSA-N 0 0 349.361 4.074 50 0 EIAARN CC(C)C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cn1)n1cccc1 ZINC000575442995 564079424 /nfs/dbraw/zinc/07/94/24/564079424.db2.gz CHKDCQAXLGPCHN-ZDUSSCGKSA-N 0 0 325.334 4.128 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000575443041 564079440 /nfs/dbraw/zinc/07/94/40/564079440.db2.gz DTIMJGYGBDYIEF-RDTXWAMCSA-N 0 0 336.439 4.150 50 0 EIAARN CC(C)C[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)n1cccc1 ZINC000575443292 564079488 /nfs/dbraw/zinc/07/94/88/564079488.db2.gz VGGQUEZWKJOJRR-IBGZPJMESA-N 0 0 341.430 4.055 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(F)cc3)cc12 ZINC000012944756 564079674 /nfs/dbraw/zinc/07/96/74/564079674.db2.gz FPKSPEFXYFYOJL-UHFFFAOYSA-N 0 0 345.443 4.131 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000012943514 564079678 /nfs/dbraw/zinc/07/96/78/564079678.db2.gz BRKOHWJCEORYSN-GOSISDBHSA-N 0 0 337.419 4.052 50 0 EIAARN CN(Cc1ccncc1)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000088787369 564079887 /nfs/dbraw/zinc/07/98/87/564079887.db2.gz INEGUZBLQNVZIN-HXUWFJFHSA-N 0 0 349.409 4.152 50 0 EIAARN C[C@H](c1ccccc1F)N(C(=O)NCc1cccc(F)c1)C1CC1 ZINC000075094249 564079935 /nfs/dbraw/zinc/07/99/35/564079935.db2.gz GEBSLHIPDAJLCO-CYBMUJFWSA-N 0 0 330.378 4.400 50 0 EIAARN CO[C@H](C)C(=O)Nc1cccc(NCc2ccccc2OC(C)C)c1 ZINC000121650468 564080443 /nfs/dbraw/zinc/08/04/43/564080443.db2.gz GSNZIIYCNDYTQD-OAHLLOKOSA-N 0 0 342.439 4.059 50 0 EIAARN CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)C(C)C)cc3cc21 ZINC000575473233 564081011 /nfs/dbraw/zinc/08/10/11/564081011.db2.gz PFRTVFDVYJBQAD-UHFFFAOYSA-N 0 0 325.408 4.263 50 0 EIAARN Cc1cc(C)cc(-c2nc3n(n2)C(=O)N(c2ccccc2)CS3)c1 ZINC000075271434 564081356 /nfs/dbraw/zinc/08/13/56/564081356.db2.gz TUPKSLWDUAFHJS-UHFFFAOYSA-N 0 0 336.420 4.100 50 0 EIAARN COC(=O)Cn1c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000075284274 564081604 /nfs/dbraw/zinc/08/16/04/564081604.db2.gz SSYYCNAZRPNTOX-UHFFFAOYSA-N 0 0 346.839 4.155 50 0 EIAARN Cc1cc(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cnn1 ZINC000346602817 564082159 /nfs/dbraw/zinc/08/21/59/564082159.db2.gz ZUCUCGJZLDWGOX-UHFFFAOYSA-N 0 0 348.233 4.021 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2cccs2)o1 ZINC000575607644 564082418 /nfs/dbraw/zinc/08/24/18/564082418.db2.gz AXXHHHVNVHZHAS-CYBMUJFWSA-N 0 0 327.405 4.092 50 0 EIAARN CC(C)c1ccc(OCC(=O)NCc2ccc(-c3ccco3)o2)cc1 ZINC000575608771 564082441 /nfs/dbraw/zinc/08/24/41/564082441.db2.gz KNPJNZUQQKWWQL-UHFFFAOYSA-N 0 0 339.391 4.358 50 0 EIAARN O=C(NCc1ccc(-c2ccsc2)o1)NCc1ccc(F)cc1 ZINC000575610885 564082610 /nfs/dbraw/zinc/08/26/10/564082610.db2.gz QSWXBDLQMFUHRL-UHFFFAOYSA-N 0 0 330.384 4.147 50 0 EIAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)Nc1cccs1 ZINC000575610997 564082647 /nfs/dbraw/zinc/08/26/47/564082647.db2.gz SCJOERJFJMPPGL-HNNXBMFYSA-N 0 0 344.461 4.332 50 0 EIAARN O=C(Cc1ccsc1)Nc1ccc(Br)cc1Cl ZINC000006260126 564083304 /nfs/dbraw/zinc/08/33/04/564083304.db2.gz GQFZOYSIELTSRE-UHFFFAOYSA-N 0 0 330.634 4.345 50 0 EIAARN COc1cc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000006259115 564083316 /nfs/dbraw/zinc/08/33/16/564083316.db2.gz UNEFGBRQSMXEEO-UHFFFAOYSA-N 0 0 339.313 4.283 50 0 EIAARN COc1ccc(Br)c(C(=O)Nc2ccc(F)cc2C)c1 ZINC000006260217 564083324 /nfs/dbraw/zinc/08/33/24/564083324.db2.gz GQHMFCUVEVOHQY-UHFFFAOYSA-N 0 0 338.176 4.158 50 0 EIAARN C[C@H]1CCN(C(=O)CSc2ccc(O)cc2)c2ccccc2S1 ZINC000064037628 564083684 /nfs/dbraw/zinc/08/36/84/564083684.db2.gz VCBYFPATSMDXLO-ZDUSSCGKSA-N 0 0 345.489 4.402 50 0 EIAARN Cc1ccc(NC(=O)NC2CCCC2)cc1NC(=O)NC1CCCC1 ZINC000006301559 564083739 /nfs/dbraw/zinc/08/37/39/564083739.db2.gz YSGNDROGFZJVCM-UHFFFAOYSA-N 0 0 344.459 4.123 50 0 EIAARN O=C(Cc1cccc2ccccc21)NCc1cncc(-c2ccoc2)c1 ZINC000575620094 564083871 /nfs/dbraw/zinc/08/38/71/564083871.db2.gz KLNTVAPJHJKQRT-UHFFFAOYSA-N 0 0 342.398 4.354 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)c1ccccc1C(F)(F)F ZINC000006342564 564085119 /nfs/dbraw/zinc/08/51/19/564085119.db2.gz LGMSOHLIUNNJKR-UHFFFAOYSA-N 0 0 326.343 4.293 50 0 EIAARN O=C(Nc1nc2ccc(F)cc2s1)c1cccc(OC(F)F)c1 ZINC000006343068 564085124 /nfs/dbraw/zinc/08/51/24/564085124.db2.gz IDIQKKGZEHWBSQ-UHFFFAOYSA-N 0 0 338.310 4.289 50 0 EIAARN CC[C@H](C(=O)N1CCC(c2nnc(C(C)C)o2)CC1)c1ccccc1 ZINC000035597640 564085357 /nfs/dbraw/zinc/08/53/57/564085357.db2.gz NMWWXZVVGFCPIO-KRWDZBQOSA-N 0 0 341.455 4.093 50 0 EIAARN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1ccccc1 ZINC000006391093 564085509 /nfs/dbraw/zinc/08/55/09/564085509.db2.gz ZYLDHSIJXCOPFH-LLVKDONJSA-N 0 0 330.844 4.166 50 0 EIAARN Fc1c(Cl)cccc1-c1noc(CCOCc2ccccc2)n1 ZINC000460515374 564085559 /nfs/dbraw/zinc/08/55/59/564085559.db2.gz HAFIUGMFHLICQJ-UHFFFAOYSA-N 0 0 332.762 4.288 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(F)cc3)s2)cs1 ZINC000012995634 564086025 /nfs/dbraw/zinc/08/60/25/564086025.db2.gz OLDRAMNWYYSOOV-UHFFFAOYSA-N 0 0 346.452 4.292 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)n1 ZINC000013002450 564086337 /nfs/dbraw/zinc/08/63/37/564086337.db2.gz BSOTWQNYMFXYIJ-HNNXBMFYSA-N 0 0 331.419 4.081 50 0 EIAARN Fc1ccc([C@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 ZINC000013009208 564086471 /nfs/dbraw/zinc/08/64/71/564086471.db2.gz YKRBUYWZZNJKGC-CQSZACIVSA-N 0 0 329.400 4.274 50 0 EIAARN CCn1c(C)nnc1CSCc1ncc(-c2ccccc2)s1 ZINC000091037010 564087169 /nfs/dbraw/zinc/08/71/69/564087169.db2.gz IGQGEOUQPVVQTJ-UHFFFAOYSA-N 0 0 330.482 4.163 50 0 EIAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(C)cc2)N1 ZINC000001764475 564087394 /nfs/dbraw/zinc/08/73/94/564087394.db2.gz FXSVNCBUPHSAAE-QGZVFWFLSA-N 0 0 331.872 4.111 50 0 EIAARN C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc2ccccc21 ZINC000225597779 564087472 /nfs/dbraw/zinc/08/74/72/564087472.db2.gz HBWDJTIPRBSGIK-OAHLLOKOSA-N 0 0 331.415 4.136 50 0 EIAARN Fc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 ZINC000001773908 564087476 /nfs/dbraw/zinc/08/74/76/564087476.db2.gz XCJWPTPCGFSNFQ-OAHLLOKOSA-N 0 0 327.750 4.118 50 0 EIAARN Cc1ccc(-c2nnc(SCc3cn4ccsc4n3)o2)cc1 ZINC000064308330 564087520 /nfs/dbraw/zinc/08/75/20/564087520.db2.gz SNBDXYACAKDADB-UHFFFAOYSA-N 0 0 328.422 4.047 50 0 EIAARN Cc1nnc(CSCc2ccc(F)c3cccnc23)n1C1CC1 ZINC000091617414 564087762 /nfs/dbraw/zinc/08/77/62/564087762.db2.gz XQEMGQPCDCOWFI-UHFFFAOYSA-N 0 0 328.416 4.042 50 0 EIAARN O=C(Nc1ccc2c(c1)COC2)c1cc(-c2cccc(Cl)c2)on1 ZINC000092051010 564088818 /nfs/dbraw/zinc/08/88/18/564088818.db2.gz HFAUYQZKRGLAII-UHFFFAOYSA-N 0 0 340.766 4.278 50 0 EIAARN COc1ccc(C(=O)Nc2nc3c(ccc(C)c3C)s2)cc1OC ZINC000006478543 564089968 /nfs/dbraw/zinc/08/99/68/564089968.db2.gz JDURKLZRVWPWAE-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2ccoc2Cl)cc1)c1cccs1 ZINC000192298399 564090095 /nfs/dbraw/zinc/09/00/95/564090095.db2.gz IBKUXHYJURMPBI-UHFFFAOYSA-N 0 0 346.795 4.499 50 0 EIAARN CC[C@H](NC(=O)N1CCC(c2ccncc2)CC1)c1cccs1 ZINC000192342336 564090104 /nfs/dbraw/zinc/09/01/04/564090104.db2.gz CNPAVERPAWAHBN-INIZCTEOSA-N 0 0 329.469 4.183 50 0 EIAARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001961933 564090369 /nfs/dbraw/zinc/09/03/69/564090369.db2.gz VCKWAFKQTUUWJE-UHFFFAOYSA-N 0 0 345.826 4.433 50 0 EIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(F)(F)F ZINC000001986349 564090376 /nfs/dbraw/zinc/09/03/76/564090376.db2.gz UYQSKOREBWGUGB-UHFFFAOYSA-N 0 0 343.326 4.093 50 0 EIAARN C[C@@H](Nc1nccc2c1C(=O)OC2(C)C)c1nc(C(C)(C)C)cs1 ZINC000079002600 564090569 /nfs/dbraw/zinc/09/05/69/564090569.db2.gz GNIZBUMOMPYCSE-SNVBAGLBSA-N 0 0 345.468 4.414 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cc2c(s1)CCCC2 ZINC000006510227 564091248 /nfs/dbraw/zinc/09/12/48/564091248.db2.gz HMNIIFROKKOYJF-UHFFFAOYSA-N 0 0 329.421 4.041 50 0 EIAARN COc1ccccc1NCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000006510062 564091272 /nfs/dbraw/zinc/09/12/72/564091272.db2.gz MHZAEHHODNBJDM-UHFFFAOYSA-N 0 0 346.430 4.013 50 0 EIAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@H]2c1cccc(N)c1 ZINC000016652238 564091417 /nfs/dbraw/zinc/09/14/17/564091417.db2.gz BVMLGIDRODFNIZ-MRUHUIDDSA-N 0 0 339.435 4.432 50 0 EIAARN Cc1ccc(CN2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc1 ZINC000054278179 564091833 /nfs/dbraw/zinc/09/18/33/564091833.db2.gz IQMMQSIBEKRBJF-UHFFFAOYSA-N 0 0 349.430 4.379 50 0 biogenic EIAARN Cn1cccc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000006552256 564091945 /nfs/dbraw/zinc/09/19/45/564091945.db2.gz UGRFMHMOOHTDDD-UHFFFAOYSA-N 0 0 325.408 4.113 50 0 EIAARN CC(C)(C)n1ncc(NC[C@H]2CCCc3ccccc32)c(Cl)c1=O ZINC000064537835 564092142 /nfs/dbraw/zinc/09/21/42/564092142.db2.gz ULHNFJJGGMBWBS-CQSZACIVSA-N 0 0 345.874 4.184 50 0 EIAARN O=C(Nc1nc2ccc(F)cc2s1)c1nc(Cl)ccc1Cl ZINC000006579422 564092237 /nfs/dbraw/zinc/09/22/37/564092237.db2.gz ODNUNXIOAYYQRL-UHFFFAOYSA-N 0 0 342.182 4.390 50 0 EIAARN Fc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000006584512 564092306 /nfs/dbraw/zinc/09/23/06/564092306.db2.gz PRDNNQLUOHGMFU-CVEARBPZSA-N 0 0 328.778 4.217 50 0 EIAARN O=C(CSC1=Nc2ccccc2CS1)Nc1ccc(F)cc1 ZINC000006590201 564092400 /nfs/dbraw/zinc/09/24/00/564092400.db2.gz HKIMQKNMMDZYAD-UHFFFAOYSA-N 0 0 332.425 4.432 50 0 EIAARN COc1cccc(CC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000006589748 564092440 /nfs/dbraw/zinc/09/24/40/564092440.db2.gz QUHFUOIRVYGNEN-UHFFFAOYSA-N 0 0 335.403 4.060 50 0 EIAARN CN(CC(F)(F)F)C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000066305378 564092544 /nfs/dbraw/zinc/09/25/44/564092544.db2.gz WXPZFNBVVOTSAJ-UHFFFAOYSA-N 0 0 334.750 4.098 50 0 EIAARN CCCCc1c(C)nn(-c2nnc3c4ccccc4n(CC)c3n2)c1C ZINC000002030944 564092764 /nfs/dbraw/zinc/09/27/64/564092764.db2.gz YOHBRAYMFNPTAQ-UHFFFAOYSA-N 0 0 348.454 4.145 50 0 EIAARN CN(CCC(C)(C)O)C(=O)c1cccc(-c2ccc(F)c(Cl)c2)c1 ZINC000426431187 564093765 /nfs/dbraw/zinc/09/37/65/564093765.db2.gz XLBGTMXXAHQIAZ-UHFFFAOYSA-N 0 0 349.833 4.379 50 0 EIAARN CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(-c2ccsc2)cc1 ZINC000426470779 564093792 /nfs/dbraw/zinc/09/37/92/564093792.db2.gz DCMPAGIQXVMKDM-SFHVURJKSA-N 0 0 329.465 4.446 50 0 EIAARN C[C@H](NC(=O)N1CC(c2ccncc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000426526518 564093985 /nfs/dbraw/zinc/09/39/85/564093985.db2.gz WLZLYJHCDZOIJR-HNNXBMFYSA-N 0 0 337.467 4.249 50 0 EIAARN O=C(NC[C@H]1CCCOC1)c1cccc(-c2ccc3ncccc3c2)c1 ZINC000426551088 564094092 /nfs/dbraw/zinc/09/40/92/564094092.db2.gz IVONHQPIPOJYQU-MRXNPFEDSA-N 0 0 346.430 4.058 50 0 EIAARN CCC[C@H]1COCCN1C(=O)c1ccc(-c2cc(C)ccc2O)cc1 ZINC000426574891 564094135 /nfs/dbraw/zinc/09/41/35/564094135.db2.gz KUNKRLBUSIBCNK-SFHVURJKSA-N 0 0 339.435 4.009 50 0 EIAARN Cn1c(C(=O)N[C@@H]2COC3(C2)CCCCC3)cc2cccc(Cl)c21 ZINC000426574674 564094163 /nfs/dbraw/zinc/09/41/63/564094163.db2.gz GEMFVYSJEQFSBQ-AWEZNQCLSA-N 0 0 346.858 4.053 50 0 EIAARN CC[C@H]1COCCN1C(=O)c1cccc(-c2nccc3ccccc32)c1 ZINC000426689080 564094385 /nfs/dbraw/zinc/09/43/85/564094385.db2.gz CDUWMYJGAFYPTI-IBGZPJMESA-N 0 0 346.430 4.153 50 0 EIAARN O=C(c1cnoc1-c1ccccc1)N1CCc2c([nH]c3ccccc32)C1 ZINC000426697269 564094408 /nfs/dbraw/zinc/09/44/08/564094408.db2.gz CNIBABGQXRZSNT-UHFFFAOYSA-N 0 0 343.386 4.021 50 0 EIAARN O=C(c1cccc(-c2ccc3occc3c2)c1)N1CCC2(CCO2)CC1 ZINC000426734198 564094467 /nfs/dbraw/zinc/09/44/67/564094467.db2.gz ACUXFGLOHILQDI-UHFFFAOYSA-N 0 0 347.414 4.495 50 0 EIAARN COc1ccc(-n2cnnc2SCc2ccccc2Cl)cc1 ZINC000006622258 564094567 /nfs/dbraw/zinc/09/45/67/564094567.db2.gz IBTYODJNEYISPT-UHFFFAOYSA-N 0 0 331.828 4.222 50 0 EIAARN CCCCCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000006635284 564094695 /nfs/dbraw/zinc/09/46/95/564094695.db2.gz QBSYKCTVFHCGPK-UHFFFAOYSA-N 0 0 331.441 4.237 50 0 EIAARN Cc1ccc(Cn2ncc3ccc(C(=O)NCCC(C)C)cc32)cc1 ZINC000064664856 564094910 /nfs/dbraw/zinc/09/49/10/564094910.db2.gz QUXALZBQADWVBF-UHFFFAOYSA-N 0 0 335.451 4.169 50 0 EIAARN CC[C@H](C)NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064664647 564094913 /nfs/dbraw/zinc/09/49/13/564094913.db2.gz BRBWQCBSKWXMBP-ZDUSSCGKSA-N 0 0 341.842 4.266 50 0 EIAARN Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)c1 ZINC000064667258 564094947 /nfs/dbraw/zinc/09/49/47/564094947.db2.gz WGIYPXFBBIAQNZ-KRWDZBQOSA-N 0 0 335.382 4.102 50 0 EIAARN CCOc1ccc2nc(NC(=O)c3cc(F)cc(F)c3)sc2c1 ZINC000006650206 564095178 /nfs/dbraw/zinc/09/51/78/564095178.db2.gz CCHCIYYAFRGDKB-UHFFFAOYSA-N 0 0 334.347 4.226 50 0 EIAARN CCOc1ccc(N[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000006652961 564095476 /nfs/dbraw/zinc/09/54/76/564095476.db2.gz MTEKEEVZURTMKL-YWZLYKJASA-N 0 0 338.451 4.080 50 0 EIAARN CCn1cnc2ccc(-c3noc(C4(c5ccccc5)CC4)n3)cc21 ZINC000064759521 564095975 /nfs/dbraw/zinc/09/59/75/564095975.db2.gz 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/nfs/dbraw/zinc/10/86/29/564108629.db2.gz FHHVCGFGZRVEEW-UHFFFAOYSA-N 0 0 340.810 4.217 50 0 EIAARN COc1nc(C(=O)Nc2cnc3ccccc3c2)cc2ccccc21 ZINC000170594225 564109001 /nfs/dbraw/zinc/10/90/01/564109001.db2.gz GHYDBOPWTKSHDG-UHFFFAOYSA-N 0 0 329.359 4.044 50 0 EIAARN Cc1ccc(OCCC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c(C)c1 ZINC000170594666 564109050 /nfs/dbraw/zinc/10/90/50/564109050.db2.gz KZWADBPSBYWHMG-VQIMIIECSA-N 0 0 338.451 4.077 50 0 EIAARN C[C@H](OCc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000170604752 564109514 /nfs/dbraw/zinc/10/95/14/564109514.db2.gz PCHMLULVPWRESZ-KBPBESRZSA-N 0 0 329.827 4.223 50 0 EIAARN O=C(CCCc1nc2ccccc2s1)Nc1nc(Cl)ccc1O ZINC000170610118 564109785 /nfs/dbraw/zinc/10/97/85/564109785.db2.gz PMTAGVHWALWSQY-UHFFFAOYSA-N 0 0 347.827 4.012 50 0 EIAARN C[C@H](OC(=O)Cc1cccc(C(F)F)c1)c1nc2ccccc2n1C ZINC000170618341 564110112 /nfs/dbraw/zinc/11/01/12/564110112.db2.gz FZJNUGISHORVFK-LBPRGKRZSA-N 0 0 344.361 4.358 50 0 EIAARN COc1ccc(CNc2ncnc3ccccc32)c(C(F)(F)F)c1 ZINC000170618564 564110129 /nfs/dbraw/zinc/11/01/29/564110129.db2.gz ZBKULRHTDLPHQS-UHFFFAOYSA-N 0 0 333.313 4.269 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc3ccccc3o2)c1C ZINC000007548944 564110276 /nfs/dbraw/zinc/11/02/76/564110276.db2.gz BRPJKTSCVSGBCN-GFCCVEGCSA-N 0 0 342.420 4.339 50 0 EIAARN Cc1cc(-c2csc(NC(=O)Cc3cccs3)n2)c(C)n1C ZINC000010220061 564111063 /nfs/dbraw/zinc/11/10/63/564111063.db2.gz KRJFEWSGGOFIMW-UHFFFAOYSA-N 0 0 331.466 4.008 50 0 EIAARN Cc1ccc(SCCCC(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000010217923 564111065 /nfs/dbraw/zinc/11/10/65/564111065.db2.gz ZJBMTJLOOWEGCL-UHFFFAOYSA-N 0 0 343.408 4.149 50 0 EIAARN Cc1cccc(C)c1OC1CCN(C(=O)NCc2cccs2)CC1 ZINC000042838076 564111132 /nfs/dbraw/zinc/11/11/32/564111132.db2.gz YXZQUJONDGKHJT-UHFFFAOYSA-N 0 0 344.480 4.118 50 0 EIAARN Cc1ccccc1NC(=S)Nc1ccn(Cc2ccc(F)cc2)n1 ZINC000013330876 564111634 /nfs/dbraw/zinc/11/16/34/564111634.db2.gz YEXRKMFDOKBXOD-UHFFFAOYSA-N 0 0 340.427 4.188 50 0 EIAARN COc1ccc(Cl)cc1COc1ccc(N2CCCC2=O)cc1 ZINC000014349488 564112426 /nfs/dbraw/zinc/11/24/26/564112426.db2.gz XIXRTSBBOPJSAU-UHFFFAOYSA-N 0 0 331.799 4.054 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000014428685 564112470 /nfs/dbraw/zinc/11/24/70/564112470.db2.gz KDARQEGHHMLZGQ-UHFFFAOYSA-N 0 0 338.238 4.487 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1F ZINC000014573973 564112509 /nfs/dbraw/zinc/11/25/09/564112509.db2.gz GAUFRVPUTKAKHS-SECBINFHSA-N 0 0 329.268 4.475 50 0 EIAARN Cc1csc(N(C(=O)c2ccc(Cl)nc2)c2ccccc2)n1 ZINC000014586834 564112519 /nfs/dbraw/zinc/11/25/19/564112519.db2.gz CPDUCIOYHXUWAL-UHFFFAOYSA-N 0 0 329.812 4.478 50 0 EIAARN Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 ZINC000014659411 564112988 /nfs/dbraw/zinc/11/29/88/564112988.db2.gz MSGJFIQTSILJQT-UHFFFAOYSA-N 0 0 336.416 4.075 50 0 EIAARN Cc1cnc([C@@H](NC(=O)N(Cc2ccccc2)C2CC2)C2CC2)s1 ZINC000089702381 564113180 /nfs/dbraw/zinc/11/31/80/564113180.db2.gz NWXBIOJRUKJXOA-KRWDZBQOSA-N 0 0 341.480 4.277 50 0 EIAARN Cc1cccn2cc(COC(=O)c3cc4c(s3)CC[C@@H](C)C4)nc12 ZINC000014675998 564113200 /nfs/dbraw/zinc/11/32/00/564113200.db2.gz NLWXVJFCZIMURE-GFCCVEGCSA-N 0 0 340.448 4.186 50 0 EIAARN COc1ccccc1-c1cnn2c1nc(C)cc2Nc1ccccc1 ZINC000007572480 564113645 /nfs/dbraw/zinc/11/36/45/564113645.db2.gz LZQMHFNZFDHHRJ-UHFFFAOYSA-N 0 0 330.391 4.457 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000075939385 564113741 /nfs/dbraw/zinc/11/37/41/564113741.db2.gz NKNZGJBWIMQANB-UHFFFAOYSA-N 0 0 326.425 4.217 50 0 EIAARN C=Cc1ccc(COC(=O)c2nnn(-c3ccc(CC)cc3)c2C)cc1 ZINC000016841509 564113813 /nfs/dbraw/zinc/11/38/13/564113813.db2.gz KAOTYQPYEBMXIB-UHFFFAOYSA-N 0 0 347.418 4.138 50 0 EIAARN O=C(c1cnc(-c2ccc(C(F)(F)F)cc2)s1)N1CCCC1 ZINC000089793867 564113841 /nfs/dbraw/zinc/11/38/41/564113841.db2.gz GROZXRZZZCLEQU-UHFFFAOYSA-N 0 0 326.343 4.065 50 0 EIAARN Fc1ccccc1-c1nnc(CNc2cccc(Br)c2)o1 ZINC000089821285 564114046 /nfs/dbraw/zinc/11/40/46/564114046.db2.gz SHCVKHUKKSIYGU-UHFFFAOYSA-N 0 0 348.175 4.250 50 0 EIAARN CS[C@@H]1CC[C@@H](NC(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 ZINC000076069475 564115357 /nfs/dbraw/zinc/11/53/57/564115357.db2.gz ISULTEVNCFGRGX-HUUCEWRRSA-N 0 0 331.441 4.056 50 0 EIAARN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c(O)c1 ZINC000675589433 564115986 /nfs/dbraw/zinc/11/59/86/564115986.db2.gz VNEJNZJARQCOFJ-INIZCTEOSA-N 0 0 336.391 4.209 50 0 EIAARN Cc1ccc(-c2cc3c(=O)n(Cc4cccc(Cl)c4)ccn3n2)cc1 ZINC000017051481 564116270 /nfs/dbraw/zinc/11/62/70/564116270.db2.gz QLSZSTGYOMXFAB-UHFFFAOYSA-N 0 0 349.821 4.173 50 0 EIAARN O=[S@@](CCSc1nnc(C2CCCCC2)o1)c1ccccc1 ZINC000076391628 564116557 /nfs/dbraw/zinc/11/65/57/564116557.db2.gz FJOYQGWROJXZOR-JOCHJYFZSA-N 0 0 336.482 4.017 50 0 EIAARN Cc1ccc2cccc(OCCOCCOc3ccccc3F)c2n1 ZINC000002825161 564117003 /nfs/dbraw/zinc/11/70/03/564117003.db2.gz NCWMPDKVSLSRHJ-UHFFFAOYSA-N 0 0 341.382 4.157 50 0 EIAARN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C12CCCC2 ZINC000170637046 564117347 /nfs/dbraw/zinc/11/73/47/564117347.db2.gz QMAJNZKPUZRPQY-QWHCGFSZSA-N 0 0 345.270 4.131 50 0 EIAARN c1ccc(COc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1 ZINC000006698051 564117423 /nfs/dbraw/zinc/11/74/23/564117423.db2.gz IYVDSDSDTPUXJV-UHFFFAOYSA-N 0 0 329.359 4.378 50 0 EIAARN CC(=O)N(CC[C@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000002092806 564117575 /nfs/dbraw/zinc/11/75/75/564117575.db2.gz VLJBAHSCBUFIGT-PKOBYXMFSA-N 0 0 335.488 4.496 50 0 biogenic EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(F)c(F)c2)c1C ZINC000007807217 564117580 /nfs/dbraw/zinc/11/75/80/564117580.db2.gz OTNDIJLIGWYCHY-LLVKDONJSA-N 0 0 337.391 4.476 50 0 EIAARN O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000252444009 564118473 /nfs/dbraw/zinc/11/84/73/564118473.db2.gz OIWCBYBVRZEGJY-OLZOCXBDSA-N 0 0 341.282 4.444 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc(F)c(Cl)c2)CO1 ZINC000002124664 564118514 /nfs/dbraw/zinc/11/85/14/564118514.db2.gz PHCGFHVONOJNPH-UHFFFAOYSA-N 0 0 345.757 4.250 50 0 biogenic EIAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)Nc2ccc(N3CCCC3)nc2)o1 ZINC000252452800 564118543 /nfs/dbraw/zinc/11/85/43/564118543.db2.gz FAQQBCVEFMSXMN-RBJPWVEASA-N 0 0 337.423 4.050 50 0 EIAARN C/C=C/C=C\C(=O)Nc1ccc(-c2ccn(C(=O)/C=C/C=C\C)n2)cc1 ZINC000252474923 564118963 /nfs/dbraw/zinc/11/89/63/564118963.db2.gz ORUIGWKZVUKKEX-MGOSYAHRSA-N 0 0 347.418 4.393 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(cccc2F)s1 ZINC000007598928 564118997 /nfs/dbraw/zinc/11/89/97/564118997.db2.gz OHINSUVDGFQDHS-UHFFFAOYSA-N 0 0 329.352 4.064 50 0 EIAARN CCOC(=O)N(C)c1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000054528796 564119095 /nfs/dbraw/zinc/11/90/95/564119095.db2.gz CXOQOGSVFMOXCF-CYBMUJFWSA-N 0 0 345.399 4.063 50 0 EIAARN Cc1c(C(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)oc2c1c(C)ccc2C ZINC000252515949 564120250 /nfs/dbraw/zinc/12/02/50/564120250.db2.gz OWUHUINPSMCJFT-FSPWUOQZSA-N 0 0 328.408 4.328 50 0 EIAARN CCCc1sc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1CC ZINC000252514064 564120259 /nfs/dbraw/zinc/12/02/59/564120259.db2.gz AZZJZZHWTDAYGW-KBRIMQKVSA-N 0 0 335.513 4.149 50 0 EIAARN CC(C)Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccccn1 ZINC000252533115 564120530 /nfs/dbraw/zinc/12/05/30/564120530.db2.gz FWANYMWVCKPSFY-LJQANCHMSA-N 0 0 348.450 4.065 50 0 EIAARN CO[C@@H](CNC(=O)Nc1c(F)cccc1F)c1ccc(Cl)s1 ZINC000225709277 564120731 /nfs/dbraw/zinc/12/07/31/564120731.db2.gz PVHGKKKKQDIELT-JTQLQIEISA-N 0 0 346.786 4.189 50 0 EIAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000007609478 564120880 /nfs/dbraw/zinc/12/08/80/564120880.db2.gz DNLLRKASICWEDM-QGZVFWFLSA-N 0 0 344.842 4.123 50 0 EIAARN CC[C@H](NC(=O)Cc1ccccc1F)c1ccccc1OC(F)F ZINC000027358759 564121064 /nfs/dbraw/zinc/12/10/64/564121064.db2.gz SNUHQQGIKZCTLI-HNNXBMFYSA-N 0 0 337.341 4.237 50 0 EIAARN O=C(Nc1cc(Cl)ccn1)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000002206444 564121155 /nfs/dbraw/zinc/12/11/55/564121155.db2.gz ACXBEPYLGCXLKV-CQSZACIVSA-N 0 0 341.625 4.189 50 0 EIAARN C[C@H](Cc1ccsc1)NC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000065818808 564121338 /nfs/dbraw/zinc/12/13/38/564121338.db2.gz JNPODUKBWDWGFS-LLVKDONJSA-N 0 0 344.465 4.019 50 0 EIAARN c1cc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cs1 ZINC000007642047 564121472 /nfs/dbraw/zinc/12/14/72/564121472.db2.gz VEBKMGSSUHQTES-UHFFFAOYSA-N 0 0 348.522 4.482 50 0 EIAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000007641973 564121491 /nfs/dbraw/zinc/12/14/91/564121491.db2.gz SVNJJLXLFLWLTP-UHFFFAOYSA-N 0 0 342.395 4.275 50 0 EIAARN O=C(Cc1cccs1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007688720 564121911 /nfs/dbraw/zinc/12/19/11/564121911.db2.gz XGKZKFDHQNAPKZ-UHFFFAOYSA-N 0 0 336.388 4.331 50 0 EIAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(Cl)c[nH]1 ZINC000065880390 564121915 /nfs/dbraw/zinc/12/19/15/564121915.db2.gz LJQIFNDRIQQRHY-UHFFFAOYSA-N 0 0 339.826 4.214 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)c1ccc2ncsc2c1 ZINC000007738744 564122489 /nfs/dbraw/zinc/12/24/89/564122489.db2.gz OZTJXFBIVBDAFC-UHFFFAOYSA-N 0 0 336.420 4.308 50 0 EIAARN COc1cc(C(C)=O)ccc1Oc1nc2cc(C)nn2c2ccccc21 ZINC000007737793 564122539 /nfs/dbraw/zinc/12/25/39/564122539.db2.gz HTHVZOVCTRXHBB-UHFFFAOYSA-N 0 0 347.374 4.194 50 0 EIAARN O=C(NCc1ccccc1F)c1ccccc1COc1ccccc1 ZINC000007755003 564122687 /nfs/dbraw/zinc/12/26/87/564122687.db2.gz KPSWZMHOJOQRFS-UHFFFAOYSA-N 0 0 335.378 4.335 50 0 EIAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)cc1OC ZINC000007755650 564122704 /nfs/dbraw/zinc/12/27/04/564122704.db2.gz JVUHLAQAZDMVBR-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1cccc(Cl)c1 ZINC000007757053 564122710 /nfs/dbraw/zinc/12/27/10/564122710.db2.gz IFUVVAXSGOMDPR-UHFFFAOYSA-N 0 0 332.806 4.082 50 0 EIAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(C)o2)cc1 ZINC000007778715 564123052 /nfs/dbraw/zinc/12/30/52/564123052.db2.gz XPAWOBITEXUDLH-UHFFFAOYSA-N 0 0 334.419 4.388 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccncc2)cs1 ZINC000007781189 564123238 /nfs/dbraw/zinc/12/32/38/564123238.db2.gz HNBWKLGUZHDPRH-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN Cc1cc(C)c(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c(C)c1 ZINC000007788394 564123319 /nfs/dbraw/zinc/12/33/19/564123319.db2.gz GZXGKCAHJRRYTD-UHFFFAOYSA-N 0 0 340.442 4.354 50 0 EIAARN COc1ccc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000007791226 564123416 /nfs/dbraw/zinc/12/34/16/564123416.db2.gz KUPTVHLLHMCCDZ-ZDUSSCGKSA-N 0 0 331.437 4.206 50 0 EIAARN C[C@@H]1CC[C@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)[C@@H](C)C1 ZINC000195560872 564123847 /nfs/dbraw/zinc/12/38/47/564123847.db2.gz GAGLPYAGTBOIND-WQYJIASKSA-N 0 0 349.540 4.351 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCCc2ccccc21 ZINC000007813354 564123972 /nfs/dbraw/zinc/12/39/72/564123972.db2.gz AAJSZXDJUNZOLN-UHFFFAOYSA-N 0 0 331.419 4.082 50 0 EIAARN Cc1cc(OCC(=O)N2CCc3sccc3[C@@H]2C)ccc1Cl ZINC000007829773 564124087 /nfs/dbraw/zinc/12/40/87/564124087.db2.gz WUGZDICJQQYJRT-LBPRGKRZSA-N 0 0 335.856 4.235 50 0 EIAARN CCc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@@H]1C ZINC000007878557 564124327 /nfs/dbraw/zinc/12/43/27/564124327.db2.gz NQTPPLXTIYWOFW-AWEZNQCLSA-N 0 0 328.481 4.177 50 0 EIAARN CSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000004086648 564125097 /nfs/dbraw/zinc/12/50/97/564125097.db2.gz DUGBCJDOOJBETA-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000007923909 564125482 /nfs/dbraw/zinc/12/54/82/564125482.db2.gz ROVKGXCCEKQSOM-UHFFFAOYSA-N 0 0 334.375 4.120 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000013783488 564129013 /nfs/dbraw/zinc/12/90/13/564129013.db2.gz UJVLDDZCTMKXJK-BXOMYGOZSA-N 0 0 340.463 4.370 50 0 in-vitro EIAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)nc2c1 ZINC000021345996 564129125 /nfs/dbraw/zinc/12/91/25/564129125.db2.gz NDZXEAVXECABOO-MCIONIFRSA-N 0 0 331.485 4.047 50 0 EIAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nocc5C[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000147152646 564129566 /nfs/dbraw/zinc/12/95/66/564129566.db2.gz NSYTUNFHWYMMHU-QOJGXCKPSA-N 0 0 329.484 4.383 50 0 EIAARN CC(=O)c1oc2ccccc2c1NC(=O)C[C@@H](C)c1c(C)noc1C ZINC000153995350 564130171 /nfs/dbraw/zinc/13/01/71/564130171.db2.gz LHUJVJKZCBKSKD-SNVBAGLBSA-N 0 0 340.379 4.373 50 0 EIAARN CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)n1 ZINC000253388813 564130408 /nfs/dbraw/zinc/13/04/08/564130408.db2.gz VAOUVGSWQMTUND-ULQDDVLXSA-N 0 0 339.439 4.050 50 0 EIAARN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(C)[C@H](C)c2ccccn2)cc1 ZINC000253392830 564130457 /nfs/dbraw/zinc/13/04/57/564130457.db2.gz HUXPXURGUJLMAZ-HZPDHXFCSA-N 0 0 338.451 4.243 50 0 EIAARN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc(F)nc2F)o1 ZINC000253424335 564131066 /nfs/dbraw/zinc/13/10/66/564131066.db2.gz DSTSHVRDESFTHN-ZWNOBZJWSA-N 0 0 335.354 4.266 50 0 EIAARN COc1ccc(Cl)c(NC(=O)c2cncnc2-c2ccccc2)c1 ZINC000253427628 564131191 /nfs/dbraw/zinc/13/11/91/564131191.db2.gz WRDBWWMXWRNZGZ-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN O=C(NCc1cc(-c2ccccc2Cl)on1)N1CCCCCC1 ZINC000584896769 564131635 /nfs/dbraw/zinc/13/16/35/564131635.db2.gz USNQWPVMXUOYJC-UHFFFAOYSA-N 0 0 333.819 4.081 50 0 EIAARN C[C@H](Sc1ccc(N)cc1)C(=O)OCc1cccc2cccnc21 ZINC000253431182 564131824 /nfs/dbraw/zinc/13/18/24/564131824.db2.gz UGXXBTWOKFJSLO-ZDUSSCGKSA-N 0 0 338.432 4.041 50 0 EIAARN COCCCNc1nc2ccccc2c(-c2ccc(Cl)cc2)n1 ZINC000253433534 564131954 /nfs/dbraw/zinc/13/19/54/564131954.db2.gz YATKUUZLWZHYLQ-UHFFFAOYSA-N 0 0 327.815 4.399 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@H]2O ZINC000253596346 564133146 /nfs/dbraw/zinc/13/31/46/564133146.db2.gz QIOYEDVDPAWRGZ-UXXOSCIKSA-N 0 0 332.484 4.053 50 0 EIAARN Cc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1C ZINC000002361232 564133715 /nfs/dbraw/zinc/13/37/15/564133715.db2.gz PKLQROZXWMEZBB-UHFFFAOYSA-N 0 0 332.367 4.117 50 0 EIAARN COC(=O)/C(=C1\Oc2ccc(C(C)(C)C)cc2S1)C(F)(F)F ZINC000002372844 564133879 /nfs/dbraw/zinc/13/38/79/564133879.db2.gz LZCMVWMVDAPPAT-QBFSEMIESA-N 0 0 332.343 4.416 50 0 EIAARN Cc1cnc(-c2cccc(NC(=O)N3CCCC(F)(F)CC3)c2)o1 ZINC000585123633 564134021 /nfs/dbraw/zinc/13/40/21/564134021.db2.gz QINLBDCMUPZKSR-UHFFFAOYSA-N 0 0 335.354 4.303 50 0 EIAARN CSc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000002383609 564134226 /nfs/dbraw/zinc/13/42/26/564134226.db2.gz MGWPZAIUUGOQSU-DHZHZOJOSA-N 0 0 336.460 4.262 50 0 EIAARN CC(C)c1ncncc1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000298985424 564134410 /nfs/dbraw/zinc/13/44/10/564134410.db2.gz QNJLPSLTJUJKFN-UHFFFAOYSA-N 0 0 348.450 4.101 50 0 EIAARN FC(F)COCCSc1nnc(-c2cccc3ccccc32)o1 ZINC000225442265 564134822 /nfs/dbraw/zinc/13/48/22/564134822.db2.gz PUGYARVNPANDGX-UHFFFAOYSA-N 0 0 336.363 4.264 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)N(CC(F)(F)F)c2ccccc2)c1C ZINC000117655318 564135502 /nfs/dbraw/zinc/13/55/02/564135502.db2.gz KFRYYIJJGUVCFH-UHFFFAOYSA-N 0 0 338.329 4.043 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1cccc(F)c1 ZINC000002451571 564135768 /nfs/dbraw/zinc/13/57/68/564135768.db2.gz HVNUQQLFRQBVFG-UHFFFAOYSA-N 0 0 345.418 4.284 50 0 EIAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccccc1 ZINC000013364806 564136297 /nfs/dbraw/zinc/13/62/97/564136297.db2.gz JCFCHXSGCCILHO-UHFFFAOYSA-N 0 0 329.407 4.406 50 0 EIAARN CC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000007952881 564136337 /nfs/dbraw/zinc/13/63/37/564136337.db2.gz QGIZRSAOXYETIR-UHFFFAOYSA-N 0 0 337.206 4.247 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000007954062 564136401 /nfs/dbraw/zinc/13/64/01/564136401.db2.gz RMVRFWPHUVDBJI-IBGZPJMESA-N 0 0 338.382 4.037 50 0 EIAARN COc1ccccc1NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C ZINC000092868528 564136406 /nfs/dbraw/zinc/13/64/06/564136406.db2.gz PHVMJQCNJLRFHF-INIZCTEOSA-N 0 0 342.443 4.184 50 0 EIAARN CCC[C@H]1CCCN(C(=O)Nc2cccc(-c3nnco3)c2)CC1 ZINC000078716904 564136916 /nfs/dbraw/zinc/13/69/16/564136916.db2.gz JWQNKNGDCVWIIM-AWEZNQCLSA-N 0 0 328.416 4.171 50 0 EIAARN CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2ccccc2n1 ZINC000078880150 564137305 /nfs/dbraw/zinc/13/73/05/564137305.db2.gz TZSUFQPPCWEUTK-IBGZPJMESA-N 0 0 334.467 4.354 50 0 EIAARN Cc1nnc([C@@H](C)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)o1 ZINC000079029725 564137684 /nfs/dbraw/zinc/13/76/84/564137684.db2.gz BWXFNNGHKDBJRT-SECBINFHSA-N 0 0 346.774 4.050 50 0 EIAARN CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c1C ZINC000079183163 564137988 /nfs/dbraw/zinc/13/79/88/564137988.db2.gz MHTGZLONLKAUDQ-HZPDHXFCSA-N 0 0 340.398 4.143 50 0 EIAARN CCOC[C@@H]1CCCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 ZINC000079306199 564138082 /nfs/dbraw/zinc/13/80/82/564138082.db2.gz XDIUHBKNPMYFPL-HUUCEWRRSA-N 0 0 336.501 4.391 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000079320657 564138110 /nfs/dbraw/zinc/13/81/10/564138110.db2.gz HUKIDKDCCLNDOL-SJKOYZFVSA-N 0 0 345.874 4.158 50 0 EIAARN COc1cc(SC)ccc1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000278380077 564138320 /nfs/dbraw/zinc/13/83/20/564138320.db2.gz SUFRWHXWRIVMKX-HNNXBMFYSA-N 0 0 343.448 4.173 50 0 EIAARN O=S(=O)(Cc1ccccc1)N[C@H](c1ccsc1)c1cccs1 ZINC000390827256 564138539 /nfs/dbraw/zinc/13/85/39/564138539.db2.gz VMSUHXYHHLGORR-MRXNPFEDSA-N 0 0 349.502 4.019 50 0 EIAARN CO[C@@H](CNC(=O)Nc1c(F)cccc1F)c1cc2ccccc2o1 ZINC000390830165 564138619 /nfs/dbraw/zinc/13/86/19/564138619.db2.gz JEWODPUAFRNQQJ-INIZCTEOSA-N 0 0 346.333 4.220 50 0 EIAARN Cn1ccnc1Sc1ccccc1NC(=O)c1ccoc1C1CC1 ZINC000390833848 564138867 /nfs/dbraw/zinc/13/88/67/564138867.db2.gz NXBHCXUIXHVKEM-UHFFFAOYSA-N 0 0 339.420 4.294 50 0 EIAARN O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ccccc2)c1Cl ZINC000095117427 564139143 /nfs/dbraw/zinc/13/91/43/564139143.db2.gz QXLGQCYIXJXOGN-UHFFFAOYSA-N 0 0 333.725 4.056 50 0 EIAARN C[C@H]1CCCCN1c1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329626 564139163 /nfs/dbraw/zinc/13/91/63/564139163.db2.gz SAMSNURCIVLGTP-NSHDSACASA-N 0 0 328.803 4.317 50 0 EIAARN C[C@H]1CCCC[C@@H]1OCCNc1nn2cc(C(C)(C)C)nc2s1 ZINC000095356620 564139253 /nfs/dbraw/zinc/13/92/53/564139253.db2.gz KKISLHSVAZUMFC-STQMWFEESA-N 0 0 336.505 4.096 50 0 EIAARN CN(Cc1csc(-c2ncccn2)n1)Cc1c(F)cccc1Cl ZINC000095352989 564139291 /nfs/dbraw/zinc/13/92/91/564139291.db2.gz DLLQOZJTVDOPIV-UHFFFAOYSA-N 0 0 348.834 4.025 50 0 EIAARN O=C(Nc1cccc(-c2nnco2)c1)Nc1cccc2c1CCCC2 ZINC000095373468 564139369 /nfs/dbraw/zinc/13/93/69/564139369.db2.gz KPKXYLBELWGLHP-UHFFFAOYSA-N 0 0 334.379 4.259 50 0 EIAARN Cc1cnc([C@H](NC(=O)N([C@@H](C)c2ccco2)C2CC2)C2CC2)s1 ZINC000095409965 564139639 /nfs/dbraw/zinc/13/96/39/564139639.db2.gz VEBXGJDGAOVGPP-BLLLJJGKSA-N 0 0 345.468 4.431 50 0 EIAARN COCCCSc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1 ZINC000095412336 564139672 /nfs/dbraw/zinc/13/96/72/564139672.db2.gz JYCBNVOXWYORJT-UHFFFAOYSA-N 0 0 334.485 4.223 50 0 EIAARN CC(C)(C)c1nnc(CSCc2ccn(-c3ccc(F)cc3)n2)o1 ZINC000095412924 564139713 /nfs/dbraw/zinc/13/97/13/564139713.db2.gz FJPIAQXZWHKTOJ-UHFFFAOYSA-N 0 0 346.431 4.125 50 0 EIAARN C[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000095419546 564139854 /nfs/dbraw/zinc/13/98/54/564139854.db2.gz DUAPMYXHDMWETO-CCQPRUGESA-N 0 0 339.460 4.457 50 0 EIAARN Cc1ccsc1[C@H](C)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000095419868 564139866 /nfs/dbraw/zinc/13/98/66/564139866.db2.gz UQPFMVJBRHQYJZ-BBRMVZONSA-N 0 0 329.444 4.369 50 0 EIAARN Cc1csc(CNc2cccc(COC[C@H]3CCCCO3)c2)n1 ZINC000095428558 564140241 /nfs/dbraw/zinc/14/02/41/564140241.db2.gz LWZROLLGCVMLBC-QGZVFWFLSA-N 0 0 332.469 4.149 50 0 EIAARN COc1ccc(C(=O)[C@@H]2CCCN2c2nc3ccccc3s2)cc1 ZINC000095427466 564140251 /nfs/dbraw/zinc/14/02/51/564140251.db2.gz NPJGJUJDIDHNRJ-INIZCTEOSA-N 0 0 338.432 4.157 50 0 EIAARN CC(C)(CCC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000095436001 564140426 /nfs/dbraw/zinc/14/04/26/564140426.db2.gz USIFXYMTSBAUDG-SFHVURJKSA-N 0 0 325.456 4.221 50 0 EIAARN CCOc1ccc(NC(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)cc1 ZINC000095465791 564140986 /nfs/dbraw/zinc/14/09/86/564140986.db2.gz LXPCMRPRQDMANA-WMZOPIPTSA-N 0 0 334.460 4.191 50 0 EIAARN CC(C)Sc1ccccc1NC(=O)N(CCO)C1CCCCC1 ZINC000095467142 564141114 /nfs/dbraw/zinc/14/11/14/564141114.db2.gz DBFBMNGOPXZZEE-UHFFFAOYSA-N 0 0 336.501 4.346 50 0 EIAARN CC(C)n1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 ZINC000095474154 564141369 /nfs/dbraw/zinc/14/13/69/564141369.db2.gz ZGHNSOBBCSFJPA-NRFANRHFSA-N 0 0 348.446 4.436 50 0 EIAARN O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1cccs1)SCC(=O)N2 ZINC000095475263 564141385 /nfs/dbraw/zinc/14/13/85/564141385.db2.gz OGFJKYCTFGJZLN-CQSZACIVSA-N 0 0 349.481 4.167 50 0 EIAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cccnc1 ZINC000095478972 564141508 /nfs/dbraw/zinc/14/15/08/564141508.db2.gz KSISACDMIAGVRF-MRXNPFEDSA-N 0 0 339.826 4.349 50 0 EIAARN O=C(Nc1ccccc1Cl)N1C[C@H]2CCCN2c2ccccc21 ZINC000020985395 564141889 /nfs/dbraw/zinc/14/18/89/564141889.db2.gz IVZOEPUTMZPIAP-CYBMUJFWSA-N 0 0 327.815 4.361 50 0 EIAARN CCOC(=O)Cc1csc(Nc2c(Cl)cccc2Cl)n1 ZINC000095929447 564141921 /nfs/dbraw/zinc/14/19/21/564141921.db2.gz XPCHQPVFTJCABJ-UHFFFAOYSA-N 0 0 331.224 4.299 50 0 EIAARN Cc1ccc([C@H](NC(=O)c2ccc3nc4n(c3c2)CCC4)C2CC2)cc1 ZINC000095950352 564142326 /nfs/dbraw/zinc/14/23/26/564142326.db2.gz MLOSJULWXSXHFJ-NRFANRHFSA-N 0 0 345.446 4.172 50 0 EIAARN Cc1noc(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000095955666 564142479 /nfs/dbraw/zinc/14/24/79/564142479.db2.gz SVTNVXIMBOFZFS-UHFFFAOYSA-N 0 0 337.379 4.050 50 0 EIAARN O=[S@](Cc1csc(CCc2ccccc2)n1)c1ccccc1F ZINC000095964509 564142884 /nfs/dbraw/zinc/14/28/84/564142884.db2.gz IQBSDCXILOPJBT-QHCPKHFHSA-N 0 0 345.464 4.375 50 0 EIAARN Cc1noc(C)c1N(C)C(=O)Nc1c(Cl)cc(C)c2ncccc21 ZINC000095965909 564142959 /nfs/dbraw/zinc/14/29/59/564142959.db2.gz ZIZPNYCAYHQHDW-UHFFFAOYSA-N 0 0 344.802 4.470 50 0 EIAARN COC[C@H](N[C@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000095968161 564143122 /nfs/dbraw/zinc/14/31/22/564143122.db2.gz CZPSIDRYUDOPTP-BZNIZROVSA-N 0 0 342.336 4.278 50 0 EIAARN Cc1nnc([C@@H](C)OC(=O)c2cc(-c3ccccn3)ccc2Cl)o1 ZINC000095974378 564143530 /nfs/dbraw/zinc/14/35/30/564143530.db2.gz LGKSKJAJYCERLU-SNVBAGLBSA-N 0 0 343.770 4.011 50 0 EIAARN Cc1ncc(C(=O)N(CC2CC2)c2cccnc2)c(Cl)c1Cl ZINC000095985577 564143934 /nfs/dbraw/zinc/14/39/34/564143934.db2.gz BWAMAYUEMOUGRI-UHFFFAOYSA-N 0 0 336.222 4.149 50 0 EIAARN Cc1nnc([C@@H](C)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000095987518 564143975 /nfs/dbraw/zinc/14/39/75/564143975.db2.gz UYVPWJHRQILOLQ-OTYXRUKQSA-N 0 0 325.334 4.199 50 0 EIAARN Cc1csc(CN(C)C(=O)c2ccnc(SC(C)(C)C)c2)n1 ZINC000095995216 564144203 /nfs/dbraw/zinc/14/42/03/564144203.db2.gz ZCMLBBCKUMXQBC-UHFFFAOYSA-N 0 0 335.498 4.009 50 0 EIAARN CCNc1ccc(Cl)cc1NC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000095995417 564144264 /nfs/dbraw/zinc/14/42/64/564144264.db2.gz KAHJHYLYWRYPNX-UHFFFAOYSA-N 0 0 349.793 4.122 50 0 EIAARN CN(C)c1ccc(N2CCC(Nc3ccc(F)cc3F)CC2)cc1 ZINC000096006909 564144534 /nfs/dbraw/zinc/14/45/34/564144534.db2.gz HPGHNTLEIUCKJS-UHFFFAOYSA-N 0 0 331.410 4.112 50 0 EIAARN COc1ccc(-c2nc(C)c([C@H](C)NCc3ncc(C)o3)s2)cc1 ZINC000096014107 564144850 /nfs/dbraw/zinc/14/48/50/564144850.db2.gz OIQXPVWNNQDJEX-LBPRGKRZSA-N 0 0 343.452 4.274 50 0 EIAARN CC(C)OC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000096026440 564144925 /nfs/dbraw/zinc/14/49/25/564144925.db2.gz DMDYLVAVEWWUGG-HNNXBMFYSA-N 0 0 330.255 4.472 50 0 EIAARN CC[C@H](C(=O)NCC[C@H](O)c1cc2ccccc2o1)c1ccccc1 ZINC000096097217 564145184 /nfs/dbraw/zinc/14/51/84/564145184.db2.gz OLXIKQTVKQHBEZ-ROUUACIJSA-N 0 0 337.419 4.166 50 0 EIAARN CO[C@@H](CNC(=O)CCSc1ccccc1)c1ccc(C)s1 ZINC000096104707 564145331 /nfs/dbraw/zinc/14/53/31/564145331.db2.gz HAQUOVQQEAMGKT-HNNXBMFYSA-N 0 0 335.494 4.043 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000055525344 564145393 /nfs/dbraw/zinc/14/53/93/564145393.db2.gz AQZPKEMPHCAXLQ-INIZCTEOSA-N 0 0 346.858 4.111 50 0 EIAARN CO[C@@H]1CCCN(c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000096122498 564145600 /nfs/dbraw/zinc/14/56/00/564145600.db2.gz LKXRXDDVIQXSDN-GOSISDBHSA-N 0 0 343.402 4.085 50 0 EIAARN CO[C@](C)(CNC(=O)Nc1ccccc1Cl)c1ccccc1F ZINC000096123661 564145642 /nfs/dbraw/zinc/14/56/42/564145642.db2.gz FIMANMSAAHLNJZ-QGZVFWFLSA-N 0 0 336.794 4.162 50 0 EIAARN Cc1ccc(-c2nnc(-c3ccc(N4CCCCCC4)nc3)o2)cc1 ZINC000096124797 564145709 /nfs/dbraw/zinc/14/57/09/564145709.db2.gz NVMAGHUHQSBWED-UHFFFAOYSA-N 0 0 334.423 4.487 50 0 EIAARN CC(=O)c1ccc(NS(=O)(=O)C=Cc2c(C)cc(C)cc2C)cc1 ZINC000096137090 564145812 /nfs/dbraw/zinc/14/58/12/564145812.db2.gz VAEJIDWNBBLCRK-MDZDMXLPSA-N 0 0 343.448 4.227 50 0 EIAARN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccsc2Cl)C1 ZINC000282039658 564145971 /nfs/dbraw/zinc/14/59/71/564145971.db2.gz UJPOHAAPVTYDTL-WVWOOGAGSA-N 0 0 342.892 4.195 50 0 EIAARN CC(C)[C@H](NC(=O)C1CCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276185 564146253 /nfs/dbraw/zinc/14/62/53/564146253.db2.gz JXBJEYPQWGBRDM-HNNXBMFYSA-N 0 0 347.846 4.394 50 0 EIAARN Cn1cc([C@@H](CC(N)=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000096276477 564146269 /nfs/dbraw/zinc/14/62/69/564146269.db2.gz PYVOBFNVDIKYBC-HNNXBMFYSA-N 0 0 346.352 4.204 50 0 EIAARN CC[C@H](C)[C@@H](NC(=O)C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276197 564146275 /nfs/dbraw/zinc/14/62/75/564146275.db2.gz ABNATTHUQDBFNX-IINYFYTJSA-N 0 0 333.819 4.003 50 0 EIAARN CC(C)[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccccc2)no1 ZINC000096276996 564146282 /nfs/dbraw/zinc/14/62/82/564146282.db2.gz AYKIDINJIVGDLY-INIZCTEOSA-N 0 0 339.370 4.003 50 0 EIAARN CC[C@H](C)[C@H](NC(=O)C1CCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278064 564146303 /nfs/dbraw/zinc/14/63/03/564146303.db2.gz FZVCQJGJQQFPME-NHYWBVRUSA-N 0 0 347.846 4.394 50 0 EIAARN COc1ccccc1C(=O)Nc1ccccc1-c1nc(C(C)C)no1 ZINC000096346575 564146879 /nfs/dbraw/zinc/14/68/79/564146879.db2.gz ULNOKWLROYPLII-UHFFFAOYSA-N 0 0 337.379 4.121 50 0 EIAARN COc1cccc([C@H](CNC(=O)c2cc3ccccc3s2)OC)c1 ZINC000096390133 564147005 /nfs/dbraw/zinc/14/70/05/564147005.db2.gz QMVXFIFZHQYVDX-INIZCTEOSA-N 0 0 341.432 4.027 50 0 EIAARN CC1CCN(c2ncnc3onc(-c4cccc(Cl)c4)c32)CC1 ZINC000021714557 564147058 /nfs/dbraw/zinc/14/70/58/564147058.db2.gz DZFNQGVAHIYERY-UHFFFAOYSA-N 0 0 328.803 4.175 50 0 EIAARN CCCCNC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000096409024 564147527 /nfs/dbraw/zinc/14/75/27/564147527.db2.gz GSFCLMRFFNEFHT-QHCPKHFHSA-N 0 0 336.501 4.190 50 0 EIAARN COc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)c(OC)c1 ZINC000096410587 564147588 /nfs/dbraw/zinc/14/75/88/564147588.db2.gz LNSWVHONQSFEEN-UHFFFAOYSA-N 0 0 344.436 4.087 50 0 EIAARN O=C(CC/C=C/c1ccccc1)N1CCC(OC2CCCC2)CC1 ZINC000096413804 564147675 /nfs/dbraw/zinc/14/76/75/564147675.db2.gz WWDBWYYUPJLUTC-ONNFQVAWSA-N 0 0 327.468 4.430 50 0 EIAARN CCOc1cc(NC(=O)N(C)[C@H](CC)c2ccncc2)ccc1C ZINC000096415899 564147727 /nfs/dbraw/zinc/14/77/27/564147727.db2.gz RJGYGRJUCJRTGC-QGZVFWFLSA-N 0 0 327.428 4.404 50 0 EIAARN CC(C)c1ccc(CC2CCN(C(=O)c3cccc(=O)[nH]3)CC2)cc1 ZINC000283712521 564148950 /nfs/dbraw/zinc/14/89/50/564148950.db2.gz WOBXEHCAYMFJEW-UHFFFAOYSA-N 0 0 338.451 4.006 50 0 EIAARN CN(C(=O)c1ccc2cc[nH]c2c1)[C@H](c1ccccc1)c1ccccn1 ZINC000055419114 564149813 /nfs/dbraw/zinc/14/98/13/564149813.db2.gz HBMLEBXGQLGATR-OAQYLSRUSA-N 0 0 341.414 4.425 50 0 EIAARN C[C@H](O)c1ccc(C2(CNC(=O)c3cccs3)CCCC2)s1 ZINC000225680435 564150227 /nfs/dbraw/zinc/15/02/27/564150227.db2.gz BCDFHYWXDUWIDM-LBPRGKRZSA-N 0 0 335.494 4.105 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000055553157 564150323 /nfs/dbraw/zinc/15/03/23/564150323.db2.gz NXCXNYAAACPMID-UHFFFAOYSA-N 0 0 337.810 4.146 50 0 EIAARN CO[C@H](CNC(=O)CCCc1ccccc1)c1ccc(Cl)s1 ZINC000225701243 564150334 /nfs/dbraw/zinc/15/03/34/564150334.db2.gz DBFGAUHAYLZOKY-CQSZACIVSA-N 0 0 337.872 4.228 50 0 EIAARN CCN(C(=O)c1ccnc(C)c1)[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000225720930 564150410 /nfs/dbraw/zinc/15/04/10/564150410.db2.gz ZXXCEERZVFZFTM-FQEVSTJZSA-N 0 0 349.409 4.176 50 0 EIAARN CCOc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000028237953 564150807 /nfs/dbraw/zinc/15/08/07/564150807.db2.gz GZLGJKCTGKQIMK-UHFFFAOYSA-N 0 0 335.407 4.140 50 0 EIAARN CCOc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2ccsc2)n1 ZINC000055995278 564151055 /nfs/dbraw/zinc/15/10/55/564151055.db2.gz RBQWPIYNFRZFDW-CYBMUJFWSA-N 0 0 336.844 4.173 50 0 EIAARN CCCn1cc(NC(=O)c2ccccc2SC(C)C)ccc1=O ZINC000056079644 564151099 /nfs/dbraw/zinc/15/10/99/564151099.db2.gz CJWFDYMRAVHRKT-UHFFFAOYSA-N 0 0 330.453 4.011 50 0 EIAARN CC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000002625504 564151308 /nfs/dbraw/zinc/15/13/08/564151308.db2.gz SZMGNTPOEGMDAW-UHFFFAOYSA-N 0 0 343.839 4.269 50 0 EIAARN O=C(Nc1cccc(Br)c1)c1cnc(Cl)c(Cl)c1 ZINC000002632678 564151506 /nfs/dbraw/zinc/15/15/06/564151506.db2.gz LYVVEHRXYPXJRS-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN COc1ccccc1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002648677 564151855 /nfs/dbraw/zinc/15/18/55/564151855.db2.gz AWSUWNUUNKNRND-UHFFFAOYSA-N 0 0 339.313 4.165 50 0 EIAARN COc1ccccc1OCCC(=O)Nc1ccc2nc(C)sc2c1 ZINC000002656827 564151987 /nfs/dbraw/zinc/15/19/87/564151987.db2.gz KRFBBQKFEWUWMA-UHFFFAOYSA-N 0 0 342.420 4.021 50 0 EIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1nccs1 ZINC000002658089 564151990 /nfs/dbraw/zinc/15/19/90/564151990.db2.gz YJFQGCGECKRYOI-UHFFFAOYSA-N 0 0 337.198 4.213 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1cc(C)cc(C)c1 ZINC000002698866 564152180 /nfs/dbraw/zinc/15/21/80/564152180.db2.gz CTGITJZTXSCAPP-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN CCCCCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000002721286 564152227 /nfs/dbraw/zinc/15/22/27/564152227.db2.gz DRXZOAOKOWRSQM-UHFFFAOYSA-N 0 0 339.414 4.296 50 0 EIAARN CCCCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 ZINC000002721454 564152285 /nfs/dbraw/zinc/15/22/85/564152285.db2.gz LVDMNKPGFHOINJ-UHFFFAOYSA-N 0 0 335.451 4.199 50 0 EIAARN O=C(COc1ccc2ccccc2c1)NCCc1cccc(Cl)c1 ZINC000002734379 564152347 /nfs/dbraw/zinc/15/23/47/564152347.db2.gz QEAUXBVAKUXDBW-UHFFFAOYSA-N 0 0 339.822 4.231 50 0 EIAARN CCN(C(=O)Nc1nnc(C)s1)[C@H](C)c1cc2ccccc2o1 ZINC000056514209 564152646 /nfs/dbraw/zinc/15/26/46/564152646.db2.gz OFXZJQKPGJTOEV-SNVBAGLBSA-N 0 0 330.413 4.208 50 0 EIAARN CCOc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)ccc1OC(F)F ZINC000002793427 564152682 /nfs/dbraw/zinc/15/26/82/564152682.db2.gz APMYXUXXNRTJJH-TXEJJXNPSA-N 0 0 327.371 4.090 50 0 EIAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000002796370 564152709 /nfs/dbraw/zinc/15/27/09/564152709.db2.gz SBLXYFVOVPGIEC-GFCCVEGCSA-N 0 0 339.361 4.102 50 0 EIAARN COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000002800486 564152745 /nfs/dbraw/zinc/15/27/45/564152745.db2.gz MEKAPUJTOASBGH-UHFFFAOYSA-N 0 0 327.714 4.202 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)NCc2ccc(SC)cc2)cc1 ZINC000056657545 564152859 /nfs/dbraw/zinc/15/28/59/564152859.db2.gz VJYYTDDJZQWVPM-UHFFFAOYSA-N 0 0 343.452 4.079 50 0 EIAARN Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)Cc2ccc(O)cc2)c1 ZINC000056771212 564152983 /nfs/dbraw/zinc/15/29/83/564152983.db2.gz CXGZNKKMPTUPET-OXQOHEQNSA-N 0 0 338.451 4.178 50 0 EIAARN CC(=O)c1cc(-c2ccccc2)n(CC(=O)NC2CCCCC2)c1C ZINC000002929569 564153114 /nfs/dbraw/zinc/15/31/14/564153114.db2.gz BPANUONLBCBVKR-UHFFFAOYSA-N 0 0 338.451 4.115 50 0 EIAARN O=C(COC1CCCCC1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057131037 564153279 /nfs/dbraw/zinc/15/32/79/564153279.db2.gz MRBDVMDGOHTACP-UHFFFAOYSA-N 0 0 346.858 4.055 50 0 EIAARN CC[C@@H](C)N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000057142914 564153293 /nfs/dbraw/zinc/15/32/93/564153293.db2.gz WGBOXHUGMHGKEO-CQSZACIVSA-N 0 0 335.403 4.410 50 0 biogenic EIAARN CCCN1COc2ccc3c(=O)c(-c4ccccc4F)coc3c2C1 ZINC000057176048 564153355 /nfs/dbraw/zinc/15/33/55/564153355.db2.gz WLZJEFLXQKSLPZ-UHFFFAOYSA-N 0 0 339.366 4.161 50 0 EIAARN COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1Cl ZINC000029408322 564153403 /nfs/dbraw/zinc/15/34/03/564153403.db2.gz INVDIDBPNYGGOO-ZDUSSCGKSA-N 0 0 332.831 4.405 50 0 EIAARN CCCCC(=O)Nc1ccccc1-c1nc2cc(C)c(C)cc2[nH]c1=O ZINC000002950632 564153734 /nfs/dbraw/zinc/15/37/34/564153734.db2.gz UBJNWOMOSUWFIW-UHFFFAOYSA-N 0 0 349.434 4.336 50 0 EIAARN O=C(CCSCc1cccc(Cl)c1)NCCc1ccccc1 ZINC000002954081 564153763 /nfs/dbraw/zinc/15/37/63/564153763.db2.gz RURXCDAXKWUNCM-UHFFFAOYSA-N 0 0 333.884 4.322 50 0 EIAARN O=C(CCSCc1cccc(Cl)c1)NCc1cccs1 ZINC000002953844 564153764 /nfs/dbraw/zinc/15/37/64/564153764.db2.gz OSFKDRKFZPIEEH-UHFFFAOYSA-N 0 0 325.886 4.341 50 0 EIAARN Cc1cccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000057413465 564154165 /nfs/dbraw/zinc/15/41/65/564154165.db2.gz NTLZSSSRZBGCJT-UHFFFAOYSA-N 0 0 339.826 4.011 50 0 EIAARN Cc1cccc(CNC(=O)c2cc(-c3ccc(C(C)C)cc3)n[nH]2)c1 ZINC000057413665 564154199 /nfs/dbraw/zinc/15/41/99/564154199.db2.gz AGKBQZBQURUGBH-UHFFFAOYSA-N 0 0 333.435 4.439 50 0 EIAARN CC(C)(C)c1csc(NC(=O)c2cc(-c3ccccc3F)on2)n1 ZINC000030039203 564155299 /nfs/dbraw/zinc/15/52/99/564155299.db2.gz QWHAZLCDNFSTRL-UHFFFAOYSA-N 0 0 345.399 4.487 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1ccccc1F ZINC000003134758 564155430 /nfs/dbraw/zinc/15/54/30/564155430.db2.gz PALSADFTONHLEM-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN CCn1c2ccccc2nc1SCc1nccn1CC(F)(F)F ZINC000057741963 564155563 /nfs/dbraw/zinc/15/55/63/564155563.db2.gz YDRNFRVPPPFWFF-UHFFFAOYSA-N 0 0 340.374 4.107 50 0 EIAARN COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000003194056 564155848 /nfs/dbraw/zinc/15/58/48/564155848.db2.gz ZQYAZAYPFANIJH-UHFFFAOYSA-N 0 0 332.812 4.140 50 0 EIAARN O=C(COC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000003229303 564156322 /nfs/dbraw/zinc/15/63/22/564156322.db2.gz ISJQFGDWMGPCRE-UHFFFAOYSA-N 0 0 344.581 4.082 50 0 EIAARN CCc1ccc(NC(=O)[C@H](C)Sc2ncnc3ccccc32)cc1 ZINC000003245834 564156562 /nfs/dbraw/zinc/15/65/62/564156562.db2.gz PVTIAUFXFPBHAD-ZDUSSCGKSA-N 0 0 337.448 4.312 50 0 EIAARN Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(C)c1Cl ZINC000003278234 564156883 /nfs/dbraw/zinc/15/68/83/564156883.db2.gz XCROSQGZPQHWPE-UHFFFAOYSA-N 0 0 339.251 4.340 50 0 EIAARN O=C(Nc1ccccc1Cc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000003292680 564157088 /nfs/dbraw/zinc/15/70/88/564157088.db2.gz YOAWZACDSSBTPW-OAQYLSRUSA-N 0 0 345.398 4.056 50 0 EIAARN COc1ccc(C(C)=O)cc1COC(=O)c1oc2ccccc2c1C ZINC000003294835 564157137 /nfs/dbraw/zinc/15/71/37/564157137.db2.gz LZETZFPLYUZDGH-UHFFFAOYSA-N 0 0 338.359 4.309 50 0 EIAARN O=C(COC(=O)c1cccnc1Cl)c1ccc(Cl)cc1Cl ZINC000003315802 564157291 /nfs/dbraw/zinc/15/72/91/564157291.db2.gz YFCULZVKMYBZLJ-UHFFFAOYSA-N 0 0 344.581 4.082 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)c2ccccc2OC)s1 ZINC000003322423 564157336 /nfs/dbraw/zinc/15/73/36/564157336.db2.gz OPWNWHFGQUWACA-UHFFFAOYSA-N 0 0 344.461 4.237 50 0 EIAARN CSc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1 ZINC000003323076 564157340 /nfs/dbraw/zinc/15/73/40/564157340.db2.gz RMWBZNPOSGFWDU-UHFFFAOYSA-N 0 0 334.872 4.132 50 0 EIAARN CCCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC ZINC000003330896 564157412 /nfs/dbraw/zinc/15/74/12/564157412.db2.gz UKRLRTIJMNEKKN-UHFFFAOYSA-N 0 0 339.313 4.154 50 0 EIAARN Cc1cc(C)c(C(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1C ZINC000003392979 564157894 /nfs/dbraw/zinc/15/78/94/564157894.db2.gz SUARGKLMDUYCHV-UHFFFAOYSA-N 0 0 335.403 4.062 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(OC)cc1 ZINC000003392458 564157898 /nfs/dbraw/zinc/15/78/98/564157898.db2.gz SQWMEZOEQKVFEU-CQSZACIVSA-N 0 0 341.407 4.004 50 0 EIAARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1c(Cl)cccc1Cl ZINC000003397915 564157917 /nfs/dbraw/zinc/15/79/17/564157917.db2.gz JCLGEDITBPVMED-LLVKDONJSA-N 0 0 335.234 4.383 50 0 EIAARN COc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000030840582 564157930 /nfs/dbraw/zinc/15/79/30/564157930.db2.gz CJVRIUAJBJOLPT-OXJNMPFZSA-N 0 0 339.435 4.135 50 0 EIAARN Cc1cc(NC(=O)c2c(F)cccc2F)ccc1Br ZINC000003408113 564157990 /nfs/dbraw/zinc/15/79/90/564157990.db2.gz YGBYAPDYEBQFIJ-UHFFFAOYSA-N 0 0 326.140 4.288 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000003438565 564158142 /nfs/dbraw/zinc/15/81/42/564158142.db2.gz IAGQHPIXEPRIDM-UHFFFAOYSA-N 0 0 328.799 4.320 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)COc2ccc(NC(C)=O)cc2)cc1 ZINC000003447441 564158179 /nfs/dbraw/zinc/15/81/79/564158179.db2.gz ZRYCTYBFDLDVQL-AWEZNQCLSA-N 0 0 340.423 4.176 50 0 EIAARN Cc1cc(Cl)ccc1-n1nc(C2CC2)nc1CCc1ccncc1 ZINC000670444660 564158194 /nfs/dbraw/zinc/15/81/94/564158194.db2.gz ISZHGOIICJPZCV-UHFFFAOYSA-N 0 0 338.842 4.287 50 0 EIAARN C[C@@]1(C(=O)OCC(=O)c2ccc3ccccc3c2)CC1(Cl)Cl ZINC000003502002 564158556 /nfs/dbraw/zinc/15/85/56/564158556.db2.gz QAGUSRBIQUJFMG-INIZCTEOSA-N 0 0 337.202 4.150 50 0 EIAARN O=c1ccc2ccc(OCc3ccc(Br)cc3)cc2o1 ZINC000003512326 564158599 /nfs/dbraw/zinc/15/85/99/564158599.db2.gz XBQHFKZKJXERFF-UHFFFAOYSA-N 0 0 331.165 4.135 50 0 biogenic EIAARN O=C(Cc1ccc(Br)cc1)Nc1ccc(F)c(F)c1F ZINC000003534024 564158854 /nfs/dbraw/zinc/15/88/54/564158854.db2.gz YUKRISSLJQALST-UHFFFAOYSA-N 0 0 344.130 4.048 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000003548545 564158874 /nfs/dbraw/zinc/15/88/74/564158874.db2.gz VBSLLIXQMXNQTN-LJQANCHMSA-N 0 0 339.435 4.368 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1Cl ZINC000003548922 564158877 /nfs/dbraw/zinc/15/88/77/564158877.db2.gz SLDSEGNKAYTZJJ-QGZVFWFLSA-N 0 0 345.826 4.459 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000003553806 564158896 /nfs/dbraw/zinc/15/88/96/564158896.db2.gz WRJFUILRWIVOSL-UHFFFAOYSA-N 0 0 337.206 4.133 50 0 EIAARN CCc1ccccc1NC(=S)N(CCc1ccncc1)C(C)C ZINC000003588365 564159060 /nfs/dbraw/zinc/15/90/60/564159060.db2.gz PHNVRPCBZUZNJP-UHFFFAOYSA-N 0 0 327.497 4.294 50 0 EIAARN CC(C)N(C(=O)Nc1ccc(F)c(Cl)c1)C1=NC[C@H](C)S1 ZINC000004016196 564160027 /nfs/dbraw/zinc/16/00/27/564160027.db2.gz DDFPKRRURYYPNA-VIFPVBQESA-N 0 0 329.828 4.213 50 0 EIAARN CC(C)N(C(=O)Nc1ccc(F)c(Cl)c1)C1=NC[C@@H](C)S1 ZINC000004016195 564160033 /nfs/dbraw/zinc/16/00/33/564160033.db2.gz DDFPKRRURYYPNA-SECBINFHSA-N 0 0 329.828 4.213 50 0 EIAARN CCCCC(=O)Nc1nc(-c2ccccc2)c(C(=O)OCC)s1 ZINC000004031735 564160173 /nfs/dbraw/zinc/16/01/73/564160173.db2.gz PHSDYSXDYPGUPM-UHFFFAOYSA-N 0 0 332.425 4.116 50 0 EIAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](N)(=O)c1ccc(N(C)C)cc1 ZINC000004063955 564160292 /nfs/dbraw/zinc/16/02/92/564160292.db2.gz OOJHUUWPPUDIFV-LLSUNZGQSA-N 0 0 338.432 4.007 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1OC ZINC000004070493 564160317 /nfs/dbraw/zinc/16/03/17/564160317.db2.gz AOJFDCFSWRVIAL-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000004073907 564160358 /nfs/dbraw/zinc/16/03/58/564160358.db2.gz UJVLDDZCTMKXJK-HTCYUXSBSA-N 0 0 340.463 4.370 50 0 EIAARN C[C@]12CC[C@@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000004081423 564160411 /nfs/dbraw/zinc/16/04/11/564160411.db2.gz UITNBJRZYAEYLY-BQIMLZQESA-N 0 0 344.495 4.386 50 0 biogenic EIAARN CCCSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000004086672 564160460 /nfs/dbraw/zinc/16/04/60/564160460.db2.gz YBOPWXGKWOAPNS-UHFFFAOYSA-N 0 0 337.514 4.195 50 0 EIAARN O=C(Oc1ccc([C@H]2Nc3ccccc3C(=O)N2)cc1)c1ccccc1 ZINC000004108241 564160603 /nfs/dbraw/zinc/16/06/03/564160603.db2.gz DOHMPVBIDCOVAA-IBGZPJMESA-N 0 0 344.370 4.335 50 0 EIAARN O=C(c1ccccc1Cl)N1CCN=C1SCc1ccc(F)cc1 ZINC000004119944 564160696 /nfs/dbraw/zinc/16/06/96/564160696.db2.gz KSUJKCPSEZDXMI-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCN=C1SCc1ccccc1Cl ZINC000004120274 564160708 /nfs/dbraw/zinc/16/07/08/564160708.db2.gz QOFBRUKAXNEZBD-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN Cc1ccc(CSC2=NCCN2C(=O)c2cc(C)cc(C)c2)cc1 ZINC000004120354 564160722 /nfs/dbraw/zinc/16/07/22/564160722.db2.gz XDRNEDYJJRVJBK-UHFFFAOYSA-N 0 0 338.476 4.357 50 0 EIAARN O=C(c1ccccc1)N1CCN=C1SCc1ccccc1Cl ZINC000004120252 564160723 /nfs/dbraw/zinc/16/07/23/564160723.db2.gz YUEMQMCRHDXOMU-UHFFFAOYSA-N 0 0 330.840 4.085 50 0 EIAARN CC(=O)N(CCC(C)(C)Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000032124162 564160919 /nfs/dbraw/zinc/16/09/19/564160919.db2.gz WLCTXZBTLSUXCA-LJQANCHMSA-N 0 0 331.500 4.452 50 0 biogenic EIAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1F ZINC000004223979 564161155 /nfs/dbraw/zinc/16/11/55/564161155.db2.gz BZXIULJDEBIFQD-UHFFFAOYSA-N 0 0 326.352 4.094 50 0 EIAARN Cc1cc2ncn([C@H](C)c3nc([C@@H]4CCOC4)cs3)c2cc1C ZINC000357726657 564161167 /nfs/dbraw/zinc/16/11/67/564161167.db2.gz HHWFARGNZSVECN-ZIAGYGMSSA-N 0 0 327.453 4.223 50 0 EIAARN C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1 ZINC000004242719 564161242 /nfs/dbraw/zinc/16/12/42/564161242.db2.gz LIIKEGYZEZWZEQ-MRVPVSSYSA-N 0 0 344.219 4.239 50 0 EIAARN O=C(Nc1ccccc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000004248106 564161292 /nfs/dbraw/zinc/16/12/92/564161292.db2.gz XKZPLYGSIUAMQJ-HXUWFJFHSA-N 0 0 343.382 4.393 50 0 EIAARN C[N@H+](Cc1cccc(C(=O)[O-])c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000263397788 564161466 /nfs/dbraw/zinc/16/14/66/564161466.db2.gz HDNJNNHQUTUYGW-OALUTQOASA-N 0 0 339.435 4.063 50 0 EIAARN CCOc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1OC ZINC000007975688 564161591 /nfs/dbraw/zinc/16/15/91/564161591.db2.gz RBITULNYCVXAOI-UHFFFAOYSA-N 0 0 343.423 4.200 50 0 EIAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 ZINC000004305515 564161592 /nfs/dbraw/zinc/16/15/92/564161592.db2.gz VLOKMONUPUXPIS-LJQANCHMSA-N 0 0 348.471 4.282 50 0 EIAARN Cc1ccc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)c1 ZINC000004313470 564161641 /nfs/dbraw/zinc/16/16/41/564161641.db2.gz IPFGWOXRLIPINB-UHFFFAOYSA-N 0 0 343.732 4.020 50 0 EIAARN Cc1noc(C)c1C(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 ZINC000007980112 564161691 /nfs/dbraw/zinc/16/16/91/564161691.db2.gz XVYMQOBNPZLZJT-SECBINFHSA-N 0 0 349.843 4.083 50 0 EIAARN CCCc1nnc(NC(=O)c2sc(-c3ccccc3)nc2C)s1 ZINC000007996126 564162047 /nfs/dbraw/zinc/16/20/47/564162047.db2.gz OCBBUPRKXXYFFJ-UHFFFAOYSA-N 0 0 344.465 4.175 50 0 EIAARN CC(C)[C@@H](NC(=O)CCc1cccs1)c1nc2ccccc2[nH]1 ZINC000008013531 564162154 /nfs/dbraw/zinc/16/21/54/564162154.db2.gz OBVJFWRYOCCIRG-QGZVFWFLSA-N 0 0 327.453 4.071 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccccn3)ccc2c1 ZINC000008025280 564162235 /nfs/dbraw/zinc/16/22/35/564162235.db2.gz KBJNKRHRVKXZKK-GJZGRUSLSA-N 0 0 334.419 4.224 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000263498813 564162264 /nfs/dbraw/zinc/16/22/64/564162264.db2.gz KHHRUFCKGUPURP-OLMNPRSZSA-N 0 0 343.398 4.303 50 0 EIAARN Fc1ccc(-c2cc3ncnc(NC[C@H]4CCCO4)c3s2)cc1 ZINC000008039379 564162332 /nfs/dbraw/zinc/16/23/32/564162332.db2.gz PGXZCIJZSWVXAX-CYBMUJFWSA-N 0 0 329.400 4.088 50 0 EIAARN Fc1ccc(-c2cc3ncnc(NC[C@@H]4CCCO4)c3s2)cc1 ZINC000008039377 564162341 /nfs/dbraw/zinc/16/23/41/564162341.db2.gz PGXZCIJZSWVXAX-ZDUSSCGKSA-N 0 0 329.400 4.088 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000008073877 564162526 /nfs/dbraw/zinc/16/25/26/564162526.db2.gz DDXKQXVKIDRQBV-NSHDSACASA-N 0 0 342.345 4.419 50 0 EIAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(Cl)nc1 ZINC000008071956 564162536 /nfs/dbraw/zinc/16/25/36/564162536.db2.gz YSQVQXMNVSEFHM-SFHVURJKSA-N 0 0 336.822 4.449 50 0 EIAARN Fc1ccc(-c2csc3ncnc(NC[C@@H]4CCCO4)c23)cc1 ZINC000008079112 564162602 /nfs/dbraw/zinc/16/26/02/564162602.db2.gz QKSMYGGENJBYJW-ZDUSSCGKSA-N 0 0 329.400 4.088 50 0 EIAARN Fc1ccc(-c2csc3ncnc(NC[C@H]4CCCO4)c23)cc1 ZINC000008079119 564162631 /nfs/dbraw/zinc/16/26/31/564162631.db2.gz QKSMYGGENJBYJW-CYBMUJFWSA-N 0 0 329.400 4.088 50 0 EIAARN Cc1nc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2o1 ZINC000008109940 564162713 /nfs/dbraw/zinc/16/27/13/564162713.db2.gz ZSYGPFANBFBEEP-UHFFFAOYSA-N 0 0 344.436 4.171 50 0 EIAARN O=C(COc1ccccc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008115141 564162760 /nfs/dbraw/zinc/16/27/60/564162760.db2.gz FVIAYDUSWATMOW-OAQYLSRUSA-N 0 0 349.455 4.301 50 0 EIAARN COc1ccc2c(CNc3ccc(OC)c(Cl)c3)cc(=O)oc2c1 ZINC000008131297 564162974 /nfs/dbraw/zinc/16/29/74/564162974.db2.gz UNINKEMZQKROBU-UHFFFAOYSA-N 0 0 345.782 4.076 50 0 EIAARN Cc1ccc(OCc2cn3cccc(C)c3n2)c(Br)c1 ZINC000008135716 564163133 /nfs/dbraw/zinc/16/31/33/564163133.db2.gz QJUXWLZPTGVMCL-UHFFFAOYSA-N 0 0 331.213 4.293 50 0 EIAARN CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000008184037 564163364 /nfs/dbraw/zinc/16/33/64/564163364.db2.gz LQLCPKOLMCXJDW-HNNXBMFYSA-N 0 0 328.481 4.176 50 0 EIAARN O=C1N[C@H](c2ccc(-c3nc4ccccc4s3)o2)Nc2ccccc21 ZINC000008191744 564163466 /nfs/dbraw/zinc/16/34/66/564163466.db2.gz KDWABMLWHJRGDU-QGZVFWFLSA-N 0 0 347.399 4.410 50 0 EIAARN Cc1cc(Br)ccc1SCC(=O)NC1CCCCC1 ZINC000008202685 564163552 /nfs/dbraw/zinc/16/35/52/564163552.db2.gz KAQJMVNNBVLOQD-UHFFFAOYSA-N 0 0 342.302 4.299 50 0 EIAARN COc1ccccc1-c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000008209376 564163560 /nfs/dbraw/zinc/16/35/60/564163560.db2.gz OMLUBUZIMDOINB-UHFFFAOYSA-N 0 0 336.416 4.370 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)CCC2 ZINC000008240994 564163793 /nfs/dbraw/zinc/16/37/93/564163793.db2.gz MCEILQXYSSRTOE-UHFFFAOYSA-N 0 0 345.446 4.289 50 0 EIAARN COc1ccc(CNC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000008277157 564163962 /nfs/dbraw/zinc/16/39/62/564163962.db2.gz DDXAXUOWKPSVGS-UHFFFAOYSA-N 0 0 325.339 4.024 50 0 EIAARN CSc1ccccc1NC(=O)CN1CCC[C@H]1c1cccs1 ZINC000008320553 564164330 /nfs/dbraw/zinc/16/43/30/564164330.db2.gz PXUYXISESHQLFV-AWEZNQCLSA-N 0 0 332.494 4.246 50 0 EIAARN CC[C@@H](NS(=O)(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000008326976 564164431 /nfs/dbraw/zinc/16/44/31/564164431.db2.gz OOFWSWYJHGPRPA-UZZMVUAXSA-N 0 0 339.526 4.021 50 0 EIAARN C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000008328012 564164492 /nfs/dbraw/zinc/16/44/92/564164492.db2.gz WMWYZMLROOAAOI-MRXNPFEDSA-N 0 0 337.444 4.393 50 0 EIAARN Cc1ccc(CNC(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000008330621 564164530 /nfs/dbraw/zinc/16/45/30/564164530.db2.gz LNVUAVUGJPOXQS-UHFFFAOYSA-N 0 0 328.462 4.039 50 0 EIAARN COC(=O)c1cc(Nc2ccc(C)c(F)c2)c2cccc(F)c2n1 ZINC000038486940 564164893 /nfs/dbraw/zinc/16/48/93/564164893.db2.gz QVOFYXWTWKMBHK-UHFFFAOYSA-N 0 0 328.318 4.352 50 0 EIAARN FC(F)(F)c1nc2ccccc2c(Nc2ccc3n[nH]cc3c2)n1 ZINC000008393088 564165029 /nfs/dbraw/zinc/16/50/29/564165029.db2.gz JIRMRDMGGVVXBO-UHFFFAOYSA-N 0 0 329.285 4.269 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)N[C@@H]2CCCC[C@@H]2C)s1 ZINC000008394800 564165047 /nfs/dbraw/zinc/16/50/47/564165047.db2.gz FQJQYDOCFNTAKD-SMDDNHRTSA-N 0 0 349.525 4.041 50 0 EIAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2O)cc1 ZINC000008404708 564165163 /nfs/dbraw/zinc/16/51/63/564165163.db2.gz OMMBTUQVXULKMJ-UHFFFAOYSA-N 0 0 327.424 4.487 50 0 EIAARN CC(C)(C)C(=O)NCc1ccc(-c2csc(N3CCCC3)n2)s1 ZINC000008429449 564165255 /nfs/dbraw/zinc/16/52/55/564165255.db2.gz XUYXMIIKCUWQAD-UHFFFAOYSA-N 0 0 349.525 4.134 50 0 EIAARN CC(C)Cn1c(SCCc2ccccc2)nc2ccccc2c1=O ZINC000067258724 564165439 /nfs/dbraw/zinc/16/54/39/564165439.db2.gz XAERIKYEGKZFDU-UHFFFAOYSA-N 0 0 338.476 4.387 50 0 EIAARN O=C(Nc1n[nH]c(-c2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000008518783 564165523 /nfs/dbraw/zinc/16/55/23/564165523.db2.gz IIKJEYRSTIQFFM-UHFFFAOYSA-N 0 0 348.193 4.423 50 0 EIAARN CCc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)[nH]n2)cc1 ZINC000038704119 564165538 /nfs/dbraw/zinc/16/55/38/564165538.db2.gz CLDGNEIKUTURHE-UHFFFAOYSA-N 0 0 335.407 4.214 50 0 EIAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nccs2)CC1 ZINC000377510570 564165685 /nfs/dbraw/zinc/16/56/85/564165685.db2.gz JWPJWXXTIMMONQ-UHFFFAOYSA-N 0 0 340.370 4.182 50 0 EIAARN COc1ccc2oc(C=CC(=O)Nc3cccc(C(C)=O)c3)cc2c1 ZINC000067339528 564165698 /nfs/dbraw/zinc/16/56/98/564165698.db2.gz SEMUDFVKMKNPRD-VQHVLOKHSA-N 0 0 335.359 4.296 50 0 EIAARN CCOc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 ZINC000067339547 564165712 /nfs/dbraw/zinc/16/57/12/564165712.db2.gz WPEJRNODTMPALX-PKNBQFBNSA-N 0 0 337.375 4.492 50 0 EIAARN Cc1[nH]c2ccccc2c(=O)c1SC(F)(F)[C@H](F)C(F)(F)F ZINC000008578270 564165787 /nfs/dbraw/zinc/16/57/87/564165787.db2.gz YPVDGOLAQRWMKP-LLVKDONJSA-N 0 0 341.276 4.422 50 0 EIAARN COc1ccc2oc(C(=O)OCc3nc4ccccc4o3)c(C)c2c1 ZINC000008572812 564165798 /nfs/dbraw/zinc/16/57/98/564165798.db2.gz GREVAJUVKBNGOK-UHFFFAOYSA-N 0 0 337.331 4.248 50 0 EIAARN CCc1ccccc1NS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000008600768 564165990 /nfs/dbraw/zinc/16/59/90/564165990.db2.gz LUVFKWYHKDCVOR-UHFFFAOYSA-N 0 0 342.420 4.013 50 0 EIAARN O=C(COCC(F)(F)F)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000067494683 564166051 /nfs/dbraw/zinc/16/60/51/564166051.db2.gz JCDASBFLYNZVSM-UHFFFAOYSA-N 0 0 345.267 4.149 50 0 EIAARN Cc1ccc(C)c(CNC(=O)c2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000008611724 564166070 /nfs/dbraw/zinc/16/60/70/564166070.db2.gz BUVXSHBAOBWPTA-UHFFFAOYSA-N 0 0 347.462 4.310 50 0 EIAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccccc1 ZINC000008654809 564166214 /nfs/dbraw/zinc/16/62/14/564166214.db2.gz YSFYAZLRBBJYQC-IBGZPJMESA-N 0 0 342.870 4.297 50 0 EIAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccccc1 ZINC000008683899 564166319 /nfs/dbraw/zinc/16/63/19/564166319.db2.gz MKCQOXPXPBUMGV-UHFFFAOYSA-N 0 0 339.420 4.154 50 0 EIAARN Cc1nc2cc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)ccc2o1 ZINC000008706794 564166499 /nfs/dbraw/zinc/16/64/99/564166499.db2.gz ZUVBCHMVPNHXOP-HXUWFJFHSA-N 0 0 349.434 4.302 50 0 EIAARN Cc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000008707271 564166507 /nfs/dbraw/zinc/16/65/07/564166507.db2.gz DNZWILALOQYGDM-UHFFFAOYSA-N 0 0 344.333 4.279 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1 ZINC000008727388 564167016 /nfs/dbraw/zinc/16/70/16/564167016.db2.gz ZJKOUCBMOABQPS-UHFFFAOYSA-N 0 0 335.359 4.314 50 0 EIAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)c1C ZINC000008782458 564167413 /nfs/dbraw/zinc/16/74/13/564167413.db2.gz QHKMSZUKBOOGJB-UHFFFAOYSA-N 0 0 349.360 4.056 50 0 EIAARN CC(=O)Nc1nc(CN2CCC[C@H]2c2ccc(C)c(C)c2)cs1 ZINC000068301039 564167580 /nfs/dbraw/zinc/16/75/80/564167580.db2.gz AOBYDZHYEZRUIC-KRWDZBQOSA-N 0 0 329.469 4.055 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)NC(=S)Nc2ccc(Cl)cc2)C1(C)C ZINC000039931334 564167703 /nfs/dbraw/zinc/16/77/03/564167703.db2.gz DTPZUYKZRIGJEH-ZIAGYGMSSA-N 0 0 336.888 4.391 50 0 EIAARN CSc1ccsc1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000172808686 564167769 /nfs/dbraw/zinc/16/77/69/564167769.db2.gz WDHLUUPGHPYMCP-OAHLLOKOSA-N 0 0 347.505 4.149 50 0 EIAARN Cc1cc2ncn(CC(=O)N(C)Cc3ccc(Cl)s3)c2cc1C ZINC000040009959 564167798 /nfs/dbraw/zinc/16/77/98/564167798.db2.gz JMCRGLMTMWKQHL-UHFFFAOYSA-N 0 0 347.871 4.027 50 0 EIAARN O=C(NCC(F)(F)F)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000040062213 564167878 /nfs/dbraw/zinc/16/78/78/564167878.db2.gz VVUIEJHCCXJBGX-MNOVXSKESA-N 0 0 340.370 4.025 50 0 EIAARN CC(C)c1c(C(=O)NCCC2=CCCCC2)cnn1-c1ccccn1 ZINC000040088749 564167943 /nfs/dbraw/zinc/16/79/43/564167943.db2.gz XMIDGUNHPPLCFM-UHFFFAOYSA-N 0 0 338.455 4.011 50 0 EIAARN CN(Cc1ccco1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000040086477 564167957 /nfs/dbraw/zinc/16/79/57/564167957.db2.gz JUKIDIALPYTNEX-UHFFFAOYSA-N 0 0 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O=C(Nc1ccc(Br)cn1)Oc1ccc(Cl)cc1 ZINC000242498796 243022295 /nfs/dbraw/zinc/02/22/95/243022295.db2.gz BTNOKOKMPOMELE-UHFFFAOYSA-N 0 0 327.565 4.108 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000006477291 201682299 /nfs/dbraw/zinc/68/22/99/201682299.db2.gz GDZRGQLJFFDXRJ-KBPBESRZSA-N 0 0 346.810 4.230 50 0 EIAARN CC(C)CCC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000006628266 201688028 /nfs/dbraw/zinc/68/80/28/201688028.db2.gz ZIWGGQFWIFNRPJ-LLVKDONJSA-N 0 0 338.300 4.487 50 0 EIAARN Cc1ccn2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000006653475 201689227 /nfs/dbraw/zinc/68/92/27/201689227.db2.gz NRBOKRMOXRCPQE-UHFFFAOYSA-N 0 0 335.190 4.307 50 0 EIAARN CC(C)c1cc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)no1 ZINC000244701015 243059797 /nfs/dbraw/zinc/05/97/97/243059797.db2.gz JYKCPZWDOKHNLB-MRXNPFEDSA-N 0 0 328.391 4.151 50 0 EIAARN CCc1ccccc1NC(=O)c1csc(-c2ccc(C)n2C)n1 ZINC000064676561 202815591 /nfs/dbraw/zinc/81/55/91/202815591.db2.gz JYYJQHRWUBQEDF-UHFFFAOYSA-N 0 0 325.437 4.272 50 0 EIAARN Cc1cccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000064667238 202815716 /nfs/dbraw/zinc/81/57/16/202815716.db2.gz FKDNEGDPHRGICM-INIZCTEOSA-N 0 0 337.810 4.308 50 0 EIAARN CN(CCc1ccncc1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000063507630 202807388 /nfs/dbraw/zinc/80/73/88/202807388.db2.gz SMRLXZZSNSTSLR-UHFFFAOYSA-N 0 0 340.430 4.371 50 0 EIAARN Cc1cccc2nc(CNC(=O)[C@H](c3ccccc3)C3CCCC3)cn21 ZINC000244716063 243068154 /nfs/dbraw/zinc/06/81/54/243068154.db2.gz LHRXRFSRLXDBGO-OAQYLSRUSA-N 0 0 347.462 4.233 50 0 EIAARN CCn1cc(-c2ccncc2)cc1C(=O)NCc1cc(C)ccc1C ZINC000065209801 202828941 /nfs/dbraw/zinc/82/89/41/202828941.db2.gz ZZKSPWODANMYOD-UHFFFAOYSA-N 0 0 333.435 4.117 50 0 EIAARN O=C(NC[C@@]1(c2ccccc2)CCCOCC1)c1ccc(Cl)cc1 ZINC000065226092 202829924 /nfs/dbraw/zinc/82/99/24/202829924.db2.gz KXOUVWBQAHRZDY-HXUWFJFHSA-N 0 0 343.854 4.208 50 0 EIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000064984746 202821544 /nfs/dbraw/zinc/82/15/44/202821544.db2.gz 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Cc1noc(Cl)c1CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000069584691 203022451 /nfs/dbraw/zinc/02/24/51/203022451.db2.gz FEHCSPYLOGBXMZ-LLVKDONJSA-N 0 0 332.787 4.145 50 0 EIAARN O=C(C[C@@H]1C=CCC1)N[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000069620296 203027537 /nfs/dbraw/zinc/02/75/37/203027537.db2.gz MCVHUCFCSDFDEN-QVKFZJNVSA-N 0 0 332.403 4.390 50 0 EIAARN C[C@@H](NC(=O)/C=C/c1cccs1)c1nc(-c2cccnc2)cs1 ZINC000069654990 203033480 /nfs/dbraw/zinc/03/34/80/203033480.db2.gz AGXYWEGSPNUFQI-NNNHXZLVSA-N 0 0 341.461 4.157 50 0 EIAARN c1ccc(-c2nnc(SCc3noc(-c4ccccc4)n3)o2)cc1 ZINC000069662190 203035112 /nfs/dbraw/zinc/03/51/12/203035112.db2.gz PBVMAJNZSXKGBA-UHFFFAOYSA-N 0 0 336.376 4.079 50 0 EIAARN Cc1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)c(C)n1-c1cccnc1 ZINC000069465462 203006518 /nfs/dbraw/zinc/00/65/18/203006518.db2.gz VZIWKFCIAVFGMK-HNNXBMFYSA-N 0 0 325.456 4.138 50 0 EIAARN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCCc2occc21 ZINC000069484164 203006610 /nfs/dbraw/zinc/00/66/10/203006610.db2.gz 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/nfs/dbraw/zinc/03/74/91/203037491.db2.gz NSKNFZHBKNRBHZ-CYBMUJFWSA-N 0 0 349.525 4.162 50 0 EIAARN CCCN(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CCCCC1 ZINC000069702553 203037715 /nfs/dbraw/zinc/03/77/15/203037715.db2.gz LUYXRPLYNTYGDS-UHFFFAOYSA-N 0 0 345.443 4.220 50 0 EIAARN Cc1cccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1 ZINC000069709661 203040502 /nfs/dbraw/zinc/04/05/02/203040502.db2.gz CCRSJWFFYRDXIL-UHFFFAOYSA-N 0 0 344.842 4.381 50 0 EIAARN O=C(NCc1ccncc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000069707656 203040951 /nfs/dbraw/zinc/04/09/51/203040951.db2.gz XAKJWEGNSUINRM-LJQANCHMSA-N 0 0 349.459 4.000 50 0 EIAARN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(Cl)s1 ZINC000069726654 203041356 /nfs/dbraw/zinc/04/13/56/203041356.db2.gz ZXNDCDHZSOLXLC-INIZCTEOSA-N 0 0 328.824 4.316 50 0 EIAARN CCCCS[C@H](C)C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000069774017 203047713 /nfs/dbraw/zinc/04/77/13/203047713.db2.gz ZQOVXFKVBOQLFL-QWHCGFSZSA-N 0 0 349.525 4.304 50 0 EIAARN Cc1ccc(N(C(=O)c2cc(C3CC3)no2)C2CCCCC2)nc1 ZINC000252492219 243801475 /nfs/dbraw/zinc/80/14/75/243801475.db2.gz MFVHCBUOLZPIJR-UHFFFAOYSA-N 0 0 325.412 4.235 50 0 EIAARN O=C(NCCCCc1ccc(Cl)s1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000252500234 243821413 /nfs/dbraw/zinc/82/14/13/243821413.db2.gz SPVFYESNXFYTHB-HUUCEWRRSA-N 0 0 334.872 4.039 50 0 EIAARN O=c1[nH]c([C@@H]2CCC(F)(F)C2)nc2ccc(Br)cc12 ZINC000253535082 244007000 /nfs/dbraw/zinc/00/70/00/244007000.db2.gz HROUVFIYQSRMPM-SSDOTTSWSA-N 0 0 329.144 4.001 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1CC(=O)Nc2c1cnn2C(C)C ZINC000071281417 203089551 /nfs/dbraw/zinc/08/95/51/203089551.db2.gz ALWAXHPDWYBNFZ-INIZCTEOSA-N 0 0 349.438 4.390 50 0 EIAARN CC(C)c1nnc(NC(=O)CCn2ccc3ccc(Cl)cc32)s1 ZINC000071282688 203090297 /nfs/dbraw/zinc/09/02/97/203090297.db2.gz CNJHQLQOHRKSIT-UHFFFAOYSA-N 0 0 348.859 4.298 50 0 EIAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000071281776 203090431 /nfs/dbraw/zinc/09/04/31/203090431.db2.gz LRBUSALMRGOGFM-JTQLQIEISA-N 0 0 340.210 4.188 50 0 EIAARN Cc1nc(-c2ccncc2)sc1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000071282661 203090491 /nfs/dbraw/zinc/09/04/91/203090491.db2.gz WIMRUBQATMFTEK-UHFFFAOYSA-N 0 0 349.337 4.183 50 0 EIAARN CC(C)c1cnc(-c2ncccc2F)nc1Nc1ccncc1F ZINC000071289193 203091236 /nfs/dbraw/zinc/09/12/36/203091236.db2.gz QPFQCFMVQQTWIA-UHFFFAOYSA-N 0 0 327.338 4.079 50 0 EIAARN Clc1ccc(-c2cnn3c2nccc3-c2ccc3c(c2)OCO3)cc1 ZINC000071385103 203093246 /nfs/dbraw/zinc/09/32/46/203093246.db2.gz OXHZWVRVIUUFCZ-UHFFFAOYSA-N 0 0 349.777 4.445 50 0 EIAARN CCOc1ccccc1-c1nccn1-c1cccc(N2CCCC2=O)c1 ZINC000071388523 203094078 /nfs/dbraw/zinc/09/40/78/203094078.db2.gz CJJBYHURRAOZDK-UHFFFAOYSA-N 0 0 347.418 4.065 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)n1 ZINC000071771157 203111919 /nfs/dbraw/zinc/11/19/19/203111919.db2.gz HHCDGDYZBBZMGA-HNNXBMFYSA-N 0 0 344.405 4.153 50 0 EIAARN CCOc1ccccc1-c1nccn1Cc1nc(-c2ccccc2)no1 ZINC000071524616 203099071 /nfs/dbraw/zinc/09/90/71/203099071.db2.gz HHRVMVPMNJTHTN-UHFFFAOYSA-N 0 0 346.390 4.047 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)c1O ZINC000071613974 203101274 /nfs/dbraw/zinc/10/12/74/203101274.db2.gz UIFXYDQINCMQOD-MRXNPFEDSA-N 0 0 341.426 4.325 50 0 EIAARN Oc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1Cl ZINC000071614144 203101298 /nfs/dbraw/zinc/10/12/98/203101298.db2.gz QXDJSUYQHRJWDW-QGZVFWFLSA-N 0 0 338.234 4.273 50 0 EIAARN CC(=O)c1c(C)cc(C)c(-c2nccn2CCc2cccnc2)c1C ZINC000071712019 203104231 /nfs/dbraw/zinc/10/42/31/203104231.db2.gz SPKJUBUCPKZCLW-UHFFFAOYSA-N 0 0 333.435 4.316 50 0 EIAARN O=C(c1ccccc1O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071730596 203104447 /nfs/dbraw/zinc/10/44/47/203104447.db2.gz GMPYLIUIBVMGHQ-AWEZNQCLSA-N 0 0 345.389 4.155 50 0 EIAARN Cc1nc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)cs1 ZINC000071748969 203105981 /nfs/dbraw/zinc/10/59/81/203105981.db2.gz KYHQDOACAOJKLP-HNNXBMFYSA-N 0 0 332.444 4.076 50 0 EIAARN O=C(Nc1cccc(-n2cccc2)c1)c1ccncc1C(F)(F)F ZINC000253629984 244042663 /nfs/dbraw/zinc/04/26/63/244042663.db2.gz LJBHYWQIKRVOFW-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN Cc1c(O)cccc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071751934 203107497 /nfs/dbraw/zinc/10/74/97/203107497.db2.gz SPEGPLGOEQVDPJ-MRXNPFEDSA-N 0 0 341.426 4.325 50 0 EIAARN CCc1[nH]c2c(cc(C)cc2CNc2ncnc3onc(C)c32)c1C ZINC000071750888 203107677 /nfs/dbraw/zinc/10/76/77/203107677.db2.gz HWHQHJNEOBVHFQ-UHFFFAOYSA-N 0 0 335.411 4.199 50 0 EIAARN Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2coc(-c3ccccc3)n2)n1 ZINC000071751220 203107833 /nfs/dbraw/zinc/10/78/33/203107833.db2.gz ZKVPVLCBJUKQHS-MRXNPFEDSA-N 0 0 347.422 4.280 50 0 EIAARN O=C(c1cccc(O)c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071759611 203108862 /nfs/dbraw/zinc/10/88/62/203108862.db2.gz PJWJCMJKTABNPD-INIZCTEOSA-N 0 0 327.399 4.016 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3C)C2)cc1O ZINC000071758792 203109296 /nfs/dbraw/zinc/10/92/96/203109296.db2.gz WHLRKYCKQKDSBQ-GOSISDBHSA-N 0 0 337.463 4.494 50 0 EIAARN CC(C)c1cc(Cn2ccnc2-c2coc(-c3ccccc3)n2)on1 ZINC000071762214 203110469 /nfs/dbraw/zinc/11/04/69/203110469.db2.gz 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CC(C)CC(=O)Nc1nc(-c2ccc(Br)s2)ns1 ZINC000072427770 203222039 /nfs/dbraw/zinc/22/20/39/203222039.db2.gz NNCCZXRMQDTVQH-UHFFFAOYSA-N 0 0 346.275 4.014 50 0 EIAARN Cc1nc([C@H]2CCCN2C(=O)OC(C)(C)C)sc1Br ZINC000074941260 203297069 /nfs/dbraw/zinc/29/70/69/203297069.db2.gz JFINFYUCNBCOCQ-SECBINFHSA-N 0 0 347.278 4.286 50 0 EIAARN Cc1nnc(-c2cccc(C(=O)N3CCCCC[C@@H]3CC(C)C)c2)o1 ZINC000073922641 203276582 /nfs/dbraw/zinc/27/65/82/203276582.db2.gz ZGSHSDXPDHGWFA-GOSISDBHSA-N 0 0 341.455 4.476 50 0 EIAARN CCCCn1c(CN2CCCC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000075330289 203312511 /nfs/dbraw/zinc/31/25/11/203312511.db2.gz FIWLKGVSLUSCBU-UHFFFAOYSA-N 0 0 342.487 4.027 50 0 EIAARN COc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+]C1CCCCCCC1 ZINC000075352938 203312664 /nfs/dbraw/zinc/31/26/64/203312664.db2.gz XARSIZNFWRUVIA-UHFFFAOYSA-N 0 0 330.428 4.077 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000075351525 203313115 /nfs/dbraw/zinc/31/31/15/203313115.db2.gz BXDJJWRZVRIORJ-OAHLLOKOSA-N 0 0 346.434 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337.398 4.248 50 0 EIAARN Cc1cccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000006087295 205794249 /nfs/dbraw/zinc/79/42/49/205794249.db2.gz YUSXPODLBDGUJJ-UHFFFAOYSA-N 0 0 349.217 4.091 50 0 EIAARN CC(=O)c1c(C)cc(C)c(Cn2ccc(=O)c3sccc32)c1C ZINC000153497802 205856394 /nfs/dbraw/zinc/85/63/94/205856394.db2.gz MQLAXASXJHLWNM-UHFFFAOYSA-N 0 0 325.433 4.239 50 0 EIAARN CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000007112634 205826831 /nfs/dbraw/zinc/82/68/31/205826831.db2.gz QDFYBHKKEASXAZ-FQEVSTJZSA-N 0 0 348.402 4.445 50 0 EIAARN CC(C)Cc1nnc(-c2cc3ccccc3n2Cc2ccccn2)o1 ZINC000007453400 205835007 /nfs/dbraw/zinc/83/50/07/205835007.db2.gz BIEBLEAWWIMFOY-UHFFFAOYSA-N 0 0 332.407 4.333 50 0 EIAARN O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccncc1 ZINC000007264981 205836715 /nfs/dbraw/zinc/83/67/15/205836715.db2.gz OOYLYDMRUWWHNX-UHFFFAOYSA-N 0 0 337.376 4.258 50 0 EIAARN CC(=O)NCCc1ccc(-c2csc(-c3ccc(C)cc3)n2)cc1 ZINC000008208736 205845616 /nfs/dbraw/zinc/84/56/16/205845616.db2.gz MKVWCEHWKOCPAU-UHFFFAOYSA-N 0 0 336.460 4.464 50 0 EIAARN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000156513811 206081894 /nfs/dbraw/zinc/08/18/94/206081894.db2.gz QNUCZLMIWJTLHR-HZPDHXFCSA-N 0 0 349.459 4.280 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000128875 206208418 /nfs/dbraw/zinc/20/84/18/206208418.db2.gz DUVKOLWEXWCASC-UHFFFAOYSA-N 0 0 338.190 4.422 50 0 EIAARN Cc1ccc(NC(=O)CCOc2ccccc2)c(Br)c1 ZINC000000132994 206208812 /nfs/dbraw/zinc/20/88/12/206208812.db2.gz MCLXEAXCSAMSTM-UHFFFAOYSA-N 0 0 334.213 4.165 50 0 EIAARN COC(=O)c1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000609709 206245558 /nfs/dbraw/zinc/24/55/58/206245558.db2.gz GPCAFIBJZDATBG-UHFFFAOYSA-N 0 0 338.285 4.136 50 0 EIAARN Cc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000000311263 206232151 /nfs/dbraw/zinc/23/21/51/206232151.db2.gz XQCNJHJNIJVHHV-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000000505689 206236693 /nfs/dbraw/zinc/23/66/93/206236693.db2.gz VQMUEINBGKKCTI-CQSZACIVSA-N 0 0 341.407 4.004 50 0 EIAARN O=C(Nc1cccnc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000000541458 206238584 /nfs/dbraw/zinc/23/85/84/206238584.db2.gz NVFKZYJETULGEA-UHFFFAOYSA-N 0 0 342.354 4.107 50 0 EIAARN Cn1c2ccccc2s/c1=N\C(=O)c1cc(Cl)sc1Cl ZINC000100837527 206258612 /nfs/dbraw/zinc/25/86/12/206258612.db2.gz LEHOWWNYBBOPQI-SSZFMOIBSA-N 0 0 343.260 4.349 50 0 EIAARN COc1ccc(C(=O)/N=c2/sc3c(ccc4ccccc34)n2C)cc1 ZINC000100842376 206259130 /nfs/dbraw/zinc/25/91/30/206259130.db2.gz NVCKBQQUGAMPKL-QZQOTICOSA-N 0 0 348.427 4.143 50 0 EIAARN Cc1ccccc1C(=O)/N=c1/sc2c(ccc3ccccc23)n1C ZINC000100842369 206259331 /nfs/dbraw/zinc/25/93/31/206259331.db2.gz DPJKZZMXIYCBKG-QZQOTICOSA-N 0 0 332.428 4.443 50 0 EIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(Cl)c(Cl)c1 ZINC000002650932 206411827 /nfs/dbraw/zinc/41/18/27/206411827.db2.gz HCGUHLMTSOXTRM-UHFFFAOYSA-N 0 0 349.139 4.337 50 0 EIAARN CCc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1 ZINC000006653299 206516617 /nfs/dbraw/zinc/51/66/17/206516617.db2.gz JJYIUKDSSSLBHI-UHFFFAOYSA-N 0 0 334.213 4.272 50 0 EIAARN O=C(CCc1cccs1)Nc1ccc(Cl)cc1-n1cccn1 ZINC000170607450 206586367 /nfs/dbraw/zinc/58/63/67/206586367.db2.gz ZIZKMNOGJASGIQ-UHFFFAOYSA-N 0 0 331.828 4.159 50 0 EIAARN O=C(N[C@H]1CCCOc2ccccc21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626926 206591534 /nfs/dbraw/zinc/59/15/34/206591534.db2.gz ZPXKPVZRUPWLKM-RXVVDRJESA-N 0 0 340.467 4.432 50 0 EIAARN CCn1ccnc1[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000091440214 218006185 /nfs/dbraw/zinc/00/61/85/218006185.db2.gz UCXDBPJPDMIGON-IBGZPJMESA-N 0 0 339.483 4.022 50 0 EIAARN CC(C)n1ccnc1C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000091585920 218024372 /nfs/dbraw/zinc/02/43/72/218024372.db2.gz AROYSDLLDCEMDJ-UHFFFAOYSA-N 0 0 337.876 4.199 50 0 EIAARN CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1 ZINC000011694399 211236556 /nfs/dbraw/zinc/23/65/56/211236556.db2.gz ORGSSGMCGVHDJL-UHFFFAOYSA-N 0 0 339.370 4.053 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3C)s2)cs1 ZINC000010105326 211149195 /nfs/dbraw/zinc/14/91/95/211149195.db2.gz QEAIBAHERYRTNP-UHFFFAOYSA-N 0 0 328.462 4.418 50 0 EIAARN CC(C)c1cc(NC(=O)N(Cc2ccco2)Cc2cccnc2)no1 ZINC000093262852 218208854 /nfs/dbraw/zinc/20/88/54/218208854.db2.gz IYBMLFDEPZZOJL-UHFFFAOYSA-N 0 0 340.383 4.020 50 0 EIAARN CCCOc1ccc(CNc2cc(C(=O)NCC)ccc2C)cc1 ZINC000095350770 218284454 /nfs/dbraw/zinc/28/44/54/218284454.db2.gz SKXCAUNYLRFPKS-UHFFFAOYSA-N 0 0 326.440 4.146 50 0 EIAARN COc1ccccc1OCc1ccccc1NCc1cscn1 ZINC000095428686 218370632 /nfs/dbraw/zinc/37/06/32/218370632.db2.gz HVDCOOXUMWZVQX-UHFFFAOYSA-N 0 0 326.421 4.343 50 0 EIAARN O=S(=O)(Cc1ccccc1)Cc1cccc(NCc2ccoc2)c1 ZINC000095429216 218372108 /nfs/dbraw/zinc/37/21/08/218372108.db2.gz OTBFSSKGZHLMKK-UHFFFAOYSA-N 0 0 341.432 4.007 50 0 EIAARN Cc1nc(C)c(C(=O)N[C@H](CC(F)(F)F)c2ccc(Cl)cc2)o1 ZINC000095449928 218394054 /nfs/dbraw/zinc/39/40/54/218394054.db2.gz WMXLUXMNABVBSK-GFCCVEGCSA-N 0 0 346.736 4.368 50 0 EIAARN Cc1nc(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cs1 ZINC000007995603 210879016 /nfs/dbraw/zinc/87/90/16/210879016.db2.gz YXMWTSWPMWMJAS-UHFFFAOYSA-N 0 0 343.477 4.373 50 0 EIAARN CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000011903308 207017173 /nfs/dbraw/zinc/01/71/73/207017173.db2.gz DGVCKNFXEMPJDG-CQSZACIVSA-N 0 0 335.860 4.256 50 0 EIAARN CC[C@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000011903310 207017401 /nfs/dbraw/zinc/01/74/01/207017401.db2.gz DGVCKNFXEMPJDG-AWEZNQCLSA-N 0 0 335.860 4.256 50 0 EIAARN Cc1cccc(CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1 ZINC000011905597 207019998 /nfs/dbraw/zinc/01/99/98/207019998.db2.gz AJCUXCPFGOIDDI-UHFFFAOYSA-N 0 0 336.460 4.270 50 0 EIAARN Cc1nc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)sc1C ZINC000011907381 207020336 /nfs/dbraw/zinc/02/03/36/207020336.db2.gz REQUOLXWPKHQJD-LBPRGKRZSA-N 0 0 343.477 4.427 50 0 EIAARN Cc1cccc2c(C)cc(SCC(=O)Nc3nccs3)nc12 ZINC000012000306 207060817 /nfs/dbraw/zinc/06/08/17/207060817.db2.gz VUXXTSGKTGLGLX-UHFFFAOYSA-N 0 0 329.450 4.039 50 0 EIAARN Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@H](c1ccccc1)O2 ZINC000012297024 207084767 /nfs/dbraw/zinc/08/47/67/207084767.db2.gz IIBKUPHYBRWTHU-MRXNPFEDSA-N 0 0 334.371 4.425 50 0 biogenic EIAARN CSc1ccc(Cl)c(C(=O)Nc2cc(-c3cccnc3)no2)c1 ZINC000096184007 218647080 /nfs/dbraw/zinc/64/70/80/218647080.db2.gz NPIKHRCDDGKJQY-UHFFFAOYSA-N 0 0 345.811 4.364 50 0 EIAARN CC(C)(C)c1ccc(OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000012384134 207132865 /nfs/dbraw/zinc/13/28/65/207132865.db2.gz ZSRIPNTZZHHAPN-VQTJNVASSA-N 0 0 330.424 4.011 50 0 EIAARN O=C(Cc1cc(-c2cccs2)on1)Nc1ccc(F)c(Cl)c1 ZINC000012422257 207143744 /nfs/dbraw/zinc/14/37/44/207143744.db2.gz HXVGTOMVMJSBJK-UHFFFAOYSA-N 0 0 336.775 4.377 50 0 EIAARN O=C(NCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000006281346 210611551 /nfs/dbraw/zinc/61/15/51/210611551.db2.gz RTSYDGMYFSTTEJ-UHFFFAOYSA-N 0 0 348.446 4.075 50 0 EIAARN c1nc2ccccc2n1-c1ccc(Nc2ncnc3ccccc32)cn1 ZINC000012523200 207162279 /nfs/dbraw/zinc/16/22/79/207162279.db2.gz ZCCNISBCBYGKFN-UHFFFAOYSA-N 0 0 338.374 4.107 50 0 EIAARN CCSc1ccccc1C(=O)NC[C@H](OC)c1cccc(F)c1 ZINC000096388131 218747537 /nfs/dbraw/zinc/74/75/37/218747537.db2.gz KDXCBQRGWHIDAR-INIZCTEOSA-N 0 0 333.428 4.055 50 0 EIAARN C[NH+]1CCN(c2ccc(NC(=O)CCCC3CCCCC3)cc2)CC1 ZINC000012599186 207177738 /nfs/dbraw/zinc/17/77/38/207177738.db2.gz XYPOUBWLDUYTDV-UHFFFAOYSA-N 0 0 343.515 4.128 50 0 EIAARN C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000012540755 207173911 /nfs/dbraw/zinc/17/39/11/207173911.db2.gz DCQUWQYRKTWUQQ-NSHDSACASA-N 0 0 347.340 4.002 50 0 EIAARN C[C@@H](NC(=O)NCc1cccc(O)c1)c1ccc(-c2cccnc2)cc1 ZINC000176252142 207208539 /nfs/dbraw/zinc/20/85/39/207208539.db2.gz MKFHMTGTFJRHHI-OAHLLOKOSA-N 0 0 347.418 4.015 50 0 EIAARN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccccc1 ZINC000012764182 207245899 /nfs/dbraw/zinc/24/58/99/207245899.db2.gz MFFNJOTUDQMNOJ-UHFFFAOYSA-N 0 0 338.310 4.447 50 0 EIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2cccnc21 ZINC000012789015 207250665 /nfs/dbraw/zinc/25/06/65/207250665.db2.gz NJRPEUJBICEPDZ-GFCCVEGCSA-N 0 0 326.783 4.294 50 0 EIAARN C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1F ZINC000012798300 207251684 /nfs/dbraw/zinc/25/16/84/207251684.db2.gz QWONURNYVFMSMX-JTQLQIEISA-N 0 0 327.277 4.215 50 0 EIAARN CC[C@@H](C(=O)NCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000012725366 207243307 /nfs/dbraw/zinc/24/33/07/207243307.db2.gz JCPDXSCNUXGWLG-OAHLLOKOSA-N 0 0 326.421 4.213 50 0 EIAARN Cc1cccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)c1 ZINC000012756423 207244058 /nfs/dbraw/zinc/24/40/58/207244058.db2.gz BUYCIMMQGQALPF-GJZGRUSLSA-N 0 0 343.496 4.182 50 0 EIAARN O=C(CCSCCOc1ccccc1)Nc1ccc(F)c(F)c1 ZINC000013017173 207274051 /nfs/dbraw/zinc/27/40/51/207274051.db2.gz VDDBZFQBSWSNFQ-UHFFFAOYSA-N 0 0 337.391 4.106 50 0 EIAARN C[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000013056684 207283058 /nfs/dbraw/zinc/28/30/58/207283058.db2.gz XTIBTPPLMLWTMF-GFCCVEGCSA-N 0 0 337.250 4.452 50 0 EIAARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013063275 207283960 /nfs/dbraw/zinc/28/39/60/207283960.db2.gz WOLWFJZQOQNREZ-NSHDSACASA-N 0 0 335.234 4.383 50 0 EIAARN C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000013041455 207278934 /nfs/dbraw/zinc/27/89/34/207278934.db2.gz FDQIZQARHZNEEK-JTQLQIEISA-N 0 0 348.233 4.081 50 0 EIAARN CC(=O)O[C@H]1CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 ZINC000013123150 207350369 /nfs/dbraw/zinc/35/03/69/207350369.db2.gz BQCNQBZBDPWOLJ-MRXNPFEDSA-N 0 0 333.428 4.001 50 0 EIAARN O=C(COc1ccc(Cl)cc1)NCC1(c2cccs2)CCCC1 ZINC000013803065 207537224 /nfs/dbraw/zinc/53/72/24/207537224.db2.gz AXXLTDSEAHQAHF-UHFFFAOYSA-N 0 0 349.883 4.409 50 0 EIAARN CCC(=O)c1cc(F)ccc1OCC(=O)Nc1c(C)cccc1CC ZINC000014108757 207627425 /nfs/dbraw/zinc/62/74/25/207627425.db2.gz RNTXQVURRYFCFE-UHFFFAOYSA-N 0 0 343.398 4.307 50 0 EIAARN Cc1cccc(NC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c1 ZINC000096420978 218785358 /nfs/dbraw/zinc/78/53/58/218785358.db2.gz IMGHHHSPHABHLK-UHFFFAOYSA-N 0 0 333.435 4.193 50 0 EIAARN COc1ccc(C(C)=O)c(O[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000096449274 218832249 /nfs/dbraw/zinc/83/22/49/218832249.db2.gz HMIJCUQJCQWUNB-NSHDSACASA-N 0 0 344.392 4.149 50 0 EIAARN COc1ccc(C)c(NC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000096471012 218849625 /nfs/dbraw/zinc/84/96/25/218849625.db2.gz INQVCCBEEVPGCA-CXAGYDPISA-N 0 0 346.452 4.059 50 0 EIAARN Cc1csc([C@@H](C)CNC(=O)Nc2cccc(C(F)F)c2)n1 ZINC000096502780 218880091 /nfs/dbraw/zinc/88/00/91/218880091.db2.gz JTAMZKQOSBEYNB-VIFPVBQESA-N 0 0 325.384 4.314 50 0 EIAARN Cc1cccc(C=CC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000096940964 218904549 /nfs/dbraw/zinc/90/45/49/218904549.db2.gz VHXXVYWXTILWGF-KHPPLWFESA-N 0 0 333.431 4.130 50 0 EIAARN Cc1ccsc1-c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000028334665 257836152 /nfs/dbraw/zinc/83/61/52/257836152.db2.gz LZFZPGUOHQTBTP-UHFFFAOYSA-N 0 0 335.475 4.251 50 0 EIAARN CCCN(CCOC)C(=O)c1ccc(-c2ccccc2C(C)=O)cc1 ZINC000426443391 257967353 /nfs/dbraw/zinc/96/73/53/257967353.db2.gz NZKLRRRANSROOE-UHFFFAOYSA-N 0 0 339.435 4.055 50 0 EIAARN Cc1cc(Br)oc1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000377173359 257930084 /nfs/dbraw/zinc/93/00/84/257930084.db2.gz IVSNIDKCFUGPLM-UHFFFAOYSA-N 0 0 347.168 4.258 50 0 EIAARN CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)(C)c1cccnc1 ZINC000350520628 257930937 /nfs/dbraw/zinc/93/09/37/257930937.db2.gz SSQUIUVNLUXQST-UHFFFAOYSA-N 0 0 336.357 4.037 50 0 EIAARN c1ccc(-c2ccccc2OCc2nnc([C@H]3CCCOC3)o2)cc1 ZINC000521393753 257948722 /nfs/dbraw/zinc/94/87/22/257948722.db2.gz XSFASBUKZIEUDP-INIZCTEOSA-N 0 0 336.391 4.210 50 0 EIAARN COc1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000000130339 258047658 /nfs/dbraw/zinc/04/76/58/258047658.db2.gz SCKURRPDLRRERI-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN CC1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000000143779 258047773 /nfs/dbraw/zinc/04/77/73/258047773.db2.gz ZDZSRZQASJUVNJ-UHFFFAOYSA-N 0 0 342.675 4.067 50 0 EIAARN O=C(N[C@@H](CCCO)c1ccccc1)c1c(Cl)cccc1Cl ZINC000305148562 257975785 /nfs/dbraw/zinc/97/57/85/257975785.db2.gz OHLHJGCJLHTZLZ-HNNXBMFYSA-N 0 0 338.234 4.237 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)c1sccc1SC(F)F ZINC000107100404 257975874 /nfs/dbraw/zinc/97/58/74/257975874.db2.gz RGMKAUWBULTWGG-UHFFFAOYSA-N 0 0 325.365 4.191 50 0 EIAARN CCn1cc(-c2cccc(C(=O)NCCCCc3ccccc3)c2)cn1 ZINC000299777455 258087248 /nfs/dbraw/zinc/08/72/48/258087248.db2.gz CDYZCBOMVNIIMD-UHFFFAOYSA-N 0 0 347.462 4.323 50 0 EIAARN COC[C@H]1CCCN(C(=O)Nc2cccc(-c3csc(C)n3)c2)C1 ZINC000299779177 258088900 /nfs/dbraw/zinc/08/89/00/258088900.db2.gz DISNRRBFMWYNEH-AWEZNQCLSA-N 0 0 345.468 4.009 50 0 EIAARN CC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(OC)cc2OC)c1 ZINC000299786115 258093203 /nfs/dbraw/zinc/09/32/03/258093203.db2.gz VYIQBJDKLFJUDE-QGZVFWFLSA-N 0 0 339.435 4.385 50 0 EIAARN Cc1cccc([C@@H](NC(=O)CCCc2c[nH]c3ccccc23)C2CC2)n1 ZINC000299791511 258096988 /nfs/dbraw/zinc/09/69/88/258096988.db2.gz DZBFMVOPTOEKQD-QFIPXVFZSA-N 0 0 347.462 4.462 50 0 EIAARN Cc1ccc(CN(C(=O)Nc2ccc[nH]c2=O)C2CCCC2)cc1 ZINC000299793548 258098659 /nfs/dbraw/zinc/09/86/59/258098659.db2.gz HDGIZNSHOAVLHW-UHFFFAOYSA-N 0 0 325.412 4.072 50 0 EIAARN Cc1nc([C@H](C)N(C)C(=O)Nc2cc(C(C)(C)C)nn2C)c(C)s1 ZINC000299799051 258102987 /nfs/dbraw/zinc/10/29/87/258102987.db2.gz UIVNONMMJKRYKH-JTQLQIEISA-N 0 0 349.504 4.016 50 0 EIAARN Cc1ccc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)n1C(F)F ZINC000299802556 258105560 /nfs/dbraw/zinc/10/55/60/258105560.db2.gz ZJCUFTTWPZKDPH-LBPRGKRZSA-N 0 0 338.785 4.475 50 0 EIAARN Cc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)c(O)c1 ZINC000003436849 258050684 /nfs/dbraw/zinc/05/06/84/258050684.db2.gz ZTKKYVUSOHWYDG-UHFFFAOYSA-N 0 0 325.389 4.181 50 0 EIAARN CC[C@H](NC(=O)c1c(Cl)c(C)nn1C)C12CC3CC(CC(C3)C1)C2 ZINC000006489245 258051890 /nfs/dbraw/zinc/05/18/90/258051890.db2.gz MWXRECYZLDWZID-ZBUUCQELSA-N 0 0 349.906 4.107 50 0 EIAARN CCn1cc([C@H](C)NC(=O)/C=C/c2cccc3ccccc23)c(C)n1 ZINC000006490256 258051976 /nfs/dbraw/zinc/05/19/76/258051976.db2.gz CGOQJFPFXOQMKR-LHNRBYRGSA-N 0 0 333.435 4.255 50 0 EIAARN CC[C@H](NC(=O)c1ccnn1C(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000006489264 258051979 /nfs/dbraw/zinc/05/19/79/258051979.db2.gz CCERQKNGSGWUMJ-ZJZJNUNYSA-N 0 0 337.414 4.003 50 0 EIAARN O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCc1ccc(F)cc1 ZINC000012537152 258055131 /nfs/dbraw/zinc/05/51/31/258055131.db2.gz LPOVCQDHHLNHJM-MDZDMXLPSA-N 0 0 340.785 4.357 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc2c(s1)CCC2 ZINC000012907140 258055854 /nfs/dbraw/zinc/05/58/54/258055854.db2.gz GDNWYUUWUBWTDH-UHFFFAOYSA-N 0 0 328.462 4.119 50 0 EIAARN COc1ccc(CC(=O)N([C@H](C)c2ccccn2)C2CC2)c(Cl)c1 ZINC000095414654 258066882 /nfs/dbraw/zinc/06/68/82/258066882.db2.gz VLIWDNACUPTVDI-CYBMUJFWSA-N 0 0 344.842 4.038 50 0 EIAARN O=C(NCCCC[C@H]1CCCO1)c1cccc(-c2ccsc2)c1 ZINC000299759610 258076783 /nfs/dbraw/zinc/07/67/83/258076783.db2.gz PHMORPYVUXLSRZ-SFHVURJKSA-N 0 0 329.465 4.494 50 0 EIAARN CC(=O)c1ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000055292281 132194964 /nfs/dbraw/zinc/19/49/64/132194964.db2.gz IUYYBYRYCHDOLL-UHFFFAOYSA-N 0 0 346.833 4.004 50 0 EIAARN Fc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000055543521 132195524 /nfs/dbraw/zinc/19/55/24/132195524.db2.gz MHUBRQCEZKWULV-UHFFFAOYSA-N 0 0 338.348 4.167 50 0 EIAARN CC1(C)C=CN(c2ccc(-c3nc4ccccc4o3)cc2)C(=S)N1 ZINC000034926688 132389050 /nfs/dbraw/zinc/38/90/50/132389050.db2.gz OHIGEUQHAHKZMT-UHFFFAOYSA-N 0 0 335.432 4.482 50 0 EIAARN O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(F)cc1Cl ZINC000038698605 132397262 /nfs/dbraw/zinc/39/72/62/132397262.db2.gz IVFPBOVGSSCNEM-UHFFFAOYSA-N 0 0 346.789 4.248 50 0 EIAARN CN1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000040157076 132399105 /nfs/dbraw/zinc/39/91/05/132399105.db2.gz PJQWGZSONQAFJJ-CQSZACIVSA-N 0 0 348.368 4.059 50 0 EIAARN CCC(=O)O[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 ZINC000000267982 135648188 /nfs/dbraw/zinc/64/81/88/135648188.db2.gz NHMCUUWCWNYGQI-BEFAXECRSA-N 0 0 337.419 4.428 50 0 EIAARN O=C(Nc1cccc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000000311669 135648798 /nfs/dbraw/zinc/64/87/98/135648798.db2.gz AJLRIIQUYOPLKR-UHFFFAOYSA-N 0 0 349.409 4.333 50 0 EIAARN CC1CCN(c2ccccc2NC(=O)C(Cl)(Cl)Cl)CC1 ZINC000000621018 135653147 /nfs/dbraw/zinc/65/31/47/135653147.db2.gz NWUDOGPGDSVLIV-UHFFFAOYSA-N 0 0 335.662 4.232 50 0 EIAARN Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1C ZINC000002126091 135656532 /nfs/dbraw/zinc/65/65/32/135656532.db2.gz NHCMPSHDJPGSSQ-UHFFFAOYSA-N 0 0 347.414 4.255 50 0 biogenic EIAARN CC[C@H]1CN(C(=O)Nc2ccccc2OC)c2cc(C)ccc2O1 ZINC000006450044 135674505 /nfs/dbraw/zinc/67/45/05/135674505.db2.gz SDXADEQSZNMLPO-AWEZNQCLSA-N 0 0 326.396 4.213 50 0 EIAARN O=C(CC1CCCCC1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000007814846 135681374 /nfs/dbraw/zinc/68/13/74/135681374.db2.gz NPQJYFCFKUBZSP-UHFFFAOYSA-N 0 0 336.863 4.086 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccc2c(c1)OCO2 ZINC000007885003 135681594 /nfs/dbraw/zinc/68/15/94/135681594.db2.gz VWQYSHKFBUKEGV-FQEVSTJZSA-N 0 0 344.370 4.186 50 0 EIAARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(F)c1 ZINC000012558685 135696885 /nfs/dbraw/zinc/69/68/85/135696885.db2.gz ROKNCEOQRBRGAM-HNNXBMFYSA-N 0 0 341.430 4.255 50 0 EIAARN COc1ccc(-c2nnc3sc(-c4ccc(C)c(C)c4)nn32)cc1 ZINC000013956876 518142920 /nfs/dbraw/zinc/14/29/20/518142920.db2.gz LUOCARIRKOZAST-UHFFFAOYSA-N 0 0 336.420 4.145 50 0 EIAARN c1nc(CSc2nnc(-c3ccncc3)o2)oc1-c1ccccc1 ZINC000014094861 518203962 /nfs/dbraw/zinc/20/39/62/518203962.db2.gz UUJLBEDCERQDDM-UHFFFAOYSA-N 0 0 336.376 4.079 50 0 EIAARN CC(C)c1ccc([C@H]2CCCCN2C(=O)CCc2cnccn2)cc1 ZINC000253428739 519840316 /nfs/dbraw/zinc/84/03/16/519840316.db2.gz LBXWNAVTGDQORK-HXUWFJFHSA-N 0 0 337.467 4.286 50 0 EIAARN CC(=O)c1cc(CN(C)Cc2cc(-c3cccs3)n[nH]2)cs1 ZINC000244584338 534818359 /nfs/dbraw/zinc/81/83/59/534818359.db2.gz CXMOURZZJHIDHD-UHFFFAOYSA-N 0 0 331.466 4.034 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCC[C@H]2C)c(OC)c1 ZINC000242302144 525246075 /nfs/dbraw/zinc/24/60/75/525246075.db2.gz YPWKBTDVBFAZMU-OLMNPRSZSA-N 0 0 346.471 4.129 50 0 EIAARN CCCN1CCCc2cc(CCNC(=O)c3ccc(C)cc3)ccc21 ZINC000035588091 534915855 /nfs/dbraw/zinc/91/58/55/534915855.db2.gz LSSSOTPFJMCRNN-UHFFFAOYSA-N 0 0 336.479 4.130 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000245358623 526566737 /nfs/dbraw/zinc/56/67/37/526566737.db2.gz ZWULMDXKCIEODN-PNPHSEOMSA-N 0 0 344.480 4.100 50 0 EIAARN c1coc(CN[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)c1 ZINC000095417547 526567801 /nfs/dbraw/zinc/56/78/01/526567801.db2.gz KJVPGXTVCPHGBC-SFHVURJKSA-N 0 0 331.375 4.209 50 0 EIAARN CCC(CC)n1nc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc1C ZINC000189582504 528902037 /nfs/dbraw/zinc/90/20/37/528902037.db2.gz HLWADYSAZJRLGG-QGZVFWFLSA-N 0 0 341.455 4.115 50 0 EIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)c1csc(C(C)=O)c1 ZINC000215033959 534941950 /nfs/dbraw/zinc/94/19/50/534941950.db2.gz LAGWWIVNHOJNGS-INIZCTEOSA-N 0 0 330.453 4.349 50 0 EIAARN CC(C)c1cc([C@@H]2CCCN2Cc2cc(-c3ccncc3)no2)no1 ZINC000244626685 535370345 /nfs/dbraw/zinc/37/03/45/535370345.db2.gz FQOYHQNJHIARLB-SFHVURJKSA-N 0 0 338.411 4.185 50 0 EIAARN CCOCC1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1 ZINC000223354587 535444196 /nfs/dbraw/zinc/44/41/96/535444196.db2.gz XLVYEKQJNDKYJJ-UHFFFAOYSA-N 0 0 341.426 4.381 50 0 EIAARN CN(Cc1nnc(-c2cccc(F)c2)o1)Cc1cnc2ccccc2c1 ZINC000244646886 536486666 /nfs/dbraw/zinc/48/66/66/536486666.db2.gz GQVDUNARXDFELQ-UHFFFAOYSA-N 0 0 348.381 4.056 50 0 EIAARN CCc1ccccc1C(=O)c1ccccc1I ZINC000043210152 563925246 /nfs/dbraw/zinc/92/52/46/563925246.db2.gz BZYCJTILUZCUQL-UHFFFAOYSA-N 0 0 336.172 4.085 50 0 EIAARN CCc1cc([C@H]2CCCN2Cc2cccc(Br)c2)on1 ZINC000064666965 563956915 /nfs/dbraw/zinc/95/69/15/563956915.db2.gz PQAROTRMMNJTNR-OAHLLOKOSA-N 0 0 335.245 4.337 50 0 EIAARN O=C(Nc1c(F)cccc1NC1CC1)c1ccccc1Br ZINC000174494411 564012918 /nfs/dbraw/zinc/01/29/18/564012918.db2.gz KVKAYDPAVAVMSP-UHFFFAOYSA-N 0 0 349.203 4.415 50 0 EIAARN NC(=O)c1cc(NCc2ccccc2C(F)(F)F)ccc1Cl ZINC000026785794 564040638 /nfs/dbraw/zinc/04/06/38/564040638.db2.gz AHQRABRUTSOQCM-UHFFFAOYSA-N 0 0 328.721 4.070 50 0 EIAARN CC[C@@H](C)N1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000000981291 564053816 /nfs/dbraw/zinc/05/38/16/564053816.db2.gz POQSZIOMVXPHDP-ZPBHHCQCSA-N 0 0 340.242 4.284 50 0 EIAARN CC[C@H](C)Sc1nnc(NC(=O)c2c(F)cccc2Cl)s1 ZINC000004079417 564160389 /nfs/dbraw/zinc/16/03/89/564160389.db2.gz ZQHWPIUUVOLMER-ZETCQYMHSA-N 0 0 345.852 4.474 50 0 EIAARN CC(C)Nc1nnc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)s1 ZINC000008428588 564165241 /nfs/dbraw/zinc/16/52/41/564165241.db2.gz CHHDRSCLVFUGPT-VIFPVBQESA-N 0 0 341.889 4.375 50 0 EIAARN Cc1c2ccc([O-])cc2oc(=O)c1-c1cccc(Br)c1 ZINC000000057824 563213692 /nfs/dbraw/zinc/21/36/92/563213692.db2.gz UROPOWFTHJUJKK-UHFFFAOYSA-N 0 0 331.165 4.237 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1nsc(Cl)c1Cl ZINC000000128480 563237553 /nfs/dbraw/zinc/23/75/53/563237553.db2.gz KWCSXECXEHSBQV-UHFFFAOYSA-N 0 0 325.579 4.495 50 0 EIAARN NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000000027722 563211604 /nfs/dbraw/zinc/21/16/04/563211604.db2.gz RABIPFFYVRHDLW-UHFFFAOYSA-N 0 0 349.843 4.023 50 0 EIAARN O=c1c2ccccc2nc(-c2ccccc2F)n1CCc1ccccc1 ZINC000000033254 563211777 /nfs/dbraw/zinc/21/17/77/563211777.db2.gz BTWCDQXEHVUOHZ-UHFFFAOYSA-N 0 0 344.389 4.445 50 0 EIAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1ccco1)CCCC2 ZINC000000035604 563211902 /nfs/dbraw/zinc/21/19/02/563211902.db2.gz MRQHSYUQPCWNJN-UHFFFAOYSA-N 0 0 333.409 4.037 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(C)cc2Br)c(C)c1 ZINC000000038441 563212285 /nfs/dbraw/zinc/21/22/85/563212285.db2.gz HJUCZDQAZOHOCY-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000000045871 563213214 /nfs/dbraw/zinc/21/32/14/563213214.db2.gz VRSDYVYQTVWMIH-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCOCC1 ZINC000000056324 563213701 /nfs/dbraw/zinc/21/37/01/563213701.db2.gz HBLSSUBOZZILQD-UHFFFAOYSA-N 0 0 349.352 4.392 50 0 EIAARN S=C(NCc1csc2ccccc12)Nc1ccc2c(c1)OCO2 ZINC000000069429 563214835 /nfs/dbraw/zinc/21/48/35/563214835.db2.gz HVHXOCIVJRJTIO-UHFFFAOYSA-N 0 0 342.445 4.117 50 0 EIAARN CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000070767 563215115 /nfs/dbraw/zinc/21/51/15/563215115.db2.gz QRICOXPRSCVAFP-LFIBNONCSA-N 0 0 327.767 4.083 50 0 EIAARN Clc1ccc(Cn2nnc(-c3ccccc3Cl)n2)c(Cl)c1 ZINC000000070588 563215165 /nfs/dbraw/zinc/21/51/65/563215165.db2.gz ZMLQGTDHVUJCIE-UHFFFAOYSA-N 0 0 339.613 4.349 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000000077576 563217556 /nfs/dbraw/zinc/21/75/56/563217556.db2.gz BOESBUNSKATOBG-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 ZINC000000077591 563217586 /nfs/dbraw/zinc/21/75/86/563217586.db2.gz SEQHVJYHFBXFJF-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CCc1cc2c(cc1OC(C)=O)oc(C)c(Oc1ccccc1)c2=O ZINC000000086741 563220747 /nfs/dbraw/zinc/22/07/47/563220747.db2.gz PWBYBYFBOOULAX-UHFFFAOYSA-N 0 0 338.359 4.381 50 0 EIAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000000088680 563221497 /nfs/dbraw/zinc/22/14/97/563221497.db2.gz PYYPCJBOQYQSKW-GOSISDBHSA-N 0 0 328.799 4.046 50 0 EIAARN C[C@H]1CCc2c(sc3ncnc(Nc4ccc5c(c4)OCO5)c23)C1 ZINC000000090121 563221882 /nfs/dbraw/zinc/22/18/82/563221882.db2.gz VIIBPIKBKUPPIT-JTQLQIEISA-N 0 0 339.420 4.288 50 0 EIAARN Nc1nnc(Sc2nc3c(cc(Cl)cc3Cl)s2)s1 ZINC000000091377 563222460 /nfs/dbraw/zinc/22/24/60/563222460.db2.gz PKYLEGSRZHHYDA-UHFFFAOYSA-N 0 0 335.266 4.188 50 0 EIAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(F)cc1 ZINC000000097523 563224618 /nfs/dbraw/zinc/22/46/18/563224618.db2.gz KYEAKTWPDMJEDF-UHFFFAOYSA-N 0 0 346.365 4.120 50 0 EIAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)cc2)cc1 ZINC000000104517 563226977 /nfs/dbraw/zinc/22/69/77/563226977.db2.gz NIVYHBWXSKJHGZ-FQEVSTJZSA-N 0 0 330.387 4.472 50 0 EIAARN CCOc1ccc(/C=C/C(=O)N(CC(C)C)CC(C)C)cc1OC ZINC000000119810 563233665 /nfs/dbraw/zinc/23/36/65/563233665.db2.gz GWQBTWYBJNEULK-PKNBQFBNSA-N 0 0 333.472 4.248 50 0 EIAARN Cc1cn(CCC(=O)NCc2c(F)cccc2Cl)c2ccccc12 ZINC000000119600 563233675 /nfs/dbraw/zinc/23/36/75/563233675.db2.gz YAZVLPANFBKSJJ-UHFFFAOYSA-N 0 0 344.817 4.449 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000000121734 563234844 /nfs/dbraw/zinc/23/48/44/563234844.db2.gz IQOVNHLCKPZXBD-CQSZACIVSA-N 0 0 327.424 4.399 50 0 biogenic EIAARN CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000123319 563235450 /nfs/dbraw/zinc/23/54/50/563235450.db2.gz BYSXJGVIGOOMLS-UHFFFAOYSA-N 0 0 325.408 4.413 50 0 EIAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2 ZINC000000127224 563236851 /nfs/dbraw/zinc/23/68/51/563236851.db2.gz BXMNXJVDBHPWPD-UHFFFAOYSA-N 0 0 334.828 4.101 50 0 EIAARN O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000000130212 563238072 /nfs/dbraw/zinc/23/80/72/563238072.db2.gz BGODBYCQSDDIQL-UHFFFAOYSA-N 0 0 334.746 4.333 50 0 EIAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCc1ccco1 ZINC000000131134 563238383 /nfs/dbraw/zinc/23/83/83/563238383.db2.gz GIOITSVZHKTQGT-JLHYYAGUSA-N 0 0 333.387 4.188 50 0 EIAARN Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl ZINC000000133286 563239079 /nfs/dbraw/zinc/23/90/79/563239079.db2.gz PESUVQQDFVQEHI-UHFFFAOYSA-N 0 0 328.170 4.458 50 0 EIAARN COC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000000139489 563241443 /nfs/dbraw/zinc/24/14/43/563241443.db2.gz PIPBTZSRGDJLSK-VIFPVBQESA-N 0 0 342.178 4.121 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)c1cncc(Br)c1 ZINC000000145355 563244126 /nfs/dbraw/zinc/24/41/26/563244126.db2.gz CZFWQQQTMFAFEM-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN O=C(NCc1ccncc1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC000000157159 563248094 /nfs/dbraw/zinc/24/80/94/563248094.db2.gz SEYXGXMXMPARTP-UHFFFAOYSA-N 0 0 328.843 4.325 50 0 EIAARN O=C(Oc1cccc2cccnc21)c1ccc(Br)cc1 ZINC000000175269 563252714 /nfs/dbraw/zinc/25/27/14/563252714.db2.gz NIMPOVGNJNEPNX-UHFFFAOYSA-N 0 0 328.165 4.217 50 0 EIAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(C)c(C)c1 ZINC000000181505 563254140 /nfs/dbraw/zinc/25/41/40/563254140.db2.gz MJWHAXWVHSVCPI-UHFFFAOYSA-N 0 0 345.752 4.119 50 0 EIAARN O=S(=O)(Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000000186078 563255523 /nfs/dbraw/zinc/25/55/23/563255523.db2.gz FUGYLNQMOSTUIS-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN Nc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 ZINC000000194569 563257193 /nfs/dbraw/zinc/25/71/93/563257193.db2.gz NVVIQGMTHCUMFT-UHFFFAOYSA-N 0 0 345.358 4.035 50 0 EIAARN Cc1cnn(-c2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c1 ZINC000000209636 563260426 /nfs/dbraw/zinc/26/04/26/563260426.db2.gz ABSDZEWKENNKCR-UHFFFAOYSA-N 0 0 330.366 4.444 50 0 EIAARN Clc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c(Cl)c1 ZINC000000211991 563261189 /nfs/dbraw/zinc/26/11/89/563261189.db2.gz NJMKCXPUQFIAOY-UHFFFAOYSA-N 0 0 335.146 4.439 50 0 EIAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000000222196 563262599 /nfs/dbraw/zinc/26/25/99/563262599.db2.gz LHMPORLAEDKRHM-IAGOWNOFSA-N 0 0 340.814 4.086 50 0 EIAARN COc1ccc(-c2ccccc2)cc1N1C(=O)c2ccc(F)cc2C1=O ZINC000000246973 563266136 /nfs/dbraw/zinc/26/61/36/563266136.db2.gz UGYCOPYSXGDLEU-UHFFFAOYSA-N 0 0 347.345 4.302 50 0 EIAARN CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 ZINC000000246472 563266176 /nfs/dbraw/zinc/26/61/76/563266176.db2.gz BCQXSTMXOWSUGE-UHFFFAOYSA-N 0 0 342.489 4.356 50 0 EIAARN O=C1c2ccccc2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl ZINC000000249007 563266492 /nfs/dbraw/zinc/26/64/92/563266492.db2.gz TWSFLJDMCCNHAB-UHFFFAOYSA-N 0 0 341.581 4.270 50 0 EIAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000000269376 563269330 /nfs/dbraw/zinc/26/93/30/563269330.db2.gz AQAOHKDZIAZWJG-LLVKDONJSA-N 0 0 349.839 4.231 50 0 EIAARN O=C(NC[C@@H]1CCCO1)c1sc2cc(Cl)ccc2c1Cl ZINC000000297945 563274880 /nfs/dbraw/zinc/27/48/80/563274880.db2.gz HFCSBQVBMRLYQE-VIFPVBQESA-N 0 0 330.236 4.117 50 0 EIAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 ZINC000000303108 563276782 /nfs/dbraw/zinc/27/67/82/563276782.db2.gz FTYJSFNHSZULMN-MRXNPFEDSA-N 0 0 336.435 4.110 50 0 EIAARN O=c1c2cc(-c3ccccc3)sc2ncn1CCc1ccccc1 ZINC000000306630 563278061 /nfs/dbraw/zinc/27/80/61/563278061.db2.gz YWNAXGUCNHNSRQ-UHFFFAOYSA-N 0 0 332.428 4.368 50 0 EIAARN Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(-c2ccccc2)o1 ZINC000000308303 563278829 /nfs/dbraw/zinc/27/88/29/563278829.db2.gz PCWZFXIPNGZCNM-UHFFFAOYSA-N 0 0 335.359 4.279 50 0 EIAARN COc1ccccc1/C=C/C(=O)NCC1(c2ccccc2)CCCC1 ZINC000000310575 563280600 /nfs/dbraw/zinc/28/06/00/563280600.db2.gz JRUYRVOOZSETQC-BUHFOSPRSA-N 0 0 335.447 4.337 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000000313614 563281703 /nfs/dbraw/zinc/28/17/03/563281703.db2.gz OAIMBCNIHVOSTO-MDZDMXLPSA-N 0 0 347.330 4.242 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000000318866 563284046 /nfs/dbraw/zinc/28/40/46/563284046.db2.gz WOHKGNIOZLUUMX-UHFFFAOYSA-N 0 0 346.814 4.014 50 0 EIAARN O=C1N(c2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C1(F)F ZINC000000350840 563289467 /nfs/dbraw/zinc/28/94/67/563289467.db2.gz VAXZEGQTSSDXBB-CYBMUJFWSA-N 0 0 327.252 4.429 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000000352750 563290132 /nfs/dbraw/zinc/29/01/32/563290132.db2.gz QHHDYPYDVOOPPP-ZWKOTPCHSA-N 0 0 335.831 4.073 50 0 EIAARN COc1cc(OC)c(C(=O)Nc2cccc3ccccc32)cc1OC ZINC000000365315 563296207 /nfs/dbraw/zinc/29/62/07/563296207.db2.gz JILNHEMBSLEZDV-UHFFFAOYSA-N 0 0 337.375 4.118 50 0 EIAARN CC(C)(C)N1C(=O)c2ccc(-c3nc4ccccc4s3)cc2C1=O ZINC000000367818 563296816 /nfs/dbraw/zinc/29/68/16/563296816.db2.gz ZGKNLYOJXYAWFC-UHFFFAOYSA-N 0 0 336.416 4.358 50 0 EIAARN CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 ZINC000000386105 563302815 /nfs/dbraw/zinc/30/28/15/563302815.db2.gz JZNZTHJPNWCZQI-UHFFFAOYSA-N 0 0 342.445 4.230 50 0 EIAARN CCN(C(=O)Nc1cc(OC)ccc1OC)c1cc(C)ccc1OC ZINC000000401791 563306385 /nfs/dbraw/zinc/30/63/85/563306385.db2.gz ZTGRXCWADDEQQI-UHFFFAOYSA-N 0 0 344.411 4.079 50 0 EIAARN O=C(COc1cccc(Cl)c1)Nc1ccc(Br)cc1 ZINC000000406236 563306618 /nfs/dbraw/zinc/30/66/18/563306618.db2.gz DVTHZRCXTUZMEB-UHFFFAOYSA-N 0 0 340.604 4.120 50 0 EIAARN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc3ccccc32)[NH2+]1 ZINC000000408723 563307642 /nfs/dbraw/zinc/30/76/42/563307642.db2.gz VZLUBLQTLIFDKP-UXHICEINSA-N 0 0 342.398 4.009 50 0 biogenic EIAARN CCOc1cc2oc(C)c(-c3nc(C)cs3)c(=O)c2cc1CC ZINC000000408895 563308056 /nfs/dbraw/zinc/30/80/56/563308056.db2.gz CAMKMPPUTJUSHF-UHFFFAOYSA-N 0 0 329.421 4.494 50 0 EIAARN COc1ccc([C@@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000432250 563311293 /nfs/dbraw/zinc/31/12/93/563311293.db2.gz FGRMHATUCKBIJV-OAQYLSRUSA-N 0 0 344.414 4.175 50 0 EIAARN CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C ZINC000000433675 563311920 /nfs/dbraw/zinc/31/19/20/563311920.db2.gz ZOWLSIPACNYHEW-UHFFFAOYSA-N 0 0 337.466 4.498 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000000438495 563313339 /nfs/dbraw/zinc/31/33/39/563313339.db2.gz UNJRFYXXMVLQNN-HNNXBMFYSA-N 0 0 349.814 4.153 50 0 EIAARN Cc1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)c(C)c1 ZINC000000439542 563313484 /nfs/dbraw/zinc/31/34/84/563313484.db2.gz LYDXNLIJETZYSP-UHFFFAOYSA-N 0 0 327.383 4.356 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000000441561 563314152 /nfs/dbraw/zinc/31/41/52/563314152.db2.gz PMAZHOZHGDETRJ-UHFFFAOYSA-N 0 0 345.704 4.256 50 0 EIAARN Cc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000000444953 563316692 /nfs/dbraw/zinc/31/66/92/563316692.db2.gz WVZGBNKGOSAGJW-UHFFFAOYSA-N 0 0 337.463 4.164 50 0 EIAARN O=C1c2ccc(-c3nc4ccccc4o3)cc2C(=O)N1C1CCCCC1 ZINC000000450598 563319336 /nfs/dbraw/zinc/31/93/36/563319336.db2.gz KNMBIVNBUQALHW-UHFFFAOYSA-N 0 0 346.386 4.424 50 0 EIAARN CC(C)(C)c1csc(NC(=O)c2ccccc2Br)n1 ZINC000000451044 563320045 /nfs/dbraw/zinc/32/00/45/563320045.db2.gz JBBLRGITDARWCN-UHFFFAOYSA-N 0 0 339.258 4.455 50 0 EIAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000000451899 563320733 /nfs/dbraw/zinc/32/07/33/563320733.db2.gz BDHODAABNLQWFB-SNVBAGLBSA-N 0 0 325.195 4.103 50 0 EIAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000000452267 563321004 /nfs/dbraw/zinc/32/10/04/563321004.db2.gz AGXGQDJYLQDXQO-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN Cc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c1O ZINC000000453390 563321983 /nfs/dbraw/zinc/32/19/83/563321983.db2.gz IUYBMIPFKFOFAC-NRFANRHFSA-N 0 0 346.382 4.482 50 0 EIAARN O=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000000453522 563322029 /nfs/dbraw/zinc/32/20/29/563322029.db2.gz BQPHZTXCYLAKOD-UHFFFAOYSA-N 0 0 325.589 4.494 50 0 EIAARN Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccccc2C)c1 ZINC000000462293 563327263 /nfs/dbraw/zinc/32/72/63/563327263.db2.gz QKDNAODTUYZDRD-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN CCc1ccc(N2C(=S)N=NC2c2cc(Cl)ccc2OC)cc1 ZINC000000462892 563327300 /nfs/dbraw/zinc/32/73/00/563327300.db2.gz XRMGFBUFGKHEMX-UHFFFAOYSA-N 0 0 345.855 4.447 50 0 EIAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 ZINC000000464701 563328065 /nfs/dbraw/zinc/32/80/65/563328065.db2.gz NWZZJRQVWCSFQH-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000000464560 563328070 /nfs/dbraw/zinc/32/80/70/563328070.db2.gz GBYCBAODDJRZQZ-GFCCVEGCSA-N 0 0 346.814 4.013 50 0 EIAARN O=C(Nc1ccc(Cl)cn1)c1ccc(COCC(F)(F)F)cc1 ZINC000000468504 563329708 /nfs/dbraw/zinc/32/97/08/563329708.db2.gz QRCUSDFZOURDME-UHFFFAOYSA-N 0 0 344.720 4.066 50 0 EIAARN C[C@@H]1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)s1 ZINC000000469701 563330172 /nfs/dbraw/zinc/33/01/72/563330172.db2.gz QFOUOWKUVBUCIE-SECBINFHSA-N 0 0 345.848 4.071 50 0 EIAARN COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000471851 563331947 /nfs/dbraw/zinc/33/19/47/563331947.db2.gz WWIGRUSCDSFULW-UHFFFAOYSA-N 0 0 339.222 4.366 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)Nc1ccccc1)C[C@H](C)CC2 ZINC000000473832 563332845 /nfs/dbraw/zinc/33/28/45/563332845.db2.gz DUBROZCEPXVLTR-LLVKDONJSA-N 0 0 344.436 4.304 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)Nc1ccccc1)C[C@@H](C)CC2 ZINC000000473831 563332880 /nfs/dbraw/zinc/33/28/80/563332880.db2.gz DUBROZCEPXVLTR-NSHDSACASA-N 0 0 344.436 4.304 50 0 EIAARN Cc1sc(NC(=O)/C=C/c2ccco2)c(C(=O)OC(C)C)c1C ZINC000000474812 563333485 /nfs/dbraw/zinc/33/34/85/563333485.db2.gz NXIPUDKWAFEDDR-BQYQJAHWSA-N 0 0 333.409 4.175 50 0 EIAARN COc1cccc(-n2cnc3scc(-c4cccs4)c3c2=O)c1 ZINC000000477021 563334740 /nfs/dbraw/zinc/33/47/40/563334740.db2.gz MZVDIUPFRRXAIT-UHFFFAOYSA-N 0 0 340.429 4.184 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000000476715 563334741 /nfs/dbraw/zinc/33/47/41/563334741.db2.gz OAIQQOOYBVHXIS-XBXARRHUSA-N 0 0 335.762 4.148 50 0 EIAARN Cc1c(C(=O)Nc2ccccc2)c2ccc(C(F)(F)F)cc2n1O ZINC000000480555 563336074 /nfs/dbraw/zinc/33/60/74/563336074.db2.gz HXVYGLARFPWKJJ-UHFFFAOYSA-N 0 0 334.297 4.458 50 0 EIAARN Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000000523771 563340607 /nfs/dbraw/zinc/34/06/07/563340607.db2.gz SQOWCARFNJILJL-UHFFFAOYSA-N 0 0 339.342 4.386 50 0 EIAARN Cc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 ZINC000000530392 563342427 /nfs/dbraw/zinc/34/24/27/563342427.db2.gz ZJTQSJOWJXJZBB-UHFFFAOYSA-N 0 0 340.839 4.265 50 0 EIAARN CC1(C)CC(=O)c2cnc(NC(=O)c3cccc4ccccc43)nc2C1 ZINC000000534437 563343454 /nfs/dbraw/zinc/34/34/54/563343454.db2.gz BRJFYIAMJRMJHP-UHFFFAOYSA-N 0 0 345.402 4.037 50 0 EIAARN O=C(Nc1cccc2ncccc21)c1ccccc1Br ZINC000000556456 563345796 /nfs/dbraw/zinc/34/57/96/563345796.db2.gz DDSYSYFQGLGIEP-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN CCN(C(=O)CSc1nc2ccccc2s1)c1ccccc1 ZINC000000561722 563347448 /nfs/dbraw/zinc/34/74/48/563347448.db2.gz ODYQYPKAOHNJGF-UHFFFAOYSA-N 0 0 328.462 4.442 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000000570031 563348996 /nfs/dbraw/zinc/34/89/96/563348996.db2.gz XUUZVPMXYMYCDS-UHFFFAOYSA-N 0 0 326.396 4.075 50 0 EIAARN CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(C)cc3)ccc12 ZINC000000610018 563353485 /nfs/dbraw/zinc/35/34/85/563353485.db2.gz PYTPMKMNXSBQAS-UHFFFAOYSA-N 0 0 336.387 4.234 50 0 EIAARN Fc1cccc(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 ZINC000000610030 563353517 /nfs/dbraw/zinc/35/35/17/563353517.db2.gz KOCCBWMKLHSYAN-UHFFFAOYSA-N 0 0 328.456 4.477 50 0 EIAARN CCCC(=O)c1ccc(OCc2cc(C(C)=O)ccc2OC)cc1 ZINC000000613824 563356608 /nfs/dbraw/zinc/35/66/08/563356608.db2.gz SXHVNTUQYPBJCF-UHFFFAOYSA-N 0 0 326.392 4.460 50 0 EIAARN Cc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1Cl ZINC000000614004 563356636 /nfs/dbraw/zinc/35/66/36/563356636.db2.gz FFOPADAVWOALNG-UHFFFAOYSA-N 0 0 330.236 4.244 50 0 EIAARN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1 ZINC000000615145 563357817 /nfs/dbraw/zinc/35/78/17/563357817.db2.gz RLPNGXJXLYEYAS-UHFFFAOYSA-N 0 0 345.427 4.288 50 0 EIAARN Cc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000000616065 563358460 /nfs/dbraw/zinc/35/84/60/563358460.db2.gz UQHJEJUJBDBEEV-UHFFFAOYSA-N 0 0 338.632 4.341 50 0 EIAARN COc1ccc(C(=O)Oc2ccc3c(c2C)CCCC3)cc1OC ZINC000000621645 563362358 /nfs/dbraw/zinc/36/23/58/563362358.db2.gz IAOYEGXRNGOCFH-UHFFFAOYSA-N 0 0 326.392 4.110 50 0 EIAARN Cc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000000816347 563364473 /nfs/dbraw/zinc/36/44/73/563364473.db2.gz CYPZWBGRMIWEBC-OAHLLOKOSA-N 0 0 349.386 4.491 50 0 EIAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C1CCC1 ZINC000001002536 563367683 /nfs/dbraw/zinc/36/76/83/563367683.db2.gz GFJCCASFXVKFKJ-UHFFFAOYSA-N 0 0 337.242 4.311 50 0 EIAARN O=C(Nc1nncs1)c1sc2cc(Cl)ccc2c1Cl ZINC000001053383 563370411 /nfs/dbraw/zinc/37/04/11/563370411.db2.gz ZHCINPLNPROYAP-UHFFFAOYSA-N 0 0 330.221 4.312 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2csc3ccccc23)cc1OC ZINC000001054813 563370885 /nfs/dbraw/zinc/37/08/85/563370885.db2.gz SZYGZRZBEOZVDK-GFCCVEGCSA-N 0 0 341.432 4.410 50 0 EIAARN COc1ccc(CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000001055841 563371126 /nfs/dbraw/zinc/37/11/26/563371126.db2.gz TZHIGIYKTSZVPY-UHFFFAOYSA-N 0 0 345.468 4.166 50 0 EIAARN O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccccc1Cl ZINC000001183538 563377718 /nfs/dbraw/zinc/37/77/18/563377718.db2.gz ZXAWSCKTCJUXIH-DHDCSXOGSA-N 0 0 345.807 4.282 50 0 EIAARN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)cs2)C[C@@H](C)O1 ZINC000001501438 563391312 /nfs/dbraw/zinc/39/13/12/563391312.db2.gz BHWKBOLYOPDXJM-VXGBXAGGSA-N 0 0 335.856 4.318 50 0 EIAARN CCCCOC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1 ZINC000001753348 563409553 /nfs/dbraw/zinc/40/95/53/563409553.db2.gz LOZQZJZMHJQPIM-UHFFFAOYSA-N 0 0 330.359 4.427 50 0 EIAARN CCCCOc1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000001772226 563410553 /nfs/dbraw/zinc/41/05/53/563410553.db2.gz ZZSZPWKGGLUJNF-UHFFFAOYSA-N 0 0 349.228 4.275 50 0 EIAARN CCc1ccc(OCCCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000001773484 563410610 /nfs/dbraw/zinc/41/06/10/563410610.db2.gz IVTWRXHBRCIVCN-UHFFFAOYSA-N 0 0 326.440 4.113 50 0 EIAARN CCCCOc1ccc(NC(=O)COc2ccccc2CC)cc1 ZINC000001779260 563411517 /nfs/dbraw/zinc/41/15/17/563411517.db2.gz JPEAWQZLDZTHBV-UHFFFAOYSA-N 0 0 327.424 4.445 50 0 EIAARN CCc1nc(C)sc1CNC(=O)N(C)Cc1cccc(SC)c1 ZINC000584902410 563417629 /nfs/dbraw/zinc/41/76/29/563417629.db2.gz PLPVNJBFEKLSDM-UHFFFAOYSA-N 0 0 349.525 4.077 50 0 EIAARN CCCOc1cccc(C(=O)NC(=S)Nc2c(C)cccc2C)c1 ZINC000002053723 563420208 /nfs/dbraw/zinc/42/02/08/563420208.db2.gz JFFCTMJQEZSBBG-UHFFFAOYSA-N 0 0 342.464 4.219 50 0 EIAARN Cc1ccc2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2n1 ZINC000002059027 563420364 /nfs/dbraw/zinc/42/03/64/563420364.db2.gz FFCBCSVZISNCQD-UHFFFAOYSA-N 0 0 349.411 4.464 50 0 EIAARN Cc1ccc(C(=O)OCCSc2ccc(C(F)(F)F)cn2)cc1 ZINC000002144340 563423788 /nfs/dbraw/zinc/42/37/88/563423788.db2.gz URDOTAHPWWITLZ-UHFFFAOYSA-N 0 0 341.354 4.358 50 0 EIAARN Cc1cc(CCCCCCCCc2cc(C)cc(=O)o2)oc(=O)c1 ZINC000002170423 563425217 /nfs/dbraw/zinc/42/52/17/563425217.db2.gz JMYOBTNXOWPLHZ-UHFFFAOYSA-N 0 0 330.424 4.336 50 0 EIAARN COc1ccccc1C(=O)NCCSCc1ccccc1Cl ZINC000002179472 563425466 /nfs/dbraw/zinc/42/54/66/563425466.db2.gz FKPBRRDLEWCMJJ-UHFFFAOYSA-N 0 0 335.856 4.012 50 0 EIAARN CCCCC(=O)Nc1cccc(NC(=O)c2cccnc2Cl)c1 ZINC000002238828 563427683 /nfs/dbraw/zinc/42/76/83/563427683.db2.gz RQZFECTZWWITLQ-UHFFFAOYSA-N 0 0 331.803 4.116 50 0 EIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1Cl ZINC000002332533 563429712 /nfs/dbraw/zinc/42/97/12/563429712.db2.gz UQDFCUIGEJXPDI-UHFFFAOYSA-N 0 0 333.218 4.447 50 0 biogenic EIAARN O=C(c1ccc(Cl)cc1)c1cccc(CN2CCSCC2)c1 ZINC000002515285 563436333 /nfs/dbraw/zinc/43/63/33/563436333.db2.gz TVLRPINHYNXHMQ-UHFFFAOYSA-N 0 0 331.868 4.120 50 0 EIAARN O=C(c1cccc(CN2CCSCC2)c1)c1ccc(F)c(Cl)c1 ZINC000002515296 563436397 /nfs/dbraw/zinc/43/63/97/563436397.db2.gz OQNNRIKIUOBFAX-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN O=C(c1ccc(Br)cc1)c1ccccc1CN1CC=CC1 ZINC000002515887 563437127 /nfs/dbraw/zinc/43/71/27/563437127.db2.gz GKTJZOQKQJGUCD-UHFFFAOYSA-N 0 0 342.236 4.052 50 0 EIAARN CCC[C@@H](CCO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002530281 563439683 /nfs/dbraw/zinc/43/96/83/563439683.db2.gz GFZWISZGSINQLU-HNNXBMFYSA-N 0 0 339.435 4.076 50 0 EIAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1 ZINC000002532428 563439812 /nfs/dbraw/zinc/43/98/12/563439812.db2.gz YFBFCXHYATWCIU-UHFFFAOYSA-N 0 0 326.465 4.419 50 0 EIAARN Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CCCC2 ZINC000002558473 563441137 /nfs/dbraw/zinc/44/11/37/563441137.db2.gz LSFPSGQUWLRGNO-UHFFFAOYSA-N 0 0 340.370 4.480 50 0 EIAARN O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccc(F)cc1 ZINC000002615757 563444466 /nfs/dbraw/zinc/44/44/66/563444466.db2.gz YWSPMBFNJDQYKJ-UHFFFAOYSA-N 0 0 336.391 4.312 50 0 EIAARN Cc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(C)c(C)c1 ZINC000002698856 563446324 /nfs/dbraw/zinc/44/63/24/563446324.db2.gz ARFISIVYNPRIMR-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C)C2 ZINC000002738817 563447682 /nfs/dbraw/zinc/44/76/82/563447682.db2.gz HHNASYHRVVAVNK-NSHDSACASA-N 0 0 347.436 4.285 50 0 EIAARN Cc1ccc(C(C)C)c(OCCNC(=O)c2ccc3ccccc3n2)c1 ZINC000002812090 563451871 /nfs/dbraw/zinc/45/18/71/563451871.db2.gz UKKXOVZUUYOHRW-UHFFFAOYSA-N 0 0 348.446 4.475 50 0 EIAARN CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc2ccccc21 ZINC000002812248 563451877 /nfs/dbraw/zinc/45/18/77/563451877.db2.gz SPLCEHQRJNEPIC-UHFFFAOYSA-N 0 0 346.430 4.478 50 0 EIAARN CCOCCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002818629 563452571 /nfs/dbraw/zinc/45/25/71/563452571.db2.gz MPQOOHHUGJPTBM-SFHVURJKSA-N 0 0 329.465 4.063 50 0 EIAARN CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000002823022 563452983 /nfs/dbraw/zinc/45/29/83/563452983.db2.gz CCZVDFNMQNCWNS-UHFFFAOYSA-N 0 0 330.815 4.116 50 0 EIAARN CCCCc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 ZINC000002836996 563454003 /nfs/dbraw/zinc/45/40/03/563454003.db2.gz CVZCIKYRMHJVSS-UHFFFAOYSA-N 0 0 342.464 4.245 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000002839081 563454264 /nfs/dbraw/zinc/45/42/64/563454264.db2.gz LKIZNKWMYWPXKS-UHFFFAOYSA-N 0 0 339.178 4.044 50 0 EIAARN COCCCNC(=O)c1cc(-c2ccccc2)nc2c(C)cc(C)cc12 ZINC000002839706 563454292 /nfs/dbraw/zinc/45/42/92/563454292.db2.gz IVUFVCKUNRRGBS-UHFFFAOYSA-N 0 0 348.446 4.285 50 0 EIAARN COc1ccccc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000002850605 563455584 /nfs/dbraw/zinc/45/55/84/563455584.db2.gz HOFSWVXMVQPZEZ-UHFFFAOYSA-N 0 0 331.371 4.179 50 0 EIAARN CCCCCn1cc(C(=O)C(=O)NCc2ccccc2)c2ccccc21 ZINC000002875851 563459759 /nfs/dbraw/zinc/45/97/59/563459759.db2.gz XGGRNZWRVJYGJE-UHFFFAOYSA-N 0 0 348.446 4.331 50 0 EIAARN COc1ccc(NC(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000002877132 563460033 /nfs/dbraw/zinc/46/00/33/563460033.db2.gz OHMMHQMAAVTXKY-UHFFFAOYSA-N 0 0 349.434 4.377 50 0 EIAARN CC(=O)Nc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000002880082 563460679 /nfs/dbraw/zinc/46/06/79/563460679.db2.gz HUMZBSMIXUXDMC-CYBMUJFWSA-N 0 0 328.437 4.073 50 0 EIAARN COc1ccccc1OCCCOc1ccccc1Br ZINC000002904321 563462765 /nfs/dbraw/zinc/46/27/65/563462765.db2.gz RAOIILRYYQJGRU-UHFFFAOYSA-N 0 0 337.213 4.306 50 0 EIAARN CCc1ccc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000002953411 563464371 /nfs/dbraw/zinc/46/43/71/563464371.db2.gz LJYHOHKYQOSZPH-UHFFFAOYSA-N 0 0 333.815 4.237 50 0 EIAARN CCCCc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 ZINC000002979386 563465748 /nfs/dbraw/zinc/46/57/48/563465748.db2.gz HWHGFCODKQCZQM-UHFFFAOYSA-N 0 0 342.464 4.165 50 0 EIAARN O=c1c2ccccc2ncn1CCCOc1ccc(Cl)c(Cl)c1 ZINC000003002650 563469500 /nfs/dbraw/zinc/46/95/00/563469500.db2.gz HVNWSTZDPREJQC-UHFFFAOYSA-N 0 0 349.217 4.172 50 0 EIAARN O=C(NCCOc1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000003092232 563471789 /nfs/dbraw/zinc/47/17/89/563471789.db2.gz AHPJTHWGUHPCKX-UHFFFAOYSA-N 0 0 349.405 4.153 50 0 EIAARN CCOC(=O)[C@@H](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O ZINC000003136866 563474320 /nfs/dbraw/zinc/47/43/20/563474320.db2.gz BDLOPXJURDNJMB-HNNXBMFYSA-N 0 0 348.483 4.298 50 0 EIAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1Cl ZINC000003295382 563479312 /nfs/dbraw/zinc/47/93/12/563479312.db2.gz BCRFGADBBIQOOI-UHFFFAOYSA-N 0 0 326.783 4.404 50 0 EIAARN CC[C@@H](C)c1ccc(OCCCn2cnc3ccccc3c2=O)cc1 ZINC000003461022 563485319 /nfs/dbraw/zinc/48/53/19/563485319.db2.gz QGIAPDIXIDHOJM-MRXNPFEDSA-N 0 0 336.435 4.379 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F ZINC000003958660 563491791 /nfs/dbraw/zinc/49/17/91/563491791.db2.gz IYEIFZYXFMBFOB-UHFFFAOYSA-N 0 0 332.133 4.289 50 0 EIAARN CC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000003958832 563491861 /nfs/dbraw/zinc/49/18/61/563491861.db2.gz TYFBMKPBRKFICJ-UHFFFAOYSA-N 0 0 325.408 4.339 50 0 EIAARN CCCCCSc1nnc2c(n1)O[C@H](CC)Nc1ccccc1-2 ZINC000004123951 563495160 /nfs/dbraw/zinc/49/51/60/563495160.db2.gz MVFRDTPTAITCAA-CQSZACIVSA-N 0 0 330.457 4.361 50 0 EIAARN Cc1nc2ccccc2c(=O)n1N(c1ccccc1)c1ccccc1 ZINC000004147716 563495998 /nfs/dbraw/zinc/49/59/98/563495998.db2.gz BFNBKXZJCVZRKY-UHFFFAOYSA-N 0 0 327.387 4.306 50 0 EIAARN Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc(F)c2)S3)c1 ZINC000004268677 563498665 /nfs/dbraw/zinc/49/86/65/563498665.db2.gz LBGSPNZGLOXFFU-HNNXBMFYSA-N 0 0 339.395 4.270 50 0 EIAARN COCCOc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004322836 563500121 /nfs/dbraw/zinc/50/01/21/563500121.db2.gz QMCISHFQBQGFOY-UHFFFAOYSA-N 0 0 340.206 4.271 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004648683 563506502 /nfs/dbraw/zinc/50/65/02/563506502.db2.gz DBLJQYGNDSSYHP-UHFFFAOYSA-N 0 0 341.451 4.002 50 0 EIAARN CCC[C@@H](NS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004651017 563506510 /nfs/dbraw/zinc/50/65/10/563506510.db2.gz GWALBXYNXWJIGA-OFGIBPIPSA-N 0 0 347.524 4.350 50 0 EIAARN Cc1cc(Br)ccc1OCc1nnc(-c2ccccc2)o1 ZINC000004657198 563506871 /nfs/dbraw/zinc/50/68/71/563506871.db2.gz IJVPJTOXPCCXSG-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000004660356 563506948 /nfs/dbraw/zinc/50/69/48/563506948.db2.gz FVAOBAAJFRWURS-WDMOLILDSA-N 0 0 330.255 4.456 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000004655899 563506983 /nfs/dbraw/zinc/50/69/83/563506983.db2.gz PHINCLQPWUVXRA-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN COCCSc1ccccc1C(=O)NCc1ccccc1Cl ZINC000004723591 563509274 /nfs/dbraw/zinc/50/92/74/563509274.db2.gz SAVOCHJGHMWPGE-UHFFFAOYSA-N 0 0 335.856 4.009 50 0 EIAARN CCc1ccc([C@@H]2C(C(=O)OC)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004735533 563509674 /nfs/dbraw/zinc/50/96/74/563509674.db2.gz GGQIQDKNFLJLKB-LJQANCHMSA-N 0 0 347.418 4.061 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000004749707 563510010 /nfs/dbraw/zinc/51/00/10/563510010.db2.gz KNVOCVZOVURAIR-JTQLQIEISA-N 0 0 325.195 4.103 50 0 EIAARN Cc1c(C)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2oc1=O ZINC000004810457 563511572 /nfs/dbraw/zinc/51/15/72/563511572.db2.gz OHBMGXRBZNSQOA-UHFFFAOYSA-N 0 0 328.751 4.282 50 0 EIAARN COc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000004839720 563512712 /nfs/dbraw/zinc/51/27/12/563512712.db2.gz GDWFDXNYLMFZCQ-UHFFFAOYSA-N 0 0 346.180 4.456 50 0 EIAARN COc1ccc(C(=O)Nc2cccc3nc(C)ccc32)cc1Cl ZINC000004842287 563513044 /nfs/dbraw/zinc/51/30/44/563513044.db2.gz BVEVBEKPYZHDAM-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN O=C(Nc1nccs1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000004841570 563513137 /nfs/dbraw/zinc/51/31/37/563513137.db2.gz QCSMFHBJLKLJSD-UHFFFAOYSA-N 0 0 348.383 4.169 50 0 EIAARN CCCCOC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000004844826 563513492 /nfs/dbraw/zinc/51/34/92/563513492.db2.gz BGEHHSIVMHTJFD-QDHVZSLHSA-N 0 0 349.430 4.200 50 0 EIAARN Brc1cccc(-c2noc(COc3ccccc3)n2)c1 ZINC000004868380 563514245 /nfs/dbraw/zinc/51/42/45/563514245.db2.gz SKOFSYNJOWARPJ-UHFFFAOYSA-N 0 0 331.169 4.078 50 0 EIAARN O=C(Nc1cccc(NC(=O)c2cccc(F)c2)c1)c1cccs1 ZINC000004868804 563514288 /nfs/dbraw/zinc/51/42/88/563514288.db2.gz 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CCCCCCc1c(O)ccn(CCc2c[nH]c3ccccc23)c1=O ZINC000006592052 563573986 /nfs/dbraw/zinc/57/39/86/563573986.db2.gz XSBSUSVQEFJBKP-UHFFFAOYSA-N 0 0 338.451 4.401 50 0 EIAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000006667888 563577072 /nfs/dbraw/zinc/57/70/72/563577072.db2.gz DIEPYOCGHDPYPR-UHFFFAOYSA-N 0 0 339.844 4.156 50 0 EIAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NCc3cccnc3)c12 ZINC000006671733 563577826 /nfs/dbraw/zinc/57/78/26/563577826.db2.gz VGAXNNQADJDPFZ-UHFFFAOYSA-N 0 0 343.434 4.353 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)C[C@H]2C)cc1 ZINC000006714354 563581562 /nfs/dbraw/zinc/58/15/62/563581562.db2.gz WHWUYWZTOTZVFY-CQSZACIVSA-N 0 0 345.393 4.016 50 0 EIAARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1 ZINC000006729369 563583428 /nfs/dbraw/zinc/58/34/28/563583428.db2.gz QJTVSCFKGFIVGF-UHFFFAOYSA-N 0 0 341.798 4.052 50 0 EIAARN COc1ccc(-c2noc(-c3ccc(OC(C)C)cc3)n2)cc1OC ZINC000006743934 563584884 /nfs/dbraw/zinc/58/48/84/563584884.db2.gz WBINVHKNONUHED-UHFFFAOYSA-N 0 0 340.379 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Cc1cc(C)c2c(n1)sc(C1N=NC(=S)O1)c2-n1cccc1 ZINC000012446550 563661202 /nfs/dbraw/zinc/66/12/02/563661202.db2.gz TYFHSJIDDFTGEU-UHFFFAOYSA-N 0 0 328.422 4.043 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1C[C@H]1CCCO1 ZINC000012561358 563663062 /nfs/dbraw/zinc/66/30/62/563663062.db2.gz DNORKYIRALUIAA-CRAIPNDOSA-N 0 0 342.826 4.086 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)Nc2ncccc2C)cc1OCC ZINC000012632847 563666441 /nfs/dbraw/zinc/66/64/41/563666441.db2.gz FAQOGVPVDHULRU-UHFFFAOYSA-N 0 0 348.830 4.483 50 0 EIAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000012654052 563667128 /nfs/dbraw/zinc/66/71/28/563667128.db2.gz FVAYBXYOWYWNOP-UHFFFAOYSA-N 0 0 342.786 4.054 50 0 EIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC1CCCCCC1 ZINC000012792135 563671508 /nfs/dbraw/zinc/67/15/08/563671508.db2.gz AXSZEOUEULCKAL-UHFFFAOYSA-N 0 0 340.471 4.342 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccccc1Cl ZINC000012792368 563671943 /nfs/dbraw/zinc/67/19/43/563671943.db2.gz CPARJOKURCCIKM-UHFFFAOYSA-N 0 0 327.811 4.430 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CC(=O)Nc1cccc(C(=O)N(Cc2ccsc2)CC(C)C)c1 ZINC000055245509 563934161 /nfs/dbraw/zinc/93/41/61/563934161.db2.gz KEZKJRPRZCQUSB-UHFFFAOYSA-N 0 0 330.453 4.005 50 0 EIAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCSCC1 ZINC000055341519 563934452 /nfs/dbraw/zinc/93/44/52/563934452.db2.gz CGEMOWCFIUNUNK-UHFFFAOYSA-N 0 0 342.386 4.218 50 0 EIAARN Cn1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)cn1 ZINC000432998022 563935217 /nfs/dbraw/zinc/93/52/17/563935217.db2.gz OTJVQLCVELRUEK-OAHLLOKOSA-N 0 0 343.427 4.141 50 0 EIAARN Cc1csc(C(=O)NCC2(Sc3ccccc3)CCOCC2)c1 ZINC000096330965 563935375 /nfs/dbraw/zinc/93/53/75/563935375.db2.gz YDCDGWIQDSFIQM-UHFFFAOYSA-N 0 0 347.505 4.128 50 0 EIAARN O=[S@](Cc1cc(-c2ccccc2)on1)Cc1ccc(Cl)cc1 ZINC000057991576 563936148 /nfs/dbraw/zinc/93/61/48/563936148.db2.gz KEFMNRASUGSEHF-JOCHJYFZSA-N 0 0 331.824 4.444 50 0 EIAARN Cc1noc(C)c1NC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000058024132 563936814 /nfs/dbraw/zinc/93/68/14/563936814.db2.gz SHZVMNBZDCDTIH-UHFFFAOYSA-N 0 0 331.372 4.115 50 0 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338.477 4.246 50 0 EIAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1F ZINC000058172152 563938981 /nfs/dbraw/zinc/93/89/81/563938981.db2.gz UCPYPZLKERNLQO-UHFFFAOYSA-N 0 0 340.276 4.055 50 0 EIAARN CCc1nc(CN(C)C(=O)Nc2ccccc2C(F)(F)F)cs1 ZINC000058201892 563939654 /nfs/dbraw/zinc/93/96/54/563939654.db2.gz KUMFLTWPZVVLSX-UHFFFAOYSA-N 0 0 343.374 4.388 50 0 EIAARN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1oc2ccccc2c1C ZINC000058202914 563939772 /nfs/dbraw/zinc/93/97/72/563939772.db2.gz SVGRRWLIUITNAZ-UHFFFAOYSA-N 0 0 344.317 4.230 50 0 EIAARN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc3[nH]ccc32)c1 ZINC000058218352 563940178 /nfs/dbraw/zinc/94/01/78/563940178.db2.gz BLGRQINMYLHBOA-MLGOLLRUSA-N 0 0 333.391 4.015 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000058222816 563940299 /nfs/dbraw/zinc/94/02/99/563940299.db2.gz OTVKYHQXDVODCK-LBPRGKRZSA-N 0 0 328.412 4.355 50 0 EIAARN CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000058228959 563940474 /nfs/dbraw/zinc/94/04/74/563940474.db2.gz 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/nfs/dbraw/zinc/94/42/44/563944244.db2.gz ZQRYLFZVISMCLK-UHFFFAOYSA-N 0 0 345.446 4.478 50 0 EIAARN O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccccc1Cl ZINC000058377975 563944269 /nfs/dbraw/zinc/94/42/69/563944269.db2.gz WNHAPUWGABFQNU-UHFFFAOYSA-N 0 0 347.805 4.353 50 0 EIAARN Cn1ccnc1[C@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000058411548 563945251 /nfs/dbraw/zinc/94/52/51/563945251.db2.gz SYEOGWZKYSPBJK-MRXNPFEDSA-N 0 0 340.496 4.053 50 0 EIAARN C[C@@H](CC[C@@H]1CCCO1)NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000058417629 563945492 /nfs/dbraw/zinc/94/54/92/563945492.db2.gz STAQJLYYZSFGBZ-HOCLYGCPSA-N 0 0 336.435 4.399 50 0 EIAARN O=C(/C=C/c1cccc2cccnc12)NC[C@@H]1CCCc2ccccc21 ZINC000058416471 563945507 /nfs/dbraw/zinc/94/55/07/563945507.db2.gz GTJLONVLCIEGTK-AIGDTVQASA-N 0 0 342.442 4.484 50 0 EIAARN O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000058427561 563946102 /nfs/dbraw/zinc/94/61/02/563946102.db2.gz CAAFPJWAWHRRBU-LJQANCHMSA-N 0 0 347.393 4.260 50 0 EIAARN Cc1cc(OC(C)C)ccc1NC(=O)N1CCC(n2cccc2)CC1 ZINC000058632087 563947069 /nfs/dbraw/zinc/94/70/69/563947069.db2.gz GOOLZIIBZRYPEX-UHFFFAOYSA-N 0 0 341.455 4.453 50 0 EIAARN CC(C)OCc1cccc(NC(=O)N2CCC(n3cccc3)CC2)c1 ZINC000058644982 563947088 /nfs/dbraw/zinc/94/70/88/563947088.db2.gz KUHZOZQTAXNKRG-UHFFFAOYSA-N 0 0 341.455 4.282 50 0 EIAARN CC(C)c1ccc(C[S@](=O)Cc2nc(-c3cccs3)no2)cc1 ZINC000066296684 563950032 /nfs/dbraw/zinc/95/00/32/563950032.db2.gz ARVJBLBWBCGNBW-HSZRJFAPSA-N 0 0 346.477 4.370 50 0 EIAARN CCCc1noc([C@H](C)Nc2ccc(OC3CCOCC3)c(C)c2)n1 ZINC000096415090 563951051 /nfs/dbraw/zinc/95/10/51/563951051.db2.gz JYIYKSRGYMODHC-AWEZNQCLSA-N 0 0 345.443 4.061 50 0 EIAARN CC[C@@H](c1ccncc1)N(C)C(=O)NCc1csc(C(C)(C)C)n1 ZINC000096415397 563951222 /nfs/dbraw/zinc/95/12/22/563951222.db2.gz QDNJZKQPCZLHJW-HNNXBMFYSA-N 0 0 346.500 4.128 50 0 EIAARN Cc1cccc(NC2CCN(C(=O)Nc3cccnc3Cl)CC2)c1 ZINC000096421379 563951557 /nfs/dbraw/zinc/95/15/57/563951557.db2.gz QBEGBQZDIKOMOO-UHFFFAOYSA-N 0 0 344.846 4.152 50 0 EIAARN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2cscn2)o1 ZINC000096433266 563952825 /nfs/dbraw/zinc/95/28/25/563952825.db2.gz BQEKFOZILFVDTB-CJNGLKHVSA-N 0 0 332.469 4.231 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)N[C@@H](CC)c2ccncc2)c1 ZINC000096434146 563952929 /nfs/dbraw/zinc/95/29/29/563952929.db2.gz CZJPWDSPSPTFSI-KRWDZBQOSA-N 0 0 340.427 4.093 50 0 EIAARN COc1c(Cl)cccc1NC(=O)N[C@@H](c1nccs1)C1CC1 ZINC000096434298 563952998 /nfs/dbraw/zinc/95/29/98/563952998.db2.gz RYHPDJRYTLUQRL-GFCCVEGCSA-N 0 0 337.832 4.078 50 0 EIAARN Cc1cc(C(=O)N2CCCC2)ccc1NCc1ncc(C(C)(C)C)o1 ZINC000096450119 563953651 /nfs/dbraw/zinc/95/36/51/563953651.db2.gz AELPQZQXYZWYQX-UHFFFAOYSA-N 0 0 341.455 4.129 50 0 EIAARN CC[C@@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1cccs1 ZINC000096474155 563954889 /nfs/dbraw/zinc/95/48/89/563954889.db2.gz MPPUJKYAEABUDZ-OLZOCXBDSA-N 0 0 336.482 4.044 50 0 EIAARN O=S(=O)(Cc1ccccc1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000064984049 563957386 /nfs/dbraw/zinc/95/73/86/563957386.db2.gz LWCIBSBCHNYPPP-LJQANCHMSA-N 0 0 347.455 4.273 50 0 EIAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2F)cc1 ZINC000064984242 563957409 /nfs/dbraw/zinc/95/74/09/563957409.db2.gz LQXXAZDGKYHHPZ-SFHVURJKSA-N 0 0 347.455 4.440 50 0 EIAARN COc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 ZINC000065363649 563958175 /nfs/dbraw/zinc/95/81/75/563958175.db2.gz ICKUXSKLEHQDKE-UHFFFAOYSA-N 0 0 349.394 4.181 50 0 EIAARN CC(C)(C)Cc1c(-c2ccccc2)ncn1C[C@H](O)c1cccnc1 ZINC000065373714 563958790 /nfs/dbraw/zinc/95/87/90/563958790.db2.gz DJGHQQCRKUJOME-IBGZPJMESA-N 0 0 335.451 4.267 50 0 EIAARN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2c(Cl)ccc(C)c2F)C1 ZINC000065380451 563958910 /nfs/dbraw/zinc/95/89/10/563958910.db2.gz UMBKMJPZMQJJHA-YUELXQCFSA-N 0 0 327.827 4.168 50 0 EIAARN CC(C)C(=O)c1ccc(-c2ccccc2CN2CCOCC2)s1 ZINC000065383822 563959122 /nfs/dbraw/zinc/95/91/22/563959122.db2.gz ZOOZJCYZCRGWAJ-UHFFFAOYSA-N 0 0 329.465 4.086 50 0 EIAARN COc1ccc(OCCN2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000065459490 563961183 /nfs/dbraw/zinc/96/11/83/563961183.db2.gz UUQHSVTYLYJYFM-SFHVURJKSA-N 0 0 330.428 4.023 50 0 EIAARN COCC1(Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)CC1 ZINC000065506622 563961717 /nfs/dbraw/zinc/96/17/17/563961717.db2.gz XPGUCISKHSFYAE-UHFFFAOYSA-N 0 0 334.419 4.349 50 0 EIAARN CC(=O)Nc1cc(NC(=O)COc2ccccc2C(C)C)ccc1C ZINC000066185050 563962161 /nfs/dbraw/zinc/96/21/61/563962161.db2.gz BSEJVICDEAXAKP-UHFFFAOYSA-N 0 0 340.423 4.094 50 0 EIAARN Cc1ncn(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)n1 ZINC000067649143 563962417 /nfs/dbraw/zinc/96/24/17/563962417.db2.gz HFYCIOZKGCDBTG-UHFFFAOYSA-N 0 0 346.390 4.391 50 0 EIAARN CCCC(=O)Nc1cc(-c2n[nH]c(CCc3ccccc3)n2)ccc1C ZINC000067691646 563962487 /nfs/dbraw/zinc/96/24/87/563962487.db2.gz CTXWPLXNYMWOQO-UHFFFAOYSA-N 0 0 348.450 4.304 50 0 EIAARN COc1ccc(-c2nc(Cn3ccnc3C(C)C)c(C)o2)c(F)c1 ZINC000067842870 563962866 /nfs/dbraw/zinc/96/28/66/563962866.db2.gz PKQVTVJZAVBHNF-UHFFFAOYSA-N 0 0 329.375 4.166 50 0 EIAARN COc1ccc(-c2nc(Cn3cc(C)nc3C)c(C)o2)c(C)c1C ZINC000067921073 563963113 /nfs/dbraw/zinc/96/31/13/563963113.db2.gz SBJUUUOBLXCMKJ-UHFFFAOYSA-N 0 0 325.412 4.137 50 0 EIAARN COc1ccc(F)c(-c2nc(COc3cccnc3C)c(C)o2)c1 ZINC000067973740 563963143 /nfs/dbraw/zinc/96/31/43/563963143.db2.gz FOZAOIAKPRGEGK-UHFFFAOYSA-N 0 0 328.343 4.080 50 0 EIAARN CCOc1ccccc1C(=O)Nc1ncccc1OCc1ccccc1 ZINC000068732603 563963336 /nfs/dbraw/zinc/96/33/36/563963336.db2.gz QUKUMGZXHYOSKK-UHFFFAOYSA-N 0 0 348.402 4.312 50 0 EIAARN Cc1cc(C)cc(NC(=S)N(Cc2cccc(O)c2)C2CC2)c1 ZINC000060432981 563963536 /nfs/dbraw/zinc/96/35/36/563963536.db2.gz VCAKLRFRDLFDNH-UHFFFAOYSA-N 0 0 326.465 4.370 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1(C)C ZINC000089914106 563963898 /nfs/dbraw/zinc/96/38/98/563963898.db2.gz LZVFXEKVYBHOGS-GXTWGEPZSA-N 0 0 326.362 4.387 50 0 EIAARN CC[C@H](C(=O)Nc1nnc(CC2CCCC2)s1)c1ccccc1 ZINC000000028420 563964037 /nfs/dbraw/zinc/96/40/37/563964037.db2.gz YNSVFQBJZPHKJW-HNNXBMFYSA-N 0 0 329.469 4.403 50 0 EIAARN CCCCCC[C@@H](C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000004699261 563964750 /nfs/dbraw/zinc/96/47/50/563964750.db2.gz IAYSTBNJYFOZCQ-OAHLLOKOSA-N 0 0 340.508 4.109 50 0 EIAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1occ2c1OCCO2 ZINC000004708336 563965908 /nfs/dbraw/zinc/96/59/08/563965908.db2.gz OKHYKIQYSUMUKU-UHFFFAOYSA-N 0 0 336.347 4.047 50 0 EIAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)/C=C\c1nc2ccccc2o1 ZINC000096973100 563966578 /nfs/dbraw/zinc/96/65/78/563966578.db2.gz MEZLKCNIPXLNTC-PRDAAYKISA-N 0 0 342.345 4.339 50 0 EIAARN Cc1ccc([C@H](NC(=O)COc2ccc(Cl)cc2)C2CC2)cc1 ZINC000011234067 563966649 /nfs/dbraw/zinc/96/66/49/563966649.db2.gz UZMGNSQAWSTKRE-IBGZPJMESA-N 0 0 329.827 4.295 50 0 EIAARN CCC[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000011238849 563967118 /nfs/dbraw/zinc/96/71/18/563967118.db2.gz KAKOHRJRLAKHDK-OAHLLOKOSA-N 0 0 327.453 4.214 50 0 EIAARN COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2OC)o1 ZINC000097094893 563967419 /nfs/dbraw/zinc/96/74/19/563967419.db2.gz WEHCDLFEEPTDJB-INIZCTEOSA-N 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BPQIBUYZHRXTIQ-NSHDSACASA-N 0 0 330.255 4.256 50 0 EIAARN O=C(c1n[nH]c2ccccc21)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000011265101 563971007 /nfs/dbraw/zinc/97/10/07/563971007.db2.gz QEISPYIOBWALKM-UHFFFAOYSA-N 0 0 344.418 4.064 50 0 EIAARN CC[C@@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(C)cc1 ZINC000011266542 563971048 /nfs/dbraw/zinc/97/10/48/563971048.db2.gz HWWVDTCGWMCXKM-UXHICEINSA-N 0 0 340.442 4.195 50 0 EIAARN Brc1c2nsnc2c(Br)c2ccccc12 ZINC000081991175 563971954 /nfs/dbraw/zinc/97/19/54/563971954.db2.gz XGTQHVQKGZSPIK-UHFFFAOYSA-N 0 0 344.031 4.370 50 0 EIAARN CC[C@H](c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1 ZINC000082087868 563972056 /nfs/dbraw/zinc/97/20/56/563972056.db2.gz KHONZDHTUSDFQW-OAHLLOKOSA-N 0 0 348.809 4.084 50 0 EIAARN COc1cccc(F)c1C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000082107035 563972298 /nfs/dbraw/zinc/97/22/98/563972298.db2.gz OBXCXJQFZMRYAT-UHFFFAOYSA-N 0 0 345.389 4.068 50 0 EIAARN CCc1nc(C)c(C(=O)N2CCCC[C@@H]2CCc2cccs2)o1 ZINC000082135164 563972597 /nfs/dbraw/zinc/97/25/97/563972597.db2.gz KKNALJLDYGYVBK-CQSZACIVSA-N 0 0 332.469 4.234 50 0 EIAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(F)c(F)c1 ZINC000011286073 563973178 /nfs/dbraw/zinc/97/31/78/563973178.db2.gz HWQXVGOZRBKDQO-UHFFFAOYSA-N 0 0 329.302 4.285 50 0 EIAARN Cc1ccc2c(COC(=O)CCCc3cccs3)cc(=O)oc2c1 ZINC000011318259 563973323 /nfs/dbraw/zinc/97/33/23/563973323.db2.gz JEQHZOIISLSKOY-UHFFFAOYSA-N 0 0 342.416 4.229 50 0 EIAARN Cc1ccc(CSc2ncc(CO)n2Cc2ccc(F)cc2)cc1 ZINC000004754898 563973330 /nfs/dbraw/zinc/97/33/30/563973330.db2.gz NFPAKGUMFOSFDN-UHFFFAOYSA-N 0 0 342.439 4.164 50 0 EIAARN Cc1cccc(C)c1NC(=O)N[C@@H](c1ccccc1)C(C)(C)CO ZINC000585140283 563973383 /nfs/dbraw/zinc/97/33/83/563973383.db2.gz BBWNBEOWCBFYOD-SFHVURJKSA-N 0 0 326.440 4.185 50 0 EIAARN O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000085651272 563973903 /nfs/dbraw/zinc/97/39/03/563973903.db2.gz ICTUXUMKIGBACQ-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN Cc1cc(C(=O)N2CCC(c3nc4c(cccc4C)[nH]3)CC2)cs1 ZINC000091650626 563975622 /nfs/dbraw/zinc/97/56/22/563975622.db2.gz NSGLUZXAOPVNQF-UHFFFAOYSA-N 0 0 339.464 4.261 50 0 EIAARN CC(C)n1ccnc1C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000091663306 563975637 /nfs/dbraw/zinc/97/56/37/563975637.db2.gz TTYLISVQSOYQOS-UHFFFAOYSA-N 0 0 349.837 4.276 50 0 EIAARN Cc1ncsc1CCCNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000091755443 563975743 /nfs/dbraw/zinc/97/57/43/563975743.db2.gz RIEAUTVIXHTFQC-UHFFFAOYSA-N 0 0 332.513 4.107 50 0 EIAARN Cc1cc2cc(C(=O)NCc3ccc(-c4noc(C)n4)cc3)ccc2o1 ZINC000091964640 563975930 /nfs/dbraw/zinc/97/59/30/563975930.db2.gz ZGHNXFUUHMQFBW-UHFFFAOYSA-N 0 0 347.374 4.030 50 0 EIAARN COc1ccc(-c2cc(CSc3nc(C)c(C)c(C)n3)on2)cc1 ZINC000011423877 563976100 /nfs/dbraw/zinc/97/61/00/563976100.db2.gz DVGWUJNWLAFXPO-UHFFFAOYSA-N 0 0 341.436 4.358 50 0 EIAARN Cc1nc2sc(C(=O)N(C)c3ccccc3)c(N)c2c(C)c1Cl ZINC000000109087 563976345 /nfs/dbraw/zinc/97/63/45/563976345.db2.gz MMBMEMPFSOYQDC-UHFFFAOYSA-N 0 0 345.855 4.425 50 0 EIAARN CCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000004815032 563976372 /nfs/dbraw/zinc/97/63/72/563976372.db2.gz JKKNLEXRYRIDQC-RTBURBONSA-N 0 0 346.434 4.064 50 0 EIAARN CC(C)c1csc(CNC(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000133679018 563976379 /nfs/dbraw/zinc/97/63/79/563976379.db2.gz RAGWWUKYEMSCSX-UHFFFAOYSA-N 0 0 346.349 4.354 50 0 EIAARN COc1ccc(C(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 ZINC000000091854 563976563 /nfs/dbraw/zinc/97/65/63/563976563.db2.gz DRJGXWBJXIMNCY-UHFFFAOYSA-N 0 0 346.839 4.388 50 0 EIAARN Cc1cccc(NC(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)c1 ZINC000095528519 563977505 /nfs/dbraw/zinc/97/75/05/563977505.db2.gz BRUSDRBJFXVKNK-QGZVFWFLSA-N 0 0 338.455 4.013 50 0 EIAARN O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072292897 563977614 /nfs/dbraw/zinc/97/76/14/563977614.db2.gz PKACCFLIOCAQCS-KDOFPFPSSA-N 0 0 339.414 4.236 50 0 EIAARN O=C(Nc1ccnc(Br)c1)c1c(Cl)cccc1Cl ZINC000095698497 563977623 /nfs/dbraw/zinc/97/76/23/563977623.db2.gz NTNKCFPYYPNMJN-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN CCCN(CC1CC1)C(=O)Nc1cccc(-c2nnc(C)s2)c1 ZINC000096147943 563979569 /nfs/dbraw/zinc/97/95/69/563979569.db2.gz PCCWPWHHLQBMHE-UHFFFAOYSA-N 0 0 330.457 4.167 50 0 EIAARN Cn1cnc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cc21 ZINC000096152114 563979708 /nfs/dbraw/zinc/97/97/08/563979708.db2.gz MAQBAMFBXLOXFD-MRXNPFEDSA-N 0 0 338.411 4.316 50 0 EIAARN COc1ccc(-c2ccc([C@@H](C)NC(C)=O)cc2)c2ccc(C)nc12 ZINC000096161900 563979850 /nfs/dbraw/zinc/97/98/50/563979850.db2.gz DUFALGCJFZXCNM-CQSZACIVSA-N 0 0 334.419 4.416 50 0 EIAARN Cc1ccnc([C@@H](NC(=O)Nc2cc3nc[nH]c3c(C)c2C)C2CC2)c1 ZINC000096162668 563979874 /nfs/dbraw/zinc/97/98/74/563979874.db2.gz ONKFYYUBWCEFGG-IBGZPJMESA-N 0 0 349.438 4.156 50 0 EIAARN CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2ccco2)cc1 ZINC000096165758 563979953 /nfs/dbraw/zinc/97/99/53/563979953.db2.gz XQXRBUDUGMLRNI-QGZVFWFLSA-N 0 0 328.412 4.370 50 0 EIAARN O=C(NCCc1cnn(-c2ccccc2)c1)c1cc2ccccc2s1 ZINC000011556205 563980323 /nfs/dbraw/zinc/98/03/23/563980323.db2.gz INZZEYQVUIYQNG-UHFFFAOYSA-N 0 0 347.443 4.060 50 0 EIAARN Cc1cc2ncn(S(=O)(=O)c3cccc4ccccc43)c2cc1C ZINC000096305789 563980715 /nfs/dbraw/zinc/98/07/15/563980715.db2.gz MDDKQIDPICIDMP-UHFFFAOYSA-N 0 0 336.416 4.043 50 0 EIAARN CCCc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000096319042 563980730 /nfs/dbraw/zinc/98/07/30/563980730.db2.gz ZIWQGWXHFCLYOY-UHFFFAOYSA-N 0 0 341.430 4.132 50 0 EIAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000011571395 563980829 /nfs/dbraw/zinc/98/08/29/563980829.db2.gz GQQNXUQSSVXUDO-UHFFFAOYSA-N 0 0 347.418 4.101 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000011594528 563981205 /nfs/dbraw/zinc/98/12/05/563981205.db2.gz ALQAFDBAPNSFSW-UHFFFAOYSA-N 0 0 331.347 4.065 50 0 EIAARN CCC[C@H](NC(=O)[C@H](C)Sc1nccn1CC)c1ccccc1 ZINC000011605688 563981228 /nfs/dbraw/zinc/98/12/28/563981228.db2.gz BVWUNRLHANITHJ-HOCLYGCPSA-N 0 0 331.485 4.041 50 0 EIAARN Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@H](C)c1ccsc1 ZINC000072950277 563981423 /nfs/dbraw/zinc/98/14/23/563981423.db2.gz QZBLTHDJVJHCGI-LBPRGKRZSA-N 0 0 342.424 4.032 50 0 EIAARN Cc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1 ZINC000000098547 563981426 /nfs/dbraw/zinc/98/14/26/563981426.db2.gz BRFNNFOBPOZNQN-XNTDXEJSSA-N 0 0 342.192 4.102 50 0 EIAARN Cc1nnc(NC(=O)c2ccccc2Nc2cccc(C)c2C)s1 ZINC000011639918 563981538 /nfs/dbraw/zinc/98/15/38/563981538.db2.gz IEOJUNXFDNDKJH-UHFFFAOYSA-N 0 0 338.436 4.459 50 0 EIAARN Cc1cc([C@H]2CCCCN2Cc2c[nH]nc2-c2cccc(F)c2)no1 ZINC000097480152 563981578 /nfs/dbraw/zinc/98/15/78/563981578.db2.gz JPSTWVDOMSOURG-GOSISDBHSA-N 0 0 340.402 4.239 50 0 EIAARN CC(C)c1ncc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cn1 ZINC000097631887 563981756 /nfs/dbraw/zinc/98/17/56/563981756.db2.gz ILJCVVKXTLMDKK-UHFFFAOYSA-N 0 0 329.831 4.063 50 0 EIAARN CO[C@@H](C)c1nc(COc2ccc(C(C)=O)cc2Cl)cs1 ZINC000119555807 563982610 /nfs/dbraw/zinc/98/26/10/563982610.db2.gz MVGYZTFCMIUUNQ-JTQLQIEISA-N 0 0 325.817 4.286 50 0 EIAARN FC(F)(F)c1ccc([C@H]2CC(c3ccccc3)=Nc3ncnn32)cc1 ZINC000100716280 563982722 /nfs/dbraw/zinc/98/27/22/563982722.db2.gz HAVIERNSKBMMJW-MRXNPFEDSA-N 0 0 342.324 4.353 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)CN3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000014075315 563983142 /nfs/dbraw/zinc/98/31/42/563983142.db2.gz BYNFQBLCVCLNCF-HUUCEWRRSA-N 0 0 343.496 4.035 50 0 EIAARN C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(-c2ccccc2)cc1 ZINC000014215872 563983455 /nfs/dbraw/zinc/98/34/55/563983455.db2.gz CWOBJTYVSVVWQC-CQSZACIVSA-N 0 0 329.407 4.203 50 0 EIAARN Cc1cccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000000101434 563983831 /nfs/dbraw/zinc/98/38/31/563983831.db2.gz JZZNNPRFLSRFRI-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN Cc1ccc(CCCC(=O)Nc2ccc(-c3c[nH]cn3)cc2)s1 ZINC000257173042 563984187 /nfs/dbraw/zinc/98/41/87/563984187.db2.gz BLCXHDXVCVXVAE-UHFFFAOYSA-N 0 0 325.437 4.408 50 0 EIAARN O=C(Nc1cccc(F)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000014427803 563984197 /nfs/dbraw/zinc/98/41/97/563984197.db2.gz MZEWPJRLGZYBQB-UHFFFAOYSA-N 0 0 329.302 4.389 50 0 EIAARN Cc1cc(Nc2cccc(Cl)c2)n2nc(-c3ccccc3)nc2n1 ZINC000014610221 563986140 /nfs/dbraw/zinc/98/61/40/563986140.db2.gz HQSJBBKORRAVMZ-UHFFFAOYSA-N 0 0 335.798 4.497 50 0 EIAARN CN1CCN(C(=O)Nc2cccc3ccccc32)[C@H](c2ccccc2)C1 ZINC000085468164 563986347 /nfs/dbraw/zinc/98/63/47/563986347.db2.gz FPIAYDOOQSMISZ-NRFANRHFSA-N 0 0 345.446 4.360 50 0 EIAARN CC[C@H](C)NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000110829 563986630 /nfs/dbraw/zinc/98/66/30/563986630.db2.gz FKTMCTAFNMWWPV-QMMMGPOBSA-N 0 0 327.211 4.485 50 0 EIAARN Cc1cc(NC(=S)NC2CCCCC2)ccc1Br ZINC000000110345 563986638 /nfs/dbraw/zinc/98/66/38/563986638.db2.gz AWRPXTSAWIUVMQ-UHFFFAOYSA-N 0 0 327.291 4.377 50 0 EIAARN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000131936 563986987 /nfs/dbraw/zinc/98/69/87/563986987.db2.gz HXVAVRYBUADPFA-ZHACJKMWSA-N 0 0 343.810 4.152 50 0 EIAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2cnc3ccccc3c2)n1 ZINC000178568634 563987227 /nfs/dbraw/zinc/98/72/27/563987227.db2.gz MHOXEQHDGPMNKM-IBGZPJMESA-N 0 0 332.407 4.307 50 0 EIAARN C[C@@H](CC(=O)N(C)c1ccccn1)c1ccc(Br)cc1 ZINC000158310101 563987515 /nfs/dbraw/zinc/98/75/15/563987515.db2.gz RSRFNKFQBZGQNT-LBPRGKRZSA-N 0 0 333.229 4.001 50 0 EIAARN COc1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCCC2)cc1 ZINC000000169301 563987532 /nfs/dbraw/zinc/98/75/32/563987532.db2.gz FDQKQZXEGPCBBA-SDNWHVSQSA-N 0 0 335.447 4.337 50 0 biogenic EIAARN Clc1cccc(-n2ncnc2-c2cccc(Br)c2)c1 ZINC000000180965 563987845 /nfs/dbraw/zinc/98/78/45/563987845.db2.gz SHVGTMHUTDQOAI-UHFFFAOYSA-N 0 0 334.604 4.350 50 0 EIAARN CCN1c2ccc(NC(=O)c3ccc(C)cc3)c3cccc(c23)C1=O ZINC000000181095 563987879 /nfs/dbraw/zinc/98/78/79/563987879.db2.gz KGRRICPLDGATOM-UHFFFAOYSA-N 0 0 330.387 4.381 50 0 EIAARN O=C(NC[C@@H]1CCCO1)c1sc2cccc(Cl)c2c1Cl ZINC000000184711 563987944 /nfs/dbraw/zinc/98/79/44/563987944.db2.gz OAKLZIWVSSWBIH-QMMMGPOBSA-N 0 0 330.236 4.117 50 0 EIAARN Cc1cccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)O2)c1 ZINC000000197221 563988253 /nfs/dbraw/zinc/98/82/53/563988253.db2.gz HKVVEBWAQVGCON-XNTDXEJSSA-N 0 0 342.192 4.102 50 0 EIAARN CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 ZINC000004844116 563988320 /nfs/dbraw/zinc/98/83/20/563988320.db2.gz PZHDWFPWEPUINQ-QRWLVFNGSA-N 0 0 336.435 4.316 50 0 EIAARN Cn1cc(CCC(=O)NCc2ccc(F)cc2Cl)c2ccccc21 ZINC000000218389 563988736 /nfs/dbraw/zinc/98/87/36/563988736.db2.gz BCZLLPQHFYJILN-UHFFFAOYSA-N 0 0 344.817 4.220 50 0 EIAARN Fc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000000222274 563988860 /nfs/dbraw/zinc/98/88/60/563988860.db2.gz JOJOFTRONHMCLV-CVEARBPZSA-N 0 0 328.778 4.217 50 0 EIAARN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000000246339 563989362 /nfs/dbraw/zinc/98/93/62/563989362.db2.gz ADZLVMLREIHPHR-OAQYLSRUSA-N 0 0 334.463 4.239 50 0 EIAARN CCN(C(=S)Nc1ccsc1C(=O)OC)c1cccc(C)c1 ZINC000000248861 563989440 /nfs/dbraw/zinc/98/94/40/563989440.db2.gz CRESCGMYZZIZAW-UHFFFAOYSA-N 0 0 334.466 4.066 50 0 EIAARN COc1ccc(Oc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000000119451 563989497 /nfs/dbraw/zinc/98/94/97/563989497.db2.gz WGRFFXNIDWYQRL-UHFFFAOYSA-N 0 0 329.359 4.493 50 0 EIAARN CC(=O)O[C@@H]1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)C1(C)C ZINC000000118698 563989523 /nfs/dbraw/zinc/98/95/23/563989523.db2.gz UAUUBSHOVAJNJQ-RTBURBONSA-N 0 0 339.391 4.213 50 0 EIAARN Cc1ccc(-c2csc3ncn(CC(=O)C(C)(C)C)c(=O)c23)cc1 ZINC000000257454 563989583 /nfs/dbraw/zinc/98/95/83/563989583.db2.gz CDZVJLMUHSUHDP-UHFFFAOYSA-N 0 0 340.448 4.049 50 0 EIAARN O=C(CSCc1cccc(F)c1)NCCc1ccc(Cl)cc1 ZINC000000260403 563989913 /nfs/dbraw/zinc/98/99/13/563989913.db2.gz IBVPODBUKZRJBR-UHFFFAOYSA-N 0 0 337.847 4.071 50 0 EIAARN Cc1ccc(C)c(-c2csc(NC(=O)COc3ccccc3)n2)c1 ZINC000000356055 563991601 /nfs/dbraw/zinc/99/16/01/563991601.db2.gz MAZWESFTXJCICO-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000024050066 563991618 /nfs/dbraw/zinc/99/16/18/563991618.db2.gz WYFAWZJLZJUTDF-UHFFFAOYSA-N 0 0 347.296 4.023 50 0 EIAARN C[C@@H](C[C@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000000376858 563991886 /nfs/dbraw/zinc/99/18/86/563991886.db2.gz WEGRZIRJQQGVAM-UWVGGRQHSA-N 0 0 344.238 4.300 50 0 EIAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000004854178 563992093 /nfs/dbraw/zinc/99/20/93/563992093.db2.gz MZWSPCBBVRCGSV-HXUWFJFHSA-N 0 0 331.419 4.434 50 0 EIAARN Cc1occc1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000060949255 563992136 /nfs/dbraw/zinc/99/21/36/563992136.db2.gz MFPRUQAZJXRKFY-UHFFFAOYSA-N 0 0 343.452 4.160 50 0 EIAARN Cc1nc(-c2ccccc2)oc1C(=O)N(CC1CC1)c1cccnc1 ZINC000135571062 563992207 /nfs/dbraw/zinc/99/22/07/563992207.db2.gz AFSNYAUAGHWJJS-UHFFFAOYSA-N 0 0 333.391 4.102 50 0 EIAARN CC[C@]1(C)N=C(c2ccccc2)C(=S)N1C(=O)c1ccc(F)cc1 ZINC000004890974 563992285 /nfs/dbraw/zinc/99/22/85/563992285.db2.gz IKSBVSGIUMCSGY-LJQANCHMSA-N 0 0 340.423 4.224 50 0 EIAARN Cc1cc2cc(CNC(=S)Nc3cccc(F)c3)ccc2n1C ZINC000004925093 563992572 /nfs/dbraw/zinc/99/25/72/563992572.db2.gz ZLMQMKXWXDVAKQ-UHFFFAOYSA-N 0 0 327.428 4.112 50 0 EIAARN Cc1ccc2oc(=O)c3cc(C(=O)NC4CCCCC4)sc3c2c1 ZINC000004939275 563992635 /nfs/dbraw/zinc/99/26/35/563992635.db2.gz XLBUKLPZBXXVCQ-UHFFFAOYSA-N 0 0 341.432 4.379 50 0 EIAARN Cc1ccc2oc(=O)c3cc(C(=O)NCCC(C)C)sc3c2c1 ZINC000004939437 563992673 /nfs/dbraw/zinc/99/26/73/563992673.db2.gz GUEDOEHHGDLLNT-UHFFFAOYSA-N 0 0 329.421 4.092 50 0 EIAARN CCN(C(=O)C[C@H]1CCOC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000408512945 563992715 /nfs/dbraw/zinc/99/27/15/563992715.db2.gz GRVYLEDUTATSLS-IIBYNOLFSA-N 0 0 341.426 4.190 50 0 EIAARN Cc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc1O ZINC000408513626 563992755 /nfs/dbraw/zinc/99/27/55/563992755.db2.gz CYIDHMKPMWNQBH-GFCCVEGCSA-N 0 0 341.436 4.010 50 0 EIAARN Cc1c(C(=O)Nc2ccc(-c3ncco3)cc2C)cnn1CC(C)C ZINC000408517292 563992876 /nfs/dbraw/zinc/99/28/76/563992876.db2.gz FQSNHFAKRGSUGO-UHFFFAOYSA-N 0 0 338.411 4.063 50 0 EIAARN CN(Cc1ccccc1NC(=O)NCc1cccnc1)c1ccccc1 ZINC000408515058 563992983 /nfs/dbraw/zinc/99/29/83/563992983.db2.gz AZDYKGGKXOIBTL-UHFFFAOYSA-N 0 0 346.434 4.040 50 0 EIAARN Fc1ccccc1Cn1cccc1C1=N[C@H](Cc2ccccc2)CO1 ZINC000004970463 563993479 /nfs/dbraw/zinc/99/34/79/563993479.db2.gz PLBNBDSJHKHWHQ-GOSISDBHSA-N 0 0 334.394 4.064 50 0 EIAARN CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1OC ZINC000005035306 563993982 /nfs/dbraw/zinc/99/39/82/563993982.db2.gz YWAHCUYQCNNFHW-UHFFFAOYSA-N 0 0 338.363 4.042 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(C)s1 ZINC000005054250 563994110 /nfs/dbraw/zinc/99/41/10/563994110.db2.gz UVRYWZFXRRKIKS-WDEREUQCSA-N 0 0 335.498 4.479 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1nc2ccccc2s1 ZINC000005062671 563994142 /nfs/dbraw/zinc/99/41/42/563994142.db2.gz CIJCSNHYAHRNAI-OLZOCXBDSA-N 0 0 334.510 4.224 50 0 EIAARN O=C(Nc1ccc(OC2CCCC2)cc1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000121582080 563994179 /nfs/dbraw/zinc/99/41/79/563994179.db2.gz HHYPIMYFPZHHBA-HNAYVOBHSA-N 0 0 344.455 4.041 50 0 EIAARN O=C(/C=C\c1cccc(F)c1)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000033780090 563994320 /nfs/dbraw/zinc/99/43/20/563994320.db2.gz IXCBRRZDRNLYMO-PLNGDYQASA-N 0 0 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CCCCCOc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1 ZINC000018107040 564018028 /nfs/dbraw/zinc/01/80/28/564018028.db2.gz SCYGGCDCGJZWAB-OALUTQOASA-N 0 0 341.451 4.491 50 0 EIAARN CCC(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@@H]2C)c2ccccc12 ZINC000018102664 564018058 /nfs/dbraw/zinc/01/80/58/564018058.db2.gz UHPRXEIILXQAAR-GASCZTMLSA-N 0 0 326.440 4.024 50 0 EIAARN CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000005682201 564018552 /nfs/dbraw/zinc/01/85/52/564018552.db2.gz RHZVYFJJRYCVMK-JXFKEZNVSA-N 0 0 339.435 4.307 50 0 EIAARN CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000018232279 564018885 /nfs/dbraw/zinc/01/88/85/564018885.db2.gz CZUVXIHKCHXZDC-QGZVFWFLSA-N 0 0 349.261 4.122 50 0 EIAARN CCN(CC)c1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1 ZINC000000502311 564019060 /nfs/dbraw/zinc/01/90/60/564019060.db2.gz SANNZRCUYSBKKT-UHFFFAOYSA-N 0 0 326.440 4.346 50 0 EIAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1 ZINC000005693661 564019145 /nfs/dbraw/zinc/01/91/45/564019145.db2.gz 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ZINC000000551753 564022979 /nfs/dbraw/zinc/02/29/79/564022979.db2.gz QISSZKUTKJUFEM-INIZCTEOSA-N 0 0 329.856 4.066 50 0 EIAARN Cc1ccc([C@@]2(CC(=O)N3CCCC3)CCO[C@H](C(C)C)C2)cc1 ZINC000000554071 564023058 /nfs/dbraw/zinc/02/30/58/564023058.db2.gz YAWLRKLUJJGWHP-FPOVZHCZSA-N 0 0 329.484 4.080 50 0 EIAARN CCN(CC)C(=O)C[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1 ZINC000000554339 564023076 /nfs/dbraw/zinc/02/30/76/564023076.db2.gz VIVYUPKFFHUSEU-FPOVZHCZSA-N 0 0 331.500 4.326 50 0 EIAARN O=C1CS[C@@H](c2ccc(F)cc2)N1c1nc2ccccc2s1 ZINC000000564143 564023321 /nfs/dbraw/zinc/02/33/21/564023321.db2.gz GKZCFPFWFSFOAM-HNNXBMFYSA-N 0 0 330.409 4.214 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000103927675 564023326 /nfs/dbraw/zinc/02/33/26/564023326.db2.gz GUCJIVSKSFFESF-CXAGYDPISA-N 0 0 346.471 4.074 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(Nc2ncccn2)c1 ZINC000024551801 564023362 /nfs/dbraw/zinc/02/33/62/564023362.db2.gz OQAOWXJAIKDUKO-UHFFFAOYSA-N 0 0 338.798 4.434 50 0 EIAARN Cc1cccc(-c2noc(CCN(C(=O)c3ccccc3)C(C)C)n2)c1 ZINC000096293783 564023736 /nfs/dbraw/zinc/02/37/36/564023736.db2.gz ZPWTWXMAVPWQND-UHFFFAOYSA-N 0 0 349.434 4.138 50 0 EIAARN Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 ZINC000000573711 564023969 /nfs/dbraw/zinc/02/39/69/564023969.db2.gz UKOXYLFGSFPIKY-UHFFFAOYSA-N 0 0 346.430 4.490 50 0 EIAARN Cc1c(C(=O)c2cccs2)sc2nc3cc(F)c(F)cc3n12 ZINC000005728506 564024147 /nfs/dbraw/zinc/02/41/47/564024147.db2.gz ISTSBKALCSRHOJ-UHFFFAOYSA-N 0 0 334.372 4.428 50 0 EIAARN COc1ccccc1OCCn1cc(C(=O)C2CC2)c2ccccc21 ZINC000000578888 564024311 /nfs/dbraw/zinc/02/43/11/564024311.db2.gz OTALBFKJUXGLGY-UHFFFAOYSA-N 0 0 335.403 4.322 50 0 EIAARN CCCCOc1ccc(NC(=O)NCc2sc(C)nc2C)cc1 ZINC000225586897 564024578 /nfs/dbraw/zinc/02/45/78/564024578.db2.gz PYNDECNEHRQYNG-UHFFFAOYSA-N 0 0 333.457 4.261 50 0 EIAARN O=C(COc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000000581614 564024973 /nfs/dbraw/zinc/02/49/73/564024973.db2.gz ZZKMHDMKLXACHY-UHFFFAOYSA-N 0 0 343.854 4.200 50 0 EIAARN O=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000004854345 564025324 /nfs/dbraw/zinc/02/53/24/564025324.db2.gz KKRJUJANLXDINP-LJQANCHMSA-N 0 0 335.382 4.264 50 0 EIAARN Cc1nc(Cc2nc(-c3ccc4c(c3)OCCCO4)cs2)cs1 ZINC000046814883 564025422 /nfs/dbraw/zinc/02/54/22/564025422.db2.gz DADAKKMWKZXJCG-UHFFFAOYSA-N 0 0 344.461 4.327 50 0 EIAARN CCc1c(C)nc2nc(-c3ccco3)nn2c1NCc1ccc(C)cc1 ZINC000046913803 564025516 /nfs/dbraw/zinc/02/55/16/564025516.db2.gz GBRUCYYBSIVEKC-UHFFFAOYSA-N 0 0 347.422 4.176 50 0 EIAARN Cc1nc2nc(-c3ccco3)nn2c(Nc2cccc(Cl)c2)c1C ZINC000046914021 564025519 /nfs/dbraw/zinc/02/55/19/564025519.db2.gz HEGVDZWZIXKTAU-UHFFFAOYSA-N 0 0 339.786 4.398 50 0 EIAARN COc1ccc(-c2noc(-c3cc(-c4ccccc4C)[nH]n3)n2)cc1 ZINC000046914373 564025599 /nfs/dbraw/zinc/02/55/99/564025599.db2.gz JEOUZDAQIJDCMA-UHFFFAOYSA-N 0 0 332.363 4.111 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)ccc1C ZINC000047157857 564025782 /nfs/dbraw/zinc/02/57/82/564025782.db2.gz ADZOXIHXGXNAAZ-UHFFFAOYSA-N 0 0 335.407 4.475 50 0 EIAARN CCC(NCc1ccc(Cl)cc1)=C1N=C(c2ccccc2)OC1=O ZINC000106085439 564025914 /nfs/dbraw/zinc/02/59/14/564025914.db2.gz JRTBDAXKOHYCOI-WUKNDPDISA-N 0 0 340.810 4.055 50 0 EIAARN CCCCOc1c(Br)cc(Br)cc1C=O ZINC000002776708 564025999 /nfs/dbraw/zinc/02/59/99/564025999.db2.gz KLACJKZHFJLGDL-UHFFFAOYSA-N 0 0 336.023 4.203 50 0 EIAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1nccn1CC(C)C ZINC000150088890 564026399 /nfs/dbraw/zinc/02/63/99/564026399.db2.gz ODURKSMECDMSJD-UHFFFAOYSA-N 0 0 346.481 4.285 50 0 EIAARN CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H](c1ccccc1)c1ccccn1 ZINC000107341229 564026882 /nfs/dbraw/zinc/02/68/82/564026882.db2.gz CGFQQSYIJYZPHN-TUNNFDKTSA-N 0 0 342.442 4.433 50 0 EIAARN O=C(Nc1ccc(-c2nnco2)cc1)c1csc(-c2ccccc2)n1 ZINC000044575544 564027030 /nfs/dbraw/zinc/02/70/30/564027030.db2.gz JUUVOKFMWGHCSJ-UHFFFAOYSA-N 0 0 348.387 4.112 50 0 EIAARN Cc1cccc(-c2nnc([C@H](C)N3CCO[C@H](c4ccccc4)C3)o2)c1 ZINC000044908064 564027699 /nfs/dbraw/zinc/02/76/99/564027699.db2.gz BNXJYAOVTSFBDA-LPHOPBHVSA-N 0 0 349.434 4.180 50 0 EIAARN O=C(Nc1ccccc1[C@H]1CC=NO1)c1ccccc1Br ZINC000044928810 564027782 /nfs/dbraw/zinc/02/77/82/564027782.db2.gz JAMXCRTWKLIICV-OAHLLOKOSA-N 0 0 345.196 4.149 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)N[C@H](c2cccs2)C(C)C)on1 ZINC000044967134 564027932 /nfs/dbraw/zinc/02/79/32/564027932.db2.gz KNVKCKOOFRLKSB-CJNGLKHVSA-N 0 0 333.457 4.288 50 0 EIAARN COc1cccc(CC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000045152879 564028186 /nfs/dbraw/zinc/02/81/86/564028186.db2.gz LWRMPERCXKZELU-GOSISDBHSA-N 0 0 329.827 4.255 50 0 EIAARN Cc1cccc(Nc2nc3ccccc3nc2C(=O)OCC(C)C)c1 ZINC000045901687 564028830 /nfs/dbraw/zinc/02/88/30/564028830.db2.gz ULEIRQRZZSLDPQ-UHFFFAOYSA-N 0 0 335.407 4.495 50 0 EIAARN CC(C)COC(=O)c1nc2ccccc2nc1Nc1cccc(F)c1 ZINC000045901652 564028839 /nfs/dbraw/zinc/02/88/39/564028839.db2.gz FVLVMUHRQMKPFE-UHFFFAOYSA-N 0 0 339.370 4.325 50 0 EIAARN Cc1ccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC2(C)C)cc1 ZINC000045932720 564028936 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ZINC000048043462 564029901 /nfs/dbraw/zinc/02/99/01/564029901.db2.gz WLERVQQLVFPHQM-SWLSCSKDSA-N 0 0 339.395 4.211 50 0 EIAARN C[C@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(Cl)s1 ZINC000048149914 564029995 /nfs/dbraw/zinc/02/99/95/564029995.db2.gz FNEKRERKHZWUEL-NSHDSACASA-N 0 0 346.843 4.470 50 0 EIAARN CC(=O)N1CC=C(c2ccc(Oc3nc4ccccc4o3)cc2)CC1 ZINC000048230653 564030269 /nfs/dbraw/zinc/03/02/69/564030269.db2.gz CAEKBZATASAPMM-UHFFFAOYSA-N 0 0 334.375 4.256 50 0 EIAARN CN(C)c1cccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)c1 ZINC000048291062 564030569 /nfs/dbraw/zinc/03/05/69/564030569.db2.gz OVIXNYDNFUOVJA-HXUWFJFHSA-N 0 0 332.403 4.094 50 0 EIAARN Cc1cc(C(=O)CCC(=O)N2c3ccccc3C[C@@H]2C)c(C)s1 ZINC000048312282 564030783 /nfs/dbraw/zinc/03/07/83/564030783.db2.gz OSPHDJBXOAJOQD-LBPRGKRZSA-N 0 0 327.449 4.306 50 0 EIAARN Cc1csc(CNC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000048342136 564031231 /nfs/dbraw/zinc/03/12/31/564031231.db2.gz OTFXJRRFQILWHE-IAQYHMDHSA-N 0 0 345.468 4.042 50 0 EIAARN CCN(C(C)=O)c1nc(CN(C)[C@@H](C)c2ccc(C)s2)cs1 ZINC000048353989 564031288 /nfs/dbraw/zinc/03/12/88/564031288.db2.gz JXPUHWWDJKSHPC-LBPRGKRZSA-N 0 0 337.514 4.079 50 0 EIAARN CN(CCCCc1ccccc1)C(=O)Nc1ccccc1-n1cccn1 ZINC000048362390 564031464 /nfs/dbraw/zinc/03/14/64/564031464.db2.gz ZDXYULMWEWYEGY-UHFFFAOYSA-N 0 0 348.450 4.359 50 0 EIAARN Cc1ccc2c(CSc3nnc(C(C)(C)C)o3)cc(=O)oc2c1 ZINC000048375071 564031654 /nfs/dbraw/zinc/03/16/54/564031654.db2.gz QNMZEWIHMMNZJI-UHFFFAOYSA-N 0 0 330.409 4.074 50 0 EIAARN CC(C)[C@H](NCc1csc(-c2ncccn2)n1)c1ccc(F)cc1 ZINC000048684758 564032052 /nfs/dbraw/zinc/03/20/52/564032052.db2.gz ISWMRFCVWHYCRM-INIZCTEOSA-N 0 0 342.443 4.226 50 0 EIAARN CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccn2)n1 ZINC000115030972 564032672 /nfs/dbraw/zinc/03/26/72/564032672.db2.gz CEQZDSJEGHYNOO-UHFFFAOYSA-N 0 0 336.395 4.176 50 0 EIAARN Cc1ccc(-c2noc(Cc3nnc(-c4cc(C)cc(C)c4)o3)n2)cc1 ZINC000049405244 564032738 /nfs/dbraw/zinc/03/27/38/564032738.db2.gz ZYUAYSQKMIOHKH-UHFFFAOYSA-N 0 0 346.390 4.303 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000049543906 564032772 /nfs/dbraw/zinc/03/27/72/564032772.db2.gz CBWJAHJALFCEDU-LBPRGKRZSA-N 0 0 327.771 4.457 50 0 EIAARN CC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Nc4c3cnn4C)o2)cc1 ZINC000049543972 564032782 /nfs/dbraw/zinc/03/27/82/564032782.db2.gz XEHHBPOSYFXNME-AWEZNQCLSA-N 0 0 335.363 4.006 50 0 EIAARN Cc1nn(C)c2c1[C@@H](c1cccc(C(F)(F)F)c1)SCC(=O)N2 ZINC000049549078 564032788 /nfs/dbraw/zinc/03/27/88/564032788.db2.gz QNIFBVAKIHCVRP-CYBMUJFWSA-N 0 0 341.358 4.172 50 0 EIAARN Clc1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 ZINC000049600883 564032809 /nfs/dbraw/zinc/03/28/09/564032809.db2.gz HQNXUGZRFCCQQN-UHFFFAOYSA-N 0 0 348.837 4.497 50 0 EIAARN Cc1cccc(Cn2cc(-c3cnn(Cc4cccc(C)c4)c3)cn2)c1 ZINC000049574109 564032811 /nfs/dbraw/zinc/03/28/11/564032811.db2.gz RBYMPKKAHKFXEO-UHFFFAOYSA-N 0 0 342.446 4.460 50 0 EIAARN CCn1c(CNC(=O)c2occc2-c2ccccc2)nc2ccccc21 ZINC000049581395 564032855 /nfs/dbraw/zinc/03/28/55/564032855.db2.gz LBQRXAONNOQCTH-UHFFFAOYSA-N 0 0 345.402 4.246 50 0 EIAARN Cc1ccccc1N(C(=O)c1cnccn1)c1nc2ccccc2s1 ZINC000049983740 564032917 /nfs/dbraw/zinc/03/29/17/564032917.db2.gz OGKNZDGVLYNOEM-UHFFFAOYSA-N 0 0 346.415 4.373 50 0 EIAARN O=C(CCc1ccsc1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000141436354 564033010 /nfs/dbraw/zinc/03/30/10/564033010.db2.gz GBEWPNVSRPBGEL-MRXNPFEDSA-N 0 0 341.436 4.047 50 0 EIAARN C[S@@](=O)Cc1cc(NC(=O)CC2=CCCCC2)ccc1Cl ZINC000115264698 564033093 /nfs/dbraw/zinc/03/30/93/564033093.db2.gz DVMLVFVIXSPGRG-NRFANRHFSA-N 0 0 325.861 4.048 50 0 EIAARN COCc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 ZINC000115245326 564033096 /nfs/dbraw/zinc/03/30/96/564033096.db2.gz AQCLCOZAQJKJPW-UHFFFAOYSA-N 0 0 336.844 4.003 50 0 EIAARN CCC(C)(C)NC(=O)c1ccc(NCc2cc(C)on2)cc1Cl ZINC000055879394 564034147 /nfs/dbraw/zinc/03/41/47/564034147.db2.gz YKCZZOUTICWEQM-UHFFFAOYSA-N 0 0 335.835 4.167 50 0 EIAARN O=C(Nc1nc2ccc(Cl)cc2s1)C1=Cc2ccccc2OC1 ZINC000007921563 564034567 /nfs/dbraw/zinc/03/45/67/564034567.db2.gz IANQFPOISZESJK-UHFFFAOYSA-N 0 0 342.807 4.364 50 0 EIAARN COc1ccc(C(=O)N[C@@H](c2ccsc2)c2cccs2)cc1F ZINC000390827467 564034675 /nfs/dbraw/zinc/03/46/75/564034675.db2.gz YGQBTPZFXWXVOT-INIZCTEOSA-N 0 0 347.436 4.477 50 0 EIAARN C[C@H](NC(=O)COc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000008237813 564034906 /nfs/dbraw/zinc/03/49/06/564034906.db2.gz HUPDXQADLOJSDV-LBPRGKRZSA-N 0 0 329.783 4.342 50 0 EIAARN CCOc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000008239382 564034939 /nfs/dbraw/zinc/03/49/39/564034939.db2.gz INIUTSIQRCNNNL-CYBMUJFWSA-N 0 0 339.391 4.331 50 0 EIAARN COc1ccc(CCNC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000008231521 564034963 /nfs/dbraw/zinc/03/49/63/564034963.db2.gz ZRHJYLSXDUJPEX-UHFFFAOYSA-N 0 0 346.430 4.093 50 0 EIAARN c1csc(-c2nc(SCc3ncc(-c4ccccc4)o3)n[nH]2)c1 ZINC000008230889 564034965 /nfs/dbraw/zinc/03/49/65/564034965.db2.gz CEVLTXTUWAPAGY-UHFFFAOYSA-N 0 0 340.433 4.481 50 0 EIAARN COc1ccccc1CNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000008231507 564034986 /nfs/dbraw/zinc/03/49/86/564034986.db2.gz ZMRWXAWYERZLQR-UHFFFAOYSA-N 0 0 332.403 4.051 50 0 EIAARN CN(CC1(CO)CCCC1)C(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000220362732 564035875 /nfs/dbraw/zinc/03/58/75/564035875.db2.gz GBXOLVDUSGUWAL-UHFFFAOYSA-N 0 0 341.426 4.117 50 0 EIAARN CCN(C(=O)/C=C/c1ccc(F)cc1)[C@H](C)c1cccc(OC)c1 ZINC000032800908 564036252 /nfs/dbraw/zinc/03/62/52/564036252.db2.gz MNUDFXZGXPUDBB-NRMKIYEFSA-N 0 0 327.399 4.457 50 0 EIAARN Cc1ccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1 ZINC000221639922 564036340 /nfs/dbraw/zinc/03/63/40/564036340.db2.gz SEONJKDAZBGXFP-UHFFFAOYSA-N 0 0 343.427 4.160 50 0 EIAARN C[C@H](NC(=O)NCc1ccccc1)c1cccc(Br)c1 ZINC000024688640 564036646 /nfs/dbraw/zinc/03/66/46/564036646.db2.gz OMAMUOIYHAWBRX-LBPRGKRZSA-N 0 0 333.229 4.010 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccccc1OC(F)F ZINC000024860791 564036725 /nfs/dbraw/zinc/03/67/25/564036725.db2.gz MRHAHLIFIDCZLA-UHFFFAOYSA-N 0 0 348.324 4.398 50 0 EIAARN CCCCOc1ccc(C2N=NC(=S)N2c2ccccc2)cc1 ZINC000002910682 564037587 /nfs/dbraw/zinc/03/75/87/564037587.db2.gz UUXOMZVTXAPAFR-UHFFFAOYSA-N 0 0 325.437 4.402 50 0 EIAARN Cc1cc([C@H]2CCCCN2C(=O)CCCOCc2ccccc2)no1 ZINC000223085066 564038897 /nfs/dbraw/zinc/03/88/97/564038897.db2.gz WPDHTOXAGBARHZ-LJQANCHMSA-N 0 0 342.439 4.034 50 0 EIAARN CCN(Cc1nccn1C)C(=O)c1ccccc1-c1cccc(C)c1 ZINC000223387777 564039726 /nfs/dbraw/zinc/03/97/26/564039726.db2.gz LDDOECJVADWUKQ-UHFFFAOYSA-N 0 0 333.435 4.058 50 0 EIAARN OCCCC[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2OCCC[C@@H]21 ZINC000601008689 564043197 /nfs/dbraw/zinc/04/31/97/564043197.db2.gz RROYEMKQPPGUAQ-AKWBHNSASA-N 0 0 330.255 4.418 50 0 EIAARN CCn1cc(C(=O)N[C@H](C)c2sc(C)nc2C)c2ccccc21 ZINC000040157758 564045612 /nfs/dbraw/zinc/04/56/12/564045612.db2.gz RFTWPBLSWYGCNC-GFCCVEGCSA-N 0 0 327.453 4.226 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000225433708 564046671 /nfs/dbraw/zinc/04/66/71/564046671.db2.gz XSGUNYGKISHMIP-RBSFLKMASA-N 0 0 347.421 4.353 50 0 EIAARN CO[C@@H]1CCCCC[C@H]1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000225453897 564046900 /nfs/dbraw/zinc/04/69/00/564046900.db2.gz SHMPGOQNHITHRM-HZPDHXFCSA-N 0 0 346.452 4.013 50 0 EIAARN CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000225690418 564049422 /nfs/dbraw/zinc/04/94/22/564049422.db2.gz CXOOGOJXUAEVCE-HIFRSBDPSA-N 0 0 325.399 4.477 50 0 EIAARN O=C(Nc1cnccc1-c1ccccc1)c1cc2ccccc2c(=O)o1 ZINC000225703867 564049540 /nfs/dbraw/zinc/04/95/40/564049540.db2.gz NRGUOKCGISBDLT-UHFFFAOYSA-N 0 0 342.354 4.107 50 0 EIAARN Cc1nc(-c2cc3ccc(OC(=O)CC(C)C)cc3oc2=O)cs1 ZINC000012389923 564049946 /nfs/dbraw/zinc/04/99/46/564049946.db2.gz ULJIFVLXWCWWBZ-UHFFFAOYSA-N 0 0 343.404 4.176 50 0 EIAARN Cc1cc(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)no1 ZINC000041136542 564050249 /nfs/dbraw/zinc/05/02/49/564050249.db2.gz WCLMJAAOHCDDJD-HNNXBMFYSA-N 0 0 332.812 4.217 50 0 EIAARN O=c1c2ccc(Cl)cc2ncn1Cc1ccc(C(F)(F)F)cc1 ZINC000003131453 564051554 /nfs/dbraw/zinc/05/15/54/564051554.db2.gz HXQXOSTZRBQARD-UHFFFAOYSA-N 0 0 338.716 4.117 50 0 EIAARN CCN(C(=O)c1cc(COC(C)(C)C)on1)c1ccccc1Cl ZINC000239359588 564051609 /nfs/dbraw/zinc/05/16/09/564051609.db2.gz AETQLKBZBFBOAW-UHFFFAOYSA-N 0 0 336.819 4.310 50 0 EIAARN COCCc1ccccc1NC(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC000240278347 564051741 /nfs/dbraw/zinc/05/17/41/564051741.db2.gz DQNUTVKYRSCAHC-INIZCTEOSA-N 0 0 348.446 4.241 50 0 EIAARN COc1ccc(-c2cnc3cc(C)nn3c2-c2ccc(OC)cc2)cc1 ZINC000005793395 564052218 /nfs/dbraw/zinc/05/22/18/564052218.db2.gz QOVOXXLMVMBGET-UHFFFAOYSA-N 0 0 345.402 4.389 50 0 EIAARN Cc1cc([C@@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)on1 ZINC000052009110 564053277 /nfs/dbraw/zinc/05/32/77/564053277.db2.gz ZUDBLJSQNKXAQW-INIZCTEOSA-N 0 0 327.359 4.114 50 0 EIAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C1CCCC1 ZINC000001000056 564053927 /nfs/dbraw/zinc/05/39/27/564053927.db2.gz BLHPDEHEIPCIIZ-UHFFFAOYSA-N 0 0 333.409 4.314 50 0 EIAARN Cc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 ZINC000001018552 564054043 /nfs/dbraw/zinc/05/40/43/564054043.db2.gz VAXNTNIPFQQXKW-FOWTUZBSSA-N 0 0 327.405 4.257 50 0 EIAARN Cc1cc2nc(SC[C@H](O)c3ccccc3)c3ccccc3n2n1 ZINC000052427103 564054258 /nfs/dbraw/zinc/05/42/58/564054258.db2.gz HDZTXMCTUXSPSQ-KRWDZBQOSA-N 0 0 335.432 4.017 50 0 EIAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CCC5(C[C@@]43C)OCCO5)[C@@H]1CC[C@H]2O ZINC000257346070 564055882 /nfs/dbraw/zinc/05/58/82/564055882.db2.gz QDULKIPGHAIXOR-INCXTXFYSA-N 0 0 334.500 4.133 50 0 EIAARN CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1 ZINC000005908915 564056932 /nfs/dbraw/zinc/05/69/32/564056932.db2.gz MVZCTJPTNLVOJC-MRXNPFEDSA-N 0 0 330.453 4.126 50 0 EIAARN COc1ccccc1Nc1ncccc1C(=O)N1CCC[C@@H](C)CC1 ZINC000063273615 564056966 /nfs/dbraw/zinc/05/69/66/564056966.db2.gz HYMLLVFJKFVXIL-OAHLLOKOSA-N 0 0 339.439 4.096 50 0 EIAARN COc1ccccc1C1=NNC(=Nc2ccccc2Cl)SC1 ZINC000005981404 564057424 /nfs/dbraw/zinc/05/74/24/564057424.db2.gz SNAGSNMKOUHRQJ-UHFFFAOYSA-N 0 0 331.828 4.268 50 0 EIAARN CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000012554845 564059299 /nfs/dbraw/zinc/05/92/99/564059299.db2.gz NNSOJEDEAIRKDS-AWEZNQCLSA-N 0 0 347.418 4.237 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)nc1 ZINC000012562064 564059579 /nfs/dbraw/zinc/05/95/79/564059579.db2.gz DIRXTHJDRDKNHB-UHFFFAOYSA-N 0 0 340.386 4.253 50 0 EIAARN O=C(CSc1nnnn1C1CC1)c1ccc(C2CCCCC2)cc1 ZINC000012569221 564059840 /nfs/dbraw/zinc/05/98/40/564059840.db2.gz CXYKGIRUBSSPHI-UHFFFAOYSA-N 0 0 342.468 4.031 50 0 EIAARN Cc1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1 ZINC000003592190 564060023 /nfs/dbraw/zinc/06/00/23/564060023.db2.gz WHWBSESHAVXJAU-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN CCC(CC)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 ZINC000003893235 564060289 /nfs/dbraw/zinc/06/02/89/564060289.db2.gz UUHUYROKRHJISE-UHFFFAOYSA-N 0 0 329.469 4.302 50 0 EIAARN FC(F)(F)c1nc2n(n1)[C@@H](c1ccccc1)CC(c1cccs1)=N2 ZINC000012601193 564060397 /nfs/dbraw/zinc/06/03/97/564060397.db2.gz BYAGOQWSANJGDT-GFCCVEGCSA-N 0 0 348.353 4.414 50 0 EIAARN CSc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C ZINC000012604044 564060486 /nfs/dbraw/zinc/06/04/86/564060486.db2.gz ITULZSMKVKZBLT-UHFFFAOYSA-N 0 0 339.464 4.200 50 0 EIAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc(F)cc1 ZINC000012619070 564060673 /nfs/dbraw/zinc/06/06/73/564060673.db2.gz AGUQMCMLIMPIRM-UHFFFAOYSA-N 0 0 346.308 4.330 50 0 EIAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccccc1 ZINC000012618001 564060691 /nfs/dbraw/zinc/06/06/91/564060691.db2.gz UHLYMTJDCPBZLO-UHFFFAOYSA-N 0 0 348.431 4.432 50 0 EIAARN Cc1cccc(C)c1NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000454215430 564060855 /nfs/dbraw/zinc/06/08/55/564060855.db2.gz YKFZRTZZJVKNSZ-SJORKVTESA-N 0 0 328.456 4.116 50 0 EIAARN CC(=O)Oc1ccc(C)c2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 ZINC000004026235 564061148 /nfs/dbraw/zinc/06/11/48/564061148.db2.gz RNKRHMVSDHMQGT-WCLQXYBISA-N 0 0 326.436 4.346 50 0 biogenic EIAARN CC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2cn(C)nc2C)cc1 ZINC000534590635 564061214 /nfs/dbraw/zinc/06/12/14/564061214.db2.gz BRZDJSIKEAJQPK-FQEVSTJZSA-N 0 0 348.450 4.014 50 0 EIAARN C[C@H](c1ccc(-c2cc(CC(=O)[O-])ccc2O)cc1)[NH+]1CCCCC1 ZINC000534631815 564061313 /nfs/dbraw/zinc/06/13/13/564061313.db2.gz USNUEDDHVRICFF-OAHLLOKOSA-N 0 0 339.435 4.233 50 0 EIAARN Cc1ccccc1SC1CCN(C(=O)NC2(C3CC3)CC2)CC1 ZINC000534660528 564061424 /nfs/dbraw/zinc/06/14/24/564061424.db2.gz ASURUVXCUDJPOI-UHFFFAOYSA-N 0 0 330.497 4.204 50 0 EIAARN Cc1cc2cc(CNC(=O)c3ccccc3C(F)(F)F)ccc2n1C ZINC000004061527 564061752 /nfs/dbraw/zinc/06/17/52/564061752.db2.gz AQSZOVFEYZVLLY-UHFFFAOYSA-N 0 0 346.352 4.436 50 0 EIAARN O=S(=O)(C[C@H]1CCCCO1)Oc1ccc(C2CCCCC2)cc1 ZINC000078583732 564062098 /nfs/dbraw/zinc/06/20/98/564062098.db2.gz NPTRQHFHJTWECG-GOSISDBHSA-N 0 0 338.469 4.012 50 0 EIAARN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000078594911 564062118 /nfs/dbraw/zinc/06/21/18/564062118.db2.gz VQYGMKIPTCZIPK-OAHLLOKOSA-N 0 0 340.389 4.249 50 0 EIAARN NC(=O)[C@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000001385440 564064180 /nfs/dbraw/zinc/06/41/80/564064180.db2.gz BEZLDOICUYSEOS-LLVKDONJSA-N 0 0 349.139 4.024 50 0 EIAARN Cc1cccc(CC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c1 ZINC000005441799 564062455 /nfs/dbraw/zinc/06/24/55/564062455.db2.gz CUBSCEPSCBKYFL-UHFFFAOYSA-N 0 0 336.435 4.002 50 0 EIAARN CCc1cccc(CC)c1NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000012687388 564062616 /nfs/dbraw/zinc/06/26/16/564062616.db2.gz MTGAPRZMMMUION-UHFFFAOYSA-N 0 0 327.453 4.320 50 0 EIAARN CCn1nc(NC(=O)c2ccccc2C)c2cc3cc(C)ccc3nc21 ZINC000001270831 564062831 /nfs/dbraw/zinc/06/28/31/564062831.db2.gz OXNVHOXUTKQEQQ-UHFFFAOYSA-N 0 0 344.418 4.474 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000052897374 564063047 /nfs/dbraw/zinc/06/30/47/564063047.db2.gz ZKQYXPALAOFAQZ-SFHVURJKSA-N 0 0 329.827 4.255 50 0 EIAARN C[C@H](NCc1nccn1Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000129454129 564063059 /nfs/dbraw/zinc/06/30/59/564063059.db2.gz ULVCCLGGFDAOJJ-AWEZNQCLSA-N 0 0 327.378 4.060 50 0 EIAARN CC(C)CCn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001321104 564063188 /nfs/dbraw/zinc/06/31/88/564063188.db2.gz KACTZCFJZUDBMJ-LBPRGKRZSA-N 0 0 333.501 4.050 50 0 EIAARN O=C(C1CCCCC1)N1CCN=C1SCc1cccc(Cl)c1 ZINC000004120597 564063212 /nfs/dbraw/zinc/06/32/12/564063212.db2.gz HTJBJQBUQBLBML-UHFFFAOYSA-N 0 0 336.888 4.352 50 0 EIAARN Cc1ccc2c(c1)sc(=NC(=O)Cc1cccc3ccccc31)n2C ZINC000004135063 564063328 /nfs/dbraw/zinc/06/33/28/564063328.db2.gz YGUJUEXPSGXZEX-QURGRASLSA-N 0 0 346.455 4.371 50 0 EIAARN CCCOc1c(OCC)cccc1[C@@H]1NC(=O)c2cccc(C)c2N1 ZINC000012727835 564063908 /nfs/dbraw/zinc/06/39/08/564063908.db2.gz NXKULDMSJRPHLM-IBGZPJMESA-N 0 0 340.423 4.037 50 0 EIAARN CN(Cc1cc2ccccc2o1)C(=O)NCc1csc(C2CC2)n1 ZINC000083862049 564063955 /nfs/dbraw/zinc/06/39/55/564063955.db2.gz TWDKCSVCYBTPPI-UHFFFAOYSA-N 0 0 341.436 4.108 50 0 EIAARN COc1ccccc1-c1cc(C(F)(F)F)n2nc(C)c(Cl)c2n1 ZINC000001384282 564064142 /nfs/dbraw/zinc/06/41/42/564064142.db2.gz WWCDDLSFJOOZTL-UHFFFAOYSA-N 0 0 341.720 4.386 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 ZINC000012737646 564064700 /nfs/dbraw/zinc/06/47/00/564064700.db2.gz FSJVIFCVCVJYRC-UHFFFAOYSA-N 0 0 336.391 4.201 50 0 EIAARN CSc1nc2c(cnn2-c2ccccc2)c(NC2CCCCC2)n1 ZINC000001403695 564065073 /nfs/dbraw/zinc/06/50/73/564065073.db2.gz XECKFPSKDQQVQM-UHFFFAOYSA-N 0 0 339.468 4.282 50 0 EIAARN Cc1cccc(SC[C@H]2CSc3nc4ccccc4c(=O)n32)c1 ZINC000001405450 564065201 /nfs/dbraw/zinc/06/52/01/564065201.db2.gz QHBCBVHQJYZFAF-ZDUSSCGKSA-N 0 0 340.473 4.144 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc1Cl ZINC000012742237 564065465 /nfs/dbraw/zinc/06/54/65/564065465.db2.gz GXPFIFXJCKLHFA-SECBINFHSA-N 0 0 341.741 4.033 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000084028847 564065862 /nfs/dbraw/zinc/06/58/62/564065862.db2.gz PKODJPPMFIXXLY-TZIWHRDSSA-N 0 0 328.415 4.343 50 0 EIAARN Cc1nc(CNc2nc(C)nc3scc(CC(C)C)c32)oc1C ZINC000084061451 564065970 /nfs/dbraw/zinc/06/59/70/564065970.db2.gz ATXUFSZQIWAKKM-UHFFFAOYSA-N 0 0 330.457 4.415 50 0 EIAARN COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@H]32)cc1 ZINC000016651040 564066087 /nfs/dbraw/zinc/06/60/87/564066087.db2.gz NCAZXJBAFALTTE-JCGIZDLHSA-N 0 0 343.810 4.371 50 0 EIAARN Cc1cc(N[C@@H](C)Cc2ccc(-c3ccccc3)cc2)n2ncnc2n1 ZINC000084109957 564066574 /nfs/dbraw/zinc/06/65/74/564066574.db2.gz BRQDHGJOBJIADX-HNNXBMFYSA-N 0 0 343.434 4.143 50 0 EIAARN Cn1cc(NC(=O)c2cc3sc4ccccc4c3s2)ccc1=O ZINC000084314505 564067732 /nfs/dbraw/zinc/06/77/32/564067732.db2.gz HYNATUYCBZIAGJ-UHFFFAOYSA-N 0 0 340.429 4.067 50 0 EIAARN CC(C)(C)n1ncc(NC[C@@H]2CCCc3ccccc32)c(Cl)c1=O ZINC000084325478 564067802 /nfs/dbraw/zinc/06/78/02/564067802.db2.gz ULHNFJJGGMBWBS-AWEZNQCLSA-N 0 0 345.874 4.184 50 0 EIAARN O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(OC2CCCC2)cc1 ZINC000084392425 564068011 /nfs/dbraw/zinc/06/80/11/564068011.db2.gz LGIIMEBCPPJOGH-UHFFFAOYSA-N 0 0 347.418 4.446 50 0 EIAARN O=C(CC1CCCC1)OCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000084452313 564068203 /nfs/dbraw/zinc/06/82/03/564068203.db2.gz WVSHRJMEXQLQFL-UHFFFAOYSA-N 0 0 327.302 4.470 50 0 EIAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(F)cc1 ZINC000012768641 564068403 /nfs/dbraw/zinc/06/84/03/564068403.db2.gz WBAMIAQWBQAGSD-UHFFFAOYSA-N 0 0 344.411 4.121 50 0 EIAARN CCc1cccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 ZINC000012768684 564068432 /nfs/dbraw/zinc/06/84/32/564068432.db2.gz WOCQGGGBKPMYFV-KRWDZBQOSA-N 0 0 325.408 4.059 50 0 EIAARN O=C(c1cn2ccccc2n1)N(Cc1ccccc1)C1CCCCC1 ZINC000084535579 564068531 /nfs/dbraw/zinc/06/85/31/564068531.db2.gz VPUXBFPBVFFZID-UHFFFAOYSA-N 0 0 333.435 4.309 50 0 EIAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000084553344 564068685 /nfs/dbraw/zinc/06/86/85/564068685.db2.gz WFUXMLXRBIVCBB-HXUWFJFHSA-N 0 0 345.446 4.194 50 0 EIAARN c1ccc(-n2c3c(nc2SC[C@H]2CCCCO2)CCCC3)cc1 ZINC000084572812 564068747 /nfs/dbraw/zinc/06/87/47/564068747.db2.gz YEQWYBVMKDGOCB-MRXNPFEDSA-N 0 0 328.481 4.412 50 0 EIAARN CC(C)N(C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C1CC1 ZINC000084597220 564068922 /nfs/dbraw/zinc/06/89/22/564068922.db2.gz DHSIJTFTHBTJJI-FQEVSTJZSA-N 0 0 349.430 4.154 50 0 EIAARN CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000015603742 564069279 /nfs/dbraw/zinc/06/92/79/564069279.db2.gz CVIGHIREOZYXGZ-UHFFFAOYSA-N 0 0 332.787 4.469 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C1(C)C ZINC000084671163 564069555 /nfs/dbraw/zinc/06/95/55/564069555.db2.gz IAHRTAWQLDSBGB-FZMZJTMJSA-N 0 0 346.496 4.475 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3occc3C)n2)cc1F ZINC000012779627 564069770 /nfs/dbraw/zinc/06/97/70/564069770.db2.gz YIGMRLSXRNPARP-UHFFFAOYSA-N 0 0 332.356 4.112 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cn1 ZINC000012780977 564069986 /nfs/dbraw/zinc/06/99/86/564069986.db2.gz XMBVDRZUBZTIPS-UHFFFAOYSA-N 0 0 344.720 4.237 50 0 EIAARN Cc1noc(CSc2nnc(Nc3ccc(C(C)C)cc3)s2)n1 ZINC000012781828 564069999 /nfs/dbraw/zinc/06/99/99/564069999.db2.gz IQRQBOSLBSBYDK-UHFFFAOYSA-N 0 0 347.469 4.389 50 0 EIAARN O=C([C@@H]1CC1(Cl)Cl)N(CC(F)F)c1cccc(Cl)c1 ZINC000084804143 564070327 /nfs/dbraw/zinc/07/03/27/564070327.db2.gz ZESJJJRCFIAPMV-VIFPVBQESA-N 0 0 328.573 4.132 50 0 EIAARN O=C(Cc1cccs1)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219098746 564070378 /nfs/dbraw/zinc/07/03/78/564070378.db2.gz HDYRBBWPDZWLKU-MRXNPFEDSA-N 0 0 335.469 4.137 50 0 EIAARN CCc1ccccc1NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000015669579 564070409 /nfs/dbraw/zinc/07/04/09/564070409.db2.gz XYMZLINIZALLAE-UHFFFAOYSA-N 0 0 341.436 4.322 50 0 EIAARN CCc1ccccc1NC(=O)Nc1nnc(N2CCCC[C@H]2C)s1 ZINC000015671715 564070459 /nfs/dbraw/zinc/07/04/59/564070459.db2.gz AAQWXOSFLTYNHY-GFCCVEGCSA-N 0 0 345.472 4.123 50 0 EIAARN COc1ccc(-c2noc(Nc3cc(C)cc(C)c3)n2)cc1OC ZINC000015680997 564070735 /nfs/dbraw/zinc/07/07/35/564070735.db2.gz IEMQFMJSORAXOD-UHFFFAOYSA-N 0 0 325.368 4.114 50 0 EIAARN CCCCN(CCCC)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000015721817 564072318 /nfs/dbraw/zinc/07/23/18/564072318.db2.gz VXQWYKVHJIWEEV-UHFFFAOYSA-N 0 0 329.444 4.128 50 0 EIAARN Cc1c(C(=O)NCc2ccccc2)oc2c1[C@@H]1N=C(C)S[C@@H]1CC2 ZINC000015730022 564072661 /nfs/dbraw/zinc/07/26/61/564072661.db2.gz FZGXMEVKEVVHQY-NVXWUHKLSA-N 0 0 340.448 4.039 50 0 EIAARN CC(C)c1ccc(-n2ccnc(NCCCc3ccccc3)c2=O)cc1 ZINC000015732447 564072713 /nfs/dbraw/zinc/07/27/13/564072713.db2.gz LZXNLAOIFVUUPP-UHFFFAOYSA-N 0 0 347.462 4.401 50 0 EIAARN Cc1nn2c(ncc(C(=O)N3CCCCCC3)c2C)c1-c1ccccc1 ZINC000015733123 564072725 /nfs/dbraw/zinc/07/27/25/564072725.db2.gz RUTLILDDNRSARO-UHFFFAOYSA-N 0 0 348.450 4.029 50 0 EIAARN CCN(C(=O)c1noc2c1CCc1sccc1-2)c1cccc(C)c1 ZINC000015733208 564072734 /nfs/dbraw/zinc/07/27/34/564072734.db2.gz BIDAXOZYEFJVCF-UHFFFAOYSA-N 0 0 338.432 4.477 50 0 EIAARN C[C@H](CCc1ccco1)NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000012811348 564072820 /nfs/dbraw/zinc/07/28/20/564072820.db2.gz FNVKIRBLSVTIOJ-LLVKDONJSA-N 0 0 326.223 4.266 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1N1CCCC1=O ZINC000011682918 564072878 /nfs/dbraw/zinc/07/28/78/564072878.db2.gz IPZDTOJSDNDDNG-UHFFFAOYSA-N 0 0 346.789 4.167 50 0 EIAARN CC(C)n1ncc2c1NC(=O)CS[C@@H]2c1cccc2cccnc21 ZINC000085432501 564073116 /nfs/dbraw/zinc/07/31/16/564073116.db2.gz RASNDUCJQQOXFF-QGZVFWFLSA-N 0 0 338.436 4.436 50 0 EIAARN Fc1cncc(CSc2nn(-c3ccccc3)c(=S)s2)c1 ZINC000185187183 564073128 /nfs/dbraw/zinc/07/31/28/564073128.db2.gz KABKSTSHOZNKKL-UHFFFAOYSA-N 0 0 335.454 4.490 50 0 EIAARN CC(=O)Nc1ccc(CNC(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000012815864 564073171 /nfs/dbraw/zinc/07/31/71/564073171.db2.gz MCFBCPRZQRTJGP-UHFFFAOYSA-N 0 0 330.472 4.114 50 0 EIAARN COc1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1 ZINC000085472396 564073422 /nfs/dbraw/zinc/07/34/22/564073422.db2.gz IUOCSNXAXXCPIP-UHFFFAOYSA-N 0 0 345.464 4.074 50 0 EIAARN COc1cccc(-c2ocnc2C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000015782221 564074132 /nfs/dbraw/zinc/07/41/32/564074132.db2.gz YSQXNDVSDYOCQU-UHFFFAOYSA-N 0 0 326.327 4.050 50 0 EIAARN CC(C)c1csc(C(=O)Nc2cccc(Oc3cccnn3)c2)n1 ZINC000085730866 564074847 /nfs/dbraw/zinc/07/48/47/564074847.db2.gz VKMCHJRDDIQCST-UHFFFAOYSA-N 0 0 340.408 4.101 50 0 EIAARN CC(C)(C)c1cccc(NC(=O)c2cccnc2C(F)(F)F)c1O ZINC000185840123 564074910 /nfs/dbraw/zinc/07/49/10/564074910.db2.gz OHTKQFMHHVBUSZ-UHFFFAOYSA-N 0 0 338.329 4.356 50 0 EIAARN O=C(NC1CCCCCC1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786948 564074937 /nfs/dbraw/zinc/07/49/37/564074937.db2.gz IAIFOVKCUDBUKK-UHFFFAOYSA-N 0 0 325.456 4.215 50 0 EIAARN Cc1ccc([C@@H](O)CSc2nnc(C(C)C)n2C2CC2)c(C)c1 ZINC000012824964 564075036 /nfs/dbraw/zinc/07/50/36/564075036.db2.gz OINYFKVNLFBMOR-INIZCTEOSA-N 0 0 331.485 4.179 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Cl)cn1 ZINC000026089292 564075104 /nfs/dbraw/zinc/07/51/04/564075104.db2.gz GMRWRZBXBGXVAF-UHFFFAOYSA-N 0 0 345.761 4.100 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000012831143 564075216 /nfs/dbraw/zinc/07/52/16/564075216.db2.gz XKYLJQVOMZMWPX-UHFFFAOYSA-N 0 0 339.782 4.185 50 0 EIAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccccc1 ZINC000012851242 564075397 /nfs/dbraw/zinc/07/53/97/564075397.db2.gz PEWBYZBPUTWGCP-UHFFFAOYSA-N 0 0 325.393 4.019 50 0 EIAARN O[C@@H]1CCCC[C@H]1Oc1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000086278388 564075508 /nfs/dbraw/zinc/07/55/08/564075508.db2.gz JVCJQLDNNSNLMV-QZTJIDSGSA-N 0 0 344.480 4.315 50 0 EIAARN COc1ccccc1CN(C)C(=O)c1csc(-c2ccccc2)n1 ZINC000012861898 564075739 /nfs/dbraw/zinc/07/57/39/564075739.db2.gz FGOCBSHDCOZJPB-UHFFFAOYSA-N 0 0 338.432 4.091 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(C)c2)c(OC)c1 ZINC000015829412 564075760 /nfs/dbraw/zinc/07/57/60/564075760.db2.gz QMPVCKHZSSNXEF-LJQANCHMSA-N 0 0 339.435 4.298 50 0 EIAARN Nc1nnc(SCCOC(c2ccccc2)c2ccccc2)s1 ZINC000012866539 564075862 /nfs/dbraw/zinc/07/58/62/564075862.db2.gz HNPYCAOIQFOLKS-UHFFFAOYSA-N 0 0 343.477 4.019 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(Br)ccc2F)cc1 ZINC000004542197 564076021 /nfs/dbraw/zinc/07/60/21/564076021.db2.gz OIZIURYHYFWKCF-UHFFFAOYSA-N 0 0 338.176 4.239 50 0 EIAARN CC[C@@H](C)CCCOC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F ZINC000043198770 564076178 /nfs/dbraw/zinc/07/61/78/564076178.db2.gz CVDVLBUUDPPNJU-CJNGLKHVSA-N 0 0 332.362 4.460 50 0 EIAARN O=C(Nc1ccc(F)cc1)C1=CCN(Cc2ccc(Cl)cc2)CC1 ZINC000015861040 564076910 /nfs/dbraw/zinc/07/69/10/564076910.db2.gz XNNJEVLSNZKIDE-UHFFFAOYSA-N 0 0 344.817 4.250 50 0 EIAARN Cc1ccc(N2C(=O)C(=Cc3ccccc3)NC2=NC(C)(C)C)cc1 ZINC000006167824 564077106 /nfs/dbraw/zinc/07/71/06/564077106.db2.gz ZILFVRAHPFBUGV-NBVRZTHBSA-N 0 0 333.435 4.127 50 0 EIAARN Cc1ccc2[nH]c(CCc3cccc(NC(=O)C4CCC4)c3)nc2c1 ZINC000015863572 564077117 /nfs/dbraw/zinc/07/71/17/564077117.db2.gz NLJPYKWOOCKAPA-UHFFFAOYSA-N 0 0 333.435 4.395 50 0 EIAARN CCCn1c(=O)sc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000015865058 564077138 /nfs/dbraw/zinc/07/71/38/564077138.db2.gz IWFBMDOUXMBSTL-UHFFFAOYSA-N 0 0 346.839 4.379 50 0 EIAARN CC(C)NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881106 564077397 /nfs/dbraw/zinc/07/73/97/564077397.db2.gz ZQKSSRRWXFEOKP-UHFFFAOYSA-N 0 0 339.435 4.117 50 0 EIAARN COc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000012883630 564077477 /nfs/dbraw/zinc/07/74/77/564077477.db2.gz GNAOWUIHEUQVBU-ZDUSSCGKSA-N 0 0 339.391 4.283 50 0 EIAARN COc1ccc2cc(CNC(=O)c3cc(Cl)c(Cl)[nH]3)ccc2c1 ZINC000012902664 564077727 /nfs/dbraw/zinc/07/77/27/564077727.db2.gz OMJRCXARBZXGPJ-UHFFFAOYSA-N 0 0 349.217 4.413 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(F)ccc1C ZINC000012916317 564078054 /nfs/dbraw/zinc/07/80/54/564078054.db2.gz ZLVSLOPUPUNQNT-UHFFFAOYSA-N 0 0 331.435 4.175 50 0 EIAARN COc1ccc(F)c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 ZINC000088210011 564078264 /nfs/dbraw/zinc/07/82/64/564078264.db2.gz DHEJCIBQRNWTJW-UHFFFAOYSA-N 0 0 346.745 4.395 50 0 EIAARN c1sc(-c2ncccn2)nc1-c1nc(-c2cc3ccccc3o2)no1 ZINC000088339746 564078961 /nfs/dbraw/zinc/07/89/61/564078961.db2.gz WQMQFSCBPHQWGC-UHFFFAOYSA-N 0 0 347.359 4.063 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)s1 ZINC000012939406 564079437 /nfs/dbraw/zinc/07/94/37/564079437.db2.gz ADCUXVZXRAZCQJ-UHFFFAOYSA-N 0 0 344.417 4.161 50 0 EIAARN S=C1N=NC([C@H]2C[C@H]2c2ccccc2)N1c1ccccc1Cl ZINC000016039016 564079447 /nfs/dbraw/zinc/07/94/47/564079447.db2.gz MXSIORKOPSDDFW-STQMWFEESA-N 0 0 327.840 4.481 50 0 EIAARN S=c1[nH]c(-c2ccccc2)nn1CN1CCC[C@@H]1c1ccccc1 ZINC000012947561 564079768 /nfs/dbraw/zinc/07/97/68/564079768.db2.gz WQUQDGXNHQBTLO-QGZVFWFLSA-N 0 0 336.464 4.402 50 0 EIAARN FC(F)Sc1ccc2nc(NC3=NCCCCC3)sc2c1 ZINC000006189629 564081100 /nfs/dbraw/zinc/08/11/00/564081100.db2.gz CJJYHEUSNGKAGB-UHFFFAOYSA-N 0 0 327.425 4.417 50 0 EIAARN O=C1[C@H]2c3ccccc3-c3ccccc3[C@H]2C(=O)N1C1CCCCC1 ZINC000075286044 564081555 /nfs/dbraw/zinc/08/15/55/564081555.db2.gz VXJLULUMNAIZPU-BGYRXZFFSA-N 0 0 331.415 4.236 50 0 EIAARN CCCC[C@H](CC)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000075284187 564081592 /nfs/dbraw/zinc/08/15/92/564081592.db2.gz IJDDRQAEPXCTQV-INIZCTEOSA-N 0 0 330.472 4.468 50 0 EIAARN Clc1ccc(OCCOCCOc2ccc(Cl)cc2)cc1 ZINC000001599571 564081697 /nfs/dbraw/zinc/08/16/97/564081697.db2.gz SDSHYQWZTHPGLQ-UHFFFAOYSA-N 0 0 327.207 4.468 50 0 EIAARN O=C(NCc1ccc(-c2cccs2)o1)NCc1ccc(F)cc1 ZINC000575608861 564082467 /nfs/dbraw/zinc/08/24/67/564082467.db2.gz LGQKQRMKOURPHQ-UHFFFAOYSA-N 0 0 330.384 4.147 50 0 EIAARN Cc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 ZINC000575610898 564082601 /nfs/dbraw/zinc/08/26/01/564082601.db2.gz QXIHSPUNPOSPOL-HNNXBMFYSA-N 0 0 343.473 4.248 50 0 EIAARN Cc1nnc2c3ccccc3nc(Nc3ccc(F)c(Cl)c3)n12 ZINC000016363470 564082712 /nfs/dbraw/zinc/08/27/12/564082712.db2.gz VKKIMUREVAZLEL-UHFFFAOYSA-N 0 0 327.750 4.122 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2nsnc21 ZINC000000502244 564082797 /nfs/dbraw/zinc/08/27/97/564082797.db2.gz HJKSPFSGFAIWKW-UHFFFAOYSA-N 0 0 338.314 4.354 50 0 EIAARN O=C(NCc1cccnc1-c1cccnc1)Nc1cccc(Cl)c1 ZINC000225643444 564082925 /nfs/dbraw/zinc/08/29/25/564082925.db2.gz NFRBBKMJLAGGDC-UHFFFAOYSA-N 0 0 338.798 4.119 50 0 EIAARN O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1 ZINC000006231848 564083118 /nfs/dbraw/zinc/08/31/18/564083118.db2.gz UGBBRXKIBTXING-UHFFFAOYSA-N 0 0 343.732 4.054 50 0 EIAARN COc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2F)cc1 ZINC000006230384 564083119 /nfs/dbraw/zinc/08/31/19/564083119.db2.gz RQDKBNNYJVAKLU-UHFFFAOYSA-N 0 0 339.366 4.270 50 0 EIAARN CCC(NCc1ccccc1)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000006294059 564083675 /nfs/dbraw/zinc/08/36/75/564083675.db2.gz DHZYRQMQYGZCDP-MSUUIHNZSA-N 0 0 340.810 4.055 50 0 EIAARN CC(=O)Nc1cccc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000006305518 564083760 /nfs/dbraw/zinc/08/37/60/564083760.db2.gz QKPMSZCIQZWNAN-UHFFFAOYSA-N 0 0 347.798 4.061 50 0 EIAARN COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000012761936 564084550 /nfs/dbraw/zinc/08/45/50/564084550.db2.gz ICBWORURVQOCTG-YFPIXMDGSA-N 0 0 337.419 4.081 50 0 EIAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCCC(C)C ZINC000016406709 564084812 /nfs/dbraw/zinc/08/48/12/564084812.db2.gz MVXPTSXJQZNWLJ-ZROIWOOFSA-N 0 0 337.466 4.449 50 0 EIAARN O=C(Nc1ccccc1Cl)c1cc(OCc2ccccc2)no1 ZINC000090610016 564084938 /nfs/dbraw/zinc/08/49/38/564084938.db2.gz UHQVXGBDXRXZFT-UHFFFAOYSA-N 0 0 328.755 4.159 50 0 EIAARN Cc1cccc(NC(=O)CN(C)Cc2coc(-c3ccccc3)n2)c1C ZINC000012978737 564084955 /nfs/dbraw/zinc/08/49/55/564084955.db2.gz NRJHJZGHVZKFQZ-UHFFFAOYSA-N 0 0 349.434 4.029 50 0 EIAARN Cc1ccc(C)c(OCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000006336877 564085235 /nfs/dbraw/zinc/08/52/35/564085235.db2.gz UGUZWODFLQBSAF-UHFFFAOYSA-N 0 0 327.468 4.157 50 0 EIAARN CCc1ccccc1OCC(=O)Nc1ccc2nc(C)sc2c1 ZINC000006359369 564085289 /nfs/dbraw/zinc/08/52/89/564085289.db2.gz ATSSIGBXTBZQHW-UHFFFAOYSA-N 0 0 326.421 4.185 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2csc(Nc3ccccc3)n2)c1 ZINC000035596739 564085324 /nfs/dbraw/zinc/08/53/24/564085324.db2.gz VCHHUQAYTQGQBH-UHFFFAOYSA-N 0 0 337.404 4.342 50 0 EIAARN C[C@H](C(=O)c1cccc(Cl)c1)n1cnc(-c2ccccc2)cc1=O ZINC000035597632 564085341 /nfs/dbraw/zinc/08/53/41/564085341.db2.gz USRFMMUHFRQUAQ-CYBMUJFWSA-N 0 0 338.794 4.008 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)OCc1ncc(-c2ccccc2)o1 ZINC000006384124 564085431 /nfs/dbraw/zinc/08/54/31/564085431.db2.gz SCOVZZCJONDMQD-UHFFFAOYSA-N 0 0 332.359 4.109 50 0 EIAARN O=C(CCc1ccc2[nH]c(-c3ccccc3)nc2c1)NC1CCCC1 ZINC000075478950 564086699 /nfs/dbraw/zinc/08/66/99/564086699.db2.gz OPKQYGQNPMTVEW-UHFFFAOYSA-N 0 0 333.435 4.221 50 0 EIAARN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)s1 ZINC000013012391 564086774 /nfs/dbraw/zinc/08/67/74/564086774.db2.gz HSWRZUMBPLTJSF-VIFPVBQESA-N 0 0 339.363 4.043 50 0 EIAARN O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1 ZINC000001749679 564087193 /nfs/dbraw/zinc/08/71/93/564087193.db2.gz ZXWGSLODLGNSKG-UHFFFAOYSA-N 0 0 344.625 4.342 50 0 EIAARN CCCCOC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000001777253 564087531 /nfs/dbraw/zinc/08/75/31/564087531.db2.gz QYRDXRQPYGYUPM-UHFFFAOYSA-N 0 0 336.482 4.006 50 0 EIAARN Cc1ncsc1C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000064317617 564087590 /nfs/dbraw/zinc/08/75/90/564087590.db2.gz YFSOBMKNLAYOLS-UHFFFAOYSA-N 0 0 329.252 4.423 50 0 EIAARN Cc1ccc(-c2nnco2)cc1NCc1cc(F)cc2cccnc21 ZINC000092155509 564088868 /nfs/dbraw/zinc/08/88/68/564088868.db2.gz PHOFYRFLGQVJNL-UHFFFAOYSA-N 0 0 334.354 4.344 50 0 EIAARN COc1ccccc1CCNC(=O)c1oc2ccc(Cl)cc2c1C ZINC000016494739 564089273 /nfs/dbraw/zinc/08/92/73/564089273.db2.gz FEPDQJMYCOHQAO-UHFFFAOYSA-N 0 0 343.810 4.376 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CCC4=CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@H]2O ZINC000252428456 564089382 /nfs/dbraw/zinc/08/93/82/564089382.db2.gz FUOKARGLKLNTHY-MUJBESKKSA-N 0 0 332.484 4.053 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@H]2O ZINC000253497693 564089484 /nfs/dbraw/zinc/08/94/84/564089484.db2.gz FUOKARGLKLNTHY-UXXOSCIKSA-N 0 0 332.484 4.053 50 0 EIAARN CCc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001987233 564090373 /nfs/dbraw/zinc/09/03/73/564090373.db2.gz CLUSUUYFQZVSHB-UHFFFAOYSA-N 0 0 339.435 4.342 50 0 EIAARN NC(=O)c1cccc(Oc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000075668142 564090626 /nfs/dbraw/zinc/09/06/26/564090626.db2.gz URAVZXNFTDCHAV-UHFFFAOYSA-N 0 0 347.399 4.250 50 0 EIAARN Cc1cccc2sc(NC(=O)c3cc(F)c(F)c(F)c3F)nc21 ZINC000006504550 564091116 /nfs/dbraw/zinc/09/11/16/564091116.db2.gz OEBHBXLTQBNLFZ-UHFFFAOYSA-N 0 0 340.301 4.413 50 0 EIAARN O=C(NCCSc1ccc(Br)cc1)c1cccs1 ZINC000006544713 564091907 /nfs/dbraw/zinc/09/19/07/564091907.db2.gz BLLGUPCMLQPRGI-UHFFFAOYSA-N 0 0 342.283 4.033 50 0 EIAARN Cc1cc(=O)oc2cc(OC(=O)Cc3cccc4ccccc43)ccc12 ZINC000007970893 564091944 /nfs/dbraw/zinc/09/19/44/564091944.db2.gz UVVVQJIUCZHGEG-UHFFFAOYSA-N 0 0 344.366 4.403 50 0 EIAARN CC[C@@H](C(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(OC)cc1 ZINC000192604520 564092234 /nfs/dbraw/zinc/09/22/34/564092234.db2.gz KICJYNAUJFBNPY-AEFFLSMTSA-N 0 0 344.480 4.317 50 0 EIAARN Cc1ccc(-c2cncc(C(=O)NCCCc3ccccc3)c2)cc1 ZINC000064568270 564092260 /nfs/dbraw/zinc/09/22/60/564092260.db2.gz VPKIBLPKEYHQRW-UHFFFAOYSA-N 0 0 330.431 4.420 50 0 EIAARN CCc1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000064581013 564092513 /nfs/dbraw/zinc/09/25/13/564092513.db2.gz ANLAJGINXCVCLK-UHFFFAOYSA-N 0 0 339.826 4.018 50 0 EIAARN Cc1nn(C)cc1CCC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000089544343 564092770 /nfs/dbraw/zinc/09/27/70/564092770.db2.gz QBEQXWBAROCEIR-UHFFFAOYSA-N 0 0 339.483 4.259 50 0 EIAARN Cc1cc(C)c(OCC(=O)Nc2cccc(-c3nccn3C)c2)c(C)c1 ZINC000089568817 564092925 /nfs/dbraw/zinc/09/29/25/564092925.db2.gz RXJLUJXEUHKYMQ-UHFFFAOYSA-N 0 0 349.434 4.030 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc12 ZINC000006606585 564093104 /nfs/dbraw/zinc/09/31/04/564093104.db2.gz KKJSAJJFOCFGIC-UHFFFAOYSA-N 0 0 347.292 4.373 50 0 EIAARN CC1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000004854670 564093163 /nfs/dbraw/zinc/09/31/63/564093163.db2.gz HCFXEEFZMGPVPC-UHFFFAOYSA-N 0 0 334.769 4.029 50 0 EIAARN O=C(Nc1cccc(Cl)c1)Nc1cccc(N2CCCC2=O)c1 ZINC000005440624 564093258 /nfs/dbraw/zinc/09/32/58/564093258.db2.gz LWQORKNQRFXBIU-UHFFFAOYSA-N 0 0 329.787 4.111 50 0 EIAARN CCCC[C@H]1C=CCN1C(=O)c1ccc(-c2ccccc2C(N)=O)cc1 ZINC000426372529 564093503 /nfs/dbraw/zinc/09/35/03/564093503.db2.gz VPNZFGFYUVDWTM-SFHVURJKSA-N 0 0 348.446 4.023 50 0 EIAARN CN(Cc1cc(C2CC2)on1)C(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000426386312 564093558 /nfs/dbraw/zinc/09/35/58/564093558.db2.gz LRWRHKZFVQYCLY-RDJZCZTQSA-N 0 0 343.471 4.076 50 0 EIAARN CC(=O)c1sccc1-c1ccc(C(=O)N[C@@H](C)C(F)(F)F)cc1 ZINC000426407567 564093616 /nfs/dbraw/zinc/09/36/16/564093616.db2.gz NQJMATJFLLBSAS-JTQLQIEISA-N 0 0 341.354 4.298 50 0 EIAARN O=C(NCc1cccs1)N(Cc1ccncc1)C1CCCCC1 ZINC000426544375 564094061 /nfs/dbraw/zinc/09/40/61/564094061.db2.gz LIVDXEMZXIBDCK-UHFFFAOYSA-N 0 0 329.469 4.188 50 0 EIAARN CCC[C@@H](NC(=O)c1cccc(-c2ccncc2C)c1)c1nccn1C ZINC000426548543 564094123 /nfs/dbraw/zinc/09/41/23/564094123.db2.gz PVMZDMLVZHZRSE-LJQANCHMSA-N 0 0 348.450 4.062 50 0 EIAARN Cn1c(C(=O)N[C@H]2COC3(C2)CCCCC3)cc2cccc(Cl)c21 ZINC000426574675 564094158 /nfs/dbraw/zinc/09/41/58/564094158.db2.gz GEMFVYSJEQFSBQ-CQSZACIVSA-N 0 0 346.858 4.053 50 0 EIAARN Cc1ccc2cnn(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000064662687 564094863 /nfs/dbraw/zinc/09/48/63/564094863.db2.gz OIVRSJZYVGUUQX-UHFFFAOYSA-N 0 0 330.185 4.187 50 0 EIAARN COc1ccc2c(c1)CCc1cc(C(=O)NCc3ccco3)sc1-2 ZINC000006626302 564094663 /nfs/dbraw/zinc/09/46/63/564094663.db2.gz SXDBJDTUUKCAHH-UHFFFAOYSA-N 0 0 339.416 4.045 50 0 EIAARN Fc1cc(Br)ccc1COc1ncnc2sccc21 ZINC000006628272 564094689 /nfs/dbraw/zinc/09/46/89/564094689.db2.gz GSFCMPQJIXCDNS-UHFFFAOYSA-N 0 0 339.189 4.172 50 0 EIAARN Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)nc2)cc1C ZINC000006635090 564094692 /nfs/dbraw/zinc/09/46/92/564094692.db2.gz OEEYENBZJIYOBB-CYBMUJFWSA-N 0 0 331.799 4.088 50 0 EIAARN Cc1ccc(CSc2nnc(NC(=O)C3CCCC3)s2)cc1 ZINC000006628271 564094719 /nfs/dbraw/zinc/09/47/19/564094719.db2.gz WOACPLPCZPUIID-UHFFFAOYSA-N 0 0 333.482 4.268 50 0 EIAARN O=C(COC(=O)C1CCC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000006638958 564094795 /nfs/dbraw/zinc/09/47/95/564094795.db2.gz DZKCAHXPFXUSAM-UHFFFAOYSA-N 0 0 333.387 4.361 50 0 EIAARN CC[C@@H]1Cn2c(C(=O)NC[C@@H](C)c3ccccc3)cc3cccc(c32)O1 ZINC000064657892 564094813 /nfs/dbraw/zinc/09/48/13/564094813.db2.gz IZBJZPJAPSUQSE-CRAIPNDOSA-N 0 0 348.446 4.346 50 0 EIAARN FC(F)(F)c1nc2c(cnn2-c2cccc(Cl)c2)c(Cl)n1 ZINC000006649816 564095174 /nfs/dbraw/zinc/09/51/74/564095174.db2.gz QJDATPVUJGTCBT-UHFFFAOYSA-N 0 0 333.100 4.141 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)cs2)n1C ZINC000064676559 564095203 /nfs/dbraw/zinc/09/52/03/564095203.db2.gz PTNXNZPZTHVTIK-UHFFFAOYSA-N 0 0 325.437 4.326 50 0 EIAARN O=C(c1ccccc1F)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000064678073 564095331 /nfs/dbraw/zinc/09/53/31/564095331.db2.gz PZBBNDNCBJPHMA-UHFFFAOYSA-N 0 0 345.389 4.286 50 0 EIAARN CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc12 ZINC000006667910 564095675 /nfs/dbraw/zinc/09/56/75/564095675.db2.gz ZEENWVIQNBKDIF-YOEHRIQHSA-N 0 0 347.480 4.096 50 0 EIAARN Cc1c(C)n(Cc2cccnc2)c2ncnc(NCc3ccccc3)c12 ZINC000006669563 564095702 /nfs/dbraw/zinc/09/57/02/564095702.db2.gz YKOKEPBRDBUGNJ-UHFFFAOYSA-N 0 0 343.434 4.104 50 0 EIAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2C)cc1OC ZINC000007973191 564096402 /nfs/dbraw/zinc/09/64/02/564096402.db2.gz YNWHIDZCNDCLPK-UHFFFAOYSA-N 0 0 325.364 4.401 50 0 EIAARN CCN(Cc1nccn1Cc1cccc(Cl)c1)C(=O)C1CCCC1 ZINC000006723588 564096460 /nfs/dbraw/zinc/09/64/60/564096460.db2.gz ZESPDZLAUAUKGU-UHFFFAOYSA-N 0 0 345.874 4.124 50 0 EIAARN CSc1ccc([C@H]2OC(c3cccc(Cl)c3)=NN2C(C)=O)cc1 ZINC000064819737 564096564 /nfs/dbraw/zinc/09/65/64/564096564.db2.gz GZKHICXFDSDAKW-QGZVFWFLSA-N 0 0 346.839 4.301 50 0 EIAARN COc1ccc(Cl)cc1-n1nnc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000006743136 564096855 /nfs/dbraw/zinc/09/68/55/564096855.db2.gz GZUDYRZCTAIDEC-UHFFFAOYSA-N 0 0 342.830 4.289 50 0 EIAARN CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2)cc1 ZINC000006747430 564096947 /nfs/dbraw/zinc/09/69/47/564096947.db2.gz LUMHEVPSIKAVMZ-UHFFFAOYSA-N 0 0 349.430 4.450 50 0 EIAARN CCOc1cccc2c1Oc1nc(-c3ccc(F)cc3)[nH]c(=O)c1C2 ZINC000006748456 564097024 /nfs/dbraw/zinc/09/70/24/564097024.db2.gz XLOMBBNQNWBXCK-UHFFFAOYSA-N 0 0 338.338 4.084 50 0 EIAARN CCOc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(F)ccc2O3)cc1 ZINC000006748559 564097060 /nfs/dbraw/zinc/09/70/60/564097060.db2.gz STCRFYMRHYDIBE-UHFFFAOYSA-N 0 0 338.338 4.084 50 0 EIAARN Cc1oc(-c2cccs2)nc1CSc1nc2cc[nH]cc-2n1 ZINC000006752347 564097169 /nfs/dbraw/zinc/09/71/69/564097169.db2.gz GNJVXKJSCMIPDP-UHFFFAOYSA-N 0 0 328.422 4.275 50 0 EIAARN Cc1c2c(n(Cc3cccc(C)c3)c1C(=O)NCC(C)C)CCCC2 ZINC000006766848 564097365 /nfs/dbraw/zinc/09/73/65/564097365.db2.gz YLNIYZLTZBWKJF-UHFFFAOYSA-N 0 0 338.495 4.418 50 0 EIAARN Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000006767142 564097387 /nfs/dbraw/zinc/09/73/87/564097387.db2.gz ZXRRWQNBWSBKQY-QGZVFWFLSA-N 0 0 346.430 4.279 50 0 EIAARN CC[C@H](C)NC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780448 564097597 /nfs/dbraw/zinc/09/75/97/564097597.db2.gz OTCGGFBUSWOAPM-LBPRGKRZSA-N 0 0 327.453 4.232 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1OC ZINC000006786651 564097723 /nfs/dbraw/zinc/09/77/23/564097723.db2.gz VZJHSEQIVJAJSZ-UHFFFAOYSA-N 0 0 343.423 4.443 50 0 EIAARN CC(C)c1ccc(NC(=O)[C@H](C)n2sc3ccccc3c2=O)cc1 ZINC000006799945 564098124 /nfs/dbraw/zinc/09/81/24/564098124.db2.gz DSXABNLKKWTXMU-ZDUSSCGKSA-N 0 0 340.448 4.386 50 0 EIAARN CCCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2ccccc21 ZINC000064963667 564098627 /nfs/dbraw/zinc/09/86/27/564098627.db2.gz UDUSBZNIKLLMBS-UHFFFAOYSA-N 0 0 345.402 4.437 50 0 EIAARN O=C1N[C@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CCC3 ZINC000006814298 564098657 /nfs/dbraw/zinc/09/86/57/564098657.db2.gz QIJAKDSYQTUOAK-ZDUSSCGKSA-N 0 0 339.247 4.398 50 0 EIAARN CCOc1ccccc1Nc1nnc(SCCSC)s1 ZINC000006820486 564098797 /nfs/dbraw/zinc/09/87/97/564098797.db2.gz SEYOAOMTLFNXGY-UHFFFAOYSA-N 0 0 327.500 4.136 50 0 EIAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccc(F)cc1 ZINC000006818466 564098777 /nfs/dbraw/zinc/09/87/77/564098777.db2.gz LUELDNQXCNIDGB-UHFFFAOYSA-N 0 0 326.346 4.198 50 0 EIAARN CCCCOC(=O)c1cn(-c2ccc(C)cc2)c(=O)c2ccccc12 ZINC000064977217 564098839 /nfs/dbraw/zinc/09/88/39/564098839.db2.gz KNQJAWBYPBQCFA-UHFFFAOYSA-N 0 0 335.403 4.256 50 0 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CN(C)C(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000013626565 564111835 /nfs/dbraw/zinc/11/18/35/564111835.db2.gz SMEPUIPDMDWIIB-UHFFFAOYSA-N 0 0 344.414 4.308 50 0 EIAARN COc1ccc(-c2cccc(NC(=O)Nc3cc(C)cc(C)c3)c2)nn1 ZINC000013614381 564111862 /nfs/dbraw/zinc/11/18/62/564111862.db2.gz NTBRSNRCKAHCQW-UHFFFAOYSA-N 0 0 348.406 4.413 50 0 EIAARN O=C(Nc1cc(F)c(F)cc1Cl)N[C@H]1CCOC2(CCCC2)C1 ZINC000089762011 564113612 /nfs/dbraw/zinc/11/36/12/564113612.db2.gz PFCKUGROZHTCGR-JTQLQIEISA-N 0 0 344.789 4.232 50 0 EIAARN O=C(NCc1cc(-c2ccccc2F)on1)c1cc2ccccc2o1 ZINC000016838509 564113677 /nfs/dbraw/zinc/11/36/77/564113677.db2.gz XQUDMOIFAUNDDC-UHFFFAOYSA-N 0 0 336.322 4.157 50 0 EIAARN O=C(c1ccccc1SCc1cscn1)N1C[C@@H]2CCC[C@H]2C1 ZINC000089809606 564113974 /nfs/dbraw/zinc/11/39/74/564113974.db2.gz JUFDMSBPTQOYDJ-KBPBESRZSA-N 0 0 344.505 4.308 50 0 EIAARN O=C(Cn1ccc2ccccc21)NCc1nc(-c2ccccc2)cs1 ZINC000089851283 564114404 /nfs/dbraw/zinc/11/44/04/564114404.db2.gz GULTYYHAFUMGLS-UHFFFAOYSA-N 0 0 347.443 4.081 50 0 EIAARN CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1cc[nH]n1 ZINC000089869619 564114618 /nfs/dbraw/zinc/11/46/18/564114618.db2.gz WNBFCCMEYRSMPX-UHFFFAOYSA-N 0 0 343.427 4.328 50 0 EIAARN O=C(c1cc2c(nc3sccn23)s1)N1CCC[C@@H]1C1CCCC1 ZINC000089885400 564114683 /nfs/dbraw/zinc/11/46/83/564114683.db2.gz ACGPFSDATBJUMW-GFCCVEGCSA-N 0 0 345.493 4.405 50 0 EIAARN C[C@@H](Oc1ccc2c(c1)CCCC2=O)c1nnc(-c2ccccc2)o1 ZINC000089913786 564115220 /nfs/dbraw/zinc/11/52/20/564115220.db2.gz BALOUSUXHKMAJG-CYBMUJFWSA-N 0 0 334.375 4.396 50 0 EIAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnc2c(cnn2C2CCCC2)c1 ZINC000089927634 564115307 /nfs/dbraw/zinc/11/53/07/564115307.db2.gz MDTJVGKIUXFCTD-KDOFPFPSSA-N 0 0 340.471 4.197 50 0 EIAARN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)o1 ZINC000089922272 564115449 /nfs/dbraw/zinc/11/54/49/564115449.db2.gz NHKUBOHGHBABCN-UGSOOPFHSA-N 0 0 349.434 4.013 50 0 EIAARN CCO[C@H](CCNC(=O)CSc1ccc2ccccc2c1)C(C)C ZINC000076092848 564115657 /nfs/dbraw/zinc/11/56/57/564115657.db2.gz PQGDQSPYDUGIGO-LJQANCHMSA-N 0 0 345.508 4.499 50 0 EIAARN CC[C@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1nccs1 ZINC000089948036 564115719 /nfs/dbraw/zinc/11/57/19/564115719.db2.gz JQTBKVZPNMBPCP-INIZCTEOSA-N 0 0 347.459 4.498 50 0 EIAARN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c(O)c1 ZINC000675589434 564116015 /nfs/dbraw/zinc/11/60/15/564116015.db2.gz VNEJNZJARQCOFJ-MRXNPFEDSA-N 0 0 336.391 4.209 50 0 EIAARN O=C(Nc1ccc(Oc2cccnc2)nc1)c1cccc2cc[nH]c21 ZINC000089993710 564116165 /nfs/dbraw/zinc/11/61/65/564116165.db2.gz HIVUJWBLISZMIP-UHFFFAOYSA-N 0 0 330.347 4.003 50 0 EIAARN Cc1ccc2nc3sc(Nc4ccc(Cl)cc4)nn3c(=O)c2c1 ZINC000017121823 564116484 /nfs/dbraw/zinc/11/64/84/564116484.db2.gz JZMZWXNWUOOKAM-UHFFFAOYSA-N 0 0 342.811 4.010 50 0 EIAARN C[C@H](NC(=O)c1ccc(Br)o1)c1ccc2c(c1)CCCC2 ZINC000018212560 564116599 /nfs/dbraw/zinc/11/65/99/564116599.db2.gz WYNZUSYLDOIAOX-NSHDSACASA-N 0 0 348.240 4.412 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c(C)c1 ZINC000000150371 564116665 /nfs/dbraw/zinc/11/66/65/564116665.db2.gz CONRWDBCPFRZIS-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN COc1cc(OC)cc(C(=O)Oc2ccc(Cl)c3cccnc23)c1 ZINC000001057734 564116822 /nfs/dbraw/zinc/11/68/22/564116822.db2.gz ASHNXNDJSBXIBU-UHFFFAOYSA-N 0 0 343.766 4.125 50 0 EIAARN Cc1ccc(N2C(=O)CSC23CCCCC3)cc1Br ZINC000001099719 564116858 /nfs/dbraw/zinc/11/68/58/564116858.db2.gz CUFLJZAOOFBKKU-UHFFFAOYSA-N 0 0 340.286 4.498 50 0 EIAARN CCCOc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000002081097 564117117 /nfs/dbraw/zinc/11/71/17/564117117.db2.gz RLZUHPNGSHKASZ-GZTJUZNOSA-N 0 0 341.794 4.473 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000006697488 564117416 /nfs/dbraw/zinc/11/74/16/564117416.db2.gz WSEVYHCTIKGDIB-UHFFFAOYSA-N 0 0 348.642 4.411 50 0 EIAARN CCNC(=O)Nc1cccc(C)c1NC(=O)c1ccc(Cl)cc1 ZINC000006745651 564117492 /nfs/dbraw/zinc/11/74/92/564117492.db2.gz RKOHPXVQZZRIEV-UHFFFAOYSA-N 0 0 331.803 4.042 50 0 EIAARN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nn1cnc2ccccc21 ZINC000170639221 564117577 /nfs/dbraw/zinc/11/75/77/564117577.db2.gz JMEUODURVRQTSA-OAHLLOKOSA-N 0 0 336.439 4.185 50 0 EIAARN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)C[C@@H]1CCOC1 ZINC000366519948 564117849 /nfs/dbraw/zinc/11/78/49/564117849.db2.gz ZLFUJKXXHATKGQ-STSQHVNTSA-N 0 0 349.474 4.018 50 0 EIAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccccc1C)CO3 ZINC000002117178 564118212 /nfs/dbraw/zinc/11/82/12/564118212.db2.gz DRUGVFUPRWRWOV-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN c1ccc(Oc2ccc(-c3noc([C@@H]4CC45CCOCC5)n3)cn2)cc1 ZINC000252480700 564119173 /nfs/dbraw/zinc/11/91/73/564119173.db2.gz CDPSIVUVOLYRIJ-INIZCTEOSA-N 0 0 349.390 4.208 50 0 EIAARN O=C(C[C@@H]1CCCOC1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000193377432 564119487 /nfs/dbraw/zinc/11/94/87/564119487.db2.gz YDEFKMPHKBDWAX-ZDUSSCGKSA-N 0 0 346.814 4.283 50 0 EIAARN CC(C)(C)OC(=O)N=c1[nH]cc(CNc2ccc(Cl)cn2)s1 ZINC000252490698 564119488 /nfs/dbraw/zinc/11/94/88/564119488.db2.gz KZEZZHQQKRXTTE-UHFFFAOYSA-N 0 0 340.836 4.151 50 0 EIAARN CSCc1nnc(SCC(=O)c2cccc(Cl)c2Cl)o1 ZINC000252502257 564119855 /nfs/dbraw/zinc/11/98/55/564119855.db2.gz UOTUAFLOABHKSB-UHFFFAOYSA-N 0 0 349.264 4.214 50 0 EIAARN Cc1nnc([C@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000252508900 564119989 /nfs/dbraw/zinc/11/99/89/564119989.db2.gz XXCIGZQKWTYMHK-MNOVXSKESA-N 0 0 335.448 4.186 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@]2(C)OC(=O)CC[C@@H]32)C1 ZINC000252517496 564120295 /nfs/dbraw/zinc/12/02/95/564120295.db2.gz KCXUMZXWLRGXME-BPOVIGQYSA-N 0 0 348.483 4.256 50 0 EIAARN CC(C)Cn1ccnc1CN[C@@H](C)c1cc(Br)cs1 ZINC000194056434 564120376 /nfs/dbraw/zinc/12/03/76/564120376.db2.gz MLBDKWKMWMTKTK-NSHDSACASA-N 0 0 342.306 4.214 50 0 EIAARN c1nc(COc2cccc(N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)c2)cs1 ZINC000194160506 564120436 /nfs/dbraw/zinc/12/04/36/564120436.db2.gz CREWLHZUAQZBJT-KZNAEPCWSA-N 0 0 342.464 4.092 50 0 EIAARN OCC1CCN(c2ccccc2NCc2sccc2Cl)CC1 ZINC000194469463 564120540 /nfs/dbraw/zinc/12/05/40/564120540.db2.gz IUJUDYRHXPDIOJ-UHFFFAOYSA-N 0 0 336.888 4.222 50 0 EIAARN Cc1noc([C@@H]2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1 ZINC000054661494 564120643 /nfs/dbraw/zinc/12/06/43/564120643.db2.gz GJTMUUXWSISGEJ-LJQANCHMSA-N 0 0 347.418 4.065 50 0 EIAARN CCOc1ccc(N2C(=O)S/C(=C\c3cccs3)C2=O)cc1 ZINC000002199594 564120814 /nfs/dbraw/zinc/12/08/14/564120814.db2.gz FBOGVHCVTFBNJI-UVTDQMKNSA-N 0 0 331.418 4.388 50 0 EIAARN Cc1ccc(NCC2=Cc3ccccc3OC2)cc1O[C@H]1CCOC1 ZINC000170653027 564120912 /nfs/dbraw/zinc/12/09/12/564120912.db2.gz DVWFJKZIOZWTCI-IBGZPJMESA-N 0 0 337.419 4.051 50 0 EIAARN Cn1cccc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C(C)(C)C)C3 ZINC000007660691 564121645 /nfs/dbraw/zinc/12/16/45/564121645.db2.gz ZSTBQKWZKLTCTE-BDJLRTHQSA-N 0 0 343.496 4.092 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000007683960 564121905 /nfs/dbraw/zinc/12/19/05/564121905.db2.gz BRWNJYQHKGQRFI-UHFFFAOYSA-N 0 0 338.432 4.390 50 0 EIAARN COC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000252613973 564122005 /nfs/dbraw/zinc/12/20/05/564122005.db2.gz JGDURXGQAQNKCQ-WOCWXWTJSA-N 0 0 328.408 4.257 50 0 EIAARN C[C@@H](NC(=O)CSc1ccccn1)c1ccc(Cl)cc1Cl ZINC000007699804 564122026 /nfs/dbraw/zinc/12/20/26/564122026.db2.gz MUKYYYGAHXFRES-SNVBAGLBSA-N 0 0 341.263 4.358 50 0 EIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)cc1F ZINC000007706065 564122106 /nfs/dbraw/zinc/12/21/06/564122106.db2.gz CTANWJBFNRZQKU-JTQLQIEISA-N 0 0 332.375 4.408 50 0 EIAARN c1csc(-c2nc(CSc3nnc4n3CCCCC4)cs2)c1 ZINC000007735585 564122418 /nfs/dbraw/zinc/12/24/18/564122418.db2.gz VKUQBCKYQXOJAI-UHFFFAOYSA-N 0 0 348.522 4.482 50 0 EIAARN CCc1nc2ccccc2n1Cc1c(F)c(F)c(F)c(F)c1F ZINC000007738729 564122515 /nfs/dbraw/zinc/12/25/15/564122515.db2.gz AOWVOBKHPYXDTO-UHFFFAOYSA-N 0 0 326.268 4.343 50 0 EIAARN O=C(Cc1cccc(F)c1)Nc1ccc(Br)cc1Cl ZINC000007748097 564122605 /nfs/dbraw/zinc/12/26/05/564122605.db2.gz ZWNNXLAYKSWVPA-UHFFFAOYSA-N 0 0 342.595 4.423 50 0 EIAARN c1c[nH]c([C@@H](Nc2cccc(N3CCCCCC3)c2)c2cccnc2)n1 ZINC000195110450 564122800 /nfs/dbraw/zinc/12/28/00/564122800.db2.gz WNWDUCFOGSHKQG-FQEVSTJZSA-N 0 0 347.466 4.387 50 0 EIAARN CCc1onc(C)c1C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000195204581 564122981 /nfs/dbraw/zinc/12/29/81/564122981.db2.gz BZVYPFYEEPUTTC-UHFFFAOYSA-N 0 0 349.228 4.049 50 0 EIAARN COc1ccc(NC(=O)c2cccnc2Nc2ccccc2OC)cc1 ZINC000007787134 564123290 /nfs/dbraw/zinc/12/32/90/564123290.db2.gz ZYMLUYJQUVURBE-UHFFFAOYSA-N 0 0 349.390 4.095 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)Cc1ccsc1 ZINC000195410158 564123384 /nfs/dbraw/zinc/12/33/84/564123384.db2.gz IBPXBXQLCVKEJY-QGZVFWFLSA-N 0 0 339.464 4.024 50 0 EIAARN CCCCc1nnc(NC(=O)c2oc3ccc(OC)cc3c2C)s1 ZINC000007800132 564123432 /nfs/dbraw/zinc/12/34/32/564123432.db2.gz MEHXGEQGHJMVPF-UHFFFAOYSA-N 0 0 345.424 4.196 50 0 EIAARN CCOc1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000007807468 564123601 /nfs/dbraw/zinc/12/36/01/564123601.db2.gz QBCHFFBNMBKEKT-UHFFFAOYSA-N 0 0 344.461 4.452 50 0 EIAARN Cc1cc([C@H](C)NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C)o1 ZINC000195564915 564123850 /nfs/dbraw/zinc/12/38/50/564123850.db2.gz VZTGMAFFVRKRBC-UCLAIMLFSA-N 0 0 342.439 4.177 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3F)s2)cs1 ZINC000007821316 564124035 /nfs/dbraw/zinc/12/40/35/564124035.db2.gz COTQJDICHNPYFR-UHFFFAOYSA-N 0 0 332.425 4.249 50 0 EIAARN CCCCc1cc2c(cc1OC(C)=O)occ(-c1ccccn1)c2=O ZINC000001886807 564124992 /nfs/dbraw/zinc/12/49/92/564124992.db2.gz SESLFFZCXNRRMP-UHFFFAOYSA-N 0 0 337.375 4.123 50 0 biogenic EIAARN CCc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)s1 ZINC000007905458 564125031 /nfs/dbraw/zinc/12/50/31/564125031.db2.gz QLSJFEPUQQGTGX-UHFFFAOYSA-N 0 0 333.482 4.089 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CCCCCC2 ZINC000007911665 564125103 /nfs/dbraw/zinc/12/51/03/564125103.db2.gz IOQDBHVEPSBZLQ-UHFFFAOYSA-N 0 0 343.448 4.066 50 0 EIAARN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(Cl)cc1Cl)C2=O ZINC000003097281 564125290 /nfs/dbraw/zinc/12/52/90/564125290.db2.gz IVFFJUAKHSVYDY-MGPLVRAMSA-N 0 0 326.223 4.309 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000002260669 564125357 /nfs/dbraw/zinc/12/53/57/564125357.db2.gz XYQUHIJGZBMFSN-UHFFFAOYSA-N 0 0 339.622 4.427 50 0 EIAARN CCCCNc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000002269839 564125427 /nfs/dbraw/zinc/12/54/27/564125427.db2.gz YJLVYKZMAUPBIU-UHFFFAOYSA-N 0 0 342.468 4.303 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1csc(-c2cccs2)n1 ZINC000007920230 564125432 /nfs/dbraw/zinc/12/54/32/564125432.db2.gz BZBVRLYSOSZEDC-UHFFFAOYSA-N 0 0 330.434 4.441 50 0 EIAARN CN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccsc1 ZINC000007926903 564125552 /nfs/dbraw/zinc/12/55/52/564125552.db2.gz SIFXZFYIQMPNLB-UHFFFAOYSA-N 0 0 329.252 4.125 50 0 EIAARN Cc1ccc(/[S@](C)=N/S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000019910965 564129082 /nfs/dbraw/zinc/12/90/82/564129082.db2.gz KZNMIKSUIQFFKR-JOCHJYFZSA-N 0 0 343.473 4.328 50 0 EIAARN CN(c1ncnc2c1ncn2-c1ccc(Cl)cc1)C1CCCCC1 ZINC000019928116 564129127 /nfs/dbraw/zinc/12/91/27/564129127.db2.gz YPLGLWTZWXPRKM-UHFFFAOYSA-N 0 0 341.846 4.238 50 0 EIAARN CSc1cccc(F)c1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000253395005 564130511 /nfs/dbraw/zinc/13/05/11/564130511.db2.gz KYWGYVVZPKCGPB-UHFFFAOYSA-N 0 0 344.411 4.075 50 0 EIAARN Cc1cc2ncn([C@H](C)c3nc(-c4cnccn4)cs3)c2cc1C ZINC000253416521 564130749 /nfs/dbraw/zinc/13/07/49/564130749.db2.gz NKRJZJJMFGGHGV-CYBMUJFWSA-N 0 0 335.436 4.176 50 0 EIAARN CSc1ccccc1NC(=O)c1noc2c1CCc1ccccc1-2 ZINC000002465978 564131402 /nfs/dbraw/zinc/13/14/02/564131402.db2.gz PKQLDPOWPSFYEK-UHFFFAOYSA-N 0 0 336.416 4.414 50 0 EIAARN COc1ccccc1OCc1nc(C2CC2)nn1C1CCCCC1 ZINC000584890526 564131523 /nfs/dbraw/zinc/13/15/23/564131523.db2.gz WCANVYZWOXRGTB-UHFFFAOYSA-N 0 0 327.428 4.248 50 0 EIAARN Cc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)c(C)c1 ZINC000002310113 564132142 /nfs/dbraw/zinc/13/21/42/564132142.db2.gz YIGZGPZMEFPPPN-UHFFFAOYSA-N 0 0 329.407 4.235 50 0 EIAARN Fc1ccc(C2(CNc3nc4ccccc4o3)CCOCC2)cc1 ZINC000054981833 564132218 /nfs/dbraw/zinc/13/22/18/564132218.db2.gz HXZJGKSLBGXWES-UHFFFAOYSA-N 0 0 326.371 4.127 50 0 EIAARN CO[C@@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000253473168 564132679 /nfs/dbraw/zinc/13/26/79/564132679.db2.gz RXLVVDOBXORMNE-ZDUSSCGKSA-N 0 0 335.812 4.265 50 0 EIAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1ccsc1 ZINC000253531054 564133015 /nfs/dbraw/zinc/13/30/15/564133015.db2.gz HXWMAALAZFAZQD-LRDDRELGSA-N 0 0 325.437 4.295 50 0 EIAARN CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000513067063 564133598 /nfs/dbraw/zinc/13/35/98/564133598.db2.gz BXIUZBBCKAZRBL-MRXNPFEDSA-N 0 0 341.430 4.036 50 0 EIAARN Cc1nc(COc2ccc(C(=O)Nc3cccc(F)c3)cc2)cs1 ZINC000007940319 564133626 /nfs/dbraw/zinc/13/36/26/564133626.db2.gz YXEPLMLUXPHHHS-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN O=C(NCc1cccc(-c2ncc[nH]2)c1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000585123570 564133996 /nfs/dbraw/zinc/13/39/96/564133996.db2.gz CQGRQRQNNZIFQW-UYAOXDASSA-N 0 0 345.446 4.277 50 0 EIAARN Cc1ccc(CCC(=O)N2CCC(c3ccc(O)cc3)CC2)c(C)c1 ZINC000055125066 564134041 /nfs/dbraw/zinc/13/40/41/564134041.db2.gz UWRNBPBZUUGDOA-UHFFFAOYSA-N 0 0 337.463 4.348 50 0 EIAARN Cc1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1C ZINC000002398747 564134505 /nfs/dbraw/zinc/13/45/05/564134505.db2.gz GQHLMFOMYCGUER-UHFFFAOYSA-N 0 0 339.370 4.064 50 0 EIAARN Clc1ccc(Cl)c(-c2nn3c(nnc3-c3ccncc3)s2)c1 ZINC000002432009 564135140 /nfs/dbraw/zinc/13/51/40/564135140.db2.gz PLKSHRNGTCHKLI-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN COc1ccc(C)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000013097530 564135976 /nfs/dbraw/zinc/13/59/76/564135976.db2.gz WFVOTAVMQIWTFL-GDNBJRDFSA-N 0 0 327.767 4.002 50 0 EIAARN C[C@H]1CCc2sc3nc(NCc4ccccc4)n4ncnc4c3c2C1 ZINC000002454456 564136030 /nfs/dbraw/zinc/13/60/30/564136030.db2.gz ZXVGMWQTOZQUQO-LBPRGKRZSA-N 0 0 349.463 4.076 50 0 EIAARN CC(C)(C)C1CCC(O)(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000078646886 564136452 /nfs/dbraw/zinc/13/64/52/564136452.db2.gz JOHHTKYFFTVMDJ-PRXLTWQTSA-N 0 0 347.474 4.013 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2-c2nnc(C)o2)C1(C)C ZINC000078912562 564137414 /nfs/dbraw/zinc/13/74/14/564137414.db2.gz KMGDCBDJKGAFHV-GOEBONIOSA-N 0 0 325.412 4.222 50 0 EIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000079112714 564137991 /nfs/dbraw/zinc/13/79/91/564137991.db2.gz YNNOSMOXHOBFKK-QGZVFWFLSA-N 0 0 348.368 4.422 50 0 EIAARN CC[C@H](C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1)c1ccccc1 ZINC000079361088 564138128 /nfs/dbraw/zinc/13/81/28/564138128.db2.gz VGEAXJCSRQIEDP-QMHKHESXSA-N 0 0 349.883 4.351 50 0 EIAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](C(F)(F)F)SCC(=O)N2 ZINC000079488252 564138200 /nfs/dbraw/zinc/13/82/00/564138200.db2.gz ZQQLHYPQXQVCID-NSHDSACASA-N 0 0 349.378 4.422 50 0 EIAARN O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC[C@H](C(F)(F)F)C1 ZINC000278206983 564138284 /nfs/dbraw/zinc/13/82/84/564138284.db2.gz GRPNRZYDZSUPGH-IVZWLZJFSA-N 0 0 337.794 4.306 50 0 EIAARN Cc1ccc(-c2cccnc2)cc1NC(=O)NCC(F)(F)C(F)F ZINC000374714769 564138305 /nfs/dbraw/zinc/13/83/05/564138305.db2.gz JNULAZNKVAYVOX-UHFFFAOYSA-N 0 0 341.308 4.079 50 0 EIAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1ccc2c(c1)OCO2 ZINC000390826327 564138475 /nfs/dbraw/zinc/13/84/75/564138475.db2.gz IFHSPAOGZOHJHX-MRXNPFEDSA-N 0 0 343.429 4.058 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)NCCc1ccc(-c2ccoc2)s1 ZINC000390831844 564138694 /nfs/dbraw/zinc/13/86/94/564138694.db2.gz VJWGTSDMJWOUES-CQSZACIVSA-N 0 0 341.432 4.134 50 0 EIAARN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccnc1C1CC1 ZINC000390833569 564138820 /nfs/dbraw/zinc/13/88/20/564138820.db2.gz JLZFHDUIJWJDQJ-UHFFFAOYSA-N 0 0 346.390 4.139 50 0 EIAARN CSc1ccc(-c2nsc(NC(=O)c3cccc(F)c3)n2)cc1 ZINC000080343781 564139312 /nfs/dbraw/zinc/13/93/12/564139312.db2.gz SHJOPOGWJSTGDE-UHFFFAOYSA-N 0 0 345.424 4.318 50 0 EIAARN CCc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080345062 564139351 /nfs/dbraw/zinc/13/93/51/564139351.db2.gz WLMCEWHBFWKOAP-GHMZBOCLSA-N 0 0 342.251 4.150 50 0 EIAARN CC[S@](=O)c1ccccc1NC(=O)c1oc2ccc(C)cc2c1C ZINC000080344469 564139357 /nfs/dbraw/zinc/13/93/57/564139357.db2.gz NHWFLJUACQMTLL-XMMPIXPASA-N 0 0 341.432 4.429 50 0 EIAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000095381709 564139371 /nfs/dbraw/zinc/13/93/71/564139371.db2.gz NZRUSEYMSRVDCX-NWDGAFQWSA-N 0 0 338.329 4.107 50 0 EIAARN O=C(Nc1cccc2ccccc21)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000080344732 564139376 /nfs/dbraw/zinc/13/93/76/564139376.db2.gz ZDEABBAHRCGTOK-ZWKOTPCHSA-N 0 0 345.398 4.353 50 0 EIAARN Cc1csc([C@H](Nc2cc(C)nc(-c3ccccn3)n2)C2CC2)n1 ZINC000095403303 564139555 /nfs/dbraw/zinc/13/95/55/564139555.db2.gz SKZJAZMVYZTUHK-MRXNPFEDSA-N 0 0 337.452 4.175 50 0 EIAARN Cc1cnc([C@H](NC(=O)N([C@H](C)c2ccco2)C2CC2)C2CC2)s1 ZINC000095409967 564139646 /nfs/dbraw/zinc/13/96/46/564139646.db2.gz VEBXGJDGAOVGPP-MLGOLLRUSA-N 0 0 345.468 4.431 50 0 EIAARN CCc1cnc([C@@H](C)NC(=O)N([C@@H](C)c2ccco2)C2CC2)s1 ZINC000095409993 564139653 /nfs/dbraw/zinc/13/96/53/564139653.db2.gz IWMJYFIZEHOASA-NEPJUHHUSA-N 0 0 333.457 4.295 50 0 EIAARN O=C(Cc1cccc(F)c1F)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000095410124 564139664 /nfs/dbraw/zinc/13/96/64/564139664.db2.gz OQCZEFGRLCPXSF-UHFFFAOYSA-N 0 0 347.292 4.045 50 0 EIAARN CCc1cnc([C@H](C)NC(=O)N([C@H](C)c2ccco2)C2CC2)s1 ZINC000095409996 564139690 /nfs/dbraw/zinc/13/96/90/564139690.db2.gz IWMJYFIZEHOASA-NWDGAFQWSA-N 0 0 333.457 4.295 50 0 EIAARN Cc1cnc([C@@H](C)NC(=O)N(Cc2ccccc2F)C2CCC2)s1 ZINC000095412582 564139709 /nfs/dbraw/zinc/13/97/09/564139709.db2.gz GEJJGDTZQVHMOM-CYBMUJFWSA-N 0 0 347.459 4.416 50 0 EIAARN CC[C@@H](OC1CCCCC1)C(=O)Nc1ccccc1-c1noc(C)n1 ZINC000095414642 564139739 /nfs/dbraw/zinc/13/97/39/564139739.db2.gz SKHUGRJAWXSTIP-QGZVFWFLSA-N 0 0 343.427 4.111 50 0 EIAARN Cc1nc(C)c(CNc2cccc(NC(=O)c3ccoc3)c2)s1 ZINC000095428904 564140277 /nfs/dbraw/zinc/14/02/77/564140277.db2.gz UADUVHUIHHNYKN-UHFFFAOYSA-N 0 0 327.409 4.217 50 0 EIAARN c1cc(-c2nc(CNc3cccc(-n4cnnc4)c3)cs2)cs1 ZINC000095428714 564140286 /nfs/dbraw/zinc/14/02/86/564140286.db2.gz LKCMPZKCDVIYET-UHFFFAOYSA-N 0 0 339.449 4.064 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N(C[C@@H](C)O)C(C)C)c(F)c2)cc1 ZINC000095432290 564140339 /nfs/dbraw/zinc/14/03/39/564140339.db2.gz YLENQLOBTKOMMI-OAHLLOKOSA-N 0 0 329.415 4.033 50 0 EIAARN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000095431754 564140358 /nfs/dbraw/zinc/14/03/58/564140358.db2.gz XVLRPJMLOASMTM-OAHLLOKOSA-N 0 0 325.408 4.329 50 0 EIAARN O=C(c1ccc(Cl)o1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000095434234 564140385 /nfs/dbraw/zinc/14/03/85/564140385.db2.gz PGQSRWLOXXITKX-STQMWFEESA-N 0 0 337.803 4.035 50 0 EIAARN Cc1cc(C)cc(NC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000095442117 564140488 /nfs/dbraw/zinc/14/04/88/564140488.db2.gz ZBIPSDTVJSMIKM-INIZCTEOSA-N 0 0 346.471 4.279 50 0 EIAARN CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cc(F)ccc2F)CCO1 ZINC000095465794 564141010 /nfs/dbraw/zinc/14/10/10/564141010.db2.gz JMBQOVQXTUNXCD-CZUORRHYSA-N 0 0 326.387 4.070 50 0 EIAARN CC(C)n1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000095474155 564141375 /nfs/dbraw/zinc/14/13/75/564141375.db2.gz ZGHNSOBBCSFJPA-OAQYLSRUSA-N 0 0 348.446 4.436 50 0 EIAARN CC(=O)Nc1ccc2onc(CSc3nc4ccccc4o3)c2c1 ZINC000095482010 564141591 /nfs/dbraw/zinc/14/15/91/564141591.db2.gz ZJWYRRLXHQGRFI-UHFFFAOYSA-N 0 0 339.376 4.220 50 0 EIAARN CCS[C@H]1CCC[C@H](NC(=O)Nc2ccccc2-c2cn[nH]c2)C1 ZINC000095945359 564142168 /nfs/dbraw/zinc/14/21/68/564142168.db2.gz KUWRCJSXWBWPDI-GJZGRUSLSA-N 0 0 344.484 4.263 50 0 EIAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@H]1c1ccccc1Cl ZINC000095954048 564142456 /nfs/dbraw/zinc/14/24/56/564142456.db2.gz WORQUPYGFYSVSM-INIZCTEOSA-N 0 0 325.799 4.194 50 0 EIAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@@H]1c1ccccc1Cl ZINC000095954047 564142467 /nfs/dbraw/zinc/14/24/67/564142467.db2.gz WORQUPYGFYSVSM-MRXNPFEDSA-N 0 0 325.799 4.194 50 0 EIAARN O=C(c1ccc(NCc2ccccc2F)nc1)N1CCc2ccccc21 ZINC000095958745 564142623 /nfs/dbraw/zinc/14/26/23/564142623.db2.gz NGKNHGVILBWLNU-UHFFFAOYSA-N 0 0 347.393 4.036 50 0 EIAARN Clc1ccc(Cc2noc(C[C@H]3OCCc4ccccc43)n2)cc1 ZINC000095959827 564142675 /nfs/dbraw/zinc/14/26/75/564142675.db2.gz SKGWEVWSSKYVLW-QGZVFWFLSA-N 0 0 340.810 4.170 50 0 EIAARN CC(=O)N1CCCN(C(=O)CCCSC(C)(C)C)c2ccccc21 ZINC000095973719 564143489 /nfs/dbraw/zinc/14/34/89/564143489.db2.gz MUBDYSUJWCWAPO-UHFFFAOYSA-N 0 0 348.512 4.088 50 0 EIAARN CC(=O)OCCCc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000096012058 564144718 /nfs/dbraw/zinc/14/47/18/564144718.db2.gz KDZAOEKWXHJUOC-UHFFFAOYSA-N 0 0 325.408 4.051 50 0 EIAARN Cc1ccc([C@H](SCCN2CCOCC2)c2ccccc2)cc1 ZINC000096026421 564144894 /nfs/dbraw/zinc/14/48/94/564144894.db2.gz UICYDURDBQMCHN-HXUWFJFHSA-N 0 0 327.493 4.150 50 0 EIAARN CCSc1ccccc1C(=O)NC[C@@H](OC)c1ccc(C)s1 ZINC000096104705 564145296 /nfs/dbraw/zinc/14/52/96/564145296.db2.gz ZJHRRTAFCLMQGN-CQSZACIVSA-N 0 0 335.494 4.286 50 0 EIAARN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CO)cc(=O)oc2c1C ZINC000096113768 564145418 /nfs/dbraw/zinc/14/54/18/564145418.db2.gz ICJRAGPLIULRJH-UHFFFAOYSA-N 0 0 335.359 4.019 50 0 biogenic EIAARN O=C(N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1ccncc1 ZINC000096116997 564145445 /nfs/dbraw/zinc/14/54/45/564145445.db2.gz VHKCHSCMOGBBIS-INIZCTEOSA-N 0 0 325.799 4.024 50 0 EIAARN O=C(NCc1ccccc1-c1ccsc1)c1cc(-c2ccco2)n[nH]1 ZINC000096122942 564145637 /nfs/dbraw/zinc/14/56/37/564145637.db2.gz FEDJCFSRZHYZHV-UHFFFAOYSA-N 0 0 349.415 4.328 50 0 EIAARN Cc1cc(-c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c(C)o1 ZINC000096124481 564145698 /nfs/dbraw/zinc/14/56/98/564145698.db2.gz PESMRAYJLXPDRR-UHFFFAOYSA-N 0 0 348.449 4.167 50 0 EIAARN CO[C@](C)(CNC(=O)CCc1ccccc1F)c1cccc(Cl)c1 ZINC000096392746 564147057 /nfs/dbraw/zinc/14/70/57/564147057.db2.gz HOVHYWFKXLFGLJ-LJQANCHMSA-N 0 0 349.833 4.090 50 0 EIAARN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C1(C)CCOCC1 ZINC000096403242 564147183 /nfs/dbraw/zinc/14/71/83/564147183.db2.gz PMPYQIWMQVCNIJ-AWEZNQCLSA-N 0 0 344.480 4.112 50 0 EIAARN Cc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)noc2C)o1 ZINC000096414207 564147657 /nfs/dbraw/zinc/14/76/57/564147657.db2.gz RWGCQZODXDJSOX-KRWDZBQOSA-N 0 0 330.428 4.269 50 0 EIAARN CC[C@@H](NC(=O)Nc1cccc(Cl)c1OC)c1nccs1 ZINC000096415834 564147728 /nfs/dbraw/zinc/14/77/28/564147728.db2.gz PZGNQYJDOPGJDI-SNVBAGLBSA-N 0 0 325.821 4.078 50 0 EIAARN Cc1ncsc1-c1nc(CSc2nc3cc(C)ccc3o2)no1 ZINC000096471988 564148355 /nfs/dbraw/zinc/14/83/55/564148355.db2.gz GHVKAAHRLUUJMF-UHFFFAOYSA-N 0 0 344.421 4.243 50 0 EIAARN CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)nn1 ZINC000096472865 564148369 /nfs/dbraw/zinc/14/83/69/564148369.db2.gz IAIVIHICENFDMW-QZTJIDSGSA-N 0 0 347.393 4.049 50 0 EIAARN Cc1ncsc1CNc1cccc(Cn2ccnc2C(C)C)c1 ZINC000096482738 564148611 /nfs/dbraw/zinc/14/86/11/564148611.db2.gz JZDYXZNXQVHEMU-UHFFFAOYSA-N 0 0 326.469 4.432 50 0 EIAARN Cc1ccc(N(C(=O)c2cc(C3CC3)on2)C2CCCCC2)nc1 ZINC000096483141 564148628 /nfs/dbraw/zinc/14/86/28/564148628.db2.gz LQGASNJBDYCVSN-UHFFFAOYSA-N 0 0 325.412 4.235 50 0 EIAARN Clc1ccc(-c2ncc(CN[C@@H]3CCCc4c[nH]nc43)s2)cc1 ZINC000284036983 564148962 /nfs/dbraw/zinc/14/89/62/564148962.db2.gz RMVGYAMMAZAANI-OAHLLOKOSA-N 0 0 344.871 4.354 50 0 EIAARN CO[C@@H](C)c1nc(CSCc2cn3c(cccc3C)n2)cs1 ZINC000097083838 564149334 /nfs/dbraw/zinc/14/93/34/564149334.db2.gz SUHATEZAPMAEFF-LBPRGKRZSA-N 0 0 333.482 4.240 50 0 EIAARN Cc1ccc(CN2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 ZINC000055393818 564149706 /nfs/dbraw/zinc/14/97/06/564149706.db2.gz SANFEODTKSGYGW-UHFFFAOYSA-N 0 0 335.403 4.070 50 0 biogenic EIAARN CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(C)cc1)CO3 ZINC000055393821 564149716 /nfs/dbraw/zinc/14/97/16/564149716.db2.gz XXWDOCCLFYQCLV-UHFFFAOYSA-N 0 0 349.430 4.324 50 0 EIAARN O=C(Cn1ccc2ccccc21)NCc1cccnc1-c1ccsc1 ZINC000225646643 564150119 /nfs/dbraw/zinc/15/01/19/564150119.db2.gz NSRKZWHJTQOHIN-UHFFFAOYSA-N 0 0 347.443 4.081 50 0 EIAARN Cc1cc(C(=O)NCC2(c3ccc([C@H](C)O)s3)CCCC2)c(C)o1 ZINC000225680657 564150282 /nfs/dbraw/zinc/15/02/82/564150282.db2.gz LXIKUWADJNHYOV-ZDUSSCGKSA-N 0 0 347.480 4.253 50 0 EIAARN Cc1ccoc1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000055647112 564150513 /nfs/dbraw/zinc/15/05/13/564150513.db2.gz NGAXOWFLMRKZQX-HNNXBMFYSA-N 0 0 336.391 4.053 50 0 EIAARN Cc1cc(OCc2ccc(C(=O)NCc3ccco3)o2)ccc1Cl ZINC000028225336 564150740 /nfs/dbraw/zinc/15/07/40/564150740.db2.gz WHZDGEQUOCEOHL-UHFFFAOYSA-N 0 0 345.782 4.343 50 0 EIAARN C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)C1 ZINC000028226915 564150756 /nfs/dbraw/zinc/15/07/56/564150756.db2.gz ISWJIORLRCNOSS-OAHLLOKOSA-N 0 0 339.435 4.219 50 0 EIAARN CN(C(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccc(F)cc1 ZINC000055750832 564150785 /nfs/dbraw/zinc/15/07/85/564150785.db2.gz PDDVXFRAPITVNI-UHFFFAOYSA-N 0 0 344.367 4.009 50 0 EIAARN Cc1nn(-c2ccc(NC(=O)Cc3cccs3)cc2)c(C)c1Cl ZINC000028239509 564150797 /nfs/dbraw/zinc/15/07/97/564150797.db2.gz QQRQWQZUJHGVAQ-UHFFFAOYSA-N 0 0 345.855 4.385 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000002619855 564151185 /nfs/dbraw/zinc/15/11/85/564151185.db2.gz DMLQMSDASLTKTH-UHFFFAOYSA-N 0 0 328.170 4.322 50 0 EIAARN COc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000002621688 564151214 /nfs/dbraw/zinc/15/12/14/564151214.db2.gz SEPMVOHUULEZHD-UHFFFAOYSA-N 0 0 345.704 4.500 50 0 EIAARN O=C(CCCSc1nc2ccccc2s1)NCc1ccco1 ZINC000002626236 564151311 /nfs/dbraw/zinc/15/13/11/564151311.db2.gz SDMDXJNBUSHAKB-UHFFFAOYSA-N 0 0 332.450 4.078 50 0 EIAARN Cc1nc2cc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)ccc2[nH]1 ZINC000056309643 564152149 /nfs/dbraw/zinc/15/21/49/564152149.db2.gz PDHQOMJLRIMDAB-RYUDHWBXSA-N 0 0 325.334 4.179 50 0 EIAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccccc1)C1CC1 ZINC000002721133 564152256 /nfs/dbraw/zinc/15/22/56/564152256.db2.gz HYRJZQYXPSCWIR-UHFFFAOYSA-N 0 0 336.460 4.453 50 0 EIAARN CCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(F)cc1 ZINC000002721315 564152275 /nfs/dbraw/zinc/15/22/75/564152275.db2.gz QKWYLFPDKRMEGS-CQSZACIVSA-N 0 0 339.414 4.467 50 0 EIAARN O=C(NN1CCCCC1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000002759986 564152497 /nfs/dbraw/zinc/15/24/97/564152497.db2.gz WFZFRDAPIDGGDH-UHFFFAOYSA-N 0 0 344.842 4.050 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)cc1 ZINC000002761040 564152531 /nfs/dbraw/zinc/15/25/31/564152531.db2.gz QDKNQTOETPZDFU-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN Cc1cc(C(=O)CN2CC=C(c3ccccc3)CC2)c(C)n1C1CC1 ZINC000057327030 564153568 /nfs/dbraw/zinc/15/35/68/564153568.db2.gz NABRJFQGYMBMSC-UHFFFAOYSA-N 0 0 334.463 4.412 50 0 EIAARN Cc1cc(C)n(C(=O)c2sc(Nc3ccc(C)cc3C)nc2C)n1 ZINC000057352041 564153620 /nfs/dbraw/zinc/15/36/20/564153620.db2.gz GLLWUPZBFYFJOI-UHFFFAOYSA-N 0 0 340.452 4.314 50 0 EIAARN Fc1cccc(-c2nnn3c2nc(Cl)c2cc(Cl)ccc23)c1 ZINC000057352053 564153643 /nfs/dbraw/zinc/15/36/43/564153643.db2.gz SBOBTORBWDKOOL-UHFFFAOYSA-N 0 0 333.153 4.390 50 0 EIAARN COc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1Cl ZINC000057406374 564153959 /nfs/dbraw/zinc/15/39/59/564153959.db2.gz CNOJHUIZJLSGMJ-QWHCGFSZSA-N 0 0 344.842 4.127 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000057413549 564154191 /nfs/dbraw/zinc/15/41/91/564154191.db2.gz BQTXGOYQEBHSRM-GFCCVEGCSA-N 0 0 325.799 4.221 50 0 EIAARN CCCOc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000057416259 564154213 /nfs/dbraw/zinc/15/42/13/564154213.db2.gz PVNLZMFDGRWMLS-UHFFFAOYSA-N 0 0 329.465 4.346 50 0 EIAARN C[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1cccs1 ZINC000057422938 564154252 /nfs/dbraw/zinc/15/42/52/564154252.db2.gz FUHNDTDMQKNHFW-LLVKDONJSA-N 0 0 331.828 4.078 50 0 EIAARN CCOCCCNC(=O)c1cc(Nc2ccccc2)nc2ccccc21 ZINC000003027366 564154453 /nfs/dbraw/zinc/15/44/53/564154453.db2.gz WLCQZAJYWXTWMG-UHFFFAOYSA-N 0 0 349.434 4.135 50 0 EIAARN CCOc1ccccc1NC(=S)N(CCOC)[C@H](C)c1ccco1 ZINC000003050477 564154744 /nfs/dbraw/zinc/15/47/44/564154744.db2.gz BOBMKLPDXUJMTJ-CQSZACIVSA-N 0 0 348.468 4.085 50 0 EIAARN Cc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)o1 ZINC000003082866 564155073 /nfs/dbraw/zinc/15/50/73/564155073.db2.gz OIFFHHBJLUAAHZ-RIYZIHGNSA-N 0 0 348.811 4.347 50 0 EIAARN O=C(Nc1nnc(SCc2cccs2)s1)[C@@H]1CC=CCC1 ZINC000057747032 564155599 /nfs/dbraw/zinc/15/55/99/564155599.db2.gz VWOSRAMFQUKREO-SNVBAGLBSA-N 0 0 337.495 4.187 50 0 EIAARN COc1ccc(NC(=O)OC(C)(C)C)c(NCc2cscn2)c1 ZINC000227587633 564155591 /nfs/dbraw/zinc/15/55/91/564155591.db2.gz PZXRCBSEDQYPHX-UHFFFAOYSA-N 0 0 335.429 4.111 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1 ZINC000003174387 564155659 /nfs/dbraw/zinc/15/56/59/564155659.db2.gz DDPIYNZUXGBGNE-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1csc(C)n1)c2=O ZINC000003177497 564155675 /nfs/dbraw/zinc/15/56/75/564155675.db2.gz GYNAIQLZEOCHGE-UHFFFAOYSA-N 0 0 343.404 4.021 50 0 EIAARN Cc1cc(N2CCC(c3ccccc3)CC2)nc(-c2ccncc2)n1 ZINC000057826867 564155997 /nfs/dbraw/zinc/15/59/97/564155997.db2.gz ACLDARSSPRHEPB-UHFFFAOYSA-N 0 0 330.435 4.231 50 0 EIAARN Cc1cc([C@H](C)NC(=O)Nc2cccc(-n3cccn3)c2)c(C)s1 ZINC000057862292 564156287 /nfs/dbraw/zinc/15/62/87/564156287.db2.gz XSMLBEJNPOOKHP-ZDUSSCGKSA-N 0 0 340.452 4.433 50 0 EIAARN CCc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000003231659 564156336 /nfs/dbraw/zinc/15/63/36/564156336.db2.gz POAUEUJCPNEGQH-UHFFFAOYSA-N 0 0 339.435 4.342 50 0 EIAARN COc1ccc(CN2C(=O)C(F)(F)[C@H]2c2cccc(Cl)c2)cc1 ZINC000003231188 564156357 /nfs/dbraw/zinc/15/63/57/564156357.db2.gz AOWKGNYZPOAYFH-OAHLLOKOSA-N 0 0 337.753 4.067 50 0 EIAARN CC[C@H](Sc1ccc(F)c(Cl)c1)C(=O)Nc1cc(C)on1 ZINC000030506361 564156573 /nfs/dbraw/zinc/15/65/73/564156573.db2.gz JHVLERWICCNALK-LBPRGKRZSA-N 0 0 328.796 4.285 50 0 EIAARN Cc1ccc(OCCC(=O)OCc2nc3ccccc3s2)cc1 ZINC000003248881 564156596 /nfs/dbraw/zinc/15/65/96/564156596.db2.gz NTFOPFIOFYTTLZ-UHFFFAOYSA-N 0 0 327.405 4.117 50 0 EIAARN COc1ccc(-c2nnc(SCC(=O)C(C)(C)C)n2C(C)C)cc1 ZINC000003283145 564156935 /nfs/dbraw/zinc/15/69/35/564156935.db2.gz BQIBWGFTWLKPKT-UHFFFAOYSA-N 0 0 347.484 4.242 50 0 EIAARN COc1ccc(NC(=O)[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000057990392 564156981 /nfs/dbraw/zinc/15/69/81/564156981.db2.gz VZULSNSBRFMHGQ-SFHVURJKSA-N 0 0 344.842 4.124 50 0 EIAARN C[C@@H]1C[C@@H](C)CN([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000058012599 564157198 /nfs/dbraw/zinc/15/71/98/564157198.db2.gz DAHVBUUUGZCMAQ-CLCXKQKWSA-N 0 0 348.918 4.418 50 0 EIAARN O=C(COC(=O)c1cccc2ccccc21)NC1CCCCCCC1 ZINC000003307648 564157236 /nfs/dbraw/zinc/15/72/36/564157236.db2.gz HEMJXLRYCVEDLW-UHFFFAOYSA-N 0 0 339.435 4.226 50 0 EIAARN C[C@@H](NC(=O)CSC1CCCC1)c1ccc(Br)cc1 ZINC000003325674 564157312 /nfs/dbraw/zinc/15/73/12/564157312.db2.gz KTVRUDDLPYMGLZ-LLVKDONJSA-N 0 0 342.302 4.302 50 0 EIAARN CCCOc1ccccc1OCC(=O)Nc1c(C)cccc1CC ZINC000003323286 564157323 /nfs/dbraw/zinc/15/73/23/564157323.db2.gz NTNQVRHTMABHHQ-UHFFFAOYSA-N 0 0 327.424 4.364 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccccc1 ZINC000003333953 564157399 /nfs/dbraw/zinc/15/73/99/564157399.db2.gz IAYOTLGMXMTJJO-UHFFFAOYSA-N 0 0 339.826 4.106 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000003343757 564157528 /nfs/dbraw/zinc/15/75/28/564157528.db2.gz YIQPVWOLEOVDJY-UHFFFAOYSA-N 0 0 331.799 4.088 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000003359823 564157648 /nfs/dbraw/zinc/15/76/48/564157648.db2.gz DFIFNYVDELTLFT-FQEVSTJZSA-N 0 0 345.446 4.297 50 0 EIAARN COCCNC(=S)Nc1ccc(N(c2ccccc2)C(C)C)cc1 ZINC000003362596 564157685 /nfs/dbraw/zinc/15/76/85/564157685.db2.gz YPULMSIJAMZHBI-UHFFFAOYSA-N 0 0 343.496 4.166 50 0 EIAARN COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1OC ZINC000003402428 564157953 /nfs/dbraw/zinc/15/79/53/564157953.db2.gz LJFXQLUMOSJLJJ-UHFFFAOYSA-N 0 0 338.407 4.147 50 0 EIAARN CC(=O)Nc1ccccc1O[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000003418538 564158032 /nfs/dbraw/zinc/15/80/32/564158032.db2.gz XMSOBCKEVNYAFR-AWEZNQCLSA-N 0 0 348.402 4.204 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000003417578 564158035 /nfs/dbraw/zinc/15/80/35/564158035.db2.gz IEYAPFNIDXNXSB-LLVKDONJSA-N 0 0 338.234 4.422 50 0 EIAARN COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000003416357 564158046 /nfs/dbraw/zinc/15/80/46/564158046.db2.gz AJOQCCWWYZFMFJ-ZDUSSCGKSA-N 0 0 344.842 4.047 50 0 EIAARN Cc1ccc(COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 ZINC000003433092 564158097 /nfs/dbraw/zinc/15/80/97/564158097.db2.gz UYVPYFZCGZOZQO-UHFFFAOYSA-N 0 0 335.359 4.197 50 0 EIAARN CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003429032 564158124 /nfs/dbraw/zinc/15/81/24/564158124.db2.gz QZVSLQMICJOBNL-AWEZNQCLSA-N 0 0 345.826 4.268 50 0 EIAARN Cc1cc(C)c(OCC(=O)Nc2nc3ccc(F)cc3s2)c(C)c1 ZINC000003438677 564158129 /nfs/dbraw/zinc/15/81/29/564158129.db2.gz NWPYGIMHNLIVST-UHFFFAOYSA-N 0 0 344.411 4.378 50 0 EIAARN C[C@H](NC(=O)COc1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000003437202 564158155 /nfs/dbraw/zinc/15/81/55/564158155.db2.gz KRHYEONMJYRKEK-JTQLQIEISA-N 0 0 342.197 4.389 50 0 EIAARN COc1cc(SC)ccc1C(=O)O[C@H](C)C(=O)c1ccc(C)cc1 ZINC000003513488 564158602 /nfs/dbraw/zinc/15/86/02/564158602.db2.gz REIFEAJMKNUFLF-CYBMUJFWSA-N 0 0 344.432 4.154 50 0 EIAARN Cc1ccc(C(=O)[C@H](Sc2nncn2C)c2ccc(C)cc2)cc1 ZINC000003523752 564158699 /nfs/dbraw/zinc/15/86/99/564158699.db2.gz IFHACACFDFWZTE-GOSISDBHSA-N 0 0 337.448 4.148 50 0 EIAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCC(C)C ZINC000003536751 564158862 /nfs/dbraw/zinc/15/88/62/564158862.db2.gz ZZWWCAFFGURMGD-UHFFFAOYSA-N 0 0 340.448 4.142 50 0 EIAARN CCOc1ccccc1OCC(=O)Nc1nc2c(cccc2C)s1 ZINC000003558966 564158958 /nfs/dbraw/zinc/15/89/58/564158958.db2.gz CHHOUJRZRMSDCJ-UHFFFAOYSA-N 0 0 342.420 4.021 50 0 EIAARN Cc1cccc(NC(=S)N(CCc2ccncc2)C(C)C)c1C ZINC000003588988 564159107 /nfs/dbraw/zinc/15/91/07/564159107.db2.gz FNXFDCBKYAVFMF-UHFFFAOYSA-N 0 0 327.497 4.348 50 0 EIAARN CCCCNC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000003604080 564159183 /nfs/dbraw/zinc/15/91/83/564159183.db2.gz FQNQVUAOLWGCDJ-UHFFFAOYSA-N 0 0 341.238 4.145 50 0 EIAARN O=C(Cc1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 ZINC000003608565 564159184 /nfs/dbraw/zinc/15/91/84/564159184.db2.gz IIFJYQSRHFESQN-QGZVFWFLSA-N 0 0 344.252 4.185 50 0 EIAARN CCCCOC(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000058481605 564159251 /nfs/dbraw/zinc/15/92/51/564159251.db2.gz CPNWQHIMYBDREQ-UHFFFAOYSA-N 0 0 342.420 4.325 50 0 EIAARN Cc1cnccc1CN(C)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000670450476 564159352 /nfs/dbraw/zinc/15/93/52/564159352.db2.gz ITCXDJOJVPWHPS-UHFFFAOYSA-N 0 0 325.456 4.029 50 0 EIAARN O[C@@H](c1nccn1Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000133689660 564159663 /nfs/dbraw/zinc/15/96/63/564159663.db2.gz DUPHJYGXSGCAOA-MRXNPFEDSA-N 0 0 332.325 4.032 50 0 EIAARN O=C(COc1ccc(F)cc1F)Nc1nc(-c2ccccc2)cs1 ZINC000031712720 564159722 /nfs/dbraw/zinc/15/97/22/564159722.db2.gz JSKIRARHFKBPAH-UHFFFAOYSA-N 0 0 346.358 4.106 50 0 EIAARN CC(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004033487 564160165 /nfs/dbraw/zinc/16/01/65/564160165.db2.gz UIXMEILPPRHPHN-GOSISDBHSA-N 0 0 347.462 4.208 50 0 EIAARN Cc1ccc([C@]2(CC(=O)NCC(C)C)CCO[C@@H](C(C)C)C2)cc1 ZINC000004087946 564160455 /nfs/dbraw/zinc/16/04/55/564160455.db2.gz QIAVYIRNOGKASV-TZIWHRDSSA-N 0 0 331.500 4.230 50 0 biogenic EIAARN C[C@@H]1CC[C@@H](OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)C[C@@H]1C ZINC000004099878 564160536 /nfs/dbraw/zinc/16/05/36/564160536.db2.gz HSYKUCUHSYQGQW-HRDYMLBCSA-N 0 0 335.288 4.421 50 0 EIAARN O=C(c1c(F)cccc1Cl)N1CCN=C1SCc1ccccc1 ZINC000004119817 564160679 /nfs/dbraw/zinc/16/06/79/564160679.db2.gz BNHZMBUTNJAWPT-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN Cc1cccc(CSC2=NCCN2C(=O)c2ccc(F)c(F)c2)c1 ZINC000004120210 564160716 /nfs/dbraw/zinc/16/07/16/564160716.db2.gz OYAXPEQEBSZQEJ-UHFFFAOYSA-N 0 0 346.402 4.018 50 0 EIAARN Cc1ccccc1C(=O)N1CCN=C1SCc1cccc(Cl)c1 ZINC000004120600 564160759 /nfs/dbraw/zinc/16/07/59/564160759.db2.gz FPJWCBKYGHUPJD-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN Cc1ccc(N2C(=O)S[C@@H](Nc3cc(C)ccc3C)C2=O)cc1 ZINC000004151297 564160957 /nfs/dbraw/zinc/16/09/57/564160957.db2.gz RSWIVPJRAKQCCF-MRXNPFEDSA-N 0 0 326.421 4.250 50 0 EIAARN Cc1ccccc1-c1nnc(NC(=O)CSc2ccccc2)s1 ZINC000004174411 564160991 /nfs/dbraw/zinc/16/09/91/564160991.db2.gz IOKJNSBPMBMUJW-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(C)s1 ZINC000004174595 564161005 /nfs/dbraw/zinc/16/10/05/564161005.db2.gz MXGCDYOMGMEECE-LLVKDONJSA-N 0 0 327.862 4.009 50 0 EIAARN c1coc(CN=Nc2nnc3c4ccccc4c4ccccc4c3n2)c1 ZINC000004186926 564161090 /nfs/dbraw/zinc/16/10/90/564161090.db2.gz KJACPKAZFHHJRK-UHFFFAOYSA-N 0 0 339.358 4.370 50 0 EIAARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@H]1c1ccc(C)cc1 ZINC000004205902 564161121 /nfs/dbraw/zinc/16/11/21/564161121.db2.gz NAFRQUSHHAHPHK-XMSQKQJNSA-N 0 0 348.446 4.264 50 0 EIAARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)s2)c(C)n1C1CC1 ZINC000004242881 564161257 /nfs/dbraw/zinc/16/12/57/564161257.db2.gz KBPJEOZPUUFXEY-UHFFFAOYSA-N 0 0 337.828 4.194 50 0 EIAARN CC(C)OCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000008025699 564162229 /nfs/dbraw/zinc/16/22/29/564162229.db2.gz CHYKCFHBVPKKEK-UHFFFAOYSA-N 0 0 338.451 4.464 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000263500698 564162259 /nfs/dbraw/zinc/16/22/59/564162259.db2.gz KTDGCVJCJJVZAF-WQAKAFBOSA-N 0 0 346.229 4.350 50 0 EIAARN FC(F)(F)c1nc2ccccc2c(Sc2nnc(C3CC3)o2)n1 ZINC000008036376 564162288 /nfs/dbraw/zinc/16/22/88/564162288.db2.gz YHEUIBRXOPGAKY-UHFFFAOYSA-N 0 0 338.314 4.060 50 0 EIAARN O=C(CCc1ccco1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008039775 564162356 /nfs/dbraw/zinc/16/23/56/564162356.db2.gz FPTFMDGRPMTOMU-CQSZACIVSA-N 0 0 340.448 4.228 50 0 EIAARN COC(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000008060631 564162434 /nfs/dbraw/zinc/16/24/34/564162434.db2.gz ZQPLPQYTQFBGSJ-UHFFFAOYSA-N 0 0 342.153 4.171 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)s1 ZINC000066445435 564162495 /nfs/dbraw/zinc/16/24/95/564162495.db2.gz FMWLSUULJZSFAB-AWEZNQCLSA-N 0 0 327.409 4.037 50 0 EIAARN COc1ccc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1F ZINC000008074879 564162527 /nfs/dbraw/zinc/16/25/27/564162527.db2.gz QODHBEUNXAEYII-UHFFFAOYSA-N 0 0 340.398 4.205 50 0 EIAARN COc1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000008075323 564162564 /nfs/dbraw/zinc/16/25/64/564162564.db2.gz KXKMKZAWXHJUJB-UHFFFAOYSA-N 0 0 332.403 4.051 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1F ZINC000008077761 564162590 /nfs/dbraw/zinc/16/25/90/564162590.db2.gz PXPUCQNHVICJRG-UHFFFAOYSA-N 0 0 338.338 4.232 50 0 EIAARN COC(=O)Nc1cc(NC(=O)c2c(F)cccc2Cl)ccc1F ZINC000066489674 564162653 /nfs/dbraw/zinc/16/26/53/564162653.db2.gz WRMPTOKOBFGYGW-UHFFFAOYSA-N 0 0 340.713 4.049 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000008146641 564163185 /nfs/dbraw/zinc/16/31/85/564163185.db2.gz FBNVSSPPMHNDHT-UHFFFAOYSA-N 0 0 327.428 4.178 50 0 EIAARN COc1ccc(CNc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000008148621 564163198 /nfs/dbraw/zinc/16/31/98/564163198.db2.gz VASYPHMWQOKRKS-UHFFFAOYSA-N 0 0 325.437 4.191 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000263536953 564163316 /nfs/dbraw/zinc/16/33/16/564163316.db2.gz ZVSPQHSVBITLPQ-VQISRLSMSA-N 0 0 345.336 4.062 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCC1=CCCCC1 ZINC000008230389 564163648 /nfs/dbraw/zinc/16/36/48/564163648.db2.gz HTDHZGOWTXZVGI-UHFFFAOYSA-N 0 0 343.858 4.454 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)CCC2 ZINC000008240988 564163790 /nfs/dbraw/zinc/16/37/90/564163790.db2.gz URBFUHPJLQRANL-UHFFFAOYSA-N 0 0 331.419 4.230 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NC1CCCCCC1 ZINC000008270988 564163916 /nfs/dbraw/zinc/16/39/16/564163916.db2.gz HGTKYBMBWJELLZ-UHFFFAOYSA-N 0 0 339.483 4.261 50 0 EIAARN C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc2c(c1)CCCC2 ZINC000008268743 564163923 /nfs/dbraw/zinc/16/39/23/564163923.db2.gz AATMNMLVJLCKKE-AWEZNQCLSA-N 0 0 334.419 4.127 50 0 EIAARN COc1cc(OC)c(CN[C@@H]2CCSc3ccccc32)c(OC)c1 ZINC000008328523 564164482 /nfs/dbraw/zinc/16/44/82/564164482.db2.gz YZGOAMDBQLAIMD-MRXNPFEDSA-N 0 0 345.464 4.039 50 0 EIAARN CC1=C(c2ccccc2)[C@H]1C(=O)NC1CCN(c2cccc(C)c2)CC1 ZINC000670470533 564164799 /nfs/dbraw/zinc/16/47/99/564164799.db2.gz KJFWLGMVHRSVMK-QFIPXVFZSA-N 0 0 346.474 4.184 50 0 EIAARN Cc1ccc(Nc2n[nH]nc2C(=O)Nc2c(C)cccc2C)cc1C ZINC000038487756 564164939 /nfs/dbraw/zinc/16/49/39/564164939.db2.gz GZNVWAGIFPAEMD-UHFFFAOYSA-N 0 0 335.411 4.034 50 0 EIAARN C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1F ZINC000008403267 564165125 /nfs/dbraw/zinc/16/51/25/564165125.db2.gz RTJPWYPIOSXDHU-LBPRGKRZSA-N 0 0 328.362 4.256 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008407035 564165165 /nfs/dbraw/zinc/16/51/65/564165165.db2.gz SJDXXARNGLYFQM-MRXNPFEDSA-N 0 0 343.810 4.089 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1sccc1C1CC1 ZINC000067143091 564165206 /nfs/dbraw/zinc/16/52/06/564165206.db2.gz NOZLEUWRXDIBAM-UHFFFAOYSA-N 0 0 340.448 4.114 50 0 EIAARN COc1ccc(CNCc2csc(-c3ccsc3)n2)c(OC)c1 ZINC000067214946 564165346 /nfs/dbraw/zinc/16/53/46/564165346.db2.gz SIZMZGHQOUHBRD-UHFFFAOYSA-N 0 0 346.477 4.179 50 0 EIAARN CCCn1c(=O)c2ccccc2nc1SCc1cc(F)ccc1F ZINC000067258675 564165413 /nfs/dbraw/zinc/16/54/13/564165413.db2.gz HLFCBJKTRKTVRU-UHFFFAOYSA-N 0 0 346.402 4.377 50 0 EIAARN C[C@H]1CCCN([C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000008556824 564165707 /nfs/dbraw/zinc/16/57/07/564165707.db2.gz SACHTOPZGFUHHW-KBXCAEBGSA-N 0 0 334.891 4.172 50 0 EIAARN Cc1ccc(CCNC(=O)c2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000008611711 564166088 /nfs/dbraw/zinc/16/60/88/564166088.db2.gz ABEANGJIZQXIFL-UHFFFAOYSA-N 0 0 347.462 4.044 50 0 EIAARN CCc1ncc(CN(C)C(=O)Nc2cc(Cl)ccc2F)s1 ZINC000067537618 564166116 /nfs/dbraw/zinc/16/61/16/564166116.db2.gz DBQZAIDNMHUEKP-UHFFFAOYSA-N 0 0 327.812 4.162 50 0 EIAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccccc1 ZINC000008654810 564166209 /nfs/dbraw/zinc/16/62/09/564166209.db2.gz YSFYAZLRBBJYQC-LJQANCHMSA-N 0 0 342.870 4.297 50 0 EIAARN CCC(=O)N1c2nc(C(C)C)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000008654703 564166234 /nfs/dbraw/zinc/16/62/34/564166234.db2.gz KJRXHFYMBRZIAG-CVEARBPZSA-N 0 0 344.503 4.376 50 0 biogenic EIAARN COC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2C)c1 ZINC000008685350 564166333 /nfs/dbraw/zinc/16/63/33/564166333.db2.gz KPNQPWXTWORWDM-UHFFFAOYSA-N 0 0 334.828 4.244 50 0 EIAARN CSc1nnc(COc2c(Cl)c(Cl)ccc2C(C)=O)s1 ZINC000067783711 564166666 /nfs/dbraw/zinc/16/66/66/564166666.db2.gz KSKYPWXPRVYTSJ-UHFFFAOYSA-N 0 0 349.264 4.348 50 0 EIAARN Cc1cc(CC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)no1 ZINC000172054208 564166897 /nfs/dbraw/zinc/16/68/97/564166897.db2.gz WSZSQARTVHUMLT-QGZVFWFLSA-N 0 0 346.839 4.146 50 0 EIAARN COc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1O ZINC000008748425 564167244 /nfs/dbraw/zinc/16/72/44/564167244.db2.gz DKBANDFCIIRGJE-UHFFFAOYSA-N 0 0 327.311 4.052 50 0 EIAARN COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000008752836 564167292 /nfs/dbraw/zinc/16/72/92/564167292.db2.gz CHGMHJXHCWOEEE-GDBMZVCRSA-N 0 0 344.480 4.229 50 0 EIAARN Cc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)oc2c1 ZINC000008757285 564167350 /nfs/dbraw/zinc/16/73/50/564167350.db2.gz NSKSPVQWWCUXAU-INIZCTEOSA-N 0 0 349.430 4.220 50 0 EIAARN C[C@@H](CCc1ccco1)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000008776531 564167367 /nfs/dbraw/zinc/16/73/67/564167367.db2.gz ORVIPBROGJRAOD-LBPRGKRZSA-N 0 0 346.477 4.145 50 0 EIAARN Cc1noc(C)c1CC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000008776657 564167392 /nfs/dbraw/zinc/16/73/92/564167392.db2.gz PBECZUYUYPMGRQ-ZETCQYMHSA-N 0 0 345.201 4.157 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)CSc3ccccc3)o2)cs1 ZINC000008772286 564167397 /nfs/dbraw/zinc/16/73/97/564167397.db2.gz UJWIOQCTLOVPHL-UHFFFAOYSA-N 0 0 344.461 4.120 50 0 EIAARN C[C@@H](CNC(=O)Nc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000008778874 564167420 /nfs/dbraw/zinc/16/74/20/564167420.db2.gz CIVBMHLLFIXDPA-LBPRGKRZSA-N 0 0 344.365 4.357 50 0 EIAARN Cc1nnc(CSc2nc3ccccc3c(Nc3ccccc3)n2)o1 ZINC000008779024 564167428 /nfs/dbraw/zinc/16/74/28/564167428.db2.gz INQOOPQGOAYIMV-UHFFFAOYSA-N 0 0 349.419 4.357 50 0 EIAARN C[C@H](NC(=O)CCCSc1ccccc1)c1nc2ccccc2[nH]1 ZINC000008778601 564167435 /nfs/dbraw/zinc/16/74/35/564167435.db2.gz GHFKKXHORIDHPO-AWEZNQCLSA-N 0 0 339.464 4.313 50 0 EIAARN COCCN(C(=S)Nc1ccccc1C)[C@H](C)c1cccs1 ZINC000008829952 564167450 /nfs/dbraw/zinc/16/74/50/564167450.db2.gz WQTVOFZBOVDVHH-CQSZACIVSA-N 0 0 334.510 4.463 50 0 EIAARN CCc1nc(CN(C)C(=O)Cc2c[nH]c3cc(Cl)ccc23)cs1 ZINC000067990253 564167451 /nfs/dbraw/zinc/16/74/51/564167451.db2.gz PMEIXFWFBZFMTJ-UHFFFAOYSA-N 0 0 347.871 4.041 50 0 EIAARN COc1ccc(-c2nc(C)c(-c3ccc(SC)nn3)s2)cc1 ZINC000008875814 564167521 /nfs/dbraw/zinc/16/75/21/564167521.db2.gz QWDBQSILFPBOBA-UHFFFAOYSA-N 0 0 329.450 4.306 50 0 EIAARN Cc1[nH]c2ccc(C(=O)OCc3nc4ccccc4nc3C)cc2c1C ZINC000039569077 564167592 /nfs/dbraw/zinc/16/75/92/564167592.db2.gz QDTVCUGEEXJWSO-UHFFFAOYSA-N 0 0 345.402 4.393 50 0 EIAARN Cc1ccc(NC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000068652774 564167639 /nfs/dbraw/zinc/16/76/39/564167639.db2.gz LHIYPAQOKOOHHY-HNNXBMFYSA-N 0 0 337.423 4.005 50 0 EIAARN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000068733313 564167665 /nfs/dbraw/zinc/16/76/65/564167665.db2.gz OFXZDEDSIPHVPG-KDOFPFPSSA-N 0 0 343.448 4.082 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C(C)C ZINC000039994057 564167777 /nfs/dbraw/zinc/16/77/77/564167777.db2.gz ALANYDZRJAHAIY-UHFFFAOYSA-N 0 0 327.472 4.461 50 0 EIAARN CCN(C(=O)CNc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000040005736 564167824 /nfs/dbraw/zinc/16/78/24/564167824.db2.gz QXVSFBFDYMAUAS-UHFFFAOYSA-N 0 0 336.407 4.466 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)CCC2CCCC2)c(OC)c1 ZINC000040009662 564167830 /nfs/dbraw/zinc/16/78/30/564167830.db2.gz IMCPBVPYRYVSLI-SFHVURJKSA-N 0 0 331.456 4.338 50 0 EIAARN CSc1nc(C(C)C)nc(C)c1C(=O)Oc1ccc(C(C)=O)cc1 ZINC000040058316 564167851 /nfs/dbraw/zinc/16/78/51/564167851.db2.gz FGNJFOIBHDLCJT-UHFFFAOYSA-N 0 0 344.436 4.052 50 0 EIAARN CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000008917291 564167900 /nfs/dbraw/zinc/16/79/00/564167900.db2.gz VQAVEUVEVJNSEJ-MRXNPFEDSA-N 0 0 339.778 4.012 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccccc2Cl)c2c1[C@@H](C)CC2=O ZINC000008923208 564167992 /nfs/dbraw/zinc/16/79/92/564167992.db2.gz MJPFFDDSMXSJTC-LBPRGKRZSA-N 0 0 343.810 4.356 50 0 EIAARN O=C(Cc1noc2ccccc12)Nc1cccnc1Oc1ccccc1 ZINC000040090377 564167993 /nfs/dbraw/zinc/16/79/93/564167993.db2.gz CNSLUQVBWYLOGN-UHFFFAOYSA-N 0 0 345.358 4.196 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)Nc2ccc(Br)cc2F)o1 ZINC000040097441 564168018 /nfs/dbraw/zinc/16/80/18/564168018.db2.gz REFNBSJVMINCPN-VIFPVBQESA-N 0 0 341.180 4.372 50 0 EIAARN COc1ccc(CN(C)C(=O)c2[nH]c3ccccc3c2Cl)cc1 ZINC000040144341 564168330 /nfs/dbraw/zinc/16/83/30/564168330.db2.gz ZVPCHXLKYQNKGV-UHFFFAOYSA-N 0 0 328.799 4.102 50 0 EIAARN CC(C)(C)c1nc(CN2CCC(CCc3ccccc3)CC2)no1 ZINC000040153426 564168405 /nfs/dbraw/zinc/16/84/05/564168405.db2.gz ZPELHJGDYGIXJJ-UHFFFAOYSA-N 0 0 327.472 4.212 50 0 EIAARN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccc(Cl)nc1 ZINC000040157508 564168453 /nfs/dbraw/zinc/16/84/53/564168453.db2.gz BOODRNIHSODACD-UHFFFAOYSA-N 0 0 338.754 4.124 50 0 EIAARN Cc1[nH]c2ccccc2c1-c1nc(NC[C@@H]2CCCO2)sc1C ZINC000008987580 564168468 /nfs/dbraw/zinc/16/84/68/564168468.db2.gz NSXSJABWRXHPSQ-ZDUSSCGKSA-N 0 0 327.453 4.499 50 0 EIAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Br)o1 ZINC000040162142 564168491 /nfs/dbraw/zinc/16/84/91/564168491.db2.gz IWXGHYZVZKAYDO-UHFFFAOYSA-N 0 0 348.649 4.419 50 0 EIAARN CC(C)Oc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccnc2)c1 ZINC000040286790 564168658 /nfs/dbraw/zinc/16/86/58/564168658.db2.gz IOIBRTHHVWWXGI-QGZVFWFLSA-N 0 0 348.406 4.178 50 0 EIAARN O=C(Nc1cccnc1)c1cc2sccc2n1Cc1ccccc1 ZINC000040283074 564168662 /nfs/dbraw/zinc/16/86/62/564168662.db2.gz CQJUFIRCRNOUKW-UHFFFAOYSA-N 0 0 333.416 4.398 50 0 EIAARN CC(C)c1nc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2[nH]1 ZINC000040288513 564168696 /nfs/dbraw/zinc/16/86/96/564168696.db2.gz JLCSSXPIANEXIF-UHFFFAOYSA-N 0 0 332.407 4.349 50 0 EIAARN CCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000009065571 564168757 /nfs/dbraw/zinc/16/87/57/564168757.db2.gz DYKPMOJOSTZWHK-UHFFFAOYSA-N 0 0 331.228 4.441 50 0 EIAARN O=C(CSc1ccccc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000069324148 564168835 /nfs/dbraw/zinc/16/88/35/564168835.db2.gz PSTHUCYZGIGPQP-FQEVSTJZSA-N 0 0 334.444 4.080 50 0 EIAARN O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(Cl)ccc1F ZINC000173167073 564168854 /nfs/dbraw/zinc/16/88/54/564168854.db2.gz MTNOLEFGRXDSAU-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nc3ccccc32)on1 ZINC000069351224 564168926 /nfs/dbraw/zinc/16/89/26/564168926.db2.gz WBPGYOIKDDQZQY-IBGZPJMESA-N 0 0 347.418 4.386 50 0 EIAARN CC(=O)Nc1cc(NC(=O)N(CC2CC2)C2CCCCC2)ccc1F ZINC000069388602 564169121 /nfs/dbraw/zinc/16/91/21/564169121.db2.gz GSUARKPRFISVRC-UHFFFAOYSA-N 0 0 347.434 4.361 50 0 EIAARN Cc1noc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000069419826 564169355 /nfs/dbraw/zinc/16/93/55/564169355.db2.gz AJYVXQGNTHQWPN-LBPRGKRZSA-N 0 0 338.367 4.053 50 0 EIAARN Cc1noc(Cl)c1CCC(=O)Nc1c(C)cccc1OC(F)F ZINC000069419187 564169356 /nfs/dbraw/zinc/16/93/56/564169356.db2.gz LYXDSCMGAVRRAH-UHFFFAOYSA-N 0 0 344.745 4.118 50 0 EIAARN CCN(C(=O)CCc1c(C)noc1Cl)[C@@H](C)c1ccc(F)cc1 ZINC000069421283 564169398 /nfs/dbraw/zinc/16/93/98/564169398.db2.gz BNRXVYCHYDPXOS-LBPRGKRZSA-N 0 0 338.810 4.318 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1F ZINC000040478279 564169767 /nfs/dbraw/zinc/16/97/67/564169767.db2.gz KFDOEYJBZJZCFB-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CCCc1cc(=O)n2c3ccccc3n(Cc3cc(C)ccc3C)c2n1 ZINC000040484804 564169889 /nfs/dbraw/zinc/16/98/89/564169889.db2.gz DUGYKOAIELARMB-UHFFFAOYSA-N 0 0 345.446 4.267 50 0 EIAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1cccnc1 ZINC000040497853 564169993 /nfs/dbraw/zinc/16/99/93/564169993.db2.gz KSFUPZCDFSIQEI-NSHDSACASA-N 0 0 338.238 4.291 50 0 EIAARN CC(C)c1noc([C@@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)n1 ZINC000040511403 564170263 /nfs/dbraw/zinc/17/02/63/564170263.db2.gz KJECDRAJDDZQIL-LLVKDONJSA-N 0 0 348.834 4.146 50 0 EIAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccco3)ccc1O2 ZINC000009134990 564170394 /nfs/dbraw/zinc/17/03/94/564170394.db2.gz VWAVMYFSCNRVQH-UHFFFAOYSA-N 0 0 334.331 4.198 50 0 EIAARN Cc1ccc(-c2nc3nc(C)cc(Nc4cccc(C)c4)n3n2)cc1 ZINC000009185305 564170961 /nfs/dbraw/zinc/17/09/61/564170961.db2.gz QCZFWGCUHGITCJ-UHFFFAOYSA-N 0 0 329.407 4.460 50 0 EIAARN Cc1cc(Nc2ccc(C)c(C)c2)n2nc(-c3ccccc3)nc2n1 ZINC000009185299 564170965 /nfs/dbraw/zinc/17/09/65/564170965.db2.gz DTBJDSLMLVGHAL-UHFFFAOYSA-N 0 0 329.407 4.460 50 0 EIAARN Cc1ccc(-c2noc(CCCC(=O)Nc3ccccc3C)n2)cc1 ZINC000009196455 564171124 /nfs/dbraw/zinc/17/11/24/564171124.db2.gz GDEVXOBANHASIK-UHFFFAOYSA-N 0 0 335.407 4.315 50 0 EIAARN CCOc1ccc(Nc2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)cc1 ZINC000009224732 564171485 /nfs/dbraw/zinc/17/14/85/564171485.db2.gz MFLDZCUONBSPGZ-UHFFFAOYSA-N 0 0 335.403 4.017 50 0 EIAARN CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000040714425 564171750 /nfs/dbraw/zinc/17/17/50/564171750.db2.gz RZJJDQNYCRCVCK-GMZAYQHBSA-N 0 0 339.439 4.003 50 0 EIAARN O=C(NCc1ccncc1)c1cc2sccc2n1Cc1ccccc1 ZINC000040787155 564171997 /nfs/dbraw/zinc/17/19/97/564171997.db2.gz ODJVLJJNIFGUPS-UHFFFAOYSA-N 0 0 347.443 4.076 50 0 EIAARN Cc1cc(C)c2ccc(NC(=O)c3c(F)cccc3Cl)nc2n1 ZINC000040818263 564172218 /nfs/dbraw/zinc/17/22/18/564172218.db2.gz ZLSBNVXEKGRCTA-UHFFFAOYSA-N 0 0 329.762 4.291 50 0 EIAARN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)C2CC2)cc1 ZINC000009303236 564172431 /nfs/dbraw/zinc/17/24/31/564172431.db2.gz BSPXHCDMUKSSRX-IBGZPJMESA-N 0 0 347.418 4.141 50 0 EIAARN Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000009320911 564172640 /nfs/dbraw/zinc/17/26/40/564172640.db2.gz YUPODKMEASNHEN-KRWDZBQOSA-N 0 0 347.418 4.182 50 0 EIAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 ZINC000009366645 564172985 /nfs/dbraw/zinc/17/29/85/564172985.db2.gz YAVXQUYTJFZWJI-UHFFFAOYSA-N 0 0 348.805 4.213 50 0 EIAARN O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1cccs1 ZINC000009366925 564172986 /nfs/dbraw/zinc/17/29/86/564172986.db2.gz RBWAYZPNYWASSL-CQSZACIVSA-N 0 0 343.477 4.080 50 0 EIAARN Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Br)cc1 ZINC000009368047 564173074 /nfs/dbraw/zinc/17/30/74/564173074.db2.gz XEEBNSOONMXFAX-GFCCVEGCSA-N 0 0 333.229 4.197 50 0 EIAARN CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1C ZINC000009374747 564173120 /nfs/dbraw/zinc/17/31/20/564173120.db2.gz GQFPTEKNIFCCLN-UHFFFAOYSA-N 0 0 334.419 4.006 50 0 EIAARN COc1ccc(NC(=O)c2csc(-c3cccs3)n2)c(OC)c1 ZINC000009384892 564173291 /nfs/dbraw/zinc/17/32/91/564173291.db2.gz QPNPRFVGAFLLTK-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN Fc1ccc(F)c(C2N=NC(=S)N2c2cccc3ncccc32)c1 ZINC000009420638 564173635 /nfs/dbraw/zinc/17/36/35/564173635.db2.gz YCPSZIVBQGZIJQ-UHFFFAOYSA-N 0 0 340.358 4.049 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)oc2=O)cc1 ZINC000009453178 564173700 /nfs/dbraw/zinc/17/37/00/564173700.db2.gz ZLLCUXLLMYUTMX-UHFFFAOYSA-N 0 0 339.313 4.208 50 0 EIAARN C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccc(F)cc1 ZINC000009453938 564173714 /nfs/dbraw/zinc/17/37/14/564173714.db2.gz FDVDAJNEMJJENW-CYBMUJFWSA-N 0 0 333.370 4.128 50 0 EIAARN CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1C ZINC000009461241 564173749 /nfs/dbraw/zinc/17/37/49/564173749.db2.gz JTCONNVQQIRHAP-UHFFFAOYSA-N 0 0 348.446 4.279 50 0 EIAARN C[C@H](c1cccs1)N(C)CC(=O)Nc1ccc(F)cc1Cl ZINC000009494270 564173859 /nfs/dbraw/zinc/17/38/59/564173859.db2.gz XRIWATPFUSSVAR-SNVBAGLBSA-N 0 0 326.824 4.172 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000009483468 564173893 /nfs/dbraw/zinc/17/38/93/564173893.db2.gz MHZYZWDNQXPCRN-UHFFFAOYSA-N 0 0 333.218 4.447 50 0 EIAARN Cn1ccnc1[C@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000009512960 564173946 /nfs/dbraw/zinc/17/39/46/564173946.db2.gz XHAKFTAQRRHHPN-HXUWFJFHSA-N 0 0 341.414 4.093 50 0 EIAARN COc1ccccc1NC(=O)N1CCn2c(C)ccc2[C@H]1C(C)C ZINC000009528322 564174025 /nfs/dbraw/zinc/17/40/25/564174025.db2.gz RKLVMSAXBKVBMV-GOSISDBHSA-N 0 0 327.428 4.050 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)C1(c2ccc(F)cc2)CCCC1 ZINC000009591779 564174260 /nfs/dbraw/zinc/17/42/60/564174260.db2.gz ZCQUBTZBJZAZQB-UHFFFAOYSA-N 0 0 327.355 4.005 50 0 EIAARN CCOc1ccccc1-c1noc(CN2CCCc3cc(C)ccc32)n1 ZINC000009682168 564174420 /nfs/dbraw/zinc/17/44/20/564174420.db2.gz TYWCLTVTOPOURG-UHFFFAOYSA-N 0 0 349.434 4.397 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)o1 ZINC000009723089 564174522 /nfs/dbraw/zinc/17/45/22/564174522.db2.gz LVYNLZAROOZSGF-UHFFFAOYSA-N 0 0 344.411 4.207 50 0 EIAARN Cc1ccc(NC(=O)NCc2cccn2Cc2ccccc2F)cc1 ZINC000009723728 564174538 /nfs/dbraw/zinc/17/45/38/564174538.db2.gz GFSJELHTFJFDEN-UHFFFAOYSA-N 0 0 337.398 4.306 50 0 EIAARN CCCC[NH2+]Cc1cn(-c2ccc(C(=O)[O-])s2)c2ccccc12 ZINC000009741023 564174600 /nfs/dbraw/zinc/17/46/00/564174600.db2.gz FHHQBDSNEHWOMX-UHFFFAOYSA-N 0 0 328.437 4.280 50 0 EIAARN O=C(CCc1cscn1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000174654622 564174715 /nfs/dbraw/zinc/17/47/15/564174715.db2.gz ZMGCAHDXZQZFPN-HXUWFJFHSA-N 0 0 348.471 4.402 50 0 EIAARN O=C(CCc1ccccn1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000174648560 564174732 /nfs/dbraw/zinc/17/47/32/564174732.db2.gz UQKYSFMVAKVGBF-JOCHJYFZSA-N 0 0 342.442 4.340 50 0 EIAARN CCOc1ccc(Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 ZINC000009885195 564174754 /nfs/dbraw/zinc/17/47/54/564174754.db2.gz XXMPRNDUVIWDLX-UHFFFAOYSA-N 0 0 341.798 4.028 50 0 EIAARN O=C(CCn1ccc2ccccc21)N1CCc2[nH]c3ccccc3c2C1 ZINC000009902281 564174782 /nfs/dbraw/zinc/17/47/82/564174782.db2.gz IWAXCVGQKGSQEF-UHFFFAOYSA-N 0 0 343.430 4.098 50 0 biogenic EIAARN Clc1ccc(-c2cnc(CSc3nncn3C3CC3)o2)cc1 ZINC000009983129 564174975 /nfs/dbraw/zinc/17/49/75/564174975.db2.gz YRRDLLXBNYGOOY-UHFFFAOYSA-N 0 0 332.816 4.214 50 0 EIAARN CC(C)c1ccc([C@H](C)NC(=O)CN2CCc3sccc3C2)cc1 ZINC000010093597 564175036 /nfs/dbraw/zinc/17/50/36/564175036.db2.gz BNTCYQYNWSIWKC-HNNXBMFYSA-N 0 0 342.508 4.107 50 0 EIAARN COc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000010226002 564175170 /nfs/dbraw/zinc/17/51/70/564175170.db2.gz KLIUFEYFILSISA-FQEVSTJZSA-N 0 0 338.451 4.088 50 0 EIAARN C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010276707 564175188 /nfs/dbraw/zinc/17/51/88/564175188.db2.gz QOKSLVHCYWZVQH-CQSZACIVSA-N 0 0 349.471 4.304 50 0 EIAARN Fc1ccccc1Nc1nnc(SCCc2ccccn2)s1 ZINC000010428222 564175669 /nfs/dbraw/zinc/17/56/69/564175669.db2.gz GHFYDBVJJXMLGG-UHFFFAOYSA-N 0 0 332.429 4.151 50 0 EIAARN O=C(CSc1ccc2ccccc2c1)NC(=O)C1CCCCC1 ZINC000010439934 564175779 /nfs/dbraw/zinc/17/57/79/564175779.db2.gz PCYNCCAMDPYDTC-UHFFFAOYSA-N 0 0 327.449 4.155 50 0 EIAARN CCN(CC)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000071841849 564175836 /nfs/dbraw/zinc/17/58/36/564175836.db2.gz MRPCXRPYRZSTKE-UHFFFAOYSA-N 0 0 333.819 4.188 50 0 EIAARN Cc1cccc2c(CC(=O)NCC3(c4ccccc4F)CC3)c[nH]c21 ZINC000078116652 564176927 /nfs/dbraw/zinc/17/69/27/564176927.db2.gz JFVIGQSJLKCTNV-UHFFFAOYSA-N 0 0 336.410 4.006 50 0 EIAARN Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000078579259 564176968 /nfs/dbraw/zinc/17/69/68/564176968.db2.gz GYVQNKWLFPABFJ-VAWYXSNFSA-N 0 0 347.418 4.025 50 0 EIAARN CCn1c2ccccc2c2cc(NC(=O)c3cnc(C)cn3)ccc21 ZINC000014907944 568418104 /nfs/dbraw/zinc/41/81/04/568418104.db2.gz ZPIIDVOABQICGS-UHFFFAOYSA-N 0 0 330.391 4.165 50 0 EIAARN Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)cc1F ZINC000021600230 568418290 /nfs/dbraw/zinc/41/82/90/568418290.db2.gz LRLYOJZODFNNIN-UHFFFAOYSA-N 0 0 343.789 4.285 50 0 EIAARN CCc1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 ZINC000012941342 568420283 /nfs/dbraw/zinc/42/02/83/568420283.db2.gz PSBHNJASUHRYDB-UHFFFAOYSA-N 0 0 342.826 4.282 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2csc(C(C)C)c2)cc1OC ZINC000017068630 568423344 /nfs/dbraw/zinc/42/33/44/568423344.db2.gz CFOHHPCLNMFUCJ-GFCCVEGCSA-N 0 0 333.453 4.380 50 0 EIAARN CC(C)c1[nH]ccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000287134485 1019599778 /nfs/dbraw/zinc/59/97/78/1019599778.db2.gz QJYYZEMUEVLKQM-UHFFFAOYSA-N 0 0 342.414 4.012 50 0 EIAARN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ncncc1Cl ZINC000177688291 1021569500 /nfs/dbraw/zinc/56/95/00/1021569500.db2.gz MOISAITZAVFBCS-OAHLLOKOSA-N 0 0 347.846 4.046 50 0 EIAARN O=C(c1cc(F)ccc1F)N1CC[C@H](CCOc2ccc(F)cc2)C1 ZINC000581788469 1021874712 /nfs/dbraw/zinc/87/47/12/1021874712.db2.gz LDKFUFFCFXHIGO-CYBMUJFWSA-N 0 0 349.352 4.035 50 0 EIAARN O=C(c1ccco1)N1CCCCC[C@H]1c1nnc(-c2ccccc2)o1 ZINC000257190536 1022749824 /nfs/dbraw/zinc/74/98/24/1022749824.db2.gz OULSHPLULRJECW-HNNXBMFYSA-N 0 0 337.379 4.087 50 0 EIAARN O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1c(F)cccc1F ZINC000097986686 1023175586 /nfs/dbraw/zinc/17/55/86/1023175586.db2.gz VELAORSAGFLRJK-TWGQIWQCSA-N 0 0 325.261 4.218 50 0 EIAARN C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)c1cccs1 ZINC000675029253 1023341489 /nfs/dbraw/zinc/34/14/89/1023341489.db2.gz IRPRHOJSHURPKB-GFCCVEGCSA-N 0 0 345.855 4.137 50 0 EIAARN O=C(C[C@H]1CCOc2ccccc21)Nc1ccccc1N1CCCC1 ZINC000117577647 1023403005 /nfs/dbraw/zinc/40/30/05/1023403005.db2.gz JXEJJCIBAWQMRX-MRXNPFEDSA-N 0 0 336.435 4.182 50 0 EIAARN O=C(Cc1cccc(Cl)c1Cl)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000193956159 1023577120 /nfs/dbraw/zinc/57/71/20/1023577120.db2.gz MAEMDFHVSZJUQP-CYBMUJFWSA-N 0 0 338.238 4.013 50 0 EIAARN CC(C)c1nnc(CN2CCCC[C@H]2c2nc3ccccc3o2)o1 ZINC000328644443 1023724627 /nfs/dbraw/zinc/72/46/27/1023724627.db2.gz GPKBXSVVLAGFDL-AWEZNQCLSA-N 0 0 326.400 4.061 50 0 EIAARN COc1ccc(NC(=O)N2CC=C(c3ccc(OC)cc3)CC2)cc1 ZINC000047544056 1023949812 /nfs/dbraw/zinc/94/98/12/1023949812.db2.gz RPBUKGKJRMVRGJ-UHFFFAOYSA-N 0 0 338.407 4.025 50 0 EIAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1 ZINC000049005547 1024792641 /nfs/dbraw/zinc/79/26/41/1024792641.db2.gz IITCVEIBAHFTTQ-UHFFFAOYSA-N 0 0 348.450 4.472 50 0 EIAARN Cc1nnc([C@H]2Cc3ccccc3CN2C/C=C\c2ccc(F)cc2)o1 ZINC000255413392 1024832712 /nfs/dbraw/zinc/83/27/12/1024832712.db2.gz NZAAHWBYAOWZOL-BBIZLLLXSA-N 0 0 349.409 4.330 50 0 EIAARN CC(=NNC(=O)c1cc(C)oc1C)c1ccc(Cl)cc1Cl ZINC000254836796 1024995846 /nfs/dbraw/zinc/99/58/46/1024995846.db2.gz NYPSSDUQAQJVFK-UHFFFAOYSA-N 0 0 325.195 4.357 50 0 EIAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C)cc2)n1 ZINC000004823886 1025511805 /nfs/dbraw/zinc/51/18/05/1025511805.db2.gz NOPDLSDYTCYBKX-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN O=C(C[C@@H](Cn1cccc1)c1ccccc1)N1CCc2ccccc2C1 ZINC000888105172 1026155795 /nfs/dbraw/zinc/15/57/95/1026155795.db2.gz YWDYCARDGFZTAV-QFIPXVFZSA-N 0 0 344.458 4.247 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1snnc1-c1ccccc1 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CCCCn1nc(C(=O)Nc2cccc(C)c2C)c2ccccc2c1=O ZINC000003313785 1043214972 /nfs/dbraw/zinc/21/49/72/1043214972.db2.gz HBTXTFMHTNONKT-UHFFFAOYSA-N 0 0 349.434 4.066 50 0 EIAARN CC(C)[C@H](O)c1ccc2c(c1)CN(Cc1c(F)cccc1F)CCO2 ZINC000011783002 1043225025 /nfs/dbraw/zinc/22/50/25/1043225025.db2.gz ALSBFLQVGIJGNP-FQEVSTJZSA-N 0 0 347.405 4.049 50 0 EIAARN Cc1nnc(COc2ccccc2OCc2cccc(F)c2)s1 ZINC000358656652 1043414785 /nfs/dbraw/zinc/41/47/85/1043414785.db2.gz QHSDJNNIQBLETE-UHFFFAOYSA-N 0 0 330.384 4.144 50 0 EIAARN Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2nccs2)cc1C ZINC000011935367 1043755069 /nfs/dbraw/zinc/75/50/69/1043755069.db2.gz HPHQZPUKILICHS-QGZVFWFLSA-N 0 0 338.480 4.487 50 0 EIAARN Cc1ccccc1N(C(=O)[C@@H]1CCOC1)c1nc2ccccc2s1 ZINC000069315565 1043860054 /nfs/dbraw/zinc/86/00/54/1043860054.db2.gz MCIBSOKJWLWPDO-CQSZACIVSA-N 0 0 338.432 4.306 50 0 EIAARN Cc1ccc([C@H](C)C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1 ZINC000821319268 1043931513 /nfs/dbraw/zinc/93/15/13/1043931513.db2.gz QPDGQXGANIQIEE-INIZCTEOSA-N 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Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)[nH]n2)cc1 ZINC000029980318 1046000009 /nfs/dbraw/zinc/00/00/09/1046000009.db2.gz LNTIHSULZPHMNA-CQSZACIVSA-N 0 0 337.398 4.357 50 0 EIAARN Cc1oc(-c2ccccc2Cl)nc1CN(C)[C@@H](C)c1ccncn1 ZINC000200588240 1046866285 /nfs/dbraw/zinc/86/62/85/1046866285.db2.gz ZTUSKSROIMVRRL-LBPRGKRZSA-N 0 0 342.830 4.286 50 0 EIAARN CC(C)c1cccc2c1CCN([C@H](C)c1nc(-c3cccnc3)no1)C2 ZINC000191892570 1049029203 /nfs/dbraw/zinc/02/92/03/1049029203.db2.gz FCJSBTNZEZMQFN-OAHLLOKOSA-N 0 0 348.450 4.374 50 0 EIAARN C[C@@](O)(CCc1ccccc1)c1nc(Cc2cccc(Cl)c2)no1 ZINC000585081644 1049384576 /nfs/dbraw/zinc/38/45/76/1049384576.db2.gz WZSPDHPVOMUXRX-LJQANCHMSA-N 0 0 342.826 4.154 50 0 EIAARN O=C1COc2c(NC3CC(c4ccccc4)C3)cc(Cl)cc2N1 ZINC000585082935 1049392584 /nfs/dbraw/zinc/39/25/84/1049392584.db2.gz WQBXAPXHJOSMPP-UHFFFAOYSA-N 0 0 328.799 4.029 50 0 EIAARN CC1(C)CN(Cc2csc([C@H]3CCCO3)n2)Cc2ccccc2O1 ZINC000585083862 1049406399 /nfs/dbraw/zinc/40/63/99/1049406399.db2.gz DTJFRXMMMGHEMT-QGZVFWFLSA-N 0 0 344.480 4.168 50 0 EIAARN CC[C@@H](C)c1cc(-c2nc(C3(c4cccc(OC)c4)CC3)no2)on1 ZINC000585084349 1049412415 /nfs/dbraw/zinc/41/24/15/1049412415.db2.gz NYOISUPLVYISQZ-GFCCVEGCSA-N 0 0 339.395 4.327 50 0 EIAARN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)[C@@H](C)C(C)(C)C ZINC000585087500 1049474192 /nfs/dbraw/zinc/47/41/92/1049474192.db2.gz YIWNSULFNVRYOB-RDTXWAMCSA-N 0 0 326.440 4.092 50 0 EIAARN COc1cc(SC)ccc1NC(=O)c1ccc(Br)o1 ZINC000192698356 1049503530 /nfs/dbraw/zinc/50/35/30/1049503530.db2.gz GYOKADVWKOTZRK-UHFFFAOYSA-N 0 0 342.214 4.025 50 0 EIAARN COC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000585125944 1049594309 /nfs/dbraw/zinc/59/43/09/1049594309.db2.gz JGLMKMFSWSZIIQ-DJJJIMSYSA-N 0 0 347.842 4.033 50 0 EIAARN Cc1ccncc1C(=O)Nc1c(F)cccc1NC(=O)OC(C)(C)C ZINC000952880414 1049678626 /nfs/dbraw/zinc/67/86/26/1049678626.db2.gz AWWKWGMBYLERHA-UHFFFAOYSA-N 0 0 345.374 4.128 50 0 EIAARN Clc1cccc(-c2nnc3n2CCCC[C@H]3C2CCOCC2)c1 ZINC000952884123 1049682002 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CC(C)Oc1cccc(CC(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000184676972 1052147577 /nfs/dbraw/zinc/14/75/77/1052147577.db2.gz RIXPHAUFJMOZIH-UHFFFAOYSA-N 0 0 335.447 4.090 50 0 EIAARN Cc1nc([C@@H](N[C@H](C)[C@@H]2C[C@H]2C2CC2)c2ccc(Cl)cc2)no1 ZINC000527688053 1053470705 /nfs/dbraw/zinc/47/07/05/1053470705.db2.gz MZDJWFBRNZDUQC-GEMNNEOKSA-N 0 0 331.847 4.145 50 0 EIAARN CCc1noc(C)c1-c1noc(-c2ccc(O[C@@H]3CC3(F)F)cc2)n1 ZINC000528183041 1053585202 /nfs/dbraw/zinc/58/52/02/1053585202.db2.gz LPEDXPPCGWGBKZ-CYBMUJFWSA-N 0 0 347.321 4.049 50 0 EIAARN CNC(=O)[C@@H]1CCCc2sc(/C=C\c3cccc(Cl)c3)nc21 ZINC000578771630 1059068828 /nfs/dbraw/zinc/06/88/28/1059068828.db2.gz WWQLJDFPTUISDJ-LJTDUEICSA-N 0 0 332.856 4.133 50 0 EIAARN Cc1cc(C(=O)Nc2ccc3nnc(C(C)C)n3c2)c(C)n1C(C)C ZINC000189089857 1059801324 /nfs/dbraw/zinc/80/13/24/1059801324.db2.gz AICCVYSKKQHBLJ-UHFFFAOYSA-N 0 0 339.443 4.104 50 0 EIAARN O=C(Nc1cccc(F)c1)N1CC[C@H](CCOc2ccccc2F)C1 ZINC000581788784 1059990853 /nfs/dbraw/zinc/99/08/53/1059990853.db2.gz 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Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCCC2)cc1 ZINC000009265606 201772989 /nfs/dbraw/zinc/77/29/89/201772989.db2.gz ATWOGFCPHOGISU-UHFFFAOYSA-N 0 0 348.402 4.230 50 0 EIAARN Clc1ccc(-n2nnnc2COc2ccc3ccccc3c2)cc1 ZINC000009303558 201773671 /nfs/dbraw/zinc/77/36/71/201773671.db2.gz SWLVXAPNHWVIKA-UHFFFAOYSA-N 0 0 336.782 4.048 50 0 EIAARN Fc1ccccc1OCc1nnc(-c2ccc(Br)cc2)o1 ZINC000009366124 201775868 /nfs/dbraw/zinc/77/58/68/201775868.db2.gz VJLMGCZHWGABEI-UHFFFAOYSA-N 0 0 349.159 4.217 50 0 EIAARN Cc1ccc2n1CCN(C(=O)Nc1ccc(F)cc1F)[C@H]2C(C)C ZINC000009528373 201782006 /nfs/dbraw/zinc/78/20/06/201782006.db2.gz PQLVNZGBCMYWTA-KRWDZBQOSA-N 0 0 333.382 4.320 50 0 EIAARN CNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(C)c(C)c1 ZINC000009607265 201784454 /nfs/dbraw/zinc/78/44/54/201784454.db2.gz MZTDIDLAKYZSAL-UHFFFAOYSA-N 0 0 337.379 4.096 50 0 EIAARN COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)c1ccco1 ZINC000009781655 201787664 /nfs/dbraw/zinc/78/76/64/201787664.db2.gz KRFFIZCZRCRQOP-SFHVURJKSA-N 0 0 346.386 4.280 50 0 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EIAARN O=C(c1cc(-c2ccccc2)on1)N1CCC(Cc2ccccc2)CC1 ZINC000027580793 202157379 /nfs/dbraw/zinc/15/73/79/202157379.db2.gz KFVOSLXDSAEJQC-UHFFFAOYSA-N 0 0 346.430 4.437 50 0 EIAARN CCOc1ncccc1NC(=O)c1sc(-c2ccccc2)nc1C ZINC000027580792 202157591 /nfs/dbraw/zinc/15/75/91/202157591.db2.gz ZYFRVGJMFHFADR-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccc(F)c(F)c2)no1 ZINC000027663784 202159318 /nfs/dbraw/zinc/15/93/18/202159318.db2.gz ALDNNAYXRGCEHT-UHFFFAOYSA-N 0 0 348.736 4.454 50 0 EIAARN Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000027989139 202162785 /nfs/dbraw/zinc/16/27/85/202162785.db2.gz OKMVPIGKDJFEQE-IBGZPJMESA-N 0 0 342.870 4.215 50 0 EIAARN O=C(Cc1ccc(F)cc1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000039992640 202166414 /nfs/dbraw/zinc/16/64/14/202166414.db2.gz DFKHSFLJIJCEGK-UHFFFAOYSA-N 0 0 335.781 4.352 50 0 EIAARN CC(C)N(C(=O)CNc1ccccc1OC(F)F)c1ccccc1 ZINC000039987723 202167051 /nfs/dbraw/zinc/16/70/51/202167051.db2.gz SGFMOFFCSOWIAU-UHFFFAOYSA-N 0 0 334.366 4.142 50 0 EIAARN COc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)C)c(OC)c1 ZINC000040023993 202167153 /nfs/dbraw/zinc/16/71/53/202167153.db2.gz XEKHYFDAFIUEHQ-MRXNPFEDSA-N 0 0 334.441 4.284 50 0 EIAARN C[C@H]1CCCCN1C(=O)/C=C/c1ccc(OCc2ccncc2)cc1 ZINC000040069546 202167203 /nfs/dbraw/zinc/16/72/03/202167203.db2.gz JLDFWNGLLDDYTG-JEJOPICUSA-N 0 0 336.435 4.075 50 0 EIAARN CCN(C(=O)c1cc(-c2ccccc2OC)on1)c1ccc(F)cc1 ZINC000040087719 202167944 /nfs/dbraw/zinc/16/79/44/202167944.db2.gz NRKPCOBORGLODS-UHFFFAOYSA-N 0 0 340.354 4.156 50 0 EIAARN CCOc1ccccc1NC(=O)NCc1nc2ccccc2s1 ZINC000040098732 202169025 /nfs/dbraw/zinc/16/90/25/202169025.db2.gz JAIZJOGMCGXKIP-UHFFFAOYSA-N 0 0 327.409 4.017 50 0 EIAARN O=C(NCc1ccccc1Cl)Nc1ccc(OC(F)F)cc1 ZINC000040103188 202169553 /nfs/dbraw/zinc/16/95/53/202169553.db2.gz BPHHHPNDJQGMCU-UHFFFAOYSA-N 0 0 326.730 4.263 50 0 EIAARN Fc1ccccc1OCCSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000028807133 202176447 /nfs/dbraw/zinc/17/64/47/202176447.db2.gz UWHBAZVUTKSTNF-UHFFFAOYSA-N 0 0 349.818 4.435 50 0 EIAARN COc1ccc(C)cc1NC(=O)[C@H](C)Nc1cccc2c1CCCC2 ZINC000028795096 202176458 /nfs/dbraw/zinc/17/64/58/202176458.db2.gz VQCIHEBAOBBBLM-HNNXBMFYSA-N 0 0 338.451 4.322 50 0 EIAARN O=C1CSC(=O)N1c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000028405747 202170688 /nfs/dbraw/zinc/17/06/88/202170688.db2.gz ZOJYBJVGMKNZHX-UHFFFAOYSA-N 0 0 336.372 4.208 50 0 EIAARN C[C@@H](C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1)n1cccn1 ZINC000028504816 202171984 /nfs/dbraw/zinc/17/19/84/202171984.db2.gz SWLWUTPAISRCOT-MGPUTAFESA-N 0 0 345.402 4.096 50 0 EIAARN COc1ccc(C2=CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000040119691 202173185 /nfs/dbraw/zinc/17/31/85/202173185.db2.gz CJHTUSBGYMUBQD-UHFFFAOYSA-N 0 0 345.801 4.417 50 0 EIAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC(C)C)cc1 ZINC000028645947 202173437 /nfs/dbraw/zinc/17/34/37/202173437.db2.gz PROSVUKNUFBQOR-UHFFFAOYSA-N 0 0 333.435 4.045 50 0 EIAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1cccnc1 ZINC000029299849 202184142 /nfs/dbraw/zinc/18/41/42/202184142.db2.gz 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O=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000000453000 209609656 /nfs/dbraw/zinc/60/96/56/209609656.db2.gz UOEUJWXTSFPLRZ-UHFFFAOYSA-N 0 0 341.370 4.154 50 0 EIAARN O=C(Nc1cccc(Oc2cnccn2)c1)c1cccc(Cl)c1 ZINC000032029434 202219867 /nfs/dbraw/zinc/21/98/67/202219867.db2.gz UWLOSUULHWBMGV-UHFFFAOYSA-N 0 0 325.755 4.175 50 0 EIAARN Cc1cc(F)ccc1NC(=O)c1ccccc1OCc1ccncc1 ZINC000032064198 202220184 /nfs/dbraw/zinc/22/01/84/202220184.db2.gz RYRJEVIWSGQGNG-UHFFFAOYSA-N 0 0 336.366 4.360 50 0 EIAARN O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(F)cc1F ZINC000032652344 202229852 /nfs/dbraw/zinc/22/98/52/202229852.db2.gz RHFKYNTWAQIWET-UHFFFAOYSA-N 0 0 344.386 4.193 50 0 EIAARN Fc1cccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)c1 ZINC000032500099 202224999 /nfs/dbraw/zinc/22/49/99/202224999.db2.gz GUVRWCZIZOFZIO-UHFFFAOYSA-N 0 0 339.761 4.352 50 0 EIAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)s1 ZINC000032549567 202227401 /nfs/dbraw/zinc/22/74/01/202227401.db2.gz WPKFGPYZPRJUJG-CQSZACIVSA-N 0 0 335.494 4.046 50 0 EIAARN COc1ccccc1CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000032544599 202227630 /nfs/dbraw/zinc/22/76/30/202227630.db2.gz RBUUCZSIOMCTTL-UHFFFAOYSA-N 0 0 333.313 4.269 50 0 EIAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOc2ccccc21 ZINC000032624477 202228745 /nfs/dbraw/zinc/22/87/45/202228745.db2.gz IAWZPPVXDHRORH-UHFFFAOYSA-N 0 0 340.766 4.034 50 0 EIAARN O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(Cl)cc1 ZINC000032027853 202220641 /nfs/dbraw/zinc/22/06/41/202220641.db2.gz SBUYUYVKAHKKLQ-UHFFFAOYSA-N 0 0 325.755 4.175 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)C1(C)C ZINC000032282650 202222229 /nfs/dbraw/zinc/22/22/29/202222229.db2.gz COQILXKXMUTOMO-ZSZQSSIHSA-N 0 0 343.467 4.264 50 0 EIAARN Cc1ccc(-c2nc(CSc3nnc4ccccn43)cs2)o1 ZINC000032324238 202223484 /nfs/dbraw/zinc/22/34/84/202223484.db2.gz WQIJFQAZJVUOCF-UHFFFAOYSA-N 0 0 328.422 4.047 50 0 EIAARN O=C(Cc1cn2ccccc2n1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000032380067 202223714 /nfs/dbraw/zinc/22/37/14/202223714.db2.gz ZLYHSARCFXQNAV-JOCHJYFZSA-N 0 0 347.462 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Cc1c(Cl)cccc1NC(=O)Nc1cc(N2CCCCC2)ncn1 ZINC000075166293 202378464 /nfs/dbraw/zinc/37/84/64/202378464.db2.gz XFMAOVYZOIUIGK-UHFFFAOYSA-N 0 0 345.834 4.073 50 0 EIAARN S=C(NCCc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000000397685 209568887 /nfs/dbraw/zinc/56/88/87/209568887.db2.gz GUUOYRKTCSPGKE-UHFFFAOYSA-N 0 0 346.499 4.483 50 0 EIAARN Cc1csc(C(=O)NCC[C@H](O)c2cccc3ccccc32)c1 ZINC000077116380 202384525 /nfs/dbraw/zinc/38/45/25/202384525.db2.gz HVAOYJOILDPAOM-KRWDZBQOSA-N 0 0 325.433 4.063 50 0 EIAARN Cc1cc(CS[C@H](C)C(=O)Nc2ccc(F)cc2Cl)on1 ZINC000078555619 202397219 /nfs/dbraw/zinc/39/72/19/202397219.db2.gz XXXQERLMKMOEQV-SECBINFHSA-N 0 0 328.796 4.036 50 0 EIAARN CC(=O)Nc1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)ccc1F ZINC000076511077 202388448 /nfs/dbraw/zinc/38/84/48/202388448.db2.gz CJOQTKVSSPICHR-QGZVFWFLSA-N 0 0 344.386 4.135 50 0 EIAARN Clc1ccc(COc2ccc(-c3ccnc4ncnn43)cc2)cc1 ZINC000039404037 202412855 /nfs/dbraw/zinc/41/28/55/202412855.db2.gz JVVYHDHGMWABCW-UHFFFAOYSA-N 0 0 336.782 4.024 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(C)sc2C)cc1 ZINC000040072748 202420201 /nfs/dbraw/zinc/42/02/01/202420201.db2.gz WGBKFGDLVTWXCE-GFCCVEGCSA-N 0 0 346.452 4.424 50 0 EIAARN Cc1ccc(C)c(NC(=O)[C@H](C)Sc2cnc3ccccc3n2)c1 ZINC000040066727 202421115 /nfs/dbraw/zinc/42/11/15/202421115.db2.gz CHDPLEXHZFDARZ-AWEZNQCLSA-N 0 0 337.448 4.366 50 0 EIAARN COc1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1OC ZINC000040097643 202422781 /nfs/dbraw/zinc/42/27/81/202422781.db2.gz NDYVYBWSBMCDHM-UHFFFAOYSA-N 0 0 334.803 4.021 50 0 EIAARN COc1cc(C)c([C@H](C)NC(=O)Nc2cccc(C)c2)cc1OC ZINC000040095252 202422889 /nfs/dbraw/zinc/42/28/89/202422889.db2.gz DLAMEXCGNZNFSU-AWEZNQCLSA-N 0 0 328.412 4.203 50 0 EIAARN O=C(CCOc1cccc(Cl)c1Cl)NCc1cccs1 ZINC000040140581 202426141 /nfs/dbraw/zinc/42/61/41/202426141.db2.gz PBYWRPBZAFWOCS-UHFFFAOYSA-N 0 0 330.236 4.140 50 0 EIAARN CC(=O)c1csc(NC(=O)c2sc(-c3ccsc3)nc2C)n1 ZINC000040468744 202441832 /nfs/dbraw/zinc/44/18/32/202441832.db2.gz DLINSCHSFFTSMZ-UHFFFAOYSA-N 0 0 349.462 4.091 50 0 EIAARN CC(C)Oc1cccc([C@@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1 ZINC000040536025 202450663 /nfs/dbraw/zinc/45/06/63/202450663.db2.gz KHYKHFFUNHSGQR-NAZJXLNTSA-N 0 0 343.467 4.046 50 0 EIAARN CC(C)COc1ccc(NC(=O)c2cc(C3CC3)on2)cc1Cl ZINC000030512127 212699505 /nfs/dbraw/zinc/69/95/05/212699505.db2.gz RQMONYUSQHWOFD-UHFFFAOYSA-N 0 0 334.803 4.493 50 0 EIAARN C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000030117320 212690235 /nfs/dbraw/zinc/69/02/35/212690235.db2.gz PVDJSQYYDZYRPV-NSHDSACASA-N 0 0 325.305 4.264 50 0 EIAARN Cc1cc2nc(C(C)C)cc(N[C@@H](CCO)c3ccc(C)cc3)n2n1 ZINC000072433599 216227786 /nfs/dbraw/zinc/22/77/86/216227786.db2.gz QDYWEYDIXVXKAS-KRWDZBQOSA-N 0 0 338.455 4.005 50 0 EIAARN Cc1cc2nc(C(C)C)cc(N[C@H](CCO)c3ccc(C)cc3)n2n1 ZINC000072433598 216228280 /nfs/dbraw/zinc/22/82/80/216228280.db2.gz QDYWEYDIXVXKAS-QGZVFWFLSA-N 0 0 338.455 4.005 50 0 EIAARN O=c1[nH]c(C(Cl)=Cc2cccc(O)c2)nc2ccc(Cl)cc12 ZINC000007331911 201056511 /nfs/dbraw/zinc/05/65/11/201056511.db2.gz VOZFDVMHXTTYBL-QPEQYQDCSA-N 0 0 333.174 4.019 50 0 EIAARN CCCc1noc([C@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000029832868 201065647 /nfs/dbraw/zinc/06/56/47/201065647.db2.gz RTTVCZHJMCFJPQ-UONOGXRCSA-N 0 0 340.427 4.104 50 0 EIAARN O=C(C=Cc1ccccc1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000051042305 201125364 /nfs/dbraw/zinc/12/53/64/201125364.db2.gz RFLWFSGVPPZBEE-YFWYWMRJSA-N 0 0 333.391 4.066 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccncc2)cc1Cl ZINC000042797838 202502107 /nfs/dbraw/zinc/50/21/07/202502107.db2.gz RWGXJXRIHAFWII-KRWDZBQOSA-N 0 0 344.842 4.040 50 0 EIAARN CCOc1ccc2oc(C)c(C(=O)Nc3ccccc3OC)c2c1 ZINC000011866435 201362617 /nfs/dbraw/zinc/36/26/17/201362617.db2.gz OTRKQPNJOAIAHW-UHFFFAOYSA-N 0 0 325.364 4.401 50 0 EIAARN C[C@@H](Sc1ncnc2ccccc21)C(=O)c1ccc(F)c(F)c1 ZINC000008189468 201363515 /nfs/dbraw/zinc/36/35/15/201363515.db2.gz CLRBXSVBFOHTDS-SNVBAGLBSA-N 0 0 330.359 4.272 50 0 EIAARN CCOc1ccc2c(c1)oc(C)c(Oc1ccc(OC)cc1)c2=O ZINC000000490847 201357220 /nfs/dbraw/zinc/35/72/20/201357220.db2.gz JONASZRDMCTJAC-UHFFFAOYSA-N 0 0 326.348 4.301 50 0 biogenic EIAARN Cc1ccc2cccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)C3)C4(C)C)c2n1 ZINC000000468902 201357264 /nfs/dbraw/zinc/35/72/64/201357264.db2.gz NCGLJRQRWRTXEP-LEWJYISDSA-N 0 0 336.435 4.267 50 0 biogenic EIAARN COc1ccccc1-c1cc(=O)c2cc(Br)ccc2o1 ZINC000000522055 201357457 /nfs/dbraw/zinc/35/74/57/201357457.db2.gz GLMVAEWDKUOAKQ-UHFFFAOYSA-N 0 0 331.165 4.231 50 0 biogenic EIAARN CCOC(=O)c1c2cc(O)c(Br)cc2oc1C(C)(C)C ZINC000000307915 201357516 /nfs/dbraw/zinc/35/75/16/201357516.db2.gz SZRBQVQUIKVHQV-UHFFFAOYSA-N 0 0 341.201 4.375 50 0 EIAARN CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc21 ZINC000000120991 201358208 /nfs/dbraw/zinc/35/82/08/201358208.db2.gz WIWTURDIRZFYBL-UHFFFAOYSA-N 0 0 330.361 4.199 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)C1(c2ccc(Cl)cc2)CC1 ZINC000003349282 201360079 /nfs/dbraw/zinc/36/00/79/201360079.db2.gz PYTVFPWJFXPXHT-UHFFFAOYSA-N 0 0 338.838 4.212 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)N(C(C)C)C1CC1 ZINC000096291423 201376040 /nfs/dbraw/zinc/37/60/40/201376040.db2.gz BJHJIQOYBAHUMU-QXMHVHEDSA-N 0 0 341.430 4.041 50 0 EIAARN c1nn(-c2ccccc2)c2ncnc(N[C@@H]3CCCc4ccccc43)c12 ZINC000096346858 201376566 /nfs/dbraw/zinc/37/65/66/201376566.db2.gz FMILEFMXRBJALL-LJQANCHMSA-N 0 0 341.418 4.305 50 0 EIAARN Cc1nc(CSc2n[nH]c(C=Cc3ccc(F)cc3)n2)oc1C ZINC000096310762 201376619 /nfs/dbraw/zinc/37/66/19/201376619.db2.gz YDDUBUZYNYNBIP-YVMONPNESA-N 0 0 330.388 4.011 50 0 EIAARN CC1(C)CN(C(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000096401575 201376687 /nfs/dbraw/zinc/37/66/87/201376687.db2.gz OTIDZULAHNCQNH-XQRVVYSFSA-N 0 0 347.764 4.009 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)Nc2ccccc2-n2cccn2)o1 ZINC000096401748 201377287 /nfs/dbraw/zinc/37/72/87/201377287.db2.gz YZVBERHWTYXGFI-JAWCLOOUSA-N 0 0 333.391 4.241 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000043279869 202511098 /nfs/dbraw/zinc/51/10/98/202511098.db2.gz INUHICAROCUTLR-SFHVURJKSA-N 0 0 340.423 4.381 50 0 EIAARN Cc1cnc(-c2cccc(NC(=O)N3CCSC(C)(C)C3)c2)o1 ZINC000083567661 202518838 /nfs/dbraw/zinc/51/88/38/202518838.db2.gz ATXADJVRIAUHQR-UHFFFAOYSA-N 0 0 331.441 4.009 50 0 EIAARN COc1cccc([C@@H](C)CC(=O)N[C@@H](C)c2csc(C3CC3)n2)c1 ZINC000084544974 202554616 /nfs/dbraw/zinc/55/46/16/202554616.db2.gz GEZPZOAXORQDCI-STQMWFEESA-N 0 0 344.480 4.400 50 0 EIAARN C[C@H](NC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc(Cl)s1 ZINC000044970064 202541340 /nfs/dbraw/zinc/54/13/40/202541340.db2.gz DFQGXXDSNHSDMG-WCQYABFASA-N 0 0 335.860 4.404 50 0 EIAARN CC1(C)N=C(c2cccc(Cl)c2)C(=S)N1C(=O)c1ccccc1 ZINC000045932639 202560316 /nfs/dbraw/zinc/56/03/16/202560316.db2.gz IBUTWSBGGVJAHU-UHFFFAOYSA-N 0 0 342.851 4.349 50 0 EIAARN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000046018155 202562258 /nfs/dbraw/zinc/56/22/58/202562258.db2.gz VNABEMDAXKVVAG-IBGZPJMESA-N 0 0 343.492 4.446 50 0 EIAARN COc1cc2c(cc1C(=O)Nc1cc(Cl)ccc1C)OCCCO2 ZINC000046077918 202563768 /nfs/dbraw/zinc/56/37/68/202563768.db2.gz JXDMITVGTSQXBG-UHFFFAOYSA-N 0 0 347.798 4.071 50 0 EIAARN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 ZINC000024584759 212426820 /nfs/dbraw/zinc/42/68/20/212426820.db2.gz WTUMSBIGZZWXJT-CYBMUJFWSA-N 0 0 343.477 4.347 50 0 EIAARN CCCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(C)no2)s1 ZINC000048261298 202596896 /nfs/dbraw/zinc/59/68/96/202596896.db2.gz MQYXFPNQSVQTLW-CYBMUJFWSA-N 0 0 333.457 4.068 50 0 EIAARN Fc1ccccc1CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000048313369 202599666 /nfs/dbraw/zinc/59/96/66/202599666.db2.gz JOUWWMYLFNSCRS-UHFFFAOYSA-N 0 0 329.400 4.228 50 0 EIAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)c(Br)c1 ZINC000048304243 202600141 /nfs/dbraw/zinc/60/01/41/202600141.db2.gz SCUJRTSSZBLQSU-NSHDSACASA-N 0 0 334.217 4.035 50 0 EIAARN COc1cc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)ccc1OCc1ccccc1 ZINC000048354815 202603686 /nfs/dbraw/zinc/60/36/86/202603686.db2.gz XDHQWOVMKLHIBX-MPGHIAIKSA-N 0 0 339.435 4.107 50 0 EIAARN O=C(NCC[C@@H](O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000085436546 202618117 /nfs/dbraw/zinc/61/81/17/202618117.db2.gz QKGBZTQEQXWPGP-OAHLLOKOSA-N 0 0 339.222 4.239 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(F)c3C)n[nH]2)cc1 ZINC000051315537 202639122 /nfs/dbraw/zinc/63/91/22/202639122.db2.gz XIRBGDLIADEEKF-UHFFFAOYSA-N 0 0 339.370 4.175 50 0 EIAARN COc1cc(NC(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1 ZINC000051354207 202639492 /nfs/dbraw/zinc/63/94/92/202639492.db2.gz SEQQKCGWJOMDKS-UHFFFAOYSA-N 0 0 340.301 4.367 50 0 EIAARN COCCn1ccc2cc(C(=O)Nc3cccc4c3ccn4C)ccc21 ZINC000085875532 202629981 /nfs/dbraw/zinc/62/99/81/202629981.db2.gz BMGVKMXQPYYCOZ-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 biogenic EIAARN Cc1ccc(C[C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)cc1 ZINC000050768779 202634951 /nfs/dbraw/zinc/63/49/51/202634951.db2.gz PLWNLIBFKZXQQF-SFHVURJKSA-N 0 0 345.446 4.033 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000054030074 202664224 /nfs/dbraw/zinc/66/42/24/202664224.db2.gz KQPKMJBIEMPFGH-UHFFFAOYSA-N 0 0 342.414 4.069 50 0 EIAARN CC(C)NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000055086955 202679616 /nfs/dbraw/zinc/67/96/16/202679616.db2.gz PBHBGMZKCGAUGD-UHFFFAOYSA-N 0 0 345.830 4.147 50 0 EIAARN Cc1ccc(N[C@@](C)(C(=O)NCc2ccccn2)c2ccccc2)cc1 ZINC000055226210 202685492 /nfs/dbraw/zinc/68/54/92/202685492.db2.gz ZRQPYCYOKNTTIC-JOCHJYFZSA-N 0 0 345.446 4.034 50 0 EIAARN COc1ccccc1CN(C(=O)c1cccc2cccnc21)C1CC1 ZINC000055227034 202685547 /nfs/dbraw/zinc/68/55/47/202685547.db2.gz VSIBOLNEWRZBHL-UHFFFAOYSA-N 0 0 332.403 4.048 50 0 EIAARN Cc1noc(C)c1CCC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000056379041 202710764 /nfs/dbraw/zinc/71/07/64/202710764.db2.gz NONAZODQBFABBC-UHFFFAOYSA-N 0 0 332.831 4.073 50 0 EIAARN O=C1c2ccccc2C(=O)N1CCSCc1ccc(F)cc1Cl ZINC000023742021 212392775 /nfs/dbraw/zinc/39/27/75/212392775.db2.gz ZPNIXHDQTKCJTI-UHFFFAOYSA-N 0 0 349.814 4.009 50 0 EIAARN Cc1cc(CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)on1 ZINC000058211809 202744989 /nfs/dbraw/zinc/74/49/89/202744989.db2.gz GPWRAIJLGRJVIN-UHFFFAOYSA-N 0 0 348.362 4.113 50 0 EIAARN COc1cc(C)c(Nc2ncnc3c4ccccc4oc32)cc1OC ZINC000023380915 212371923 /nfs/dbraw/zinc/37/19/23/212371923.db2.gz WRAFLHPJIAEIIT-UHFFFAOYSA-N 0 0 335.363 4.445 50 0 EIAARN CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)c(C)c1 ZINC000058326055 202756119 /nfs/dbraw/zinc/75/61/19/202756119.db2.gz XFLKQYUVWWACSP-GOEBONIOSA-N 0 0 348.512 4.083 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000000028951 201424185 /nfs/dbraw/zinc/42/41/85/201424185.db2.gz BSYMRCJLHFSAIK-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN Cc1ccc(C)c2sc(NC(=O)c3cccc(N(C)C)c3)nc21 ZINC000023268603 212365085 /nfs/dbraw/zinc/36/50/85/212365085.db2.gz QENXGQQWJUZEEC-UHFFFAOYSA-N 0 0 325.437 4.231 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)[nH]n2)s1 ZINC000023108135 212348444 /nfs/dbraw/zinc/34/84/44/212348444.db2.gz XFYMKCYYXICNAE-KGLIPLIRSA-N 0 0 329.469 4.099 50 0 EIAARN COc1cccc(-c2n[nH]cc2-c2nc(-c3ccc(C)c(C)c3)no2)c1 ZINC000023126975 212350323 /nfs/dbraw/zinc/35/03/23/212350323.db2.gz OHQLHKIDFYTGSC-UHFFFAOYSA-N 0 0 346.390 4.419 50 0 EIAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)c1ccc(F)cc1 ZINC000000061389 201428840 /nfs/dbraw/zinc/42/88/40/201428840.db2.gz IWOGFTFQGRGSAH-UHFFFAOYSA-N 0 0 349.390 4.311 50 0 EIAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)NC3CCCCC3)cc21 ZINC000022502697 212302317 /nfs/dbraw/zinc/30/23/17/212302317.db2.gz FCHSZJXXXBMSST-UHFFFAOYSA-N 0 0 343.471 4.076 50 0 EIAARN Cc1cccc(C)c1-n1nnnc1SCc1ccccc1Cl ZINC000000072620 201430440 /nfs/dbraw/zinc/43/04/40/201430440.db2.gz HHWSJQNVQYQYCE-UHFFFAOYSA-N 0 0 330.844 4.225 50 0 EIAARN C[C@H](NC(=O)NCc1nccs1)c1ccc(Cl)cc1Cl ZINC000193450693 240168774 /nfs/dbraw/zinc/16/87/74/240168774.db2.gz BDKFQRHLIUGUPI-QMMMGPOBSA-N 0 0 330.240 4.010 50 0 EIAARN Clc1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1 ZINC000000091577 201433228 /nfs/dbraw/zinc/43/32/28/201433228.db2.gz IFFLPJMKUHQPBV-UHFFFAOYSA-N 0 0 325.586 4.290 50 0 EIAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(F)c(Cl)c2)n1 ZINC000000106449 201435368 /nfs/dbraw/zinc/43/53/68/201435368.db2.gz 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337.389 4.273 50 0 EIAARN Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000071589654 203100315 /nfs/dbraw/zinc/10/03/15/203100315.db2.gz XCSODRGXPIQQLI-QGZVFWFLSA-N 0 0 349.352 4.065 50 0 EIAARN Cc1c[nH]c(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)c1 ZINC000071575231 203100524 /nfs/dbraw/zinc/10/05/24/203100524.db2.gz PSCKKPHFPFUGIG-AWEZNQCLSA-N 0 0 332.394 4.086 50 0 EIAARN CC(C)CCC[C@H]1CN(C(=O)c2c(O)ccc3ccccc32)CCO1 ZINC000071736420 203105270 /nfs/dbraw/zinc/10/52/70/203105270.db2.gz YWOOMMBZWYVNET-KRWDZBQOSA-N 0 0 341.451 4.213 50 0 EIAARN CCn1nc(C)c(Cn2ccnc2-c2ccccc2SC)c1C ZINC000071756932 203108765 /nfs/dbraw/zinc/10/87/65/203108765.db2.gz YXTQOPACHZLQNH-UHFFFAOYSA-N 0 0 326.469 4.154 50 0 EIAARN Cc1noc(Cl)c1CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000071853754 203128670 /nfs/dbraw/zinc/12/86/70/203128670.db2.gz XUMPDQFXBMVUQZ-SNVBAGLBSA-N 0 0 327.211 4.052 50 0 EIAARN O=C(C[C@H]1CCCO1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000071851768 203129341 /nfs/dbraw/zinc/12/93/41/203129341.db2.gz CSLDWAFGRYQFGK-MRXNPFEDSA-N 0 0 342.464 4.197 50 0 EIAARN CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000071803365 203115768 /nfs/dbraw/zinc/11/57/68/203115768.db2.gz FWPZSCMQKSJYEO-UHFFFAOYSA-N 0 0 348.450 4.432 50 0 EIAARN Cc1[nH]c2ccccc2c1C1CCN(Cc2nnc(C3CC3)o2)CC1 ZINC000071824768 203120639 /nfs/dbraw/zinc/12/06/39/203120639.db2.gz PDQOFKYJYLZTQS-UHFFFAOYSA-N 0 0 336.439 4.116 50 0 EIAARN CC(C)[C@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000071829985 203121435 /nfs/dbraw/zinc/12/14/35/203121435.db2.gz AMPRCNLDYKFBNZ-OAHLLOKOSA-N 0 0 348.393 4.199 50 0 EIAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC(C)CC1 ZINC000071857088 203130351 /nfs/dbraw/zinc/13/03/51/203130351.db2.gz XKEDSWUTUCLGGH-UHFFFAOYSA-N 0 0 342.468 4.200 50 0 EIAARN Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1C ZINC000071835007 203124012 /nfs/dbraw/zinc/12/40/12/203124012.db2.gz YTOPHZKBPRXTJH-RBUKOAKNSA-N 0 0 339.435 4.070 50 0 EIAARN COCc1ccccc1C(=O)NC(c1cccs1)c1cccs1 ZINC000071915272 203149503 /nfs/dbraw/zinc/14/95/03/203149503.db2.gz JIOMLZKWQQZSFT-UHFFFAOYSA-N 0 0 343.473 4.475 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000071910107 203147338 /nfs/dbraw/zinc/14/73/38/203147338.db2.gz RGRKWCXPDQZTFK-UHFFFAOYSA-N 0 0 345.670 4.297 50 0 EIAARN CC(=O)c1ccc(Cl)c(Cl)c1OCc1nnc(C2CCC2)o1 ZINC000071893972 203139680 /nfs/dbraw/zinc/13/96/80/203139680.db2.gz XHVKZSONBVZZJY-UHFFFAOYSA-N 0 0 341.194 4.426 50 0 EIAARN CCc1nnc([C@H](C)Sc2nnc(CCC3CCCCC3)o2)o1 ZINC000071893970 203140630 /nfs/dbraw/zinc/14/06/30/203140630.db2.gz IEKGUMGPUPWOHN-NSHDSACASA-N 0 0 336.461 4.381 50 0 EIAARN CC[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000072040416 203159079 /nfs/dbraw/zinc/15/90/79/203159079.db2.gz KOSPZXULBMLCBE-OAHLLOKOSA-N 0 0 346.843 4.265 50 0 EIAARN Cc1nccn1CC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 ZINC000072148748 203170879 /nfs/dbraw/zinc/17/08/79/203170879.db2.gz BCTPNHAYGDHQMF-QGZVFWFLSA-N 0 0 346.862 4.322 50 0 EIAARN COc1cccc(OC)c1-c1ccc(-c2nc(CC(C)C)no2)cn1 ZINC000072145774 203170326 /nfs/dbraw/zinc/17/03/26/203170326.db2.gz UDBWOMWGUBBFKD-UHFFFAOYSA-N 0 0 339.395 4.014 50 0 EIAARN CC[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)c1ccccc1 ZINC000071915126 203149922 /nfs/dbraw/zinc/14/99/22/203149922.db2.gz CYQUCJUIQWBZDN-CQSZACIVSA-N 0 0 344.461 4.476 50 0 EIAARN Cc1cccc(C)c1C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000071916498 203150983 /nfs/dbraw/zinc/15/09/83/203150983.db2.gz DGTQQOIRHITSKA-UHFFFAOYSA-N 0 0 336.435 4.068 50 0 EIAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cn3ccc(C)cc3n2)cc1 ZINC000071928373 203153431 /nfs/dbraw/zinc/15/34/31/203153431.db2.gz BHHYHABWDDLBGV-LJQANCHMSA-N 0 0 349.434 4.019 50 0 EIAARN c1coc(-c2ncc(-c3nccn3-c3cnc4ccccc4c3)cn2)c1 ZINC000072150813 203173389 /nfs/dbraw/zinc/17/33/89/203173389.db2.gz GORXWDPBWOYJCQ-UHFFFAOYSA-N 0 0 339.358 4.138 50 0 EIAARN Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 ZINC000072238581 203184844 /nfs/dbraw/zinc/18/48/44/203184844.db2.gz FZVGABWXWJTZKV-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN Cc1nn(C)c(C)c1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000072278764 203188842 /nfs/dbraw/zinc/18/88/42/203188842.db2.gz HVDALCUODWFTLZ-UHFFFAOYSA-N 0 0 326.444 4.034 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000020169070 212108079 /nfs/dbraw/zinc/10/80/79/212108079.db2.gz DLVHAEYVEMOXIY-UHFFFAOYSA-N 0 0 336.750 4.300 50 0 EIAARN Cc1ccc(-c2n[nH]cc2C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000072328950 203200746 /nfs/dbraw/zinc/20/07/46/203200746.db2.gz TYWAOEYWVUIGMF-UHFFFAOYSA-N 0 0 339.826 4.011 50 0 EIAARN Cc1cccc2c1ccn2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000072324805 203200994 /nfs/dbraw/zinc/20/09/94/203200994.db2.gz USJDIYHQAPMXCH-UHFFFAOYSA-N 0 0 343.430 4.016 50 0 biogenic EIAARN COc1cc(Cl)ccc1C(=O)NCc1ccc(F)cc1Cl ZINC000072331754 203202186 /nfs/dbraw/zinc/20/21/86/203202186.db2.gz FZFXPRFUCUWFQK-UHFFFAOYSA-N 0 0 328.170 4.071 50 0 EIAARN CC(C)c1ccccc1NC(=O)COC(=O)c1nccc2ccccc21 ZINC000072330308 203202296 /nfs/dbraw/zinc/20/22/96/203202296.db2.gz FNTQWVKZABOMTF-UHFFFAOYSA-N 0 0 348.402 4.154 50 0 EIAARN Cc1ccc(-c2nnc3sc(CCCc4ccccc4)nn32)cc1 ZINC000072333594 203202703 /nfs/dbraw/zinc/20/27/03/203202703.db2.gz YMLGLZGEJBJBDL-UHFFFAOYSA-N 0 0 334.448 4.337 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3F)cc2)nn1 ZINC000072442144 203225398 /nfs/dbraw/zinc/22/53/98/203225398.db2.gz CTPMYQQBCSYIOV-UHFFFAOYSA-N 0 0 341.317 4.108 50 0 EIAARN O=C(NCC1CCOCC1)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000072405597 203215378 /nfs/dbraw/zinc/21/53/78/203215378.db2.gz RTYDGZWIWDFSEG-UHFFFAOYSA-N 0 0 343.370 4.077 50 0 EIAARN O=C1C[C@H](c2ccccc2F)c2cnn(Cc3cccs3)c2N1 ZINC000072406504 203215851 /nfs/dbraw/zinc/21/58/51/203215851.db2.gz HRYHHOIGXMKDDA-CYBMUJFWSA-N 0 0 327.384 4.256 50 0 EIAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc(Cl)s1 ZINC000072430045 203222949 /nfs/dbraw/zinc/22/29/49/203222949.db2.gz AIBNPVNMPWUZAU-UHFFFAOYSA-N 0 0 332.812 4.329 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1ccncc1Cl ZINC000073012036 203254456 /nfs/dbraw/zinc/25/44/56/203254456.db2.gz CDLMTZYBWIGAAO-GOSISDBHSA-N 0 0 340.785 4.394 50 0 EIAARN O=C(c1cccc(Br)c1)N(Cc1ccsc1)C1CC1 ZINC000040492165 203259133 /nfs/dbraw/zinc/25/91/33/203259133.db2.gz XKBLUPAPMJBPKY-UHFFFAOYSA-N 0 0 336.254 4.315 50 0 EIAARN C[C@H](c1ccco1)N(C)C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000074519250 203290221 /nfs/dbraw/zinc/29/02/21/203290221.db2.gz TXYVUORLAZGECO-CYBMUJFWSA-N 0 0 343.354 4.424 50 0 EIAARN Cc1c(NC(=O)c2ccc(C)c(Oc3ccncc3)c2)n[nH]c1C1CC1 ZINC000075139663 203306350 /nfs/dbraw/zinc/30/63/50/203306350.db2.gz YYPMPZNVCOKJCX-UHFFFAOYSA-N 0 0 348.406 4.344 50 0 EIAARN C[C@H](O)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000075147288 203307889 /nfs/dbraw/zinc/30/78/89/203307889.db2.gz JSRVJEKVWPVWDA-JTQLQIEISA-N 0 0 339.222 4.097 50 0 EIAARN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1F ZINC000075437355 203314477 /nfs/dbraw/zinc/31/44/77/203314477.db2.gz VLGWYCWXWFUDHZ-UHFFFAOYSA-N 0 0 341.773 4.497 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)CNc1c(C)cccc1Cl ZINC000075093223 203300116 /nfs/dbraw/zinc/30/01/16/203300116.db2.gz UWLHDCVREFBDOW-UHFFFAOYSA-N 0 0 339.222 4.361 50 0 EIAARN Cc1cccc(-c2nocc2CCC(=O)NCc2cccc(F)c2)c1 ZINC000075510230 203316135 /nfs/dbraw/zinc/31/61/35/203316135.db2.gz LJOWSILHVPFDIL-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN C[C@@H](NC(=O)CCc1conc1-c1ccccc1)c1ccc(F)cc1 ZINC000075510138 203316298 /nfs/dbraw/zinc/31/62/98/203316298.db2.gz NFRYLGQYFXKBBK-CQSZACIVSA-N 0 0 338.382 4.291 50 0 EIAARN O=C(CCc1conc1-c1cccc(F)c1)NCC1CCCCC1 ZINC000075510499 203316448 /nfs/dbraw/zinc/31/64/48/203316448.db2.gz HBBRKUDLSOLYOU-UHFFFAOYSA-N 0 0 330.403 4.110 50 0 EIAARN Cc1ccc(C)c(CNC(=O)CCc2conc2-c2ccccc2)c1 ZINC000075510132 203316695 /nfs/dbraw/zinc/31/66/95/203316695.db2.gz LBERPHJSKSUQLH-UHFFFAOYSA-N 0 0 334.419 4.207 50 0 EIAARN CCn1nc(C)c(NC(=O)Nc2cccc(COC(C)C)c2)c1C ZINC000076070205 203334829 /nfs/dbraw/zinc/33/48/29/203334829.db2.gz XKUSEHDRVPFRNM-UHFFFAOYSA-N 0 0 330.432 4.089 50 0 EIAARN COCc1nc(C)cc(N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000076091831 203337099 /nfs/dbraw/zinc/33/70/99/203337099.db2.gz ISXURUWOFQEVEG-ZWKOTPCHSA-N 0 0 325.456 4.012 50 0 EIAARN COc1cccc([C@@H]2CCCN2C(=O)c2ccccc2-c2ncc[nH]2)c1 ZINC000077286825 203376661 /nfs/dbraw/zinc/37/66/61/203376661.db2.gz CCGAZSFBRSMOJJ-IBGZPJMESA-N 0 0 347.418 4.063 50 0 EIAARN O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ccccc2F)C1 ZINC000077303353 203378797 /nfs/dbraw/zinc/37/87/97/203378797.db2.gz ZBSCFBNZWFRNRN-OAHLLOKOSA-N 0 0 336.366 4.110 50 0 EIAARN Cc1cc2cccc(C(=O)N3CCN(c4ccc(C)cc4)C[C@H]3C)c2o1 ZINC000077339353 203381329 /nfs/dbraw/zinc/38/13/29/203381329.db2.gz HTJAAHQROAEHLT-MRXNPFEDSA-N 0 0 348.446 4.401 50 0 EIAARN Cc1cccc2nc(C(=O)N3CCCC[C@H]3c3cccc(F)c3)cn21 ZINC000077353816 203382138 /nfs/dbraw/zinc/38/21/38/203382138.db2.gz NRFMYEFBLSGVID-SFHVURJKSA-N 0 0 337.398 4.149 50 0 EIAARN Cc1ncsc1C(=O)N1CCC(Sc2ccccc2C)CC1 ZINC000077354603 203382849 /nfs/dbraw/zinc/38/28/49/203382849.db2.gz QNGYEYSLTVBMBJ-UHFFFAOYSA-N 0 0 332.494 4.157 50 0 EIAARN CC[C@H]1c2cccn2CCN1C(=O)c1[nH]c2c(cccc2F)c1C ZINC000077356564 203383237 /nfs/dbraw/zinc/38/32/37/203383237.db2.gz LGCWBEDYQFZJJP-HNNXBMFYSA-N 0 0 325.387 4.024 50 0 EIAARN C[C@]12CCC[C@@H]1[C@@H]1C(=O)C[C@H]3CC4(CC[C@]3(C)[C@H]1CC2)OCCO4 ZINC000257345866 244582044 /nfs/dbraw/zinc/58/20/44/244582044.db2.gz LXOGEYSXRYPSCR-AEVHBADWSA-N 0 0 332.484 4.341 50 0 EIAARN COc1cccc(CC(=O)N2CCC(=Cc3ccccc3F)CC2)c1 ZINC000079093660 203440092 /nfs/dbraw/zinc/44/00/92/203440092.db2.gz BPKWMXRQHOCCBR-UHFFFAOYSA-N 0 0 339.410 4.083 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)c2cc(-c3cccnc3)on2)CC1 ZINC000089941981 203605258 /nfs/dbraw/zinc/60/52/58/203605258.db2.gz DHOJFQIQOAMFQD-UHFFFAOYSA-N 0 0 341.455 4.461 50 0 EIAARN C[C@@H](Nc1ccc(NC(=O)CCn2cccn2)cc1)c1ccccc1 ZINC000089905739 203602181 /nfs/dbraw/zinc/60/21/81/203602181.db2.gz JLRKPQHLRBDRAZ-MRXNPFEDSA-N 0 0 334.423 4.085 50 0 EIAARN COc1cccc([C@H]2CCN2C(=O)c2[nH]c3ccc(C)cc3c2C)c1 ZINC000091746268 203650292 /nfs/dbraw/zinc/65/02/92/203650292.db2.gz QZNYXDJTUJTRPV-LJQANCHMSA-N 0 0 334.419 4.381 50 0 EIAARN CCCN(CCc1ccccc1)C(=O)c1cc(C(C)C)nn1CC ZINC000091932140 203659391 /nfs/dbraw/zinc/65/93/91/203659391.db2.gz HOVKCCNLMMEHEB-UHFFFAOYSA-N 0 0 327.472 4.121 50 0 EIAARN Cc1cc(CN(C)C(=O)c2ccc(-c3ccccc3Cl)o2)on1 ZINC000091974091 203661748 /nfs/dbraw/zinc/66/17/48/203661748.db2.gz GKLNOCOALHIOIM-UHFFFAOYSA-N 0 0 330.771 4.169 50 0 EIAARN CCN(C/C=C/c1ccccc1)C(=O)c1c[nH]nc1-c1cccc(F)c1 ZINC000092066644 203665355 /nfs/dbraw/zinc/66/53/55/203665355.db2.gz SAYQZXSSGKYOFK-JXMROGBWSA-N 0 0 349.409 4.391 50 0 EIAARN CC(C)n1ccc2c1cccc2NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000095477882 203748886 /nfs/dbraw/zinc/74/88/86/203748886.db2.gz RZHNKWMVHNAVTF-UHFFFAOYSA-N 0 0 345.402 4.316 50 0 EIAARN CC(C)c1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCC2 ZINC000095479124 203749928 /nfs/dbraw/zinc/74/99/28/203749928.db2.gz UPKLSJUDHMRNPI-UHFFFAOYSA-N 0 0 327.862 4.117 50 0 EIAARN C[C@@H]1CCN(C(=O)c2occc2Br)CC12CCCCC2 ZINC000095943433 203770471 /nfs/dbraw/zinc/77/04/71/203770471.db2.gz YNJIPVCCOGCCII-GFCCVEGCSA-N 0 0 340.261 4.475 50 0 EIAARN CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000096135761 203839747 /nfs/dbraw/zinc/83/97/47/203839747.db2.gz FENQNDMJSMODCD-LBPRGKRZSA-N 0 0 331.243 4.416 50 0 EIAARN Cn1cnc2ccc(NC(=O)N3CCCCC[C@H]3c3ccco3)cc21 ZINC000096152115 203844269 /nfs/dbraw/zinc/84/42/69/203844269.db2.gz MAQBAMFBXLOXFD-INIZCTEOSA-N 0 0 338.411 4.316 50 0 EIAARN Fc1cccc(-c2ncnc(Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000096191548 203859000 /nfs/dbraw/zinc/85/90/00/203859000.db2.gz ZYOOKSLOKIESNW-UHFFFAOYSA-N 0 0 334.276 4.440 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)Nc1ncccc1OCc1ccccc1 ZINC000096319085 203889773 /nfs/dbraw/zinc/88/97/73/203889773.db2.gz ZAYAPPXZAKUTCC-INIZCTEOSA-N 0 0 348.402 4.067 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1cccc(OC)c1 ZINC000096920613 203900819 /nfs/dbraw/zinc/90/08/19/203900819.db2.gz FFDAPFZZVQLMHC-ZPUOCTKUSA-N 0 0 327.449 4.306 50 0 EIAARN O=C(/C=C\c1ccc(Br)cc1)Nc1ccc2c(c1)CCO2 ZINC000097015945 203906021 /nfs/dbraw/zinc/90/60/21/203906021.db2.gz PJWMHBXAQDDMNV-BAQGIRSFSA-N 0 0 344.208 4.036 50 0 EIAARN O=C(CCc1ccsc1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000097016157 203906441 /nfs/dbraw/zinc/90/64/41/203906441.db2.gz XKHONGJIJBRHRW-DLBZAZTESA-N 0 0 347.480 4.169 50 0 EIAARN CCc1ccc(-n2nnnc2C=CNc2ccc(F)c(Cl)c2)cc1 ZINC000100160104 203989464 /nfs/dbraw/zinc/98/94/64/203989464.db2.gz XSEBHGZRNAPGOP-MDZDMXLPSA-N 0 0 343.793 4.100 50 0 EIAARN Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(Cl)cc1 ZINC000100163449 203990287 /nfs/dbraw/zinc/99/02/87/203990287.db2.gz HLDNTBDDSZYDMO-VLGSPTGOSA-N 0 0 332.812 4.050 50 0 EIAARN CCN(Cc1c(F)cccc1Cl)C(=O)c1cccc2nccnc21 ZINC000097575068 203950640 /nfs/dbraw/zinc/95/06/40/203950640.db2.gz GZAHWDURHLONOA-UHFFFAOYSA-N 0 0 343.789 4.085 50 0 EIAARN Cc1cccc(C)c1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C1=O ZINC000102550103 204041872 /nfs/dbraw/zinc/04/18/72/204041872.db2.gz LXMXXHOFCGOTQV-OTWHNJEPSA-N 0 0 333.431 4.377 50 0 EIAARN Cc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(F)cc1)=N2 ZINC000100716854 203996380 /nfs/dbraw/zinc/99/63/80/203996380.db2.gz APDZLMQBVSPXOO-QGZVFWFLSA-N 0 0 340.789 4.435 50 0 EIAARN Fc1ccc(C2=Nc3ncnn3[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000100987281 204000093 /nfs/dbraw/zinc/00/00/93/204000093.db2.gz RVCRMXKVBCXYKO-OAHLLOKOSA-N 0 0 344.752 4.266 50 0 EIAARN CN(CCc1ccccc1)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101357768 204005619 /nfs/dbraw/zinc/00/56/19/204005619.db2.gz ZUFBCRVLRAIOQJ-QFIPXVFZSA-N 0 0 342.442 4.255 50 0 EIAARN CCOc1ccc(C2=NC(=S)C(c3ccc(OC)cc3)N2)cc1 ZINC000101478565 204007273 /nfs/dbraw/zinc/00/72/73/204007273.db2.gz WLAHQKIRDRZJRB-UHFFFAOYSA-N 0 0 326.421 4.440 50 0 EIAARN CC(C)Cc1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041123420 204007530 /nfs/dbraw/zinc/00/75/30/204007530.db2.gz NAPJVVXMSAFUIJ-INIZCTEOSA-N 0 0 333.476 4.292 50 0 EIAARN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccn2C)ccc1F ZINC000101762844 204020744 /nfs/dbraw/zinc/02/07/44/204020744.db2.gz BZMXTEHVQIGDLB-BJWYYQGGSA-N 0 0 326.415 4.023 50 0 EIAARN Cc1ccc(-c2c(=O)c(=O)c2Nc2ccccc2C(F)(F)F)cc1C ZINC000101982314 204029285 /nfs/dbraw/zinc/02/92/85/204029285.db2.gz QWLDQGHDQVKBQX-UHFFFAOYSA-N 0 0 345.320 4.329 50 0 EIAARN CCOc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=Nc3ncnn32)cc1 ZINC000102047894 204029959 /nfs/dbraw/zinc/02/99/59/204029959.db2.gz DQRIOOIICOYPDD-FQEVSTJZSA-N 0 0 346.434 4.350 50 0 EIAARN Cc1ccc(C2=Nc3nnnn3[C@H](c3ccc(C(C)C)cc3)C2)cc1C ZINC000102048130 204030341 /nfs/dbraw/zinc/03/03/41/204030341.db2.gz ISOGQRUKZOPVGJ-FQEVSTJZSA-N 0 0 345.450 4.469 50 0 EIAARN COCCOC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000102204739 204035046 /nfs/dbraw/zinc/03/50/46/204035046.db2.gz SMNHPSXIWLSABU-YPKPFQOOSA-N 0 0 349.386 4.118 50 0 EIAARN C[C@@H](NC(=O)N1CCC(n2ccnc2)CC1)c1cccc2ccccc21 ZINC000103298914 204073063 /nfs/dbraw/zinc/07/30/63/204073063.db2.gz QPLDKCAEQZWDIZ-MRXNPFEDSA-N 0 0 348.450 4.144 50 0 EIAARN Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000102602525 204043673 /nfs/dbraw/zinc/04/36/73/204043673.db2.gz IRZBQEJIIHYIIU-XXFAHNHDSA-N 0 0 328.803 4.157 50 0 EIAARN Cc1cc(S(=O)(=O)NC2CCCCCC2)c(Cl)cc1Cl ZINC000107479288 204237025 /nfs/dbraw/zinc/23/70/25/204237025.db2.gz NCEGGXYELGKXDU-UHFFFAOYSA-N 0 0 336.284 4.303 50 0 EIAARN CCC[C@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000046970232 204336661 /nfs/dbraw/zinc/33/66/61/204336661.db2.gz GAWHCOUFWOZLCH-JKSUJKDBSA-N 0 0 326.440 4.274 50 0 EIAARN COc1ccc(OC)c(-c2csc(Nc3ccc(F)cn3)n2)c1 ZINC000049006111 204362339 /nfs/dbraw/zinc/36/23/39/204362339.db2.gz LSYNGSVEPBREKG-UHFFFAOYSA-N 0 0 331.372 4.105 50 0 EIAARN Cc1cc2ccccc2n1CCCNC(=O)c1cc(-c2ccco2)on1 ZINC000049028594 204363660 /nfs/dbraw/zinc/36/36/60/204363660.db2.gz FTAWUXMIWLBFHE-UHFFFAOYSA-N 0 0 349.390 4.018 50 0 EIAARN O=C(CCNc1ccc(F)c(Cl)c1)c1cc2ccccc2oc1=O ZINC000049947115 214037454 /nfs/dbraw/zinc/03/74/54/214037454.db2.gz OOIFJNWQZVCUFM-UHFFFAOYSA-N 0 0 345.757 4.270 50 0 biogenic,in-vitro EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc2ncccc21 ZINC000018823668 211995876 /nfs/dbraw/zinc/99/58/76/211995876.db2.gz OPUGRTBBDBDAGQ-UHFFFAOYSA-N 0 0 344.414 4.325 50 0 EIAARN N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000017068490 211949484 /nfs/dbraw/zinc/94/94/84/211949484.db2.gz ZLPGTELEOLOWOI-UHFFFAOYSA-N 0 0 333.174 4.471 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3C)no2)cc1 ZINC000016577087 211913576 /nfs/dbraw/zinc/91/35/76/211913576.db2.gz VBQKFYVBTIMRGA-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN CC(=O)Nc1cc(NC(=O)NC/C=C/c2ccccc2)ccc1Cl ZINC000079036837 217178739 /nfs/dbraw/zinc/17/87/39/217178739.db2.gz BNIUYXDCUFOOCC-VMPITWQZSA-N 0 0 343.814 4.133 50 0 EIAARN Cc1nnc([C@@H](C)SCc2nn(-c3ccccc3)c3c2CCC3)o1 ZINC000125454344 205012227 /nfs/dbraw/zinc/01/22/27/205012227.db2.gz UIZGPPQNDRDBNA-GFCCVEGCSA-N 0 0 340.452 4.047 50 0 EIAARN Cc1cnc(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)o1 ZINC000127963186 205126238 /nfs/dbraw/zinc/12/62/38/205126238.db2.gz LDLYLLBMVHRXPM-GOSISDBHSA-N 0 0 328.799 4.330 50 0 EIAARN Cc1c(NC(=O)[C@@H](C)c2cccc(C)c2)cnn1-c1ccccc1F ZINC000129617530 205203450 /nfs/dbraw/zinc/20/34/50/205203450.db2.gz WWDQNXGCWNJSJR-AWEZNQCLSA-N 0 0 337.398 4.370 50 0 EIAARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000015475685 211826893 /nfs/dbraw/zinc/82/68/93/211826893.db2.gz RZEYTBRYBCIETK-LBPRGKRZSA-N 0 0 346.377 4.216 50 0 EIAARN C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2 ZINC000015092287 211802681 /nfs/dbraw/zinc/80/26/81/211802681.db2.gz OEKKZBIAHZCSQI-OAHLLOKOSA-N 0 0 332.447 4.467 50 0 EIAARN CC(C)[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl ZINC000000086839 205399434 /nfs/dbraw/zinc/39/94/34/205399434.db2.gz MOWKPRHIVJNEAX-STQMWFEESA-N 0 0 329.223 4.459 50 0 EIAARN O=C(Nc1ccc2c3c(cccc31)C(=O)N2)C1C2CC3CC(C2)CC1C3 ZINC000000127479 205405218 /nfs/dbraw/zinc/40/52/18/205405218.db2.gz KXYAJGAVZABAFD-UHFFFAOYSA-N 0 0 346.430 4.416 50 0 EIAARN CC(C)OC(=O)[C@H](C)Sc1ncnc2sc3c(c21)CCCC3 ZINC000000145085 205411720 /nfs/dbraw/zinc/41/17/20/205411720.db2.gz XCOVXCKSVAJWND-JTQLQIEISA-N 0 0 336.482 4.002 50 0 EIAARN COc1cc(OC)c2c(c1)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000000491363 205468977 /nfs/dbraw/zinc/46/89/77/205468977.db2.gz PEFHPBRNPWDAPU-OAQYLSRUSA-N 0 0 337.419 4.233 50 0 biogenic EIAARN CC[C@H](C)c1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000505056 205476481 /nfs/dbraw/zinc/47/64/81/205476481.db2.gz RDGIWPDOCHQLBQ-ZDUSSCGKSA-N 0 0 344.407 4.445 50 0 EIAARN CCOc1cc(Cl)c([C@H](C)NC(=O)c2cccnc2)cc1OCC ZINC000000995556 205572705 /nfs/dbraw/zinc/57/27/05/205572705.db2.gz RIKNWPIRSCXWQZ-LBPRGKRZSA-N 0 0 348.830 4.023 50 0 EIAARN COc1cccc(OC)c1C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000001787447 205600057 /nfs/dbraw/zinc/60/00/57/205600057.db2.gz ARVLWIFEMJOMDQ-UHFFFAOYSA-N 0 0 328.408 4.358 50 0 EIAARN Clc1nc(Cl)c(Cl)c(I)c1Cl ZINC000002173327 205616681 /nfs/dbraw/zinc/61/66/81/205616681.db2.gz BTABLTRRNRROBK-UHFFFAOYSA-N 0 0 342.778 4.300 50 0 EIAARN CSc1ccc([C@@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 ZINC000002499949 205620530 /nfs/dbraw/zinc/62/05/30/205620530.db2.gz XIRDQZVOWARVPD-KGLIPLIRSA-N 0 0 328.466 4.208 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000003326812 205652813 /nfs/dbraw/zinc/65/28/13/205652813.db2.gz IOEJZRHOEAUCCS-GOSISDBHSA-N 0 0 332.403 4.457 50 0 EIAARN COc1ccc(CNc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000003278372 205649673 /nfs/dbraw/zinc/64/96/73/205649673.db2.gz OZNUEBDRZHIVSU-UHFFFAOYSA-N 0 0 339.464 4.499 50 0 EIAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccc(F)cc2)c1 ZINC000004120315 205681078 /nfs/dbraw/zinc/68/10/78/205681078.db2.gz BUXHCTWHAYUWEY-UHFFFAOYSA-N 0 0 342.439 4.188 50 0 EIAARN CC(C)c1cc(-c2nc(-c3ccncc3)no2)nn1-c1ccccc1 ZINC000151688420 205663193 /nfs/dbraw/zinc/66/31/93/205663193.db2.gz BZGROHUALLJUGJ-UHFFFAOYSA-N 0 0 331.379 4.108 50 0 EIAARN COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccccc32)cc1 ZINC000004129707 205683207 /nfs/dbraw/zinc/68/32/07/205683207.db2.gz YXFNGHHNQSIYJK-UHFFFAOYSA-N 0 0 341.414 4.438 50 0 EIAARN CCOc1cc2c(cc1NCc1nc(C3CCCC3)no1)O[C@H](C)C2 ZINC000151837145 205677719 /nfs/dbraw/zinc/67/77/19/205677719.db2.gz MXIGWFYYSSIEBN-GFCCVEGCSA-N 0 0 343.427 4.061 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)c(C)c1 ZINC000004479461 205708541 /nfs/dbraw/zinc/70/85/41/205708541.db2.gz HQLLSLYAEWYKIG-UHFFFAOYSA-N 0 0 347.418 4.485 50 0 EIAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C1CCCCC1 ZINC000004305110 205697887 /nfs/dbraw/zinc/69/78/87/205697887.db2.gz WMQGBZKHHMUAJL-IBGZPJMESA-N 0 0 338.451 4.080 50 0 EIAARN O=C(Nc1nc2cc3c(cc2s1)OCO3)c1cccc2ccccc21 ZINC000004325815 205698771 /nfs/dbraw/zinc/69/87/71/205698771.db2.gz LMTCMRQJHVUEIO-UHFFFAOYSA-N 0 0 348.383 4.431 50 0 EIAARN CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 ZINC000004393792 205700924 /nfs/dbraw/zinc/70/09/24/205700924.db2.gz IXEQYWVOVUGNME-UHFFFAOYSA-N 0 0 343.766 4.097 50 0 EIAARN Cc1cccc(C[C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC000004828907 205720885 /nfs/dbraw/zinc/72/08/85/205720885.db2.gz TUOLGQSIXKUAJF-AWEZNQCLSA-N 0 0 347.336 4.136 50 0 EIAARN Cc1ccc(C)c(OCCC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000005089950 205744779 /nfs/dbraw/zinc/74/47/79/205744779.db2.gz XWRSZZMLSOJVKI-UHFFFAOYSA-N 0 0 338.451 4.311 50 0 EIAARN Cc1c2c(cc(-c3ccccc3)[n+]1CCCCCC(=O)[O-])CCCC2 ZINC000005157459 205754292 /nfs/dbraw/zinc/75/42/92/205754292.db2.gz ZQVKMIJWJMYPTQ-UHFFFAOYSA-O 0 0 338.471 4.473 50 0 EIAARN COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)nn1 ZINC000005259485 205759513 /nfs/dbraw/zinc/75/95/13/205759513.db2.gz PBKDPDKQMJRBFI-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN COCCn1cc(NC(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000005266480 205763728 /nfs/dbraw/zinc/76/37/28/205763728.db2.gz FTOYALLTJAOFIB-UHFFFAOYSA-N 0 0 327.359 4.071 50 0 EIAARN COc1cccc(C(=O)Nc2nc3ccc(SC)cc3s2)c1 ZINC000005299094 205766149 /nfs/dbraw/zinc/76/61/49/205766149.db2.gz MRCSWDYBCAWQPC-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN Cc1cccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1C ZINC000005755938 205777192 /nfs/dbraw/zinc/77/71/92/205777192.db2.gz UJDAQKDLBREAEZ-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000005557353 205777737 /nfs/dbraw/zinc/77/77/37/205777737.db2.gz ODTFHCPOZMDZCO-UHFFFAOYSA-N 0 0 337.385 4.333 50 0 EIAARN Cc1ccc2c(CC(=O)OCC(=O)c3cc(C)ccc3C)coc2c1 ZINC000006082486 205795156 /nfs/dbraw/zinc/79/51/56/205795156.db2.gz ZUSFEUPPYBIESW-UHFFFAOYSA-N 0 0 336.387 4.327 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000007269231 205836645 /nfs/dbraw/zinc/83/66/45/205836645.db2.gz GNCDALBFOQIXCD-PBHICJAKSA-N 0 0 327.449 4.116 50 0 EIAARN COc1ccccc1OC(=O)COc1ccccc1Cc1ccccc1 ZINC000007668482 205839618 /nfs/dbraw/zinc/83/96/18/205839618.db2.gz DLEINCJOTFRYGT-UHFFFAOYSA-N 0 0 348.398 4.270 50 0 EIAARN COc1ccc(C=O)cc1Oc1nc(C(F)(F)F)nc2ccccc21 ZINC000008325973 205849424 /nfs/dbraw/zinc/84/94/24/205849424.db2.gz KGPAOFQOFDSCAG-UHFFFAOYSA-N 0 0 348.280 4.262 50 0 EIAARN CCCCn1nc(C)c(/C=C/C(=O)Nc2cccc(OC)c2)c1Cl ZINC000014083149 211679121 /nfs/dbraw/zinc/67/91/21/211679121.db2.gz PBZAAASSBIQYBW-MDZDMXLPSA-N 0 0 347.846 4.306 50 0 EIAARN CSc1sc(Br)c(Cl)c1S(=O)(=O)C(C)C ZINC000000125103 206207726 /nfs/dbraw/zinc/20/77/26/206207726.db2.gz JTCMUDOVFNAXIW-UHFFFAOYSA-N 0 0 349.724 4.068 50 0 EIAARN CCN(Cc1ccccc1)c1ncnc2ccc(Br)cc21 ZINC000000099172 206207840 /nfs/dbraw/zinc/20/78/40/206207840.db2.gz ZPPFWCRLEZPCJM-UHFFFAOYSA-N 0 0 342.240 4.419 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl ZINC000000139503 206208034 /nfs/dbraw/zinc/20/80/34/206208034.db2.gz MALPURSECXROCY-UHFFFAOYSA-N 0 0 333.218 4.447 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000089573 206210802 /nfs/dbraw/zinc/21/08/02/206210802.db2.gz ULFXUQARNWBNLJ-HUUCEWRRSA-N 0 0 343.448 4.284 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1Cl ZINC000000503610 206236991 /nfs/dbraw/zinc/23/69/91/206236991.db2.gz YMCXKBIIMBYUKU-UHFFFAOYSA-N 0 0 337.828 4.447 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000511959 206238094 /nfs/dbraw/zinc/23/80/94/206238094.db2.gz FYWRYPAXASOPOP-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000000450582 206241637 /nfs/dbraw/zinc/24/16/37/206241637.db2.gz OANRMXWORHWCBM-ZDUSSCGKSA-N 0 0 332.241 4.200 50 0 EIAARN O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccs1 ZINC000000440255 206241648 /nfs/dbraw/zinc/24/16/48/206241648.db2.gz VXEFOKJKKJMUKV-UHFFFAOYSA-N 0 0 328.418 4.314 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc2oc(=O)ccc2c1 ZINC000000557503 206242551 /nfs/dbraw/zinc/24/25/51/206242551.db2.gz OCKWPOFNUMDBSR-UHFFFAOYSA-N 0 0 345.807 4.177 50 0 EIAARN Cc1cc(NC(=O)Cc2ccccc2)ccc1NC(=O)c1ccco1 ZINC000000882236 206254658 /nfs/dbraw/zinc/25/46/58/206254658.db2.gz KRFSUVYUSVOIMN-UHFFFAOYSA-N 0 0 334.375 4.022 50 0 EIAARN Cn1c2c(cc(Cl)cc2Cl)s/c1=N\C(=O)c1cccs1 ZINC000100823856 206258232 /nfs/dbraw/zinc/25/82/32/206258232.db2.gz CHGRBQYNGHDGAX-SSZFMOIBSA-N 0 0 343.260 4.349 50 0 EIAARN CCN(c1cccc2ccccc21)S(=O)(=O)c1ccc(Cl)nc1 ZINC000001020470 206265420 /nfs/dbraw/zinc/26/54/20/206265420.db2.gz FPXNCHNLQUODIO-UHFFFAOYSA-N 0 0 346.839 4.103 50 0 EIAARN CCCCc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001909370 206372495 /nfs/dbraw/zinc/37/24/95/206372495.db2.gz 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Cc1cc(=O)oc2c1c(C(F)(F)F)nn2-c1ccc(C)c(Cl)c1 ZINC000334162679 258015757 /nfs/dbraw/zinc/01/57/57/258015757.db2.gz FFCIEFJKWQMNCN-UHFFFAOYSA-N 0 0 342.704 4.268 50 0 EIAARN Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3cccc4cc(C)oc43)C2)n1 ZINC000299791059 258097031 /nfs/dbraw/zinc/09/70/31/258097031.db2.gz CWDNCWWIBICRAC-MRXNPFEDSA-N 0 0 338.411 4.033 50 0 EIAARN Cc1cc2occ(CC(=O)NCCCOC3CCCC3)c2cc1Cl ZINC000299795347 258099718 /nfs/dbraw/zinc/09/97/18/258099718.db2.gz LIJIIJYOVROVIR-UHFFFAOYSA-N 0 0 349.858 4.403 50 0 EIAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(Cl)c[nH]1 ZINC000025194973 258057511 /nfs/dbraw/zinc/05/75/11/258057511.db2.gz VLHACMCSENAUPR-GOSISDBHSA-N 0 0 339.778 4.449 50 0 EIAARN CCOC(=O)[C@@H]1CN(N=O)[C@@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000245239028 258073076 /nfs/dbraw/zinc/07/30/76/258073076.db2.gz DPZKOOVUUPQRNK-IPMKNSEASA-N 0 0 338.407 4.078 50 0 EIAARN Cc1c(C(=O)N2CCC(Sc3ccccc3C)CC2)ccn1C ZINC000299762265 258078677 /nfs/dbraw/zinc/07/86/77/258078677.db2.gz 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ZINC000006844662 135677917 /nfs/dbraw/zinc/67/79/17/135677917.db2.gz FINYXEBMDYCNCL-HNNXBMFYSA-N 0 0 326.396 4.295 50 0 EIAARN COc1cc(NC(=O)N2C[C@@H](C)Sc3ccccc32)cc(OC)c1 ZINC000006876961 135678156 /nfs/dbraw/zinc/67/81/56/135678156.db2.gz KLGQJZPQGWZRHY-GFCCVEGCSA-N 0 0 344.436 4.237 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)C[C@@H]2C)cc1 ZINC000013320317 135700085 /nfs/dbraw/zinc/70/00/85/135700085.db2.gz IGQINDVIZBAPQK-INIZCTEOSA-N 0 0 341.430 4.185 50 0 EIAARN Cc1nn2c(nc(C)cc2N2C[C@H](C)C[C@H](C)C2)c1-c1ccccc1 ZINC000018067347 135712886 /nfs/dbraw/zinc/71/28/86/135712886.db2.gz DZDMZEUZRUVVJW-GASCZTMLSA-N 0 0 334.467 4.495 50 0 EIAARN CC(C)c1nc(CN(C)C(=O)Nc2ccnn2[C@H](C)C2CC2)cs1 ZINC000096135707 262534753 /nfs/dbraw/zinc/53/47/53/262534753.db2.gz KATCDSXTNAGXQG-GFCCVEGCSA-N 0 0 347.488 4.098 50 0 EIAARN CC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1N1CCC(C)CC1 ZINC000390834932 518288792 /nfs/dbraw/zinc/28/87/92/518288792.db2.gz TTYWDRYJHHMPAJ-UHFFFAOYSA-N 0 0 332.444 4.473 50 0 EIAARN Cc1ccc(CSc2nc(CC(=O)NCCC(C)C)cs2)cc1 ZINC000008936153 524647057 /nfs/dbraw/zinc/64/70/57/524647057.db2.gz QVLJLFVVOMUDGJ-UHFFFAOYSA-N 0 0 348.537 4.449 50 0 EIAARN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000097038611 525724959 /nfs/dbraw/zinc/72/49/59/525724959.db2.gz HOHXJQDGPXEGHS-CYBMUJFWSA-N 0 0 341.459 4.095 50 0 EIAARN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000004821247 525731793 /nfs/dbraw/zinc/73/17/93/525731793.db2.gz FGYPGPIXWLTKMJ-UHFFFAOYSA-N 0 0 349.459 4.491 50 0 EIAARN O=C(C=Cc1ccc(Cl)cc1)OCC(=O)c1c[nH]c2ccccc12 ZINC000035352351 527655336 /nfs/dbraw/zinc/65/53/36/527655336.db2.gz BXQDCWXEYPQWPE-YFHOEESVSA-N 0 0 339.778 4.261 50 0 EIAARN CC(C)COc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1 ZINC000041155830 535215327 /nfs/dbraw/zinc/21/53/27/535215327.db2.gz RFISQUSHXGXNSS-OAHLLOKOSA-N 0 0 325.408 4.149 50 0 EIAARN CCOc1ccc(C(=O)N2CCCc3ccccc32)cc1OCC ZINC000000265949 535699976 /nfs/dbraw/zinc/69/99/76/535699976.db2.gz UVVOBNJFDGKLQG-UHFFFAOYSA-N 0 0 325.408 4.077 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)N1c2ccc(F)cc2CC[C@@H]1C ZINC000000483681 535818167 /nfs/dbraw/zinc/81/81/67/535818167.db2.gz HMUCRJRZWGLFED-IFXJQAMLSA-N 0 0 327.399 4.351 50 0 EIAARN COc1ccccc1CC(=O)N1CCS[C@H](c2cccs2)CC1 ZINC000219512083 537017101 /nfs/dbraw/zinc/01/71/01/537017101.db2.gz HGRRNNORASSIPD-KRWDZBQOSA-N 0 0 347.505 4.006 50 0 EIAARN C[S@](=O)(=NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013466054 563698905 /nfs/dbraw/zinc/69/89/05/563698905.db2.gz WAAPTFBSFWGDTF-HXUWFJFHSA-N 0 0 328.220 4.291 50 0 EIAARN COC(=O)c1ccc(NC(=O)c2ccccc2SC(F)F)s1 ZINC000015194214 563779661 /nfs/dbraw/zinc/77/96/61/563779661.db2.gz POPVMNJSUAQGCO-UHFFFAOYSA-N 0 0 343.376 4.102 50 0 EIAARN O=C(Nc1cc(Cl)cc(Cl)c1)C(=S)NC1CCCCC1 ZINC000000041478 563968638 /nfs/dbraw/zinc/96/86/38/563968638.db2.gz CGDJNMBFDXBLRM-UHFFFAOYSA-N 0 0 331.268 4.182 50 0 EIAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Br)o1 ZINC000001279271 564062881 /nfs/dbraw/zinc/06/28/81/564062881.db2.gz ZLISIWYLJOYUJK-UHFFFAOYSA-N 0 0 341.161 4.043 50 0 EIAARN CCCOc1ccc(Cc2c(Cl)nc(SC)nc2OC)cc1 ZINC000002286592 564130247 /nfs/dbraw/zinc/13/02/47/564130247.db2.gz OOAUYIWBTNHHMH-UHFFFAOYSA-N 0 0 338.860 4.240 50 0 EIAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000000037336 563212058 /nfs/dbraw/zinc/21/20/58/563212058.db2.gz LXBJYZZMIIFFAG-UHFFFAOYSA-N 0 0 346.386 4.200 50 0 EIAARN O=C(CF)N[C@@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl ZINC000000041260 563212677 /nfs/dbraw/zinc/21/26/77/563212677.db2.gz XBEIDLPEMRIGOJ-CYBMUJFWSA-N 0 0 349.620 4.034 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000042802 563212959 /nfs/dbraw/zinc/21/29/59/563212959.db2.gz LDXWVWBTIBPGSJ-GXTWGEPZSA-N 0 0 341.238 4.175 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)COc2ccccc2C(C)C)c1 ZINC000000045226 563213209 /nfs/dbraw/zinc/21/32/09/563213209.db2.gz WDVZNOBMOMQVBV-UHFFFAOYSA-N 0 0 341.407 4.004 50 0 EIAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)n1 ZINC000000052709 563213451 /nfs/dbraw/zinc/21/34/51/563213451.db2.gz YMRXWUXMCFMJQL-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1 ZINC000000051447 563213457 /nfs/dbraw/zinc/21/34/57/563213457.db2.gz ZWGHHCPOBRCRKP-UHFFFAOYSA-N 0 0 347.490 4.144 50 0 EIAARN Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C4CCCC4)[C@@H]3C2=O)c1 ZINC000000049278 563213480 /nfs/dbraw/zinc/21/34/80/563213480.db2.gz FTDFAQZXFNEJEE-OBMJPTGESA-N 0 0 333.431 4.095 50 0 EIAARN Cc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCCCC2)c1C ZINC000000067772 563214361 /nfs/dbraw/zinc/21/43/61/563214361.db2.gz IMBFFURBOOXTPI-UHFFFAOYSA-N 0 0 342.464 4.243 50 0 EIAARN COc1cc(N2C(=O)CS[C@H]2c2ccccc2)c(OC)cc1Cl ZINC000000067313 563214427 /nfs/dbraw/zinc/21/44/27/563214427.db2.gz AEKBABUVOLGTHL-KRWDZBQOSA-N 0 0 349.839 4.136 50 0 EIAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000000070072 563214801 /nfs/dbraw/zinc/21/48/01/563214801.db2.gz REVGNIDTOSRNDP-OAQYLSRUSA-N 0 0 344.414 4.462 50 0 EIAARN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 ZINC000000068628 563214871 /nfs/dbraw/zinc/21/48/71/563214871.db2.gz MDNVSEYEYSPHSC-UHFFFAOYSA-N 0 0 342.489 4.438 50 0 EIAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 ZINC000000077639 563217510 /nfs/dbraw/zinc/21/75/10/563217510.db2.gz DCERMNHLOSFWMB-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1F ZINC000000077645 563217589 /nfs/dbraw/zinc/21/75/89/563217589.db2.gz LQVVICXWVGCFNC-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN CCOC(=O)c1cccc(Oc2ncnc3sc(C)c(C)c32)c1 ZINC000000091445 563222455 /nfs/dbraw/zinc/22/24/55/563222455.db2.gz KQEVRYWIBBDAMY-UHFFFAOYSA-N 0 0 328.393 4.277 50 0 EIAARN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2N1)OCO3 ZINC000000094857 563223580 /nfs/dbraw/zinc/22/35/80/563223580.db2.gz SVKWAXJFZOFQQH-SECBINFHSA-N 0 0 336.174 4.196 50 0 EIAARN Cc1ccc2nc(C(F)(F)F)n(-c3ccc(Cl)cc3)c(=O)c2c1 ZINC000000098188 563224973 /nfs/dbraw/zinc/22/49/73/563224973.db2.gz ISHMIDJOMDZDKW-UHFFFAOYSA-N 0 0 338.716 4.366 50 0 EIAARN Cc1noc(C)c1C(=O)OCc1ccc(-c2ccc(F)cc2F)o1 ZINC000000110248 563229649 /nfs/dbraw/zinc/22/96/49/563229649.db2.gz ZMYSSYMWEGTWON-UHFFFAOYSA-N 0 0 333.290 4.187 50 0 EIAARN O=C(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)C1CCC1 ZINC000000114400 563231256 /nfs/dbraw/zinc/23/12/56/563231256.db2.gz PGKOGHUSUULVCE-UHFFFAOYSA-N 0 0 341.411 4.479 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 ZINC000000126100 563236593 /nfs/dbraw/zinc/23/65/93/563236593.db2.gz PNQOWLBQRDWOCA-UHFFFAOYSA-N 0 0 347.411 4.195 50 0 EIAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCC2 ZINC000000127233 563236857 /nfs/dbraw/zinc/23/68/57/563236857.db2.gz HBHRYZBFDFNVLP-UHFFFAOYSA-N 0 0 348.855 4.491 50 0 EIAARN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000000133696 563239810 /nfs/dbraw/zinc/23/98/10/563239810.db2.gz OTSIZAQNKAKRIQ-WEVVVXLNSA-N 0 0 331.799 4.318 50 0 EIAARN O=C(NC(=S)Nc1ccc(SC(F)F)cc1)c1cccs1 ZINC000000134697 563240029 /nfs/dbraw/zinc/24/00/29/563240029.db2.gz SHFJLDPXHQDEAL-UHFFFAOYSA-N 0 0 344.433 4.190 50 0 EIAARN COc1cccc(-c2c(OC)cccc2[C@H]2CCCCN(C)C2=O)c1 ZINC000000136418 563240546 /nfs/dbraw/zinc/24/05/46/563240546.db2.gz QMRJPLKYQKRNTO-GOSISDBHSA-N 0 0 339.435 4.097 50 0 EIAARN COc1ccc(C(=O)NCCC2=CCCCC2)cc1Br ZINC000000142051 563242643 /nfs/dbraw/zinc/24/26/43/563242643.db2.gz KWGRQYLAFQVFMB-UHFFFAOYSA-N 0 0 338.245 4.078 50 0 EIAARN O=C(CSc1nccc(-c2cccs2)n1)c1ccc(F)cc1 ZINC000000148195 563245174 /nfs/dbraw/zinc/24/51/74/563245174.db2.gz YCDUUGMBCPACTI-UHFFFAOYSA-N 0 0 330.409 4.319 50 0 EIAARN O=C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000000155194 563247355 /nfs/dbraw/zinc/24/73/55/563247355.db2.gz LFABNOYDEODDFX-UHFFFAOYSA-N 0 0 340.014 4.443 50 0 EIAARN Nc1cccc(C(c2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1 ZINC000000155091 563247418 /nfs/dbraw/zinc/24/74/18/563247418.db2.gz UVUCUHVQYAPMEU-UHFFFAOYSA-N 0 0 334.263 4.262 50 0 EIAARN O=C(NC(=S)Nc1ccc2c3c(cccc31)CC2)c1cccs1 ZINC000000174156 563252688 /nfs/dbraw/zinc/25/26/88/563252688.db2.gz SOTPNLUJQMILMW-UHFFFAOYSA-N 0 0 338.457 4.127 50 0 EIAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2c(c1)OCCO2 ZINC000000181681 563254094 /nfs/dbraw/zinc/25/40/94/563254094.db2.gz PVZQFIAHWTUJCP-UHFFFAOYSA-N 0 0 343.382 4.281 50 0 EIAARN CCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000000184361 563255165 /nfs/dbraw/zinc/25/51/65/563255165.db2.gz VICCECNPIXHWCA-UHFFFAOYSA-N 0 0 345.752 4.065 50 0 EIAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Br)cc1 ZINC000000196527 563257917 /nfs/dbraw/zinc/25/79/17/563257917.db2.gz GXDFCYIUGFHKFJ-AWEZNQCLSA-N 0 0 349.253 4.208 50 0 EIAARN COc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1O ZINC000000197417 563257923 /nfs/dbraw/zinc/25/79/23/563257923.db2.gz AARKQWCTGNOAHP-UHFFFAOYSA-N 0 0 346.430 4.426 50 0 biogenic EIAARN Cc1nc(=O)c(-c2ccccc2)c(C)n1CCc1c[nH]c2ccccc12 ZINC000000199122 563258376 /nfs/dbraw/zinc/25/83/76/563258376.db2.gz ZSZUCINQLCLTJY-UHFFFAOYSA-N 0 0 343.430 4.251 50 0 EIAARN O=C(CNCc1ccco1)N1c2ccccc2Sc2ccccc21 ZINC000000200071 563258750 /nfs/dbraw/zinc/25/87/50/563258750.db2.gz DOUHTDLISGTWIG-UHFFFAOYSA-N 0 0 336.416 4.199 50 0 EIAARN Cc1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1C ZINC000000206734 563259754 /nfs/dbraw/zinc/25/97/54/563259754.db2.gz DKWXITJDTVTICD-UHFFFAOYSA-N 0 0 327.383 4.356 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccco1 ZINC000000243071 563265223 /nfs/dbraw/zinc/26/52/23/563265223.db2.gz MFTZJKMJSBSQII-UHFFFAOYSA-N 0 0 330.727 4.031 50 0 EIAARN COc1ccc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)cc1 ZINC000000245319 563265790 /nfs/dbraw/zinc/26/57/90/563265790.db2.gz MYOLMMFNOOVYLX-UHFFFAOYSA-N 0 0 345.354 4.288 50 0 EIAARN O=C(Nc1nc2ccccc2s1)c1cccc(Br)c1 ZINC000000253225 563266897 /nfs/dbraw/zinc/26/68/97/563266897.db2.gz HNSMZZRBTBEMOV-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN c1csc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)c1 ZINC000000256979 563267463 /nfs/dbraw/zinc/26/74/63/563267463.db2.gz PMETYXBQUNKSFZ-UHFFFAOYSA-N 0 0 326.450 4.336 50 0 EIAARN CC(=O)Nc1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000280772 563271887 /nfs/dbraw/zinc/27/18/87/563271887.db2.gz QNHSIWHYHPYDSF-UHFFFAOYSA-N 0 0 338.436 4.272 50 0 EIAARN Cc1nnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 ZINC000000291593 563273973 /nfs/dbraw/zinc/27/39/73/563273973.db2.gz GCDOUWBECPFKDT-OAHLLOKOSA-N 0 0 341.461 4.319 50 0 EIAARN COc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(OC)cc1Cl ZINC000000294364 563274153 /nfs/dbraw/zinc/27/41/53/563274153.db2.gz AJALOVWJXGIFRK-OLZOCXBDSA-N 0 0 331.799 4.099 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1Cl ZINC000000310030 563280320 /nfs/dbraw/zinc/28/03/20/563280320.db2.gz YBNKRQQKWVOPSM-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN O=C(Oc1cccc(OC(=O)c2cccs2)c1)c1cccs1 ZINC000000323545 563284379 /nfs/dbraw/zinc/28/43/79/563284379.db2.gz ZNDFKSQRSUZJKH-UHFFFAOYSA-N 0 0 330.386 4.248 50 0 EIAARN Cc1cc(OCc2nc(-c3ccccc3)no2)ccc1Br ZINC000000341669 563286584 /nfs/dbraw/zinc/28/65/84/563286584.db2.gz ILCWLWRQGGVYEA-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN Cc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl ZINC000000342112 563286976 /nfs/dbraw/zinc/28/69/76/563286976.db2.gz YXRLCXOMJWSAHM-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN Cc1csc(C2N(O)c3ccccc3-c3ccccc3N2O)n1 ZINC000000344305 563287366 /nfs/dbraw/zinc/28/73/66/563287366.db2.gz ZNYUGCBYQFRCQT-UHFFFAOYSA-N 0 0 325.393 4.222 50 0 EIAARN CSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1)Nc1ccccc1-2 ZINC000000345001 563287678 /nfs/dbraw/zinc/28/76/78/563287678.db2.gz XEQUSMSJTVQARW-LPQFERQCSA-N 0 0 348.431 4.104 50 0 EIAARN Cc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 ZINC000000344916 563287711 /nfs/dbraw/zinc/28/77/11/563287711.db2.gz BVDLBRFXKHVUIO-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CC1(C)[C@@]2(C(=O)Nc3ccc(Cl)cc3Cl)CC[C@]1(C)C(=O)O2 ZINC000000351936 563289821 /nfs/dbraw/zinc/28/98/21/563289821.db2.gz NTOYAIOKEQADKS-CVEARBPZSA-N 0 0 342.222 4.054 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1cccs1)CCCCC2 ZINC000000355507 563290822 /nfs/dbraw/zinc/29/08/22/563290822.db2.gz YREVSARCCBNWOH-UHFFFAOYSA-N 0 0 335.450 4.117 50 0 EIAARN COc1ccc(C(=O)Oc2ccc(Br)cc2Cl)cc1 ZINC000000358980 563292296 /nfs/dbraw/zinc/29/22/96/563292296.db2.gz KYNPLYJPRYGKIY-UHFFFAOYSA-N 0 0 341.588 4.330 50 0 EIAARN CCc1ccc(CNn2cnnc2SCc2ccc(F)cc2)cc1 ZINC000000359910 563292960 /nfs/dbraw/zinc/29/29/60/563292960.db2.gz SJDJJFCHJXGGKC-UHFFFAOYSA-N 0 0 342.443 4.016 50 0 EIAARN Clc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000000360602 563293349 /nfs/dbraw/zinc/29/33/49/563293349.db2.gz DGVCVHLWHNKPGJ-UHFFFAOYSA-N 0 0 337.250 4.442 50 0 EIAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000364217 563295405 /nfs/dbraw/zinc/29/54/05/563295405.db2.gz CGYJAPKDNYDGIP-CQSZACIVSA-N 0 0 325.408 4.356 50 0 EIAARN O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)C1CCCCC1 ZINC000000367709 563296763 /nfs/dbraw/zinc/29/67/63/563296763.db2.gz GJWXQJNEIIRATG-UHFFFAOYSA-N 0 0 348.402 4.374 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)N2CCCc3ccccc32)ccc1Cl ZINC000000371530 563297371 /nfs/dbraw/zinc/29/73/71/563297371.db2.gz ITZYZMWYWBQTEI-AWEZNQCLSA-N 0 0 329.827 4.395 50 0 EIAARN O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccccc1Cl ZINC000000374251 563298545 /nfs/dbraw/zinc/29/85/45/563298545.db2.gz ZSOJZTKBELQEOM-UHFFFAOYSA-N 0 0 343.736 4.071 50 0 EIAARN COc1ccc(OC)c(NC(=O)/C=C/c2c(F)cccc2Cl)c1 ZINC000000375453 563298734 /nfs/dbraw/zinc/29/87/34/563298734.db2.gz SETFHXISVXZZTI-VQHVLOKHSA-N 0 0 335.762 4.148 50 0 EIAARN Cc1ccc(-c2nnc3sc(Cc4ccccc4Cl)nn32)cc1 ZINC000000385041 563301524 /nfs/dbraw/zinc/30/15/24/563301524.db2.gz UCLZDDWQZJDMLB-UHFFFAOYSA-N 0 0 340.839 4.405 50 0 EIAARN CCOc1ccc(C2=Nc3nc(C)nn3[C@H](c3ccccc3)C2)cc1 ZINC000000389003 563303807 /nfs/dbraw/zinc/30/38/07/563303807.db2.gz ABDKPONOWYZEKS-IBGZPJMESA-N 0 0 332.407 4.041 50 0 EIAARN Cc1ccccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000408272 563307676 /nfs/dbraw/zinc/30/76/76/563307676.db2.gz LJWMAABKXDMCJU-UHFFFAOYSA-N 0 0 345.899 4.167 50 0 EIAARN COc1ccc(-c2nnc(SCc3ccc(C)cc3)o2)c(OC)c1 ZINC000000415468 563308749 /nfs/dbraw/zinc/30/87/49/563308749.db2.gz LMPWTIYIPFKEGG-UHFFFAOYSA-N 0 0 342.420 4.355 50 0 EIAARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000000423612 563309377 /nfs/dbraw/zinc/30/93/77/563309377.db2.gz PGNUFECXMJIBPO-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN COc1ccc(-n2ncc3c2ncnc3Nc2cccc(C)c2C)cc1 ZINC000000426373 563310123 /nfs/dbraw/zinc/31/01/23/563310123.db2.gz PIZKBNOWFPUPMM-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000000426487 563310616 /nfs/dbraw/zinc/31/06/16/563310616.db2.gz DTCXRHJKKJDRFW-UHFFFAOYSA-N 0 0 349.825 4.389 50 0 EIAARN Cc1sc(NC(=O)c2cccc(F)c2)c(C(=O)OC(C)C)c1C ZINC000000433986 563312192 /nfs/dbraw/zinc/31/21/92/563312192.db2.gz WEEVLNBGWFOQDN-UHFFFAOYSA-N 0 0 335.400 4.322 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccccc1NC(=O)/C=C/c1ccco1 ZINC000000438087 563313272 /nfs/dbraw/zinc/31/32/72/563313272.db2.gz MJODVAOBVHVUME-WGDLNXRISA-N 0 0 348.358 4.176 50 0 EIAARN O=C(COc1ccc2ccccc2c1)NCc1ccccc1Cl ZINC000000442929 563314814 /nfs/dbraw/zinc/31/48/14/563314814.db2.gz YTGPQJVHLURERW-UHFFFAOYSA-N 0 0 325.795 4.188 50 0 EIAARN COc1cccc2cc(C(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc21 ZINC000000450722 563319768 /nfs/dbraw/zinc/31/97/68/563319768.db2.gz UUXYSYKYRFNEOE-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN CC[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)cc1Cl ZINC000000452394 563321421 /nfs/dbraw/zinc/32/14/21/563321421.db2.gz KOBHQSPHTPFPTQ-NSHDSACASA-N 0 0 336.284 4.255 50 0 EIAARN CCCN(CCC)S(=O)(=O)c1ccc(OCC)c2ccccc21 ZINC000000453660 563322311 /nfs/dbraw/zinc/32/23/11/563322311.db2.gz AOTMBIXUVDNKMP-UHFFFAOYSA-N 0 0 335.469 4.049 50 0 EIAARN O=C(C[C@@H](c1ccccc1)c1ccccc1O)NCc1ccccc1 ZINC000000454782 563323329 /nfs/dbraw/zinc/32/33/29/563323329.db2.gz LECPPUWLQNRGJR-FQEVSTJZSA-N 0 0 331.415 4.231 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1C ZINC000000455615 563323922 /nfs/dbraw/zinc/32/39/22/563323922.db2.gz LQWZKSQGXLNDQJ-UXBLZVDNSA-N 0 0 344.867 4.483 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000000456632 563324184 /nfs/dbraw/zinc/32/41/84/563324184.db2.gz COKMTGXIRZKIFY-UHFFFAOYSA-N 0 0 338.190 4.422 50 0 EIAARN COc1ccc2c(=O)c(-c3ccccc3Cl)c(C)oc2c1OC ZINC000000457492 563324805 /nfs/dbraw/zinc/32/48/05/563324805.db2.gz WKLHCGYNSRUAMY-UHFFFAOYSA-N 0 0 330.767 4.439 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000000465257 563328101 /nfs/dbraw/zinc/32/81/01/563328101.db2.gz VBYYBXDZKLOTCZ-QMMMGPOBSA-N 0 0 345.613 4.448 50 0 EIAARN COc1cc(NC(=O)c2c(Cl)cccc2Cl)cc(OC)c1 ZINC000000466903 563328777 /nfs/dbraw/zinc/32/87/77/563328777.db2.gz YGAXVZFBSLMJEZ-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN O=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000000467746 563329430 /nfs/dbraw/zinc/32/94/30/563329430.db2.gz ZENAYAFFTGEHLU-UHFFFAOYSA-N 0 0 325.589 4.494 50 0 EIAARN CC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000000468880 563330072 /nfs/dbraw/zinc/33/00/72/563330072.db2.gz CQZBOIGZCJPPOL-UHFFFAOYSA-N 0 0 333.840 4.415 50 0 EIAARN Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000000468558 563330080 /nfs/dbraw/zinc/33/00/80/563330080.db2.gz YVGNCJAUWRIDLU-UHFFFAOYSA-N 0 0 343.839 4.111 50 0 EIAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCc2ccccc21 ZINC000000469829 563330682 /nfs/dbraw/zinc/33/06/82/563330682.db2.gz XMZSTNCQKGKKCX-UHFFFAOYSA-N 0 0 341.476 4.486 50 0 EIAARN COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2s1 ZINC000000471119 563331511 /nfs/dbraw/zinc/33/15/11/563331511.db2.gz SQNSTYNLDOUXIB-UHFFFAOYSA-N 0 0 344.461 4.344 50 0 EIAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccccc1F ZINC000000475550 563333802 /nfs/dbraw/zinc/33/38/02/563333802.db2.gz PZQJZWBUVWNMDY-UHFFFAOYSA-N 0 0 334.322 4.480 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000000475805 563334182 /nfs/dbraw/zinc/33/41/82/563334182.db2.gz VEUMDLHPRIVMAS-OAHLLOKOSA-N 0 0 327.424 4.221 50 0 EIAARN Cc1cnn(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)c1 ZINC000000477205 563335058 /nfs/dbraw/zinc/33/50/58/563335058.db2.gz GTFKGYVXTXJAFA-UHFFFAOYSA-N 0 0 348.793 4.144 50 0 EIAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccncc2)c2ccccc2)cc1 ZINC000000482461 563337151 /nfs/dbraw/zinc/33/71/51/563337151.db2.gz CETSBWLJAFNWFN-HXUWFJFHSA-N 0 0 331.371 4.171 50 0 EIAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000000503106 563339036 /nfs/dbraw/zinc/33/90/36/563339036.db2.gz JGJBVJUNVYXMKT-GQCTYLIASA-N 0 0 341.219 4.113 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCCCC3)cc12 ZINC000000534316 563343508 /nfs/dbraw/zinc/34/35/08/563343508.db2.gz MDGOXQUIAFCDAN-UHFFFAOYSA-N 0 0 339.464 4.412 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CCCC3)cc12 ZINC000000545347 563344531 /nfs/dbraw/zinc/34/45/31/563344531.db2.gz GIKCFZPZBAYYOX-UHFFFAOYSA-N 0 0 325.437 4.068 50 0 EIAARN CC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000000561052 563347399 /nfs/dbraw/zinc/34/73/99/563347399.db2.gz AGBVJYSYMBJSGW-UHFFFAOYSA-N 0 0 339.778 4.301 50 0 EIAARN Cc1ccc(/C=C/C(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1 ZINC000000586886 563351806 /nfs/dbraw/zinc/35/18/06/563351806.db2.gz LYLRMPBQEVOSPY-MDZDMXLPSA-N 0 0 338.476 4.447 50 0 EIAARN COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1OC ZINC000000610278 563353498 /nfs/dbraw/zinc/35/34/98/563353498.db2.gz NJBYHKDORQODGK-UHFFFAOYSA-N 0 0 340.301 4.367 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(C(C)=O)c2)cc1 ZINC000000611269 563354313 /nfs/dbraw/zinc/35/43/13/563354313.db2.gz NDGDHTINJWGVGJ-CYBMUJFWSA-N 0 0 342.464 4.336 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000000617063 563358816 /nfs/dbraw/zinc/35/88/16/563358816.db2.gz LTWKYQOKFBYEAD-OAHLLOKOSA-N 0 0 345.468 4.382 50 0 EIAARN COc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1 ZINC000000617186 563359166 /nfs/dbraw/zinc/35/91/66/563359166.db2.gz VDKOKTMDMMDAON-UHFFFAOYSA-N 0 0 333.796 4.465 50 0 EIAARN CCOC(=O)c1cc(NC(=O)Nc2ccccc2Cl)c(C)nc1C ZINC000000618018 563359863 /nfs/dbraw/zinc/35/98/63/563359863.db2.gz XVBMURIBSOBWOD-UHFFFAOYSA-N 0 0 347.802 4.173 50 0 EIAARN CCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000000618011 563359891 /nfs/dbraw/zinc/35/98/91/563359891.db2.gz QOQSWUUGTJDDSH-UHFFFAOYSA-N 0 0 338.190 4.422 50 0 EIAARN C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000000620413 563361641 /nfs/dbraw/zinc/36/16/41/563361641.db2.gz TWERYHRCEGDWKB-BLLLJJGKSA-N 0 0 347.336 4.389 50 0 EIAARN C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000000620414 563361693 /nfs/dbraw/zinc/36/16/93/563361693.db2.gz TWERYHRCEGDWKB-MLGOLLRUSA-N 0 0 347.336 4.389 50 0 EIAARN O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccccc1Cl ZINC000000804768 563363736 /nfs/dbraw/zinc/36/37/36/563363736.db2.gz CNROUHIFGHGJLI-UHFFFAOYSA-N 0 0 349.799 4.104 50 0 EIAARN O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(Cl)cc1 ZINC000000984140 563367086 /nfs/dbraw/zinc/36/70/86/563367086.db2.gz QRZNWMVNALJGGU-UHFFFAOYSA-N 0 0 329.808 4.202 50 0 EIAARN Cc1cc(C)n(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 ZINC000000985497 563367404 /nfs/dbraw/zinc/36/74/04/563367404.db2.gz KNJNCDLEQFQEJB-UHFFFAOYSA-N 0 0 327.391 4.008 50 0 EIAARN Cc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)n1 ZINC000001008628 563368384 /nfs/dbraw/zinc/36/83/84/563368384.db2.gz RRDSLQLMVIKMJR-OQLLNIDSSA-N 0 0 344.823 4.280 50 0 EIAARN Fc1cccc(-c2nnc3sc(Cc4cccc(Cl)c4)nn32)c1 ZINC000001018187 563368683 /nfs/dbraw/zinc/36/86/83/563368683.db2.gz NPEIOKPDGUKLPM-UHFFFAOYSA-N 0 0 344.802 4.236 50 0 EIAARN Cc1ccccc1N1C(=O)c2cccc3c2c(ccc3N(C)C)C1=O ZINC000001020712 563369403 /nfs/dbraw/zinc/36/94/03/563369403.db2.gz MSOSFFAADXKEHO-UHFFFAOYSA-N 0 0 330.387 4.015 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)s1 ZINC000001054261 563370827 /nfs/dbraw/zinc/37/08/27/563370827.db2.gz VSOIQYGPNDWVAW-UHFFFAOYSA-N 0 0 343.271 4.098 50 0 EIAARN COc1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1 ZINC000001059405 563371924 /nfs/dbraw/zinc/37/19/24/563371924.db2.gz MJXFXCKPLRKAOP-UHFFFAOYSA-N 0 0 342.420 4.344 50 0 EIAARN O=C(OCc1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000001074574 563373584 /nfs/dbraw/zinc/37/35/84/563373584.db2.gz XEFRWTLWWFKGGU-UHFFFAOYSA-N 0 0 334.346 4.414 50 0 EIAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)CC2=O ZINC000001135305 563375940 /nfs/dbraw/zinc/37/59/40/563375940.db2.gz MHXKZCNHVYKVPQ-FXLVCCLPSA-N 0 0 331.500 4.199 50 0 biogenic EIAARN COc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001165126 563376964 /nfs/dbraw/zinc/37/69/64/563376964.db2.gz HVUKOKZXRBXULU-UHFFFAOYSA-N 0 0 339.174 4.042 50 0 EIAARN Cc1ccc(C)c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000001376112 563384354 /nfs/dbraw/zinc/38/43/54/563384354.db2.gz ODYHSRUYWURXDP-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN CC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)n1-c1ccccc1 ZINC000001440327 563389157 /nfs/dbraw/zinc/38/91/57/563389157.db2.gz PJJLCCQEKCTRRH-CQSZACIVSA-N 0 0 338.436 4.081 50 0 EIAARN c1ccc(Cn2c3ccccc3n3c(Nc4ccccc4)nnc23)cc1 ZINC000001433018 563389248 /nfs/dbraw/zinc/38/92/48/563389248.db2.gz JQWKAHIHKSUWSH-UHFFFAOYSA-N 0 0 339.402 4.476 50 0 EIAARN COc1ccc(Nc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000001830098 563413785 /nfs/dbraw/zinc/41/37/85/563413785.db2.gz UTHOAQNMUUCAAM-UHFFFAOYSA-N 0 0 328.375 4.444 50 0 EIAARN CCCC[C@H](CC)c1nnc(NC(=O)COc2ccccc2)s1 ZINC000002070616 563421343 /nfs/dbraw/zinc/42/13/43/563421343.db2.gz NBPPZKDRAQRHJM-ZDUSSCGKSA-N 0 0 333.457 4.239 50 0 EIAARN Cc1ccc(C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000002079309 563421725 /nfs/dbraw/zinc/42/17/25/563421725.db2.gz USPMNARKUQMTKJ-UHFFFAOYSA-N 0 0 331.220 4.378 50 0 EIAARN CN(C(=S)NC(=O)c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000002136804 563423363 /nfs/dbraw/zinc/42/33/63/563423363.db2.gz SSENFVQTMPFEBP-UHFFFAOYSA-N 0 0 345.295 4.273 50 0 EIAARN Cc1ccccc1C(=O)N1N=C(Nc2ccccc2)SC1(C)C ZINC000002157120 563424380 /nfs/dbraw/zinc/42/43/80/563424380.db2.gz OJKRCDAVAIKJBQ-UHFFFAOYSA-N 0 0 325.437 4.303 50 0 EIAARN CCCCOc1c(Cl)cc(/C=C2\N=C(C)OC2=O)cc1OCC ZINC000002160022 563424812 /nfs/dbraw/zinc/42/48/12/563424812.db2.gz DZXGNRKHDVQWCH-ZROIWOOFSA-N 0 0 337.803 4.234 50 0 EIAARN c1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 ZINC000002359602 563430540 /nfs/dbraw/zinc/43/05/40/563430540.db2.gz RNPLJWJQNYNICD-UHFFFAOYSA-N 0 0 345.431 4.017 50 0 EIAARN O=C(c1cccc(I)c1)c1ccccc1Cl ZINC000002392538 563431291 /nfs/dbraw/zinc/43/12/91/563431291.db2.gz HXKNAKJVJIRYRY-UHFFFAOYSA-N 0 0 342.563 4.176 50 0 EIAARN O=C(c1ccc(Cl)cc1)c1ccccc1I ZINC000002392537 563431308 /nfs/dbraw/zinc/43/13/08/563431308.db2.gz SIZXQQBPUBGFCC-UHFFFAOYSA-N 0 0 342.563 4.176 50 0 EIAARN CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000002499141 563434540 /nfs/dbraw/zinc/43/45/40/563434540.db2.gz FHQCHFPLLBVKLE-CQSZACIVSA-N 0 0 343.398 4.332 50 0 EIAARN O=C(c1cccc(CN2CCSCC2)c1)c1ccccc1Cl ZINC000002515297 563436367 /nfs/dbraw/zinc/43/63/67/563436367.db2.gz QFFCLSAZAPATOC-UHFFFAOYSA-N 0 0 331.868 4.120 50 0 EIAARN CCOC(=O)CCCCCCC(=O)c1ccccc1CN1CC=CC1 ZINC000002516311 563437137 /nfs/dbraw/zinc/43/71/37/563437137.db2.gz SQQXLXVGBLOOGL-UHFFFAOYSA-N 0 0 343.467 4.145 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 ZINC000002620910 563444408 /nfs/dbraw/zinc/44/44/08/563444408.db2.gz WJCJDOBEGGEICY-UHFFFAOYSA-N 0 0 331.371 4.264 50 0 EIAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000002635975 563444915 /nfs/dbraw/zinc/44/49/15/563444915.db2.gz AJLZIJWYNLJUGS-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN CCN(CC)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 ZINC000002736272 563447702 /nfs/dbraw/zinc/44/77/02/563447702.db2.gz ZKMTXJAXEFVYCY-UHFFFAOYSA-N 0 0 326.440 4.113 50 0 EIAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCCC1 ZINC000002748299 563448436 /nfs/dbraw/zinc/44/84/36/563448436.db2.gz OPCSYQRURODRAT-UHFFFAOYSA-N 0 0 329.421 4.330 50 0 EIAARN CC(C)OC(=O)NC(C)(C)COC(=O)Nc1cccc2ccccc21 ZINC000002819949 563452582 /nfs/dbraw/zinc/45/25/82/563452582.db2.gz WDGBIRNWQGFDAK-UHFFFAOYSA-N 0 0 344.411 4.302 50 0 EIAARN CC(C)(C)c1ccc(OCCNC(=O)c2cccc(Cl)c2)cc1 ZINC000002839053 563454349 /nfs/dbraw/zinc/45/43/49/563454349.db2.gz YAQGNDMEVCDNLY-UHFFFAOYSA-N 0 0 331.843 4.446 50 0 EIAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cccc(F)c1 ZINC000002850014 563455652 /nfs/dbraw/zinc/45/56/52/563455652.db2.gz FJVCLMSUOJKATD-VGOFMYFVSA-N 0 0 336.149 4.477 50 0 EIAARN COc1ccccc1NC(=O)c1cccnc1Nc1ccc(F)cc1 ZINC000002866246 563458022 /nfs/dbraw/zinc/45/80/22/563458022.db2.gz XVCVRIINMBDENS-UHFFFAOYSA-N 0 0 337.354 4.225 50 0 EIAARN CCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 ZINC000002875224 563459769 /nfs/dbraw/zinc/45/97/69/563459769.db2.gz PWGIOIUKSLMROR-UHFFFAOYSA-N 0 0 349.433 4.270 50 0 EIAARN CC(C)OCCCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002877589 563460044 /nfs/dbraw/zinc/46/00/44/563460044.db2.gz JMZVKXXBVQCBSM-UHFFFAOYSA-N 0 0 348.270 4.084 50 0 EIAARN CC(C)OCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002877783 563460088 /nfs/dbraw/zinc/46/00/88/563460088.db2.gz FGIUWGXAQLGKCC-UHFFFAOYSA-N 0 0 348.446 4.447 50 0 EIAARN COc1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002887341 563461789 /nfs/dbraw/zinc/46/17/89/563461789.db2.gz QIOOUKULSZKZTR-UHFFFAOYSA-N 0 0 325.195 4.324 50 0 EIAARN COc1ccc(C2=NNC(c3ccccc3)=Nc3ccccc32)cc1 ZINC000002901668 563462833 /nfs/dbraw/zinc/46/28/33/563462833.db2.gz PYNNYOQJFUANST-UHFFFAOYSA-N 0 0 327.387 4.129 50 0 EIAARN O=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1F ZINC000002940431 563463913 /nfs/dbraw/zinc/46/39/13/563463913.db2.gz PVFOAANMPYRWGW-UHFFFAOYSA-N 0 0 334.350 4.330 50 0 EIAARN COc1ccc(OCCOCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000002984023 563466228 /nfs/dbraw/zinc/46/62/28/563466228.db2.gz MOYKQSLQEPQMSN-UHFFFAOYSA-N 0 0 344.451 4.467 50 0 EIAARN Cc1ccc(OCCOCCOc2cccc3cccnc32)cc1C ZINC000002991169 563468181 /nfs/dbraw/zinc/46/81/81/563468181.db2.gz WDNGPSCFLFOSMN-UHFFFAOYSA-N 0 0 337.419 4.326 50 0 EIAARN CC(=O)c1cccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)c1 ZINC000003005118 563469558 /nfs/dbraw/zinc/46/95/58/563469558.db2.gz BXJHVPSBFHLQBP-QGZVFWFLSA-N 0 0 348.229 4.343 50 0 EIAARN O=S(=O)(c1ccc(-c2ncc(-c3ccccc3)o2)cc1)C(F)F ZINC000003129920 563473443 /nfs/dbraw/zinc/47/34/43/563473443.db2.gz JOBLWLIITVPQRO-UHFFFAOYSA-N 0 0 335.331 4.005 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(O)cc2)on1 ZINC000003907786 563491036 /nfs/dbraw/zinc/49/10/36/563491036.db2.gz UWJJQJKYLTYOLE-UHFFFAOYSA-N 0 0 348.280 4.318 50 0 EIAARN CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cccc(Cl)c1Cl ZINC000584904302 563493493 /nfs/dbraw/zinc/49/34/93/563493493.db2.gz UKSJJGUEFDJHHY-KBRIMQKVSA-N 0 0 342.266 4.208 50 0 EIAARN O[C@](c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl ZINC000004099030 563494415 /nfs/dbraw/zinc/49/44/15/563494415.db2.gz NHOWDZOIZKMVAI-QGZVFWFLSA-N 0 0 331.202 4.068 50 0 endogenous,in-man EIAARN CCCCc1c(O)c(C(=O)c2ccccc2)c(-c2ccccc2)[nH]c1=O ZINC000004114594 563494962 /nfs/dbraw/zinc/49/49/62/563494962.db2.gz LJIZZQOSBQDGNC-UHFFFAOYSA-N 0 0 347.414 4.321 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000004163713 563496469 /nfs/dbraw/zinc/49/64/69/563496469.db2.gz YEYYJUMXSKRGJJ-UHFFFAOYSA-N 0 0 326.783 4.260 50 0 EIAARN O=C1C[C@@H](c2ccccc2)Sc2nc(-c3ccc(Cl)cc3)nn21 ZINC000004268656 563498731 /nfs/dbraw/zinc/49/87/31/563498731.db2.gz DVDBHNUIXBPZFX-AWEZNQCLSA-N 0 0 341.823 4.476 50 0 EIAARN O=C(OCCSc1ccc(Cl)cn1)c1cccc(Cl)c1 ZINC000004300702 563499382 /nfs/dbraw/zinc/49/93/82/563499382.db2.gz YAWPWXHAXUQHHA-UHFFFAOYSA-N 0 0 328.220 4.338 50 0 EIAARN O=[S@@](NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1 ZINC000004293920 563499391 /nfs/dbraw/zinc/49/93/91/563499391.db2.gz OBXHPMFEIMRIAU-CBMNVYQQSA-N 0 0 325.477 4.421 50 0 EIAARN Cc1cnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)s1 ZINC000010556953 563500327 /nfs/dbraw/zinc/50/03/27/563500327.db2.gz CYWKBJBMOZTBOS-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN COc1ccc(CCNC(=O)[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1OC ZINC000004350083 563501136 /nfs/dbraw/zinc/50/11/36/563501136.db2.gz UAUBDALLXPVFIX-NJAFHUGGSA-N 0 0 347.499 4.071 50 0 EIAARN Clc1ccccc1/C=C/c1nn2c(nnc2-c2cccnc2)s1 ZINC000004540203 563504677 /nfs/dbraw/zinc/50/46/77/563504677.db2.gz KXGCGIOSHLQCSZ-BQYQJAHWSA-N 0 0 339.811 4.072 50 0 EIAARN COc1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)cc1 ZINC000004589837 563505799 /nfs/dbraw/zinc/50/57/99/563505799.db2.gz VKNILLMIDSQITM-UYRXBGFRSA-N 0 0 329.355 4.193 50 0 EIAARN Cc1cccnc1N(C(=O)c1cccs1)C(=O)c1cccs1 ZINC000004600456 563505823 /nfs/dbraw/zinc/50/58/23/563505823.db2.gz ITPLFIQEXPWRFY-UHFFFAOYSA-N 0 0 328.418 4.000 50 0 EIAARN CCCCc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000004616403 563506043 /nfs/dbraw/zinc/50/60/43/563506043.db2.gz MZEJXZUOGZZVDN-UHFFFAOYSA-N 0 0 327.424 4.228 50 0 biogenic EIAARN C[C@H](NC(=S)Nc1ccccc1)c1ccc(Br)cc1 ZINC000004619706 563506153 /nfs/dbraw/zinc/50/61/53/563506153.db2.gz QFOOMDSCOQUQNB-NSHDSACASA-N 0 0 335.270 4.497 50 0 EIAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000004649105 563506512 /nfs/dbraw/zinc/50/65/12/563506512.db2.gz REXSYRPKOZBRIU-UHFFFAOYSA-N 0 0 340.423 4.466 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000004666310 563507260 /nfs/dbraw/zinc/50/72/60/563507260.db2.gz LUQNBQSNCJGCMS-ZDUSSCGKSA-N 0 0 343.423 4.478 50 0 EIAARN Fc1ccccc1[C@H]1CC(C23CC4CC(CC(C4)C2)C3)=NC(=S)N1 ZINC000004670991 563507747 /nfs/dbraw/zinc/50/77/47/563507747.db2.gz UPKAHAZHIKRGTE-ANCGMVAHSA-N 0 0 342.483 4.445 50 0 EIAARN Cc1cc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)no1 ZINC000004750063 563510395 /nfs/dbraw/zinc/51/03/95/563510395.db2.gz LXQRKLCMRBEWNY-UHFFFAOYSA-N 0 0 343.452 4.160 50 0 EIAARN Cc1sc(NC(=O)c2cc3c(s2)CCCCC3)c(C(N)=O)c1C ZINC000004802628 563511277 /nfs/dbraw/zinc/51/12/77/563511277.db2.gz VVMDCILPAVQECQ-UHFFFAOYSA-N 0 0 348.493 4.047 50 0 EIAARN O=S(=O)(Cc1ccccc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000004814463 563511976 /nfs/dbraw/zinc/51/19/76/563511976.db2.gz AGINNYOJNFCYQG-UHFFFAOYSA-N 0 0 334.199 4.074 50 0 EIAARN COc1ccccc1[C@H]1Nc2scc(-c3ccccc3)c2C(=O)N1 ZINC000004814043 563512049 /nfs/dbraw/zinc/51/20/49/563512049.db2.gz QYIQVVUHXGXINL-QGZVFWFLSA-N 0 0 336.416 4.278 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1 ZINC000004840190 563512731 /nfs/dbraw/zinc/51/27/31/563512731.db2.gz XAGXWRFEDFUBLN-LBPRGKRZSA-N 0 0 334.213 4.164 50 0 EIAARN O=Cc1cn(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc12 ZINC000004841211 563512858 /nfs/dbraw/zinc/51/28/58/563512858.db2.gz JFZCXNLVZJATAM-UHFFFAOYSA-N 0 0 347.201 4.399 50 0 EIAARN COc1cccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)c1 ZINC000004855354 563513917 /nfs/dbraw/zinc/51/39/17/563513917.db2.gz YSNWOAFKKNKECU-UHFFFAOYSA-N 0 0 349.434 4.118 50 0 EIAARN CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000004869147 563514232 /nfs/dbraw/zinc/51/42/32/563514232.db2.gz WVXHKWZALCYNKK-UHFFFAOYSA-N 0 0 335.812 4.085 50 0 EIAARN CCC(=O)N1c2ccc(C)cc2[C@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000004992863 563517834 /nfs/dbraw/zinc/51/78/34/563517834.db2.gz FMYJZUSFKVVZIP-DNVCBOLYSA-N 0 0 337.419 4.428 50 0 EIAARN CCOC(=O)C1CCN(c2cc(C)c3cc(SC)ccc3n2)CC1 ZINC000004997161 563518132 /nfs/dbraw/zinc/51/81/32/563518132.db2.gz ZZXONWWMNSLRJM-UHFFFAOYSA-N 0 0 344.480 4.045 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000005028115 563519412 /nfs/dbraw/zinc/51/94/12/563519412.db2.gz BESJGHIAONTJHR-BUBBNXEVSA-N 0 0 343.467 4.097 50 0 EIAARN Cc1ccc(OCCOc2ccc(Br)cc2C=O)cc1C ZINC000005051006 563520111 /nfs/dbraw/zinc/52/01/11/563520111.db2.gz PPLBNGYCPUUNIU-UHFFFAOYSA-N 0 0 349.224 4.336 50 0 EIAARN CC[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000005055395 563520142 /nfs/dbraw/zinc/52/01/42/563520142.db2.gz YLTYCWUXDOQHHB-FGZHOGPDSA-N 0 0 346.474 4.409 50 0 EIAARN C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)ON1C ZINC000005211792 563522865 /nfs/dbraw/zinc/52/28/65/563522865.db2.gz LJAMJJBEGUHOSV-GUYCJALGSA-N 0 0 345.830 4.138 50 0 EIAARN Cc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)n1 ZINC000005520659 563536566 /nfs/dbraw/zinc/53/65/66/563536566.db2.gz AIIYXIGIHQOWFB-UHFFFAOYSA-N 0 0 340.386 4.253 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000005588121 563541514 /nfs/dbraw/zinc/54/15/14/563541514.db2.gz HQCFXNFYPHXTSZ-UHFFFAOYSA-N 0 0 338.354 4.141 50 0 EIAARN COc1ccc(C2N=NC(=S)N2c2ccc(F)c(Cl)c2)cc1 ZINC000005796183 563550754 /nfs/dbraw/zinc/55/07/54/563550754.db2.gz FKIDMRMLXQSYNX-UHFFFAOYSA-N 0 0 335.791 4.024 50 0 EIAARN COC(=O)Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000006179523 563560402 /nfs/dbraw/zinc/56/04/02/563560402.db2.gz FAEJKHHYGVHMHO-UHFFFAOYSA-N 0 0 345.704 4.262 50 0 EIAARN S=C1N=NC(c2c[nH]c3ccccc32)N1c1ccc(Cl)cc1 ZINC000006191239 563561020 /nfs/dbraw/zinc/56/10/20/563561020.db2.gz SVOHLGWQXSNIGO-UHFFFAOYSA-N 0 0 326.812 4.358 50 0 EIAARN CC(C)COc1ccc(C2N=NC(=S)N2c2ccccc2)cc1 ZINC000006213946 563561236 /nfs/dbraw/zinc/56/12/36/563561236.db2.gz KPKZZNORBQLNMO-UHFFFAOYSA-N 0 0 325.437 4.258 50 0 EIAARN CCc1ccc(OCC2N=NC(=S)N2[C@@H](C)c2ccccc2)cc1 ZINC000006343516 563565584 /nfs/dbraw/zinc/56/55/84/563565584.db2.gz IBSFSHXLBJKTIU-AWEZNQCLSA-N 0 0 339.464 4.318 50 0 EIAARN CC[C@H](C)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000071909320 563573204 /nfs/dbraw/zinc/57/32/04/563573204.db2.gz HQHOZSKAEILDHA-NPMXOYFQSA-N 0 0 329.465 4.120 50 0 EIAARN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1 ZINC000071909588 563575143 /nfs/dbraw/zinc/57/51/43/563575143.db2.gz APZUUUGOTGMTGT-MYYSRTQBSA-N 0 0 348.512 4.212 50 0 EIAARN CN(C)c1ccccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000071910908 563576717 /nfs/dbraw/zinc/57/67/17/563576717.db2.gz HTQJPVVFXXXCAN-UHFFFAOYSA-N 0 0 327.453 4.135 50 0 EIAARN C[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000006678012 563577963 /nfs/dbraw/zinc/57/79/63/563577963.db2.gz LXUFZDKBJGDCHM-GFCCVEGCSA-N 0 0 339.395 4.118 50 0 EIAARN COc1ccccc1-c1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000006702783 563580822 /nfs/dbraw/zinc/58/08/22/563580822.db2.gz LDAXAUOLNIARIA-UHFFFAOYSA-N 0 0 331.828 4.426 50 0 EIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000006714601 563581622 /nfs/dbraw/zinc/58/16/22/563581622.db2.gz IISRMIYSLYWBPM-UHFFFAOYSA-N 0 0 347.821 4.142 50 0 EIAARN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccccc1 ZINC000006728766 563583203 /nfs/dbraw/zinc/58/32/03/563583203.db2.gz XVUOXWWBHWZNDA-UHFFFAOYSA-N 0 0 336.395 4.099 50 0 EIAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4ccccc4c2)N3)C1 ZINC000006857683 563589054 /nfs/dbraw/zinc/58/90/54/563589054.db2.gz IUINVIYMRNRCMP-GOSISDBHSA-N 0 0 349.459 4.318 50 0 EIAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000043010383 563591318 /nfs/dbraw/zinc/59/13/18/563591318.db2.gz UTLWUPOTNWXFBJ-FFZOFVMBSA-N 0 0 343.467 4.039 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000002662626 563599745 /nfs/dbraw/zinc/59/97/45/563599745.db2.gz ICVYGBFSASPDMK-UHFFFAOYSA-N 0 0 327.733 4.331 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)c(Cl)c2)nnn1-c1ccc(C)cc1 ZINC000002713197 563602793 /nfs/dbraw/zinc/60/27/93/563602793.db2.gz SXTBCSBWHCOUAH-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN COC(=O)c1ccc(Cl)cc1NC(=O)c1csc2c1CCCC2 ZINC000002708099 563603707 /nfs/dbraw/zinc/60/37/07/563603707.db2.gz RJOSYSGTDLGINZ-UHFFFAOYSA-N 0 0 349.839 4.319 50 0 EIAARN CC(C)c1cc(NC[C@@H]2CCCO2)n2ncc(-c3ccccc3)c2n1 ZINC000007636178 563608365 /nfs/dbraw/zinc/60/83/65/563608365.db2.gz ODBBNDYAPCLGKT-INIZCTEOSA-N 0 0 336.439 4.111 50 0 EIAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCC3)c2C(N)=O)C1 ZINC000002762069 563610211 /nfs/dbraw/zinc/61/02/11/563610211.db2.gz PXMOGMDLQYFPQV-GFCCVEGCSA-N 0 0 348.512 4.127 50 0 EIAARN CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(C)cc1 ZINC000007720211 563611925 /nfs/dbraw/zinc/61/19/25/563611925.db2.gz WKKBUJLSXLDLFA-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN O=C(CSc1nccc(-c2cccs2)n1)c1ccc(F)cc1F ZINC000002789497 563613501 /nfs/dbraw/zinc/61/35/01/563613501.db2.gz HNNKQTVOKYMGCS-UHFFFAOYSA-N 0 0 348.399 4.458 50 0 EIAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000002796428 563616604 /nfs/dbraw/zinc/61/66/04/563616604.db2.gz BHADTUSXOBESIN-LBPRGKRZSA-N 0 0 339.361 4.102 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc(Cl)ccc2o1 ZINC000008007071 563619013 /nfs/dbraw/zinc/61/90/13/563619013.db2.gz FUPIZBQJZVCXAG-UHFFFAOYSA-N 0 0 329.739 4.110 50 0 EIAARN O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1cccnc1 ZINC000002930938 563620795 /nfs/dbraw/zinc/62/07/95/563620795.db2.gz HMZVTBHSSAEYDI-UHFFFAOYSA-N 0 0 348.387 4.112 50 0 EIAARN CCOc1cc(Cl)ccc1C(=O)Nc1cc(Cl)ccc1O ZINC000008187660 563623274 /nfs/dbraw/zinc/62/32/74/563623274.db2.gz RHFJDLWVLJTGAM-UHFFFAOYSA-N 0 0 326.179 4.350 50 0 EIAARN CCCCOc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)O2)cc1 ZINC000003009579 563625101 /nfs/dbraw/zinc/62/51/01/563625101.db2.gz RYHYTCMCROKRPL-QGOAFFKASA-N 0 0 339.366 4.349 50 0 EIAARN O=C(Nc1nc(SCc2ccccc2)ns1)Nc1ccccc1 ZINC000003035284 563628999 /nfs/dbraw/zinc/62/89/99/563628999.db2.gz QYIWXOWNEZQRMD-UHFFFAOYSA-N 0 0 342.449 4.474 50 0 EIAARN S=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cn1 ZINC000008555464 563632365 /nfs/dbraw/zinc/63/23/65/563632365.db2.gz JWVJGALQJZHBGF-UHFFFAOYSA-N 0 0 342.649 4.306 50 0 EIAARN Fc1cccc(NC(=S)Nc2ccc(Br)cc2)c1 ZINC000008682535 563634978 /nfs/dbraw/zinc/63/49/78/563634978.db2.gz XJVIOEANHWJIII-UHFFFAOYSA-N 0 0 325.206 4.397 50 0 EIAARN Fc1cc(Br)ccc1NC(=S)Nc1ccccc1 ZINC000008682744 563634961 /nfs/dbraw/zinc/63/49/61/563634961.db2.gz VDTDFVAFDHZFAK-UHFFFAOYSA-N 0 0 325.206 4.397 50 0 EIAARN Cc1cccc(OCc2nnc(NC(=O)Nc3ccccc3)s2)c1 ZINC000008771476 563639862 /nfs/dbraw/zinc/63/98/62/563639862.db2.gz GVHYOGRJVUFUBQ-UHFFFAOYSA-N 0 0 340.408 4.070 50 0 EIAARN O=C(Nc1nnc(CCc2ccccc2)s1)Nc1ccc(F)cc1 ZINC000008914176 563640753 /nfs/dbraw/zinc/64/07/53/563640753.db2.gz PEAGAVFGTFBQLD-UHFFFAOYSA-N 0 0 342.399 4.106 50 0 EIAARN Cc1cnc(NC(=O)c2c(C)onc2-c2ccccc2Cl)s1 ZINC000008906281 563640785 /nfs/dbraw/zinc/64/07/85/563640785.db2.gz NRIJAMOCHGPNTQ-UHFFFAOYSA-N 0 0 333.800 4.321 50 0 EIAARN Cc1cccc(-n2ncc3c2ncnc3Nc2cc(C)cc(C)c2)c1 ZINC000009007555 563641453 /nfs/dbraw/zinc/64/14/53/563641453.db2.gz WRBNBGNLEAMTDO-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN Cc1cccc(-c2nnc3sc([C@@H](C)Oc4ccccc4)nn32)c1 ZINC000009227243 563642612 /nfs/dbraw/zinc/64/26/12/563642612.db2.gz XPIHAKGEFYRKEH-CYBMUJFWSA-N 0 0 336.420 4.301 50 0 EIAARN CCCC[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)OC ZINC000097600379 563643468 /nfs/dbraw/zinc/64/34/68/563643468.db2.gz MNSHCAUDSAYQBT-GFCCVEGCSA-N 0 0 340.832 4.214 50 0 EIAARN S=C1N=C2c3ccccc3CCC2[C@@H](c2ccccc2Cl)N1 ZINC000009356753 563643918 /nfs/dbraw/zinc/64/39/18/563643918.db2.gz MUCVCJCVUYUFGV-QGZVFWFLSA-N 0 0 326.852 4.216 50 0 EIAARN O=C(Nc1nnc(CSc2ccccc2)s1)c1cccs1 ZINC000009698626 563644863 /nfs/dbraw/zinc/64/48/63/563644863.db2.gz IOOJGTPPROKIMH-UHFFFAOYSA-N 0 0 333.463 4.144 50 0 EIAARN Cc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccco2)CC3=O)cc1 ZINC000010156621 563646117 /nfs/dbraw/zinc/64/61/17/563646117.db2.gz YOAXFTQCBYEIJJ-CQSZACIVSA-N 0 0 333.391 4.343 50 0 EIAARN Fc1cccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn32)c1 ZINC000010311593 563646783 /nfs/dbraw/zinc/64/67/83/563646783.db2.gz UHWIVXBFZZRRMD-UHFFFAOYSA-N 0 0 344.802 4.236 50 0 EIAARN Clc1cccc(/C=C/c2nn3c(nnc3-c3ccccn3)s2)c1 ZINC000010312424 563646812 /nfs/dbraw/zinc/64/68/12/563646812.db2.gz OPTYSZZYNGEDQT-BQYQJAHWSA-N 0 0 339.811 4.072 50 0 EIAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccncc2)cc1C ZINC000004329918 563649000 /nfs/dbraw/zinc/64/90/00/563649000.db2.gz ZCZWKHJCZKPDFU-HXUWFJFHSA-N 0 0 346.434 4.137 50 0 EIAARN O=C(NCc1ccc(F)cc1)Nc1ccc(SC(F)F)cc1 ZINC000043119278 563649211 /nfs/dbraw/zinc/64/92/11/563649211.db2.gz LVUWOBUJQNIIPY-UHFFFAOYSA-N 0 0 326.343 4.462 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCN(c2ccccc2)C[C@H]1C ZINC000011667682 563650392 /nfs/dbraw/zinc/65/03/92/563650392.db2.gz BVYACZOWEDCSKK-MRXNPFEDSA-N 0 0 348.446 4.401 50 0 EIAARN CC(C)C[C@H](O)c1ccc2c(c1)CN(Cc1ccc(F)cc1)CCO2 ZINC000012035285 563652602 /nfs/dbraw/zinc/65/26/02/563652602.db2.gz UPDSSFQPDHZPET-FQEVSTJZSA-N 0 0 343.442 4.300 50 0 EIAARN Cc1ccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000012112991 563653485 /nfs/dbraw/zinc/65/34/85/563653485.db2.gz LAUVKYXSXLKKCU-HNNXBMFYSA-N 0 0 330.384 4.081 50 0 EIAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000012138416 563654284 /nfs/dbraw/zinc/65/42/84/563654284.db2.gz ZERFGWSNCFYTLQ-UHFFFAOYSA-N 0 0 330.815 4.074 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000012138312 563654315 /nfs/dbraw/zinc/65/43/15/563654315.db2.gz SXILZDSVIOQZOK-UHFFFAOYSA-N 0 0 336.435 4.264 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)N[C@@H](c1cccnc1)C(F)(F)F ZINC000012303663 563657517 /nfs/dbraw/zinc/65/75/17/563657517.db2.gz QDFMKJIJAILRCF-INIZCTEOSA-N 0 0 348.324 4.478 50 0 EIAARN COc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(C)c(C)c2)C1 ZINC000012308623 563657761 /nfs/dbraw/zinc/65/77/61/563657761.db2.gz DDCXWWDXJMMEOA-SFHVURJKSA-N 0 0 338.451 4.029 50 0 EIAARN Cc1occc1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1 ZINC000012372523 563658784 /nfs/dbraw/zinc/65/87/84/563658784.db2.gz RGZKGNTYEYLNBM-UHFFFAOYSA-N 0 0 337.331 4.361 50 0 EIAARN Nc1cc(C(F)(F)F)ccc1-n1nc(C(F)(F)F)c2c1CCCC2 ZINC000012395379 563659655 /nfs/dbraw/zinc/65/96/55/563659655.db2.gz DANXTXUZFOZZCN-UHFFFAOYSA-N 0 0 349.278 4.371 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000012404376 563660074 /nfs/dbraw/zinc/66/00/74/563660074.db2.gz QUIJXCUCASPDOZ-UHFFFAOYSA-N 0 0 340.398 4.094 50 0 EIAARN Cc1ccc(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1C ZINC000012449123 563661162 /nfs/dbraw/zinc/66/11/62/563661162.db2.gz ULQSSQZQRAOGPI-OAHLLOKOSA-N 0 0 328.378 4.049 50 0 EIAARN Cc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)o1 ZINC000012462522 563661412 /nfs/dbraw/zinc/66/14/12/563661412.db2.gz QGVRQSQNPBPTDM-UHFFFAOYSA-N 0 0 346.393 4.042 50 0 EIAARN Cc1c([C@@H](C)NCc2ccccc2F)cnn1-c1cccc(F)c1 ZINC000012458778 563661549 /nfs/dbraw/zinc/66/15/49/563661549.db2.gz ABLHTXBGHNRBHG-CYBMUJFWSA-N 0 0 327.378 4.310 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2cc(-c3cc(C)cc(C)c3O)[nH]n2)c1 ZINC000012475309 563661834 /nfs/dbraw/zinc/66/18/34/563661834.db2.gz WDPGLZHDHYZMKZ-UHFFFAOYSA-N 0 0 335.407 4.268 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)[nH]n2)cc1C ZINC000012475485 563661894 /nfs/dbraw/zinc/66/18/94/563661894.db2.gz DXOZXMMRVDIYSI-UHFFFAOYSA-N 0 0 335.407 4.268 50 0 EIAARN Cc1ccc(C)c(O[C@H]2OCCO[C@H]2Oc2cc(C)ccc2C)c1 ZINC000012559384 563663173 /nfs/dbraw/zinc/66/31/73/563663173.db2.gz FIWQEUYGWOXXMV-BGYRXZFFSA-N 0 0 328.408 4.077 50 0 EIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(F)c3)c12 ZINC000012746780 563669753 /nfs/dbraw/zinc/66/97/53/563669753.db2.gz HAMQGQXGCSBFRK-UHFFFAOYSA-N 0 0 337.310 4.183 50 0 EIAARN C[C@H](NC(=O)COc1ccc(F)c(F)c1)c1ccc2ccccc2c1 ZINC000012792777 563671972 /nfs/dbraw/zinc/67/19/72/563671972.db2.gz HSNXWUNIWRUQNJ-ZDUSSCGKSA-N 0 0 341.357 4.374 50 0 EIAARN CCc1ccccc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000012803322 563674078 /nfs/dbraw/zinc/67/40/78/563674078.db2.gz GBYOZJMDCDEAAF-INIZCTEOSA-N 0 0 325.408 4.059 50 0 EIAARN c1coc(C2=Nc3cc4c(cc3[C@H](c3ccccc3)O2)OCCO4)c1 ZINC000012854788 563675915 /nfs/dbraw/zinc/67/59/15/563675915.db2.gz HDCFLCDERXUKSG-IBGZPJMESA-N 0 0 333.343 4.249 50 0 EIAARN Cc1c2oc(=O)c3c(c2cc2c1OC1(CCCCC1)C[C@@H]2O)CCC3 ZINC000012892898 563676400 /nfs/dbraw/zinc/67/64/00/563676400.db2.gz IEBAMPNFBMIYQO-KRWDZBQOSA-N 0 0 340.419 4.109 50 0 biogenic EIAARN Cc1cnc(NC(=O)c2ccc(SCc3cscn3)cc2)s1 ZINC000012875052 563676412 /nfs/dbraw/zinc/67/64/12/563676412.db2.gz HJCNXALDBTVMOW-UHFFFAOYSA-N 0 0 347.490 4.453 50 0 EIAARN Cc1nc(-c2ccccc2)sc1CCNC(=O)c1cccc(C)c1 ZINC000004392457 563677150 /nfs/dbraw/zinc/67/71/50/563677150.db2.gz CYTVYXUXLNMCMU-UHFFFAOYSA-N 0 0 336.460 4.399 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c(C)c1 ZINC000012945003 563678523 /nfs/dbraw/zinc/67/85/23/563678523.db2.gz MIKPWBMQFIRGDM-INIZCTEOSA-N 0 0 325.408 4.114 50 0 EIAARN CCC[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000012971757 563679284 /nfs/dbraw/zinc/67/92/84/563679284.db2.gz JQBBARGFUFZXOO-GOSISDBHSA-N 0 0 336.439 4.283 50 0 EIAARN O=C1CCCN1c1ccc(OCc2coc(-c3ccccc3)n2)cc1 ZINC000012974510 563679873 /nfs/dbraw/zinc/67/98/73/563679873.db2.gz NBQYFULHMZAWDI-UHFFFAOYSA-N 0 0 334.375 4.047 50 0 EIAARN CC[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(C)cc1 ZINC000012974626 563680223 /nfs/dbraw/zinc/68/02/23/563680223.db2.gz HDOLTEKVHRPXFL-HNNXBMFYSA-N 0 0 327.453 4.133 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000012976058 563680476 /nfs/dbraw/zinc/68/04/76/563680476.db2.gz DHUWMXGIQYNNIU-UHFFFAOYSA-N 0 0 347.827 4.331 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@@H](C)c1ccccc1C ZINC000012982553 563681551 /nfs/dbraw/zinc/68/15/51/563681551.db2.gz ZYHCYGGAYWKPTD-MAUKXSAKSA-N 0 0 342.508 4.243 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012985253 563682060 /nfs/dbraw/zinc/68/20/60/563682060.db2.gz GUCJIVSKSFFESF-SUMWQHHRSA-N 0 0 346.471 4.074 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c(F)c1 ZINC000012988750 563682404 /nfs/dbraw/zinc/68/24/04/563682404.db2.gz IZDIXUMOJCARRR-UHFFFAOYSA-N 0 0 346.789 4.167 50 0 EIAARN C[C@@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccccc1Cl ZINC000013001092 563684690 /nfs/dbraw/zinc/68/46/90/563684690.db2.gz IZDFONQAWBBHPF-SNVBAGLBSA-N 0 0 347.773 4.187 50 0 EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2C)cc1 ZINC000013115481 563688514 /nfs/dbraw/zinc/68/85/14/563688514.db2.gz LZVMDRWDDBHINA-FQEVSTJZSA-N 0 0 349.459 4.052 50 0 EIAARN COc1ccc([C@H]2C3CCCc4ccccc4C3=Nc3ncnn32)cc1 ZINC000013124386 563689185 /nfs/dbraw/zinc/68/91/85/563689185.db2.gz CDRIVDZETXIUJQ-FQEVSTJZSA-N 0 0 344.418 4.049 50 0 EIAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)NC1CCCCC1 ZINC000013331368 563696409 /nfs/dbraw/zinc/69/64/09/563696409.db2.gz SVJBUUXCBWLQAV-UHFFFAOYSA-N 0 0 344.434 4.142 50 0 EIAARN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)on2)c1 ZINC000013331298 563696443 /nfs/dbraw/zinc/69/64/43/563696443.db2.gz XXSCXWMQMSMHTR-NSHDSACASA-N 0 0 336.819 4.340 50 0 EIAARN Cc1cccnc1NC(=O)C(C)(C)Oc1cc(Cl)ccc1Cl ZINC000013331706 563696605 /nfs/dbraw/zinc/69/66/05/563696605.db2.gz XHUFFHGOMUFJAW-UHFFFAOYSA-N 0 0 339.222 4.493 50 0 EIAARN CC(C)c1ccc(CCC(=O)Nc2nccc(-c3ccco3)n2)cc1 ZINC000013644791 563706344 /nfs/dbraw/zinc/70/63/44/563706344.db2.gz JILJFQLWSASIEQ-UHFFFAOYSA-N 0 0 335.407 4.431 50 0 EIAARN CSc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000013669383 563708623 /nfs/dbraw/zinc/70/86/23/563708623.db2.gz ZQRITGLUGXKTEZ-AWEZNQCLSA-N 0 0 335.494 4.065 50 0 EIAARN CC1CCN(C(=O)c2ccccc2-c2cc3ccccc3c(=O)o2)CC1 ZINC000013689937 563712259 /nfs/dbraw/zinc/71/22/59/563712259.db2.gz ZAAYWWBKVGBZGM-UHFFFAOYSA-N 0 0 347.414 4.332 50 0 EIAARN Fc1ccccc1-c1nnc2sc(-c3ccc4ccccc4n3)nn21 ZINC000013691577 563712459 /nfs/dbraw/zinc/71/24/59/563712459.db2.gz IAMXFSTWRRUYKQ-UHFFFAOYSA-N 0 0 347.378 4.207 50 0 EIAARN COC(=O)c1cc(C)sc1NC(=S)N(CC(C)C)CC(C)C ZINC000013824541 563725682 /nfs/dbraw/zinc/72/56/82/563725682.db2.gz UBGKWHZALQJFGN-UHFFFAOYSA-N 0 0 342.530 4.154 50 0 EIAARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000013839723 563726043 /nfs/dbraw/zinc/72/60/43/563726043.db2.gz AOWNHAWMBIGDJY-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN O=C(Nc1ccc(Cl)cn1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000004492326 563733821 /nfs/dbraw/zinc/73/38/21/563733821.db2.gz LCCCEXQBOUOSBL-QWHCGFSZSA-N 0 0 341.625 4.261 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000013995817 563734954 /nfs/dbraw/zinc/73/49/54/563734954.db2.gz QMROKHJUKSJVLR-UHFFFAOYSA-N 0 0 343.814 4.220 50 0 EIAARN Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccccc2)n1C ZINC000014085636 563738764 /nfs/dbraw/zinc/73/87/64/563738764.db2.gz VWDFZLPTMYKZAO-AWEZNQCLSA-N 0 0 337.448 4.154 50 0 EIAARN CC(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)sc2C)o1 ZINC000014103192 563740924 /nfs/dbraw/zinc/74/09/24/563740924.db2.gz PEMROHMQTYHYQI-UHFFFAOYSA-N 0 0 330.384 4.154 50 0 EIAARN COc1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1 ZINC000014129260 563743549 /nfs/dbraw/zinc/74/35/49/563743549.db2.gz YSGJACODKMVUQA-HNNXBMFYSA-N 0 0 341.436 4.144 50 0 EIAARN O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000014182992 563747856 /nfs/dbraw/zinc/74/78/56/563747856.db2.gz ZCVBNLSXEMQMKZ-UHFFFAOYSA-N 0 0 341.366 4.414 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000014239685 563753581 /nfs/dbraw/zinc/75/35/81/563753581.db2.gz GLIRPXRBFFKAHU-NSHDSACASA-N 0 0 341.338 4.100 50 0 EIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccccc3)c12 ZINC000014245351 563754820 /nfs/dbraw/zinc/75/48/20/563754820.db2.gz KEURZPAAGAWUEJ-UHFFFAOYSA-N 0 0 347.374 4.063 50 0 EIAARN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1c(C)cc(C)cc1C ZINC000014396517 563758509 /nfs/dbraw/zinc/75/85/09/563758509.db2.gz WAFWXAODKWRFTR-SFHVURJKSA-N 0 0 327.424 4.417 50 0 EIAARN COc1cccc2c1O[C@H](C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000004539977 563761366 /nfs/dbraw/zinc/76/13/66/563761366.db2.gz OVYZWXVFOUTKAI-BZNIZROVSA-N 0 0 328.799 4.238 50 0 EIAARN CC(=O)Nc1ccc(OC(=O)Cc2coc3c2ccc(C)c3C)cc1 ZINC000014627821 563762036 /nfs/dbraw/zinc/76/20/36/563762036.db2.gz LEQVPOQRBKOPHH-UHFFFAOYSA-N 0 0 337.375 4.156 50 0 EIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000014790069 563764525 /nfs/dbraw/zinc/76/45/25/563764525.db2.gz LWZPEXGGABHISC-UHFFFAOYSA-N 0 0 330.309 4.184 50 0 EIAARN Cc1ccccc1[C@H](CC(=O)N(C)C1CCOCC1)c1ccccc1 ZINC000015076486 563776277 /nfs/dbraw/zinc/77/62/77/563776277.db2.gz HHBLAYJVJAOMCG-OAQYLSRUSA-N 0 0 337.463 4.154 50 0 EIAARN COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C)C4)ccc1O ZINC000015085167 563777592 /nfs/dbraw/zinc/77/75/92/563777592.db2.gz AAUDZRQKQXRTFP-GWCFXTLKSA-N 0 0 343.448 4.061 50 0 EIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccnc1 ZINC000015096829 563778043 /nfs/dbraw/zinc/77/80/43/563778043.db2.gz LEQUNJLGGBYBIX-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN CCNc1nc2c(s1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000015110115 563778328 /nfs/dbraw/zinc/77/83/28/563778328.db2.gz YCYKRVDYJDZYPK-MRVPVSSYSA-N 0 0 342.251 4.356 50 0 EIAARN Cc1ccc(-c2noc(CN(C)Cc3cccc(Cl)c3)n2)cc1 ZINC000015298475 563781627 /nfs/dbraw/zinc/78/16/27/563781627.db2.gz GIPSENIIZXUCOL-UHFFFAOYSA-N 0 0 327.815 4.330 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3c(s2)c2ccccc2oc3=O)C1 ZINC000004563753 563782771 /nfs/dbraw/zinc/78/27/71/563782771.db2.gz OGIIADCDZXXALG-TXEJJXNPSA-N 0 0 341.432 4.126 50 0 EIAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000015339822 563783084 /nfs/dbraw/zinc/78/30/84/563783084.db2.gz AZMIYWVGWDYPRW-OAHLLOKOSA-N 0 0 348.402 4.331 50 0 EIAARN C[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000015340111 563783186 /nfs/dbraw/zinc/78/31/86/563783186.db2.gz XFMAMRAFJOLZCA-INIZCTEOSA-N 0 0 329.399 4.409 50 0 EIAARN CCOC(=O)N1CCc2nc3ccccc3c(-c3ccccc3)c2C1 ZINC000015453787 563784666 /nfs/dbraw/zinc/78/46/66/563784666.db2.gz LRADWEMQTRCZEO-UHFFFAOYSA-N 0 0 332.403 4.416 50 0 EIAARN CCOC(=O)c1sc(-c2ccc(Br)cc2)nc1C ZINC000015442780 563784713 /nfs/dbraw/zinc/78/47/13/563784713.db2.gz AVMBOOUDIFIANG-UHFFFAOYSA-N 0 0 326.215 4.058 50 0 EIAARN O=C(NCCCn1ccc2ccccc21)c1ccc(-n2cccc2)cc1 ZINC000015534777 563786538 /nfs/dbraw/zinc/78/65/38/563786538.db2.gz TZSOGTGFPFASBZ-UHFFFAOYSA-N 0 0 343.430 4.252 50 0 EIAARN CCOC(=O)Nc1cccc(C(=O)Nc2cccc3c2CCCC3)c1 ZINC000015582655 563787591 /nfs/dbraw/zinc/78/75/91/563787591.db2.gz ASOXHLPGGHXCAY-UHFFFAOYSA-N 0 0 338.407 4.386 50 0 EIAARN O=C(Nc1ccccc1Br)c1cc(Cl)ccc1F ZINC000015576926 563787664 /nfs/dbraw/zinc/78/76/64/563787664.db2.gz SDZYFFSIMRDJHS-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN COc1ccc(-c2nc(C(=O)N[C@H]3CCCC[C@@H]3C)cs2)cc1 ZINC000015662391 563790040 /nfs/dbraw/zinc/79/00/40/563790040.db2.gz XKNCWDXFNUNFLB-WFASDCNBSA-N 0 0 330.453 4.127 50 0 EIAARN CN(C(=O)CSc1ccc(F)c(F)c1)[C@H]1CCc2ccccc21 ZINC000032905657 563791879 /nfs/dbraw/zinc/79/18/79/563791879.db2.gz AKLDLFBDHWLTPS-KRWDZBQOSA-N 0 0 333.403 4.203 50 0 EIAARN Cc1cc(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)c(C)o1 ZINC000015823514 563793034 /nfs/dbraw/zinc/79/30/34/563793034.db2.gz WSDGCYUCJLZCRL-UHFFFAOYSA-N 0 0 348.446 4.008 50 0 EIAARN Cc1ccc(CSc2nc(=O)n(-c3ccccc3)c3c2CCC3)cc1 ZINC000015840395 563795565 /nfs/dbraw/zinc/79/55/65/563795565.db2.gz VDXSPYBVDIKDOB-UHFFFAOYSA-N 0 0 348.471 4.322 50 0 EIAARN CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000015860734 563797020 /nfs/dbraw/zinc/79/70/20/563797020.db2.gz ARPGSWAARADVQH-CQSZACIVSA-N 0 0 344.842 4.000 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 ZINC000016216351 563806029 /nfs/dbraw/zinc/80/60/29/563806029.db2.gz PODDLESCQQGCMH-UHFFFAOYSA-N 0 0 328.387 4.077 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000016347721 563809438 /nfs/dbraw/zinc/80/94/38/563809438.db2.gz MYAIQLYVQRHHMV-UHFFFAOYSA-N 0 0 346.235 4.111 50 0 EIAARN C[C@H]1Cc2ccccc2N1Cc1nc(-c2ccccc2Cl)no1 ZINC000016381925 563809803 /nfs/dbraw/zinc/80/98/03/563809803.db2.gz AAJNZQBYBSFGEM-LBPRGKRZSA-N 0 0 325.799 4.341 50 0 EIAARN CCC[C@@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000016420738 563810967 /nfs/dbraw/zinc/81/09/67/563810967.db2.gz DSDSXWCTEZRXQP-MAUKXSAKSA-N 0 0 342.508 4.325 50 0 EIAARN S=C(Nc1cccc(CCc2ccccn2)c1)NC1CCCCC1 ZINC000016545930 563814435 /nfs/dbraw/zinc/81/44/35/563814435.db2.gz ZHLBXSNGWSHYSH-UHFFFAOYSA-N 0 0 339.508 4.486 50 0 EIAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(CC)cc1 ZINC000016751217 563822570 /nfs/dbraw/zinc/82/25/70/563822570.db2.gz HWVAEVYYGWHFSB-IBGZPJMESA-N 0 0 347.414 4.311 50 0 EIAARN CCCn1c(SCc2cccc(OC)c2)nnc1-c1ccco1 ZINC000017067519 563831674 /nfs/dbraw/zinc/83/16/74/563831674.db2.gz OSHAZGVXNTYRGY-UHFFFAOYSA-N 0 0 329.425 4.249 50 0 EIAARN Fc1ccc(N2C(=S)N=NC2CSCc2ccccc2)cc1 ZINC000017068111 563831971 /nfs/dbraw/zinc/83/19/71/563831971.db2.gz KPOFXLIHMQTIBF-UHFFFAOYSA-N 0 0 331.441 4.129 50 0 EIAARN FC(F)(F)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000017071181 563834203 /nfs/dbraw/zinc/83/42/03/563834203.db2.gz RQVBZPRYAABNNQ-UHFFFAOYSA-N 0 0 340.326 4.243 50 0 EIAARN COc1cc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc(OC)c1 ZINC000017071910 563835280 /nfs/dbraw/zinc/83/52/80/563835280.db2.gz MJQGSFGBJGDCHG-CQSZACIVSA-N 0 0 344.480 4.368 50 0 EIAARN C[C@H](NC(=O)NCCc1ccccc1)c1ccccc1Br ZINC000017115801 563837167 /nfs/dbraw/zinc/83/71/67/563837167.db2.gz QBPLWODEXTXSIE-ZDUSSCGKSA-N 0 0 347.256 4.052 50 0 EIAARN CCc1ccc(N2C(=O)CS[C@H]2c2cccc(OC)c2OC)cc1 ZINC000017198434 563840291 /nfs/dbraw/zinc/84/02/91/563840291.db2.gz JGBOVKGZUVKLNL-IBGZPJMESA-N 0 0 343.448 4.045 50 0 EIAARN COC(=O)c1ccccc1NC(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000000398270 563841676 /nfs/dbraw/zinc/84/16/76/563841676.db2.gz OOVQUZNAFHHDNE-UHFFFAOYSA-N 0 0 340.162 4.391 50 0 EIAARN Cc1ccc(-c2cnn3c2nc(C)cc3N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000018100442 563848746 /nfs/dbraw/zinc/84/87/46/563848746.db2.gz KANMRAOPCDEPFF-IYBDPMFKSA-N 0 0 334.467 4.495 50 0 EIAARN Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000018241349 563851638 /nfs/dbraw/zinc/85/16/38/563851638.db2.gz TTZPHNFNLGIKKS-ROUUACIJSA-N 0 0 333.387 4.243 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000018265279 563851859 /nfs/dbraw/zinc/85/18/59/563851859.db2.gz MIEKHPVGUXVDBU-IYBDPMFKSA-N 0 0 336.435 4.057 50 0 EIAARN CC(C)c1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)[nH]n1 ZINC000019147177 563854439 /nfs/dbraw/zinc/85/44/39/563854439.db2.gz RWINNMOBOCZATJ-OAHLLOKOSA-N 0 0 345.874 4.281 50 0 EIAARN Cc1nn(C)c(C)c1CCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000010660386 563856240 /nfs/dbraw/zinc/85/62/40/563856240.db2.gz YFTWAJKITHVGOZ-UHFFFAOYSA-N 0 0 347.462 4.199 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCc2sccc2C1 ZINC000010767450 563861067 /nfs/dbraw/zinc/86/10/67/563861067.db2.gz ZFADUYOWDUQZME-LBPRGKRZSA-N 0 0 334.872 4.095 50 0 EIAARN O=C(Nc1c(F)cccc1F)N[C@H](c1ccccc1)c1ccccn1 ZINC000043265792 563861361 /nfs/dbraw/zinc/86/13/61/563861361.db2.gz FJQGNBXKKXFWJC-QGZVFWFLSA-N 0 0 339.345 4.271 50 0 EIAARN COc1cccc2cc(C(=O)Nc3nnc(C4CCCCC4)o3)oc21 ZINC000010882245 563865644 /nfs/dbraw/zinc/86/56/44/563865644.db2.gz BXFFBYHWVQSFLB-UHFFFAOYSA-N 0 0 341.367 4.124 50 0 EIAARN O=C(NCc1csc(-c2ccccc2)n1)c1ccccc1Cl ZINC000010893686 563866200 /nfs/dbraw/zinc/86/62/00/563866200.db2.gz ZZDWBNRUDALLSX-UHFFFAOYSA-N 0 0 328.824 4.394 50 0 EIAARN CCOc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000010893754 563866245 /nfs/dbraw/zinc/86/62/45/563866245.db2.gz XBZDEGFPKGHFBB-UHFFFAOYSA-N 0 0 338.432 4.139 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2ccc(C)cc21 ZINC000024708610 563874426 /nfs/dbraw/zinc/87/44/26/563874426.db2.gz YWDHWMPGDYJDJN-UHFFFAOYSA-N 0 0 346.430 4.453 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000043485852 563884415 /nfs/dbraw/zinc/88/44/15/563884415.db2.gz BJPGKNRNHODQCT-IAGOWNOFSA-N 0 0 327.472 4.331 50 0 EIAARN CCOCc1ccccc1NC(=O)N(C)CCCNc1ccccc1 ZINC000069967060 563892132 /nfs/dbraw/zinc/89/21/32/563892132.db2.gz FMUQSOHBCPIUPZ-UHFFFAOYSA-N 0 0 341.455 4.189 50 0 EIAARN O=C(Nc1ccccc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027355225 563895306 /nfs/dbraw/zinc/89/53/06/563895306.db2.gz QMAMOHJQHBWNET-LJQANCHMSA-N 0 0 346.434 4.131 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1csc(C)n1 ZINC000072271604 563896328 /nfs/dbraw/zinc/89/63/28/563896328.db2.gz MCKSDBNGIKTBJZ-YGRLFVJLSA-N 0 0 335.498 4.293 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2F)n1 ZINC000072273775 563902603 /nfs/dbraw/zinc/90/26/03/563902603.db2.gz YISLYXFIZCOVDL-INMHGKMJSA-N 0 0 344.455 4.448 50 0 EIAARN CO[C@H]1CCCN(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)C1 ZINC000070020554 563903093 /nfs/dbraw/zinc/90/30/93/563903093.db2.gz FYVLZRJTPVMFDZ-INIZCTEOSA-N 0 0 343.427 4.108 50 0 EIAARN CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(Cl)c1 ZINC000013483417 563905639 /nfs/dbraw/zinc/90/56/39/563905639.db2.gz OQLSJPDLQZXAMW-UHFFFAOYSA-N 0 0 340.810 4.256 50 0 EIAARN C[C@@H](COCc1ccccc1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000072285825 563907193 /nfs/dbraw/zinc/90/71/93/563907193.db2.gz CMCLYCLMFXIHLM-RDJZCZTQSA-N 0 0 344.480 4.050 50 0 EIAARN O=C([C@@H]1C[C@H]1c1ccccc1F)N1CCCC[C@@H]1c1nccs1 ZINC000072285903 563907219 /nfs/dbraw/zinc/90/72/19/563907219.db2.gz NKBIUORBGBHHAM-SQWLQELKSA-N 0 0 330.428 4.140 50 0 EIAARN CCO[C@@H](C)c1nc(CC(=O)O[C@H](c2ccccn2)C(C)C)cs1 ZINC000072287219 563907584 /nfs/dbraw/zinc/90/75/84/563907584.db2.gz GSNOSKSQFFSWCS-GUYCJALGSA-N 0 0 348.468 4.119 50 0 EIAARN CCO[C@@H](C)c1nc(CC(=O)O[C@@H](c2ccccn2)C(C)C)cs1 ZINC000072287217 563907636 /nfs/dbraw/zinc/90/76/36/563907636.db2.gz GSNOSKSQFFSWCS-SUMWQHHRSA-N 0 0 348.468 4.119 50 0 EIAARN COC(=O)c1c(C)cccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000011058144 563908459 /nfs/dbraw/zinc/90/84/59/563908459.db2.gz ICHAYKBDDWXCTF-UHFFFAOYSA-N 0 0 337.297 4.053 50 0 EIAARN CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000030011943 563909303 /nfs/dbraw/zinc/90/93/03/563909303.db2.gz JJSJXTDJPRGPHL-UHFFFAOYSA-N 0 0 341.798 4.381 50 0 EIAARN Cc1cc(C)n(-c2ccc(SCc3ccccc3Cl)nn2)n1 ZINC000011067599 563909966 /nfs/dbraw/zinc/90/99/66/563909966.db2.gz CCOGTNPMLKDXNC-UHFFFAOYSA-N 0 0 330.844 4.225 50 0 EIAARN CO[C@H](CNC(=O)CCc1cccc(C)c1)c1ccc(Cl)cc1 ZINC000072296785 563912592 /nfs/dbraw/zinc/91/25/92/563912592.db2.gz IGYUWFCLOAPNFT-GOSISDBHSA-N 0 0 331.843 4.085 50 0 EIAARN CC(C)c1csc([C@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n1 ZINC000072300318 563912729 /nfs/dbraw/zinc/91/27/29/563912729.db2.gz ZVVPPADEEGCLSX-ZDUSSCGKSA-N 0 0 346.500 4.133 50 0 EIAARN CCc1cc2c(ncnc2N[C@@H](CC)[C@@H](O)c2ccccc2F)s1 ZINC000072304145 563914449 /nfs/dbraw/zinc/91/44/49/563914449.db2.gz DPUCJKPCUQBSID-HOTGVXAUSA-N 0 0 345.443 4.317 50 0 EIAARN CCCn1cc(NC(=O)Nc2ccc(-c3nccs3)cc2)cn1 ZINC000072306976 563915831 /nfs/dbraw/zinc/91/58/31/563915831.db2.gz YJPIJHJYFMKDLR-UHFFFAOYSA-N 0 0 327.413 4.061 50 0 EIAARN Cc1nc2sc(-c3ccccc3)cc2c(=O)n1Cc1ccccc1 ZINC000000098341 563916947 /nfs/dbraw/zinc/91/69/47/563916947.db2.gz JHUQGBICGJZWJL-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccc(F)cc1 ZINC000000208635 563917117 /nfs/dbraw/zinc/91/71/17/563917117.db2.gz XTJHFKSNZJEXJD-UHFFFAOYSA-N 0 0 345.377 4.341 50 0 EIAARN CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1ccc(Br)cc1 ZINC000000613543 563917718 /nfs/dbraw/zinc/91/77/18/563917718.db2.gz IFXKRMGARRVMNT-HNNXBMFYSA-N 0 0 347.212 4.048 50 0 EIAARN CO[C@H](C)CCNC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000465840687 563920027 /nfs/dbraw/zinc/92/00/27/563920027.db2.gz JQRIRKRRSBGCMZ-OAHLLOKOSA-N 0 0 336.451 4.095 50 0 EIAARN Cc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000013494958 563920880 /nfs/dbraw/zinc/92/08/80/563920880.db2.gz HTKUUGMIGWTNEJ-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1ccc(C)c(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c1 ZINC000038670791 563921857 /nfs/dbraw/zinc/92/18/57/563921857.db2.gz HMRJZHWADWXIEA-UHFFFAOYSA-N 0 0 333.391 4.446 50 0 EIAARN CCn1c(C)cc(C(=O)N2CCC[C@@H]2c2cccc(OC)c2)c1C ZINC000042659982 563924769 /nfs/dbraw/zinc/92/47/69/563924769.db2.gz JHOIQNDHBWSCKT-LJQANCHMSA-N 0 0 326.440 4.111 50 0 EIAARN C[C@@H]1CCc2c(sc3[nH]c(SCc4cccs4)nc(=O)c23)C1 ZINC000071434617 563924770 /nfs/dbraw/zinc/92/47/70/563924770.db2.gz QZIFDIOQYUJTQN-SECBINFHSA-N 0 0 348.518 4.463 50 0 EIAARN CN(Cc1cccs1)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000044125131 563926126 /nfs/dbraw/zinc/92/61/26/563926126.db2.gz LAFAJOAOESQLLN-LJQANCHMSA-N 0 0 334.444 4.274 50 0 EIAARN CCCn1cc(-c2ccnc(NCc3cccc(Cl)c3)n2)c(C)n1 ZINC000048428210 563930379 /nfs/dbraw/zinc/93/03/79/563930379.db2.gz WAHHAMJAMPWWOD-UHFFFAOYSA-N 0 0 341.846 4.324 50 0 EIAARN CC[C@H](C)N(Cc1cccnc1)Cc1ccc(OC)c(O)c1Cl ZINC000055053601 563933317 /nfs/dbraw/zinc/93/33/17/563933317.db2.gz DLYQQAYBRCCWCP-ZDUSSCGKSA-N 0 0 334.847 4.250 50 0 EIAARN CCSc1ncc(CN(Cc2ccsc2)Cc2ccco2)cn1 ZINC000055108823 563933755 /nfs/dbraw/zinc/93/37/55/563933755.db2.gz YGCKXOCAGKWWEQ-UHFFFAOYSA-N 0 0 345.493 4.446 50 0 EIAARN CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000055133673 563933789 /nfs/dbraw/zinc/93/37/89/563933789.db2.gz JLHJUSZBWDPXIJ-UWWQBHOKSA-N 0 0 341.451 4.145 50 0 EIAARN Cc1ccc([C@H](CC(=O)NCCc2ccccn2)c2ccccc2)cc1 ZINC000055167674 563933912 /nfs/dbraw/zinc/93/39/12/563933912.db2.gz FFNWBLFSLYLLPF-JOCHJYFZSA-N 0 0 344.458 4.271 50 0 EIAARN CCCCOc1c(CN(C)[C@H](C)c2cccnc2)cccc1OC ZINC000055211618 563934040 /nfs/dbraw/zinc/93/40/40/563934040.db2.gz OLPFAPXUPDYJTQ-MRXNPFEDSA-N 0 0 328.456 4.462 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)c1cccnc1 ZINC000055284783 563934276 /nfs/dbraw/zinc/93/42/76/563934276.db2.gz GTZDOWLDWNTTBR-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN Cc1ccccc1-c1noc(CSCCOc2ccccc2)n1 ZINC000058031159 563936925 /nfs/dbraw/zinc/93/69/25/563936925.db2.gz ATGNXFFEKVNOLS-UHFFFAOYSA-N 0 0 326.421 4.357 50 0 EIAARN C[C@@H](NC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccccc1Cl ZINC000058065837 563937152 /nfs/dbraw/zinc/93/71/52/563937152.db2.gz JLQKGBQZKHSTQA-RDTXWAMCSA-N 0 0 339.826 4.003 50 0 EIAARN O=C(Cn1ccc2ccccc21)O[C@@H](c1ccccc1)c1ccccn1 ZINC000058088451 563937303 /nfs/dbraw/zinc/93/73/03/563937303.db2.gz RLOQVTQLSUTRLC-QFIPXVFZSA-N 0 0 342.398 4.369 50 0 EIAARN Cc1ccc(C(=O)C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(C)c1 ZINC000046394082 563937319 /nfs/dbraw/zinc/93/73/19/563937319.db2.gz ZQHBDCPFMYNONF-UHFFFAOYSA-N 0 0 344.842 4.020 50 0 EIAARN CC(=O)Nc1ccc(OC(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000058096702 563937434 /nfs/dbraw/zinc/93/74/34/563937434.db2.gz DUYDBRZJWWNDCI-UHFFFAOYSA-N 0 0 344.417 4.049 50 0 EIAARN CCCc1sc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1CC ZINC000058139418 563937746 /nfs/dbraw/zinc/93/77/46/563937746.db2.gz UYQXQZFHWKZQAN-AWEZNQCLSA-N 0 0 331.485 4.354 50 0 EIAARN CCCc1sc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1CC ZINC000058139411 563937754 /nfs/dbraw/zinc/93/77/54/563937754.db2.gz UYQXQZFHWKZQAN-CQSZACIVSA-N 0 0 331.485 4.354 50 0 EIAARN OCCCCCSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000058155581 563938002 /nfs/dbraw/zinc/93/80/02/563938002.db2.gz ZPKUVELSGHQYJN-UHFFFAOYSA-N 0 0 335.473 4.298 50 0 EIAARN CC1CCC(NC(=O)CSc2ccc(Br)cc2)CC1 ZINC000058157797 563938134 /nfs/dbraw/zinc/93/81/34/563938134.db2.gz URMNSTFNCYWTSP-UHFFFAOYSA-N 0 0 342.302 4.236 50 0 EIAARN O=C(CC[S@](=O)Cc1cccc2ccccc21)Nc1ccccc1 ZINC000058203498 563939881 /nfs/dbraw/zinc/93/98/81/563939881.db2.gz HLQHSUXEFAKACW-XMMPIXPASA-N 0 0 337.444 4.117 50 0 EIAARN CC(C)c1csc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000058248680 563940833 /nfs/dbraw/zinc/94/08/33/563940833.db2.gz BEFZDAQPXYNZIF-KRWDZBQOSA-N 0 0 337.448 4.181 50 0 EIAARN Cc1ccccc1NCCC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000058261016 563941006 /nfs/dbraw/zinc/94/10/06/563941006.db2.gz GPGZBILOVYJNBV-FQEVSTJZSA-N 0 0 337.467 4.336 50 0 EIAARN CC(C)Oc1ccccc1[C@@H](C)Nc1cc(C(N)=O)c2ccccc2n1 ZINC000058312657 563942320 /nfs/dbraw/zinc/94/23/20/563942320.db2.gz QSKOWTPCZYXNFL-CQSZACIVSA-N 0 0 349.434 4.294 50 0 EIAARN O=C(NC1CCN(c2ccccc2)CC1)c1sccc1C1CC1 ZINC000058314235 563942367 /nfs/dbraw/zinc/94/23/67/563942367.db2.gz ASWWAERHWGSIMH-UHFFFAOYSA-N 0 0 326.465 4.024 50 0 EIAARN Cc1ccccc1N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl ZINC000000364698 563991709 /nfs/dbraw/zinc/99/17/09/563991709.db2.gz NPXBZBKADVFZIU-LLVKDONJSA-N 0 0 337.678 4.266 50 0 EIAARN C[C@@H](Nc1cccc(COCC2CC2)c1)C(=O)Nc1ccccc1F ZINC000058355533 563943297 /nfs/dbraw/zinc/94/32/97/563943297.db2.gz BKGAVDNWUGJJKB-CQSZACIVSA-N 0 0 342.414 4.191 50 0 EIAARN O=C(CC1CCCC1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000058357652 563943648 /nfs/dbraw/zinc/94/36/48/563943648.db2.gz MHMGRHWYOFJBSO-UHFFFAOYSA-N 0 0 328.437 4.264 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@H]2C(C)C)c2cnn(C(C)C)c2n1 ZINC000058363298 563943797 /nfs/dbraw/zinc/94/37/97/563943797.db2.gz JVWMREXAJOESGE-SFHVURJKSA-N 0 0 342.487 4.396 50 0 EIAARN COc1cc(-c2ccccc2)sc1C(=O)Nc1ccccc1O ZINC000058390762 563944473 /nfs/dbraw/zinc/94/44/73/563944473.db2.gz MBLSITCLGNXBSJ-UHFFFAOYSA-N 0 0 325.389 4.382 50 0 EIAARN CN(CCc1ccccc1)C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000058393140 563944749 /nfs/dbraw/zinc/94/47/49/563944749.db2.gz GFXPXWDISAKNGN-UHFFFAOYSA-N 0 0 332.447 4.361 50 0 EIAARN Cc1cn2cc(NC(=O)c3cc4c(s3)CCCCC4)ccc2n1 ZINC000058406635 563945069 /nfs/dbraw/zinc/94/50/69/563945069.db2.gz VQHHPORQGOTPQS-UHFFFAOYSA-N 0 0 325.437 4.225 50 0 EIAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H](C)CC2)c1 ZINC000058420917 563945862 /nfs/dbraw/zinc/94/58/62/563945862.db2.gz 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C[C@H](N[C@H](c1nccs1)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000096478558 563955107 /nfs/dbraw/zinc/95/51/07/563955107.db2.gz LMXZPOPDEIHEAL-UGSOOPFHSA-N 0 0 341.480 4.072 50 0 EIAARN Cn1c2ccccc2nc1-c1ccccc1OCCCCn1ccnc1 ZINC000063846516 563956103 /nfs/dbraw/zinc/95/61/03/563956103.db2.gz BIMUJSTVUVCQPE-UHFFFAOYSA-N 0 0 346.434 4.296 50 0 EIAARN C/C=C\c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000096504563 563956303 /nfs/dbraw/zinc/95/63/03/563956303.db2.gz YQZZIKURLJXFPJ-ALCCZGGFSA-N 0 0 325.408 4.363 50 0 EIAARN CCc1cc([C@H]2CCCN2Cc2ccc(OC(C)C)c(OC)c2)on1 ZINC000064666973 563956921 /nfs/dbraw/zinc/95/69/21/563956921.db2.gz PRDUADFXCUSKFE-QGZVFWFLSA-N 0 0 344.455 4.370 50 0 EIAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(OCC)cc2)no1 ZINC000064984554 563957656 /nfs/dbraw/zinc/95/76/56/563957656.db2.gz FLOQBXJLTHEYNS-SFHVURJKSA-N 0 0 343.427 4.395 50 0 EIAARN Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nn1 ZINC000065364183 563958245 /nfs/dbraw/zinc/95/82/45/563958245.db2.gz AFCKYVLIRYSYKE-UHFFFAOYSA-N 0 0 337.358 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344.393 4.139 50 0 EIAARN Clc1ccc2nc(-c3nccn3CCCn3ccnc3)ccc2c1 ZINC000067804264 563962780 /nfs/dbraw/zinc/96/27/80/563962780.db2.gz YBJMSLLMIXVEKR-UHFFFAOYSA-N 0 0 337.814 4.039 50 0 EIAARN Cc1ncnc(NCc2cccnc2Oc2ccc(F)c(F)c2)c1C ZINC000067805699 563962784 /nfs/dbraw/zinc/96/27/84/563962784.db2.gz MMVUSBJKVYFFDG-UHFFFAOYSA-N 0 0 342.349 4.171 50 0 EIAARN CC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)on1 ZINC000067805995 563962832 /nfs/dbraw/zinc/96/28/32/563962832.db2.gz GCULYUFBGDPNHL-UHFFFAOYSA-N 0 0 347.422 4.175 50 0 EIAARN Cc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc2cc(Cl)ccc12 ZINC000067850470 563962863 /nfs/dbraw/zinc/96/28/63/563962863.db2.gz DJOSKXAWGSLHMS-CYBMUJFWSA-N 0 0 326.831 4.304 50 0 EIAARN CC(C)c1cc(C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)[nH]n1 ZINC000067841664 563962887 /nfs/dbraw/zinc/96/28/87/563962887.db2.gz HOPGVKMXEJYXHN-UHFFFAOYSA-N 0 0 342.468 4.096 50 0 EIAARN CCOCC1(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)CCC1 ZINC000067908156 563963030 /nfs/dbraw/zinc/96/30/30/563963030.db2.gz 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CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 ZINC000060672927 563973153 /nfs/dbraw/zinc/97/31/53/563973153.db2.gz LCUHWCBLHRRFBV-UHFFFAOYSA-N 0 0 342.464 4.308 50 0 EIAARN COc1ccc(CNC(=O)/C=C\c2c(Cl)cccc2Cl)cc1 ZINC000033311078 563973553 /nfs/dbraw/zinc/97/35/53/563973553.db2.gz ZGVDLKMAUYCGRX-KTKRTIGZSA-N 0 0 336.218 4.332 50 0 EIAARN O[C@H]1COc2c(F)ccc(F)c2[C@@H]1Sc1ccc(Cl)cc1 ZINC000085221447 563973729 /nfs/dbraw/zinc/97/37/29/563973729.db2.gz XYALFOHXBMXTOG-SWLSCSKDSA-N 0 0 328.767 4.205 50 0 EIAARN O=C(c1ccccc1Cl)c1ccccc1CN1CCSCC1 ZINC000085651675 563973911 /nfs/dbraw/zinc/97/39/11/563973911.db2.gz BZHWTZFKWJGCPF-UHFFFAOYSA-N 0 0 331.868 4.120 50 0 EIAARN COc1cccc2c1CCCCN2C(=O)C[C@H](C)c1c(C)noc1C ZINC000129171810 563974102 /nfs/dbraw/zinc/97/41/02/563974102.db2.gz TXMREUFPLFKAMK-ZDUSSCGKSA-N 0 0 342.439 4.163 50 0 EIAARN CC(C)c1ccc(OCC(=O)NCc2ccc(-c3ccoc3)o2)cc1 ZINC000585148257 563974105 /nfs/dbraw/zinc/97/41/05/563974105.db2.gz UUIVPAYDSCUDGS-UHFFFAOYSA-N 0 0 339.391 4.358 50 0 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345.874 4.310 50 0 EIAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CC(c2cccnc2)C1 ZINC000091665206 563975668 /nfs/dbraw/zinc/97/56/68/563975668.db2.gz SFCDBAQHSQILOM-UHFFFAOYSA-N 0 0 338.794 4.235 50 0 EIAARN Cc1c(C(=O)N2CCC[C@@H]2c2ccccn2)[nH]c2c1c(C)ccc2C ZINC000091892840 563975848 /nfs/dbraw/zinc/97/58/48/563975848.db2.gz HGPMVYHXLUHUOM-QGZVFWFLSA-N 0 0 333.435 4.465 50 0 EIAARN Cc1cccc([C@H](C)n2cc(-c3ccc(C)c4ncccc34)nn2)n1 ZINC000091951678 563975905 /nfs/dbraw/zinc/97/59/05/563975905.db2.gz NFXDFLVFOLHYLR-HNNXBMFYSA-N 0 0 329.407 4.114 50 0 EIAARN Cc1cc2cc(C(=O)N[C@@H]3CCCc4sc(C)nc43)ccc2o1 ZINC000092098218 563976046 /nfs/dbraw/zinc/97/60/46/563976046.db2.gz YLBWPBATBWTAAS-CQSZACIVSA-N 0 0 326.421 4.314 50 0 EIAARN Cc1ccc2c(cccc2NC(=O)c2ccc(Br)o2)n1 ZINC000004815465 563976384 /nfs/dbraw/zinc/97/63/84/563976384.db2.gz ONMRAXFOTCPVCI-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN CCOC(=O)c1cnc2c(OC)cccc2c1NCc1ccccc1 ZINC000000090688 563976511 /nfs/dbraw/zinc/97/65/11/563976511.db2.gz 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563981511 /nfs/dbraw/zinc/98/15/11/563981511.db2.gz XJEMXAAGVDICJJ-UHFFFAOYSA-N 0 0 331.485 4.057 50 0 EIAARN Cc1cc2cccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)c2o1 ZINC000097742996 563981823 /nfs/dbraw/zinc/98/18/23/563981823.db2.gz RFOTYBXHSATAHF-SFHVURJKSA-N 0 0 339.366 4.094 50 0 EIAARN Fc1ccc(-c2n[nH]cc2CN2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000097729516 563981830 /nfs/dbraw/zinc/98/18/30/563981830.db2.gz NPTQMTIQEHHWGJ-SFHVURJKSA-N 0 0 325.362 4.302 50 0 EIAARN O=C1S/C(=C\c2ccccc2F)C(=O)N1Cc1ccccc1F ZINC000098087009 563982212 /nfs/dbraw/zinc/98/22/12/563982212.db2.gz RBNXBDAVYOHOBA-DHDCSXOGSA-N 0 0 331.343 4.201 50 0 EIAARN C[S@@](=O)(=NC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000100217141 563982422 /nfs/dbraw/zinc/98/24/22/563982422.db2.gz RJZADDXGAVESAI-QFIPXVFZSA-N 0 0 333.796 4.383 50 0 EIAARN FC(F)(F)c1ccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)cc1 ZINC000100716278 563982705 /nfs/dbraw/zinc/98/27/05/563982705.db2.gz HAVIERNSKBMMJW-INIZCTEOSA-N 0 0 342.324 4.353 50 0 EIAARN C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000100772606 563982754 /nfs/dbraw/zinc/98/27/54/563982754.db2.gz TWERYHRCEGDWKB-LRDDRELGSA-N 0 0 347.336 4.389 50 0 EIAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2ccc(O)cc2)s1 ZINC000247830506 563982961 /nfs/dbraw/zinc/98/29/61/563982961.db2.gz LGTBRJKPGGVDFV-IKGGRYGDSA-N 0 0 327.449 4.229 50 0 EIAARN O=C1O[C@@H](Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21 ZINC000000100294 563983144 /nfs/dbraw/zinc/98/31/44/563983144.db2.gz UTSJCZWPPQSFOW-OAHLLOKOSA-N 0 0 326.352 4.230 50 0 EIAARN O=C1O[C@H](Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21 ZINC000000100289 563983145 /nfs/dbraw/zinc/98/31/45/563983145.db2.gz UTSJCZWPPQSFOW-HNNXBMFYSA-N 0 0 326.352 4.230 50 0 EIAARN c1csc(-c2nc(CSc3nncn3-c3ccccc3)co2)c1 ZINC000004835167 563984091 /nfs/dbraw/zinc/98/40/91/563984091.db2.gz QTBIYFZYJTUPKK-UHFFFAOYSA-N 0 0 340.433 4.276 50 0 EIAARN Cc1cc(Nc2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2n1 ZINC000014610233 563986129 /nfs/dbraw/zinc/98/61/29/563986129.db2.gz 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CC(C)c1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000005482040 564004610 /nfs/dbraw/zinc/00/46/10/564004610.db2.gz FKZCMTLECRMOBN-HNNXBMFYSA-N 0 0 344.842 4.253 50 0 EIAARN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000005533080 564005122 /nfs/dbraw/zinc/00/51/22/564005122.db2.gz PBFCLASQGPVYCT-UHFFFAOYSA-N 0 0 341.798 4.270 50 0 EIAARN CCc1ccc2c(COC(=O)c3cc4ccccc4[nH]3)cc(=O)oc2c1 ZINC000005531025 564005161 /nfs/dbraw/zinc/00/51/61/564005161.db2.gz NQZLDWWWXRPNGZ-UHFFFAOYSA-N 0 0 347.370 4.194 50 0 EIAARN Cc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000005543728 564005211 /nfs/dbraw/zinc/00/52/11/564005211.db2.gz RETFEUQLJUVZOV-UHFFFAOYSA-N 0 0 343.839 4.343 50 0 EIAARN Cc1cccc(-c2noc(-c3ccccc3C(=O)NCC(C)C)n2)c1 ZINC000005577380 564005818 /nfs/dbraw/zinc/00/58/18/564005818.db2.gz HNJBCVKKSFKSMO-UHFFFAOYSA-N 0 0 335.407 4.098 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000005577844 564005836 /nfs/dbraw/zinc/00/58/36/564005836.db2.gz ZAPFWKUFKGEHAB-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN COc1cc(SC)ccc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000005442954 564005990 /nfs/dbraw/zinc/00/59/90/564005990.db2.gz XJSJKZYEQHTKFU-KRWDZBQOSA-N 0 0 327.449 4.225 50 0 EIAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)c1ccc[nH]1 ZINC000005623525 564006609 /nfs/dbraw/zinc/00/66/09/564006609.db2.gz FYQOCCYLHAWROQ-UHFFFAOYSA-N 0 0 333.416 4.329 50 0 EIAARN Cc1ccc2[nH]c([C@@H](NC(=O)c3ccc(F)cc3)C(C)C)nc2c1 ZINC000005626085 564006640 /nfs/dbraw/zinc/00/66/40/564006640.db2.gz GKTZGFZFUFKXLJ-KRWDZBQOSA-N 0 0 325.387 4.138 50 0 EIAARN C[C@@H](Sc1nc2ccccc2s1)c1nc2ccccc2c(=O)[nH]1 ZINC000005629427 564006742 /nfs/dbraw/zinc/00/67/42/564006742.db2.gz NEPOEZUOSSTEDE-SNVBAGLBSA-N 0 0 339.445 4.386 50 0 EIAARN COc1ccc(N=C2NN=C(c3cc4ccccc4o3)CS2)cc1 ZINC000005637489 564006857 /nfs/dbraw/zinc/00/68/57/564006857.db2.gz XPUGXFZCTOCOPW-UHFFFAOYSA-N 0 0 337.404 4.360 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c(Cl)c1 ZINC000005637374 564006873 /nfs/dbraw/zinc/00/68/73/564006873.db2.gz FGCWDWZGNHEROQ-UHFFFAOYSA-N 0 0 345.826 4.379 50 0 EIAARN COc1ccccc1-c1nnc(CNc2ccccc2OC(C)C)o1 ZINC000062650527 564007051 /nfs/dbraw/zinc/00/70/51/564007051.db2.gz DRSVFZICLXHPTP-UHFFFAOYSA-N 0 0 339.395 4.145 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)N[C@H]2CCSc3ccccc32)s1 ZINC000007989198 564007085 /nfs/dbraw/zinc/00/70/85/564007085.db2.gz JLAKQNRECRVVIP-AWEZNQCLSA-N 0 0 345.489 4.373 50 0 EIAARN CCCNC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 ZINC000008854285 564007204 /nfs/dbraw/zinc/00/72/04/564007204.db2.gz YYQFDVVWQBAORG-UHFFFAOYSA-N 0 0 340.901 4.158 50 0 EIAARN C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1cccc(Cl)c1 ZINC000017289207 564011499 /nfs/dbraw/zinc/01/14/99/564011499.db2.gz IFHGGYDTYPNLCZ-UGSOOPFHSA-N 0 0 328.843 4.011 50 0 EIAARN C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1cccc(Cl)c1 ZINC000017289203 564011508 /nfs/dbraw/zinc/01/15/08/564011508.db2.gz IFHGGYDTYPNLCZ-ACJLOTCBSA-N 0 0 328.843 4.011 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nccnc2c1 ZINC000000445447 564012614 /nfs/dbraw/zinc/01/26/14/564012614.db2.gz DKUWXXQTCIEYEG-UHFFFAOYSA-N 0 0 332.285 4.293 50 0 EIAARN CC(C)CC(=O)N[C@@H](OCc1ccccc1)C(Cl)(Cl)Cl ZINC000003012406 564013526 /nfs/dbraw/zinc/01/35/26/564013526.db2.gz JRDNFZLAYGKQNE-ZDUSSCGKSA-N 0 0 338.662 4.062 50 0 EIAARN Cc1cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)c(C)c(C)c1C ZINC000006383990 564013698 /nfs/dbraw/zinc/01/36/98/564013698.db2.gz CDXCXWOPSMEXQY-UHFFFAOYSA-N 0 0 349.430 4.370 50 0 EIAARN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1 ZINC000016578784 564014517 /nfs/dbraw/zinc/01/45/17/564014517.db2.gz XQDSQRKPGBEYFP-UHFFFAOYSA-N 0 0 343.386 4.491 50 0 EIAARN O=C(Cc1noc(-c2ccccc2Cl)n1)Nc1cccc(Cl)c1 ZINC000016579454 564014570 /nfs/dbraw/zinc/01/45/70/564014570.db2.gz HVYUBJSTMVALHX-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000177733270 564014579 /nfs/dbraw/zinc/01/45/79/564014579.db2.gz ZYIOOBJPKYMFOG-UHFFFAOYSA-N 0 0 339.439 4.340 50 0 EIAARN CCOc1ccc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000206875200 564015304 /nfs/dbraw/zinc/01/53/04/564015304.db2.gz CCCZBENBKHMJEO-QGZVFWFLSA-N 0 0 342.414 4.029 50 0 EIAARN COc1ccc([C@@H]2CCCCN(C(=O)Cc3ccsc3)C2)cc1 ZINC000206885653 564015340 /nfs/dbraw/zinc/01/53/40/564015340.db2.gz AJQCMPNKLSXUIT-QGZVFWFLSA-N 0 0 329.465 4.096 50 0 EIAARN CC=CC=CC(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000207214923 564016862 /nfs/dbraw/zinc/01/68/62/564016862.db2.gz YYRWKDYQHHUJRU-OQIXSKIXSA-N 0 0 335.382 4.364 50 0 EIAARN CCc1nc2ccccc2n1C1CCN(c2ccc(C(C)=O)cn2)CC1 ZINC000180027728 564016954 /nfs/dbraw/zinc/01/69/54/564016954.db2.gz AKGDITICGZJISN-UHFFFAOYSA-N 0 0 348.450 4.038 50 0 EIAARN CC[C@H](C)NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000000489236 564017520 /nfs/dbraw/zinc/01/75/20/564017520.db2.gz ASXWUIINODHLRO-LBPRGKRZSA-N 0 0 341.407 4.003 50 0 biogenic EIAARN Cc1cc(C)n(-c2nc(C)cc(Nc3cccc(C(F)(F)F)c3)n2)n1 ZINC000000495052 564017956 /nfs/dbraw/zinc/01/79/56/564017956.db2.gz NIPNFZCCCATPKC-UHFFFAOYSA-N 0 0 347.344 4.350 50 0 EIAARN Cc1ccccc1NC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000583649068 564018267 /nfs/dbraw/zinc/01/82/67/564018267.db2.gz TVKAFKVMMVHTNF-UHFFFAOYSA-N 0 0 347.422 4.234 50 0 EIAARN CC1=Nc2ccccc2C12CCN(Cc1ncc(Cl)s1)CC2 ZINC000583651990 564018362 /nfs/dbraw/zinc/01/83/62/564018362.db2.gz XRPWAIISWDDZIM-UHFFFAOYSA-N 0 0 331.872 4.436 50 0 EIAARN COc1ccc(CN(C(=O)Nc2ccc(F)cc2F)C2CC2)cc1 ZINC000018182476 564018637 /nfs/dbraw/zinc/01/86/37/564018637.db2.gz OPIHXYSKBWOQFH-UHFFFAOYSA-N 0 0 332.350 4.170 50 0 EIAARN CN(C)c1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 ZINC000005688668 564018803 /nfs/dbraw/zinc/01/88/03/564018803.db2.gz HFCOHWQIHGVGJG-UHFFFAOYSA-N 0 0 340.448 4.250 50 0 EIAARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005688497 564018816 /nfs/dbraw/zinc/01/88/16/564018816.db2.gz XWDRNMXXWKXAOX-GFCCVEGCSA-N 0 0 334.341 4.095 50 0 EIAARN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccco1 ZINC000018235219 564018940 /nfs/dbraw/zinc/01/89/40/564018940.db2.gz RVLBCXXMEMGAQE-UHFFFAOYSA-N 0 0 328.271 4.040 50 0 EIAARN COCCOC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000018257576 564019045 /nfs/dbraw/zinc/01/90/45/564019045.db2.gz SMNHPSXIWLSABU-BUHFOSPRSA-N 0 0 349.386 4.118 50 0 EIAARN Cc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000000507616 564019750 /nfs/dbraw/zinc/01/97/50/564019750.db2.gz DKAUTBMKQPDRNJ-FQEVSTJZSA-N 0 0 340.382 4.314 50 0 EIAARN CCn1c2ccccc2c(C(=O)COC(=O)C2CC2)c1-c1ccccc1 ZINC000005711195 564020705 /nfs/dbraw/zinc/02/07/05/564020705.db2.gz FQPCLSYPJNJEEP-UHFFFAOYSA-N 0 0 347.414 4.464 50 0 EIAARN CCCCC(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000005711526 564020709 /nfs/dbraw/zinc/02/07/09/564020709.db2.gz FREHSFWPSONFQC-UHFFFAOYSA-N 0 0 328.803 4.203 50 0 EIAARN Cc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000000521280 564021042 /nfs/dbraw/zinc/02/10/42/564021042.db2.gz ZFOKFIWEZUUGHG-GOSISDBHSA-N 0 0 347.505 4.048 50 0 EIAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1 ZINC000000530982 564021422 /nfs/dbraw/zinc/02/14/22/564021422.db2.gz XAMFNQMZKVBLAZ-HNNXBMFYSA-N 0 0 349.434 4.146 50 0 EIAARN COc1cc(C)c(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC ZINC000014125072 564021455 /nfs/dbraw/zinc/02/14/55/564021455.db2.gz HESJDKULUTWDNN-UHFFFAOYSA-N 0 0 338.407 4.363 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2F)c(C)c1 ZINC000014256167 564021688 /nfs/dbraw/zinc/02/16/88/564021688.db2.gz NMZJRARHVHDTIN-UHFFFAOYSA-N 0 0 327.808 4.205 50 0 EIAARN CC1(C)Cc2c(sc3nc(-c4ccc(Cl)cc4)oc(=O)c32)CO1 ZINC000000544053 564022536 /nfs/dbraw/zinc/02/25/36/564022536.db2.gz MSIZMLLWZNQALN-UHFFFAOYSA-N 0 0 347.823 4.421 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)sc1C ZINC000024549133 564023354 /nfs/dbraw/zinc/02/33/54/564023354.db2.gz GHOZGCYHEPPNBG-UHFFFAOYSA-N 0 0 331.441 4.147 50 0 EIAARN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccco1 ZINC000000570038 564023517 /nfs/dbraw/zinc/02/35/17/564023517.db2.gz UZIPRWIFWKXFES-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000014796933 564023904 /nfs/dbraw/zinc/02/39/04/564023904.db2.gz LLRUVKLZUOODLY-UHFFFAOYSA-N 0 0 345.324 4.159 50 0 EIAARN COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000015538945 564024282 /nfs/dbraw/zinc/02/42/82/564024282.db2.gz SGAQSDUZTRPFNM-FZXOMJPYSA-N 0 0 337.419 4.081 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)n[nH]2)cc1 ZINC000051315490 564024308 /nfs/dbraw/zinc/02/43/08/564024308.db2.gz LFPRBYWRSLPNLE-UHFFFAOYSA-N 0 0 339.370 4.175 50 0 EIAARN Cc1cc(CN(C)C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)no1 ZINC000046898634 564025469 /nfs/dbraw/zinc/02/54/69/564025469.db2.gz RVOUWPUPCJFBCU-KRWDZBQOSA-N 0 0 347.434 4.441 50 0 EIAARN Cc1cc(C)cc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn32)c1 ZINC000046913936 564025492 /nfs/dbraw/zinc/02/54/92/564025492.db2.gz ZILJMOFNDMABDU-UHFFFAOYSA-N 0 0 333.395 4.362 50 0 EIAARN CC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 ZINC000047001695 564025655 /nfs/dbraw/zinc/02/56/55/564025655.db2.gz OGZVZCKDSIILBG-LJQANCHMSA-N 0 0 342.508 4.107 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@H]1c1ccccc1F ZINC000110567673 564025714 /nfs/dbraw/zinc/02/57/14/564025714.db2.gz ZDPFMJGASHZKJV-WAOWUJCRSA-N 0 0 346.405 4.230 50 0 EIAARN COC(=O)Nc1ccc(CNC(=O)c2cc3ccccc3s2)cc1 ZINC000047373922 564026194 /nfs/dbraw/zinc/02/61/94/564026194.db2.gz WGGVYWCOCCIACQ-UHFFFAOYSA-N 0 0 340.404 4.010 50 0 EIAARN CCc1ccc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc1 ZINC000047375294 564026201 /nfs/dbraw/zinc/02/62/01/564026201.db2.gz SZEAQVAYXGDSTG-UHFFFAOYSA-N 0 0 325.412 4.031 50 0 EIAARN COc1cccc2c1N(C(=O)c1cc(C)nc3ccccc31)CCC2 ZINC000047447433 564026326 /nfs/dbraw/zinc/02/63/26/564026326.db2.gz ZBWVLPZEFVMARL-UHFFFAOYSA-N 0 0 332.403 4.145 50 0 EIAARN CCOc1cc(Nc2ccc(NC(=O)C(CC)CC)cc2)nc(C)n1 ZINC000012225357 564026729 /nfs/dbraw/zinc/02/67/29/564026729.db2.gz MOXNLTIJLZPDCV-UHFFFAOYSA-N 0 0 342.443 4.302 50 0 EIAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)c1 ZINC000085806627 564027068 /nfs/dbraw/zinc/02/70/68/564027068.db2.gz NDPBJPKQDCCSSD-QGZVFWFLSA-N 0 0 349.390 4.013 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3Cl)[nH]n2)cc1 ZINC000044839088 564027388 /nfs/dbraw/zinc/02/73/88/564027388.db2.gz NBPUZCBPORGUND-UHFFFAOYSA-N 0 0 343.789 4.108 50 0 EIAARN Cc1[nH]nc2c1[C@H](c1cccc(C(F)(F)F)c1)SCC(=O)N2 ZINC000044903452 564027646 /nfs/dbraw/zinc/02/76/46/564027646.db2.gz BVYZILSBCUAWGF-LBPRGKRZSA-N 0 0 327.331 4.161 50 0 EIAARN O=C(Nc1ccccn1)c1ccc2ccn(Cc3ccccc3)c2c1 ZINC000044921457 564027746 /nfs/dbraw/zinc/02/77/46/564027746.db2.gz VSMSIMJBKVFEOX-UHFFFAOYSA-N 0 0 327.387 4.337 50 0 EIAARN CCN(C(=O)c1cnn(-c2ccccc2F)c1C)c1cccc(F)c1 ZINC000045515870 564028490 /nfs/dbraw/zinc/02/84/90/564028490.db2.gz XZHGRGXAXHLSQB-UHFFFAOYSA-N 0 0 341.361 4.126 50 0 EIAARN CCCCc1nc(CN2CCC([C@@H](O)c3ccccc3)CC2)cs1 ZINC000045914059 564028872 /nfs/dbraw/zinc/02/88/72/564028872.db2.gz VDRWWFKXLAFCFI-FQEVSTJZSA-N 0 0 344.524 4.431 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1ccsc1 ZINC000045975967 564029031 /nfs/dbraw/zinc/02/90/31/564029031.db2.gz FEQYXQGUBTUUIH-OAHLLOKOSA-N 0 0 344.436 4.278 50 0 EIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC000046018549 564029291 /nfs/dbraw/zinc/02/92/91/564029291.db2.gz SVLIWOMKVFXXSN-KRWDZBQOSA-N 0 0 344.386 4.212 50 0 EIAARN CC[C@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1ccccc1 ZINC000046078096 564029469 /nfs/dbraw/zinc/02/94/69/564029469.db2.gz OHBNTJXASHUQJQ-KRWDZBQOSA-N 0 0 327.819 4.053 50 0 EIAARN C[C@@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)c1cccnc1 ZINC000047751555 564029724 /nfs/dbraw/zinc/02/97/24/564029724.db2.gz JWPVSOSGWHQPKB-SECBINFHSA-N 0 0 334.206 4.361 50 0 EIAARN O=C(Nc1ccc2c(c1)CCCN2)c1sccc1Br ZINC000111533966 564029863 /nfs/dbraw/zinc/02/98/63/564029863.db2.gz DNJPIFKROXHKSD-UHFFFAOYSA-N 0 0 337.242 4.121 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)o1 ZINC000048043453 564029868 /nfs/dbraw/zinc/02/98/68/564029868.db2.gz WLERVQQLVFPHQM-DOMZBBRYSA-N 0 0 339.395 4.211 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)o1 ZINC000048043459 564029878 /nfs/dbraw/zinc/02/98/78/564029878.db2.gz WLERVQQLVFPHQM-IUODEOHRSA-N 0 0 339.395 4.211 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000048012747 564029930 /nfs/dbraw/zinc/02/99/30/564029930.db2.gz XNPCIIPHPHAKII-INIZCTEOSA-N 0 0 344.436 4.294 50 0 EIAARN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccccn1 ZINC000048189231 564030037 /nfs/dbraw/zinc/03/00/37/564030037.db2.gz UVVSYCHRICKAKL-SNVBAGLBSA-N 0 0 341.263 4.185 50 0 EIAARN COc1ccc(C)cc1[C@H](C)NCc1c(Cl)nc2ccccn21 ZINC000048260473 564030323 /nfs/dbraw/zinc/03/03/23/564030323.db2.gz KOPAGVNVQIFKIZ-ZDUSSCGKSA-N 0 0 329.831 4.156 50 0 EIAARN O=C(Nc1cccc(COCc2ccco2)c1)OCC(F)(F)F ZINC000048312854 564031010 /nfs/dbraw/zinc/03/10/10/564031010.db2.gz UTEZQKMPJMUABV-UHFFFAOYSA-N 0 0 329.274 4.107 50 0 EIAARN O=C(Nc1cccc(CNCc2c(F)cccc2Cl)c1)C1CC1 ZINC000048332667 564031088 /nfs/dbraw/zinc/03/10/88/564031088.db2.gz RLTKLEUEOUJIJS-UHFFFAOYSA-N 0 0 332.806 4.117 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cscn3)ccc2c1 ZINC000048340947 564031202 /nfs/dbraw/zinc/03/12/02/564031202.db2.gz MSSFAMLYOFJECE-ZDUSSCGKSA-N 0 0 340.448 4.067 50 0 EIAARN Cc1ccc2oc(C(=O)Nc3c(F)cccc3N3CCCC3)cc2n1 ZINC000067168059 564031965 /nfs/dbraw/zinc/03/19/65/564031965.db2.gz GZXIEFNFYMGXSY-UHFFFAOYSA-N 0 0 339.370 4.128 50 0 EIAARN CCc1nc(-n2cccc2)sc1C(=O)NCc1cccc(Cl)c1 ZINC000049006252 564032387 /nfs/dbraw/zinc/03/23/87/564032387.db2.gz JMRTVOXORVIBRW-UHFFFAOYSA-N 0 0 345.855 4.080 50 0 EIAARN O=C(Nc1ccccc1F)N1CCc2cc(Br)ccc21 ZINC000049337089 564032710 /nfs/dbraw/zinc/03/27/10/564032710.db2.gz OIARYVSDRMLGKX-UHFFFAOYSA-N 0 0 335.176 4.183 50 0 EIAARN CCCc1nc(-n2cccc2)sc1C(=O)Nc1nc(C)c(C)s1 ZINC000049547756 564032778 /nfs/dbraw/zinc/03/27/78/564032778.db2.gz MFXGWHPNHAXIHM-UHFFFAOYSA-N 0 0 346.481 4.212 50 0 EIAARN O=C1C[C@H](c2cccnc2)c2cnn(Cc3ccc(Cl)cc3)c2N1 ZINC000049544618 564032784 /nfs/dbraw/zinc/03/27/84/564032784.db2.gz UUCIXQPITXWZBI-OAHLLOKOSA-N 0 0 338.798 4.103 50 0 EIAARN Clc1cccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)c1 ZINC000049600881 564032796 /nfs/dbraw/zinc/03/27/96/564032796.db2.gz BUWFDXSKUQZGKF-UHFFFAOYSA-N 0 0 348.837 4.497 50 0 EIAARN CCOC(=O)c1nc2ccccc2nc1NC[C@H](C)c1ccccc1 ZINC000049524227 564032819 /nfs/dbraw/zinc/03/28/19/564032819.db2.gz HFBCVTKDDHVWEM-AWEZNQCLSA-N 0 0 335.407 4.022 50 0 EIAARN CCOC(=O)Nc1cccc(C(=O)N2CCCCc3ccccc32)c1 ZINC000049726651 564032890 /nfs/dbraw/zinc/03/28/90/564032890.db2.gz CDIBABRHBPTHNP-UHFFFAOYSA-N 0 0 338.407 4.238 50 0 EIAARN CN(Cc1cscn1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000184385032 564032963 /nfs/dbraw/zinc/03/29/63/564032963.db2.gz GEGVCTPZQUYXPV-UHFFFAOYSA-N 0 0 347.774 4.062 50 0 EIAARN O=C(COc1ccccc1Cc1ccccc1)NCC1CCCCC1 ZINC000006639831 564033301 /nfs/dbraw/zinc/03/33/01/564033301.db2.gz IGOBSGNRZUBECY-UHFFFAOYSA-N 0 0 337.463 4.353 50 0 EIAARN CCN1CCSc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc21 ZINC000006802656 564033575 /nfs/dbraw/zinc/03/35/75/564033575.db2.gz HVBPVBFWCFTMOL-HNNXBMFYSA-N 0 0 340.492 4.152 50 0 EIAARN CCc1c(C(=O)N[C@@H](C)CCC(C)C)cnn1-c1ccc(F)cc1 ZINC000024757302 564033622 /nfs/dbraw/zinc/03/36/22/564033622.db2.gz YREYKRKXUNGQPC-AWEZNQCLSA-N 0 0 331.435 4.128 50 0 EIAARN Cc1cc(C)n(-c2ccccc2NC(=O)N(C)C(C2CC2)C2CC2)n1 ZINC000051612425 564033832 /nfs/dbraw/zinc/03/38/32/564033832.db2.gz QSZSEAFQXOAJPW-UHFFFAOYSA-N 0 0 338.455 4.141 50 0 EIAARN CSc1ncc(C(=O)N[C@@H](C)c2ccccc2)c(-c2ccccc2)n1 ZINC000006938152 564033869 /nfs/dbraw/zinc/03/38/69/564033869.db2.gz VTOWUVOQPXLCPE-AWEZNQCLSA-N 0 0 349.459 4.357 50 0 EIAARN COc1ccc(C(=O)OCc2ccc(C(C)C)cc2)c(OC)c1OC ZINC000007009390 564033915 /nfs/dbraw/zinc/03/39/15/564033915.db2.gz GBWWLEPOXGBYQU-UHFFFAOYSA-N 0 0 344.407 4.193 50 0 EIAARN Cc1c(C(=O)N[C@H](C)c2ccccc2C)cnn1-c1ccc(C)cc1 ZINC000024831401 564034005 /nfs/dbraw/zinc/03/40/05/564034005.db2.gz IQFJWEGUJNREHC-MRXNPFEDSA-N 0 0 333.435 4.289 50 0 EIAARN COc1cccc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1 ZINC000000393104 564034037 /nfs/dbraw/zinc/03/40/37/564034037.db2.gz OOOSPUHBGRSAHM-UHFFFAOYSA-N 0 0 348.354 4.134 50 0 EIAARN O=C(Nc1ncnc2sc3c(c21)CCCC3)c1c(F)cccc1F ZINC000003175382 564034279 /nfs/dbraw/zinc/03/42/79/564034279.db2.gz WRULFHXDYLJKQE-UHFFFAOYSA-N 0 0 345.374 4.101 50 0 EIAARN Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000000800776 564034469 /nfs/dbraw/zinc/03/44/69/564034469.db2.gz WIGPXJAJZITWLJ-UHFFFAOYSA-N 0 0 336.391 4.033 50 0 EIAARN Cn1ccc2cc(C(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)ccc21 ZINC000604419401 564034869 /nfs/dbraw/zinc/03/48/69/564034869.db2.gz JTXUAVDTJDOYDX-IBGZPJMESA-N 0 0 343.430 4.467 50 0 EIAARN CCOc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000008239377 564034956 /nfs/dbraw/zinc/03/49/56/564034956.db2.gz INIUTSIQRCNNNL-ZDUSSCGKSA-N 0 0 339.391 4.331 50 0 EIAARN CCCC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1cccnc1 ZINC000222466540 564036880 /nfs/dbraw/zinc/03/68/80/564036880.db2.gz RFHJQLWFRRYVRW-MRXNPFEDSA-N 0 0 332.831 4.031 50 0 EIAARN COc1cccc(-c2cccc(C(=O)N(C)C3CCSCC3)c2)c1 ZINC000222531009 564036889 /nfs/dbraw/zinc/03/68/89/564036889.db2.gz NMSWNUVNWHVCIR-UHFFFAOYSA-N 0 0 341.476 4.330 50 0 EIAARN CC[C@H](NC(=O)c1ccc(-c2cccc(F)c2)cc1)c1nc(C)no1 ZINC000223415992 564039900 /nfs/dbraw/zinc/03/99/00/564039900.db2.gz FWYKRJBBOSLJBG-KRWDZBQOSA-N 0 0 339.370 4.065 50 0 EIAARN COc1ccc(C(=O)[O-])nc1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000223624755 564040479 /nfs/dbraw/zinc/04/04/79/564040479.db2.gz WZBZBRHSAMSFFV-AWEZNQCLSA-N 0 0 340.423 4.002 50 0 EIAARN OCCCC[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2OCCC[C@@H]12 ZINC000601008691 564043200 /nfs/dbraw/zinc/04/32/00/564043200.db2.gz RROYEMKQPPGUAQ-NKFCBESUSA-N 0 0 330.255 4.418 50 0 EIAARN C[C@H](NC(=O)C(C)(C)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000040059906 564044873 /nfs/dbraw/zinc/04/48/73/564044873.db2.gz BGXGIENLJURYQP-ZDUSSCGKSA-N 0 0 333.378 4.443 50 0 EIAARN Cc1nccn1-c1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000028306050 564045830 /nfs/dbraw/zinc/04/58/30/564045830.db2.gz UCUOOVYCNDMTMI-UHFFFAOYSA-N 0 0 326.787 4.478 50 0 EIAARN Fc1cccc([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 ZINC000225563551 564047861 /nfs/dbraw/zinc/04/78/61/564047861.db2.gz UUDMIWGNGBAJMN-HNNXBMFYSA-N 0 0 326.400 4.081 50 0 EIAARN Fc1cccc(C2(CNc3nc4c(cccc4F)o3)CCOCC2)c1 ZINC000225592741 564048109 /nfs/dbraw/zinc/04/81/09/564048109.db2.gz STSHRMKPRNJRLB-UHFFFAOYSA-N 0 0 344.361 4.266 50 0 EIAARN O=C(OCc1ccc(Cl)nc1Cl)c1ccc2ncccc2c1 ZINC000225691363 564049427 /nfs/dbraw/zinc/04/94/27/564049427.db2.gz PFBLUOBNEBBHLM-UHFFFAOYSA-N 0 0 333.174 4.294 50 0 EIAARN Cc1ccsc1-c1nn2c(nnc2-c2cccc(F)c2F)s1 ZINC000012390434 564050005 /nfs/dbraw/zinc/05/00/05/564050005.db2.gz DOKUSHOORPRRCC-UHFFFAOYSA-N 0 0 334.376 4.168 50 0 EIAARN Cc1nc(/C=C\C(=O)NN(c2ccccc2)c2ccccc2)cs1 ZINC000096401417 564050022 /nfs/dbraw/zinc/05/00/22/564050022.db2.gz SPFOAPHIRFDBKG-SEYXRHQNSA-N 0 0 335.432 4.334 50 0 EIAARN Cc1ccc(C)n1-c1nc2ccc(C(=O)NC(C)(C)C)cc2s1 ZINC000012391169 564050088 /nfs/dbraw/zinc/05/00/88/564050088.db2.gz NZJWOYUBIYZVKY-UHFFFAOYSA-N 0 0 327.453 4.232 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)Oc4ccccc43)no2)cc1 ZINC000041155566 564050413 /nfs/dbraw/zinc/05/04/13/564050413.db2.gz MAYMLYQJTIEQNY-CQSZACIVSA-N 0 0 334.375 4.078 50 0 EIAARN O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1NCc1cccnc1 ZINC000081729005 564051144 /nfs/dbraw/zinc/05/11/44/564051144.db2.gz UQQYEGHPONHMLC-UHFFFAOYSA-N 0 0 342.402 4.427 50 0 EIAARN CCOc1c(CN(C)C(=O)N[C@H](C)c2cccs2)cccc1OC ZINC000426642906 564051447 /nfs/dbraw/zinc/05/14/47/564051447.db2.gz NXLGNVQLZNXYHQ-CYBMUJFWSA-N 0 0 348.468 4.058 50 0 EIAARN Cc1cc(C[N@H+](C)CC(=O)[O-])cc(C)c1OCc1ccccc1Cl ZINC000237183068 564051463 /nfs/dbraw/zinc/05/14/63/564051463.db2.gz BFDYREIHUPKQBB-UHFFFAOYSA-N 0 0 347.842 4.052 50 0 EIAARN Cc1cccc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000240902745 564051840 /nfs/dbraw/zinc/05/18/40/564051840.db2.gz IVAGFFGKILMRMR-GOEBONIOSA-N 0 0 332.444 4.017 50 0 EIAARN CC(C)(C)c1cnc(CNc2ccc3c(c2)CCCC(=O)N3)s1 ZINC000241409057 564052012 /nfs/dbraw/zinc/05/20/12/564052012.db2.gz NEGGYXJJHCJVNS-UHFFFAOYSA-N 0 0 329.469 4.328 50 0 EIAARN C[C@@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1Cl ZINC000005796552 564052215 /nfs/dbraw/zinc/05/22/15/564052215.db2.gz UFEYRBWLJDOAEH-SNVBAGLBSA-N 0 0 334.807 4.308 50 0 EIAARN Cc1cc(C(=O)N2CCn3cccc3[C@H]2c2cccs2)ccc1F ZINC000086012791 564053063 /nfs/dbraw/zinc/05/30/63/564053063.db2.gz CTVAGGLFZMYSDF-SFHVURJKSA-N 0 0 340.423 4.243 50 0 EIAARN CCc1cccc(NC(=O)c2nc(C)n(-c3cccc(Cl)c3)n2)c1 ZINC000252498666 564053525 /nfs/dbraw/zinc/05/35/25/564053525.db2.gz RHTGTUDGABQJKM-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN Cc1nc(C(=O)Nc2ccc(C)c(C)c2)nn1-c1cccc(Cl)c1 ZINC000252507360 564053532 /nfs/dbraw/zinc/05/35/32/564053532.db2.gz WJCZKSFFYHIKAZ-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN COc1ccc(C(=O)n2nc(-c3ccccc3)c3ccccc32)cc1 ZINC000000990211 564053829 /nfs/dbraw/zinc/05/38/29/564053829.db2.gz ZBHMYUPYSJRSGD-UHFFFAOYSA-N 0 0 328.371 4.400 50 0 EIAARN Cc1ccccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000005815818 564056025 /nfs/dbraw/zinc/05/60/25/564056025.db2.gz XCOKWQNMHNCHLH-OAHLLOKOSA-N 0 0 346.839 4.090 50 0 EIAARN CC(=O)c1c(C)n(-c2ccccc2)c2cc3c(cc21)occ(C=O)c3=O ZINC000261490988 564056138 /nfs/dbraw/zinc/05/61/38/564056138.db2.gz VBXHEXHNXZQVDT-UHFFFAOYSA-N 0 0 345.354 4.060 50 0 EIAARN COc1ccc2cc(Br)n(C(=O)OC(C)(C)C)c2c1 ZINC000261493715 564056172 /nfs/dbraw/zinc/05/61/72/564056172.db2.gz HUAPBLFZFMPASN-UHFFFAOYSA-N 0 0 326.190 4.196 50 0 EIAARN Nc1c(-c2ncc(C(F)(F)F)cc2Cl)cnn1-c1ccccc1 ZINC000261494947 564056199 /nfs/dbraw/zinc/05/61/99/564056199.db2.gz WQHLGZRJRGMGEM-UHFFFAOYSA-N 0 0 338.720 4.189 50 0 EIAARN O=C(NCCc1nc(C2CCCCC2)cs1)c1cc(C2CC2)no1 ZINC000333415308 564056246 /nfs/dbraw/zinc/05/62/46/564056246.db2.gz DXAALDDGMHTNPG-UHFFFAOYSA-N 0 0 345.468 4.029 50 0 EIAARN CCc1ccc(C2=NNC(=Nc3cccc(OC)c3)SC2)cc1 ZINC000005859487 564056669 /nfs/dbraw/zinc/05/66/69/564056669.db2.gz LHITUCPTCHXQOW-UHFFFAOYSA-N 0 0 325.437 4.177 50 0 EIAARN O=C(OCc1ncc(-c2ccccc2)o1)c1c(F)cccc1Cl ZINC000005872517 564056759 /nfs/dbraw/zinc/05/67/59/564056759.db2.gz SRILAZDDSPDVQF-UHFFFAOYSA-N 0 0 331.730 4.491 50 0 EIAARN CCC(CC)n1nc(C(=O)N[C@@H]2CCCOc3ccccc32)cc1C ZINC000183414605 564057212 /nfs/dbraw/zinc/05/72/12/564057212.db2.gz AKNJKOZYAGUMHR-QGZVFWFLSA-N 0 0 341.455 4.196 50 0 EIAARN O=C(Cc1ccc(F)cc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000005966156 564057369 /nfs/dbraw/zinc/05/73/69/564057369.db2.gz PECYYYJUTVHQOP-UHFFFAOYSA-N 0 0 329.705 4.262 50 0 EIAARN Cc1cc(NC(=O)C2(c3cccc(F)c3)CCC2)nc(C(C)C)n1 ZINC000063440162 564057496 /nfs/dbraw/zinc/05/74/96/564057496.db2.gz ZOXMWMCPFMBDPG-UHFFFAOYSA-N 0 0 327.403 4.108 50 0 EIAARN Cc1cc(C)n(Cc2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2)n1 ZINC000063450549 564057499 /nfs/dbraw/zinc/05/74/99/564057499.db2.gz DVJJBITYWJODAH-KRWDZBQOSA-N 0 0 345.446 4.140 50 0 EIAARN O=C(CCc1cccnc1)Nc1ccc(SCc2cccnc2)cc1 ZINC000012510031 564058053 /nfs/dbraw/zinc/05/80/53/564058053.db2.gz BQCSDNXYPXSMNK-UHFFFAOYSA-N 0 0 349.459 4.340 50 0 EIAARN CC(C)(C)C(=O)OCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000001912347 564058081 /nfs/dbraw/zinc/05/80/81/564058081.db2.gz YLILNUSTSFYDJM-UHFFFAOYSA-N 0 0 349.434 4.298 50 0 EIAARN CCCc1noc([C@H](C)Sc2ncc(-c3ccccc3)n2C)n1 ZINC000012525265 564058127 /nfs/dbraw/zinc/05/81/27/564058127.db2.gz UIDZXEGDFMUTDS-LBPRGKRZSA-N 0 0 328.441 4.276 50 0 EIAARN O=C(Cc1cn2ccsc2n1)Nc1ccc2oc3ccccc3c2c1 ZINC000012530675 564058209 /nfs/dbraw/zinc/05/82/09/564058209.db2.gz IDAGKXVWDBOWKM-UHFFFAOYSA-N 0 0 347.399 4.476 50 0 EIAARN C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)c1nccs1 ZINC000086509028 564058265 /nfs/dbraw/zinc/05/82/65/564058265.db2.gz KFZGNWRZNDFOBI-WDEREUQCSA-N 0 0 325.275 4.187 50 0 EIAARN C[C@@H](NC(=O)c1ccc2c3c(cccc31)CC2)c1nc2ccccc2[nH]1 ZINC000012538572 564058474 /nfs/dbraw/zinc/05/84/74/564058474.db2.gz VHFAHDIGSJEKMQ-CYBMUJFWSA-N 0 0 341.414 4.306 50 0 EIAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)c1cccs1 ZINC000003269270 564058835 /nfs/dbraw/zinc/05/88/35/564058835.db2.gz DZGLPSGIDPORJV-UHFFFAOYSA-N 0 0 332.396 4.125 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)cs1 ZINC000012546096 564058859 /nfs/dbraw/zinc/05/88/59/564058859.db2.gz NZNPTTNCXDHGGB-UHFFFAOYSA-N 0 0 337.448 4.437 50 0 EIAARN Cc1c2ccccc2oc1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000003283834 564059001 /nfs/dbraw/zinc/05/90/01/564059001.db2.gz LBDWEAZNATYYMV-UHFFFAOYSA-N 0 0 328.751 4.434 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Oc3ccccc3Cl)cc2)n1 ZINC000003284590 564059022 /nfs/dbraw/zinc/05/90/22/564059022.db2.gz DRHILKGUACXEEP-UHFFFAOYSA-N 0 0 326.783 4.362 50 0 EIAARN Cc1cc(OCC(=O)NCCCSc2ccccc2)ccc1Cl ZINC000003339687 564059291 /nfs/dbraw/zinc/05/92/91/564059291.db2.gz YHIBQZOGXJVHCJ-UHFFFAOYSA-N 0 0 349.883 4.326 50 0 EIAARN CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1OCC ZINC000003343191 564059319 /nfs/dbraw/zinc/05/93/19/564059319.db2.gz XVEPOBOIAKUTMZ-UHFFFAOYSA-N 0 0 325.408 4.154 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccncc1 ZINC000012558214 564059398 /nfs/dbraw/zinc/05/93/98/564059398.db2.gz QEFFGWYGMJBFKW-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN Cc1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1F ZINC000003398383 564059549 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/nfs/dbraw/zinc/07/27/32/564072732.db2.gz RJMJXHJHNGSSRY-UHFFFAOYSA-N 0 0 344.823 4.085 50 0 EIAARN CC(C)Cc1nc(C(=O)N(C)c2nc3ccccc3s2)cs1 ZINC000063575044 564073235 /nfs/dbraw/zinc/07/32/35/564073235.db2.gz XNTNHKONYDKJQW-UHFFFAOYSA-N 0 0 331.466 4.228 50 0 EIAARN COc1ccccc1NC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012819120 564073281 /nfs/dbraw/zinc/07/32/81/564073281.db2.gz JDPKYBWNIGJWND-CYBMUJFWSA-N 0 0 332.400 4.193 50 0 EIAARN Cc1ccccc1C(=O)N1CCC(CSc2ccccn2)CC1 ZINC000085472292 564073439 /nfs/dbraw/zinc/07/34/39/564073439.db2.gz IIBKZMOTDYIMFO-UHFFFAOYSA-N 0 0 326.465 4.035 50 0 EIAARN Cc1nc(C(=O)NCCCc2ccccc2)cc2c3ccccc3[nH]c21 ZINC000006075828 564073523 /nfs/dbraw/zinc/07/35/23/564073523.db2.gz PAANQTGBEZAWGJ-UHFFFAOYSA-N 0 0 343.430 4.387 50 0 biogenic EIAARN Cc1oc(-c2ccccc2C)nc1CNC(=O)NCCc1ccccc1 ZINC000015774658 564073823 /nfs/dbraw/zinc/07/38/23/564073823.db2.gz XRMCILCTGMWLCM-UHFFFAOYSA-N 0 0 349.434 4.000 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(C)c2)c(OC)c1 ZINC000015829410 564075764 /nfs/dbraw/zinc/07/57/64/564075764.db2.gz QMPVCKHZSSNXEF-IBGZPJMESA-N 0 0 339.435 4.298 50 0 EIAARN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 ZINC000257346589 564076574 /nfs/dbraw/zinc/07/65/74/564076574.db2.gz VGIBLOMXKRYQHG-PJVNQZCDSA-N 0 0 330.468 4.140 50 0 EIAARN CC(C)c1ccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000012873400 564076607 /nfs/dbraw/zinc/07/66/07/564076607.db2.gz JTDTUMBFVPETHW-OAQYLSRUSA-N 0 0 336.479 4.262 50 0 EIAARN Cc1ccc(-c2noc(-c3cc4cc(Cl)ccc4oc3=O)n2)cc1 ZINC000012879955 564076799 /nfs/dbraw/zinc/07/67/99/564076799.db2.gz KMQQAVFUJKFNBX-UHFFFAOYSA-N 0 0 338.750 4.472 50 0 EIAARN Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccc2ccccc21 ZINC000015859082 564076828 /nfs/dbraw/zinc/07/68/28/564076828.db2.gz AEHNGCOVTZRGTO-UHFFFAOYSA-N 0 0 348.793 4.022 50 0 EIAARN Cc1cc(C)cc(NC(=O)C2=CCN(Cc3ccccc3F)CC2)c1 ZINC000015861028 564076920 /nfs/dbraw/zinc/07/69/20/564076920.db2.gz YDWFRFWEBTUEAF-UHFFFAOYSA-N 0 0 338.426 4.213 50 0 EIAARN O=C(c1ccc(-c2cscn2)cc1)N(Cc1cccnc1)C1CC1 ZINC000087055072 564076991 /nfs/dbraw/zinc/07/69/91/564076991.db2.gz APJNTSQLIIXFBK-UHFFFAOYSA-N 0 0 335.432 4.010 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)c1C ZINC000015882975 564077445 /nfs/dbraw/zinc/07/74/45/564077445.db2.gz JHCPXCLVPNULTR-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(F)cc1F ZINC000012883495 564077466 /nfs/dbraw/zinc/07/74/66/564077466.db2.gz ZQIKSEHDLFKJSD-UHFFFAOYSA-N 0 0 328.318 4.109 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000012899605 564077660 /nfs/dbraw/zinc/07/76/60/564077660.db2.gz BMFYQJFYZDKKFP-CXAGYDPISA-N 0 0 345.439 4.255 50 0 EIAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2ccccc2F)o1 ZINC000012902560 564077711 /nfs/dbraw/zinc/07/77/11/564077711.db2.gz IMRUEBQYOCHUKZ-MRXNPFEDSA-N 0 0 337.350 4.339 50 0 EIAARN NC(=O)c1ccccc1Oc1nc2ccccc2c(-c2ccccc2)n1 ZINC000012908558 564077901 /nfs/dbraw/zinc/07/79/01/564077901.db2.gz XKMHQIHHXHBVJG-UHFFFAOYSA-N 0 0 341.370 4.188 50 0 EIAARN Cc1c([C@@H](C)NC(=O)C(C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000012913763 564077985 /nfs/dbraw/zinc/07/79/85/564077985.db2.gz DANOWBQLUPYAGR-LLVKDONJSA-N 0 0 339.361 4.033 50 0 EIAARN CC[C@@H](NC(=O)CCC(=O)c1ccc(C)s1)c1ccc(OC)cc1 ZINC000012915007 564078039 /nfs/dbraw/zinc/07/80/39/564078039.db2.gz LHZLAYZFXJLGGM-MRXNPFEDSA-N 0 0 345.464 4.296 50 0 EIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C)cc3)c12 ZINC000012924727 564078479 /nfs/dbraw/zinc/07/84/79/564078479.db2.gz ZVGJRQKFYGTAMI-UHFFFAOYSA-N 0 0 333.347 4.352 50 0 EIAARN Cc1cccc(-c2nc(SCC(=O)c3ccc(Cl)s3)n[nH]2)c1 ZINC000012925359 564078497 /nfs/dbraw/zinc/07/84/97/564078497.db2.gz PPRSZDXTXSIHBV-UHFFFAOYSA-N 0 0 349.868 4.470 50 0 EIAARN O=S(=O)(Nc1ccccc1)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000015942513 564078625 /nfs/dbraw/zinc/07/86/25/564078625.db2.gz AUFGNLWLQGSDHT-UHFFFAOYSA-N 0 0 340.404 4.020 50 0 EIAARN COc1cc(NC(=O)c2c(C)oc3ccccc32)cc(OC)c1OC ZINC000074745839 564079059 /nfs/dbraw/zinc/07/90/59/564079059.db2.gz QGUYSEDNANNRKW-UHFFFAOYSA-N 0 0 341.363 4.019 50 0 EIAARN CSc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000012936052 564079277 /nfs/dbraw/zinc/07/92/77/564079277.db2.gz KJSBBFKZFBQLSN-UHFFFAOYSA-N 0 0 337.448 4.463 50 0 EIAARN O=C(NCCCCCc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000575442887 564079419 /nfs/dbraw/zinc/07/94/19/564079419.db2.gz DXJSVXMWNAWQAC-UHFFFAOYSA-N 0 0 341.842 4.359 50 0 EIAARN CCc1ccc([C@H](NC(=O)N(C)Cc2nccs2)C(C)(C)C)o1 ZINC000074892579 564079555 /nfs/dbraw/zinc/07/95/55/564079555.db2.gz FXMUGCRHJVNPQV-HNNXBMFYSA-N 0 0 335.473 4.227 50 0 EIAARN CC(C)Cn1ncnc1CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000088588556 564079682 /nfs/dbraw/zinc/07/96/82/564079682.db2.gz AIPFEEVRMMRMKP-LLVKDONJSA-N 0 0 327.259 4.092 50 0 EIAARN CC[C@@H](C)CN(CC)C(=O)c1csc(Cc2ccccc2F)n1 ZINC000075093085 564079961 /nfs/dbraw/zinc/07/99/61/564079961.db2.gz HZBQOZSTHLQAHE-CYBMUJFWSA-N 0 0 334.460 4.381 50 0 EIAARN Cc1c(CNC(=O)Nc2cccc(CSC(C)C)c2C)cnn1C ZINC000089222602 564080161 /nfs/dbraw/zinc/08/01/61/564080161.db2.gz VIODVRODJRNNGR-UHFFFAOYSA-N 0 0 346.500 4.000 50 0 EIAARN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NCc1nnsc1Cl ZINC000089105008 564081381 /nfs/dbraw/zinc/08/13/81/564081381.db2.gz JZQDSWHKGGIVOT-LLVKDONJSA-N 0 0 348.859 4.098 50 0 EIAARN Cc1ccc(SC(F)(F)F)cc1N1C(=O)c2ccccc2C1=O ZINC000075283208 564081525 /nfs/dbraw/zinc/08/15/25/564081525.db2.gz JQZIBBLBFUSLDE-UHFFFAOYSA-N 0 0 337.322 4.408 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000001595581 564081692 /nfs/dbraw/zinc/08/16/92/564081692.db2.gz JGCYZXZVFHIHNV-UHFFFAOYSA-N 0 0 328.355 4.463 50 0 EIAARN CC(=O)Nc1nc(CNc2ccccc2CCC(F)(F)F)cs1 ZINC000089119306 564081706 /nfs/dbraw/zinc/08/17/06/564081706.db2.gz MABXXKWMFMXRFQ-UHFFFAOYSA-N 0 0 343.374 4.209 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCCCCC1 ZINC000006200374 564082047 /nfs/dbraw/zinc/08/20/47/564082047.db2.gz TVDFUASIISLQBA-UHFFFAOYSA-N 0 0 325.456 4.001 50 0 EIAARN Cc1cc(N[C@@H](c2nccn2C)c2ccccc2)nc2ccccc12 ZINC000053599546 564082099 /nfs/dbraw/zinc/08/20/99/564082099.db2.gz OYGMJUBMLZXTNR-HXUWFJFHSA-N 0 0 328.419 4.478 50 0 EIAARN Cc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 ZINC000575610146 564082526 /nfs/dbraw/zinc/08/25/26/564082526.db2.gz KYDXRTQSTMPOIQ-IBGZPJMESA-N 0 0 337.444 4.187 50 0 EIAARN COc1cccc2cc(C(=O)NCc3ccc(-c4ccoc4)o3)oc21 ZINC000575611791 564082711 /nfs/dbraw/zinc/08/27/11/564082711.db2.gz WZXXOOJNTDJUEX-UHFFFAOYSA-N 0 0 337.331 4.224 50 0 EIAARN O=C(Nc1ccccc1F)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000053748855 564082822 /nfs/dbraw/zinc/08/28/22/564082822.db2.gz GGEWVPWDGXUNCQ-MRXNPFEDSA-N 0 0 328.387 4.039 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000006235822 564083163 /nfs/dbraw/zinc/08/31/63/564083163.db2.gz JYQQSLIUEMGZAN-UHFFFAOYSA-N 0 0 338.190 4.341 50 0 EIAARN COc1cc(C)c(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1OC ZINC000006258994 564083323 /nfs/dbraw/zinc/08/33/23/564083323.db2.gz PTCQPMZGBHOYEC-NSHDSACASA-N 0 0 345.464 4.451 50 0 EIAARN COc1cc(C)c(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC ZINC000006258999 564083327 /nfs/dbraw/zinc/08/33/27/564083327.db2.gz PTCQPMZGBHOYEC-LLVKDONJSA-N 0 0 345.464 4.451 50 0 EIAARN COc1cccc2cc(C(=O)N3CCc4sc(Cl)cc4C3)oc21 ZINC000575617153 564083503 /nfs/dbraw/zinc/08/35/03/564083503.db2.gz ZRMVGEOVURDZDS-UHFFFAOYSA-N 0 0 347.823 4.355 50 0 EIAARN COc1ccccc1CNC(=O)[C@H](c1ccc(Cl)cc1)C(C)C ZINC000006288739 564083602 /nfs/dbraw/zinc/08/36/02/564083602.db2.gz BJYNPZGEVJQZME-SFHVURJKSA-N 0 0 331.843 4.405 50 0 EIAARN C[C@@H](Cc1csc2ccccc12)NC(=O)NCc1ccc(F)cc1 ZINC000575619991 564083833 /nfs/dbraw/zinc/08/38/33/564083833.db2.gz HHYQYVJJONHPHW-ZDUSSCGKSA-N 0 0 342.439 4.471 50 0 EIAARN COc1ccc(C(=O)N[C@@H](C)Cc2csc3ccccc23)cc1F ZINC000575621749 564083930 /nfs/dbraw/zinc/08/39/30/564083930.db2.gz SOSYECZWLMSWKL-LBPRGKRZSA-N 0 0 343.423 4.410 50 0 EIAARN CCCSc1nc2ccccc2n1Cc1ccc(C(=O)OC)cc1 ZINC000006313724 564084521 /nfs/dbraw/zinc/08/45/21/564084521.db2.gz UKMRHGQPVQMKMZ-UHFFFAOYSA-N 0 0 340.448 4.373 50 0 EIAARN CCOC(=O)c1ccc(N)c(NCc2cccc(C(F)(F)F)c2)c1 ZINC000103016231 564084926 /nfs/dbraw/zinc/08/49/26/564084926.db2.gz XHFUQDMNPHIITM-UHFFFAOYSA-N 0 0 338.329 4.076 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1cc(OCc2ccccc2)no1 ZINC000090610023 564084957 /nfs/dbraw/zinc/08/49/57/564084957.db2.gz PJVYHCFBJZJVBC-UHFFFAOYSA-N 0 0 342.782 4.468 50 0 EIAARN O=C(Cc1ccccc1Cl)Nc1ccc(Br)cc1F ZINC000006377202 564085321 /nfs/dbraw/zinc/08/53/21/564085321.db2.gz NBKXQZVENYPVBQ-UHFFFAOYSA-N 0 0 342.595 4.423 50 0 EIAARN CSc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 ZINC000035596696 564085348 /nfs/dbraw/zinc/08/53/48/564085348.db2.gz HDXYSGXLEVTURC-UHFFFAOYSA-N 0 0 349.459 4.335 50 0 EIAARN CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)cc3F)c2O1 ZINC000006388559 564085479 /nfs/dbraw/zinc/08/54/79/564085479.db2.gz JGCYUNLMNOENCV-UHFFFAOYSA-N 0 0 349.789 4.210 50 0 EIAARN C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1 ZINC000013001703 564086284 /nfs/dbraw/zinc/08/62/84/564086284.db2.gz PTAKVKQEDXHRIG-LLVKDONJSA-N 0 0 346.452 4.431 50 0 EIAARN CC(C)c1nc2cc(CCC(=O)N[C@@H](C)c3ccccc3)ccc2[nH]1 ZINC000075478740 564086589 /nfs/dbraw/zinc/08/65/89/564086589.db2.gz YEWIRSKQEHKKNX-HNNXBMFYSA-N 0 0 335.451 4.496 50 0 EIAARN CC(=O)c1cccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)c1 ZINC000075478744 564086626 /nfs/dbraw/zinc/08/66/26/564086626.db2.gz MDFQUZKZERZJNW-UHFFFAOYSA-N 0 0 349.434 4.460 50 0 EIAARN Cc1ccc(CNC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)cc1 ZINC000075478733 564086634 /nfs/dbraw/zinc/08/66/34/564086634.db2.gz ZKOTUJDRFLYHSF-UHFFFAOYSA-N 0 0 335.451 4.244 50 0 EIAARN CC(C)c1nc2cc(CCC(=O)NCc3ccccc3F)ccc2[nH]1 ZINC000075478781 564086695 /nfs/dbraw/zinc/08/66/95/564086695.db2.gz CFKNRRZUNAQDOR-UHFFFAOYSA-N 0 0 339.414 4.074 50 0 EIAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000013014692 564086791 /nfs/dbraw/zinc/08/67/91/564086791.db2.gz KIIOMZVUVAOPIF-CQSZACIVSA-N 0 0 348.855 4.035 50 0 EIAARN O=C(C[C@@H](c1ccccc1)n1cccc1)Nc1ccc(Cl)nc1 ZINC000253413470 564087011 /nfs/dbraw/zinc/08/70/11/564087011.db2.gz UVZKVRWSYKNEDF-INIZCTEOSA-N 0 0 325.799 4.155 50 0 EIAARN Fc1cccc(Cl)c1[C@H]1C=C(c2ccccc2)Nc2nnnn21 ZINC000001788044 564087629 /nfs/dbraw/zinc/08/76/29/564087629.db2.gz BPUVCLMPTITWGS-CQSZACIVSA-N 0 0 327.750 4.118 50 0 EIAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccn2)o1 ZINC000239305893 564088044 /nfs/dbraw/zinc/08/80/44/564088044.db2.gz GECVBFAJZDIADU-PXNSSMCTSA-N 0 0 331.375 4.225 50 0 EIAARN COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc1 ZINC000239475409 564088163 /nfs/dbraw/zinc/08/81/63/564088163.db2.gz AOBGNMLTZIDGHZ-LSTDLKDCSA-N 0 0 341.838 4.124 50 0 EIAARN C[C@@H]1CC(Nc2ccc(NC(=O)N3CCCCCC3)cc2)C[C@@H](C)O1 ZINC000092160925 564088857 /nfs/dbraw/zinc/08/88/57/564088857.db2.gz YTHOLTSEQRFHEO-HZPDHXFCSA-N 0 0 345.487 4.462 50 0 EIAARN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)[nH]1 ZINC000252453056 564090107 /nfs/dbraw/zinc/09/01/07/564090107.db2.gz YYFKOOZPGAOKAG-UHFFFAOYSA-N 0 0 326.278 4.005 50 0 EIAARN CCOC(=O)CCN(CC1CC1)C(=O)c1sc2ccccc2c1C ZINC000064382764 564090172 /nfs/dbraw/zinc/09/01/72/564090172.db2.gz HNWYCDQOSTYNFY-UHFFFAOYSA-N 0 0 345.464 4.015 50 0 EIAARN C[C@H](Sc1nnc2ccc3ccccc3n21)C(=O)Nc1ccccc1 ZINC000001924299 564090261 /nfs/dbraw/zinc/09/02/61/564090261.db2.gz AQIKGBCXTHAVOJ-ZDUSSCGKSA-N 0 0 348.431 4.002 50 0 EIAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001961932 564090383 /nfs/dbraw/zinc/09/03/83/564090383.db2.gz IQXYPUNGIKLROG-UHFFFAOYSA-N 0 0 345.398 4.458 50 0 EIAARN COc1cc(OC)c(OC)cc1CNc1ccc(C(F)(F)F)cc1 ZINC000089423803 564090562 /nfs/dbraw/zinc/09/05/62/564090562.db2.gz XDMYXIFEGTUUNY-UHFFFAOYSA-N 0 0 341.329 4.343 50 0 EIAARN COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3O)c2c1 ZINC000089467070 564090728 /nfs/dbraw/zinc/09/07/28/564090728.db2.gz REZKNFJVLFJXBH-UHFFFAOYSA-N 0 0 334.375 4.079 50 0 EIAARN CCc1ccc(CC)c(C(=O)COc2ccc(-c3nnco3)cc2)c1 ZINC000035828374 564091080 /nfs/dbraw/zinc/09/10/80/564091080.db2.gz VVMLPPRQZUIJTE-UHFFFAOYSA-N 0 0 336.391 4.123 50 0 EIAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccccc1 ZINC000064438570 564091338 /nfs/dbraw/zinc/09/13/38/564091338.db2.gz ISUWHVFIWCLILF-UHFFFAOYSA-N 0 0 349.434 4.426 50 0 EIAARN CC[C@H](C)Sc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000006529087 564091463 /nfs/dbraw/zinc/09/14/63/564091463.db2.gz QKUVCRKEQJWNGM-LBPRGKRZSA-N 0 0 328.441 4.029 50 0 EIAARN CCCCSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000006529895 564091477 /nfs/dbraw/zinc/09/14/77/564091477.db2.gz FJBXLSGISVNNMU-UHFFFAOYSA-N 0 0 328.441 4.030 50 0 EIAARN O=c1c2ccccc2nc(SC[C@@H]2CCCCO2)n1C1CCCC1 ZINC000006531224 564091651 /nfs/dbraw/zinc/09/16/51/564091651.db2.gz LIUMBRLXEFDVKR-HNNXBMFYSA-N 0 0 344.480 4.173 50 0 EIAARN Cc1ccc([C@@H]2C[C@@H]2C2N=NC(=S)N2c2ccc(F)cc2)cc1 ZINC000006533827 564091675 /nfs/dbraw/zinc/09/16/75/564091675.db2.gz VUDWBEWIOGNWKC-HOTGVXAUSA-N 0 0 325.412 4.275 50 0 EIAARN CC(=O)Nc1nc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)cs1 ZINC000064517660 564091926 /nfs/dbraw/zinc/09/19/26/564091926.db2.gz AOBYDZHYEZRUIC-QGZVFWFLSA-N 0 0 329.469 4.055 50 0 EIAARN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1cccc(F)c1 ZINC000006559348 564092049 /nfs/dbraw/zinc/09/20/49/564092049.db2.gz IJAHLAXKZZBAGP-LLVKDONJSA-N 0 0 338.785 4.077 50 0 EIAARN Cc1noc(C)c1CSCC(=O)Nc1nc2c(cccc2C)s1 ZINC000006561090 564092115 /nfs/dbraw/zinc/09/21/15/564092115.db2.gz SGJNAYPIKGVFIR-UHFFFAOYSA-N 0 0 347.465 4.081 50 0 EIAARN CCOC(=O)c1oc2ccccc2c1COc1ncnc2ccccc21 ZINC000006560761 564092140 /nfs/dbraw/zinc/09/21/40/564092140.db2.gz ANAZGVLKUQOEJL-UHFFFAOYSA-N 0 0 348.358 4.132 50 0 EIAARN Cc1ccc(CN(C)c2ncnc3sc4c(c32)CC[C@@H](C)C4)o1 ZINC000006602745 564092847 /nfs/dbraw/zinc/09/28/47/564092847.db2.gz HHAIXBHLGRNDGL-LLVKDONJSA-N 0 0 327.453 4.354 50 0 EIAARN COc1ccccc1NC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000027028177 564093084 /nfs/dbraw/zinc/09/30/84/564093084.db2.gz UUVKHARMQNBDGN-UHFFFAOYSA-N 0 0 334.419 4.414 50 0 EIAARN CCCC[C@@H]1C=CCN1C(=O)c1ccc(-c2ccccc2C(N)=O)cc1 ZINC000426372528 564093497 /nfs/dbraw/zinc/09/34/97/564093497.db2.gz VPNZFGFYUVDWTM-GOSISDBHSA-N 0 0 348.446 4.023 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O=c1cc(CSCc2ccccc2)nc2sc3c(n21)CCCC3 ZINC000006738852 564096732 /nfs/dbraw/zinc/09/67/32/564096732.db2.gz NGEGZGLZFWDXLI-UHFFFAOYSA-N 0 0 342.489 4.068 50 0 EIAARN CCc1ccc(NC(=O)c2cc3c(c4ccccc4oc3=O)n2C)cc1 ZINC000064838858 564096762 /nfs/dbraw/zinc/09/67/62/564096762.db2.gz QUAPCCNMKQPLDO-UHFFFAOYSA-N 0 0 346.386 4.099 50 0 EIAARN CC(C)(C)C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000006739886 564096800 /nfs/dbraw/zinc/09/68/00/564096800.db2.gz KWPCGSYYWUTAEX-UHFFFAOYSA-N 0 0 341.889 4.468 50 0 EIAARN CCc1ccc(NC(=O)c2nc(SC(C)C)ncc2Cl)cc1 ZINC000006748066 564096962 /nfs/dbraw/zinc/09/69/62/564096962.db2.gz VOGLRIVFOGMZDM-UHFFFAOYSA-N 0 0 335.860 4.445 50 0 EIAARN CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccs1 ZINC000006747859 564096993 /nfs/dbraw/zinc/09/69/93/564096993.db2.gz WPTFRLMWVLOAEE-KRWDZBQOSA-N 0 0 341.411 4.233 50 0 EIAARN CCc1ccccc1NC(=O)[C@@H](CC)Sc1nc2cc[nH]cc-2n1 ZINC000006752359 564097173 /nfs/dbraw/zinc/09/71/73/564097173.db2.gz VCOACYWTQOQCDW-MRXNPFEDSA-N 0 0 340.452 4.030 50 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327.767 4.316 50 0 EIAARN CCCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2ccccc21 ZINC000064963672 564098630 /nfs/dbraw/zinc/09/86/30/564098630.db2.gz DSWRJVYIRWVLAA-UHFFFAOYSA-N 0 0 345.402 4.437 50 0 EIAARN Cc1nnc(SC[C@@H](O)c2ccc(F)cc2)n1C1CCCCC1 ZINC000066347376 564098782 /nfs/dbraw/zinc/09/87/82/564098782.db2.gz WUFWRDNBDPRWLL-MRXNPFEDSA-N 0 0 335.448 4.057 50 0 EIAARN COc1cc(SC)ccc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000006821360 564098859 /nfs/dbraw/zinc/09/88/59/564098859.db2.gz RMXAHKXWFDVRMU-UHFFFAOYSA-N 0 0 342.464 4.270 50 0 EIAARN COC(=O)c1cc(C)sc1NC(=S)NCCC1=CCCCC1 ZINC000006825597 564098889 /nfs/dbraw/zinc/09/88/89/564098889.db2.gz RGWMJBBAUXMFDQ-UHFFFAOYSA-N 0 0 338.498 4.020 50 0 EIAARN COc1cc(C)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000006840014 564099332 /nfs/dbraw/zinc/09/93/32/564099332.db2.gz OAKQAOZRJMNHOM-UHFFFAOYSA-N 0 0 339.313 4.040 50 0 EIAARN COc1ccccc1NC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000006842843 564099445 /nfs/dbraw/zinc/09/94/45/564099445.db2.gz 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ZINC000065149191 564101707 /nfs/dbraw/zinc/10/17/07/564101707.db2.gz RNVXPCNHFYLLGJ-SNVBAGLBSA-N 0 0 327.409 4.157 50 0 EIAARN c1ccc(-c2nc3cc(-c4noc([C@H]5CCOC5)n4)ccc3o2)cc1 ZINC000065149812 564101827 /nfs/dbraw/zinc/10/18/27/564101827.db2.gz LITNYAQCWNSAEM-AWEZNQCLSA-N 0 0 333.347 4.049 50 0 EIAARN CSc1ncc(C(=O)Nc2ccc(C)cc2C)c(C(F)(F)F)n1 ZINC000006938327 564101857 /nfs/dbraw/zinc/10/18/57/564101857.db2.gz BBQSMSNIWFVIOU-UHFFFAOYSA-N 0 0 341.358 4.086 50 0 EIAARN Cc1ccc(NC(=O)COc2ccccc2C2SCCS2)cc1 ZINC000006939495 564101898 /nfs/dbraw/zinc/10/18/98/564101898.db2.gz BDIVUSSRRRLGCD-UHFFFAOYSA-N 0 0 345.489 4.491 50 0 EIAARN Cc1noc(C)c1COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000006945843 564101993 /nfs/dbraw/zinc/10/19/93/564101993.db2.gz SYQGFGIIHZTSBM-NSHDSACASA-N 0 0 338.407 4.255 50 0 EIAARN COc1ccc(C2(C(=O)Nc3cc(-c4ccsc4)no3)CC2)cc1 ZINC000065153259 564102019 /nfs/dbraw/zinc/10/20/19/564102019.db2.gz SKLXAWXIYXYLJW-UHFFFAOYSA-N 0 0 340.404 4.082 50 0 EIAARN CC(C)OCc1cccc(NC(=O)c2ncccc2Br)c1 ZINC000192910528 564102055 /nfs/dbraw/zinc/10/20/55/564102055.db2.gz SNMHFRFUZZHCEW-UHFFFAOYSA-N 0 0 349.228 4.021 50 0 EIAARN Cc1cccc(NC(=O)c2cccc(-c3nc4cccnc4n3C)c2)c1 ZINC000065172622 564102305 /nfs/dbraw/zinc/10/23/05/564102305.db2.gz JRYAWOUFPYGZGR-UHFFFAOYSA-N 0 0 342.402 4.196 50 0 EIAARN O=C(/C=C/c1ccco1)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000065180743 564102363 /nfs/dbraw/zinc/10/23/63/564102363.db2.gz XSVRPKPCLKSKGL-BQYQJAHWSA-N 0 0 343.398 4.140 50 0 EIAARN O=C(Cc1cccs1)N1CCC(CCOc2ccccc2F)CC1 ZINC000065180613 564102380 /nfs/dbraw/zinc/10/23/80/564102380.db2.gz RDHJLEQWDVWBRF-UHFFFAOYSA-N 0 0 347.455 4.137 50 0 EIAARN CCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(Cl)cc1 ZINC000065209786 564102729 /nfs/dbraw/zinc/10/27/29/564102729.db2.gz YKICTFKMHQYFSG-UHFFFAOYSA-N 0 0 339.826 4.153 50 0 EIAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(CNc3ccccc3)nc(=O)c12 ZINC000007002409 564103017 /nfs/dbraw/zinc/10/30/17/564103017.db2.gz DKUDKQPUGGEEEW-GFCCVEGCSA-N 0 0 341.480 4.494 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C(F)(F)F)cc2)c1C ZINC000007007005 564103074 /nfs/dbraw/zinc/10/30/74/564103074.db2.gz HRPYXCVUPDHMSS-UHFFFAOYSA-N 0 0 339.313 4.115 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1cc(-c2cccc(F)c2)ns1 ZINC000065233058 564103281 /nfs/dbraw/zinc/10/32/81/564103281.db2.gz BUFXDNNPBFKOML-UHFFFAOYSA-N 0 0 330.359 4.018 50 0 EIAARN COc1ccc(Nc2c(-c3nc(C)no3)cnc3nc(C)ccc32)cc1 ZINC000065250578 564103445 /nfs/dbraw/zinc/10/34/45/564103445.db2.gz ZFLYKKBLKKQPJF-UHFFFAOYSA-N 0 0 347.378 4.049 50 0 EIAARN O=C(c1ccoc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21 ZINC000065254887 564103464 /nfs/dbraw/zinc/10/34/64/564103464.db2.gz QBNJSDAXOPYWIH-UHFFFAOYSA-N 0 0 336.416 4.483 50 0 EIAARN CCc1nnc(-c2nnc(NC3CCCCCC3)c3ccccc32)o1 ZINC000065258173 564103562 /nfs/dbraw/zinc/10/35/62/564103562.db2.gz UEBPUIOYSJUDNR-UHFFFAOYSA-N 0 0 337.427 4.377 50 0 EIAARN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccccc1Cl ZINC000036621071 564103712 /nfs/dbraw/zinc/10/37/12/564103712.db2.gz RADPZDRKPSJNCB-INIZCTEOSA-N 0 0 339.819 4.005 50 0 EIAARN Clc1ccc(-c2cc3n(n2)CCCN(Cc2ccncc2)C3)cc1 ZINC000065270484 564103826 /nfs/dbraw/zinc/10/38/26/564103826.db2.gz LSAVCNPDJUMTQS-UHFFFAOYSA-N 0 0 338.842 4.004 50 0 EIAARN Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cccn2C)cc1 ZINC000007087958 564104650 /nfs/dbraw/zinc/10/46/50/564104650.db2.gz CJLKDXMAGGDSER-FQEVSTJZSA-N 0 0 331.419 4.100 50 0 EIAARN Cc1cn(C)nc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000036701847 564105115 /nfs/dbraw/zinc/10/51/15/564105115.db2.gz ILRIJCPCUFEHQI-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN O=C(COc1cccc(F)c1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000007123323 564105174 /nfs/dbraw/zinc/10/51/74/564105174.db2.gz MUHWDMIWEKSYBG-UHFFFAOYSA-N 0 0 349.361 4.340 50 0 EIAARN Cc1ccc(Nc2nn3c(nc4ccc(Cl)cc4c3=O)s2)cc1 ZINC000065329998 564105251 /nfs/dbraw/zinc/10/52/51/564105251.db2.gz WUJXWHACOMOSDU-UHFFFAOYSA-N 0 0 342.811 4.010 50 0 EIAARN O=C1C[C@H](c2cccc(F)c2)c2cnn(-c3cccc(Cl)c3)c2N1 ZINC000065331239 564105334 /nfs/dbraw/zinc/10/53/34/564105334.db2.gz MPZJGCBZNSWYMO-OAHLLOKOSA-N 0 0 341.773 4.139 50 0 EIAARN c1nc2sc3c(c2c(NCCCOC2CCCCC2)n1)CCC3 ZINC000170101956 564105388 /nfs/dbraw/zinc/10/53/88/564105388.db2.gz OBEASJZNKQKAES-UHFFFAOYSA-N 0 0 331.485 4.331 50 0 EIAARN CC(C)(O)c1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 ZINC000170090166 564105423 /nfs/dbraw/zinc/10/54/23/564105423.db2.gz ZDKBFXDORCTWBG-UHFFFAOYSA-N 0 0 342.826 4.161 50 0 EIAARN CC(=O)Nc1cc(NC(=O)N[C@H](C)c2cc(C)oc2C)ccc1Cl ZINC000065417783 564105827 /nfs/dbraw/zinc/10/58/27/564105827.db2.gz PEYJWLAMIIDRKG-SNVBAGLBSA-N 0 0 349.818 4.391 50 0 EIAARN Cc1occc1-c1nnc(SCc2nc(-c3cccs3)no2)o1 ZINC000007218869 564105859 /nfs/dbraw/zinc/10/58/59/564105859.db2.gz FOPMBLFYVVFPMO-UHFFFAOYSA-N 0 0 346.393 4.042 50 0 EIAARN O=C(Nc1ccc2ccccc2c1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000036832988 564105955 /nfs/dbraw/zinc/10/59/55/564105955.db2.gz FECWAALVFMDSSH-LJQANCHMSA-N 0 0 334.350 4.111 50 0 EIAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000007249362 564106010 /nfs/dbraw/zinc/10/60/10/564106010.db2.gz IBBSOQGEICXJOR-VIFPVBQESA-N 0 0 348.226 4.172 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2)cc1 ZINC000007267336 564106116 /nfs/dbraw/zinc/10/61/16/564106116.db2.gz BKCGPRHWXSXFIX-CYBMUJFWSA-N 0 0 344.842 4.002 50 0 EIAARN O=C(Nc1cccc(COCC2CC2)c1)N1CCc2sccc2C1 ZINC000065473468 564106211 /nfs/dbraw/zinc/10/62/11/564106211.db2.gz YCHXTMCEECASGY-UHFFFAOYSA-N 0 0 342.464 4.265 50 0 EIAARN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000065491122 564106386 /nfs/dbraw/zinc/10/63/86/564106386.db2.gz IGLCUIUJSQUBEK-DZGCQCFKSA-N 0 0 339.391 4.109 50 0 EIAARN COc1ccccc1[C@H]1C[C@@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000065496037 564106522 /nfs/dbraw/zinc/10/65/22/564106522.db2.gz RVEZHVDNUUIBDP-SJORKVTESA-N 0 0 327.449 4.051 50 0 EIAARN CN(C(=O)Nc1ccccc1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000065523401 564106890 /nfs/dbraw/zinc/10/68/90/564106890.db2.gz GACLUALTNWNJQF-LJQANCHMSA-N 0 0 335.382 4.474 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000065530491 564106930 /nfs/dbraw/zinc/10/69/30/564106930.db2.gz QZJMEIVRROYAGG-ZYHUDNBSSA-N 0 0 343.452 4.224 50 0 EIAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](C(F)(F)F)C1 ZINC000065564739 564107039 /nfs/dbraw/zinc/10/70/39/564107039.db2.gz FAYQCTPDKHVNEW-YPMHNXCESA-N 0 0 325.334 4.072 50 0 EIAARN Cc1cc(NC(=O)CCc2ccsc2)n(-c2cc(C)cc(C)c2)n1 ZINC000065565066 564107094 /nfs/dbraw/zinc/10/70/94/564107094.db2.gz FHUJKCURQQVNBG-UHFFFAOYSA-N 0 0 339.464 4.430 50 0 EIAARN C[C@H]1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 ZINC000065566024 564107105 /nfs/dbraw/zinc/10/71/05/564107105.db2.gz BLSLURWNCRBCBY-QMMMGPOBSA-N 0 0 341.636 4.066 50 0 EIAARN CC(C)Cc1noc(CN[C@@H](c2cccnc2)C2CCCCC2)n1 ZINC000065539730 564107257 /nfs/dbraw/zinc/10/72/57/564107257.db2.gz YRILXHRVLGQBME-LJQANCHMSA-N 0 0 328.460 4.074 50 0 EIAARN Cc1cn2nc(NCc3cc(C)cc4c(C)c(C)[nH]c43)sc2n1 ZINC000065548168 564107362 /nfs/dbraw/zinc/10/73/62/564107362.db2.gz JDDHGOUXTKWNLF-UHFFFAOYSA-N 0 0 325.441 4.118 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(C)ccc1C ZINC000007381022 564107620 /nfs/dbraw/zinc/10/76/20/564107620.db2.gz ZWIQJQWRMLIOQT-UHFFFAOYSA-N 0 0 327.472 4.344 50 0 EIAARN O=C(NC1CCN(c2ccc(F)cc2)CC1)c1sccc1C1CC1 ZINC000065591237 564107896 /nfs/dbraw/zinc/10/78/96/564107896.db2.gz HCJSBXIMUWSHCX-UHFFFAOYSA-N 0 0 344.455 4.163 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@H](C)C1CC1 ZINC000065592104 564108000 /nfs/dbraw/zinc/10/80/00/564108000.db2.gz LZOVLYBHHPAYSE-KSSFIOAISA-N 0 0 325.456 4.156 50 0 EIAARN CCOc1ccc(C(C)=O)cc1COc1ccc(C(C)=O)cc1OC ZINC000007438414 564108508 /nfs/dbraw/zinc/10/85/08/564108508.db2.gz BFXAKTPOXHNTQP-UHFFFAOYSA-N 0 0 342.391 4.078 50 0 EIAARN Cc1cccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)c1 ZINC000526052467 564108687 /nfs/dbraw/zinc/10/86/87/564108687.db2.gz QMJUSGDFGPDMQC-QGZVFWFLSA-N 0 0 335.407 4.172 50 0 EIAARN Cc1ccc([C@H]2CCCN2C(=O)c2cc(CC(C)C)n[nH]2)cc1C ZINC000170594132 564109027 /nfs/dbraw/zinc/10/90/27/564109027.db2.gz LKCZLWWTIJZAID-LJQANCHMSA-N 0 0 325.456 4.202 50 0 EIAARN O=C(CCc1ccccn1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000170598013 564109175 /nfs/dbraw/zinc/10/91/75/564109175.db2.gz BOUCPGGUJHCLKW-UHFFFAOYSA-N 0 0 333.391 4.185 50 0 EIAARN CC[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1)c1ccncc1 ZINC000170611089 564109790 /nfs/dbraw/zinc/10/97/90/564109790.db2.gz DIWMRKDGQNEQDU-UONOGXRCSA-N 0 0 343.393 4.153 50 0 EIAARN O=C(Nc1nccn1-c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000170614309 564109949 /nfs/dbraw/zinc/10/99/49/564109949.db2.gz ZBDCHTOQSBXRSU-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 EIAARN CCc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)o1 ZINC000170615599 564110032 /nfs/dbraw/zinc/11/00/32/564110032.db2.gz QQLWKNCJAAHNMZ-OAHLLOKOSA-N 0 0 326.440 4.469 50 0 EIAARN O=C(CS[C@@H]1CCc2c1cc(F)cc2F)Nc1cccc(F)c1 ZINC000170618742 564110108 /nfs/dbraw/zinc/11/01/08/564110108.db2.gz XYOBVEQKWKCEMX-MRXNPFEDSA-N 0 0 337.366 4.463 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CNc1nc(-c2ccccc2)no1 ZINC000170618518 564110117 /nfs/dbraw/zinc/11/01/17/564110117.db2.gz KIYUTIQNYLIRKN-UHFFFAOYSA-N 0 0 345.406 4.151 50 0 EIAARN O=C(NC1(c2ccc(Cl)cc2)CC1)c1cc(Cl)c(Cl)[nH]1 ZINC000170625939 564110454 /nfs/dbraw/zinc/11/04/54/564110454.db2.gz WQQJMQMYNWBAHB-UHFFFAOYSA-N 0 0 329.614 4.394 50 0 EIAARN Cc1nnc([C@@H](C)OC(=O)c2cccc3c4c([nH]c32)CCCCC4)o1 ZINC000170625761 564110466 /nfs/dbraw/zinc/11/04/66/564110466.db2.gz DKADJYVLCJRQMK-LLVKDONJSA-N 0 0 339.395 4.046 50 0 EIAARN Cc1cccnc1[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C ZINC000170628798 564110491 /nfs/dbraw/zinc/11/04/91/564110491.db2.gz YVVSNTFLDLMVRX-QQABJKMWSA-N 0 0 341.499 4.355 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009996087 564111026 /nfs/dbraw/zinc/11/10/26/564111026.db2.gz IWJOZZPTZZELIT-HNNXBMFYSA-N 0 0 326.396 4.413 50 0 EIAARN O=C(NCCCSc1ccc(Cl)cc1)Nc1nccs1 ZINC000010220879 564111059 /nfs/dbraw/zinc/11/10/59/564111059.db2.gz WKJZZPGDHPJQJY-UHFFFAOYSA-N 0 0 327.862 4.100 50 0 EIAARN Cc1nnc(CN2CCC(=Cc3cc(Cl)ccc3Cl)CC2)o1 ZINC000089736343 564113492 /nfs/dbraw/zinc/11/34/92/564113492.db2.gz PHOVDPSPPIRNLL-UHFFFAOYSA-N 0 0 338.238 4.364 50 0 EIAARN Cc1nccn1-c1ncccc1NCc1ccc(Cl)cc1Cl ZINC000089735813 564113510 /nfs/dbraw/zinc/11/35/10/564113510.db2.gz DSZQKLPSDKLLKJ-UHFFFAOYSA-N 0 0 333.222 4.495 50 0 EIAARN O=C(COc1ccccc1)OCc1cc(-c2cc3ccccc3o2)on1 ZINC000016838672 564113696 /nfs/dbraw/zinc/11/36/96/564113696.db2.gz YVDGHZRQHWVQHW-UHFFFAOYSA-N 0 0 349.342 4.210 50 0 EIAARN Cc1ccc(CNC(=O)Cc2csc(Nc3ccccc3)n2)cc1 ZINC000016850077 564113870 /nfs/dbraw/zinc/11/38/70/564113870.db2.gz SVQYNEWQIWKBFT-UHFFFAOYSA-N 0 0 337.448 4.054 50 0 EIAARN O=C(Cc1csc(Nc2ccccc2)n1)NCCC1=CCCCC1 ZINC000016850068 564113875 /nfs/dbraw/zinc/11/38/75/564113875.db2.gz VPJSAUJHBBJZMS-UHFFFAOYSA-N 0 0 341.480 4.436 50 0 EIAARN O=C(Nc1cccc2cccnc21)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000089808050 564113942 /nfs/dbraw/zinc/11/39/42/564113942.db2.gz RESLZPDOQIYZRE-STQMWFEESA-N 0 0 337.345 4.477 50 0 EIAARN O=C(Nc1cccc2cccnc21)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000089808047 564113950 /nfs/dbraw/zinc/11/39/50/564113950.db2.gz RESLZPDOQIYZRE-QWHCGFSZSA-N 0 0 337.345 4.477 50 0 EIAARN Cc1cccc(Cn2cc(C(=O)Nc3c(C)cccc3C)ccc2=O)c1 ZINC000007574112 564114034 /nfs/dbraw/zinc/11/40/34/564114034.db2.gz AKJCSQDFGHZJHW-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN O=C(N[C@@H](c1ccccc1)c1ccncc1)N[C@@H]1CCCc2occc21 ZINC000089827672 564114066 /nfs/dbraw/zinc/11/40/66/564114066.db2.gz BMNAFHZMYQFYJH-QUCCMNQESA-N 0 0 347.418 4.141 50 0 EIAARN O=C(Nc1scnc1C1CC1)c1csc(Cc2ccccc2)n1 ZINC000089840349 564114191 /nfs/dbraw/zinc/11/41/91/564114191.db2.gz WZDATWAHNLDEHF-UHFFFAOYSA-N 0 0 341.461 4.320 50 0 EIAARN O[C@@H]1CCCC[C@H]1Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000089866709 564114442 /nfs/dbraw/zinc/11/44/42/564114442.db2.gz GXNHPMSUEAXYTG-VXGBXAGGSA-N 0 0 328.359 4.044 50 0 EIAARN CC(C)(C)c1csc([C@H]2CCCCN2C(=O)C[C@H]2CCCO2)n1 ZINC000076042899 564114775 /nfs/dbraw/zinc/11/47/75/564114775.db2.gz IAVLVKRTNLCBBE-ZIAGYGMSSA-N 0 0 336.501 4.063 50 0 EIAARN COC(=O)[C@]1(C)CCN(C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000089893478 564114833 /nfs/dbraw/zinc/11/48/33/564114833.db2.gz LIDQKTMVGDEGAK-HXUWFJFHSA-N 0 0 346.471 4.350 50 0 EIAARN C[C@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 ZINC000089905092 564115064 /nfs/dbraw/zinc/11/50/64/564115064.db2.gz AXZNNIBOCDKMRL-XJKSGUPXSA-N 0 0 342.464 4.291 50 0 EIAARN C[C@@H](c1nnc(C(F)(F)F)o1)N(C)Cc1cccc2ccccc21 ZINC000089913779 564115223 /nfs/dbraw/zinc/11/52/23/564115223.db2.gz DTQKCESGBUCKHS-NSHDSACASA-N 0 0 335.329 4.435 50 0 EIAARN CC(C)OCCN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000076093209 564115675 /nfs/dbraw/zinc/11/56/75/564115675.db2.gz XAXBVADPFRALNZ-UHFFFAOYSA-N 0 0 334.460 4.063 50 0 EIAARN O=C(Nc1csc(N2CCCCC2)n1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000076094666 564115678 /nfs/dbraw/zinc/11/56/78/564115678.db2.gz PDSDWDRKVRAREE-HUUCEWRRSA-N 0 0 345.443 4.015 50 0 EIAARN Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)cc1 ZINC000007580362 564115796 /nfs/dbraw/zinc/11/57/96/564115796.db2.gz AJFIBWJZCLGBKS-UHFFFAOYSA-N 0 0 340.448 4.290 50 0 EIAARN CCC[C@@H](c1ccccn1)N(C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000089949759 564115834 /nfs/dbraw/zinc/11/58/34/564115834.db2.gz XDSHYHWFEAJAAR-KXBFYZLASA-N 0 0 343.446 4.329 50 0 EIAARN Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2nc(-c3ccccc3)cn12 ZINC000016992611 564116008 /nfs/dbraw/zinc/11/60/08/564116008.db2.gz JJSGHPZAYLZIPN-CYBMUJFWSA-N 0 0 339.464 4.243 50 0 EIAARN FC(F)(F)c1cccc([C@@H](NCc2cncs2)c2cccnc2)c1 ZINC000090202912 564116459 /nfs/dbraw/zinc/11/64/59/564116459.db2.gz LCLCLEBJZAHWIG-MRXNPFEDSA-N 0 0 349.381 4.436 50 0 EIAARN O=C(CSc1nccn1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000017156205 564116569 /nfs/dbraw/zinc/11/65/69/564116569.db2.gz OBWCVHPYLJTSPE-UHFFFAOYSA-N 0 0 335.860 4.382 50 0 EIAARN COc1ccc(CNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000001060341 564116843 /nfs/dbraw/zinc/11/68/43/564116843.db2.gz GGHIGGZFXRRWOW-MRXNPFEDSA-N 0 0 325.452 4.314 50 0 EIAARN Cc1ccc(N)c(-c2nnc(-c3ccccc3Br)o2)c1 ZINC000006697202 564117393 /nfs/dbraw/zinc/11/73/93/564117393.db2.gz DCWJBUPJLGTKCR-UHFFFAOYSA-N 0 0 330.185 4.057 50 0 EIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(Cl)c1 ZINC000006697397 564117433 /nfs/dbraw/zinc/11/74/33/564117433.db2.gz UDGCPHQTKPCKLU-UHFFFAOYSA-N 0 0 341.798 4.052 50 0 EIAARN Cc1cc(OC(F)F)c(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)s1 ZINC000170639091 564117584 /nfs/dbraw/zinc/11/75/84/564117584.db2.gz XPHCDLSAKOSAHP-UHFFFAOYSA-N 0 0 343.399 4.222 50 0 EIAARN O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(F)cc1C(F)(F)F ZINC000134833021 564117661 /nfs/dbraw/zinc/11/76/61/564117661.db2.gz ULFQAEGKDWNYFP-UHFFFAOYSA-N 0 0 349.287 4.283 50 0 EIAARN CC(C)(C)n1nc(C(=O)NC2(c3ccccc3)CCC2)cc1C1CC1 ZINC000170641344 564117958 /nfs/dbraw/zinc/11/79/58/564117958.db2.gz ASIJLYWZMYDBCQ-UHFFFAOYSA-N 0 0 337.467 4.325 50 0 EIAARN COc1cccc2c1N(C(=O)c1oc(-c3ccccc3)nc1C)CCC2 ZINC000170641884 564117973 /nfs/dbraw/zinc/11/79/73/564117973.db2.gz XRJYHPURVXEZKJ-UHFFFAOYSA-N 0 0 348.402 4.252 50 0 EIAARN COc1cc2c(cc1OC)/C(=C\c1ccc(C(C)C)cc1)C(=O)OC2 ZINC000002112376 564118065 /nfs/dbraw/zinc/11/80/65/564118065.db2.gz ZNIBPUJCPPWAJD-GIJQJNRQSA-N 0 0 338.403 4.425 50 0 biogenic EIAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(Cl)c1)CO3 ZINC000002119983 564118263 /nfs/dbraw/zinc/11/82/63/564118263.db2.gz TYFBDRGNRKCUJV-UHFFFAOYSA-N 0 0 341.794 4.420 50 0 biogenic EIAARN CC(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2ccc(C)c(F)c2)c1 ZINC000252484371 564119251 /nfs/dbraw/zinc/11/92/51/564119251.db2.gz FUWWDAGTZVWZAE-UHFFFAOYSA-N 0 0 348.805 4.018 50 0 EIAARN O=C(c1ccoc1)N1CCC(Nc2ccc(C3CC3)c(F)c2)CC1 ZINC000252490739 564119481 /nfs/dbraw/zinc/11/94/81/564119481.db2.gz KZZRZNJNQWGUTG-UHFFFAOYSA-N 0 0 328.387 4.013 50 0 EIAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)cc1F)CO3 ZINC000002158905 564119572 /nfs/dbraw/zinc/11/95/72/564119572.db2.gz WFAMBYVXVKMHGO-UHFFFAOYSA-N 0 0 343.329 4.045 50 0 biogenic EIAARN COc1cc(C(=O)N2CCC(F)(F)CC2)cc(Cl)c1OC(C)C ZINC000252503500 564119875 /nfs/dbraw/zinc/11/98/75/564119875.db2.gz VEAFPDOWUHFDHD-UHFFFAOYSA-N 0 0 347.789 4.007 50 0 EIAARN Cc1nnc([C@@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000252508899 564119992 /nfs/dbraw/zinc/11/99/92/564119992.db2.gz XXCIGZQKWTYMHK-GHMZBOCLSA-N 0 0 335.448 4.186 50 0 EIAARN CCN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000252511672 564120129 /nfs/dbraw/zinc/12/01/29/564120129.db2.gz JIFBHEAKSHKMJH-NMLBUPMWSA-N 0 0 338.426 4.205 50 0 EIAARN Cc1cc(Cl)ccc1C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000153555880 564120372 /nfs/dbraw/zinc/12/03/72/564120372.db2.gz IHNGLYZQDIUKCZ-UHFFFAOYSA-N 0 0 342.826 4.023 50 0 EIAARN O=C(Nc1nc2cc3c(cc2s1)OCO3)c1cc2ccccc2o1 ZINC000007613851 564120983 /nfs/dbraw/zinc/12/09/83/564120983.db2.gz QLANSEDDXIXIQR-UHFFFAOYSA-N 0 0 338.344 4.024 50 0 EIAARN Cc1cccc(-c2noc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)c1 ZINC000007615824 564121012 /nfs/dbraw/zinc/12/10/12/564121012.db2.gz XGIMCURDOCGYPC-QGZVFWFLSA-N 0 0 347.418 4.182 50 0 EIAARN CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1OC(F)F ZINC000027358660 564121036 /nfs/dbraw/zinc/12/10/36/564121036.db2.gz NDAOSEDJTFDCDL-CZUORRHYSA-N 0 0 349.377 4.323 50 0 EIAARN CN(CC(=O)Nc1cccc(F)c1)C(c1ccccc1)c1ccccc1 ZINC000007624340 564121301 /nfs/dbraw/zinc/12/13/01/564121301.db2.gz SWQKOAMWFLMKKS-UHFFFAOYSA-N 0 0 348.421 4.486 50 0 EIAARN CCCC(=O)Nc1ccc2c(c1)C(=O)C[C@H](c1ccc(OC)cc1)O2 ZINC000007636264 564121362 /nfs/dbraw/zinc/12/13/62/564121362.db2.gz XIWHMXQTJHZKHK-LJQANCHMSA-N 0 0 339.391 4.140 50 0 EIAARN Cc1cc(-n2ccnc2)ccc1CSc1nnc(C(C)(C)C)o1 ZINC000194532164 564121552 /nfs/dbraw/zinc/12/15/52/564121552.db2.gz BCPZAIDXUQCJTQ-UHFFFAOYSA-N 0 0 328.441 4.154 50 0 EIAARN C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1nnc(C2CC2)n1C1CC1 ZINC000194543664 564121647 /nfs/dbraw/zinc/12/16/47/564121647.db2.gz MWTCUXROCHDMAR-BSNNYGBQSA-N 0 0 349.887 4.154 50 0 EIAARN Cc1cccc(OCCC(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000007725248 564122286 /nfs/dbraw/zinc/12/22/86/564122286.db2.gz XIRORVBBCBWOGC-UHFFFAOYSA-N 0 0 326.421 4.321 50 0 EIAARN c1csc(-c2cc(CSc3ccc4c(c3)OCCO4)no2)c1 ZINC000007734828 564122396 /nfs/dbraw/zinc/12/23/96/564122396.db2.gz LFJADCSYUQMBSB-UHFFFAOYSA-N 0 0 331.418 4.467 50 0 EIAARN CSc1ccccc1C(=O)OCc1cc(-c2cccs2)on1 ZINC000007734899 564122401 /nfs/dbraw/zinc/12/24/01/564122401.db2.gz CKYFJDJNRJTGCQ-UHFFFAOYSA-N 0 0 331.418 4.482 50 0 EIAARN COc1cc(SC)ccc1C(=O)NCCc1ccc(Cl)cc1 ZINC000007735298 564122414 /nfs/dbraw/zinc/12/24/14/564122414.db2.gz HBCTUGZTGCFZFE-UHFFFAOYSA-N 0 0 335.856 4.043 50 0 EIAARN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N(C)Cc1cscn1 ZINC000195177170 564122952 /nfs/dbraw/zinc/12/29/52/564122952.db2.gz UPWHYMMBABGKSI-AWEZNQCLSA-N 0 0 331.485 4.041 50 0 EIAARN CCc1onc(C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000007778846 564123071 /nfs/dbraw/zinc/12/30/71/564123071.db2.gz AAKVTPHQGZPJGZ-UHFFFAOYSA-N 0 0 332.709 4.470 50 0 EIAARN Cc1cc(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)c(C)s1 ZINC000007785439 564123270 /nfs/dbraw/zinc/12/32/70/564123270.db2.gz OSMNNCHXEVWCKE-UHFFFAOYSA-N 0 0 327.449 4.455 50 0 EIAARN CCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000054748217 564123755 /nfs/dbraw/zinc/12/37/55/564123755.db2.gz XRFSOUUNOGRPIY-CYBMUJFWSA-N 0 0 339.464 4.207 50 0 EIAARN Cc1oc(-c2ccsc2)nc1C[S@@](=O)CCc1cccs1 ZINC000195579380 564123923 /nfs/dbraw/zinc/12/39/23/564123923.db2.gz TZWMQXIQUSKLKC-NRFANRHFSA-N 0 0 337.491 4.264 50 0 EIAARN O=C(N[C@@H]1CCSc2ccccc21)c1cccc(-n2cccc2)c1 ZINC000007814498 564123998 /nfs/dbraw/zinc/12/39/98/564123998.db2.gz NCXRKYCCWVNBBQ-GOSISDBHSA-N 0 0 334.444 4.444 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)Cc3cccs3)s2)cs1 ZINC000007820507 564124022 /nfs/dbraw/zinc/12/40/22/564124022.db2.gz BLZDLISXKLWLKC-UHFFFAOYSA-N 0 0 334.491 4.100 50 0 EIAARN COC(=O)c1c(C)[nH]c(-c2nc(NC3CCCC3)sc2C)c1C ZINC000007843286 564124178 /nfs/dbraw/zinc/12/41/78/564124178.db2.gz VDEKOYUQBHZIIC-UHFFFAOYSA-N 0 0 333.457 4.205 50 0 EIAARN CCc1cccc2c(C3=NNC(=NC4CCCC4)SC3)c[nH]c21 ZINC000007849935 564124251 /nfs/dbraw/zinc/12/42/51/564124251.db2.gz IJMOLXILRMZPHW-UHFFFAOYSA-N 0 0 326.469 4.069 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccccc2Br)N1C1CC1 ZINC000007885893 564124425 /nfs/dbraw/zinc/12/44/25/564124425.db2.gz RJSUXMLTAHOQEF-MRXNPFEDSA-N 0 0 343.224 4.178 50 0 EIAARN COc1ccc2c(CCNC(=O)c3cccc4ccccc43)c[nH]c2c1 ZINC000002229633 564124595 /nfs/dbraw/zinc/12/45/95/564124595.db2.gz MGKFXQXPJZODPE-UHFFFAOYSA-N 0 0 344.414 4.302 50 0 EIAARN Cc1sc2nc(-c3ccccc3)nc(Oc3cccc[n+]3[O-])c2c1C ZINC000015170967 564124843 /nfs/dbraw/zinc/12/48/43/564124843.db2.gz ADHVAAHUTUBEQJ-UHFFFAOYSA-N 0 0 349.415 4.401 50 0 EIAARN O=C(OCc1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000003202396 564125037 /nfs/dbraw/zinc/12/50/37/564125037.db2.gz LGEQINADZDDWGS-UHFFFAOYSA-N 0 0 326.402 4.263 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 ZINC000003409927 564125059 /nfs/dbraw/zinc/12/50/59/564125059.db2.gz PFXKLAPVGJAACY-BJMVGYQFSA-N 0 0 348.324 4.316 50 0 EIAARN Cc1nc(COc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cs1 ZINC000007918312 564125137 /nfs/dbraw/zinc/12/51/37/564125137.db2.gz BUMVWXZMCRRVAT-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN CCOc1ccccc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000007920398 564125431 /nfs/dbraw/zinc/12/54/31/564125431.db2.gz IBZRXFYYRGFDOI-UHFFFAOYSA-N 0 0 349.434 4.069 50 0 EIAARN C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000015330060 564125460 /nfs/dbraw/zinc/12/54/60/564125460.db2.gz YHNJCWLYJDFKHP-HNNXBMFYSA-N 0 0 325.433 4.020 50 0 EIAARN CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C ZINC000025556488 564129155 /nfs/dbraw/zinc/12/91/55/564129155.db2.gz YAPZUKSWNYMANR-BFMMEKFXSA-N 0 0 330.468 4.308 50 0 EIAARN CN1CCN([C@@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000221529636 564129576 /nfs/dbraw/zinc/12/95/76/564129576.db2.gz DXJSURSEJATFMU-GOSISDBHSA-N 0 0 346.883 4.130 50 0 EIAARN FC(F)(F)c1cc(CBr)n(-c2ccccc2Cl)n1 ZINC000118447788 564130160 /nfs/dbraw/zinc/13/01/60/564130160.db2.gz UTUSFZUJDIXUBE-UHFFFAOYSA-N 0 0 339.542 4.439 50 0 EIAARN Fc1cccc(OCc2nc([C@@H]3CCOC3)n(C3CCCCC3)n2)c1 ZINC000584885873 564131490 /nfs/dbraw/zinc/13/14/90/564131490.db2.gz PUYGMUXRWOQYIE-CQSZACIVSA-N 0 0 345.418 4.005 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccccn2)cc1Cl ZINC000055520193 564131525 /nfs/dbraw/zinc/13/15/25/564131525.db2.gz GTXMSTVKDWVXJM-KRWDZBQOSA-N 0 0 344.842 4.040 50 0 EIAARN Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@H]2c2csc(C)n2)o1 ZINC000253433207 564131880 /nfs/dbraw/zinc/13/18/80/564131880.db2.gz UADZOYVIEAXKTJ-PXAZEXFGSA-N 0 0 347.484 4.221 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3SCc2ccccc2)cc1 ZINC000002343958 564132418 /nfs/dbraw/zinc/13/24/18/564132418.db2.gz KCUPTWLUUSVIAU-UHFFFAOYSA-N 0 0 332.432 4.416 50 0 EIAARN O=C(c1cc(-c2ccccc2)no1)N(c1ccccn1)C1CCCC1 ZINC000154463258 564133295 /nfs/dbraw/zinc/13/32/95/564133295.db2.gz DOSPOQHAHUIKIT-UHFFFAOYSA-N 0 0 333.391 4.326 50 0 EIAARN CC(C)Cc1csc2[nH]c(-c3cnc4ccccc4c3)nc(=O)c12 ZINC000055191866 564134384 /nfs/dbraw/zinc/13/43/84/564134384.db2.gz NHZGCTJRUOMQLC-UHFFFAOYSA-N 0 0 335.432 4.398 50 0 EIAARN CCc1noc(C)c1NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000371610941 564134861 /nfs/dbraw/zinc/13/48/61/564134861.db2.gz HJEOMXKDUPHNJZ-LPQFERQCSA-N 0 0 325.412 4.255 50 0 EIAARN COc1cc(NC(C)=O)ccc1NCc1ccc2nc(C)ccc2c1 ZINC000225465242 564134982 /nfs/dbraw/zinc/13/49/82/564134982.db2.gz UFAAVVHVGCJUMA-UHFFFAOYSA-N 0 0 335.407 4.122 50 0 EIAARN CCCn1ccnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000007942346 564135335 /nfs/dbraw/zinc/13/53/35/564135335.db2.gz SSXFDMRLNBVKEE-UHFFFAOYSA-N 0 0 343.374 4.043 50 0 EIAARN Fc1cccc(Cl)c1Cc1nnc(SCc2ccncc2)o1 ZINC000066257604 564135354 /nfs/dbraw/zinc/13/53/54/564135354.db2.gz GNVRSYRAVNLFOT-UHFFFAOYSA-N 0 0 335.791 4.140 50 0 EIAARN CC(=O)c1ccc(C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000007951918 564136107 /nfs/dbraw/zinc/13/61/07/564136107.db2.gz KUSINTUUOXUKTI-UHFFFAOYSA-N 0 0 338.226 4.274 50 0 EIAARN Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000078848851 564137270 /nfs/dbraw/zinc/13/72/70/564137270.db2.gz GCDRXYGDMAFIPV-KUHUBIRLSA-N 0 0 343.471 4.309 50 0 EIAARN O=C(COc1ccc(Cl)cc1)N(CCC(F)(F)F)C1CCCC1 ZINC000079055283 564137730 /nfs/dbraw/zinc/13/77/30/564137730.db2.gz SHMDZMCPFDGAIQ-UHFFFAOYSA-N 0 0 349.780 4.442 50 0 EIAARN C[C@@H](NC(=O)CN(C#N)c1ccccc1)c1ccc2ccccc2c1 ZINC000079055883 564137744 /nfs/dbraw/zinc/13/77/44/564137744.db2.gz HKPBJICDEDFBJW-MRXNPFEDSA-N 0 0 329.403 4.005 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2CO)cc1 ZINC000079111234 564137926 /nfs/dbraw/zinc/13/79/26/564137926.db2.gz XVRTXPNHJNOEKF-IBGZPJMESA-N 0 0 338.451 4.108 50 0 EIAARN CC(=O)Nc1c(C)ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c1C ZINC000079183166 564137970 /nfs/dbraw/zinc/13/79/70/564137970.db2.gz MHTGZLONLKAUDQ-HOTGVXAUSA-N 0 0 340.398 4.143 50 0 EIAARN CC(C)n1cc(CCC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc21 ZINC000079189294 564138013 /nfs/dbraw/zinc/13/80/13/564138013.db2.gz HPBCDTHLHNPLFF-QGZVFWFLSA-N 0 0 342.483 4.229 50 0 biogenic EIAARN CCCCC(=O)Nc1ccc(N2CCn3c4ccccc4nc3C2)cc1 ZINC000019855269 564138163 /nfs/dbraw/zinc/13/81/63/564138163.db2.gz MRLDDYDRNCXOJE-UHFFFAOYSA-N 0 0 348.450 4.185 50 0 EIAARN CCCC(=O)Nc1ccc(N2CCn3c4ccccc4nc3C2)cc1C ZINC000019855306 564138195 /nfs/dbraw/zinc/13/81/95/564138195.db2.gz XTAPSVULJZDSHE-UHFFFAOYSA-N 0 0 348.450 4.104 50 0 EIAARN CC(C)(C)C(=O)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1 ZINC000019855272 564138211 /nfs/dbraw/zinc/13/82/11/564138211.db2.gz CLTJJBFZLXSJFZ-UHFFFAOYSA-N 0 0 348.450 4.041 50 0 EIAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1noc2c1CCCC2 ZINC000390827311 564138528 /nfs/dbraw/zinc/13/85/28/564138528.db2.gz WXOGRPOPUYTUSR-HNNXBMFYSA-N 0 0 344.461 4.196 50 0 EIAARN Cc1csc(C(=O)Nc2ccccc2-c2cn3c(n2)SCC3)c1 ZINC000390827767 564138529 /nfs/dbraw/zinc/13/85/29/564138529.db2.gz JZIBKKWXCHEDHM-UHFFFAOYSA-N 0 0 341.461 4.278 50 0 EIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)COCc1ccccc1 ZINC000390829144 564138586 /nfs/dbraw/zinc/13/85/86/564138586.db2.gz CZDRQEVAGJNJOD-QGZVFWFLSA-N 0 0 335.513 4.116 50 0 EIAARN Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1C ZINC000390830131 564138608 /nfs/dbraw/zinc/13/86/08/564138608.db2.gz IXKMJCJZTRVJDK-UHFFFAOYSA-N 0 0 341.432 4.042 50 0 EIAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)COc1ccc(F)cc1 ZINC000390830567 564138657 /nfs/dbraw/zinc/13/86/57/564138657.db2.gz LWZZNJXKVNARJX-HNNXBMFYSA-N 0 0 339.476 4.117 50 0 EIAARN CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)s2)c1 ZINC000390834260 564138931 /nfs/dbraw/zinc/13/89/31/564138931.db2.gz VGZKWTLIRZCAFY-UHFFFAOYSA-N 0 0 337.832 4.104 50 0 EIAARN Cc1cnc([C@@H](C)Nc2cnn(-c3ccccc3Br)c2)o1 ZINC000390835741 564139029 /nfs/dbraw/zinc/13/90/29/564139029.db2.gz WPWWAFIZBCXWJA-LLVKDONJSA-N 0 0 347.216 4.104 50 0 EIAARN C[C@@H](NC(=O)/C=C\c1cccs1)c1cccc(Br)c1 ZINC000080028254 564139077 /nfs/dbraw/zinc/13/90/77/564139077.db2.gz KRJSVNGHNQFKFP-SKVAFPRGSA-N 0 0 336.254 4.401 50 0 EIAARN O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@H]1c1ccccc1 ZINC000095116834 564139154 /nfs/dbraw/zinc/13/91/54/564139154.db2.gz PAVFRZGBCMYLBL-SFHVURJKSA-N 0 0 334.350 4.410 50 0 EIAARN CN1c2ccccc2C(=CNN(c2ccccc2)c2ccccc2)C1=O ZINC000095101204 564139156 /nfs/dbraw/zinc/13/91/56/564139156.db2.gz LZPKZHUPALDIEX-SILNSSARSA-N 0 0 341.414 4.347 50 0 EIAARN CCc1c(C(=O)Nc2ccc(-c3ccccc3)cn2)[nH]c(C)c1C(C)=O ZINC000095367579 564139299 /nfs/dbraw/zinc/13/92/99/564139299.db2.gz IKGKPHALSISHKU-UHFFFAOYSA-N 0 0 347.418 4.402 50 0 EIAARN Cc1cc(C(=O)N([C@H](C)c2ccc3ccccc3c2)C2CC2)n(C)n1 ZINC000095369460 564139320 /nfs/dbraw/zinc/13/93/20/564139320.db2.gz FDYVRJYOHPPATH-OAHLLOKOSA-N 0 0 333.435 4.248 50 0 EIAARN CCCNc1nnc(SCCSc2ccc(F)cc2)s1 ZINC000095389774 564139407 /nfs/dbraw/zinc/13/94/07/564139407.db2.gz WNSMGEGBULVWRO-UHFFFAOYSA-N 0 0 329.491 4.384 50 0 EIAARN O=C(N[C@@H](c1ccccc1)c1cccnc1)[C@@H]1CSc2ccccc21 ZINC000095398481 564139527 /nfs/dbraw/zinc/13/95/27/564139527.db2.gz LLHORLVBIOEIFH-QUCCMNQESA-N 0 0 346.455 4.177 50 0 EIAARN CC(C)[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccccn1 ZINC000095409950 564139645 /nfs/dbraw/zinc/13/96/45/564139645.db2.gz CNNOFLIMJQRISO-KBXCAEBGSA-N 0 0 327.428 4.307 50 0 EIAARN Cc1ccc(C[S@](=O)Cc2csc(-c3ccccn3)n2)cc1C ZINC000095412201 564139671 /nfs/dbraw/zinc/13/96/71/564139671.db2.gz ORNBBDZRSZUNAT-HSZRJFAPSA-N 0 0 342.489 4.271 50 0 EIAARN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C1=COCCC1 ZINC000095413099 564139693 /nfs/dbraw/zinc/13/96/93/564139693.db2.gz TVXZFWDJKHYYPF-AWEZNQCLSA-N 0 0 342.464 4.332 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)cc1Cl ZINC000095412390 564139716 /nfs/dbraw/zinc/13/97/16/564139716.db2.gz BPOJAMCMMIKRJG-AWEZNQCLSA-N 0 0 331.799 4.119 50 0 EIAARN Cc1ccc2c(c1)OCCC[C@@H]2NCc1nccn1Cc1ccccc1 ZINC000095423414 564140190 /nfs/dbraw/zinc/14/01/90/564140190.db2.gz SSGRQHSRJZVBJH-FQEVSTJZSA-N 0 0 347.462 4.243 50 0 EIAARN CC(=O)N1CCCc2cc(NCc3cnc(C(C)(C)C)s3)ccc21 ZINC000095428961 564140261 /nfs/dbraw/zinc/14/02/61/564140261.db2.gz QPPIHHAKDIFIOJ-UHFFFAOYSA-N 0 0 343.496 4.352 50 0 EIAARN c1csc(-c2cccc(NCc3ccc(-n4cncn4)cc3)c2)n1 ZINC000095428738 564140271 /nfs/dbraw/zinc/14/02/71/564140271.db2.gz PFWVVIRLLQKJRY-UHFFFAOYSA-N 0 0 333.420 4.003 50 0 EIAARN COc1ccc(CNc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1O ZINC000095429085 564140289 /nfs/dbraw/zinc/14/02/89/564140289.db2.gz IESLZNIWLWDWMF-UHFFFAOYSA-N 0 0 342.439 4.306 50 0 EIAARN CC1CCN(c2cccc(NCc3ccc([S@](C)=O)cc3)c2)CC1 ZINC000095429261 564140312 /nfs/dbraw/zinc/14/03/12/564140312.db2.gz IAZNVMXFQJCVKV-XMMPIXPASA-N 0 0 342.508 4.272 50 0 EIAARN Cc1c(CN[C@H](c2ccsc2)c2ccc(Cl)cc2)cnn1C ZINC000095440006 564140459 /nfs/dbraw/zinc/14/04/59/564140459.db2.gz UEECPTACWWYHTO-KRWDZBQOSA-N 0 0 331.872 4.323 50 0 EIAARN Clc1cccc(Cc2noc(-c3csc([C@@H]4CCCO4)n3)n2)c1 ZINC000095439316 564140476 /nfs/dbraw/zinc/14/04/76/564140476.db2.gz INXFNGJWDWFVIM-ZDUSSCGKSA-N 0 0 347.827 4.289 50 0 EIAARN CC1=C(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccncc2)CCCO1 ZINC000095439519 564140481 /nfs/dbraw/zinc/14/04/81/564140481.db2.gz WKYSPJXPLGFVBG-HXUWFJFHSA-N 0 0 348.402 4.118 50 0 EIAARN CCC[C@H](c1ccccn1)N(C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000095446768 564140546 /nfs/dbraw/zinc/14/05/46/564140546.db2.gz AYUFHFUHWHRCBY-FXAWDEMLSA-N 0 0 339.483 4.499 50 0 EIAARN Cc1[nH]nc(C(F)F)c1NC(=O)c1csc(-c2ccccc2)n1 ZINC000095456721 564140656 /nfs/dbraw/zinc/14/06/56/564140656.db2.gz YUVGIJPPDPBLOR-UHFFFAOYSA-N 0 0 334.351 4.032 50 0 EIAARN CC(C)(C)c1cc(N2CCC[C@@H]2c2ncc[nH]2)nc(C(C)(C)C)n1 ZINC000095467582 564141097 /nfs/dbraw/zinc/14/10/97/564141097.db2.gz KKJAQIDHHCQNGD-CYBMUJFWSA-N 0 0 327.476 4.136 50 0 EIAARN CC(C)Oc1ccccc1NC(=O)N(C[C@H](C)O)C1CCCCC1 ZINC000095467057 564141102 /nfs/dbraw/zinc/14/11/02/564141102.db2.gz STPDAAQSBVVQCS-HNNXBMFYSA-N 0 0 334.460 4.021 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C1CCCCCC1 ZINC000095469861 564141244 /nfs/dbraw/zinc/14/12/44/564141244.db2.gz QOEWXJIYTVOMIE-FQEVSTJZSA-N 0 0 340.467 4.132 50 0 EIAARN O=C1CS[C@@H](c2cccc(O)c2)c2c(ncn2-c2ccccc2)N1 ZINC000095476794 564141441 /nfs/dbraw/zinc/14/14/41/564141441.db2.gz OERTTYWLQLZEMG-KRWDZBQOSA-N 0 0 337.404 4.002 50 0 EIAARN Fc1ccc(-c2nc3nccc(-c4ccsc4)n3n2)cc1Cl ZINC000095480294 564141552 /nfs/dbraw/zinc/14/15/52/564141552.db2.gz RVOSWPUXABGJJS-UHFFFAOYSA-N 0 0 330.775 4.312 50 0 EIAARN CN(CC1CC1)C(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c21 ZINC000055521946 564141730 /nfs/dbraw/zinc/14/17/30/564141730.db2.gz MLYXEOIBEJIECG-UHFFFAOYSA-N 0 0 347.418 4.249 50 0 EIAARN CO[C@H](C(=O)OCc1nc(-c2ccccc2)oc1C)c1ccccc1 ZINC000095953029 564142366 /nfs/dbraw/zinc/14/23/66/564142366.db2.gz VLDDRKJIXWULOT-SFHVURJKSA-N 0 0 337.375 4.081 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000095953251 564142396 /nfs/dbraw/zinc/14/23/96/564142396.db2.gz WYIFFHPMNKYILY-LJQANCHMSA-N 0 0 326.440 4.368 50 0 EIAARN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCCSCC1 ZINC000095957337 564142583 /nfs/dbraw/zinc/14/25/83/564142583.db2.gz RPJQSFGUOKPZID-NWDGAFQWSA-N 0 0 330.280 4.062 50 0 EIAARN COC(=O)Nc1ccc(NC(=O)[C@@]2(C)CCCc3ccccc32)cc1 ZINC000095958450 564142640 /nfs/dbraw/zinc/14/26/40/564142640.db2.gz JCTMUPODKNNRER-FQEVSTJZSA-N 0 0 338.407 4.098 50 0 EIAARN C[C@@H](Sc1ccccc1S(C)(=O)=O)c1nc2ccccc2o1 ZINC000095993792 564144200 /nfs/dbraw/zinc/14/42/00/564144200.db2.gz HZRSZLKFMLIUNA-LLVKDONJSA-N 0 0 333.434 4.085 50 0 EIAARN C[C@@H]1COc2ccccc2CN1Cc1nc2cc(Cl)ccc2n1C ZINC000096007885 564144569 /nfs/dbraw/zinc/14/45/69/564144569.db2.gz FGNBRCWZQRXOIQ-CYBMUJFWSA-N 0 0 341.842 4.010 50 0 EIAARN C[C@H]1COc2ccccc2CN1Cc1nc2cc(Cl)ccc2n1C ZINC000096007886 564144583 /nfs/dbraw/zinc/14/45/83/564144583.db2.gz FGNBRCWZQRXOIQ-ZDUSSCGKSA-N 0 0 341.842 4.010 50 0 EIAARN CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000096012673 564144752 /nfs/dbraw/zinc/14/47/52/564144752.db2.gz LNKFAQAWSGSVLB-HNNXBMFYSA-N 0 0 332.831 4.145 50 0 EIAARN O=C(NCc1ccc(F)c(Cl)c1)Nc1cccc(C(F)(F)F)n1 ZINC000096013105 564144783 /nfs/dbraw/zinc/14/47/83/564144783.db2.gz GVDGUVVCVGHVTE-UHFFFAOYSA-N 0 0 347.699 4.215 50 0 EIAARN CCN(Cc1cnc2ccccn12)C(=O)/C=C/c1ccccc1Cl ZINC000096025061 564144918 /nfs/dbraw/zinc/14/49/18/564144918.db2.gz MVWMBUXRADRNOZ-ZHACJKMWSA-N 0 0 339.826 4.050 50 0 EIAARN CC(F)(F)CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000281822002 564145262 /nfs/dbraw/zinc/14/52/62/564145262.db2.gz LHTYICOOMPSCKI-HNNXBMFYSA-N 0 0 333.382 4.176 50 0 EIAARN CCCCc1nc(C)sc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000096118606 564145490 /nfs/dbraw/zinc/14/54/90/564145490.db2.gz HNJFOCWORWENEW-NSHDSACASA-N 0 0 342.468 4.161 50 0 EIAARN Cc1ccccc1C(=O)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000096119828 564145531 /nfs/dbraw/zinc/14/55/31/564145531.db2.gz BZCZYXNJFPJRMV-UHFFFAOYSA-N 0 0 341.457 4.279 50 0 EIAARN COC1(CNC(=O)c2cc3ccccc3o2)C2CC3CC(C2)CC1C3 ZINC000096123846 564145662 /nfs/dbraw/zinc/14/56/62/564145662.db2.gz RMMYFORYEDJPRC-UHFFFAOYSA-N 0 0 339.435 4.004 50 0 EIAARN N=C1N=NC(=N)C1=C1c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000096191561 564145923 /nfs/dbraw/zinc/14/59/23/564145923.db2.gz WJWSEZBDJKRQPZ-UHFFFAOYSA-N 0 0 349.781 4.061 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2ccco2)no1 ZINC000096293952 564146516 /nfs/dbraw/zinc/14/65/16/564146516.db2.gz QKQQZBHCKPQKSV-CJNGLKHVSA-N 0 0 339.395 4.155 50 0 EIAARN Cc1nn(-c2ccccc2)c2c1[C@@H]1c3ccccc3OC[C@@]1(C)CO2 ZINC000096306229 564146666 /nfs/dbraw/zinc/14/66/66/564146666.db2.gz SYRZSOPNMJQENZ-FPOVZHCZSA-N 0 0 332.403 4.104 50 0 EIAARN COc1ccccc1-c1nc2nccc(-c3ccc(Cl)cc3)n2n1 ZINC000096345048 564146808 /nfs/dbraw/zinc/14/68/08/564146808.db2.gz ATYPQNADFSVEKN-UHFFFAOYSA-N 0 0 336.782 4.120 50 0 EIAARN CC[C@@](CNC(=O)CCc1cccc(Cl)c1)(OC)c1ccccc1 ZINC000096391825 564147010 /nfs/dbraw/zinc/14/70/10/564147010.db2.gz GGEUSUMOORAHCW-FQEVSTJZSA-N 0 0 345.870 4.341 50 0 EIAARN Cc1ccccc1[C@@H](C)CC(=O)N1CCC(OC2CCCC2)CC1 ZINC000096407211 564147393 /nfs/dbraw/zinc/14/73/93/564147393.db2.gz KRVPADKSPZXELH-KRWDZBQOSA-N 0 0 329.484 4.439 50 0 EIAARN CCO[C@@H](C)c1nc(C(=O)N2CC[C@@H](c3ccccc3C)C2)cs1 ZINC000096416441 564147817 /nfs/dbraw/zinc/14/78/17/564147817.db2.gz IYCADFIYQKBQHT-LSDHHAIUSA-N 0 0 344.480 4.179 50 0 EIAARN CCO[C@H](C)c1nc(C(=O)N2CC[C@@H](c3ccccc3C)C2)cs1 ZINC000096416442 564147818 /nfs/dbraw/zinc/14/78/18/564147818.db2.gz IYCADFIYQKBQHT-HUUCEWRRSA-N 0 0 344.480 4.179 50 0 EIAARN Cc1noc(C)c1CNC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000096418132 564147902 /nfs/dbraw/zinc/14/79/02/564147902.db2.gz BMPIJFZXNOFSLA-UHFFFAOYSA-N 0 0 343.427 4.072 50 0 EIAARN O=c1cc(N2CCCCC2)nc2scc(-c3ccc(Cl)cc3)n21 ZINC000021782737 564148216 /nfs/dbraw/zinc/14/82/16/564148216.db2.gz KUXZNGBBHVVJKS-UHFFFAOYSA-N 0 0 345.855 4.067 50 0 EIAARN O=C(CC1CCSCC1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000096474942 564148387 /nfs/dbraw/zinc/14/83/87/564148387.db2.gz LAXZHUAWGIUHSD-UHFFFAOYSA-N 0 0 339.451 4.204 50 0 EIAARN Cc1noc(C)c1C[N@H+](C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000096479687 564148580 /nfs/dbraw/zinc/14/85/80/564148580.db2.gz IGIGLYJOXRWXOV-UHFFFAOYSA-N 0 0 343.471 4.067 50 0 EIAARN COc1ccc(NC(C)=O)cc1NCc1cc2cc(F)ccc2o1 ZINC000096482728 564148618 /nfs/dbraw/zinc/14/86/18/564148618.db2.gz MOAMQVCJBITIOG-UHFFFAOYSA-N 0 0 328.343 4.151 50 0 EIAARN O=C(/C=C\c1nc2ccccc2o1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000097288922 564149618 /nfs/dbraw/zinc/14/96/18/564149618.db2.gz IUDBSYJHUBPWAA-SWNWVQGVSA-N 0 0 346.430 4.465 50 0 EIAARN CN(C(=O)c1ccc2cc[nH]c2c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000055419113 564149790 /nfs/dbraw/zinc/14/97/90/564149790.db2.gz HBMLEBXGQLGATR-NRFANRHFSA-N 0 0 341.414 4.425 50 0 EIAARN Brc1ccc(C2=CSC(c3ccccc3)=NN2)cc1 ZINC000002488326 564149877 /nfs/dbraw/zinc/14/98/77/564149877.db2.gz YXIMYMDAUAJTAL-UHFFFAOYSA-N 0 0 331.238 4.446 50 0 EIAARN O=C(CCc1ccccc1F)NCc1cccnc1-c1ccsc1 ZINC000225646017 564150106 /nfs/dbraw/zinc/15/01/06/564150106.db2.gz WTKSGZWDMZDEIS-UHFFFAOYSA-N 0 0 340.423 4.198 50 0 EIAARN O=C(/C=C/c1ccccc1Cl)NCc1ccnc(-c2ccco2)c1 ZINC000225656306 564150154 /nfs/dbraw/zinc/15/01/54/564150154.db2.gz HDDRQIRJLCUBJS-BQYQJAHWSA-N 0 0 338.794 4.325 50 0 EIAARN CO[C@H](CNC(=O)c1ccccc1SC)c1ccc(Cl)s1 ZINC000225701531 564150342 /nfs/dbraw/zinc/15/03/42/564150342.db2.gz ZDTZWGPSXVUGIK-LLVKDONJSA-N 0 0 341.885 4.241 50 0 EIAARN Cc1ccc(C(=O)Oc2ccc3c(c2)oc(=O)c2c3CCCC2)cc1 ZINC000002552501 564150709 /nfs/dbraw/zinc/15/07/09/564150709.db2.gz RUISDDYRWSGNRL-UHFFFAOYSA-N 0 0 334.371 4.199 50 0 biogenic EIAARN COc1ccccc1C(=O)Nc1c(C)nn(Cc2ccccc2C)c1C ZINC000028231372 564150777 /nfs/dbraw/zinc/15/07/77/564150777.db2.gz PTKJCHAFMPXLMD-UHFFFAOYSA-N 0 0 349.434 4.118 50 0 EIAARN O=C(Nc1ccncc1)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000028234881 564150795 /nfs/dbraw/zinc/15/07/95/564150795.db2.gz WMRGKZZIMDWRMB-UHFFFAOYSA-N 0 0 328.755 4.159 50 0 EIAARN Clc1ncn(CCCCn2cnc(Cl)c2Cl)c1Cl ZINC000002566994 564150953 /nfs/dbraw/zinc/15/09/53/564150953.db2.gz XTGAHAHEVHGMOJ-UHFFFAOYSA-N 0 0 328.030 4.174 50 0 EIAARN Cc1cc(CNc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)no1 ZINC000055879569 564150958 /nfs/dbraw/zinc/15/09/58/564150958.db2.gz IRMUEHUOYSYPLD-GFCCVEGCSA-N 0 0 347.846 4.263 50 0 EIAARN Cc1ccc(C)c(N(C)C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c1 ZINC000055895921 564150961 /nfs/dbraw/zinc/15/09/61/564150961.db2.gz RLNRLXZQUPGDEN-CRAIPNDOSA-N 0 0 336.435 4.175 50 0 EIAARN C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000002623357 564151242 /nfs/dbraw/zinc/15/12/42/564151242.db2.gz XZVUTDJBSGTCBG-NSHDSACASA-N 0 0 345.855 4.186 50 0 EIAARN O=c1nc(CN2CCCCCC2)[nH]c2scc(-c3cccs3)c21 ZINC000002625967 564151313 /nfs/dbraw/zinc/15/13/13/564151313.db2.gz RWUQLDLNNKWJIF-UHFFFAOYSA-N 0 0 345.493 4.089 50 0 EIAARN Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)c(Br)c1 ZINC000002630696 564151445 /nfs/dbraw/zinc/15/14/45/564151445.db2.gz VZIMFBIWEHEEKZ-UHFFFAOYSA-N 0 0 343.224 4.420 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Cn3cccn3)cc2)c2ccccc2n1 ZINC000028577080 564151629 /nfs/dbraw/zinc/15/16/29/564151629.db2.gz KVXDVFWPRHBGLQ-UHFFFAOYSA-N 0 0 342.402 4.040 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2)n1 ZINC000002654336 564151939 /nfs/dbraw/zinc/15/19/39/564151939.db2.gz MOSBQDATGROHTM-UHFFFAOYSA-N 0 0 345.324 4.159 50 0 EIAARN O=C1N[C@H](c2cccc(OCc3ccccc3)c2)Oc2ccccc21 ZINC000002652823 564151943 /nfs/dbraw/zinc/15/19/43/564151943.db2.gz HLUJMXZBXPSGAN-NRFANRHFSA-N 0 0 331.371 4.087 50 0 EIAARN Cc1c(Cc2ccccc2)[nH]c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000002657929 564151994 /nfs/dbraw/zinc/15/19/94/564151994.db2.gz GOGCOLVLXNOBFR-UHFFFAOYSA-N 0 0 333.218 4.372 50 0 EIAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000002656676 564152008 /nfs/dbraw/zinc/15/20/08/564152008.db2.gz DZUOLRKXEGWWSD-MRXNPFEDSA-N 0 0 335.325 4.393 50 0 EIAARN CC(=O)c1sc(NC(=O)COc2ccc(C(C)C)c(C)c2)nc1C ZINC000002658841 564152037 /nfs/dbraw/zinc/15/20/37/564152037.db2.gz UYFQWFGNPZIZOI-UHFFFAOYSA-N 0 0 346.452 4.103 50 0 EIAARN CCCCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1ccccc1 ZINC000002721310 564152279 /nfs/dbraw/zinc/15/22/79/564152279.db2.gz OUBZOUKBOLVITE-INIZCTEOSA-N 0 0 335.451 4.256 50 0 EIAARN Cc1ccc(OCn2ccc(C(=O)Nc3c(C)cccc3C)n2)c(C)c1 ZINC000002796509 564152713 /nfs/dbraw/zinc/15/27/13/564152713.db2.gz SKCCBOINCXMHRR-UHFFFAOYSA-N 0 0 349.434 4.406 50 0 EIAARN Cc1ccc(C)c(NC(=O)Nc2nnc(N3CCCC[C@H]3C)s2)c1 ZINC000002908357 564153012 /nfs/dbraw/zinc/15/30/12/564153012.db2.gz NOGREBXIIDGVMS-CYBMUJFWSA-N 0 0 345.472 4.178 50 0 EIAARN Cc1ccc(CCNC(=O)CCSCc2ccccc2F)cc1 ZINC000002943761 564153175 /nfs/dbraw/zinc/15/31/75/564153175.db2.gz QRIKSSFGROCHHV-UHFFFAOYSA-N 0 0 331.456 4.116 50 0 EIAARN Fc1ccccc1-c1nnc2ccc(N[C@H]3CCc4ccccc43)nn21 ZINC000057136734 564153284 /nfs/dbraw/zinc/15/32/84/564153284.db2.gz WRHMGZOXLMNNRE-KRWDZBQOSA-N 0 0 345.381 4.030 50 0 EIAARN CSc1ccsc1C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000303979643 564153300 /nfs/dbraw/zinc/15/33/00/564153300.db2.gz DVGOKLQUWMPCMZ-HNNXBMFYSA-N 0 0 343.473 4.087 50 0 EIAARN COc1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1Cl ZINC000057406376 564153992 /nfs/dbraw/zinc/15/39/92/564153992.db2.gz CNOJHUIZJLSGMJ-STQMWFEESA-N 0 0 344.842 4.127 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(F)c(Cl)c3)[nH]n2)cc1 ZINC000057477263 564154422 /nfs/dbraw/zinc/15/44/22/564154422.db2.gz LBWGYOBXWKAKTP-UHFFFAOYSA-N 0 0 343.789 4.108 50 0 EIAARN CCc1nc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2nc1CC ZINC000003033910 564154562 /nfs/dbraw/zinc/15/45/62/564154562.db2.gz CJBAEEXWGFKBAU-HBUWYVDXSA-N 0 0 339.483 4.309 50 0 EIAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000057541697 564154888 /nfs/dbraw/zinc/15/48/88/564154888.db2.gz GSTPRLPRMATUJM-KBPBESRZSA-N 0 0 331.460 4.099 50 0 EIAARN CCCCNC(=O)Oc1cc(Cl)c2oc(=O)sc2c1Cl ZINC000003117234 564155261 /nfs/dbraw/zinc/15/52/61/564155261.db2.gz KSKUUHBYHYFSSH-UHFFFAOYSA-N 0 0 336.196 4.050 50 0 EIAARN COc1cccc(CN(C)[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000057848827 564156177 /nfs/dbraw/zinc/15/61/77/564156177.db2.gz NRWQQLJOLLERBU-HNNXBMFYSA-N 0 0 336.435 4.188 50 0 EIAARN O=C(CSc1ccc(Br)cc1)N1CCc2ccccc21 ZINC000003221800 564156205 /nfs/dbraw/zinc/15/62/05/564156205.db2.gz JTRZUNFUEKEDSQ-UHFFFAOYSA-N 0 0 348.265 4.131 50 0 EIAARN O=C(NC1=NN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000003242556 564156528 /nfs/dbraw/zinc/15/65/28/564156528.db2.gz WNXZPEOUEQFMIU-UHFFFAOYSA-N 0 0 348.328 4.051 50 0 EIAARN Cc1sc2ncnc(SCC(=O)NCC3CCCCC3)c2c1C ZINC000003254067 564156616 /nfs/dbraw/zinc/15/66/16/564156616.db2.gz BANBIBNPWRONMM-UHFFFAOYSA-N 0 0 349.525 4.097 50 0 EIAARN O=C(c1ccc(F)cc1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003256363 564156661 /nfs/dbraw/zinc/15/66/61/564156661.db2.gz VJSJNYGWSAIJDQ-UHFFFAOYSA-N 0 0 342.329 4.075 50 0 EIAARN CC(C)(C)c1cc(NC(=O)Cc2ccccc2)n(-c2ccccc2)n1 ZINC000003321207 564157277 /nfs/dbraw/zinc/15/72/77/564157277.db2.gz VOPKSSXVGHWBGY-UHFFFAOYSA-N 0 0 333.435 4.351 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)c1c(C)[nH]c2ccccc21)c1ccccc1 ZINC000003317995 564157281 /nfs/dbraw/zinc/15/72/81/564157281.db2.gz UCPYDXPMRXXCSZ-MRXNPFEDSA-N 0 0 335.403 4.396 50 0 EIAARN Cc1ccsc1C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003318523 564157295 /nfs/dbraw/zinc/15/72/95/564157295.db2.gz XLZGTEBSGXROMS-UHFFFAOYSA-N 0 0 344.219 4.159 50 0 EIAARN COc1ccc(Nc2nc(C)nc3sc4c(c32)CCC4)cc1OC ZINC000003333316 564157396 /nfs/dbraw/zinc/15/73/96/564157396.db2.gz RXPOWVIBJCTXFT-UHFFFAOYSA-N 0 0 341.436 4.249 50 0 EIAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1 ZINC000003342318 564157509 /nfs/dbraw/zinc/15/75/09/564157509.db2.gz BJHIBZUENZCQLH-UHFFFAOYSA-N 0 0 326.367 4.064 50 0 EIAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)cn2c1S[C@@H](C)C2=O ZINC000003345015 564157525 /nfs/dbraw/zinc/15/75/25/564157525.db2.gz WPUZCNVJKVJSLW-VIFPVBQESA-N 0 0 335.812 4.120 50 0 EIAARN C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000003356317 564157629 /nfs/dbraw/zinc/15/76/29/564157629.db2.gz PQORYTRBVCGMRB-MRVPVSSYSA-N 0 0 328.721 4.196 50 0 EIAARN C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003358025 564157678 /nfs/dbraw/zinc/15/76/78/564157678.db2.gz YVHRNTSRPKXGDU-AWEZNQCLSA-N 0 0 349.883 4.329 50 0 EIAARN Cc1ccc2c(CC(=O)Nc3cnn(-c4ccccc4)c3)coc2c1 ZINC000058159536 564157869 /nfs/dbraw/zinc/15/78/69/564157869.db2.gz MGJNBJCBTYTSPD-UHFFFAOYSA-N 0 0 331.375 4.108 50 0 EIAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 ZINC000003399070 564157926 /nfs/dbraw/zinc/15/79/26/564157926.db2.gz VRUBSGRKRVURBT-UHFFFAOYSA-N 0 0 347.370 4.100 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)CNc1ccc(F)c(Cl)c1 ZINC000003398484 564157945 /nfs/dbraw/zinc/15/79/45/564157945.db2.gz DYKFQTRUDLRTTP-UHFFFAOYSA-N 0 0 327.186 4.492 50 0 EIAARN COc1ccc(F)cc1-c1csc(-n2nccc2C(F)(F)F)n1 ZINC000003406294 564158014 /nfs/dbraw/zinc/15/80/14/564158014.db2.gz PBKFHYAEZYMNTG-UHFFFAOYSA-N 0 0 343.305 4.162 50 0 EIAARN C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000003419745 564158024 /nfs/dbraw/zinc/15/80/24/564158024.db2.gz SQFSEQVNCZMFRN-NSHDSACASA-N 0 0 341.304 4.101 50 0 EIAARN Cc1csc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000003413862 564158037 /nfs/dbraw/zinc/15/80/37/564158037.db2.gz UNZBUOZWYPTHHQ-UHFFFAOYSA-N 0 0 333.265 4.489 50 0 EIAARN CCN(C(=O)COc1ccc(C(C)=O)cc1)c1cccc2ccccc21 ZINC000003424664 564158054 /nfs/dbraw/zinc/15/80/54/564158054.db2.gz DELCKSFTUYLTNF-UHFFFAOYSA-N 0 0 347.414 4.474 50 0 EIAARN O=C(NCc1ccco1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000003437416 564158127 /nfs/dbraw/zinc/15/81/27/564158127.db2.gz ICLCAHWKKOENEJ-UHFFFAOYSA-N 0 0 341.794 4.442 50 0 EIAARN CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000003445140 564158164 /nfs/dbraw/zinc/15/81/64/564158164.db2.gz IJYPQHKGLCYKGZ-UHFFFAOYSA-N 0 0 336.338 4.126 50 0 EIAARN Nn1c(SCc2ccc(F)cc2Cl)nnc1C1CCCCC1 ZINC000003449187 564158218 /nfs/dbraw/zinc/15/82/18/564158218.db2.gz MXXVJNWAOFKKAW-UHFFFAOYSA-N 0 0 340.855 4.124 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1cccc(F)c1 ZINC000003453932 564158236 /nfs/dbraw/zinc/15/82/36/564158236.db2.gz CCKHOZLCLWMZDK-UHFFFAOYSA-N 0 0 328.431 4.328 50 0 EIAARN Cc1ccc(C)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 ZINC000003467577 564158283 /nfs/dbraw/zinc/15/82/83/564158283.db2.gz CQJACOODJMREAO-UHFFFAOYSA-N 0 0 343.732 4.020 50 0 EIAARN COc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000003473911 564158293 /nfs/dbraw/zinc/15/82/93/564158293.db2.gz FYUMQHYVDHPMLV-UHFFFAOYSA-N 0 0 341.354 4.445 50 0 EIAARN O=C(COc1ccc(Nc2ccccc2)cc1)NCc1ccccc1 ZINC000003480366 564158371 /nfs/dbraw/zinc/15/83/71/564158371.db2.gz YDRVEWGXYFMFPX-UHFFFAOYSA-N 0 0 332.403 4.125 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)C1(C)C ZINC000031073699 564158685 /nfs/dbraw/zinc/15/86/85/564158685.db2.gz NUCDAUJKXVEABC-DLBZAZTESA-N 0 0 342.483 4.392 50 0 EIAARN Cc1cccc2sc(NC(=O)c3ccc(OC(F)F)cc3)nc21 ZINC000003524356 564158698 /nfs/dbraw/zinc/15/86/98/564158698.db2.gz GZAQPEPOZBTUME-UHFFFAOYSA-N 0 0 334.347 4.458 50 0 EIAARN COc1ccc2c(CC(=O)Nc3cc(Cl)ccc3OC)coc2c1 ZINC000003549879 564158929 /nfs/dbraw/zinc/15/89/29/564158929.db2.gz CBFMYONASATLPU-UHFFFAOYSA-N 0 0 345.782 4.285 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc(C)ccc23)c1 ZINC000003555960 564158943 /nfs/dbraw/zinc/15/89/43/564158943.db2.gz IRXTZGVYKBHFOA-UHFFFAOYSA-N 0 0 337.375 4.017 50 0 EIAARN CC(C)(O)Cn1nc(C2CC2)nc1Cc1ccc(-c2ccccc2)cc1 ZINC000670448697 564159207 /nfs/dbraw/zinc/15/92/07/564159207.db2.gz QLOPLAUYVLQJNB-UHFFFAOYSA-N 0 0 347.462 4.184 50 0 EIAARN CCc1ccccc1N[C@H]1c2ccccc2C(=O)N1c1cccnc1 ZINC000003959027 564159802 /nfs/dbraw/zinc/15/98/02/564159802.db2.gz BFLDRLIKACFCMF-HXUWFJFHSA-N 0 0 329.403 4.415 50 0 EIAARN O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1Cl ZINC000004015838 564160023 /nfs/dbraw/zinc/16/00/23/564160023.db2.gz OCGIXRYPQDPEGM-MHGIMSBQSA-N 0 0 341.838 4.356 50 0 EIAARN O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1Cl ZINC000004033022 564160148 /nfs/dbraw/zinc/16/01/48/564160148.db2.gz ABZGVSQBYXCLKU-UHFFFAOYSA-N 0 0 348.793 4.302 50 0 EIAARN CC(C)Sc1nnc(NC(=O)c2ccc3ccccc3c2)s1 ZINC000004079438 564160388 /nfs/dbraw/zinc/16/03/88/564160388.db2.gz LFSXGYRJYIZYPV-UHFFFAOYSA-N 0 0 329.450 4.444 50 0 EIAARN CCCSc1nnc(NC(=O)c2c(F)cccc2Cl)s1 ZINC000004079402 564160399 /nfs/dbraw/zinc/16/03/99/564160399.db2.gz MRXNYSDCKODIFR-UHFFFAOYSA-N 0 0 331.825 4.085 50 0 EIAARN NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004119579 564160697 /nfs/dbraw/zinc/16/06/97/564160697.db2.gz MWGZSNLLUOVUNK-UHFFFAOYSA-N 0 0 333.456 4.197 50 0 EIAARN CC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1 ZINC000004162545 564160945 /nfs/dbraw/zinc/16/09/45/564160945.db2.gz UUQMHICLFSDEER-UHFFFAOYSA-N 0 0 328.755 4.297 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000004173469 564160971 /nfs/dbraw/zinc/16/09/71/564160971.db2.gz XWHOWKOSIKXHKL-UHFFFAOYSA-N 0 0 344.219 4.484 50 0 EIAARN C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000004174479 564160989 /nfs/dbraw/zinc/16/09/89/564160989.db2.gz IOVFEZHGRVSDRP-GFCCVEGCSA-N 0 0 341.461 4.324 50 0 EIAARN O=c1nc(/C=C/c2ccc(Br)cc2)oc2ccccc12 ZINC000004174771 564160990 /nfs/dbraw/zinc/16/09/90/564160990.db2.gz MIWSMVFRSRGVDM-JXMROGBWSA-N 0 0 328.165 4.121 50 0 EIAARN Nc1cc(-c2cccc(Br)c2)nn1CC1CCCCC1 ZINC000032265642 564161148 /nfs/dbraw/zinc/16/11/48/564161148.db2.gz RQYOYLRYEDQVPK-UHFFFAOYSA-N 0 0 334.261 4.475 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000004263025 564161362 /nfs/dbraw/zinc/16/13/62/564161362.db2.gz GTXPSLNLMBRBMK-LBPRGKRZSA-N 0 0 330.453 4.307 50 0 EIAARN CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000007981244 564161760 /nfs/dbraw/zinc/16/17/60/564161760.db2.gz SOYVTOBFCLFZGN-IBGZPJMESA-N 0 0 342.826 4.087 50 0 EIAARN C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1cccnc1 ZINC000007990905 564162042 /nfs/dbraw/zinc/16/20/42/564162042.db2.gz GRWHBMUSJYDXMI-INIZCTEOSA-N 0 0 332.403 4.152 50 0 EIAARN CCCc1nc2ccccc2n1CC(=O)N(CC)C1CCCCC1 ZINC000008013101 564162146 /nfs/dbraw/zinc/16/21/46/564162146.db2.gz PRRUIMDDMGKNPO-UHFFFAOYSA-N 0 0 327.472 4.170 50 0 EIAARN Cc1cc2cc(C[N@H+]3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)oc2cc1C ZINC000263464575 564162163 /nfs/dbraw/zinc/16/21/63/564162163.db2.gz CKIPSYKSFMODJM-WBAXXEDZSA-N 0 0 327.424 4.267 50 0 EIAARN O=C(CCSc1ccc(F)c(F)c1)N[C@H]1CCOc2ccccc21 ZINC000008029520 564162254 /nfs/dbraw/zinc/16/22/54/564162254.db2.gz AOQOCBAVABIMMM-INIZCTEOSA-N 0 0 349.402 4.087 50 0 EIAARN Cc1cc(NCc2ccc(C(=O)NC3CC3)cc2)nc2ccccc12 ZINC000066387244 564162283 /nfs/dbraw/zinc/16/22/83/564162283.db2.gz AOUOMXQYSWADPI-UHFFFAOYSA-N 0 0 331.419 4.048 50 0 EIAARN 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ZINC000008993079 564168498 /nfs/dbraw/zinc/16/84/98/564168498.db2.gz IXOGSVDJASZMCX-UHFFFAOYSA-N 0 0 339.424 4.016 50 0 EIAARN CCCOc1nn(CCC)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000009070893 564168782 /nfs/dbraw/zinc/16/87/82/564168782.db2.gz DBYJELWUJYDBLK-UHFFFAOYSA-N 0 0 329.444 4.458 50 0 EIAARN COc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1OC ZINC000009114168 564169027 /nfs/dbraw/zinc/16/90/27/564169027.db2.gz UJHOYWWWIFJSNX-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN CC(C)C[C@H](NC(=O)Cc1ccsc1)c1nc2ccccc2[nH]1 ZINC000009115216 564169044 /nfs/dbraw/zinc/16/90/44/564169044.db2.gz USQVAQQIISBGFI-INIZCTEOSA-N 0 0 327.453 4.071 50 0 EIAARN C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccncc1 ZINC000009118271 564169071 /nfs/dbraw/zinc/16/90/71/564169071.db2.gz GMQZZFMALXHHSF-AWEZNQCLSA-N 0 0 330.387 4.401 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N(Cc1ccccn1)C1CC1 ZINC000069385281 564169132 /nfs/dbraw/zinc/16/91/32/564169132.db2.gz OZXYACYRGHBROK-QZTJIDSGSA-N 0 0 326.827 4.030 50 0 EIAARN COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)c(F)c1 ZINC000069414258 564169172 /nfs/dbraw/zinc/16/91/72/564169172.db2.gz WHSJGBZWKAMYCJ-HNNXBMFYSA-N 0 0 348.399 4.043 50 0 EIAARN O=C(CCc1ccsc1)Nc1ccc(NCc2ccccn2)cc1 ZINC000069424804 564169437 /nfs/dbraw/zinc/16/94/37/564169437.db2.gz ZHHUXASSJYRPNX-UHFFFAOYSA-N 0 0 337.448 4.327 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000040478423 564169753 /nfs/dbraw/zinc/16/97/53/564169753.db2.gz UAAVCQWAQYHKIP-GFCCVEGCSA-N 0 0 325.799 4.221 50 0 EIAARN CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(F)c3)ccc21 ZINC000009136914 564170392 /nfs/dbraw/zinc/17/03/92/564170392.db2.gz QLTNUMWKFKOPHZ-UHFFFAOYSA-N 0 0 340.398 4.157 50 0 EIAARN CCCCN1c2ccc(NC(=O)c3cc(C)on3)c3cccc(c23)C1=O ZINC000009206257 564171134 /nfs/dbraw/zinc/17/11/34/564171134.db2.gz CRESQBXCHSKGJZ-UHFFFAOYSA-N 0 0 349.390 4.149 50 0 EIAARN CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1C ZINC000009210578 564171199 /nfs/dbraw/zinc/17/11/99/564171199.db2.gz FNDZSKRQOLJRPT-UHFFFAOYSA-N 0 0 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COc1ccc(C(=O)N(C)Cc2ccc(F)c(F)c2)c2ccccc12 ZINC000032760775 202233658 /nfs/dbraw/zinc/23/36/58/202233658.db2.gz JUIFNKIPMGXLMK-UHFFFAOYSA-N 0 0 341.357 4.399 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)sc1C ZINC000032776635 202233827 /nfs/dbraw/zinc/23/38/27/202233827.db2.gz HFJWGZIPWLOZJL-INIZCTEOSA-N 0 0 331.437 4.175 50 0 EIAARN CCC[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000032795336 202234813 /nfs/dbraw/zinc/23/48/13/202234813.db2.gz GMCUPJKJDFOZFN-YOEHRIQHSA-N 0 0 340.423 4.317 50 0 EIAARN Cc1ccccc1CCNC(=O)N[C@H]1CCSc2ccccc21 ZINC000032795068 202234837 /nfs/dbraw/zinc/23/48/37/202234837.db2.gz XTHSCIDXZQRUMI-KRWDZBQOSA-N 0 0 326.465 4.074 50 0 EIAARN COc1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1OC(C)C ZINC000032781408 202234917 /nfs/dbraw/zinc/23/49/17/202234917.db2.gz WZYXYIURBSVBRI-CYBMUJFWSA-N 0 0 345.464 4.303 50 0 EIAARN C[C@]1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1(Cl)Cl ZINC000032818710 202236807 /nfs/dbraw/zinc/23/68/07/202236807.db2.gz UFYLVLMLLIKTPB-CQSZACIVSA-N 0 0 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WPKUZMKFFPYSRP-AOOOYVTPSA-N 0 0 340.320 4.364 50 0 EIAARN O=C(Nc1cccc(Cl)c1)Nc1cccc(NC(=O)NC2CC2)c1 ZINC000032826244 202237857 /nfs/dbraw/zinc/23/78/57/202237857.db2.gz OFBOMWDZRPJSQZ-UHFFFAOYSA-N 0 0 344.802 4.268 50 0 EIAARN Cc1cc(C(=O)NC2CCCCCCC2)c(C)n1Cc1ccccn1 ZINC000032656469 202230106 /nfs/dbraw/zinc/23/01/06/202230106.db2.gz NEGDPVSKPBSAMJ-UHFFFAOYSA-N 0 0 339.483 4.391 50 0 EIAARN O=C(Cc1csc(Cc2ccccc2)n1)NC1CCCCCC1 ZINC000032657955 202230196 /nfs/dbraw/zinc/23/01/96/202230196.db2.gz LUDXTLJMBCGQED-UHFFFAOYSA-N 0 0 328.481 4.115 50 0 EIAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1-c1ccccc1 ZINC000033066485 202248059 /nfs/dbraw/zinc/24/80/59/202248059.db2.gz FZRPVKVGHNLCNM-UHFFFAOYSA-N 0 0 342.398 4.491 50 0 EIAARN CC[C@@H]1CN(CC(=O)Nc2ccc(OC)cc2)c2ccccc2S1 ZINC000033059289 202248431 /nfs/dbraw/zinc/24/84/31/202248431.db2.gz VKHJMQQZPVBIBQ-MRXNPFEDSA-N 0 0 342.464 4.025 50 0 EIAARN Fc1ccc([C@@H]2CCCN2Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000032901233 202240363 /nfs/dbraw/zinc/24/03/63/202240363.db2.gz NVMVQEMDRCLTOM-KRWDZBQOSA-N 0 0 329.806 4.464 50 0 EIAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc2ncccc21 ZINC000032903510 202240454 /nfs/dbraw/zinc/24/04/54/202240454.db2.gz FZZIZXLUWUVXTE-FQEVSTJZSA-N 0 0 333.435 4.331 50 0 EIAARN O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(OC(F)(F)F)c1 ZINC000032908578 202241158 /nfs/dbraw/zinc/24/11/58/202241158.db2.gz ZPNKNTJDWJXAIP-UHFFFAOYSA-N 0 0 335.325 4.255 50 0 EIAARN Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c(O)c1 ZINC000032911050 202241373 /nfs/dbraw/zinc/24/13/73/202241373.db2.gz VHQWHZFHKAESPU-NRFANRHFSA-N 0 0 346.382 4.482 50 0 EIAARN O=C(Nc1ccnc2ccccc21)c1ccc(F)cc1Br ZINC000032912882 202242169 /nfs/dbraw/zinc/24/21/69/202242169.db2.gz NVPJAHFDNFBUCC-UHFFFAOYSA-N 0 0 345.171 4.389 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3nc4ccccc4[nH]3)s2)o1 ZINC000032922691 202243043 /nfs/dbraw/zinc/24/30/43/202243043.db2.gz VOCKQATWRZFJQK-UHFFFAOYSA-N 0 0 338.392 4.149 50 0 EIAARN COc1cc(C)ccc1OC(=O)c1csc(-c2ccc(C)o2)n1 ZINC000032922805 202243151 /nfs/dbraw/zinc/24/31/51/202243151.db2.gz RBXXUJGHBOPTAL-UHFFFAOYSA-N 0 0 329.377 4.248 50 0 EIAARN Cc1cc(CNC(=O)CSCc2cccc(Cl)c2)cc(C)c1O ZINC000032937102 202243478 /nfs/dbraw/zinc/24/34/78/202243478.db2.gz NXKFSCQCAQUYPR-UHFFFAOYSA-N 0 0 349.883 4.212 50 0 EIAARN CSc1cccc(NC(=O)c2ccc(-c3noc(C)n3)cc2)c1 ZINC000032971410 202245428 /nfs/dbraw/zinc/24/54/28/202245428.db2.gz UOHBNVZXDLPTDO-UHFFFAOYSA-N 0 0 325.393 4.019 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1ccccn1 ZINC000032973725 202245492 /nfs/dbraw/zinc/24/54/92/202245492.db2.gz YRQFXYDQQMDCKL-MRXNPFEDSA-N 0 0 332.403 4.152 50 0 EIAARN CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000032960825 202245508 /nfs/dbraw/zinc/24/55/08/202245508.db2.gz USEVFGBXFDSJRU-RDJZCZTQSA-N 0 0 325.408 4.118 50 0 EIAARN CCCNC(=O)c1cccc(Nc2ccnc(-c3ccc(C)cc3)n2)c1 ZINC000033025218 202247057 /nfs/dbraw/zinc/24/70/57/202247057.db2.gz VEGORLGHSOSEAQ-UHFFFAOYSA-N 0 0 346.434 4.335 50 0 EIAARN CCc1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cc1 ZINC000033254288 202252532 /nfs/dbraw/zinc/25/25/32/202252532.db2.gz RHGCSGBVEMJULK-UHFFFAOYSA-N 0 0 333.391 4.429 50 0 EIAARN Cc1ccc(C(=O)c2sc(Nc3cccc(F)c3)nc2N)cc1 ZINC000033251700 202252670 /nfs/dbraw/zinc/25/26/70/202252670.db2.gz QKVKTUIQCITDSY-UHFFFAOYSA-N 0 0 327.384 4.147 50 0 EIAARN CCc1cccc(Nc2nc(N)c(C(=O)c3ccccc3F)s2)c1 ZINC000033251753 202252898 /nfs/dbraw/zinc/25/28/98/202252898.db2.gz AOLUDBOXOYRWMY-UHFFFAOYSA-N 0 0 341.411 4.401 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)NCc3ccccc3Cl)cc2)no1 ZINC000033257369 202253533 /nfs/dbraw/zinc/25/35/33/202253533.db2.gz FORSPTHBHKPJGA-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033261094 202253565 /nfs/dbraw/zinc/25/35/65/202253565.db2.gz XDHRQRIWPIMXBE-OAHLLOKOSA-N 0 0 346.434 4.416 50 0 EIAARN CN(C)c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000033255543 202253571 /nfs/dbraw/zinc/25/35/71/202253571.db2.gz XGNDPFFILCKOOH-UHFFFAOYSA-N 0 0 344.212 4.232 50 0 EIAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NC(C)C)c3)nn2)cc1 ZINC000033257968 202253599 /nfs/dbraw/zinc/25/35/99/202253599.db2.gz BZBHIKVZQQMTAB-UHFFFAOYSA-N 0 0 346.434 4.334 50 0 EIAARN COc1cccc2cc3c(=O)n(-c4cc(Cl)ccc4C)nc-3oc21 ZINC000033261810 202253620 /nfs/dbraw/zinc/25/36/20/202253620.db2.gz HYURFRRFOVBNBW-UHFFFAOYSA-N 0 0 340.766 4.054 50 0 EIAARN CCCNC(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1 ZINC000033261237 202253937 /nfs/dbraw/zinc/25/39/37/202253937.db2.gz DFGWNPRGDQZTCJ-UHFFFAOYSA-N 0 0 346.434 4.335 50 0 EIAARN CC(C)NC(=O)Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1 ZINC000033257478 202254167 /nfs/dbraw/zinc/25/41/67/202254167.db2.gz DZTFLFUHJORGQY-VAWYXSNFSA-N 0 0 348.406 4.437 50 0 EIAARN COc1cc(C)nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc21 ZINC000033278719 202255285 /nfs/dbraw/zinc/25/52/85/202255285.db2.gz MGFDNEWUDFPMCF-UHFFFAOYSA-N 0 0 343.333 4.474 50 0 EIAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2c(C)noc2CC)cc1 ZINC000033270600 202255591 /nfs/dbraw/zinc/25/55/91/202255591.db2.gz CRVDDHDMHGPCGP-INIZCTEOSA-N 0 0 343.427 4.313 50 0 EIAARN Cc1cccc(NC(=O)Cc2csc(COc3ccccc3)n2)c1 ZINC000033326220 202258826 /nfs/dbraw/zinc/25/88/26/202258826.db2.gz KSBRGFWAGRCFOO-UHFFFAOYSA-N 0 0 338.432 4.212 50 0 EIAARN Cc1cc(N2CCCC2)nc2ccc(NC(=O)c3ccccc3)cc12 ZINC000033084627 202249640 /nfs/dbraw/zinc/24/96/40/202249640.db2.gz NKOSPGXDTGFWEM-UHFFFAOYSA-N 0 0 331.419 4.396 50 0 EIAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1cccc(C)c1 ZINC000033085963 202249758 /nfs/dbraw/zinc/24/97/58/202249758.db2.gz FBVARXWTPOCJFR-UHFFFAOYSA-N 0 0 334.423 4.037 50 0 EIAARN Cc1ccc(Nc2nc(C(=O)N(C)Cc3ccco3)cs2)c(C)c1 ZINC000033138797 202250717 /nfs/dbraw/zinc/25/07/17/202250717.db2.gz YSETYHDSEZOMRA-UHFFFAOYSA-N 0 0 341.436 4.369 50 0 EIAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(c2ccccc2)=NO1 ZINC000033146374 202251638 /nfs/dbraw/zinc/25/16/38/202251638.db2.gz DBCVZVYUEBUNMO-HNNXBMFYSA-N 0 0 335.190 4.125 50 0 EIAARN Cc1cc(N2CCOCC2)ccc1NC(=O)c1cccc2ccccc21 ZINC000033186007 202251822 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202267131 /nfs/dbraw/zinc/26/71/31/202267131.db2.gz OUASFPSSZIXAOE-UHFFFAOYSA-N 0 0 346.382 4.283 50 0 EIAARN O=C(c1ccccc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000033545354 202267143 /nfs/dbraw/zinc/26/71/43/202267143.db2.gz ZRIUVXBUBYAMPK-UHFFFAOYSA-N 0 0 328.774 4.159 50 0 EIAARN O=C(N/C=C\n1cnc2cc(C(F)(F)F)ccc21)c1ccccc1F ZINC000033687863 202269296 /nfs/dbraw/zinc/26/92/96/202269296.db2.gz XFUGLTLQINBWPQ-FPLPWBNLSA-N 0 0 349.287 4.052 50 0 EIAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(C(C)C)cc2)N1 ZINC000034685253 202275026 /nfs/dbraw/zinc/27/50/26/202275026.db2.gz PYFUFWIRRAVVMB-VQTJNVASSA-N 0 0 348.446 4.068 50 0 biogenic EIAARN O=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)c1ccc(F)cc1 ZINC000034795021 202277045 /nfs/dbraw/zinc/27/70/45/202277045.db2.gz XETRWEMCIYHFDN-UHFFFAOYSA-N 0 0 339.345 4.485 50 0 EIAARN CCc1[nH]nc(CCc2ccccc2)c1NC(=O)c1cccc(OC)c1 ZINC000034795333 202277551 /nfs/dbraw/zinc/27/75/51/202277551.db2.gz BLLMKIGWRGOVRB-UHFFFAOYSA-N 0 0 349.434 4.018 50 0 EIAARN O=C(Nc1c(-c2ccccc2)n[nH]c1C1CC1)c1c(F)cccc1F ZINC000034796881 202277889 /nfs/dbraw/zinc/27/78/89/202277889.db2.gz KZTLKRADCHWUHY-UHFFFAOYSA-N 0 0 339.345 4.485 50 0 EIAARN CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C1CC1 ZINC000034795592 202278135 /nfs/dbraw/zinc/27/81/35/202278135.db2.gz AJHCKAWIYTYHOH-UHFFFAOYSA-N 0 0 337.345 4.397 50 0 EIAARN Nn1c(SC/C=C\c2ccccc2)nnc1-c1ccccc1Cl ZINC000034859342 202278952 /nfs/dbraw/zinc/27/89/52/202278952.db2.gz BZHIKPWRENPDCE-TWGQIWQCSA-N 0 0 342.855 4.118 50 0 EIAARN CCn1nc(C(=O)N[C@@H](C)c2ccccc2)cc1-c1cccc(F)c1 ZINC000034901678 202279764 /nfs/dbraw/zinc/27/97/64/202279764.db2.gz SCJXTKFRRIYRQN-AWEZNQCLSA-N 0 0 337.398 4.200 50 0 EIAARN Cn1nc(C(=O)N2CCCCC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902104 202279878 /nfs/dbraw/zinc/27/98/78/202279878.db2.gz SQCIIZYKHNQZDX-UHFFFAOYSA-N 0 0 325.456 4.011 50 0 EIAARN CC[C@@H](C)NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nn1CC ZINC000034903267 202280527 /nfs/dbraw/zinc/28/05/27/202280527.db2.gz MALXKALCFGUVGA-LLVKDONJSA-N 0 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/nfs/dbraw/zinc/31/15/31/202311531.db2.gz MMPBPYQWPPMWAJ-UHFFFAOYSA-N 0 0 342.782 4.393 50 0 EIAARN Cc1ccc(C)c(-c2cc(CN(C)C(=O)c3cccs3)no2)c1 ZINC000036005645 202311896 /nfs/dbraw/zinc/31/18/96/202311896.db2.gz QXZMDPPPRWIVMR-UHFFFAOYSA-N 0 0 326.421 4.292 50 0 EIAARN Cn1ccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 ZINC000036048346 202313148 /nfs/dbraw/zinc/31/31/48/202313148.db2.gz WZZVOLNXFDTMPS-UHFFFAOYSA-N 0 0 326.787 4.385 50 0 EIAARN CC(C)c1ccccc1OCc1nc(C(=O)N2CCCC2)cs1 ZINC000036083954 202313346 /nfs/dbraw/zinc/31/33/46/202313346.db2.gz GMPZNRVQNSTNPK-UHFFFAOYSA-N 0 0 330.453 4.082 50 0 EIAARN Cc1cc(OCc2nc(C(=O)NCC(C)C)cs2)ccc1Cl ZINC000036084316 202313592 /nfs/dbraw/zinc/31/35/92/202313592.db2.gz RNOTYKYTDHERKU-UHFFFAOYSA-N 0 0 338.860 4.070 50 0 EIAARN O[C@H](Cc1ccccc1)CN(Cc1ccco1)Cc1ccccc1F ZINC000036102972 202315863 /nfs/dbraw/zinc/31/58/63/202315863.db2.gz PYJNKBVOAHIUGV-LJQANCHMSA-N 0 0 339.410 4.025 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@H](OCc3ccc(F)c(F)c3)C2)c1 ZINC000036315138 202321616 /nfs/dbraw/zinc/32/16/16/202321616.db2.gz MHLGYRAOXLGTEB-KRWDZBQOSA-N 0 0 345.389 4.095 50 0 EIAARN Cc1cccc(NC(=O)c2cc3occc3n2Cc2ccccc2)n1 ZINC000036359257 202322470 /nfs/dbraw/zinc/32/24/70/202322470.db2.gz CHXJYFCFBABZDU-UHFFFAOYSA-N 0 0 331.375 4.238 50 0 EIAARN O=C1C[C@@H](c2ccc(F)cc2)c2sc(N3CCCCC3)nc2N1 ZINC000036359327 202322561 /nfs/dbraw/zinc/32/25/61/202322561.db2.gz WBZCMPIAXNWLQM-ZDUSSCGKSA-N 0 0 331.416 4.396 50 0 EIAARN O=C1C[C@@H](c2c(F)cccc2F)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036358021 202322659 /nfs/dbraw/zinc/32/26/59/202322659.db2.gz KFHBEQSJEMSNAU-LBPRGKRZSA-N 0 0 343.308 4.413 50 0 EIAARN O=C1C[C@@H](c2cccc(O)c2)c2ncn(-c3cccc(Cl)c3)c2N1 ZINC000036358102 202322857 /nfs/dbraw/zinc/32/28/57/202322857.db2.gz KZPGPCYSZNXULA-HNNXBMFYSA-N 0 0 339.782 4.355 50 0 EIAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccc(F)c2)cc1 ZINC000036358469 202323153 /nfs/dbraw/zinc/32/31/53/202323153.db2.gz LUANFHGHTWLMRG-MRXNPFEDSA-N 0 0 337.354 4.144 50 0 EIAARN CCc1ccc(C(=O)c2ccccc2I)cc1 ZINC000036941871 202333966 /nfs/dbraw/zinc/33/39/66/202333966.db2.gz FMCYTJGVOGMFSV-UHFFFAOYSA-N 0 0 336.172 4.085 50 0 EIAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2F)c1 ZINC000036366451 202324082 /nfs/dbraw/zinc/32/40/82/202324082.db2.gz BYBBRQREVWLDMF-CQSZACIVSA-N 0 0 337.354 4.144 50 0 EIAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000036390513 202325080 /nfs/dbraw/zinc/32/50/80/202325080.db2.gz SDDYUTYBFAEAHK-UGSOOPFHSA-N 0 0 325.408 4.151 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000036563205 202325886 /nfs/dbraw/zinc/32/58/86/202325886.db2.gz HPQBCMJFIZDZEK-WOJBJXKFSA-N 0 0 339.435 4.126 50 0 EIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1C ZINC000036620315 202326739 /nfs/dbraw/zinc/32/67/39/202326739.db2.gz PTPAANBAABCCAP-LJQANCHMSA-N 0 0 329.465 4.138 50 0 EIAARN CC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1ccc(Cl)cc1 ZINC000036628663 202327966 /nfs/dbraw/zinc/32/79/66/202327966.db2.gz MUVBCXUVGRTEHT-UHFFFAOYSA-N 0 0 338.794 4.268 50 0 EIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)Cc1ccc(F)cc1 ZINC000031025856 212720141 /nfs/dbraw/zinc/72/01/41/212720141.db2.gz SKGMXHITOCIKGT-UHFFFAOYSA-N 0 0 337.398 4.118 50 0 EIAARN CC(C)c1noc2ncc(-c3nnc(Cc4ccccc4F)o3)cc21 ZINC000071890754 202353486 /nfs/dbraw/zinc/35/34/86/202353486.db2.gz BEUXLNFOSVLDRE-UHFFFAOYSA-N 0 0 338.342 4.126 50 0 EIAARN CC(C)NC(=O)c1cc2sccc2n1Cc1ccc(F)c(F)c1 ZINC000037526163 202345420 /nfs/dbraw/zinc/34/54/20/202345420.db2.gz IEIDYHFFFNVMLM-UHFFFAOYSA-N 0 0 334.391 4.168 50 0 EIAARN Clc1cccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)c1 ZINC000071889762 202353653 /nfs/dbraw/zinc/35/36/53/202353653.db2.gz OYGAZKFHRRARQK-UHFFFAOYSA-N 0 0 340.810 4.487 50 0 EIAARN CC(C)c1nc([C@H]2CCCN(C(=O)c3sccc3C3CC3)C2)no1 ZINC000072232388 202366183 /nfs/dbraw/zinc/36/61/83/202366183.db2.gz YVNBFKYVBJXIMK-ZDUSSCGKSA-N 0 0 345.468 4.152 50 0 EIAARN Cc1cc(C)n(CCCNC(=O)c2cc(-c3cccs3)cs2)n1 ZINC000072243203 202358043 /nfs/dbraw/zinc/35/80/43/202358043.db2.gz KBETYGAGRSBEPY-UHFFFAOYSA-N 0 0 345.493 4.110 50 0 EIAARN CCc1nc([C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)no1 ZINC000072279282 202361780 /nfs/dbraw/zinc/36/17/80/202361780.db2.gz MRBPQSILOBTDTP-SNVBAGLBSA-N 0 0 346.740 4.041 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCCC[C@@H]1c1nccs1 ZINC000072295643 202362673 /nfs/dbraw/zinc/36/26/73/202362673.db2.gz JPGNXSCXHLUVHX-UMVBOHGHSA-N 0 0 348.418 4.279 50 0 EIAARN O=C(c1cc(-c2ccccc2)on1)N(CCc1cccs1)C1CC1 ZINC000075154800 202376093 /nfs/dbraw/zinc/37/60/93/202376093.db2.gz RELBTGWQTPUMGX-UHFFFAOYSA-N 0 0 338.432 4.250 50 0 EIAARN O=C(CCCc1ccccc1)Nc1cnc(Oc2ccccc2)nc1 ZINC000075172108 202378359 /nfs/dbraw/zinc/37/83/59/202378359.db2.gz ZIKYPPIQQJLOEU-UHFFFAOYSA-N 0 0 333.391 4.230 50 0 EIAARN CCc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2)nc1 ZINC000075172173 202378563 /nfs/dbraw/zinc/37/85/63/202378563.db2.gz HUZIKUGYSULICM-UHFFFAOYSA-N 0 0 334.379 4.475 50 0 EIAARN Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+]CCc1ccccc1Cl ZINC000075352941 202381572 /nfs/dbraw/zinc/38/15/72/202381572.db2.gz 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Cc1noc(C)c1[C@H](C)NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000079306156 202431802 /nfs/dbraw/zinc/43/18/02/202431802.db2.gz HFNSMHAIRVAIRU-JTQLQIEISA-N 0 0 342.424 4.298 50 0 EIAARN C[S@@](=O)Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000079361071 202434656 /nfs/dbraw/zinc/43/46/56/202434656.db2.gz FQXFYMIMRNAKOP-NRFANRHFSA-N 0 0 342.247 4.124 50 0 EIAARN O=C(Nc1nncs1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000040554460 202454052 /nfs/dbraw/zinc/45/40/52/202454052.db2.gz HGBDUSQAIKRSFR-NSHDSACASA-N 0 0 343.239 4.214 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040526678 202448716 /nfs/dbraw/zinc/44/87/16/202448716.db2.gz MZKDMMWDAAOYDV-CYBMUJFWSA-N 0 0 341.377 4.093 50 0 EIAARN COC(=O)NCc1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000041146090 202475662 /nfs/dbraw/zinc/47/56/62/202475662.db2.gz KGSYDZBLHGTOJJ-UHFFFAOYSA-N 0 0 345.402 4.094 50 0 EIAARN FC(F)(F)c1cnc(SCc2cn3cccnc3n2)c(Cl)c1 ZINC000029034745 212648793 /nfs/dbraw/zinc/64/87/93/212648793.db2.gz PAUFURAOZDOFOC-UHFFFAOYSA-N 0 0 344.749 4.089 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COc1ccc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1O ZINC000096891635 201377689 /nfs/dbraw/zinc/37/76/89/201377689.db2.gz MEAMTXWSSVSQHB-MDWZMJQESA-N 0 0 342.782 4.095 50 0 EIAARN CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@H]1CCc2ccccc21 ZINC000027823822 201388257 /nfs/dbraw/zinc/38/82/57/201388257.db2.gz SBGQMHJUORCFEY-KVDXNUTJSA-N 0 0 343.430 4.031 50 0 EIAARN O=C(c1ccc(C2OCCO2)s1)c1cc(Cl)cc(Cl)c1 ZINC000043210442 202509014 /nfs/dbraw/zinc/50/90/14/202509014.db2.gz PNPPGBBDDVWZOA-UHFFFAOYSA-N 0 0 329.204 4.331 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)N[C@@H]2CCSc3ccccc32)on1 ZINC000043167640 202509130 /nfs/dbraw/zinc/50/91/30/202509130.db2.gz YGXOYZALZBINNP-HUUCEWRRSA-N 0 0 343.452 4.067 50 0 EIAARN CC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC000044471331 202522449 /nfs/dbraw/zinc/52/24/49/202522449.db2.gz GBKKRGUJFMBQGC-GFCCVEGCSA-N 0 0 346.427 4.045 50 0 EIAARN C[C@@H](Nc1cccc(N2CCCC2)c1)c1ccc([S@@](C)=O)cc1 ZINC000097045853 541316689 /nfs/dbraw/zinc/31/66/89/541316689.db2.gz 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ZINC000072410089 203217449 /nfs/dbraw/zinc/21/74/49/203217449.db2.gz CVEBQFYKLPAOLJ-UHFFFAOYSA-N 0 0 347.414 4.243 50 0 EIAARN O=C(c1ccsc1)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072410666 203217717 /nfs/dbraw/zinc/21/77/17/203217717.db2.gz GAVZTDPUSZLAOI-HNNXBMFYSA-N 0 0 329.400 4.131 50 0 EIAARN Cc1cc(C(=O)N2CCCC[C@H]2c2cccnc2)c2ccc(F)cc2n1 ZINC000072419407 203218388 /nfs/dbraw/zinc/21/83/88/203218388.db2.gz CFIURXNMUUYXHS-FQEVSTJZSA-N 0 0 349.409 4.445 50 0 EIAARN Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3Cl)c2)nn1 ZINC000072437121 203224453 /nfs/dbraw/zinc/22/44/53/203224453.db2.gz UVIXYIDFXBMKBW-UHFFFAOYSA-N 0 0 339.782 4.483 50 0 EIAARN O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccncc1Cl ZINC000073012024 203254404 /nfs/dbraw/zinc/25/44/04/203254404.db2.gz CDLMTZYBWIGAAO-SFHVURJKSA-N 0 0 340.785 4.394 50 0 EIAARN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1ccncc1Cl ZINC000073094533 203255964 /nfs/dbraw/zinc/25/59/64/203255964.db2.gz VLSULNSMIVXQHR-CYBMUJFWSA-N 0 0 341.625 4.459 50 0 EIAARN COc1cc(C)c(NC(=O)Nc2cc(F)c(F)cc2F)cc1OC ZINC000075138355 203305521 /nfs/dbraw/zinc/30/55/21/203305521.db2.gz NYPFEPSHJNHDKJ-UHFFFAOYSA-N 0 0 340.301 4.074 50 0 EIAARN Cc1nn([C@@H](C)CC(=O)Oc2ccc(Cl)cc2)c(C)c1Cl ZINC000075146145 203308553 /nfs/dbraw/zinc/30/85/53/203308553.db2.gz UEKVTCWBSNSRCQ-VIFPVBQESA-N 0 0 327.211 4.363 50 0 EIAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1ccco1 ZINC000075351557 203313011 /nfs/dbraw/zinc/31/30/11/203313011.db2.gz ZBMZCYKEFFXHGX-UHFFFAOYSA-N 0 0 329.381 4.219 50 0 EIAARN Cc1sc(-c2ccno2)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000075436418 203314532 /nfs/dbraw/zinc/31/45/32/203314532.db2.gz HBCCGJYFDWCFLQ-UHFFFAOYSA-N 0 0 348.449 4.129 50 0 EIAARN Cc1ccc(-c2ncc(C(=O)N[C@H](C)c3ccccc3)c(C)n2)cc1 ZINC000075437161 203314733 /nfs/dbraw/zinc/31/47/33/203314733.db2.gz ZSUYAGDIFSSPTI-OAHLLOKOSA-N 0 0 331.419 4.251 50 0 EIAARN Cc1sc(NC(=O)[C@H]2CC23CCOCC3)nc1-c1ccc(F)cc1 ZINC000075093397 203299885 /nfs/dbraw/zinc/29/98/85/203299885.db2.gz DTAYXJLOGCXYNI-CQSZACIVSA-N 0 0 346.427 4.013 50 0 EIAARN CCOc1ccc(NC(=O)N2CC(Cc3ccccc3Cl)C2)cc1 ZINC000075104719 203301223 /nfs/dbraw/zinc/30/12/23/203301223.db2.gz IKOPRCAGDQBAQM-UHFFFAOYSA-N 0 0 344.842 4.445 50 0 EIAARN CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H](C)c1cc2ccccc2o1 ZINC000075122481 203303867 /nfs/dbraw/zinc/30/38/67/203303867.db2.gz ZOHCCSFKNWSPHQ-AWEZNQCLSA-N 0 0 338.407 4.043 50 0 EIAARN CC[C@@H](C)NC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000075436634 203315477 /nfs/dbraw/zinc/31/54/77/203315477.db2.gz OPBQVLCZWZZZFE-LLVKDONJSA-N 0 0 327.359 4.239 50 0 EIAARN CCCN(C)C(=O)c1cc(-c2ccncc2)cn1Cc1ccccc1C ZINC000075508898 203315927 /nfs/dbraw/zinc/31/59/27/203315927.db2.gz QYEMXZOFKWNBTE-UHFFFAOYSA-N 0 0 347.462 4.389 50 0 EIAARN C[C@H](NC(=O)CCc1conc1-c1ccccc1)c1ccc(F)cc1 ZINC000075510136 203315936 /nfs/dbraw/zinc/31/59/36/203315936.db2.gz NFRYLGQYFXKBBK-AWEZNQCLSA-N 0 0 338.382 4.291 50 0 EIAARN CCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccccc1C ZINC000075509078 203316150 /nfs/dbraw/zinc/31/61/50/203316150.db2.gz LZHZKBPCIBPEJD-UHFFFAOYSA-N 0 0 333.435 4.199 50 0 EIAARN Cc1[nH]nc(NC(=O)c2cc(F)ccc2F)c1-c1cccc(C)c1 ZINC000075544448 203317224 /nfs/dbraw/zinc/31/72/24/203317224.db2.gz SSUNHNZEGLZJLX-UHFFFAOYSA-N 0 0 327.334 4.224 50 0 EIAARN COc1ccccc1CCC(=O)Nc1n[nH]c(C)c1-c1cccc(C)c1 ZINC000075544450 203317499 /nfs/dbraw/zinc/31/74/99/203317499.db2.gz DMSJZQKRQYRMJZ-UHFFFAOYSA-N 0 0 349.434 4.273 50 0 EIAARN CCn1c(-c2cc(NC(=O)c3cccs3)n[nH]2)cc2ccccc21 ZINC000075558594 203317857 /nfs/dbraw/zinc/31/78/57/203317857.db2.gz RCDKPQKZEBWERO-UHFFFAOYSA-N 0 0 336.420 4.365 50 0 EIAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000075555954 203318599 /nfs/dbraw/zinc/31/85/99/203318599.db2.gz XWIATFINYPKAGL-KRWDZBQOSA-N 0 0 347.418 4.222 50 0 EIAARN CC[C@@H](C)CN(C)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000076018669 203331810 /nfs/dbraw/zinc/33/18/10/203331810.db2.gz NGVCIEGURGOGJY-CQSZACIVSA-N 0 0 334.460 4.063 50 0 EIAARN CC[C@H](NC(=O)Nc1cccc(-c2ncc(C)o2)c1)c1ccncc1 ZINC000076070401 203335015 /nfs/dbraw/zinc/33/50/15/203335015.db2.gz DUWLWKVDKHAPQI-KRWDZBQOSA-N 0 0 336.395 4.318 50 0 EIAARN C[C@@H](Nc1cccc(N2CCOC2=O)c1)c1ncc(-c2ccccc2)o1 ZINC000076084279 203336768 /nfs/dbraw/zinc/33/67/68/203336768.db2.gz XTQIWINDMXBIGZ-CQSZACIVSA-N 0 0 349.390 4.471 50 0 EIAARN CC(C)c1nnc(CCC(=O)Nc2ccc3c4c(cccc42)CC3)o1 ZINC000076093803 203337326 /nfs/dbraw/zinc/33/73/26/203337326.db2.gz TWYGWSPUYYUFLJ-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN CC(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000077303494 203380071 /nfs/dbraw/zinc/38/00/71/203380071.db2.gz OSPMMQPZNAMHES-LJQANCHMSA-N 0 0 325.383 4.396 50 0 EIAARN CCc1ccccc1NC(=O)c1ccc(Oc2ccc(C)nn2)cc1 ZINC000077137452 203371551 /nfs/dbraw/zinc/37/15/51/203371551.db2.gz FNFBQVZGVKKJLD-UHFFFAOYSA-N 0 0 333.391 4.392 50 0 EIAARN Cc1ccccc1SC1CCN(C(=O)c2cnccc2C)CC1 ZINC000077385611 203385006 /nfs/dbraw/zinc/38/50/06/203385006.db2.gz IELRGDGBPFGIQY-UHFFFAOYSA-N 0 0 326.465 4.095 50 0 EIAARN O=C(CSCc1ccccc1Cl)N1CCC[C@@H]1c1ccccn1 ZINC000077377603 203385210 /nfs/dbraw/zinc/38/52/10/203385210.db2.gz GSBVXXBGZYLTEO-QGZVFWFLSA-N 0 0 346.883 4.332 50 0 EIAARN CN(C(=O)c1c[nH]nc1-c1cccs1)[C@@H]1CCCc2ccccc21 ZINC000077377788 203385255 /nfs/dbraw/zinc/38/52/55/203385255.db2.gz DNTOQJMPCQCPDS-MRXNPFEDSA-N 0 0 337.448 4.288 50 0 EIAARN CCc1noc(C)c1C(=O)N1CCC(Sc2ccccc2C)CC1 ZINC000077437842 203388863 /nfs/dbraw/zinc/38/88/63/203388863.db2.gz HRAAQKVQAPCFNF-UHFFFAOYSA-N 0 0 344.480 4.251 50 0 EIAARN O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077472074 203390649 /nfs/dbraw/zinc/39/06/49/203390649.db2.gz QAGNCEBCOAFVIZ-HXUWFJFHSA-N 0 0 349.409 4.379 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)ccc1F ZINC000077486838 203391725 /nfs/dbraw/zinc/39/17/25/203391725.db2.gz BMIAZHHBVJUBFC-HNNXBMFYSA-N 0 0 345.389 4.204 50 0 EIAARN Cc1cc(C(F)(F)F)n(C[C@@H](C)Cn2ccnc2-c2ccco2)n1 ZINC000077505571 203391951 /nfs/dbraw/zinc/39/19/51/203391951.db2.gz ABBBDRDARDJWDC-NSHDSACASA-N 0 0 338.333 4.003 50 0 EIAARN Cc1cccc([C@H]2CCCN(C(=O)c3ccccc3-c3ncc[nH]3)C2)c1 ZINC000077503251 203392254 /nfs/dbraw/zinc/39/22/54/203392254.db2.gz WGZBVHJFGZTREK-SFHVURJKSA-N 0 0 345.446 4.405 50 0 EIAARN CC(C)c1cc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)cs1 ZINC000077506008 203392364 /nfs/dbraw/zinc/39/23/64/203392364.db2.gz DDADRJVWAUJMKJ-UHFFFAOYSA-N 0 0 339.464 4.329 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077519272 203393017 /nfs/dbraw/zinc/39/30/17/203393017.db2.gz NMFDBKRRVZSWGY-SFHVURJKSA-N 0 0 330.403 4.117 50 0 EIAARN Cc1nc(C)c(C(=O)N2CCC(Sc3ccccc3C)CC2)s1 ZINC000077564282 203395241 /nfs/dbraw/zinc/39/52/41/203395241.db2.gz LPOKHPBTJCELIV-UHFFFAOYSA-N 0 0 346.521 4.465 50 0 EIAARN CC(C)n1cc(CCCC(=O)NCc2ccccn2)c2ccccc21 ZINC000079479261 203445095 /nfs/dbraw/zinc/44/50/95/203445095.db2.gz LUNUHFLKGCHUBT-UHFFFAOYSA-N 0 0 335.451 4.256 50 0 EIAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@H](C(F)(F)F)SCC(=O)N2 ZINC000079488251 203445147 /nfs/dbraw/zinc/44/51/47/203445147.db2.gz ZQQLHYPQXQVCID-LLVKDONJSA-N 0 0 349.378 4.422 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000080345248 203459322 /nfs/dbraw/zinc/45/93/22/203459322.db2.gz MWMQZXLBQXQFBQ-ZIAGYGMSSA-N 0 0 343.810 4.162 50 0 EIAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1 ZINC000081313591 203475621 /nfs/dbraw/zinc/47/56/21/203475621.db2.gz IOQSPCXJDCGFJN-UHFFFAOYSA-N 0 0 325.252 4.120 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000089769583 203590475 /nfs/dbraw/zinc/59/04/75/203590475.db2.gz PKBGSCAHWWXHBT-OIISXLGYSA-N 0 0 349.421 4.066 50 0 EIAARN C[C@H](C(=O)Nc1ccccc1OCc1ccccn1)c1cccs1 ZINC000095399269 203730083 /nfs/dbraw/zinc/73/00/83/203730083.db2.gz IZJTWUCSIXIXST-AWEZNQCLSA-N 0 0 338.432 4.464 50 0 EIAARN O=C(Nc1c(-c2ccccc2)ncn1C1CC1)c1ccc(Cl)cn1 ZINC000095398763 203730162 /nfs/dbraw/zinc/73/01/62/203730162.db2.gz COYPDIBDDPEECG-UHFFFAOYSA-N 0 0 338.798 4.186 50 0 EIAARN CC(C)(C)OC(=O)N1CCC(Sc2ncccc2Cl)CC1 ZINC000095450380 203745099 /nfs/dbraw/zinc/74/50/99/203745099.db2.gz OZGVNZDMUSUYKH-UHFFFAOYSA-N 0 0 328.865 4.227 50 0 EIAARN COCCOC(=O)Nc1cccc(NCCc2ccccc2Cl)c1 ZINC000095454348 203745908 /nfs/dbraw/zinc/74/59/08/203745908.db2.gz NILLENBQNXUWDL-UHFFFAOYSA-N 0 0 348.830 4.190 50 0 EIAARN NC(=O)c1ccc(NC(=O)N2CCCC[C@H]3CCCC[C@@H]32)cc1Cl ZINC000095457599 203746185 /nfs/dbraw/zinc/74/61/85/203746185.db2.gz RWJVVTXHHDJMIO-WBMJQRKESA-N 0 0 349.862 4.016 50 0 EIAARN O=C1CS[C@@H](C(F)(F)F)c2c(ncn2-c2ccc(Cl)cc2)N1 ZINC000095474899 203748935 /nfs/dbraw/zinc/74/89/35/203748935.db2.gz ICACAHUTULPWGZ-LLVKDONJSA-N 0 0 347.749 4.464 50 0 EIAARN CCOC(=O)c1cnc2cc(Cl)c(Br)cc2c1Cl ZINC000096028542 203796467 /nfs/dbraw/zinc/79/64/67/203796467.db2.gz WAXSWJMMSJALHU-UHFFFAOYSA-N 0 0 349.011 4.481 50 0 EIAARN CC[C@@H](CC1CCCC1)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000095959710 203776823 /nfs/dbraw/zinc/77/68/23/203776823.db2.gz FWWMRJAAQSOPBC-HNNXBMFYSA-N 0 0 330.428 4.188 50 0 EIAARN CSc1cc(C(=O)NCCc2cscn2)c(Cl)cc1Cl ZINC000095966097 203777570 /nfs/dbraw/zinc/77/75/70/203777570.db2.gz GUPBTLFIIMVJOB-UHFFFAOYSA-N 0 0 347.292 4.144 50 0 EIAARN CCc1nc2c(s1)[C@@H](OC(=O)CC1CCC(OC)CC1)CCC2 ZINC000095976221 203782819 /nfs/dbraw/zinc/78/28/19/203782819.db2.gz ZIJNKJKEJGECJE-PIMMBPRGSA-N 0 0 337.485 4.221 50 0 EIAARN FC(F)(F)c1ccccc1CNc1nccc(-c2ccccn2)n1 ZINC000096151707 203845167 /nfs/dbraw/zinc/84/51/67/203845167.db2.gz VYXWMOJUYOMWMR-UHFFFAOYSA-N 0 0 330.313 4.170 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)Nc1ccc(F)cc1 ZINC000096557068 203894502 /nfs/dbraw/zinc/89/45/02/203894502.db2.gz KWBJCPFFBPUIOV-SEYXRHQNSA-N 0 0 335.382 4.280 50 0 EIAARN Cc1cccc(-c2cccc(NC(=O)N3CCCCC[C@@H]3CO)c2)c1 ZINC000096163265 203849542 /nfs/dbraw/zinc/84/95/42/203849542.db2.gz RMQMPBDYJJQSKU-HXUWFJFHSA-N 0 0 338.451 4.431 50 0 EIAARN O=C(NCc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000096170897 203850041 /nfs/dbraw/zinc/85/00/41/203850041.db2.gz UFHKHEWFDWHKTP-UHFFFAOYSA-N 0 0 328.265 4.046 50 0 EIAARN Cc1cncnc1C1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000097446860 203945099 /nfs/dbraw/zinc/94/50/99/203945099.db2.gz YTCYKXDAUSOTHT-UHFFFAOYSA-N 0 0 336.266 4.471 50 0 EIAARN Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@]2(C)CO)n1 ZINC000097115413 203923646 /nfs/dbraw/zinc/92/36/46/203923646.db2.gz NBJCEYBYNROMBA-IBGZPJMESA-N 0 0 339.464 4.018 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)NCCN3CCc4ccccc43)cc2)o1 ZINC000097775761 203965691 /nfs/dbraw/zinc/96/56/91/203965691.db2.gz SWYIVYBINFRTEV-UHFFFAOYSA-N 0 0 346.430 4.048 50 0 EIAARN COc1ccc(NC=C2Sc3cc(Cl)ccc3NC2=O)cc1 ZINC000100363692 203992741 /nfs/dbraw/zinc/99/27/41/203992741.db2.gz WKBODZAGYCZAKJ-OQLLNIDSSA-N 0 0 332.812 4.346 50 0 EIAARN CC(=O)c1cc(CC(=O)NC[C@H](C)c2ccc(Cl)cc2)cs1 ZINC000097514415 203947812 /nfs/dbraw/zinc/94/78/12/203947812.db2.gz JWCDHEANHSOQCZ-NSHDSACASA-N 0 0 335.856 4.067 50 0 EIAARN Cn1nccc1C(=O)N(CCC1=CCCCC1)Cc1ccc(F)cc1 ZINC000097569010 203950458 /nfs/dbraw/zinc/95/04/58/203950458.db2.gz VIROUINBNUQLEN-UHFFFAOYSA-N 0 0 341.430 4.092 50 0 EIAARN CC(C)Cc1cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)[nH]n1 ZINC000097675470 203957486 /nfs/dbraw/zinc/95/74/86/203957486.db2.gz YZEXUQYXGDTOHM-UHFFFAOYSA-N 0 0 331.847 4.071 50 0 EIAARN CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3ncnn32)cc1 ZINC000101028813 204001219 /nfs/dbraw/zinc/00/12/19/204001219.db2.gz AKVDNAPAHBKDSU-IBGZPJMESA-N 0 0 332.407 4.041 50 0 EIAARN C[C@@H]1C(=O)Nc2ccc(-c3csc(NCc4ccco4)n3)cc21 ZINC000101088990 204001481 /nfs/dbraw/zinc/00/14/81/204001481.db2.gz DOMRIKOOTLUDAE-JTQLQIEISA-N 0 0 325.393 4.071 50 0 EIAARN Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)c1 ZINC000102606886 204042705 /nfs/dbraw/zinc/04/27/05/204042705.db2.gz APDPTEZNIIDUGX-BEVDRBHNSA-N 0 0 347.414 4.489 50 0 EIAARN COc1cc(-c2cc(=O)c3c(C)c(Cl)c(C)cc3o2)ccc1O ZINC000041195130 204025858 /nfs/dbraw/zinc/02/58/58/204025858.db2.gz JWRNNIRYISLCGV-UHFFFAOYSA-N 0 0 330.767 4.444 50 0 EIAARN CCc1ccc(C2=Nc3nnnn3[C@H](c3ccc(SC)cc3)C2)cc1 ZINC000101971588 204028693 /nfs/dbraw/zinc/02/86/93/204028693.db2.gz HRUNDZNHLPHCES-SFHVURJKSA-N 0 0 349.463 4.013 50 0 EIAARN Cc1ccc(C2=Nc3nnnn3[C@@H](c3ccc(C(C)C)cc3)C2)cc1C ZINC000102048135 204031238 /nfs/dbraw/zinc/03/12/38/204031238.db2.gz ISOGQRUKZOPVGJ-HXUWFJFHSA-N 0 0 345.450 4.469 50 0 EIAARN CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000102663451 204045176 /nfs/dbraw/zinc/04/51/76/204045176.db2.gz KFEYCAWZKFNMCH-HNNXBMFYSA-N 0 0 344.415 4.201 50 0 EIAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c(OC)c1 ZINC000102731929 204047636 /nfs/dbraw/zinc/04/76/36/204047636.db2.gz JMUVVGCEEZVUJM-KRWDZBQOSA-N 0 0 340.379 4.214 50 0 EIAARN Fc1ccccc1CNc1ncnc2ccc(Br)cc21 ZINC000041470828 204047730 /nfs/dbraw/zinc/04/77/30/204047730.db2.gz RSSICJUPLMNFFN-UHFFFAOYSA-N 0 0 332.176 4.144 50 0 EIAARN Fc1cccc(Cl)c1[C@@H]1CC(c2cccs2)=Nc2ncnn21 ZINC000102799941 204050195 /nfs/dbraw/zinc/05/01/95/204050195.db2.gz QTPBBQOORWXBEF-LBPRGKRZSA-N 0 0 332.791 4.188 50 0 EIAARN COCCN(Cc1ccsc1)C(=O)C1(c2cccs2)CCCC1 ZINC000042382202 204093430 /nfs/dbraw/zinc/09/34/30/204093430.db2.gz IIGBVJAMMCPZIR-UHFFFAOYSA-N 0 0 349.521 4.297 50 0 EIAARN COc1ccc(NC(=O)NCCCSc2ccccc2)c(OC)c1 ZINC000043330533 204247370 /nfs/dbraw/zinc/24/73/70/204247370.db2.gz NNYDQXAINXOFOV-UHFFFAOYSA-N 0 0 346.452 4.008 50 0 EIAARN COc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1OC(F)F ZINC000048080241 204339369 /nfs/dbraw/zinc/33/93/69/204339369.db2.gz NVEDPSVPXYIFAR-HNNXBMFYSA-N 0 0 347.361 4.274 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1cccc(N2CCCC2)c1 ZINC000047192319 204336156 /nfs/dbraw/zinc/33/61/56/204336156.db2.gz OKSBHOKJKTTZNY-UHFFFAOYSA-N 0 0 332.806 4.261 50 0 EIAARN CCCc1cc(SCC(=O)Nc2cccc(Cl)c2C)ncn1 ZINC000044225086 204298670 /nfs/dbraw/zinc/29/86/70/204298670.db2.gz GLCXIFLDTXDTMF-UHFFFAOYSA-N 0 0 335.860 4.122 50 0 EIAARN O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000048325359 204346646 /nfs/dbraw/zinc/34/66/46/204346646.db2.gz SIBQZZLRIOZVTP-GOSISDBHSA-N 0 0 326.346 4.423 50 0 EIAARN Cc1noc(C)c1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000048344248 204346971 /nfs/dbraw/zinc/34/69/71/204346971.db2.gz XIBKNQWCQVERKE-QGZVFWFLSA-N 0 0 332.419 4.267 50 0 EIAARN CC(C)OCc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 ZINC000048354658 204347331 /nfs/dbraw/zinc/34/73/31/204347331.db2.gz ZKYRBBQIBVDEIJ-UHFFFAOYSA-N 0 0 335.806 4.334 50 0 EIAARN O=C(Nc1nc2c(cc3c4c(cccc24)CC3)s1)c1ccccn1 ZINC000049026003 204362430 /nfs/dbraw/zinc/36/24/30/204362430.db2.gz YYHOAWOYAUIVRS-UHFFFAOYSA-N 0 0 331.400 4.195 50 0 EIAARN O=C(c1ccc(Cl)s1)N1CCC(COCc2ccccc2)CC1 ZINC000049028769 204363492 /nfs/dbraw/zinc/36/34/92/204363492.db2.gz HDKVTCRQHYIPBG-UHFFFAOYSA-N 0 0 349.883 4.471 50 0 EIAARN O=C(CCc1ccccc1)N1CCC(COCc2ccccc2)CC1 ZINC000049028724 204363754 /nfs/dbraw/zinc/36/37/54/204363754.db2.gz WSTCIFKJHOOCRI-UHFFFAOYSA-N 0 0 337.463 4.075 50 0 EIAARN CCCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000049179287 204371927 /nfs/dbraw/zinc/37/19/27/204371927.db2.gz RBSGZSFLXRUMGY-QGZVFWFLSA-N 0 0 332.241 4.455 50 0 EIAARN CC(C)Oc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000049225633 204373244 /nfs/dbraw/zinc/37/32/44/204373244.db2.gz WYQJXSVRAKOJFU-UHFFFAOYSA-N 0 0 345.443 4.116 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)OCc2cc(-c3ccco3)on2)s1 ZINC000019182113 212003527 /nfs/dbraw/zinc/00/35/27/212003527.db2.gz JUJIZKATDCEIMS-UHFFFAOYSA-N 0 0 345.376 4.011 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)Oc1ccc2c(c1)OCO2 ZINC000018185552 211987971 /nfs/dbraw/zinc/98/79/71/211987971.db2.gz DOYBZHAPNBPLEV-UHFFFAOYSA-N 0 0 333.343 4.005 50 0 EIAARN O=C(Cc1csc(-c2ccccn2)n1)Oc1ccc(Cl)cc1 ZINC000017335722 211967174 /nfs/dbraw/zinc/96/71/74/211967174.db2.gz YRXTYVYGHBWMCP-UHFFFAOYSA-N 0 0 330.796 4.007 50 0 EIAARN Cc1cc(C)n(-c2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)n1 ZINC000017068210 211949613 /nfs/dbraw/zinc/94/96/13/211949613.db2.gz QNWGKUKWUUXOGV-UHFFFAOYSA-N 0 0 332.329 4.273 50 0 EIAARN Cc1noc(C2CC2)c1NC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000121892720 204831705 /nfs/dbraw/zinc/83/17/05/204831705.db2.gz JHXCXXNZQKOCLM-UHFFFAOYSA-N 0 0 347.425 4.084 50 0 EIAARN O=C(Cc1noc(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1 ZINC000016579505 211914790 /nfs/dbraw/zinc/91/47/90/211914790.db2.gz HEFFLNBGBGIBEX-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1csc2c1CCCC2 ZINC000016605691 211919160 /nfs/dbraw/zinc/91/91/60/211919160.db2.gz SZQMFEABJOGUKW-UHFFFAOYSA-N 0 0 337.242 4.037 50 0 EIAARN O=C(c1ccc(Oc2ccccc2)cc1)N1CC(=O)Nc2ccccc21 ZINC000015912159 211869001 /nfs/dbraw/zinc/86/90/01/211869001.db2.gz GIBPSJFUVAYLIK-UHFFFAOYSA-N 0 0 344.370 4.078 50 0 EIAARN CCCc1cc2c(cc1OC(C)=O)oc(C)c(-c1ccccn1)c2=O ZINC000000178266 205421062 /nfs/dbraw/zinc/42/10/62/205421062.db2.gz VIILCLFXAFCFCH-UHFFFAOYSA-N 0 0 337.375 4.041 50 0 biogenic EIAARN COc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 ZINC000000367030 205440972 /nfs/dbraw/zinc/44/09/72/205440972.db2.gz FPDQOHCUSLGHSC-UHFFFAOYSA-N 0 0 344.823 4.046 50 0 EIAARN C[C@H](CCc1ccccc1)N1C[C@@H](COc2ccccc2)OC1=S ZINC000000341037 205435968 /nfs/dbraw/zinc/43/59/68/205435968.db2.gz ZKVUNPUUHDIXDI-APWZRJJASA-N 0 0 341.476 4.072 50 0 EIAARN O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000453684 205466294 /nfs/dbraw/zinc/46/62/94/205466294.db2.gz GJTHTRWTEGKEMF-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 EIAARN CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@@H]2C ZINC000000518316 205478194 /nfs/dbraw/zinc/47/81/94/205478194.db2.gz KPUIORAMYKZOGW-OHTAKOAQSA-N 0 0 329.440 4.489 50 0 biogenic EIAARN O=C(c1cc2c(s1)CCCCCC2)N1CC(=O)Nc2ccccc21 ZINC000014851644 211769076 /nfs/dbraw/zinc/76/90/76/211769076.db2.gz UYWSXOOUKPRMIY-UHFFFAOYSA-N 0 0 340.448 4.006 50 0 EIAARN CCCOc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 ZINC000001907229 205602058 /nfs/dbraw/zinc/60/20/58/205602058.db2.gz TWLWKONTQPEZKA-UHFFFAOYSA-N 0 0 339.420 4.246 50 0 EIAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccccc1Cl)CO3 ZINC000002113964 205609194 /nfs/dbraw/zinc/60/91/94/205609194.db2.gz JJHKBLLFSMFFTK-UHFFFAOYSA-N 0 0 341.794 4.420 50 0 biogenic EIAARN O=C(C(=O)N1CCCCCC1)c1c(-c2ccccc2)cc2ccccn21 ZINC000001774889 205599009 /nfs/dbraw/zinc/59/90/09/205599009.db2.gz RBTHGVFCSHNIJP-UHFFFAOYSA-N 0 0 346.430 4.192 50 0 EIAARN O=C(c1ccccc1Cl)N1CCN=C1SCc1cccc(F)c1 ZINC000004119874 205681996 /nfs/dbraw/zinc/68/19/96/205681996.db2.gz ORRMVFRFRGDCQJ-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)CSc3ccccc3)o2)c(C)c1 ZINC000004496659 205710443 /nfs/dbraw/zinc/71/04/43/205710443.db2.gz RXFFSKYBHVDLJB-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccccc1F ZINC000004167232 205689830 /nfs/dbraw/zinc/68/98/30/205689830.db2.gz ZDJDQQJCEWNTJJ-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN CCCSc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 ZINC000004265131 205694087 /nfs/dbraw/zinc/69/40/87/205694087.db2.gz QAVCLESTFGDLSB-ZDUSSCGKSA-N 0 0 346.521 4.025 50 0 EIAARN COC(=O)c1ccsc1NC(=O)c1cc(Cl)sc1Cl ZINC000004281405 205696573 /nfs/dbraw/zinc/69/65/73/205696573.db2.gz JAXCPSQMIRZIEA-UHFFFAOYSA-N 0 0 336.221 4.155 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1C ZINC000005252299 205757151 /nfs/dbraw/zinc/75/71/51/205757151.db2.gz WZTNGOPDDXWJHC-UHFFFAOYSA-N 0 0 348.446 4.245 50 0 EIAARN O=c1c2ccccc2ncn1CCOc1ccccc1-c1ccccc1 ZINC000005262007 205758553 /nfs/dbraw/zinc/75/85/53/205758553.db2.gz FARJEKNNKAZZES-UHFFFAOYSA-N 0 0 342.398 4.143 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1C ZINC000006216421 205799192 /nfs/dbraw/zinc/79/91/92/205799192.db2.gz AFONYGMKRPFGKI-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN CSc1ccccc1-c1nnc(NC(=O)c2ccc(C)cc2C)o1 ZINC000007572768 205835595 /nfs/dbraw/zinc/83/55/95/205835595.db2.gz HHNSGYVDYSLJPS-UHFFFAOYSA-N 0 0 339.420 4.328 50 0 EIAARN O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)cc1 ZINC000007595838 205835643 /nfs/dbraw/zinc/83/56/43/205835643.db2.gz UJGDEPKFMPNIPJ-UHFFFAOYSA-N 0 0 331.202 4.265 50 0 EIAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1F ZINC000007742991 205841491 /nfs/dbraw/zinc/84/14/91/205841491.db2.gz PIQMXLBEZQODDO-UHFFFAOYSA-N 0 0 330.359 4.264 50 0 EIAARN COc1cc(NCc2ccccc2C(F)(F)F)cc(OC)c1OC ZINC000000219911 206209673 /nfs/dbraw/zinc/20/96/73/206209673.db2.gz SHGKPTGSPSFKES-UHFFFAOYSA-N 0 0 341.329 4.343 50 0 EIAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1F ZINC000000079450 206210980 /nfs/dbraw/zinc/21/09/80/206210980.db2.gz IPGPRELFUDYICI-UHFFFAOYSA-N 0 0 337.379 4.454 50 0 EIAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccco1 ZINC000000029998 206211176 /nfs/dbraw/zinc/21/11/76/206211176.db2.gz DYOHSZKFTCKMFZ-UHFFFAOYSA-N 0 0 325.751 4.416 50 0 EIAARN COc1ccc(Br)cc1CNc1cc(C)ccc1OC ZINC000000293381 206225855 /nfs/dbraw/zinc/22/58/55/206225855.db2.gz NQCDVBWGHSASQN-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cncc(Br)c1 ZINC000000620691 206245518 /nfs/dbraw/zinc/24/55/18/206245518.db2.gz TZCOLEHRRSESKR-UHFFFAOYSA-N 0 0 345.118 4.115 50 0 EIAARN FC(F)(F)c1cccc(N2C(=S)N=NC2c2cccs2)c1 ZINC000000615122 206246050 /nfs/dbraw/zinc/24/60/50/206246050.db2.gz CGPYBQJSMCOZNH-UHFFFAOYSA-N 0 0 327.356 4.303 50 0 EIAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000000399527 206237730 /nfs/dbraw/zinc/23/77/30/206237730.db2.gz AQZMEAUHWOEKTM-HNNXBMFYSA-N 0 0 348.402 4.093 50 0 EIAARN COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)O2)cc1 ZINC000000430760 206240839 /nfs/dbraw/zinc/24/08/39/206240839.db2.gz VKNILLMIDSQITM-CPNJWEJPSA-N 0 0 329.355 4.193 50 0 EIAARN O=c1c2c([nH]c3cc(-c4ccc(-c5ccccc5)cc4)nn31)CCC2 ZINC000100656540 206255403 /nfs/dbraw/zinc/25/54/03/206255403.db2.gz LSSCHDTWFDBUMX-UHFFFAOYSA-N 0 0 327.387 4.258 50 0 EIAARN CCCCOc1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 ZINC000100811285 206256356 /nfs/dbraw/zinc/25/63/56/206256356.db2.gz GCHXKYZIHFNQSM-VXPUYCOJSA-N 0 0 340.448 4.160 50 0 EIAARN S=C(Nc1ccc(I)cc1)c1ccccc1 ZINC000000949473 206257884 /nfs/dbraw/zinc/25/78/84/206257884.db2.gz WPUDBYYPLZMASW-UHFFFAOYSA-N 0 0 339.201 4.079 50 0 EIAARN Cc1ccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)cc1 ZINC000100844360 206258487 /nfs/dbraw/zinc/25/84/87/206258487.db2.gz QZOKJKPRECUALR-QZQOTICOSA-N 0 0 332.428 4.443 50 0 EIAARN C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2ccc(F)cc2F)C[C@H]1C ZINC000102947804 206391834 /nfs/dbraw/zinc/39/18/34/206391834.db2.gz RPFFOOSNJXMCPE-BZPMIXESSA-N 0 0 339.382 4.051 50 0 EIAARN O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000104275259 206416121 /nfs/dbraw/zinc/41/61/21/206416121.db2.gz KFWBPLWYFUKRBD-TVFCKZIOSA-N 0 0 341.838 4.356 50 0 EIAARN CCOC(=O)c1c(C)nsc1Nc1ccc(Br)cc1 ZINC000005947983 206508307 /nfs/dbraw/zinc/50/83/07/206508307.db2.gz LGJUKRVBCFBCEI-UHFFFAOYSA-N 0 0 341.230 4.134 50 0 EIAARN O=C(Nc1cccc2cnccc21)c1cccc(Br)c1 ZINC000007655258 206524659 /nfs/dbraw/zinc/52/46/59/206524659.db2.gz ACIIQWFFCCDCSU-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN CC(C)[C@H](NC(=O)Nc1ccc(F)cc1F)c1nc2ccccc2[nH]1 ZINC000012539958 211404008 /nfs/dbraw/zinc/40/40/08/211404008.db2.gz UCIWAXVXOLXFOW-INIZCTEOSA-N 0 0 344.365 4.360 50 0 EIAARN CCOc1cccc2cc(-c3csc(NC(=O)C4CC4)n3)oc21 ZINC000010749986 206744516 /nfs/dbraw/zinc/74/45/16/206744516.db2.gz DXBIYVRIKZWQIL-UHFFFAOYSA-N 0 0 328.393 4.304 50 0 EIAARN Cc1nnc(-c2cccc(NCc3csc(C(C)(C)C)n3)c2)o1 ZINC000095429209 218371940 /nfs/dbraw/zinc/37/19/40/218371940.db2.gz LWBASTYWSJMUAY-UHFFFAOYSA-N 0 0 328.441 4.411 50 0 EIAARN COC(=O)N(C)c1ccc(NCc2cc3cc(OC)ccc3o2)cc1 ZINC000095448647 218392838 /nfs/dbraw/zinc/39/28/38/218392838.db2.gz UXAKVWJHOYOKLD-UHFFFAOYSA-N 0 0 340.379 4.256 50 0 EIAARN CN(C(=O)Nc1ccccc1OCc1ccco1)C1CCSCC1 ZINC000095500691 218415039 /nfs/dbraw/zinc/41/50/39/218415039.db2.gz HHWNXFUZTSFGGK-UHFFFAOYSA-N 0 0 346.452 4.218 50 0 EIAARN CO[C@@H](CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1Cl ZINC000206855509 206902352 /nfs/dbraw/zinc/90/23/52/206902352.db2.gz MOPBRYWKHUABQN-KRWDZBQOSA-N 0 0 332.831 4.466 50 0 EIAARN CO[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccsc1 ZINC000096097403 218590713 /nfs/dbraw/zinc/59/07/13/218590713.db2.gz DUZPWEUQZVZAJV-ZDUSSCGKSA-N 0 0 330.236 4.172 50 0 EIAARN C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)NC1CCCCC1 ZINC000012000789 207060485 /nfs/dbraw/zinc/06/04/85/207060485.db2.gz XKHKGYXPHIPBAB-CQSZACIVSA-N 0 0 341.480 4.073 50 0 EIAARN COc1ccc(-c2nocc2-c2ccc(Br)cc2)c(O)c1 ZINC000012320962 207099841 /nfs/dbraw/zinc/09/98/41/207099841.db2.gz DFVWFHGBJMJXEB-UHFFFAOYSA-N 0 0 346.180 4.485 50 0 EIAARN Cc1ccc(CC(=O)Nc2nnc(-c3cccc(Cl)c3)o2)cc1C ZINC000012515135 207168783 /nfs/dbraw/zinc/16/87/83/207168783.db2.gz RZTIXFFHUZJRBP-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 ZINC000012548742 207170307 /nfs/dbraw/zinc/17/03/07/207170307.db2.gz BMSPRMWMEUKJBV-NYYWCZLTSA-N 0 0 349.308 4.144 50 0 EIAARN C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 ZINC000012539584 207172591 /nfs/dbraw/zinc/17/25/91/207172591.db2.gz YHQVOYIXOVEIHO-AWEZNQCLSA-N 0 0 329.403 4.136 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccc(OC)c2)cc1 ZINC000012780963 207246992 /nfs/dbraw/zinc/24/69/92/207246992.db2.gz KUQBURWMICTRDG-ZTVSIKPCSA-N 0 0 337.419 4.081 50 0 EIAARN O=S(=O)(c1cccs1)N(Cc1ccccc1)c1ccccc1 ZINC000012794612 207250839 /nfs/dbraw/zinc/25/08/39/207250839.db2.gz UVTWKOJSOWVJQC-UHFFFAOYSA-N 0 0 329.446 4.144 50 0 EIAARN CN(C(=O)c1cccc(Br)c1)[C@H]1CCc2ccccc21 ZINC000012996436 207263775 /nfs/dbraw/zinc/26/37/75/207263775.db2.gz FRVRFFAEISCHAO-INIZCTEOSA-N 0 0 330.225 4.209 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2)o1)NCCCOc1ccccc1 ZINC000012889466 207257344 /nfs/dbraw/zinc/25/73/44/207257344.db2.gz LNALWGXPCIFTTH-UHFFFAOYSA-N 0 0 349.430 4.465 50 0 EIAARN COc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1OC ZINC000013021813 207270100 /nfs/dbraw/zinc/27/01/00/207270100.db2.gz RFEWTVJZONMMCH-UHFFFAOYSA-N 0 0 341.407 4.278 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000012942056 207267177 /nfs/dbraw/zinc/26/71/77/207267177.db2.gz DHVLVXYOEKKURT-ZDUSSCGKSA-N 0 0 338.329 4.065 50 0 EIAARN COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000013070421 207284389 /nfs/dbraw/zinc/28/43/89/207284389.db2.gz XPJJEWRJGUARBO-CYBMUJFWSA-N 0 0 332.831 4.405 50 0 EIAARN Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccn2)c1 ZINC000013036284 207277894 /nfs/dbraw/zinc/27/78/94/207277894.db2.gz CLCKHSGCPXWGSY-PZJWPPBQSA-N 0 0 343.386 4.030 50 0 EIAARN Cc1cc2nnc(SCc3cn4ccccc4n3)n2c2ccccc12 ZINC000013127348 207352852 /nfs/dbraw/zinc/35/28/52/207352852.db2.gz QGOIQRQXIWSNJF-UHFFFAOYSA-N 0 0 345.431 4.131 50 0 EIAARN CC(C)[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000013228404 207366715 /nfs/dbraw/zinc/36/67/15/207366715.db2.gz YGXFVCBCJIVVGV-MRXNPFEDSA-N 0 0 327.815 4.017 50 0 EIAARN CCCn1c2c(cccc2F)s/c1=N\C(=O)/C=C/c1cccs1 ZINC000013283970 207377339 /nfs/dbraw/zinc/37/73/39/207377339.db2.gz XJIFMPOOPVLJDF-UGGIZNLBSA-N 0 0 346.452 4.454 50 0 EIAARN Cc1ccccc1OCCn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000014139163 207623297 /nfs/dbraw/zinc/62/32/97/207623297.db2.gz KTGCWFJUVVXLOZ-UHFFFAOYSA-N 0 0 349.217 4.091 50 0 EIAARN O=C(c1ccc(Br)cc1F)N1CCCc2ccccc21 ZINC000014183041 207633982 /nfs/dbraw/zinc/63/39/82/207633982.db2.gz HGEJGMISHWNHLL-UHFFFAOYSA-N 0 0 334.188 4.181 50 0 EIAARN Cn1c(Cl)cnc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014670807 207781774 /nfs/dbraw/zinc/78/17/74/207781774.db2.gz PWSNBYJWHGVQRI-GFCCVEGCSA-N 0 0 332.860 4.020 50 0 EIAARN Cc1noc(C)c1CSCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000096441247 218823303 /nfs/dbraw/zinc/82/33/03/218823303.db2.gz SMEIMSWNNQRPLP-MLGOLLRUSA-N 0 0 348.468 4.117 50 0 EIAARN COc1c(Cl)cc(NC(=O)N(C)Cc2nccs2)cc1Cl ZINC000096445950 218828011 /nfs/dbraw/zinc/82/80/11/218828011.db2.gz JBOLMRDTAYSANA-UHFFFAOYSA-N 0 0 346.239 4.122 50 0 EIAARN C[S@](=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000096451281 218834405 /nfs/dbraw/zinc/83/44/05/218834405.db2.gz VJJAHOUNJBHHEE-XMMPIXPASA-N 0 0 341.388 4.062 50 0 EIAARN O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CNc1ccc(F)cc1 ZINC000005512972 210479422 /nfs/dbraw/zinc/47/94/22/210479422.db2.gz ZFRJBEJMVYQTNC-DHDCSXOGSA-N 0 0 346.358 4.071 50 0 EIAARN CC(C)c1nnc(CCC(=O)N2CCC[C@H](C)c3ccccc32)o1 ZINC000097374366 219017641 /nfs/dbraw/zinc/01/76/41/219017641.db2.gz SIRXZBRCZNXIDT-AWEZNQCLSA-N 0 0 327.428 4.056 50 0 EIAARN CC(=O)Oc1c(C)cc(-c2cc(C)c(OC(C)=O)c(C)c2)cc1C ZINC000004826003 210289064 /nfs/dbraw/zinc/28/90/64/210289064.db2.gz LMLZWVLDNOFEBU-UHFFFAOYSA-N 0 0 326.392 4.438 50 0 EIAARN COc1cccc2s/c(=N/C(=O)c3cccc4ccccc43)n(C)c21 ZINC000097549918 219034463 /nfs/dbraw/zinc/03/44/63/219034463.db2.gz SBSISKBKHPVBOU-QZQOTICOSA-N 0 0 348.427 4.143 50 0 EIAARN CCN(C(=O)c1csc(-c2ccc(C)cc2C)n1)c1ccncc1 ZINC000117663421 221079941 /nfs/dbraw/zinc/07/99/41/221079941.db2.gz CDZXIYJENHQKNX-UHFFFAOYSA-N 0 0 337.448 4.489 50 0 EIAARN Cc1cc([C@H](C)NCc2nc(Cc3ccccc3)no2)c(C)s1 ZINC000194561742 257951804 /nfs/dbraw/zinc/95/18/04/257951804.db2.gz HAOIQKYFCSVMTH-ZDUSSCGKSA-N 0 0 327.453 4.190 50 0 EIAARN Cc1noc(-c2ccccc2C(=O)Nc2ccc(C)c3ncccc23)n1 ZINC000172731902 257954709 /nfs/dbraw/zinc/95/47/09/257954709.db2.gz IJTYFZUHGVFFAH-UHFFFAOYSA-N 0 0 344.374 4.154 50 0 EIAARN O=C(C[C@@H]1OCCc2ccccc21)N(c1ccccn1)C1CCCC1 ZINC000154726795 257956306 /nfs/dbraw/zinc/95/63/06/257956306.db2.gz YVAGDCMKDUECPM-IBGZPJMESA-N 0 0 336.435 4.061 50 0 EIAARN CCn1ncc(CN(C)C(=O)[C@@H](c2ccccc2)C2CCCC2)c1C ZINC000426621613 257961035 /nfs/dbraw/zinc/96/10/35/257961035.db2.gz 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CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000001150167 135654049 /nfs/dbraw/zinc/65/40/49/135654049.db2.gz DMVSXOXLYSQGPG-SDNWHVSQSA-N 0 0 348.490 4.346 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C ZINC000006698619 135675158 /nfs/dbraw/zinc/67/51/58/135675158.db2.gz MGJKKBUOIIITQR-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN Cc1cccc(C)c1NC(=O)CNc1ccccc1N1CCCCC1 ZINC000007973115 135682072 /nfs/dbraw/zinc/68/20/72/135682072.db2.gz YFZHSYDESYGKSQ-UHFFFAOYSA-N 0 0 337.467 4.344 50 0 EIAARN O=C(Nc1cccc(Cl)c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000008583938 135684069 /nfs/dbraw/zinc/68/40/69/135684069.db2.gz PFBZBHUHOBARQY-OAHLLOKOSA-N 0 0 327.815 4.361 50 0 EIAARN CCOC(=O)C[C@H]1COc2cc(C)ccc2N1Cc1ccc(C)cc1 ZINC000021925864 135725778 /nfs/dbraw/zinc/72/57/78/135725778.db2.gz XASVEZSFVUJKDN-SFHVURJKSA-N 0 0 339.435 4.024 50 0 EIAARN COc1ccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)cc1Cl ZINC000002987656 518145615 /nfs/dbraw/zinc/14/56/15/518145615.db2.gz JGONKTMEWOVUBE-UHFFFAOYSA-N 0 0 348.855 4.092 50 0 EIAARN Cc1ccccc1OCCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000006790598 518190897 /nfs/dbraw/zinc/19/08/97/518190897.db2.gz DYOQFHYJYJAYNY-UHFFFAOYSA-N 0 0 330.384 4.151 50 0 EIAARN O=C(Nc1ccccc1Cl)N1CC[C@]2(C1)OCc1ccccc12 ZINC000185928305 534389567 /nfs/dbraw/zinc/38/95/67/534389567.db2.gz KUGQTAFHVAZSDX-GOSISDBHSA-N 0 0 328.799 4.003 50 0 EIAARN O=C([O-])CCC[N@@H+]1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000132574082 534488489 /nfs/dbraw/zinc/48/84/89/534488489.db2.gz LUQGEJMOFJWQSU-SFHVURJKSA-N 0 0 329.827 4.304 50 0 EIAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1noc2ccccc21 ZINC000008031760 523216053 /nfs/dbraw/zinc/21/60/53/523216053.db2.gz VPSGKGNQOFTHEI-UHFFFAOYSA-N 0 0 348.324 4.048 50 0 EIAARN CCn1c(SCC(=O)c2cccs2)nnc1-c1cccs1 ZINC000003466339 523232508 /nfs/dbraw/zinc/23/25/08/523232508.db2.gz ARYAHAJFKCLQFQ-UHFFFAOYSA-N 0 0 335.479 4.063 50 0 EIAARN Cc1cccc(Cl)c1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000132728573 534732266 /nfs/dbraw/zinc/73/22/66/534732266.db2.gz KASHSFMMHQPVAQ-INIZCTEOSA-N 0 0 348.805 4.393 50 0 EIAARN Cc1ccc(-c2nc3ccccc3c(N3C[C@H](C)O[C@@H](C)C3)n2)cc1 ZINC000000080983 525824545 /nfs/dbraw/zinc/82/45/45/525824545.db2.gz XTJUHZVQYUMZEB-HOTGVXAUSA-N 0 0 333.435 4.219 50 0 EIAARN Cc1ccc2nc(CCCNC(=O)C[C@@H]3CCc4ccccc43)oc2c1 ZINC000091270475 526245657 /nfs/dbraw/zinc/24/56/57/526245657.db2.gz SESUPFGSYOJISJ-KRWDZBQOSA-N 0 0 348.446 4.305 50 0 EIAARN Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCCc1ccccc1 ZINC000257173390 526572966 /nfs/dbraw/zinc/57/29/66/526572966.db2.gz LUDZQELWLMOONJ-UHFFFAOYSA-N 0 0 334.394 4.169 50 0 EIAARN O=C(CSc1nc2ccccc2s1)N1CCCc2ccccc21 ZINC000000051663 527064647 /nfs/dbraw/zinc/06/46/47/527064647.db2.gz HGJJZDZTTSUOKP-UHFFFAOYSA-N 0 0 340.473 4.368 50 0 EIAARN O=C(Cc1ccc(Cl)s1)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000193499313 527225377 /nfs/dbraw/zinc/22/53/77/527225377.db2.gz QFFQWRMLZQDMNT-KDOFPFPSSA-N 0 0 349.883 4.228 50 0 EIAARN O=C(Cc1ccccc1OC(F)F)Nc1ccccc1C(F)(F)F ZINC000118187565 527292851 /nfs/dbraw/zinc/29/28/51/527292851.db2.gz 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/nfs/dbraw/zinc/77/70/45/535777045.db2.gz ZIKVPYWTJDTDFE-UHFFFAOYSA-N 0 0 339.366 4.241 50 0 EIAARN Cc1ccccc1NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F ZINC000003024836 563627163 /nfs/dbraw/zinc/62/71/63/563627163.db2.gz JIDKBNITLJZLJN-UHFFFAOYSA-N 0 0 342.283 4.000 50 0 EIAARN Cc1nc(S[C@@H](C)c2ccc(F)c(Cl)c2)sc1CC(N)=O ZINC000058160026 563938279 /nfs/dbraw/zinc/93/82/79/563938279.db2.gz OQKKZROZLWKQIS-QMMMGPOBSA-N 0 0 344.864 4.125 50 0 EIAARN Cc1nc2ccccc2c2c1C[C@H]([C@](C)(Cl)Br)O2 ZINC000000436229 564036658 /nfs/dbraw/zinc/03/66/58/564036658.db2.gz HIELOUZGQULWCY-OCCSQVGLSA-N 0 0 326.621 4.197 50 0 EIAARN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000007308936 564106660 /nfs/dbraw/zinc/10/66/60/564106660.db2.gz JWXCAQZLNBVHDG-MRVPVSSYSA-N 0 0 336.265 4.094 50 0 EIAARN O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1CC2(C1)CCCCC2 ZINC000096003917 564144503 /nfs/dbraw/zinc/14/45/03/564144503.db2.gz YGIUAPIWZPYFTJ-HOTGVXAUSA-N 0 0 348.284 4.345 50 0 EIAARN Cc1sc(Cl)nc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000096232429 564146115 /nfs/dbraw/zinc/14/61/15/564146115.db2.gz QUULZKQNUDDKRI-UHFFFAOYSA-N 0 0 347.292 4.280 50 0 EIAARN CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)ccc1Cl ZINC000009061952 564168731 /nfs/dbraw/zinc/16/87/31/564168731.db2.gz ODLDYFBBHNZJNB-UHFFFAOYSA-N 0 0 345.892 4.082 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccccc2)cc1Br ZINC000000117997 563232858 /nfs/dbraw/zinc/23/28/58/563232858.db2.gz PPPHNKOGWTUHHO-CSKARUKUSA-N 0 0 332.197 4.110 50 0 EIAARN O=C(Cc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000000103532 563226573 /nfs/dbraw/zinc/22/65/73/563226573.db2.gz WFFDHLJEMLPMID-UHFFFAOYSA-N 0 0 329.705 4.420 50 0 EIAARN O=C1c2ccc(Cl)cc2C(=O)N1c1cc(Cl)ccc1Cl ZINC000000262360 563268488 /nfs/dbraw/zinc/26/84/88/563268488.db2.gz CRIKLGMWDDHAMQ-UHFFFAOYSA-N 0 0 326.566 4.447 50 0 EIAARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1Cl ZINC000000462244 563327200 /nfs/dbraw/zinc/32/72/00/563327200.db2.gz CEQCWERPKZLVML-UHFFFAOYSA-N 0 0 326.179 4.350 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000000452731 563321368 /nfs/dbraw/zinc/32/13/68/563321368.db2.gz STIRDZLYTHMDPI-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN O=C(Nc1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1Cl ZINC000000468865 563330100 /nfs/dbraw/zinc/33/01/00/563330100.db2.gz ZWBIZGKDIOXOJL-UHFFFAOYSA-N 0 0 342.129 4.116 50 0 EIAARN COc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)cc1C ZINC000004810900 563511472 /nfs/dbraw/zinc/51/14/72/563511472.db2.gz FVGBQBJAXHZXIV-UHFFFAOYSA-N 0 0 339.844 4.075 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Oc2ccccc2)cc1 ZINC000000036250 563211995 /nfs/dbraw/zinc/21/19/95/563211995.db2.gz RABKJTLEBBLLFD-UHFFFAOYSA-N 0 0 347.370 4.138 50 0 EIAARN COc1ccc(C(=O)Nc2ccccc2Cl)cc1Br ZINC000000038376 563212292 /nfs/dbraw/zinc/21/22/92/563212292.db2.gz MOFBOQIOWRTOJX-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000042803 563212880 /nfs/dbraw/zinc/21/28/80/563212880.db2.gz LDXWVWBTIBPGSJ-JSGCOSHPSA-N 0 0 341.238 4.175 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000042273 563212886 /nfs/dbraw/zinc/21/28/86/563212886.db2.gz NIDGEIXSXXCUGF-UHFFFAOYSA-N 0 0 338.190 4.422 50 0 EIAARN CCOc1cc(-c2nnc(-c3ccco3)o2)cc(OCC)c1OCC ZINC000000055459 563213742 /nfs/dbraw/zinc/21/37/42/563213742.db2.gz OGYZPWONPFHXSP-UHFFFAOYSA-N 0 0 344.367 4.193 50 0 EIAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc3ccccc3c2)CC1=O ZINC000000060170 563214141 /nfs/dbraw/zinc/21/41/41/563214141.db2.gz LHHHXEJAOGTQEO-SFHVURJKSA-N 0 0 344.414 4.140 50 0 EIAARN COc1ccc(NC(C)=O)c(NC(=S)Nc2ccc(C)cc2C)c1 ZINC000000066979 563214381 /nfs/dbraw/zinc/21/43/81/563214381.db2.gz VGKQPJWBLWSUBT-UHFFFAOYSA-N 0 0 343.452 4.079 50 0 EIAARN COc1ccc(NC(C)=O)c(NC(=S)Nc2ccccc2Cl)c1 ZINC000000066982 563214443 /nfs/dbraw/zinc/21/44/43/563214443.db2.gz TVXHAHKZWKWCMV-UHFFFAOYSA-N 0 0 349.843 4.116 50 0 EIAARN COC(=O)c1cn(C(=O)c2ccc(Cl)cc2Cl)c2ccccc12 ZINC000000085364 563219975 /nfs/dbraw/zinc/21/99/75/563219975.db2.gz LZILIKWASHYYKM-UHFFFAOYSA-N 0 0 348.185 4.423 50 0 EIAARN CCSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccccc1-2 ZINC000000086234 563220436 /nfs/dbraw/zinc/22/04/36/563220436.db2.gz YUFPTFHRNMWWQN-CQSZACIVSA-N 0 0 342.449 4.215 50 0 EIAARN CCOC(=O)c1cnc2ccccc2c1Nc1cc(C)ccc1OC ZINC000000090639 563222146 /nfs/dbraw/zinc/22/21/46/563222146.db2.gz PVYRDLHEGSWFLA-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN COc1cc(-c2nc(-c3ccc(Cl)cc3)no2)cc(OC)c1OC ZINC000000091478 563222448 /nfs/dbraw/zinc/22/24/48/563222448.db2.gz YAHSJBLCNUAXAE-UHFFFAOYSA-N 0 0 346.770 4.083 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000000096710 563224644 /nfs/dbraw/zinc/22/46/44/563224644.db2.gz BOIRCGBYRPDJFB-UHFFFAOYSA-N 0 0 331.828 4.256 50 0 EIAARN O=C(Nc1ccc(-c2csnn2)cc1)c1ccccc1C(F)(F)F ZINC000000106335 563227906 /nfs/dbraw/zinc/22/79/06/563227906.db2.gz ZNOAXAXHQVRXQB-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN CC(C)NC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000000106703 563227915 /nfs/dbraw/zinc/22/79/15/563227915.db2.gz FMXUBGIGKNNOFH-MRXNPFEDSA-N 0 0 334.872 4.467 50 0 EIAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1 ZINC000000116841 563232146 /nfs/dbraw/zinc/23/21/46/563232146.db2.gz IBDIRAVTSVMOIE-UHFFFAOYSA-N 0 0 328.371 4.067 50 0 EIAARN COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCC2 ZINC000000118511 563233330 /nfs/dbraw/zinc/23/33/30/563233330.db2.gz UESRWWJENVRBLU-UHFFFAOYSA-N 0 0 341.388 4.022 50 0 EIAARN CCOC(=O)c1cc(C(C)(C)C)nn1Cc1c(C)cc(C)cc1C ZINC000000128345 563237600 /nfs/dbraw/zinc/23/76/00/563237600.db2.gz FAOFWPUQYMFDIC-UHFFFAOYSA-N 0 0 328.456 4.331 50 0 EIAARN COc1cc(NC(=O)c2cc3ccccc3o2)c(OC)cc1Cl ZINC000000133064 563239145 /nfs/dbraw/zinc/23/91/45/563239145.db2.gz RITDXXBMPCGLFR-UHFFFAOYSA-N 0 0 331.755 4.356 50 0 EIAARN CC[C@H](C)NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000000136859 563240780 /nfs/dbraw/zinc/24/07/80/563240780.db2.gz BKLBVBJIIRVHCU-INIZCTEOSA-N 0 0 325.452 4.306 50 0 EIAARN O=C1c2ccccc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 ZINC000000138771 563241291 /nfs/dbraw/zinc/24/12/91/563241291.db2.gz GEXKEKIFODXLAZ-UHFFFAOYSA-N 0 0 340.338 4.295 50 0 EIAARN Cc1nc(C)c(-c2ccn(C(=O)Nc3ccc(Cl)cc3)n2)s1 ZINC000000141263 563242213 /nfs/dbraw/zinc/24/22/13/563242213.db2.gz DDZPTERMVKWWOS-UHFFFAOYSA-N 0 0 332.816 4.357 50 0 EIAARN CC(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1C ZINC000000149124 563245375 /nfs/dbraw/zinc/24/53/75/563245375.db2.gz WECYMEUVNDVNGI-UHFFFAOYSA-N 0 0 329.208 4.213 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000000164771 563249209 /nfs/dbraw/zinc/24/92/09/563249209.db2.gz ULAGTMKVFZYXLO-QHHAFSJGSA-N 0 0 336.174 4.374 50 0 EIAARN O=C(Sc1ccccc1)c1csc(-c2ccc3nonc3c2)n1 ZINC000000169258 563250251 /nfs/dbraw/zinc/25/02/51/563250251.db2.gz ROHUHYIJXZJBBB-UHFFFAOYSA-N 0 0 339.401 4.279 50 0 EIAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000000180377 563254130 /nfs/dbraw/zinc/25/41/30/563254130.db2.gz ALPCFZCANMOMSG-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000000183832 563255237 /nfs/dbraw/zinc/25/52/37/563255237.db2.gz WIKSQYNNNOJMOL-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN COc1ccc(CCNc2nc(-c3ccccc3)cs2)cc1OC ZINC000000190247 563256219 /nfs/dbraw/zinc/25/62/19/563256219.db2.gz AXNKEDUDKUAHFV-UHFFFAOYSA-N 0 0 340.448 4.482 50 0 EIAARN CC1(C)C[C@@H](C(=O)NCC[C@H](c2ccco2)c2ccccc2)CCO1 ZINC000000215879 563261907 /nfs/dbraw/zinc/26/19/07/563261907.db2.gz ARBAYEJQTAMILF-ROUUACIJSA-N 0 0 341.451 4.123 50 0 biogenic EIAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000000217182 563261926 /nfs/dbraw/zinc/26/19/26/563261926.db2.gz IJNHTASYCHKLAZ-CQSZACIVSA-N 0 0 334.419 4.439 50 0 EIAARN CCOc1ccccc1NC(=O)c1c(N)sc2c1CCCCC2 ZINC000000233409 563263744 /nfs/dbraw/zinc/26/37/44/563263744.db2.gz ZQGSEYYFJVLQJI-UHFFFAOYSA-N 0 0 330.453 4.250 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000000235384 563263833 /nfs/dbraw/zinc/26/38/33/563263833.db2.gz JOEPOMMHWHAODI-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN Cc1cc(C)c(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 ZINC000000244241 563265789 /nfs/dbraw/zinc/26/57/89/563265789.db2.gz LPBBTFAYJQRPQA-UHFFFAOYSA-N 0 0 335.447 4.469 50 0 EIAARN O=C(NCc1cccnc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000253830 563267240 /nfs/dbraw/zinc/26/72/40/563267240.db2.gz NFJUTOULMNMASO-IBGZPJMESA-N 0 0 334.444 4.231 50 0 EIAARN O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1cccs1 ZINC000000273091 563270261 /nfs/dbraw/zinc/27/02/61/563270261.db2.gz RAAXADPLMZBAEC-GFCCVEGCSA-N 0 0 349.670 4.286 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000000277264 563271103 /nfs/dbraw/zinc/27/11/03/563271103.db2.gz YIHCAFSMEGLULR-CMDGGOBGSA-N 0 0 331.331 4.135 50 0 EIAARN CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000000288810 563273435 /nfs/dbraw/zinc/27/34/35/563273435.db2.gz XTGHECOZHKZAMJ-UHFFFAOYSA-N 0 0 343.404 4.053 50 0 EIAARN COc1cccc(C=O)c1OC(=O)c1ccc(Cl)cc1Cl ZINC000000310033 563280294 /nfs/dbraw/zinc/28/02/94/563280294.db2.gz PWGDLWSESRKXHI-UHFFFAOYSA-N 0 0 325.147 4.034 50 0 EIAARN COC(=O)c1cn(C(=O)c2ccc(C)c(Cl)c2)c2ccccc12 ZINC000000317539 563283425 /nfs/dbraw/zinc/28/34/25/563283425.db2.gz DLJBATOVAGLTKQ-UHFFFAOYSA-N 0 0 327.767 4.078 50 0 EIAARN COc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 ZINC000000318520 563283718 /nfs/dbraw/zinc/28/37/18/563283718.db2.gz WCGADEHBKWFWCA-UHFFFAOYSA-N 0 0 330.434 4.036 50 0 EIAARN C[C@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000000319314 563284068 /nfs/dbraw/zinc/28/40/68/563284068.db2.gz ABTVTSYAKHYCEF-MRXNPFEDSA-N 0 0 342.870 4.182 50 0 EIAARN CCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000000341933 563286591 /nfs/dbraw/zinc/28/65/91/563286591.db2.gz LMMGKMLVOKAXSW-UHFFFAOYSA-N 0 0 339.420 4.026 50 0 EIAARN CN(c1ccccc1)c1cc(Br)nc(Br)c1 ZINC000000343565 563287370 /nfs/dbraw/zinc/28/73/70/563287370.db2.gz VSZCMVVPWORZBT-UHFFFAOYSA-N 0 0 342.034 4.375 50 0 EIAARN CN(C)C(=O)c1ccccc1Sc1ccccc1Br ZINC000000346495 563287745 /nfs/dbraw/zinc/28/77/45/563287745.db2.gz KOSLDOMMQKZRSW-UHFFFAOYSA-N 0 0 336.254 4.302 50 0 EIAARN CSc1nnc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000000364122 563294961 /nfs/dbraw/zinc/29/49/61/563294961.db2.gz BXTGXDLLDKPDDL-LLVKDONJSA-N 0 0 335.498 4.201 50 0 EIAARN Cc1ccccc1C(=O)Nc1cc(C(=O)NCC(C)C)ccc1Cl ZINC000000365549 563296167 /nfs/dbraw/zinc/29/61/67/563296167.db2.gz KFYWQAYGTXMVTM-UHFFFAOYSA-N 0 0 344.842 4.287 50 0 EIAARN COc1c2occc2c(OC)c(-c2cc(-c3ccccc3)n[nH]2)c1O ZINC000000378270 563299374 /nfs/dbraw/zinc/29/93/74/563299374.db2.gz XGFSTQXUQPBDCE-UHFFFAOYSA-N 0 0 336.347 4.213 50 0 EIAARN O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000000378745 563299437 /nfs/dbraw/zinc/29/94/37/563299437.db2.gz ZNWAMBGKLIPNFQ-LBPRGKRZSA-N 0 0 328.418 4.394 50 0 EIAARN C[C@@H](Oc1ccc(F)cc1)c1nn2c(nnc2-c2ccccc2)s1 ZINC000000385335 563301931 /nfs/dbraw/zinc/30/19/31/563301931.db2.gz RICFPBBQPZDAAI-LLVKDONJSA-N 0 0 340.383 4.132 50 0 EIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccnc1 ZINC000000387726 563303530 /nfs/dbraw/zinc/30/35/30/563303530.db2.gz GKDNFYAZAYBRNF-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Sc2ccc(OC)cc2)cc1 ZINC000000400247 563305915 /nfs/dbraw/zinc/30/59/15/563305915.db2.gz IZISQWSTZNSJBP-UHFFFAOYSA-N 0 0 331.393 4.196 50 0 EIAARN C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000000423618 563309345 /nfs/dbraw/zinc/30/93/45/563309345.db2.gz HXJAQGXFQZEBPW-LLVKDONJSA-N 0 0 349.228 4.119 50 0 EIAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 ZINC000000427686 563310730 /nfs/dbraw/zinc/31/07/30/563310730.db2.gz CTDJJVSXAQPXCB-NSHDSACASA-N 0 0 331.799 4.066 50 0 EIAARN FC(F)(F)c1cc(-c2ccco2)nc(-n2cnc3ccccc32)n1 ZINC000000426684 563310771 /nfs/dbraw/zinc/31/07/71/563310771.db2.gz LFVMHNASFKDHSM-UHFFFAOYSA-N 0 0 330.269 4.094 50 0 EIAARN COc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000432249 563311321 /nfs/dbraw/zinc/31/13/21/563311321.db2.gz FGRMHATUCKBIJV-NRFANRHFSA-N 0 0 344.414 4.175 50 0 EIAARN CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 ZINC000000432797 563311437 /nfs/dbraw/zinc/31/14/37/563311437.db2.gz LFWGALLZPULPJR-UHFFFAOYSA-N 0 0 342.489 4.107 50 0 EIAARN CCOC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 ZINC000000433874 563312136 /nfs/dbraw/zinc/31/21/36/563312136.db2.gz MRGBSQKPEHIUEV-SNVBAGLBSA-N 0 0 325.430 4.007 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 ZINC000000443194 563315110 /nfs/dbraw/zinc/31/51/10/563315110.db2.gz RJDFCMORLZFHBB-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN COc1ccc(OC)c([C@@H](C)NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000000451390 563320335 /nfs/dbraw/zinc/32/03/35/563320335.db2.gz JJNQPZGCWQVOCK-LSDHHAIUSA-N 0 0 327.424 4.075 50 0 EIAARN COc1c(C(=O)Nc2ccc(NC(C)=O)cc2)ccc2ccccc21 ZINC000000454135 563322657 /nfs/dbraw/zinc/32/26/57/563322657.db2.gz UWUHMCNKLFDJLU-UHFFFAOYSA-N 0 0 334.375 4.059 50 0 EIAARN O=C(C[C@H](c1ccccc1)c1ccccc1O)NCc1ccccc1 ZINC000000454783 563323281 /nfs/dbraw/zinc/32/32/81/563323281.db2.gz LECPPUWLQNRGJR-HXUWFJFHSA-N 0 0 331.415 4.231 50 0 EIAARN Cc1ccccc1C(=O)NC(=S)Nc1cc(C(C)(C)C)ccc1O ZINC000000456105 563323925 /nfs/dbraw/zinc/32/39/25/563323925.db2.gz RGWACYKLSAEHLM-UHFFFAOYSA-N 0 0 342.464 4.125 50 0 EIAARN O=C1NC(=Cc2ccc(-c3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000000459889 563326054 /nfs/dbraw/zinc/32/60/54/563326054.db2.gz ZESLMANQRHLDBO-HMMYKYKNSA-N 0 0 340.382 4.451 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000000460252 563326112 /nfs/dbraw/zinc/32/61/12/563326112.db2.gz OYABWWLARBANJE-UHFFFAOYSA-N 0 0 344.414 4.177 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1Cl ZINC000000461311 563326548 /nfs/dbraw/zinc/32/65/48/563326548.db2.gz ZOORZLJWEZOBKO-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000000466183 563328416 /nfs/dbraw/zinc/32/84/16/563328416.db2.gz UQTHMWNVVGTRPJ-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN Cc1ccc(F)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c1 ZINC000000468165 563329445 /nfs/dbraw/zinc/32/94/45/563329445.db2.gz MVCQHLWTPWZLRP-UHFFFAOYSA-N 0 0 343.789 4.285 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000000473774 563332863 /nfs/dbraw/zinc/33/28/63/563332863.db2.gz BVFCTUBOCXXKFH-IBGZPJMESA-N 0 0 326.440 4.329 50 0 EIAARN COc1ccc(CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000000483177 563337391 /nfs/dbraw/zinc/33/73/91/563337391.db2.gz SYHAWDLNAQVAEQ-UHFFFAOYSA-N 0 0 338.432 4.390 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1Cl ZINC000000484068 563337989 /nfs/dbraw/zinc/33/79/89/563337989.db2.gz WJVXRLSXMNYXGW-QMMMGPOBSA-N 0 0 345.613 4.448 50 0 EIAARN CCOc1ccc(-n2c(C)c(C(=O)OC)c3cc(OC)ccc32)cc1 ZINC000000498490 563338689 /nfs/dbraw/zinc/33/86/89/563338689.db2.gz RSAWCIWJOQEEEY-UHFFFAOYSA-N 0 0 339.391 4.133 50 0 EIAARN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1Br ZINC000000508834 563339248 /nfs/dbraw/zinc/33/92/48/563339248.db2.gz MJDWYIIOCQNAJQ-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc(Cl)s1 ZINC000000523005 563340717 /nfs/dbraw/zinc/34/07/17/563340717.db2.gz OFSYMZBCAABWIK-UHFFFAOYSA-N 0 0 335.841 4.415 50 0 EIAARN CCOc1cc(S(=O)(=O)Nc2ccccc2CC)ccc1Cl ZINC000000529099 563342082 /nfs/dbraw/zinc/34/20/82/563342082.db2.gz QBQLXOZNXASOJI-UHFFFAOYSA-N 0 0 339.844 4.102 50 0 EIAARN CCOc1cccc(-c2nnc3sc(-c4ccccc4C)nn32)c1 ZINC000000531868 563342749 /nfs/dbraw/zinc/34/27/49/563342749.db2.gz ZIRPHJKLKBPDIF-UHFFFAOYSA-N 0 0 336.420 4.227 50 0 EIAARN COc1ccc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)cc1 ZINC000000531603 563342779 /nfs/dbraw/zinc/34/27/79/563342779.db2.gz YTQPVPOLZNOGKH-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN Cc1ccccc1-c1nnc2sc(-c3cccc(Cl)c3)nn21 ZINC000000533184 563343060 /nfs/dbraw/zinc/34/30/60/563343060.db2.gz XJYHLZZKJIARAU-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN COc1c(C)cc(Br)cc1C(=O)Nc1cccc(F)c1 ZINC000000558548 563346822 /nfs/dbraw/zinc/34/68/22/563346822.db2.gz MFHFLQADSRECHT-UHFFFAOYSA-N 0 0 338.176 4.158 50 0 EIAARN O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1cccc2ccccc21 ZINC000000561748 563347420 /nfs/dbraw/zinc/34/74/20/563347420.db2.gz CEVLVWKLFYVNIV-HNNXBMFYSA-N 0 0 327.387 4.237 50 0 EIAARN Cc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)cc1C ZINC000000581874 563351455 /nfs/dbraw/zinc/35/14/55/563351455.db2.gz ZZDKDTQYVMOEPX-UHFFFAOYSA-N 0 0 341.835 4.062 50 0 EIAARN CCOC(=O)c1ccc(NC(=S)Nc2ccccc2OCC)cc1 ZINC000000610265 563353448 /nfs/dbraw/zinc/35/34/48/563353448.db2.gz MVJKUHXDFIWIIU-UHFFFAOYSA-N 0 0 344.436 4.071 50 0 EIAARN Cc1ccc2oc(=O)n(CCOc3ccc(C(C)(C)C)cc3)c2c1 ZINC000000611083 563354159 /nfs/dbraw/zinc/35/41/59/563354159.db2.gz PRBXHMPMHDDOOU-UHFFFAOYSA-N 0 0 325.408 4.279 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000000612195 563355311 /nfs/dbraw/zinc/35/53/11/563355311.db2.gz QKJUAPWXZICMDY-UHFFFAOYSA-N 0 0 348.786 4.169 50 0 EIAARN CC(=O)Nc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000000612900 563355744 /nfs/dbraw/zinc/35/57/44/563355744.db2.gz ZOAZSWUOGVAQQG-UHFFFAOYSA-N 0 0 325.393 4.218 50 0 EIAARN O[C@H](c1nc2ccccc2n1CCOc1ccccc1)c1ccccc1 ZINC000000613024 563356037 /nfs/dbraw/zinc/35/60/37/563356037.db2.gz YVKUTTUKTCLSGL-NRFANRHFSA-N 0 0 344.414 4.197 50 0 EIAARN Cc1cccc(NC(=O)c2ccccc2OCc2ccccc2F)n1 ZINC000000614094 563357056 /nfs/dbraw/zinc/35/70/56/563357056.db2.gz RUXOEHILFZOJEP-UHFFFAOYSA-N 0 0 336.366 4.360 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000000618508 563360267 /nfs/dbraw/zinc/36/02/67/563360267.db2.gz GHVKDWRBYMUEDO-UHFFFAOYSA-N 0 0 344.842 4.050 50 0 EIAARN COC(=O)c1cc(NC(=O)CCSc2ccccc2)ccc1Cl ZINC000000621383 563362066 /nfs/dbraw/zinc/36/20/66/563362066.db2.gz RSUZPAHVHFHIRQ-UHFFFAOYSA-N 0 0 349.839 4.248 50 0 EIAARN C[C@@H](Oc1ccc(Br)cc1)c1nc(-c2cccnc2)no1 ZINC000000620994 563362092 /nfs/dbraw/zinc/36/20/92/563362092.db2.gz ZGQIOUGNHVIKJJ-SNVBAGLBSA-N 0 0 346.184 4.034 50 0 EIAARN O=Cc1cn(-c2ccc(F)cc2)nc1-c1ccc(Br)cc1 ZINC000000732152 563362707 /nfs/dbraw/zinc/36/27/07/563362707.db2.gz ZRWQEKSANANTKF-UHFFFAOYSA-N 0 0 345.171 4.253 50 0 EIAARN O=C(NC(=S)NC1CCCCCCCCCCC1)c1cccnc1 ZINC000000858949 563364831 /nfs/dbraw/zinc/36/48/31/563364831.db2.gz SNYNBBQCWAIENR-UHFFFAOYSA-N 0 0 347.528 4.359 50 0 EIAARN CCn1cc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)c(C)n1 ZINC000001052305 563370469 /nfs/dbraw/zinc/37/04/69/563370469.db2.gz OYVBJXFYRZIYOE-SECBINFHSA-N 0 0 326.227 4.009 50 0 EIAARN COc1cc(C(=O)Nc2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000001227355 563380348 /nfs/dbraw/zinc/38/03/48/563380348.db2.gz DIEZZBOOXUJQQE-UHFFFAOYSA-N 0 0 329.396 4.088 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(-c3cccc(F)c3)s2)cc1 ZINC000001255507 563381684 /nfs/dbraw/zinc/38/16/84/563381684.db2.gz HZTFZKOIMVDCLG-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21 ZINC000001249792 563381756 /nfs/dbraw/zinc/38/17/56/563381756.db2.gz CJAUFOVBHHUUKK-UHFFFAOYSA-N 0 0 330.391 4.165 50 0 EIAARN COc1ccccc1NC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000001300731 563382690 /nfs/dbraw/zinc/38/26/90/563382690.db2.gz CYAFKCOXKLEBNJ-UHFFFAOYSA-N 0 0 332.429 4.238 50 0 EIAARN CCOc1ccc(N2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000001301958 563383204 /nfs/dbraw/zinc/38/32/04/563383204.db2.gz ORESAERISASWBX-UHFFFAOYSA-N 0 0 331.828 4.275 50 0 EIAARN CCOC(=O)c1nnc(-c2ccccc2)nc1Oc1c(C)cccc1C ZINC000001392090 563386031 /nfs/dbraw/zinc/38/60/31/563386031.db2.gz STUVRFWLHQKNSS-UHFFFAOYSA-N 0 0 349.390 4.124 50 0 EIAARN COC(=O)c1ccc(-c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000001397296 563386715 /nfs/dbraw/zinc/38/67/15/563386715.db2.gz MOLKFLZPXWTQBB-UHFFFAOYSA-N 0 0 325.389 4.272 50 0 EIAARN Cn1c2ccccc2nc1-c1sc(=S)n(-c2ccccc2)c1N ZINC000001477081 563391032 /nfs/dbraw/zinc/39/10/32/563391032.db2.gz DPEBERJKOZUHJO-UHFFFAOYSA-N 0 0 338.461 4.404 50 0 EIAARN O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000001660123 563399977 /nfs/dbraw/zinc/39/99/77/563399977.db2.gz NWHZCAHINMSRQA-RCCQNZRSSA-N 0 0 327.383 4.135 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001752818 563409591 /nfs/dbraw/zinc/40/95/91/563409591.db2.gz CYHPKMCNJFHUMW-UHFFFAOYSA-N 0 0 337.301 4.308 50 0 EIAARN CC[C@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(C)c(C)c2)N1 ZINC000001849706 563414238 /nfs/dbraw/zinc/41/42/38/563414238.db2.gz IESZLNMUODLFMA-SFHVURJKSA-N 0 0 345.899 4.419 50 0 EIAARN CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1 ZINC000002004090 563417947 /nfs/dbraw/zinc/41/79/47/563417947.db2.gz PMHURSZHKKJGBM-UHFFFAOYSA-N 0 0 332.400 4.022 50 0 in-vitro EIAARN CCCC(=O)N[C@@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000002054236 563420145 /nfs/dbraw/zinc/42/01/45/563420145.db2.gz LORZAPZAPFWUCO-CYBMUJFWSA-N 0 0 337.678 4.328 50 0 EIAARN CCn1c2ccccc2nc1SCCOc1ccc(OC)cc1 ZINC000002088929 563422416 /nfs/dbraw/zinc/42/24/16/563422416.db2.gz BCZNMUBVWKUVJQ-UHFFFAOYSA-N 0 0 328.437 4.236 50 0 EIAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1 ZINC000002133056 563423307 /nfs/dbraw/zinc/42/33/07/563423307.db2.gz DQXYEQNGSQRSEX-UHFFFAOYSA-N 0 0 331.224 4.248 50 0 EIAARN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C)c1 ZINC000002336951 563429772 /nfs/dbraw/zinc/42/97/72/563429772.db2.gz LVKGBSPKKFEMEO-UHFFFAOYSA-N 0 0 347.823 4.273 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccs2)on1 ZINC000002465669 563433176 /nfs/dbraw/zinc/43/31/76/563433176.db2.gz DBMYXIJPDXKJJC-UHFFFAOYSA-N 0 0 334.784 4.317 50 0 EIAARN Cc1ccc(C)c(C(=O)c2cccc(CN3CCSCC3)c2)c1 ZINC000002515290 563436457 /nfs/dbraw/zinc/43/64/57/563436457.db2.gz GOJVWAGXQZAJPY-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN O=Cc1ccc(-c2cc(Br)cc(Br)c2)nc1 ZINC000002527584 563439693 /nfs/dbraw/zinc/43/96/93/563439693.db2.gz PDXABOMUYNQIRX-UHFFFAOYSA-N 0 0 341.002 4.086 50 0 EIAARN CCOC(=O)c1sc(Nc2cc(Cl)ccc2OC)nc1C ZINC000002561874 563441574 /nfs/dbraw/zinc/44/15/74/563441574.db2.gz YXWPBPUTYYDMQT-UHFFFAOYSA-N 0 0 326.805 4.034 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)cc1 ZINC000002708154 563446629 /nfs/dbraw/zinc/44/66/29/563446629.db2.gz WSTHONGBVOXMJF-NSHDSACASA-N 0 0 328.437 4.084 50 0 EIAARN O=C(CSC1CCCCC1)Nc1ccccc1Br ZINC000002730275 563447313 /nfs/dbraw/zinc/44/73/13/563447313.db2.gz KEMCGDXFGTUWPU-UHFFFAOYSA-N 0 0 328.275 4.454 50 0 EIAARN Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1 ZINC000002738973 563447710 /nfs/dbraw/zinc/44/77/10/563447710.db2.gz SHBNGDAPAJYZPQ-UHFFFAOYSA-N 0 0 339.222 4.495 50 0 EIAARN O=C(Nc1ccccc1OC(F)F)c1cccc(OC(F)F)c1 ZINC000002743548 563448156 /nfs/dbraw/zinc/44/81/56/563448156.db2.gz BMCWQVPULAXICH-UHFFFAOYSA-N 0 0 329.249 4.142 50 0 EIAARN CCOC(=O)c1c2ccccc2sc1NC(=O)Cc1ccccc1 ZINC000002748993 563448397 /nfs/dbraw/zinc/44/83/97/563448397.db2.gz BKJRULZIDVPILP-UHFFFAOYSA-N 0 0 339.416 4.259 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1ccccc1)CCCCC2 ZINC000002752664 563448846 /nfs/dbraw/zinc/44/88/46/563448846.db2.gz PSEOKJIWIYGVKB-UHFFFAOYSA-N 0 0 329.421 4.056 50 0 EIAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)C(C)(C)C)ccc12 ZINC000002811669 563451548 /nfs/dbraw/zinc/45/15/48/563451548.db2.gz HHAMRZWKAOKDLQ-UHFFFAOYSA-N 0 0 330.424 4.438 50 0 EIAARN c1ccc(COc2ccc(OCCSc3ncccn3)cc2)cc1 ZINC000002845241 563455011 /nfs/dbraw/zinc/45/50/11/563455011.db2.gz OPJKUXJZBPVDHM-UHFFFAOYSA-N 0 0 338.432 4.227 50 0 EIAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)[C@H]1CCCO1 ZINC000002879497 563460418 /nfs/dbraw/zinc/46/04/18/563460418.db2.gz GTVDSOSBNNLNHW-MRXNPFEDSA-N 0 0 342.782 4.266 50 0 EIAARN CCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000010544502 563463615 /nfs/dbraw/zinc/46/36/15/563463615.db2.gz KZVXNALFSIUZLD-QGZVFWFLSA-N 0 0 333.435 4.145 50 0 EIAARN COc1cc(C=O)ccc1OCCOc1ccc(Cl)cc1Cl ZINC000002985199 563466426 /nfs/dbraw/zinc/46/64/26/563466426.db2.gz JOIPYIYLPJOGBU-UHFFFAOYSA-N 0 0 341.190 4.272 50 0 EIAARN COc1ccccc1OCCOCCOc1cccc(C(C)C)c1 ZINC000002985440 563466925 /nfs/dbraw/zinc/46/69/25/563466925.db2.gz YTWFNWVCDAONAE-UHFFFAOYSA-N 0 0 330.424 4.293 50 0 EIAARN O=C(NCCOCc1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000003092273 563471872 /nfs/dbraw/zinc/47/18/72/563471872.db2.gz CYVKOJBPLHBTKH-UHFFFAOYSA-N 0 0 347.414 4.426 50 0 EIAARN O=Cc1cccc(C=O)c1-c1cccc(-c2c(C=O)cccc2C=O)c1 ZINC000003122430 563472817 /nfs/dbraw/zinc/47/28/17/563472817.db2.gz HVCRKSWCOIJOCC-UHFFFAOYSA-N 0 0 342.350 4.271 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000003127058 563473231 /nfs/dbraw/zinc/47/32/31/563473231.db2.gz FCNRGZUFBNIBLM-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN NC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003133320 563474079 /nfs/dbraw/zinc/47/40/79/563474079.db2.gz ZPTXFEWSANANEN-LJQANCHMSA-N 0 0 349.817 4.188 50 0 EIAARN Cc1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)NC2=S)cc1 ZINC000003257491 563478138 /nfs/dbraw/zinc/47/81/38/563478138.db2.gz VIMAWNUZRXXTCS-PDGQHHTCSA-N 0 0 336.460 4.381 50 0 EIAARN Cc1csc(SCC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000003413976 563484640 /nfs/dbraw/zinc/48/46/40/563484640.db2.gz KSZJOYFIEPJDEB-UHFFFAOYSA-N 0 0 333.265 4.489 50 0 EIAARN Cc1ccc(-c2nc(S[C@@H](C)c3nnc(CC(C)C)o3)n[nH]2)cc1 ZINC000071893914 563487920 /nfs/dbraw/zinc/48/79/20/563487920.db2.gz KAKNRWDNDLFRTI-LBPRGKRZSA-N 0 0 343.456 4.215 50 0 EIAARN Cc1cc(O[C@H](C)C(=O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000004028179 563492530 /nfs/dbraw/zinc/49/25/30/563492530.db2.gz DYBNZLJIMZQRMD-CQSZACIVSA-N 0 0 348.398 4.240 50 0 biogenic EIAARN Cc1c(C)n(C2CCCCC2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000004038051 563492625 /nfs/dbraw/zinc/49/26/25/563492625.db2.gz TTWVMMUCFFDVBN-UHFFFAOYSA-N 0 0 332.469 4.025 50 0 EIAARN Cc1cc(O)ccc1C1(c2ccc(O)cc2C)OC(=O)c2ccccc21 ZINC000004127837 563495682 /nfs/dbraw/zinc/49/56/82/563495682.db2.gz DAJCDIIIZOFNEG-UHFFFAOYSA-N 0 0 346.382 4.177 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)Nc2nc(C)cs2)cc1OC ZINC000010554365 563496033 /nfs/dbraw/zinc/49/60/33/563496033.db2.gz NOJFCSLEIPZSTR-UHFFFAOYSA-N 0 0 340.832 4.155 50 0 EIAARN Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccs2)S3)c1 ZINC000004268653 563498675 /nfs/dbraw/zinc/49/86/75/563498675.db2.gz AAWCONOXRYSKCP-ZDUSSCGKSA-N 0 0 327.434 4.192 50 0 EIAARN COc1ccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)cc1OC ZINC000004331027 563500367 /nfs/dbraw/zinc/50/03/67/563500367.db2.gz HZMYKBIHBOJKOH-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN Cc1cc(S(=O)(=O)NCCC2=CCCCC2)c(Cl)cc1Cl ZINC000004387651 563502208 /nfs/dbraw/zinc/50/22/08/563502208.db2.gz CGOMONODMWBMHC-UHFFFAOYSA-N 0 0 348.295 4.471 50 0 EIAARN C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2 ZINC000004488765 563503560 /nfs/dbraw/zinc/50/35/60/563503560.db2.gz HZUOOGXVGUDHJW-PCAWENJQSA-N 0 0 329.421 4.030 50 0 EIAARN Cn1cnnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004526180 563504263 /nfs/dbraw/zinc/50/42/63/563504263.db2.gz YDMXBQKJTOBBRZ-UHFFFAOYSA-N 0 0 347.205 4.041 50 0 EIAARN Fc1cccc([C@H]2CC(C34CC5CC(CC(C5)C3)C4)=NC(=S)N2)c1 ZINC000004670993 563507728 /nfs/dbraw/zinc/50/77/28/563507728.db2.gz YTKAXGVWCAXASR-ANCGMVAHSA-N 0 0 342.483 4.445 50 0 EIAARN CCCC[C@H](CC)C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000004696299 563508055 /nfs/dbraw/zinc/50/80/55/563508055.db2.gz VRYRQYMMLJOJBO-HNNXBMFYSA-N 0 0 331.485 4.478 50 0 EIAARN CC[C@H](C)N1C(=O)S/C(=C/c2cccc(Br)c2)C1=O ZINC000004695932 563508101 /nfs/dbraw/zinc/50/81/01/563508101.db2.gz POQSZIOMVXPHDP-KWINOFQJSA-N 0 0 340.242 4.284 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000004696251 563508141 /nfs/dbraw/zinc/50/81/41/563508141.db2.gz MIEKHPVGUXVDBU-HZPDHXFCSA-N 0 0 336.435 4.057 50 0 EIAARN Cc1[nH]c2ccc(Br)cc2c(=O)c1CC=C(Cl)Cl ZINC000004730359 563509321 /nfs/dbraw/zinc/50/93/21/563509321.db2.gz FOQBKYFEXRUTTD-UHFFFAOYSA-N 0 0 347.039 4.461 50 0 EIAARN Cc1cc(C)c(OCC(=O)Nc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000004746934 563509996 /nfs/dbraw/zinc/50/99/96/563509996.db2.gz JSODDDLJULOTPF-UHFFFAOYSA-N 0 0 332.831 4.040 50 0 EIAARN Cc1ccc2cc(C)c(N3CCN(c4ccc(F)cc4)CC3)nc2c1 ZINC000004755948 563510440 /nfs/dbraw/zinc/51/04/40/563510440.db2.gz BPGIFUVAJFBCRK-UHFFFAOYSA-N 0 0 335.426 4.317 50 0 EIAARN O=C(NCCOc1ccccc1)c1cccc2c3ccccc3oc21 ZINC000004783939 563511338 /nfs/dbraw/zinc/51/13/38/563511338.db2.gz VVBJXJBOUXWSPL-UHFFFAOYSA-N 0 0 331.371 4.395 50 0 EIAARN COc1ccccc1[C@@H]1Nc2scc(-c3ccccc3)c2C(=O)N1 ZINC000004814042 563512061 /nfs/dbraw/zinc/51/20/61/563512061.db2.gz QYIQVVUHXGXINL-KRWDZBQOSA-N 0 0 336.416 4.278 50 0 EIAARN CCC(=O)Oc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000004840920 563512737 /nfs/dbraw/zinc/51/27/37/563512737.db2.gz AYIDVQMNRBZCRE-UHFFFAOYSA-N 0 0 348.196 4.017 50 0 EIAARN CSc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000004843106 563513638 /nfs/dbraw/zinc/51/36/38/563513638.db2.gz JPOVPKVLXDJPTF-CQSZACIVSA-N 0 0 348.265 4.449 50 0 EIAARN Cn1c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O ZINC000004852947 563513893 /nfs/dbraw/zinc/51/38/93/563513893.db2.gz MRARROHJVGVSTJ-VQHVLOKHSA-N 0 0 331.202 4.411 50 0 EIAARN CCN(c1ccccc1)[C@H]1SC(=O)N(c2ccc(C)cc2)C1=O ZINC000004853070 563513911 /nfs/dbraw/zinc/51/39/11/563513911.db2.gz XUMFAJZXWFPPTO-KRWDZBQOSA-N 0 0 326.421 4.047 50 0 EIAARN CCCCOc1ccc2ccccc2c1/C=C1\SC(=N)NC1=O ZINC000004953013 563515853 /nfs/dbraw/zinc/51/58/53/563515853.db2.gz NKDDVQQHTAAXCM-WJDWOHSUSA-N 0 0 326.421 4.157 50 0 EIAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccs1 ZINC000004985809 563517387 /nfs/dbraw/zinc/51/73/87/563517387.db2.gz VHBZUJPDUTTYBR-OAHLLOKOSA-N 0 0 337.444 4.499 50 0 EIAARN c1coc(Cn2c(SCc3ccccc3)nnc2-c2cccnc2)c1 ZINC000004985952 563517464 /nfs/dbraw/zinc/51/74/64/563517464.db2.gz FOHLTGUBVYOBGJ-UHFFFAOYSA-N 0 0 348.431 4.274 50 0 EIAARN COc1cccc2ccc(/C=C/c3ccc(OC(C)=O)c(OC)c3)nc21 ZINC000004998376 563518171 /nfs/dbraw/zinc/51/81/71/563518171.db2.gz UGSSENCXDCDQTO-JXMROGBWSA-N 0 0 349.386 4.348 50 0 EIAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)c(C)n1CC ZINC000005054602 563520094 /nfs/dbraw/zinc/52/00/94/563520094.db2.gz VGXLUKFKTMXYLN-UHFFFAOYSA-N 0 0 348.830 4.207 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000005439912 563532830 /nfs/dbraw/zinc/53/28/30/563532830.db2.gz OEFLEOOFRIPWSP-UHFFFAOYSA-N 0 0 329.787 4.111 50 0 EIAARN O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1 ZINC000005675873 563545053 /nfs/dbraw/zinc/54/50/53/563545053.db2.gz OJWYWNQAIIJMQB-UHFFFAOYSA-N 0 0 331.730 4.491 50 0 EIAARN O=C1OC(c2ccccc2)=NC1=CNc1ccc(Cl)c2cccnc12 ZINC000005731532 563547718 /nfs/dbraw/zinc/54/77/18/563547718.db2.gz VMSJOMIXYDCHMM-WJDWOHSUSA-N 0 0 349.777 4.145 50 0 EIAARN COC(=O)c1ccccc1Sc1nc(SC)nc2sccc21 ZINC000005743000 563548795 /nfs/dbraw/zinc/54/87/95/563548795.db2.gz LJHPEDSNLFQQQG-UHFFFAOYSA-N 0 0 348.474 4.351 50 0 EIAARN O=C(NCCSc1nc2ccccc2o1)Nc1ccc(Cl)cc1 ZINC000005777492 563549709 /nfs/dbraw/zinc/54/97/09/563549709.db2.gz KNFRQLRWAZISLN-UHFFFAOYSA-N 0 0 347.827 4.395 50 0 EIAARN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000005848817 563552129 /nfs/dbraw/zinc/55/21/29/563552129.db2.gz DEWHSBUUMWHCGU-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000010573084 563569146 /nfs/dbraw/zinc/56/91/46/563569146.db2.gz OFGGPPSJVUVTSR-BQBZGAKWSA-N 0 0 343.271 4.229 50 0 EIAARN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000006514554 563570839 /nfs/dbraw/zinc/57/08/39/563570839.db2.gz RKTZKVKYRBHOFG-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN O=c1[nH]c2ccc(NCc3ccc(OCc4ccccc4)cc3)cc2[nH]1 ZINC000006670330 563577537 /nfs/dbraw/zinc/57/75/37/563577537.db2.gz HEOITKPXPIEIHI-UHFFFAOYSA-N 0 0 345.402 4.047 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3C)C[C@@H]2C)cc1 ZINC000006698212 563578876 /nfs/dbraw/zinc/57/88/76/563578876.db2.gz JHSKVGDRAVNDCX-SFHVURJKSA-N 0 0 337.467 4.354 50 0 EIAARN CCc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000006699275 563578966 /nfs/dbraw/zinc/57/89/66/563578966.db2.gz ZBQPWSPJQZXFLQ-UHFFFAOYSA-N 0 0 343.858 4.257 50 0 EIAARN COc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000006702170 563580421 /nfs/dbraw/zinc/58/04/21/563580421.db2.gz IQGQSLPRQVUITH-UHFFFAOYSA-N 0 0 346.386 4.200 50 0 EIAARN Cc1cccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1C ZINC000006715648 563582369 /nfs/dbraw/zinc/58/23/69/563582369.db2.gz VETQZGOIAALEBU-UHFFFAOYSA-N 0 0 346.833 4.058 50 0 EIAARN O=C(CSc1ncccn1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006725461 563582724 /nfs/dbraw/zinc/58/27/24/563582724.db2.gz OCUYXFSJEQYGNN-UHFFFAOYSA-N 0 0 348.642 4.168 50 0 EIAARN CC(=O)Nc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 ZINC000006730529 563583896 /nfs/dbraw/zinc/58/38/96/563583896.db2.gz RJUPYWCGOBMUGC-UHFFFAOYSA-N 0 0 343.383 4.126 50 0 EIAARN CCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000006759496 563585802 /nfs/dbraw/zinc/58/58/02/563585802.db2.gz OAVCUITWXTYBBX-UHFFFAOYSA-N 0 0 346.814 4.340 50 0 EIAARN Cn1nc(-c2ccccc2)c([C@H](O)c2ccc(Cl)cc2)c1Cl ZINC000006925447 563591616 /nfs/dbraw/zinc/59/16/16/563591616.db2.gz YHDAICFSKYFDPB-MRXNPFEDSA-N 0 0 333.218 4.476 50 0 EIAARN Cc1cccc2sc(NC(=O)c3ccc4ncsc4c3)nc21 ZINC000002630676 563597566 /nfs/dbraw/zinc/59/75/66/563597566.db2.gz BLBISNYJCUVFLZ-UHFFFAOYSA-N 0 0 325.418 4.467 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000007402178 563601193 /nfs/dbraw/zinc/60/11/93/563601193.db2.gz VTHMGVQDOOYRAN-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN CC(=O)c1cccc(NC(=O)CSc2cccc3cccnc32)c1 ZINC000002701234 563602896 /nfs/dbraw/zinc/60/28/96/563602896.db2.gz QCLLLGZOIIQXHH-UHFFFAOYSA-N 0 0 336.416 4.168 50 0 EIAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(N(C)C)cc3)nc21 ZINC000002713969 563606741 /nfs/dbraw/zinc/60/67/41/563606741.db2.gz QJGLAZRORRRNIG-UHFFFAOYSA-N 0 0 325.437 4.231 50 0 EIAARN CCOc1ccc(C(=O)Nc2nc3ccccc3s2)cc1OCC ZINC000002729880 563609052 /nfs/dbraw/zinc/60/90/52/563609052.db2.gz WWTWHLPWLZEBDH-UHFFFAOYSA-N 0 0 342.420 4.346 50 0 EIAARN c1ccc(COc2cccc(-c3nc(-c4ccncc4)no3)c2)cc1 ZINC000007668708 563609818 /nfs/dbraw/zinc/60/98/18/563609818.db2.gz YLIHRGFDOXAOTA-UHFFFAOYSA-N 0 0 329.359 4.378 50 0 EIAARN Cc1cccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 ZINC000007720167 563612027 /nfs/dbraw/zinc/61/20/27/563612027.db2.gz GLZQPNVGGSPINF-UHFFFAOYSA-N 0 0 349.434 4.486 50 0 EIAARN O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1ccccc1F ZINC000002786263 563613160 /nfs/dbraw/zinc/61/31/60/563613160.db2.gz FCPZITJBTYHNIM-UHFFFAOYSA-N 0 0 338.310 4.289 50 0 EIAARN COc1ccc(NC(=O)Nc2nnc(-c3ccccc3C)s2)cc1 ZINC000008739665 563638294 /nfs/dbraw/zinc/63/82/94/563638294.db2.gz WSTRJKNJHFIJPP-UHFFFAOYSA-N 0 0 340.408 4.166 50 0 EIAARN O=C(Nc1nnc(Cc2ccccc2F)s1)Nc1ccccc1F ZINC000008743298 563638800 /nfs/dbraw/zinc/63/88/00/563638800.db2.gz IFIAWYFFUTUQLL-UHFFFAOYSA-N 0 0 346.362 4.051 50 0 EIAARN c1nn(-c2ccccc2)cc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000097492897 563640801 /nfs/dbraw/zinc/64/08/01/563640801.db2.gz IPKVFSWPIPWZLK-QFIPXVFZSA-N 0 0 347.462 4.054 50 0 EIAARN Cc1cc(C(=O)Cn2c(C)nc3ccccc32)c(C)n1Cc1ccco1 ZINC000010008799 563645605 /nfs/dbraw/zinc/64/56/05/563645605.db2.gz CHHDIIVUAUHZJM-UHFFFAOYSA-N 0 0 347.418 4.287 50 0 EIAARN CN(CCCC1CCCC1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000012091827 563653387 /nfs/dbraw/zinc/65/33/87/563653387.db2.gz GZWPLYSQFXHULT-UHFFFAOYSA-N 0 0 331.435 4.202 50 0 EIAARN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000012093250 563653405 /nfs/dbraw/zinc/65/34/05/563653405.db2.gz OQQWONCZNROSFY-ZDUSSCGKSA-N 0 0 347.867 4.445 50 0 EIAARN Cc1c([C@@H](C)NCc2ccc(F)cc2F)cnn1-c1cccc(F)c1 ZINC000012199830 563656078 /nfs/dbraw/zinc/65/60/78/563656078.db2.gz FSSBORPFQHRNAB-GFCCVEGCSA-N 0 0 345.368 4.449 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCCOC12CCCCC2 ZINC000012323332 563658138 /nfs/dbraw/zinc/65/81/38/563658138.db2.gz ONHJJXVRUHDOCM-UHFFFAOYSA-N 0 0 331.387 4.403 50 0 EIAARN CC(C)CC(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000012382095 563659446 /nfs/dbraw/zinc/65/94/46/563659446.db2.gz AGKIHUSHGWMYBP-UHFFFAOYSA-N 0 0 348.512 4.238 50 0 EIAARN Cc1c([C@H](C)NC(=O)c2ccsc2)cnn1-c1ccccc1C ZINC000012441267 563660721 /nfs/dbraw/zinc/66/07/21/563660721.db2.gz HQBGWLXYULJONG-ZDUSSCGKSA-N 0 0 325.437 4.042 50 0 EIAARN Cc1c[nH]c(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2C)n1 ZINC000012446160 563661243 /nfs/dbraw/zinc/66/12/43/563661243.db2.gz AJIRRWDLUUCTKI-FQEVSTJZSA-N 0 0 347.462 4.207 50 0 EIAARN O=C(CCC(F)(F)F)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000012472929 563661909 /nfs/dbraw/zinc/66/19/09/563661909.db2.gz MIZLTSFJILEVMR-GFCCVEGCSA-N 0 0 349.343 4.479 50 0 EIAARN C[C@]12COc3ccc4ccccc4c3[C@@H]1c1sc(=O)[nH]c1SC2 ZINC000004337613 563661979 /nfs/dbraw/zinc/66/19/79/563661979.db2.gz MVCHNDAEFUUZBT-RDTXWAMCSA-N 0 0 341.457 4.226 50 0 EIAARN COCc1ccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012580280 563663825 /nfs/dbraw/zinc/66/38/25/563663825.db2.gz XKYKDEIQEXVBEH-HNNXBMFYSA-N 0 0 347.842 4.174 50 0 EIAARN CC(C)CCNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012593619 563664581 /nfs/dbraw/zinc/66/45/81/563664581.db2.gz UDSHPVIQIFRAKS-GOSISDBHSA-N 0 0 339.435 4.100 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3N[C@@H](C)c2ccccc2)cc1 ZINC000004354984 563666425 /nfs/dbraw/zinc/66/64/25/563666425.db2.gz AXFRDGWJMVXSNR-HNNXBMFYSA-N 0 0 329.407 4.297 50 0 EIAARN Cc1nnc(SCc2ccc(F)c(F)c2)n1-c1ccc(C)cc1 ZINC000004356170 563666851 /nfs/dbraw/zinc/66/68/51/563666851.db2.gz LVNVYTTWVLLGBD-UHFFFAOYSA-N 0 0 331.391 4.455 50 0 EIAARN C[C@@H]1CCCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)C1 ZINC000012653595 563667189 /nfs/dbraw/zinc/66/71/89/563667189.db2.gz WHXMWXGPFQEMKH-WADNSWHXSA-N 0 0 347.462 4.171 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c(Cl)c1 ZINC000012749019 563670124 /nfs/dbraw/zinc/67/01/24/563670124.db2.gz YDVIKTGVVSKTQU-AWEZNQCLSA-N 0 0 345.826 4.459 50 0 EIAARN Cc1nc2cc(NC(=O)Cc3nc(-c4ccccc4)oc3C)ccc2[nH]1 ZINC000012793598 563672304 /nfs/dbraw/zinc/67/23/04/563672304.db2.gz XHNZHCYNDCKYHE-UHFFFAOYSA-N 0 0 346.390 4.016 50 0 EIAARN COCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000004386208 563676416 /nfs/dbraw/zinc/67/64/16/563676416.db2.gz HCZQOSBCEHENIY-UHFFFAOYSA-N 0 0 330.815 4.305 50 0 EIAARN CCOc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000012906146 563676800 /nfs/dbraw/zinc/67/68/00/563676800.db2.gz TXMULGFVWLCDFM-CQSZACIVSA-N 0 0 339.391 4.088 50 0 EIAARN CC(C)[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000012974134 563679841 /nfs/dbraw/zinc/67/98/41/563679841.db2.gz WFHCRXIWRFSFNO-GOSISDBHSA-N 0 0 336.439 4.139 50 0 EIAARN CCc1ccccc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000012975503 563680199 /nfs/dbraw/zinc/68/01/99/563680199.db2.gz UCAZCQBVMJXYFW-HXUWFJFHSA-N 0 0 334.419 4.152 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000012986002 563681952 /nfs/dbraw/zinc/68/19/52/563681952.db2.gz KAMRRKVTCXLKFK-UHFFFAOYSA-N 0 0 331.419 4.230 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000012989343 563682307 /nfs/dbraw/zinc/68/23/07/563682307.db2.gz QNHAIUBGNDRMOG-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN O=C(Oc1ccccc1)c1csc(COc2ccc(F)cc2)n1 ZINC000012989829 563682804 /nfs/dbraw/zinc/68/28/04/563682804.db2.gz FEUXUJWUNQKRAC-UHFFFAOYSA-N 0 0 329.352 4.080 50 0 EIAARN Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c(Cl)c1 ZINC000012996708 563683343 /nfs/dbraw/zinc/68/33/43/563683343.db2.gz CWHBBTIAXAAXGL-UHFFFAOYSA-N 0 0 342.826 4.023 50 0 EIAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3Cl)n2)C1 ZINC000013016356 563685509 /nfs/dbraw/zinc/68/55/09/563685509.db2.gz WYJMVHOZIKBCHA-GFCCVEGCSA-N 0 0 349.887 4.281 50 0 EIAARN Cc1ccc(-n2cnn(CN3CCC(C)CC3)c2=S)cc1Cl ZINC000013069576 563686889 /nfs/dbraw/zinc/68/68/89/563686889.db2.gz IWIOUMICRUXIOI-UHFFFAOYSA-N 0 0 336.892 4.055 50 0 EIAARN COc1ccc(-c2nc(N)nc(C)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000013123211 563689175 /nfs/dbraw/zinc/68/91/75/563689175.db2.gz HLVGEAXWIMPDJQ-UHFFFAOYSA-N 0 0 341.798 4.069 50 0 EIAARN CCOc1ccc([C@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000013131557 563690244 /nfs/dbraw/zinc/69/02/44/563690244.db2.gz ABPWFENKLHEUGN-RTBURBONSA-N 0 0 334.423 4.132 50 0 EIAARN CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000013135680 563690538 /nfs/dbraw/zinc/69/05/38/563690538.db2.gz XXPQYYCTEPHAKZ-KRWDZBQOSA-N 0 0 347.462 4.199 50 0 EIAARN O=C(CCc1ccccc1)Nc1c(F)cc(F)cc1Br ZINC000013325659 563694994 /nfs/dbraw/zinc/69/49/94/563694994.db2.gz XGGDMHUIHQGNCL-UHFFFAOYSA-N 0 0 340.167 4.299 50 0 EIAARN CCCCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013331454 563696366 /nfs/dbraw/zinc/69/63/66/563696366.db2.gz JLVCLMNZTNZLAY-UHFFFAOYSA-N 0 0 340.442 4.131 50 0 EIAARN NC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000004427965 563700457 /nfs/dbraw/zinc/70/04/57/563700457.db2.gz DOVIBCPHDNLZGU-CBHFYSFPSA-N 0 0 331.419 4.362 50 0 EIAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1nccs1 ZINC000013689415 563711760 /nfs/dbraw/zinc/71/17/60/563711760.db2.gz JPRVVIJRWKZZIQ-UHFFFAOYSA-N 0 0 335.841 4.481 50 0 EIAARN Fc1cccc(-c2nn3c(nnc3-c3ccc4ccccc4n3)s2)c1 ZINC000013690987 563712277 /nfs/dbraw/zinc/71/22/77/563712277.db2.gz HMGRSHACQWDTSD-UHFFFAOYSA-N 0 0 347.378 4.207 50 0 EIAARN CCCc1cc(C(=O)Nc2ccc(Br)cn2)cs1 ZINC000013746824 563720822 /nfs/dbraw/zinc/72/08/22/563720822.db2.gz YSJGSXPGPBDNSC-UHFFFAOYSA-N 0 0 325.231 4.110 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cn1 ZINC000032753664 563727200 /nfs/dbraw/zinc/72/72/00/563727200.db2.gz WMWJGEYUJONOHQ-UHFFFAOYSA-N 0 0 348.450 4.185 50 0 EIAARN Cc1ccc(C)c(-c2nnc(NC(=O)/C=C/c3cccs3)o2)c1 ZINC000004479494 563729621 /nfs/dbraw/zinc/72/96/21/563729621.db2.gz SVDOCBPEWHRPPD-BQYQJAHWSA-N 0 0 325.393 4.067 50 0 EIAARN Cc1cccc(-c2noc(CN(C(=O)C(C)C)C3CCCCC3)n2)c1 ZINC000013957929 563733182 /nfs/dbraw/zinc/73/31/82/563733182.db2.gz MLCGHRSMWOLEMC-UHFFFAOYSA-N 0 0 341.455 4.362 50 0 EIAARN Cc1ccc(CN(C)[C@H](C)C(=O)Nc2c(F)cccc2F)c(C)c1 ZINC000014066764 563737321 /nfs/dbraw/zinc/73/73/21/563737321.db2.gz LKLCWEWNQGNXNH-CQSZACIVSA-N 0 0 332.394 4.041 50 0 EIAARN COc1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)C2CC2)cc1 ZINC000014092911 563739266 /nfs/dbraw/zinc/73/92/66/563739266.db2.gz GRHTVVNOBYGKNY-UHFFFAOYSA-N 0 0 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Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C(C)(C)C ZINC000014968968 563769044 /nfs/dbraw/zinc/76/90/44/563769044.db2.gz JSORHHWLNQTDED-MRXNPFEDSA-N 0 0 339.483 4.357 50 0 EIAARN O=C(CN1C(=O)SC(=CC=Cc2ccccc2)C1=O)c1ccccc1 ZINC000015010599 563771900 /nfs/dbraw/zinc/77/19/00/563771900.db2.gz VRWSQZPBIJVTEW-DQBOXZGESA-N 0 0 349.411 4.162 50 0 EIAARN COc1cc(Cl)cc(C=Cc2cc(=O)c3ccccc3[nH]2)c1O ZINC000015016954 563772756 /nfs/dbraw/zinc/77/27/56/563772756.db2.gz ACRGDUZLCAUDCT-VOTSOKGWSA-N 0 0 327.767 4.066 50 0 EIAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)NCC[C@@H]1CCCCO1 ZINC000015068340 563775558 /nfs/dbraw/zinc/77/55/58/563775558.db2.gz ONGZHCXCMBZZGQ-ZDUSSCGKSA-N 0 0 335.831 4.392 50 0 EIAARN CC(C)=CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000015068274 563775616 /nfs/dbraw/zinc/77/56/16/563775616.db2.gz QBHNPVKZUXNVHN-KRWDZBQOSA-N 0 0 341.430 4.107 50 0 EIAARN c1[nH]c2ccccc2c1-c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000015083496 563777245 /nfs/dbraw/zinc/77/72/45/563777245.db2.gz VBGDJXCDANGXMS-UHFFFAOYSA-N 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ZINC000016652120 563819430 /nfs/dbraw/zinc/81/94/30/563819430.db2.gz ADGHYGQQMURGDJ-UHFFFAOYSA-N 0 0 332.407 4.014 50 0 EIAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2N1CCC[C@@H](C)C1 ZINC000017121513 563837177 /nfs/dbraw/zinc/83/71/77/563837177.db2.gz LUPOCCFKHGPJDX-GFCCVEGCSA-N 0 0 341.846 4.014 50 0 EIAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2N1CCC[C@H](C)C1 ZINC000017121517 563837228 /nfs/dbraw/zinc/83/72/28/563837228.db2.gz LUPOCCFKHGPJDX-LBPRGKRZSA-N 0 0 341.846 4.014 50 0 EIAARN CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(CSC)cc2)c1 ZINC000032930642 563841322 /nfs/dbraw/zinc/84/13/22/563841322.db2.gz UJEOTWLNOYWHLX-UHFFFAOYSA-N 0 0 342.464 4.459 50 0 EIAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl ZINC000018194885 563850674 /nfs/dbraw/zinc/85/06/74/563850674.db2.gz OQQWIGJNUJLEHO-RKDXNWHRSA-N 0 0 347.629 4.149 50 0 EIAARN Cc1c2ccccc2oc1C(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 ZINC000010643854 563853268 /nfs/dbraw/zinc/85/32/68/563853268.db2.gz ZOIAPABSDMHUEW-KRWDZBQOSA-N 0 0 345.402 4.178 50 0 EIAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)CSCc1ccccc1 ZINC000020064357 563857622 /nfs/dbraw/zinc/85/76/22/563857622.db2.gz UIAJJSYFILRZLN-AWEZNQCLSA-N 0 0 329.440 4.427 50 0 EIAARN O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccc2ccccc2c1 ZINC000010677105 563858788 /nfs/dbraw/zinc/85/87/88/563858788.db2.gz UGMFDYQAGYHYDK-HXUWFJFHSA-N 0 0 337.444 4.269 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000020672787 563859712 /nfs/dbraw/zinc/85/97/12/563859712.db2.gz FVSXJDXWLBQREK-UHFFFAOYSA-N 0 0 347.846 4.116 50 0 EIAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccn1 ZINC000010691650 563860054 /nfs/dbraw/zinc/86/00/54/563860054.db2.gz BACAVXXFUTUQAN-SFHVURJKSA-N 0 0 341.414 4.125 50 0 EIAARN O=C(Nc1cccc2c1CCCC2)N1CCSc2ncccc21 ZINC000020938750 563860398 /nfs/dbraw/zinc/86/03/98/563860398.db2.gz HVRRHNDFMDRWDG-UHFFFAOYSA-N 0 0 325.437 4.105 50 0 EIAARN CCSc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1 ZINC000005241222 563861819 /nfs/dbraw/zinc/86/18/19/563861819.db2.gz RBUUOVWFDGMOGO-UHFFFAOYSA-N 0 0 331.422 4.162 50 0 EIAARN COCc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccccc1OC ZINC000022367581 563862812 /nfs/dbraw/zinc/86/28/12/563862812.db2.gz SBBFOHBSSACPJF-ZDUSSCGKSA-N 0 0 339.391 4.079 50 0 EIAARN Cc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c(F)c1 ZINC000010958558 563873423 /nfs/dbraw/zinc/87/34/23/563873423.db2.gz PGLKGTBJTUJPOD-UHFFFAOYSA-N 0 0 326.375 4.020 50 0 EIAARN O=C(CCn1ccc2ccccc21)Nc1ccc(N2CCCCC2)nc1 ZINC000025064836 563880820 /nfs/dbraw/zinc/88/08/20/563880820.db2.gz MMNOUXYPOCWNGA-UHFFFAOYSA-N 0 0 348.450 4.055 50 0 EIAARN COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2nc(C)cs2)cc1 ZINC000072271459 563896209 /nfs/dbraw/zinc/89/62/09/563896209.db2.gz TXDBEYKKWRXSBO-WMLDXEAASA-N 0 0 344.480 4.317 50 0 EIAARN CC(C)COc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 ZINC000072272718 563901919 /nfs/dbraw/zinc/90/19/19/563901919.db2.gz SEUOADDEIREWMX-UHFFFAOYSA-N 0 0 349.377 4.253 50 0 EIAARN Cc1oc(C)c(C(=O)NCCc2nc3ccccc3n2C(C)C)c1C ZINC000072290294 563908917 /nfs/dbraw/zinc/90/89/17/563908917.db2.gz JZSGNOKBBCTTCA-UHFFFAOYSA-N 0 0 339.439 4.108 50 0 EIAARN COCc1cc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)ccc1F ZINC000072291379 563909016 /nfs/dbraw/zinc/90/90/16/563909016.db2.gz OIPJVSVJLDAQRS-INIZCTEOSA-N 0 0 348.443 4.104 50 0 EIAARN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3)C2)n1 ZINC000072298677 563912412 /nfs/dbraw/zinc/91/24/12/563912412.db2.gz QWEIVFWIOPDISW-DJIMGWMZSA-N 0 0 344.455 4.100 50 0 EIAARN C[C@](NC(=O)c1cc2ccccc2c(Cl)n1)(C1CC1)C(F)(F)F ZINC000072307904 563915985 /nfs/dbraw/zinc/91/59/85/563915985.db2.gz RXZXNZMVVFVXMO-HNNXBMFYSA-N 0 0 342.748 4.349 50 0 EIAARN COc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2 ZINC000000045069 563916935 /nfs/dbraw/zinc/91/69/35/563916935.db2.gz FESMALNHKGVFKV-UHFFFAOYSA-N 0 0 329.355 4.159 50 0 EIAARN Oc1ccccc1Nc1nc2ccccc2c(NCc2ccco2)n1 ZINC000000572960 563917606 /nfs/dbraw/zinc/91/76/06/563917606.db2.gz NIXDVXSPFPQLRV-UHFFFAOYSA-N 0 0 332.363 4.284 50 0 EIAARN Cc1cc(Cl)ccc1OCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000016489480 563917995 /nfs/dbraw/zinc/91/79/95/563917995.db2.gz OTFSEYPIDBKCET-UHFFFAOYSA-N 0 0 344.754 4.006 50 0 EIAARN COCCOc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000016677697 563918177 /nfs/dbraw/zinc/91/81/77/563918177.db2.gz NMSFRDZPIJAYCD-UHFFFAOYSA-N 0 0 340.810 4.489 50 0 EIAARN CC[C@H]1CCCN1C(=O)NCc1ccccc1OCc1ccccc1 ZINC000517713100 563920035 /nfs/dbraw/zinc/92/00/35/563920035.db2.gz LFCOFDLRTNPNTP-IBGZPJMESA-N 0 0 338.451 4.350 50 0 EIAARN C[C@@H](SCc1ccccc1)C(=O)N1CC[C@H]1Cc1ccccc1 ZINC000072311742 563920109 /nfs/dbraw/zinc/92/01/09/563920109.db2.gz GRVUBYRKRNDGTC-APWZRJJASA-N 0 0 325.477 4.152 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000038849535 563922319 /nfs/dbraw/zinc/92/23/19/563922319.db2.gz MCQZJUFZDQYACY-UHFFFAOYSA-N 0 0 325.799 4.146 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000038849646 563922380 /nfs/dbraw/zinc/92/23/80/563922380.db2.gz INAHZWDLEUMVQE-UHFFFAOYSA-N 0 0 325.799 4.146 50 0 EIAARN CCc1csc(-c2ccc(CNC(=O)/C=C/c3ccco3)cc2)n1 ZINC000097938118 563922697 /nfs/dbraw/zinc/92/26/97/563922697.db2.gz RPPZYURTGGXPEK-MDZDMXLPSA-N 0 0 338.432 4.295 50 0 EIAARN COc1cccc(CCC(=O)Nc2cnc(-c3ccc(C)cc3)nc2)c1 ZINC000097938530 563923033 /nfs/dbraw/zinc/92/30/33/563923033.db2.gz XZRKKIADHNQREO-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 EIAARN O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1ccc(F)cc1 ZINC000097938588 563923056 /nfs/dbraw/zinc/92/30/56/563923056.db2.gz AONFOTQSUHPGCQ-UHFFFAOYSA-N 0 0 327.746 4.188 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@H](c3cccc(O)c3)O2)C1 ZINC000040450002 563923106 /nfs/dbraw/zinc/92/31/06/563923106.db2.gz ISFDSEQAKHNOGE-APWZRJJASA-N 0 0 333.428 4.013 50 0 EIAARN Cc1c(Cl)ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1Cl ZINC000041095125 563924259 /nfs/dbraw/zinc/92/42/59/563924259.db2.gz NEGSWUUJKOPRRH-NSHDSACASA-N 0 0 344.263 4.341 50 0 EIAARN CN(Cc1ccccc1F)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000044124959 563926145 /nfs/dbraw/zinc/92/61/45/563926145.db2.gz FLFUABZSQYAQLW-OAQYLSRUSA-N 0 0 346.405 4.351 50 0 EIAARN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cccc(Cl)c1 ZINC000044900835 563927758 /nfs/dbraw/zinc/92/77/58/563927758.db2.gz DNVAEJJNFQADCA-MRXNPFEDSA-N 0 0 341.798 4.320 50 0 EIAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cccc2nccnc21 ZINC000072314709 563930746 /nfs/dbraw/zinc/93/07/46/563930746.db2.gz JHFAONDMHIXXGJ-LJQANCHMSA-N 0 0 344.418 4.026 50 0 EIAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](C)C(C)(C)C ZINC000071902333 563931635 /nfs/dbraw/zinc/93/16/35/563931635.db2.gz JFHRWISSKZCMNN-ZDUSSCGKSA-N 0 0 328.416 4.133 50 0 EIAARN Cc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cl ZINC000011128932 563931804 /nfs/dbraw/zinc/93/18/04/563931804.db2.gz JETPGNTWLFJZQM-KRWDZBQOSA-N 0 0 332.806 4.219 50 0 EIAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 ZINC000051498734 563931899 /nfs/dbraw/zinc/93/18/99/563931899.db2.gz YCGLVVANDSNOQD-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN CC[C@H](CO)N(Cc1ccsc1)C(=O)c1cccc(C)c1Cl ZINC000055132517 563933753 /nfs/dbraw/zinc/93/37/53/563933753.db2.gz IQSUIXDYYOTRDC-CQSZACIVSA-N 0 0 337.872 4.123 50 0 EIAARN COCc1ccc(C(=O)N(C)CCSc2ccc(C)cc2)s1 ZINC000055166771 563933914 /nfs/dbraw/zinc/93/39/14/563933914.db2.gz YMXHBKXPERLDOZ-UHFFFAOYSA-N 0 0 335.494 4.067 50 0 EIAARN COCCN(Cc1sccc1C)c1nc(C)nc2sccc21 ZINC000055269507 563934288 /nfs/dbraw/zinc/93/42/88/563934288.db2.gz FXYGNGREDZSPRD-UHFFFAOYSA-N 0 0 333.482 4.023 50 0 EIAARN COCCN(Cc1c(Cl)nc2sccn21)Cc1ccc(C)cc1 ZINC000055281692 563934289 /nfs/dbraw/zinc/93/42/89/563934289.db2.gz ZVWANBQSVDVLMZ-UHFFFAOYSA-N 0 0 349.887 4.006 50 0 EIAARN CCCCOc1c(CN[C@@H](C)c2ncccc2C)cccc1OC ZINC000055310116 563934406 /nfs/dbraw/zinc/93/44/06/563934406.db2.gz PPIWPJFOKZUKJI-INIZCTEOSA-N 0 0 328.456 4.428 50 0 EIAARN Cc1ccc(CN(Cc2ccncc2)Cc2nc(C)ccc2O)s1 ZINC000055341299 563934497 /nfs/dbraw/zinc/93/44/97/563934497.db2.gz MOCPDHQBAFUAMC-UHFFFAOYSA-N 0 0 339.464 4.063 50 0 EIAARN Cc1ccccc1Cc1nnc(NC(=O)C/C=C/c2ccccc2)s1 ZINC000055393660 563934801 /nfs/dbraw/zinc/93/48/01/563934801.db2.gz JDTCJIBBQAHINK-YRNVUSSQSA-N 0 0 349.459 4.479 50 0 EIAARN CC(=O)c1ccc(OCC(=O)N(Cc2ccsc2)CC(C)C)cc1 ZINC000055576284 563934996 /nfs/dbraw/zinc/93/49/96/563934996.db2.gz PEOCDHDPYDNWEW-UHFFFAOYSA-N 0 0 345.464 4.014 50 0 EIAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000057996254 563936386 /nfs/dbraw/zinc/93/63/86/563936386.db2.gz HABRTJVNFRSDRM-CQSZACIVSA-N 0 0 348.450 4.475 50 0 EIAARN O=C(CN1CCC(CCc2ccccc2)CC1)Nc1ccccc1F ZINC000011155014 563936414 /nfs/dbraw/zinc/93/64/14/563936414.db2.gz RMWVRXZAJYIXKD-UHFFFAOYSA-N 0 0 340.442 4.109 50 0 EIAARN O=C(NCc1cccs1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000058023218 563936805 /nfs/dbraw/zinc/93/68/05/563936805.db2.gz FEGNDJULIBCJNW-UHFFFAOYSA-N 0 0 348.471 4.241 50 0 EIAARN O=[S@@](CCCOc1ccc(F)cc1)Cc1ccc(F)cc1Cl ZINC000058131381 563937628 /nfs/dbraw/zinc/93/76/28/563937628.db2.gz LYHZIZUHSUJDJA-JOCHJYFZSA-N 0 0 344.810 4.336 50 0 EIAARN O=[S@](CCCOc1ccc(F)cc1)Cc1c(F)cccc1Cl ZINC000058130863 563937656 /nfs/dbraw/zinc/93/76/56/563937656.db2.gz QKWSFBDKOBXROB-QFIPXVFZSA-N 0 0 344.810 4.336 50 0 EIAARN Cc1ccccc1C(=O)Nc1cc(F)ccc1Sc1nccn1C ZINC000058136166 563937663 /nfs/dbraw/zinc/93/76/63/563937663.db2.gz AVLBCNOLCRIONW-UHFFFAOYSA-N 0 0 341.411 4.271 50 0 EIAARN CC[C@H](NC(=O)Nc1ccc(F)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000058156931 563937984 /nfs/dbraw/zinc/93/79/84/563937984.db2.gz IPDZIAAKUOYIME-INIZCTEOSA-N 0 0 338.386 4.489 50 0 EIAARN C[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(F)cc2)no1 ZINC000058177772 563939112 /nfs/dbraw/zinc/93/91/12/563939112.db2.gz SJHSKMMHSIEISS-JTQLQIEISA-N 0 0 345.761 4.020 50 0 EIAARN COc1ccc(C(=O)N(C)CCC(F)(F)F)cc1-c1ccccc1 ZINC000058192636 563939476 /nfs/dbraw/zinc/93/94/76/563939476.db2.gz UXXJWWOQZUOYOT-UHFFFAOYSA-N 0 0 337.341 4.387 50 0 EIAARN CC(C)c1nc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cs1 ZINC000058208492 563939852 /nfs/dbraw/zinc/93/98/52/563939852.db2.gz PMEBQESKXFGQDD-ZDUSSCGKSA-N 0 0 343.496 4.466 50 0 EIAARN CC(C)c1nc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cs1 ZINC000058208493 563939874 /nfs/dbraw/zinc/93/98/74/563939874.db2.gz PMEBQESKXFGQDD-CYBMUJFWSA-N 0 0 343.496 4.466 50 0 EIAARN CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000058263980 563940949 /nfs/dbraw/zinc/94/09/49/563940949.db2.gz CPSDCMUQSYIZJT-UHFFFAOYSA-N 0 0 339.407 4.087 50 0 EIAARN CC(C)Oc1ccccc1[C@H](C)Nc1cc(C(N)=O)c2ccccc2n1 ZINC000058312659 563942278 /nfs/dbraw/zinc/94/22/78/563942278.db2.gz QSKOWTPCZYXNFL-AWEZNQCLSA-N 0 0 349.434 4.294 50 0 EIAARN COc1cccc(CC(=O)N(CCc2ccccc2)C2CCCC2)c1 ZINC000058312078 563942306 /nfs/dbraw/zinc/94/23/06/563942306.db2.gz KGNNTTBCGVWSIZ-UHFFFAOYSA-N 0 0 337.463 4.252 50 0 EIAARN C[C@H]1CCN(C(=O)CNc2cc(F)cc(F)c2)c2ccccc2S1 ZINC000058324655 563942482 /nfs/dbraw/zinc/94/24/82/563942482.db2.gz XJOVFSKUAWLFTN-LBPRGKRZSA-N 0 0 348.418 4.294 50 0 EIAARN Cc1[nH]c2c(cccc2C(=O)Nc2ccc(-c3nnco3)cc2)c1C ZINC000058356132 563943406 /nfs/dbraw/zinc/94/34/06/563943406.db2.gz UTPIYMZZTKOQAW-UHFFFAOYSA-N 0 0 332.363 4.087 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2C(C)C)c2cnn(C(C)C)c2n1 ZINC000058363296 563943788 /nfs/dbraw/zinc/94/37/88/563943788.db2.gz JVWMREXAJOESGE-GOSISDBHSA-N 0 0 342.487 4.396 50 0 EIAARN CN(CCc1ccccn1)c1ncnc2scc(-c3ccccc3)c21 ZINC000058365849 563943906 /nfs/dbraw/zinc/94/39/06/563943906.db2.gz UKTZMMMNHZIZDY-UHFFFAOYSA-N 0 0 346.459 4.432 50 0 EIAARN CSc1nnc(COc2ccc(C(=O)c3ccccc3)cc2)s1 ZINC000058381517 563944446 /nfs/dbraw/zinc/94/44/46/563944446.db2.gz NDKSHKIZFKWERM-UHFFFAOYSA-N 0 0 342.445 4.070 50 0 EIAARN O=C(NC1(c2ccc(F)cc2)CCCC1)[C@H]1Cc2ccccc2S1 ZINC000058391907 563944492 /nfs/dbraw/zinc/94/44/92/563944492.db2.gz HRSQPWKRSSABDU-GOSISDBHSA-N 0 0 341.451 4.428 50 0 EIAARN C[C@H](CC[C@@H]1CCCO1)NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000058417631 563945494 /nfs/dbraw/zinc/94/54/94/563945494.db2.gz STAQJLYYZSFGBZ-ZBFHGGJFSA-N 0 0 336.435 4.399 50 0 EIAARN Cc1ccc(-c2nc(CN(C[C@H](C)O)c3ccccc3)cs2)o1 ZINC000058425871 563946049 /nfs/dbraw/zinc/94/60/49/563946049.db2.gz SINSEOBHZUCXOG-ZDUSSCGKSA-N 0 0 328.437 4.099 50 0 EIAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1nccc2ccccc21 ZINC000058433833 563946378 /nfs/dbraw/zinc/94/63/78/563946378.db2.gz VEYHAVQUVRBVSX-GOSISDBHSA-N 0 0 348.402 4.045 50 0 EIAARN O=C([C@@H](NCc1cc2ccccc2[nH]1)c1ccccc1)N1CCCCC1 ZINC000058472135 563946708 /nfs/dbraw/zinc/94/67/08/563946708.db2.gz HKAVOAZNDGQVOU-NRFANRHFSA-N 0 0 347.462 4.011 50 0 EIAARN CN(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000059996910 563949526 /nfs/dbraw/zinc/94/95/26/563949526.db2.gz MAVMYICPMNWMJN-GOSISDBHSA-N 0 0 342.870 4.253 50 0 EIAARN CN(Cc1cscn1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000096404678 563949990 /nfs/dbraw/zinc/94/99/90/563949990.db2.gz UODSTTYRPIEMEY-CHWSQXEVSA-N 0 0 341.263 4.212 50 0 EIAARN Cc1ccsc1-c1nc(CS(=O)(=O)c2ccccc2)cs1 ZINC000096409611 563950274 /nfs/dbraw/zinc/95/02/74/563950274.db2.gz HCFSQOGIDZCOBZ-UHFFFAOYSA-N 0 0 335.475 4.154 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000096417641 563951371 /nfs/dbraw/zinc/95/13/71/563951371.db2.gz JIVJLGKELBEYTC-ZIAGYGMSSA-N 0 0 339.395 4.364 50 0 EIAARN CCc1nc(CSCc2nnc(Cc3ccccc3)o2)cs1 ZINC000096433422 563952856 /nfs/dbraw/zinc/95/28/56/563952856.db2.gz IDCJCCKWILNQFN-UHFFFAOYSA-N 0 0 331.466 4.113 50 0 EIAARN O=C(NCc1cccc(-n2ccnc2)c1)c1c(Cl)cccc1Cl ZINC000096446792 563953418 /nfs/dbraw/zinc/95/34/18/563953418.db2.gz KCXIYCGVTVHMBL-UHFFFAOYSA-N 0 0 346.217 4.109 50 0 EIAARN CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c(F)c1 ZINC000096454964 563953847 /nfs/dbraw/zinc/95/38/47/563953847.db2.gz BTRWPTKCUCVTCO-INIZCTEOSA-N 0 0 346.406 4.095 50 0 EIAARN O=C(N/C=C/c1ccc(Br)cc1)OCc1ccccc1 ZINC000065337154 563958064 /nfs/dbraw/zinc/95/80/64/563958064.db2.gz QTNNGECHOBOGOH-ZHACJKMWSA-N 0 0 332.197 4.346 50 0 EIAARN CCCOc1ccc(CN2Cc3cc(Cl)ccc3OCC2=O)cc1 ZINC000065184375 563958073 /nfs/dbraw/zinc/95/80/73/563958073.db2.gz FYVKWDBTNMWTMK-UHFFFAOYSA-N 0 0 345.826 4.050 50 0 EIAARN c1nc(-c2ccccc2)c(-c2cncnc2)n1CCNc1ccccc1 ZINC000065409776 563960425 /nfs/dbraw/zinc/96/04/25/563960425.db2.gz XCXPJFTYEFPOIC-UHFFFAOYSA-N 0 0 341.418 4.119 50 0 EIAARN CC(C)CCC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067690453 563962499 /nfs/dbraw/zinc/96/24/99/563962499.db2.gz FGAWFGJVXKHOTR-UHFFFAOYSA-N 0 0 334.366 4.205 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)c2cc(COc3ccccc3)n[nH]2)c(C)c1 ZINC000067689024 563962524 /nfs/dbraw/zinc/96/25/24/563962524.db2.gz UWFVGKQCYGYIJY-MRXNPFEDSA-N 0 0 349.434 4.097 50 0 EIAARN Cc1[nH]c2ccc(C(=O)N3Cc4cnc(C(C)(C)C)nc4C3)cc2c1C ZINC000067758400 563962684 /nfs/dbraw/zinc/96/26/84/563962684.db2.gz DOSZTTPHPDGHLX-UHFFFAOYSA-N 0 0 348.450 4.028 50 0 EIAARN COc1ccc(-c2nccn2[C@H](C)c2ccc(O)cc2)c(OC)c1C ZINC000067820371 563962842 /nfs/dbraw/zinc/96/28/42/563962842.db2.gz PFOUUFSGGWCQGX-CQSZACIVSA-N 0 0 338.407 4.191 50 0 EIAARN Cc1ccccc1Nc1nc(C(=O)NCc2ccc(F)cc2)cs1 ZINC000004687867 563964410 /nfs/dbraw/zinc/96/44/10/563964410.db2.gz HMNLNAKIYQWIPF-UHFFFAOYSA-N 0 0 341.411 4.264 50 0 EIAARN Cc1nc(CSc2nnc(COc3cc(C)ccc3C)o2)oc1C ZINC000060533984 563964683 /nfs/dbraw/zinc/96/46/83/563964683.db2.gz ZVWBZFWSYXMJHI-UHFFFAOYSA-N 0 0 345.424 4.163 50 0 EIAARN OCc1cnc(SCc2ccccc2F)n1CCc1ccccc1 ZINC000004720196 563966025 /nfs/dbraw/zinc/96/60/25/563966025.db2.gz BPZQPLOKUZSNGD-UHFFFAOYSA-N 0 0 342.439 4.050 50 0 EIAARN Cc1cccc(CSc2ncc(CO)n2CCc2ccccc2)c1 ZINC000004720033 563966037 /nfs/dbraw/zinc/96/60/37/563966037.db2.gz MWDCMFURYBIJLL-UHFFFAOYSA-N 0 0 338.476 4.219 50 0 EIAARN Cc1nccn1-c1ccc([C@@H](C)NCc2ncc(C(C)(C)C)o2)cc1 ZINC000097033728 563966858 /nfs/dbraw/zinc/96/68/58/563966858.db2.gz PLLZWPYEZQEIFV-CQSZACIVSA-N 0 0 338.455 4.317 50 0 EIAARN CC[C@@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1cccs1 ZINC000097033487 563966869 /nfs/dbraw/zinc/96/68/69/563966869.db2.gz IBUXCUADNFSHFS-ZIAGYGMSSA-N 0 0 332.473 4.086 50 0 EIAARN Cc1nccn1-c1ccc([C@H](C)NCc2ncc(C(C)(C)C)o2)cc1 ZINC000097033729 563966873 /nfs/dbraw/zinc/96/68/73/563966873.db2.gz PLLZWPYEZQEIFV-AWEZNQCLSA-N 0 0 338.455 4.317 50 0 EIAARN Cc1nc(CSc2n[nH]c(C=Cc3ccc(F)cc3)n2)cs1 ZINC000096837122 563967147 /nfs/dbraw/zinc/96/71/47/563967147.db2.gz 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/nfs/dbraw/zinc/96/84/73/563968473.db2.gz SRCOBQHZJCICQW-UHFFFAOYSA-N 0 0 332.713 4.051 50 0 EIAARN C[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cc2ccccc2s1 ZINC000337309788 563968603 /nfs/dbraw/zinc/96/86/03/563968603.db2.gz ZNRBTUDTRPHYPP-GFCCVEGCSA-N 0 0 348.427 4.234 50 0 EIAARN Cc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000000088222 563968654 /nfs/dbraw/zinc/96/86/54/563968654.db2.gz NZDFJFDLBZMFJW-UHFFFAOYSA-N 0 0 338.716 4.366 50 0 EIAARN CCc1cccc(C)c1NC(=O)COc1ccc(Br)cc1 ZINC000000053952 563970654 /nfs/dbraw/zinc/97/06/54/563970654.db2.gz JFPVXBAUWNUTTK-UHFFFAOYSA-N 0 0 348.240 4.337 50 0 EIAARN c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000097236025 563970712 /nfs/dbraw/zinc/97/07/12/563970712.db2.gz VVBSSJGZIGDNHO-HNAYVOBHSA-N 0 0 345.464 4.216 50 0 EIAARN Cc1nc2sc3c(c2c(Nc2ccc4c(c2)OCCO4)n1)CCC3 ZINC000000055511 563971089 /nfs/dbraw/zinc/97/10/89/563971089.db2.gz UHUBAJDMWGJQRY-UHFFFAOYSA-N 0 0 339.420 4.003 50 0 EIAARN Cc1cc(C)n2c(nc(-c3ccccc3O)c2Nc2ccccc2)n1 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CC(C)(C)C(=O)COc1ccc2c(c1)oc(=O)c1c2CCCCC1 ZINC000004747502 563973065 /nfs/dbraw/zinc/97/30/65/563973065.db2.gz OZRMIXPDWIMZLN-UHFFFAOYSA-N 0 0 328.408 4.056 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000004751558 563973129 /nfs/dbraw/zinc/97/31/29/563973129.db2.gz AZDMEALARANOBK-NSHDSACASA-N 0 0 339.778 4.038 50 0 EIAARN O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccccc1 ZINC000004764122 563973594 /nfs/dbraw/zinc/97/35/94/563973594.db2.gz UINMFGCGGLMZIF-CCEZHUSRSA-N 0 0 340.382 4.262 50 0 EIAARN CCOC(=O)c1ccc(-c2ccc(C(=O)OCC)cc2C)c(C)c1 ZINC000085483178 563973830 /nfs/dbraw/zinc/97/38/30/563973830.db2.gz NQAJKEFVVKYKNC-UHFFFAOYSA-N 0 0 326.392 4.324 50 0 EIAARN CSc1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1 ZINC000085651647 563973867 /nfs/dbraw/zinc/97/38/67/563973867.db2.gz XBTMPSXFNJDSPJ-UHFFFAOYSA-N 0 0 343.517 4.188 50 0 EIAARN O=C(c1ccc(Cl)cc1)c1ccccc1CN1CCSCC1 ZINC000085651653 563973871 /nfs/dbraw/zinc/97/38/71/563973871.db2.gz OEYURYYFXMYYIS-UHFFFAOYSA-N 0 0 331.868 4.120 50 0 EIAARN O=C(c1cccc(Cl)c1)c1ccccc1CN1CCSCC1 ZINC000085651652 563973889 /nfs/dbraw/zinc/97/38/89/563973889.db2.gz LTBNSFUZRPPHQE-UHFFFAOYSA-N 0 0 331.868 4.120 50 0 EIAARN O=C(NC[C@@H](c1ccco1)c1cccs1)c1c(F)cccc1F ZINC000585146707 563973951 /nfs/dbraw/zinc/97/39/51/563973951.db2.gz FGAKBTBBGAVSAH-NSHDSACASA-N 0 0 333.359 4.181 50 0 EIAARN Cc1ccc(-c2nc(NCc3ccco3)n(C(=O)CC(C)C)n2)cc1 ZINC000004783719 563974470 /nfs/dbraw/zinc/97/44/70/563974470.db2.gz ZSZDYCGUDKGUSD-UHFFFAOYSA-N 0 0 338.411 4.145 50 0 EIAARN CC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccccc1Cl ZINC000004783724 563974473 /nfs/dbraw/zinc/97/44/73/563974473.db2.gz BNCWBBCAYMWIFR-UHFFFAOYSA-N 0 0 340.814 4.179 50 0 EIAARN Cc1nc(C)c([C@@H](C)N(C)Cc2nnc(-c3ccc(F)cc3)o2)s1 ZINC000072610883 563975016 /nfs/dbraw/zinc/97/50/16/563975016.db2.gz GBPHDDNOPANCET-LLVKDONJSA-N 0 0 346.431 4.142 50 0 EIAARN FC(F)(F)c1nccc(NCc2scnc2-c2ccccc2)n1 ZINC000091255553 563975145 /nfs/dbraw/zinc/97/51/45/563975145.db2.gz BUYOMZCXCFLACR-UHFFFAOYSA-N 0 0 336.342 4.231 50 0 EIAARN Cc1ccc(C)c(C(=O)N2CCC(c3nccn3C(C)C)CC2)c1 ZINC000091519368 563975446 /nfs/dbraw/zinc/97/54/46/563975446.db2.gz NAGVEILVJQJJPA-UHFFFAOYSA-N 0 0 325.456 4.101 50 0 EIAARN CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3ccncn3)cc2)n1 ZINC000091695745 563975704 /nfs/dbraw/zinc/97/57/04/563975704.db2.gz CPUNIRPCJFCQGJ-UHFFFAOYSA-N 0 0 344.340 4.290 50 0 EIAARN CCN(Cc1noc(C2CCC2)n1)C(=O)c1ccc2oc(C)cc2c1 ZINC000091706893 563975719 /nfs/dbraw/zinc/97/57/19/563975719.db2.gz ZZJUSHOLSPUDRP-UHFFFAOYSA-N 0 0 339.395 4.054 50 0 EIAARN Cc1[nH]c2c(c1C(=O)N1CCCCC[C@@H]1c1ccco1)C(=O)CCC2 ZINC000091781065 563975741 /nfs/dbraw/zinc/97/57/41/563975741.db2.gz OHEIVHNJOOQBBQ-OAHLLOKOSA-N 0 0 340.423 4.193 50 0 EIAARN O=C(CCc1ccsc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011418234 563975808 /nfs/dbraw/zinc/97/58/08/563975808.db2.gz WIQNEFIOCBTPMU-UHFFFAOYSA-N 0 0 348.855 4.100 50 0 EIAARN Cc1ccc2nc(NC(=O)[C@@H]3Cc4ccccc4S3)sc2c1 ZINC000011429290 563976098 /nfs/dbraw/zinc/97/60/98/563976098.db2.gz SVDACHWUWFVKLY-HNNXBMFYSA-N 0 0 326.446 4.260 50 0 EIAARN O=C(Cc1ccc2ccccc2c1)NCc1ccc(OC(F)F)cc1 ZINC000011509607 563976597 /nfs/dbraw/zinc/97/65/97/563976597.db2.gz GARLMLIXFCIHMV-UHFFFAOYSA-N 0 0 341.357 4.300 50 0 EIAARN O=C(c1ccccc1-c1ncc[nH]1)N1CCCCC[C@H]1c1ccco1 ZINC000095357884 563976736 /nfs/dbraw/zinc/97/67/36/563976736.db2.gz VVVLKVQRKFJUDT-KRWDZBQOSA-N 0 0 335.407 4.427 50 0 EIAARN CC(C)[C@H]1C=CCN1C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000095379133 563976862 /nfs/dbraw/zinc/97/68/62/563976862.db2.gz PQINCAFJCMPGPX-OAQYLSRUSA-N 0 0 343.430 4.333 50 0 EIAARN CCCCn1ccnc1[C@@H]1CCCN(Cc2csc(CC)n2)C1 ZINC000095379109 563976895 /nfs/dbraw/zinc/97/68/95/563976895.db2.gz OIQIERBEIIWLLZ-OAHLLOKOSA-N 0 0 332.517 4.082 50 0 EIAARN Cc1nc(C2CC2)ncc1C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000095385055 563976939 /nfs/dbraw/zinc/97/69/39/563976939.db2.gz AOBFWQGGAPJQRB-IBGZPJMESA-N 0 0 349.478 4.290 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c1 ZINC000095385262 563976947 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563977893 /nfs/dbraw/zinc/97/78/93/563977893.db2.gz SZKBZASAQOHJMV-UHFFFAOYSA-N 0 0 326.375 4.020 50 0 EIAARN Cc1nnc(-c2cccc(-c3cccc(C(=O)N4CCCCC4)c3)c2)o1 ZINC000096132694 563979378 /nfs/dbraw/zinc/97/93/78/563979378.db2.gz IKHAJTCUSZHKAO-UHFFFAOYSA-N 0 0 347.418 4.338 50 0 EIAARN Cc1cc(OC(F)F)ccc1NC(=O)N(C)CCC[C@H]1CCCO1 ZINC000096136144 563979410 /nfs/dbraw/zinc/97/94/10/563979410.db2.gz BDZCOIALHOLESD-ZDUSSCGKSA-N 0 0 342.386 4.019 50 0 EIAARN CC(C)Oc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)cc1 ZINC000096153219 563979742 /nfs/dbraw/zinc/97/97/42/563979742.db2.gz QBKPZWAURUXRHF-OAHLLOKOSA-N 0 0 342.439 4.221 50 0 EIAARN Cc1ccc(C)n1-c1sccc1C(=O)N(C)Cc1c(C)noc1C ZINC000078628382 563980092 /nfs/dbraw/zinc/98/00/92/563980092.db2.gz BIHZRWMBAZGOLV-UHFFFAOYSA-N 0 0 343.452 4.033 50 0 EIAARN CN(C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)c1ccccc1 ZINC000011565775 563980802 /nfs/dbraw/zinc/98/08/02/563980802.db2.gz FAXAKDRECMNGRD-UHFFFAOYSA-N 0 0 348.185 4.376 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1cccc(SC)c1)c1ccccc1 ZINC000011582592 563981069 /nfs/dbraw/zinc/98/10/69/563981069.db2.gz CDRJYAHXOXRIOQ-QGZVFWFLSA-N 0 0 343.448 4.084 50 0 EIAARN CCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 ZINC000004816493 563981116 /nfs/dbraw/zinc/98/11/16/563981116.db2.gz CDSJKPYQZWHOFL-MOPGFXCFSA-N 0 0 346.434 4.064 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OC[C@H]1CCCO1 ZINC000011594421 563981202 /nfs/dbraw/zinc/98/12/02/563981202.db2.gz JUSVCXAEPNFNMZ-CYBMUJFWSA-N 0 0 337.828 4.108 50 0 EIAARN CCC[C@@H](NC(=O)[C@H](C)Sc1nccn1CC)c1ccccc1 ZINC000011605691 563981226 /nfs/dbraw/zinc/98/12/26/563981226.db2.gz BVWUNRLHANITHJ-GOEBONIOSA-N 0 0 331.485 4.041 50 0 EIAARN CCCCCOc1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12 ZINC000011614023 563981243 /nfs/dbraw/zinc/98/12/43/563981243.db2.gz BUGGNJBSARBKHF-UHFFFAOYSA-N 0 0 349.496 4.486 50 0 EIAARN Cc1nc(C)c(CC(=O)N(Cc2ccncc2)C2CCCCC2)s1 ZINC000097499560 563981627 /nfs/dbraw/zinc/98/16/27/563981627.db2.gz OIRDOFLDWKGBBM-UHFFFAOYSA-N 0 0 343.496 4.059 50 0 EIAARN CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1cnc2ccccc2n1 ZINC000097600993 563981721 /nfs/dbraw/zinc/98/17/21/563981721.db2.gz IYPQNURZTXNFCY-IBGZPJMESA-N 0 0 337.423 4.096 50 0 EIAARN O=C(c1cnc2c(c1)CCCC2)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000097776246 563981872 /nfs/dbraw/zinc/98/18/72/563981872.db2.gz QTFAUOYPMIMRRU-UHFFFAOYSA-N 0 0 345.446 4.247 50 0 EIAARN Cn1c2ccccc2c2ccc(C[N@@H+]3CCCC[C@H]3CC(=O)[O-])cc21 ZINC000097797248 563981931 /nfs/dbraw/zinc/98/19/31/563981931.db2.gz FYPZETOFAFUUQB-INIZCTEOSA-N 0 0 336.435 4.161 50 0 EIAARN Cc1cccc(C[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000100561288 563982665 /nfs/dbraw/zinc/98/26/65/563982665.db2.gz MFZPHGWZLSLFLL-ZDUSSCGKSA-N 0 0 348.229 4.424 50 0 EIAARN Cc1ccc(C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2C)cc1 ZINC000100617624 563982677 /nfs/dbraw/zinc/98/26/77/563982677.db2.gz JEPUGZUKMWWDRO-GUYCJALGSA-N 0 0 327.811 4.017 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)CN3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000014075321 563983135 /nfs/dbraw/zinc/98/31/35/563983135.db2.gz BYNFQBLCVCLNCF-GJZGRUSLSA-N 0 0 343.496 4.035 50 0 EIAARN CCCC(=O)Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O ZINC000000101404 563983812 /nfs/dbraw/zinc/98/38/12/563983812.db2.gz LALBBQUKLKLXNN-UHFFFAOYSA-N 0 0 338.359 4.174 50 0 biogenic EIAARN CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000539434392 563983968 /nfs/dbraw/zinc/98/39/68/563983968.db2.gz AQLSBNNENCGICH-MSOLQXFVSA-N 0 0 348.402 4.026 50 0 EIAARN Cc1cccc(-n2c(/C=C\c3cccnc3)nc3ccccc3c2=O)c1 ZINC000033417437 563984335 /nfs/dbraw/zinc/98/43/35/563984335.db2.gz UDXOKVRGXFJGFJ-QXMHVHEDSA-N 0 0 339.398 4.260 50 0 EIAARN Cc1cc(C)n(-c2nc(C)c(C(=O)Nc3c(C)cccc3C)s2)n1 ZINC000014608772 563986118 /nfs/dbraw/zinc/98/61/18/563986118.db2.gz VGOCZHJFYMLCAY-UHFFFAOYSA-N 0 0 340.452 4.123 50 0 EIAARN Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000000110793 563986644 /nfs/dbraw/zinc/98/66/44/563986644.db2.gz CKSDOHFQQJFJLM-AWEZNQCLSA-N 0 0 343.398 4.188 50 0 EIAARN CCCc1ccc(OCc2ccc(C(=O)n3cc(Cl)cn3)o2)cc1 ZINC000000115468 563986691 /nfs/dbraw/zinc/98/66/91/563986691.db2.gz PDHZMMDZJUUJRN-UHFFFAOYSA-N 0 0 344.798 4.350 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1C ZINC000000131896 563986974 /nfs/dbraw/zinc/98/69/74/563986974.db2.gz RGJGJZNFOXIJHI-UHFFFAOYSA-N 0 0 325.408 4.222 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2ccccc2)C1=O ZINC000000137361 563987047 /nfs/dbraw/zinc/98/70/47/563987047.db2.gz GCFQIFPBARLFHR-KRWDZBQOSA-N 0 0 343.423 4.139 50 0 EIAARN Cc1ccc(OCC(=O)Nc2nnc(C(C)C)s2)c(C(C)(C)C)c1 ZINC000000142008 563987127 /nfs/dbraw/zinc/98/71/27/563987127.db2.gz OMLFONHZQHLHFX-UHFFFAOYSA-N 0 0 347.484 4.285 50 0 EIAARN O=C(c1ccc(Cl)cc1)[C@H](Oc1ccc(Cl)cc1)n1cncn1 ZINC000000179823 563987721 /nfs/dbraw/zinc/98/77/21/563987721.db2.gz VWGSPJTUAWVQHY-INIZCTEOSA-N 0 0 348.189 4.045 50 0 EIAARN COc1ccccc1/C=C/C1=N/C(=C\c2ccc(Cl)cc2)C(=O)O1 ZINC000000178481 563987755 /nfs/dbraw/zinc/98/77/55/563987755.db2.gz ZAGFOVQSIJPMCG-NJAVVXAXSA-N 0 0 339.778 4.358 50 0 EIAARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1 ZINC000000189404 563988027 /nfs/dbraw/zinc/98/80/27/563988027.db2.gz BNIQOGYPNNXPPF-UHFFFAOYSA-N 0 0 335.432 4.180 50 0 EIAARN CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000000201157 563988366 /nfs/dbraw/zinc/98/83/66/563988366.db2.gz JILGKFNICBEHQQ-UHFFFAOYSA-N 0 0 349.433 4.188 50 0 EIAARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1F ZINC000000203144 563988413 /nfs/dbraw/zinc/98/84/13/563988413.db2.gz MMNCXGDFFHZJDH-UHFFFAOYSA-N 0 0 331.350 4.393 50 0 EIAARN Fc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000000205869 563988512 /nfs/dbraw/zinc/98/85/12/563988512.db2.gz ZQBUZNPHZFDPCF-HOTGVXAUSA-N 0 0 328.778 4.217 50 0 EIAARN CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccc1F ZINC000000214808 563988653 /nfs/dbraw/zinc/98/86/53/563988653.db2.gz BDCZUQMVSWZHCU-PPYGMBNGSA-N 0 0 348.462 4.121 50 0 EIAARN Cc1ccccc1NS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000000226325 563988946 /nfs/dbraw/zinc/98/89/46/563988946.db2.gz YNPFIOHGVOTPSH-UHFFFAOYSA-N 0 0 340.448 4.015 50 0 EIAARN O=C(NC1CCCCC1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000000246331 563989390 /nfs/dbraw/zinc/98/93/90/563989390.db2.gz ADZLVMLREIHPHR-NRFANRHFSA-N 0 0 334.463 4.239 50 0 EIAARN CC(C)C(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000000252985 563989515 /nfs/dbraw/zinc/98/95/15/563989515.db2.gz ZXCNBVNVUMKDKO-UHFFFAOYSA-N 0 0 340.354 4.419 50 0 EIAARN O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCCCCC1 ZINC000000263893 563989852 /nfs/dbraw/zinc/98/98/52/563989852.db2.gz VSKNRGBHXASDHI-UHFFFAOYSA-N 0 0 342.675 4.212 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(NCc3cccnc3)cc2)cc1 ZINC000000303387 563990862 /nfs/dbraw/zinc/99/08/62/563990862.db2.gz TVWNRWNMJKCWAP-UHFFFAOYSA-N 0 0 347.418 4.020 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1 ZINC000000311785 563990937 /nfs/dbraw/zinc/99/09/37/563990937.db2.gz QXRRRUJESCBHBB-UHFFFAOYSA-N 0 0 344.625 4.342 50 0 EIAARN c1cc(-c2nc3ccccc3c(NCCc3ccccn3)n2)cs1 ZINC000024094115 563991845 /nfs/dbraw/zinc/99/18/45/563991845.db2.gz BKNLTFZXQDXOOX-UHFFFAOYSA-N 0 0 332.432 4.408 50 0 EIAARN CCOC(=O)c1csc(-n2nc(C(F)F)cc2-c2ccccc2)n1 ZINC000033435769 563992124 /nfs/dbraw/zinc/99/21/24/563992124.db2.gz ZKJNGTKCEOGZQX-UHFFFAOYSA-N 0 0 349.362 4.110 50 0 EIAARN O=C(/C=C\c1ccc(Br)cc1)NCCCc1ccccc1 ZINC000033456563 563992212 /nfs/dbraw/zinc/99/22/12/563992212.db2.gz XXRGRPRXPWACHE-RAXLEYEMSA-N 0 0 344.252 4.211 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)Cc1c(F)cccc1Cl ZINC000004900536 563992335 /nfs/dbraw/zinc/99/23/35/563992335.db2.gz VSJHKTOZQGLKTC-UHFFFAOYSA-N 0 0 345.805 4.420 50 0 EIAARN O=C(NC1CCCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000004928535 563992596 /nfs/dbraw/zinc/99/25/96/563992596.db2.gz MXJNDENMJDDPAL-UHFFFAOYSA-N 0 0 347.846 4.157 50 0 EIAARN CC(=O)Nc1cccc(C(=O)OCc2ccc(Cl)c(Cl)c2)c1 ZINC000004928036 563992597 /nfs/dbraw/zinc/99/25/97/563992597.db2.gz JFLXQAIEBGOAPS-UHFFFAOYSA-N 0 0 338.190 4.309 50 0 EIAARN Cc1ccc2oc(=O)c3cc(C(=O)N4CCC(C)CC4)sc3c2c1 ZINC000004939301 563992648 /nfs/dbraw/zinc/99/26/48/563992648.db2.gz BNFGMOHLYXXCDM-UHFFFAOYSA-N 0 0 341.432 4.188 50 0 EIAARN CC(=O)CCCC(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 ZINC000408515606 563993025 /nfs/dbraw/zinc/99/30/25/563993025.db2.gz GWWUNJWAAAEZCM-UHFFFAOYSA-N 0 0 336.388 4.081 50 0 EIAARN COC(=O)c1cc(NC(=O)c2cc3ccccc3o2)ccc1Cl ZINC000004941445 563993120 /nfs/dbraw/zinc/99/31/20/563993120.db2.gz DYQBICQAVDUXQY-UHFFFAOYSA-N 0 0 329.739 4.125 50 0 EIAARN Cc1sc(C(=O)[O-])cc1C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000408521820 563993201 /nfs/dbraw/zinc/99/32/01/563993201.db2.gz KIUVEULBXKTGFZ-IAQYHMDHSA-N 0 0 333.428 4.272 50 0 EIAARN Cc1cccnc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004960720 563993435 /nfs/dbraw/zinc/99/34/35/563993435.db2.gz KEXCDOCNOCJDAJ-FQEVSTJZSA-N 0 0 329.403 4.157 50 0 EIAARN CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1C ZINC000004994995 563993709 /nfs/dbraw/zinc/99/37/09/563993709.db2.gz NDBWXJWPQHNXFI-UHFFFAOYSA-N 0 0 348.446 4.397 50 0 EIAARN Cc1noc(C)c1CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000004997093 563993747 /nfs/dbraw/zinc/99/37/47/563993747.db2.gz OGIKYZFAJZRKRS-UHFFFAOYSA-N 0 0 326.381 4.115 50 0 EIAARN Cc1cc(C)cc(C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2C)c1 ZINC000100577831 563993882 /nfs/dbraw/zinc/99/38/82/563993882.db2.gz FJHHMJBLNFJIIM-KSSFIOAISA-N 0 0 341.838 4.325 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1ccc(F)cc1 ZINC000005033610 563993917 /nfs/dbraw/zinc/99/39/17/563993917.db2.gz BAMOMDRZBZWAAV-UHFFFAOYSA-N 0 0 345.418 4.284 50 0 EIAARN O=C(Nc1ncc(Cc2ccccc2)s1)C1=Cc2ccccc2OC1 ZINC000005034339 563993919 /nfs/dbraw/zinc/99/39/19/563993919.db2.gz UWUDDBMXEKROCH-UHFFFAOYSA-N 0 0 348.427 4.148 50 0 EIAARN CCn1c(C(=O)NCc2ccc(OC)cc2)cc2sc(Cl)cc21 ZINC000005036589 563993950 /nfs/dbraw/zinc/99/39/50/563993950.db2.gz FLPCXOLECNEQCK-UHFFFAOYSA-N 0 0 348.855 4.315 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)C1 ZINC000005050429 563994078 /nfs/dbraw/zinc/99/40/78/563994078.db2.gz WSAFNTHFNJGKHE-STQMWFEESA-N 0 0 327.449 4.426 50 0 EIAARN C[C@H]1CCc2c(C(=O)NCCc3ccc(Cl)cc3)csc2C1 ZINC000005070172 563994130 /nfs/dbraw/zinc/99/41/30/563994130.db2.gz LSNMQFZCCJZERI-LBPRGKRZSA-N 0 0 333.884 4.499 50 0 EIAARN COc1ccc(CCNC(=O)[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1OC ZINC000033776830 563994265 /nfs/dbraw/zinc/99/42/65/563994265.db2.gz UAUBDALLXPVFIX-KBAYOESNSA-N 0 0 347.499 4.071 50 0 EIAARN Cc1csc(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)n1 ZINC000005101547 563994343 /nfs/dbraw/zinc/99/43/43/563994343.db2.gz MUQFAYSPHMVKIF-SWLSCSKDSA-N 0 0 332.494 4.126 50 0 EIAARN Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005103969 563994386 /nfs/dbraw/zinc/99/43/86/563994386.db2.gz IUUYBPLUVNWKLO-UHFFFAOYSA-N 0 0 339.435 4.396 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)Nc2csc3c2CCCC3)c1 ZINC000005137728 563994601 /nfs/dbraw/zinc/99/46/01/563994601.db2.gz NWTGGBDDIXBICR-UHFFFAOYSA-N 0 0 344.436 4.448 50 0 EIAARN Cn1c(C(=O)NCCCc2ccccc2)cc2oc3ccccc3c21 ZINC000005149847 563994674 /nfs/dbraw/zinc/99/46/74/563994674.db2.gz MXUGNVHONSCTAD-UHFFFAOYSA-N 0 0 332.403 4.287 50 0 EIAARN C[C@H]1CN(c2ncnc3cc(-c4ccc(F)cc4)sc32)C[C@H](C)O1 ZINC000007987105 563994731 /nfs/dbraw/zinc/99/47/31/563994731.db2.gz KZDNSUVRNXDLIR-RYUDHWBXSA-N 0 0 343.427 4.111 50 0 EIAARN C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1 ZINC000011903086 563995406 /nfs/dbraw/zinc/99/54/06/563995406.db2.gz QYAHCTYPAYSEEB-AWEZNQCLSA-N 0 0 335.432 4.263 50 0 EIAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1 ZINC000011914507 563995452 /nfs/dbraw/zinc/99/54/52/563995452.db2.gz ZQIXELPTGIDHSP-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN CCOc1cccc(C(=O)N(Cc2cccs2)c2ccccn2)c1 ZINC000011917377 563995496 /nfs/dbraw/zinc/99/54/96/563995496.db2.gz IADCCSGMJBYREZ-UHFFFAOYSA-N 0 0 338.432 4.389 50 0 EIAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000248246576 563995606 /nfs/dbraw/zinc/99/56/06/563995606.db2.gz MKXGCYXVFZXYOM-BYNSBNAKSA-N 0 0 341.373 4.036 50 0 EIAARN Cc1c(C(=O)N2CCCCC[C@@H]2c2ccncc2)cnn1C(C)(C)C ZINC000044525279 563995694 /nfs/dbraw/zinc/99/56/94/563995694.db2.gz GNVOPIDCEDAQIZ-GOSISDBHSA-N 0 0 340.471 4.099 50 0 EIAARN Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000000151322 563996337 /nfs/dbraw/zinc/99/63/37/563996337.db2.gz QAMBWISRRFSUTJ-UHFFFAOYSA-N 0 0 341.461 4.391 50 0 EIAARN CC(C)n1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000179069185 563996889 /nfs/dbraw/zinc/99/68/89/563996889.db2.gz NELMUHYLEZKRQD-LJQANCHMSA-N 0 0 340.858 4.392 50 0 EIAARN Cc1cnccc1NC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000252480709 563997734 /nfs/dbraw/zinc/99/77/34/563997734.db2.gz CDWOFJQIMKXMFU-CYBMUJFWSA-N 0 0 331.366 4.080 50 0 EIAARN COc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)n1C ZINC000000422419 563998551 /nfs/dbraw/zinc/99/85/51/563998551.db2.gz IMAGHDVPHLGMJC-UHFFFAOYSA-N 0 0 345.855 4.436 50 0 EIAARN CCc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1 ZINC000000428178 563998878 /nfs/dbraw/zinc/99/88/78/563998878.db2.gz IOUXGBSDFNCGFB-UHFFFAOYSA-N 0 0 339.370 4.009 50 0 EIAARN CCOc1ccc(NC(=O)CSc2cn(C)c3ccccc23)cc1 ZINC000000425863 563999009 /nfs/dbraw/zinc/99/90/09/563999009.db2.gz NVMQGJQOGVKGPY-UHFFFAOYSA-N 0 0 340.448 4.308 50 0 EIAARN COc1ccc2ccccc2c1/C=C1/N=C(c2ccccc2F)OC1=O ZINC000000430207 563999360 /nfs/dbraw/zinc/99/93/60/563999360.db2.gz VQERYHQNKWPFOV-LDADJPATSA-N 0 0 347.345 4.332 50 0 EIAARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1cccnc1Cl ZINC000000431253 563999444 /nfs/dbraw/zinc/99/94/44/563999444.db2.gz LRHKMQIFYMMUDR-LFIBNONCSA-N 0 0 349.777 4.145 50 0 EIAARN CCCc1nc2ccccc2n1C[C@H](O)COc1c(C)cccc1C ZINC000000242851 564000127 /nfs/dbraw/zinc/00/01/27/564000127.db2.gz RSSIQJZZTLNSHR-KRWDZBQOSA-N 0 0 338.451 4.046 50 0 EIAARN Fc1ccccc1Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000000426360 564000221 /nfs/dbraw/zinc/00/02/21/564000221.db2.gz IAKNIVLIZXTOCB-UHFFFAOYSA-N 0 0 339.761 4.352 50 0 EIAARN COCc1c2ccccc2oc1C(=O)OCc1ccc(OC)c(F)c1 ZINC000005199763 564000395 /nfs/dbraw/zinc/00/03/95/564000395.db2.gz KNYVPAVOJQNWFG-UHFFFAOYSA-N 0 0 344.338 4.084 50 0 EIAARN CNc1nc2c(s1)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000061719523 564000443 /nfs/dbraw/zinc/00/04/43/564000443.db2.gz MOFGPAWNMRTHSK-QMMMGPOBSA-N 0 0 327.331 4.327 50 0 EIAARN CCn1c2ccccc2c(=O)c(-c2ccccc2Cl)c1NC(C)=O ZINC000005245966 564001528 /nfs/dbraw/zinc/00/15/28/564001528.db2.gz CSFHFTJVQBLDOH-UHFFFAOYSA-N 0 0 340.810 4.300 50 0 EIAARN Cc1cc(-c2csc(NC(=O)Cc3ccccc3F)n2)c(C)n1C ZINC000005262134 564001676 /nfs/dbraw/zinc/00/16/76/564001676.db2.gz HOKQFIHNJXWNJT-UHFFFAOYSA-N 0 0 343.427 4.086 50 0 EIAARN COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)nn1 ZINC000005259570 564001752 /nfs/dbraw/zinc/00/17/52/564001752.db2.gz AALUAXUOTXAKCX-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN Cc1ccn2cc(C(=O)OCc3ccc(Cl)cc3Cl)nc2c1 ZINC000005270732 564002281 /nfs/dbraw/zinc/00/22/81/564002281.db2.gz YYQZJZCDOLAXJX-UHFFFAOYSA-N 0 0 335.190 4.307 50 0 EIAARN O=C(CCOc1ccccc1-c1ccccc1)N1CCCSCC1 ZINC000061897244 564002360 /nfs/dbraw/zinc/00/23/60/564002360.db2.gz JXVGTHZSAVBINC-UHFFFAOYSA-N 0 0 341.476 4.088 50 0 EIAARN COC(=O)[C@@H](C)Sc1nc(-c2cccs2)nc2ccccc21 ZINC000005288131 564002451 /nfs/dbraw/zinc/00/24/51/564002451.db2.gz UHUXZDOWKJPESL-SNVBAGLBSA-N 0 0 330.434 4.012 50 0 EIAARN Cc1cccc(CC(=O)N(CCc2ccccc2)Cc2ccccn2)c1 ZINC000062017881 564002767 /nfs/dbraw/zinc/00/27/67/564002767.db2.gz XWCGQJIXQDQIEG-UHFFFAOYSA-N 0 0 344.458 4.204 50 0 EIAARN CCN(CC)c1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCC3 ZINC000005353506 564002863 /nfs/dbraw/zinc/00/28/63/564002863.db2.gz XZCUCFPERHRIEX-UHFFFAOYSA-N 0 0 338.455 4.304 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1 ZINC000005345886 564002951 /nfs/dbraw/zinc/00/29/51/564002951.db2.gz PMGVLKZFWNGLLL-UHFFFAOYSA-N 0 0 337.423 4.275 50 0 EIAARN O=C(Nc1cccc(OC(F)F)c1)c1ncc(-c2ccccc2)o1 ZINC000206585999 564003069 /nfs/dbraw/zinc/00/30/69/564003069.db2.gz XKTUZAZFYJFHCN-UHFFFAOYSA-N 0 0 330.290 4.195 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1)c1ncc(-c2ccc(F)cc2)o1 ZINC000206587627 564003074 /nfs/dbraw/zinc/00/30/74/564003074.db2.gz SFWBATFWSJKYAV-UHFFFAOYSA-N 0 0 344.773 4.107 50 0 EIAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000000175930 564003458 /nfs/dbraw/zinc/00/34/58/564003458.db2.gz MUEJIPMUQXCYNL-HXUWFJFHSA-N 0 0 330.387 4.466 50 0 EIAARN COc1cccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OC ZINC000005445704 564004060 /nfs/dbraw/zinc/00/40/60/564004060.db2.gz MNWVJYSOXHRMMQ-JHMRYYBSSA-N 0 0 343.467 4.039 50 0 EIAARN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000005460981 564004417 /nfs/dbraw/zinc/00/44/17/564004417.db2.gz LWAMQDPMFXZCIC-UHFFFAOYSA-N 0 0 331.799 4.028 50 0 EIAARN CC[C@H](C(=O)Nc1sc(C)c(C)c1C(=O)OC)c1ccccc1 ZINC000005476426 564004502 /nfs/dbraw/zinc/00/45/02/564004502.db2.gz XZAVKDZCYZDJQW-AWEZNQCLSA-N 0 0 331.437 4.284 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1OC(F)F ZINC000005512266 564004880 /nfs/dbraw/zinc/00/48/80/564004880.db2.gz ULGHOYXKRPBSFN-UHFFFAOYSA-N 0 0 330.334 4.341 50 0 EIAARN COc1ccccc1OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000005515220 564004930 /nfs/dbraw/zinc/00/49/30/564004930.db2.gz QAKFZKANPRNJHV-UHFFFAOYSA-N 0 0 333.387 4.380 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005556492 564005319 /nfs/dbraw/zinc/00/53/19/564005319.db2.gz SDSILJUOFGDETE-UHFFFAOYSA-N 0 0 326.440 4.190 50 0 EIAARN Cc1nn2c(nc(C)cc2N2C[C@@H](C)C[C@H](C)C2)c1-c1ccccc1 ZINC000005576344 564005803 /nfs/dbraw/zinc/00/58/03/564005803.db2.gz DZDMZEUZRUVVJW-GJZGRUSLSA-N 0 0 334.467 4.495 50 0 EIAARN Cc1cc(C)c(NC(=O)c2n[nH]nc2-c2cccc(Cl)c2)c(C)c1 ZINC000206652865 564005807 /nfs/dbraw/zinc/00/58/07/564005807.db2.gz NOLUITQKQSFHKA-UHFFFAOYSA-N 0 0 340.814 4.303 50 0 EIAARN CC[C@H]1CCCCN1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000005576867 564005831 /nfs/dbraw/zinc/00/58/31/564005831.db2.gz GYQFKZYCWSMGAE-HNNXBMFYSA-N 0 0 347.846 4.114 50 0 EIAARN COc1cc(NC(=O)c2ccc3ccccc3c2)cc(OC)c1OC ZINC000005577490 564005835 /nfs/dbraw/zinc/00/58/35/564005835.db2.gz CVEIEBOERNEHGJ-UHFFFAOYSA-N 0 0 337.375 4.118 50 0 EIAARN Cc1cc2oc(-c3ccco3)c(OCCOC(C)C)c(=O)c2cc1C ZINC000005580550 564005855 /nfs/dbraw/zinc/00/58/55/564005855.db2.gz VAHKSRGGNUJXNG-UHFFFAOYSA-N 0 0 342.391 4.474 50 0 EIAARN COC(=O)CSc1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000005586640 564006122 /nfs/dbraw/zinc/00/61/22/564006122.db2.gz SBEIELNCRCHCII-JXMROGBWSA-N 0 0 338.432 4.015 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1cccc(F)c1 ZINC000024353691 564007134 /nfs/dbraw/zinc/00/71/34/564007134.db2.gz NVLVWJAEQDDQFZ-LLVKDONJSA-N 0 0 341.411 4.144 50 0 EIAARN CCCOc1ccccc1O[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000008746163 564007150 /nfs/dbraw/zinc/00/71/50/564007150.db2.gz PQQQAPBJIOOFGT-MRXNPFEDSA-N 0 0 327.424 4.498 50 0 EIAARN CN(C(=O)CCc1ccsc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273333044 564007735 /nfs/dbraw/zinc/00/77/35/564007735.db2.gz URFXUYYOTCQXDW-MSOLQXFVSA-N 0 0 347.455 4.199 50 0 EIAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC=C(F)C2)c1 ZINC000274680275 564008315 /nfs/dbraw/zinc/00/83/15/564008315.db2.gz WPUDCPQOMOZPDP-UHFFFAOYSA-N 0 0 339.798 4.170 50 0 EIAARN C[C@@H](CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000017796284 564013034 /nfs/dbraw/zinc/01/30/34/564013034.db2.gz DURBBTVUYBLPOW-IRXDYDNUSA-N 0 0 333.435 4.243 50 0 EIAARN CN(C)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000017917044 564013270 /nfs/dbraw/zinc/01/32/70/564013270.db2.gz PWSXVZNMMAUTEF-UHFFFAOYSA-N 0 0 337.250 4.332 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000003562142 564013690 /nfs/dbraw/zinc/01/36/90/564013690.db2.gz ZCCNCDNHHAOVRS-UHFFFAOYSA-N 0 0 348.240 4.337 50 0 EIAARN O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1cc2ccccc2o1 ZINC000585148337 564014754 /nfs/dbraw/zinc/01/47/54/564014754.db2.gz ZYPKYDDCXHHLQG-KRWDZBQOSA-N 0 0 347.370 4.156 50 0 EIAARN O=C(Cc1noc(-c2ccc(Cl)cc2)n1)Nc1ccccc1Cl ZINC000016579752 564014881 /nfs/dbraw/zinc/01/48/81/564014881.db2.gz GFUHJMZQFPTCLO-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN COCCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000189441442 564015280 /nfs/dbraw/zinc/01/52/80/564015280.db2.gz KMQQESMTVPYWGZ-FQEVSTJZSA-N 0 0 338.451 4.018 50 0 EIAARN CC(=O)Nc1ccc(SCC(=O)c2ccc(Cl)s2)cc1 ZINC000007028484 564015289 /nfs/dbraw/zinc/01/52/89/564015289.db2.gz ZPLMRJBCEOGBPF-UHFFFAOYSA-N 0 0 325.842 4.335 50 0 EIAARN COc1ccc([C@H]2CCCCN(C(=O)NCc3cccs3)C2)cc1 ZINC000206886869 564015337 /nfs/dbraw/zinc/01/53/37/564015337.db2.gz FXFPGSNDCAFMBX-INIZCTEOSA-N 0 0 344.480 4.236 50 0 EIAARN CSc1ncccc1C(=O)N1CCS[C@H](c2ccccc2)CC1 ZINC000206989062 564015930 /nfs/dbraw/zinc/01/59/30/564015930.db2.gz IQNYRLCWNNDNKD-INIZCTEOSA-N 0 0 344.505 4.124 50 0 EIAARN CC/C=C(\C)C(=O)N(CC)[C@H](c1ccc(OC)cc1)c1cccnc1 ZINC000098009993 564016877 /nfs/dbraw/zinc/01/68/77/564016877.db2.gz IWWIJSGREJPBCB-MOWFPQLSSA-N 0 0 338.451 4.384 50 0 EIAARN Cc1occc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000000484327 564016914 /nfs/dbraw/zinc/01/69/14/564016914.db2.gz AGUFDFFXNXVBKW-UHFFFAOYSA-N 0 0 347.436 4.346 50 0 EIAARN COc1ccc(CNc2ncnc3c4cc(C)ccc4[nH]c32)cc1OC ZINC000000488563 564017384 /nfs/dbraw/zinc/01/73/84/564017384.db2.gz KOKDFKBSCRDRPE-UHFFFAOYSA-N 0 0 348.406 4.049 50 0 biogenic EIAARN C[C@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2ccc(F)cc2)on1 ZINC000011693139 564017792 /nfs/dbraw/zinc/01/77/92/564017792.db2.gz ZMVMGKWOBFGDGO-ZDUSSCGKSA-N 0 0 336.366 4.001 50 0 EIAARN CC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000005677583 564018117 /nfs/dbraw/zinc/01/81/17/564018117.db2.gz CKUNPKXFBWMFQG-UHFFFAOYSA-N 0 0 336.416 4.194 50 0 EIAARN COc1cc2ccccc2cc1C(=O)NCc1cccc(Cl)c1 ZINC000005679458 564018260 /nfs/dbraw/zinc/01/82/60/564018260.db2.gz CBVMLSLFSFJBOD-UHFFFAOYSA-N 0 0 325.795 4.432 50 0 EIAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000018124795 564018309 /nfs/dbraw/zinc/01/83/09/564018309.db2.gz JBHBPOVBASQXME-HNNXBMFYSA-N 0 0 348.402 4.365 50 0 EIAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2ccccc2c1 ZINC000000500043 564018491 /nfs/dbraw/zinc/01/84/91/564018491.db2.gz QRJLYXJVAKTYAL-IBGZPJMESA-N 0 0 335.359 4.138 50 0 EIAARN CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000005682203 564018574 /nfs/dbraw/zinc/01/85/74/564018574.db2.gz RHZVYFJJRYCVMK-OXQOHEQNSA-N 0 0 339.435 4.307 50 0 EIAARN Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000018193370 564018643 /nfs/dbraw/zinc/01/86/43/564018643.db2.gz MRGSBEJAJLOWDG-UHFFFAOYSA-N 0 0 325.799 4.015 50 0 EIAARN CC[C@]1(C)Cc2c(sc3nc(SC)nc(SC)c23)CO1 ZINC000000506359 564019513 /nfs/dbraw/zinc/01/95/13/564019513.db2.gz DXVJYLLAZAQHNQ-CQSZACIVSA-N 0 0 326.512 4.377 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N1CCN=C1S2 ZINC000000503717 564019233 /nfs/dbraw/zinc/01/92/33/564019233.db2.gz STTWKFOLQDODCV-UHFFFAOYSA-N 0 0 344.827 4.266 50 0 EIAARN O=C1[C@@H]2[C@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1ccccc1Cl ZINC000101137285 564019240 /nfs/dbraw/zinc/01/92/40/564019240.db2.gz OCGIXRYPQDPEGM-LTCOOKNTSA-N 0 0 341.838 4.356 50 0 EIAARN CC(C)(C)C(=O)Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000000503800 564019246 /nfs/dbraw/zinc/01/92/46/564019246.db2.gz RVPRDXUQZPVHBY-UHFFFAOYSA-N 0 0 332.407 4.190 50 0 EIAARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCC1=CCCCC1 ZINC000000506206 564019528 /nfs/dbraw/zinc/01/95/28/564019528.db2.gz VYZXVDMUEFMXBW-UHFFFAOYSA-N 0 0 327.815 4.422 50 0 EIAARN Cc1cc(OCC(=O)NC(C)(C)C)c(C(C)C)cc1Br ZINC000000510190 564020086 /nfs/dbraw/zinc/02/00/86/564020086.db2.gz BVHMMTPZCLMRAZ-UHFFFAOYSA-N 0 0 342.277 4.174 50 0 EIAARN CC(=O)c1cn(CCC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc12 ZINC000040309929 564020947 /nfs/dbraw/zinc/02/09/47/564020947.db2.gz LJMBHAYMDJQALT-UHFFFAOYSA-N 0 0 345.402 4.354 50 0 biogenic EIAARN CCCn1nc(NC(=O)c2ccccc2)c2cc3ccccc3nc21 ZINC000000527061 564021265 /nfs/dbraw/zinc/02/12/65/564021265.db2.gz YYBWGMKTBPLHPP-UHFFFAOYSA-N 0 0 330.391 4.247 50 0 EIAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2)cc1 ZINC000000528200 564021344 /nfs/dbraw/zinc/02/13/44/564021344.db2.gz VYXMYKLGALMOPK-MOPGFXCFSA-N 0 0 334.423 4.132 50 0 EIAARN COc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000000533448 564022008 /nfs/dbraw/zinc/02/20/08/564022008.db2.gz DFWTZRRIVNVWEW-IAGOWNOFSA-N 0 0 340.814 4.086 50 0 EIAARN Cc1ccccc1-c1nc2nc3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000000542382 564022441 /nfs/dbraw/zinc/02/24/41/564022441.db2.gz LCAYOERPBCHEAT-HNNXBMFYSA-N 0 0 344.418 4.134 50 0 EIAARN Cc1cccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)c1 ZINC000000541703 564022504 /nfs/dbraw/zinc/02/25/04/564022504.db2.gz NYFNEODJTNPUTQ-MRXNPFEDSA-N 0 0 344.418 4.134 50 0 EIAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc2ncccc21 ZINC000000551405 564022987 /nfs/dbraw/zinc/02/29/87/564022987.db2.gz UELWVDUFKVNEPA-UHFFFAOYSA-N 0 0 343.169 4.342 50 0 EIAARN NC(=O)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000046720173 564023005 /nfs/dbraw/zinc/02/30/05/564023005.db2.gz AKCQNYRWFLWHBM-UHFFFAOYSA-N 0 0 347.399 4.250 50 0 EIAARN Cc1ccc([C@]2(CC(=O)N3CCCCC3)CCO[C@@H](C(C)C)C2)cc1 ZINC000000554179 564023054 /nfs/dbraw/zinc/02/30/54/564023054.db2.gz ATVIILYCGCSENE-IFMALSPDSA-N 0 0 343.511 4.470 50 0 EIAARN O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1ccc(SC(F)F)cc1 ZINC000103704851 564023131 /nfs/dbraw/zinc/02/31/31/564023131.db2.gz RHMDPWYWFIDUNR-ZDUSSCGKSA-N 0 0 348.374 4.066 50 0 EIAARN CCC(=O)c1cn(CC(=O)Nc2ccc(C)cc2C)c2ccccc12 ZINC000000560811 564023266 /nfs/dbraw/zinc/02/32/66/564023266.db2.gz UFEFEFPCPWBNCH-UHFFFAOYSA-N 0 0 334.419 4.490 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1C ZINC000000569684 564023498 /nfs/dbraw/zinc/02/34/98/564023498.db2.gz NFKRBFOMSNKZNE-UHFFFAOYSA-N 0 0 338.451 4.311 50 0 EIAARN Cc1ccc(-c2ncc(NC(=O)c3ccc(Cl)s3)cn2)cc1 ZINC000097938525 564023795 /nfs/dbraw/zinc/02/37/95/564023795.db2.gz NMUHETPVCAZOOX-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1ccc(C)c(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000015218745 564024096 /nfs/dbraw/zinc/02/40/96/564024096.db2.gz ZMIHSOOZRLVCNT-UHFFFAOYSA-N 0 0 332.329 4.024 50 0 EIAARN Cc1nc(CN[C@H](Cc2ccccc2Cl)c2ccccc2)no1 ZINC000181598273 564024205 /nfs/dbraw/zinc/02/42/05/564024205.db2.gz QYILMSLXJXAJFW-QGZVFWFLSA-N 0 0 327.815 4.105 50 0 EIAARN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2O)C3=O)cc1 ZINC000000579003 564024332 /nfs/dbraw/zinc/02/43/32/564024332.db2.gz 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O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000045315632 564028378 /nfs/dbraw/zinc/02/83/78/564028378.db2.gz ISDYTSJOLOBXID-UHFFFAOYSA-N 0 0 347.436 4.064 50 0 EIAARN O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000005754533 564028857 /nfs/dbraw/zinc/02/88/57/564028857.db2.gz MYCNWODVTPCZOD-UHFFFAOYSA-N 0 0 331.343 4.445 50 0 EIAARN Cc1ccc(NC(=O)NCc2ccc(OCc3cccnc3)cc2)cc1 ZINC000045951965 564028993 /nfs/dbraw/zinc/02/89/93/564028993.db2.gz UGUXZYRMSDWWOB-UHFFFAOYSA-N 0 0 347.418 4.291 50 0 EIAARN COc1cc(C)c(NC(=O)c2cc3c(cc2C)OCCCO3)cc1C ZINC000046077758 564029443 /nfs/dbraw/zinc/02/94/43/564029443.db2.gz GWCVCACQCPMMGL-UHFFFAOYSA-N 0 0 341.407 4.034 50 0 EIAARN CC[C@@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1ccccc1 ZINC000046078098 564029475 /nfs/dbraw/zinc/02/94/75/564029475.db2.gz OHBNTJXASHUQJQ-QGZVFWFLSA-N 0 0 327.819 4.053 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)OC(C)(C)C(=O)N3)c(C)c1 ZINC000046089259 564029575 /nfs/dbraw/zinc/02/95/75/564029575.db2.gz UUFWSHINMRXDIK-UHFFFAOYSA-N 0 0 339.395 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ZINC000008279395 564035100 /nfs/dbraw/zinc/03/51/00/564035100.db2.gz AUEKLLNGKZMPLZ-SNVBAGLBSA-N 0 0 332.375 4.408 50 0 EIAARN CCCOC(=O)c1cc(Br)ccc1NC(=O)[C@H](C)CC ZINC000058154683 564035519 /nfs/dbraw/zinc/03/55/19/564035519.db2.gz NRNUNTRHVYYPFH-SNVBAGLBSA-N 0 0 342.233 4.001 50 0 EIAARN Cc1[nH]c2ccc(C(=O)Nc3cccc(-c4nnco4)c3)cc2c1C ZINC000024697557 564036671 /nfs/dbraw/zinc/03/66/71/564036671.db2.gz FBNDNVSGJQBSPQ-UHFFFAOYSA-N 0 0 332.363 4.087 50 0 EIAARN COc1ccc(C)cc1C(=O)CCC(=O)Nc1cc(C)cc(C)c1 ZINC000024977390 564036908 /nfs/dbraw/zinc/03/69/08/564036908.db2.gz DSGZVISJSJPVCN-UHFFFAOYSA-N 0 0 325.408 4.222 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H]2c2ccsc2)c1C ZINC000040154231 564045523 /nfs/dbraw/zinc/04/55/23/564045523.db2.gz INIZFICLLUGPQC-CZUORRHYSA-N 0 0 344.480 4.304 50 0 EIAARN FC(F)(F)[C@H](NCc1ccnc(OCC2CC2)c1)c1ccccc1 ZINC000225573855 564047911 /nfs/dbraw/zinc/04/79/11/564047911.db2.gz BJIBQJZRQAJCJE-QGZVFWFLSA-N 0 0 336.357 4.264 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1Cl)CC3 ZINC000012390763 564050046 /nfs/dbraw/zinc/05/00/46/564050046.db2.gz DPCVDKSWTXGPRM-UHFFFAOYSA-N 0 0 340.810 4.028 50 0 EIAARN COC(=O)C(C)(C)c1ccc(NC(=O)N2CCCC(C)(C)CC2)cc1 ZINC000095962301 564051223 /nfs/dbraw/zinc/05/12/23/564051223.db2.gz AUWHWNBVZGSWRT-UHFFFAOYSA-N 0 0 346.471 4.181 50 0 EIAARN Cc1cc(C)n(CCN(C)C(=O)c2ccc(-c3ccsc3)cc2)n1 ZINC000426634163 564051421 /nfs/dbraw/zinc/05/14/21/564051421.db2.gz JQPPCWFZWCDANW-UHFFFAOYSA-N 0 0 339.464 4.001 50 0 EIAARN CSc1cccc(F)c1C(=O)N[C@@H](C)c1nc(C2CCCC2)no1 ZINC000241409041 564052014 /nfs/dbraw/zinc/05/20/14/564052014.db2.gz NEAYVXZKUFPWKP-JTQLQIEISA-N 0 0 349.431 4.079 50 0 EIAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cccs1 ZINC000005796851 564052191 /nfs/dbraw/zinc/05/21/91/564052191.db2.gz IGNPKVNRMUPIIF-UHFFFAOYSA-N 0 0 337.466 4.437 50 0 EIAARN O=C(CSC12CC3CC(CC(C3)C1)C2)NCc1ccc(F)cc1 ZINC000018758630 564052606 /nfs/dbraw/zinc/05/26/06/564052606.db2.gz YZKGABDGVLAUJZ-UHFFFAOYSA-N 0 0 333.472 4.144 50 0 EIAARN O[C@]1(c2ccccc2)CC[C@@H](c2ccccc2)[C@]1(O)c1ccccc1 ZINC000248070125 564052935 /nfs/dbraw/zinc/05/29/35/564052935.db2.gz XQYDCDIWHVZGRN-RJGXRXQPSA-N 0 0 330.427 4.340 50 0 EIAARN Cc1ccc2[nH]c(CN3CCC(c4nccn4C(C)C)CC3)nc2c1 ZINC000252490709 564053450 /nfs/dbraw/zinc/05/34/50/564053450.db2.gz KZJXPMKJMUMISX-UHFFFAOYSA-N 0 0 337.471 4.028 50 0 EIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)/C=C/c1ccco1 ZINC000000999859 564053922 /nfs/dbraw/zinc/05/39/22/564053922.db2.gz JZLXLLAJYQSCTR-ZHACJKMWSA-N 0 0 335.407 4.102 50 0 EIAARN O=C1/C(=C\c2cccs2)N=C(c2ccccc2)N1Nc1ccccc1 ZINC000001000398 564053967 /nfs/dbraw/zinc/05/39/67/564053967.db2.gz YUMXBCANBZNTAX-NBVRZTHBSA-N 0 0 345.427 4.405 50 0 EIAARN CCc1c(C)scc1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000001009294 564054059 /nfs/dbraw/zinc/05/40/59/564054059.db2.gz MPCADEBXUYVTOV-UHFFFAOYSA-N 0 0 342.508 4.198 50 0 EIAARN CC(C)c1noc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000025461163 564054456 /nfs/dbraw/zinc/05/44/56/564054456.db2.gz YDBKQVLHMDIBOQ-IBGZPJMESA-N 0 0 333.435 4.341 50 0 EIAARN O=C(NCC1(c2cccc(F)c2)CCCCC1)c1cc(C2CC2)on1 ZINC000063082208 564056122 /nfs/dbraw/zinc/05/61/22/564056122.db2.gz HGYMTGCUFKPPBP-UHFFFAOYSA-N 0 0 342.414 4.323 50 0 EIAARN Fc1cc(OC(F)(F)F)cc(Br)c1Br ZINC000263623819 564056469 /nfs/dbraw/zinc/05/64/69/564056469.db2.gz KZKXLGNHRNIASW-UHFFFAOYSA-N 0 0 337.892 4.249 50 0 EIAARN CCc1cccc(C)c1NC(=O)COC(=O)[C@@H](CC)c1ccccc1 ZINC000005836799 564056589 /nfs/dbraw/zinc/05/65/89/564056589.db2.gz YDARBTWNOXKQKP-SFHVURJKSA-N 0 0 339.435 4.233 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000005938643 564057107 /nfs/dbraw/zinc/05/71/07/564057107.db2.gz SKXCPWGGHRFPHU-UHFFFAOYSA-N 0 0 328.437 4.228 50 0 EIAARN COC(=O)c1ccccc1NC(=S)Nc1ccc(C(C)C)cc1 ZINC000005944970 564057265 /nfs/dbraw/zinc/05/72/65/564057265.db2.gz SQJSWUQUXWBKBP-UHFFFAOYSA-N 0 0 328.437 4.406 50 0 EIAARN O=C(CSc1cccc2cccnc21)NCCCc1ccccc1 ZINC000005980564 564057396 /nfs/dbraw/zinc/05/73/96/564057396.db2.gz PNZSIIHPMDGQBI-UHFFFAOYSA-N 0 0 336.460 4.076 50 0 EIAARN Cc1cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)nc(C(C)C)n1 ZINC000063440997 564057478 /nfs/dbraw/zinc/05/74/78/564057478.db2.gz DLFBMJAVGWVRID-UHFFFAOYSA-N 0 0 349.434 4.325 50 0 EIAARN O=C(OCc1nnc(C2CC2)o1)c1cc2c(s1)CCCCCC2 ZINC000063499656 564057658 /nfs/dbraw/zinc/05/76/58/564057658.db2.gz WMGRSKDIKUOAOR-UHFFFAOYSA-N 0 0 332.425 4.025 50 0 EIAARN C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(F)cc1 ZINC000006035561 564057753 /nfs/dbraw/zinc/05/77/53/564057753.db2.gz AEVOJSFFSANDMZ-JTQLQIEISA-N 0 0 344.367 4.458 50 0 EIAARN Cc1ccc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)cc1F ZINC000003895683 564057891 /nfs/dbraw/zinc/05/78/91/564057891.db2.gz LWYOODDIEAGQFQ-LEHRNKBSSA-N 0 0 348.462 4.040 50 0 EIAARN C[C@H](Sc1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012527105 564058183 /nfs/dbraw/zinc/05/81/83/564058183.db2.gz JZFPJBUQMPGFEG-JTQLQIEISA-N 0 0 342.342 4.100 50 0 EIAARN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccccc1 ZINC000012531702 564058253 /nfs/dbraw/zinc/05/82/53/564058253.db2.gz UCLUUNWEBWNLLJ-UHFFFAOYSA-N 0 0 341.414 4.266 50 0 EIAARN CCc1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1 ZINC000003216048 564058502 /nfs/dbraw/zinc/05/85/02/564058502.db2.gz DGMXJFAURUWPCY-UHFFFAOYSA-N 0 0 325.393 4.145 50 0 EIAARN Cc1cc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc2ccccc12 ZINC000012542032 564058678 /nfs/dbraw/zinc/05/86/78/564058678.db2.gz JDSBVMJNOQQRCC-ZIAGYGMSSA-N 0 0 328.481 4.140 50 0 EIAARN CC(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000003273311 564058898 /nfs/dbraw/zinc/05/88/98/564058898.db2.gz PRBLZCVYLJSEPU-SFHVURJKSA-N 0 0 345.826 4.125 50 0 EIAARN C[C@H]1CCCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000003283471 564058982 /nfs/dbraw/zinc/05/89/82/564058982.db2.gz UNDWBEVAWGGZFA-ZDUSSCGKSA-N 0 0 339.464 4.026 50 0 EIAARN COc1ccccc1Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000003350735 564059411 /nfs/dbraw/zinc/05/94/11/564059411.db2.gz PXEDVAOJKITUGS-UHFFFAOYSA-N 0 0 326.377 4.291 50 0 EIAARN O=C(CCC(=O)N1CC=C(c2ccccc2)CC1)c1cccs1 ZINC000003443712 564059669 /nfs/dbraw/zinc/05/96/69/564059669.db2.gz SEWSEKIQIBVYLE-UHFFFAOYSA-N 0 0 325.433 4.027 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2c(s1)CCC2 ZINC000012567657 564059761 /nfs/dbraw/zinc/05/97/61/564059761.db2.gz PUKJWOUVUYJFMA-UHFFFAOYSA-N 0 0 334.444 4.480 50 0 EIAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1 ZINC000003525655 564059906 /nfs/dbraw/zinc/05/99/06/564059906.db2.gz BLEOZWZLONYHMM-UHFFFAOYSA-N 0 0 345.807 4.350 50 0 EIAARN O=C(Nc1nnc(-c2ccco2)s1)c1cccc(C(F)(F)F)c1 ZINC000012578662 564059985 /nfs/dbraw/zinc/05/99/85/564059985.db2.gz COCRGHQGWKBZME-UHFFFAOYSA-N 0 0 339.298 4.069 50 0 EIAARN CCOC(=O)C[C@@H](NC(=O)c1ccccc1C)c1ccccc1Cl ZINC000003627309 564060097 /nfs/dbraw/zinc/06/00/97/564060097.db2.gz XGSIMTSKONAKOZ-QGZVFWFLSA-N 0 0 345.826 4.073 50 0 EIAARN Cc1cccc(N2CCN(Cc3cc(-c4ccccc4)no3)CC2)c1C ZINC000012592999 564060266 /nfs/dbraw/zinc/06/02/66/564060266.db2.gz VXCFBVNQHBMVQD-UHFFFAOYSA-N 0 0 347.462 4.281 50 0 EIAARN CCCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 ZINC000003893232 564060286 /nfs/dbraw/zinc/06/02/86/564060286.db2.gz STIDRODZRFWFTF-UHFFFAOYSA-N 0 0 329.469 4.365 50 0 EIAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1F ZINC000012607254 564060507 /nfs/dbraw/zinc/06/05/07/564060507.db2.gz CLHSSWLBZHUNMM-UHFFFAOYSA-N 0 0 340.320 4.092 50 0 EIAARN CCOc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)o1 ZINC000012619192 564060686 /nfs/dbraw/zinc/06/06/86/564060686.db2.gz JHUQHFKOXCSHAN-UHFFFAOYSA-N 0 0 342.420 4.040 50 0 EIAARN Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000012618225 564060693 /nfs/dbraw/zinc/06/06/93/564060693.db2.gz BZHNSHYCQMIETA-UHFFFAOYSA-N 0 0 335.382 4.061 50 0 EIAARN Cc1cc(NC(=O)N(C)Cc2ccncc2C)n(C2CCCCC2)n1 ZINC000299763782 564060707 /nfs/dbraw/zinc/06/07/07/564060707.db2.gz RUXKJMDQGJNIPU-UHFFFAOYSA-N 0 0 341.459 4.064 50 0 EIAARN CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000299774646 564060822 /nfs/dbraw/zinc/06/08/22/564060822.db2.gz IMMCRYNHROKJRJ-MRXNPFEDSA-N 0 0 345.468 4.233 50 0 EIAARN CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2cn(C)nc2C)cc1 ZINC000534590638 564061219 /nfs/dbraw/zinc/06/12/19/564061219.db2.gz BRZDJSIKEAJQPK-HXUWFJFHSA-N 0 0 348.450 4.014 50 0 EIAARN CC[C@H](NC(=O)N(Cc1ccsc1)CC(C)C)c1cccnc1 ZINC000534653824 564061442 /nfs/dbraw/zinc/06/14/42/564061442.db2.gz SGIQBPGVXVQFDE-KRWDZBQOSA-N 0 0 331.485 4.462 50 0 EIAARN CC(C)c1nnc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)s1 ZINC000263587750 564061879 /nfs/dbraw/zinc/06/18/79/564061879.db2.gz KURGISGDMNUANV-ZDUSSCGKSA-N 0 0 346.481 4.143 50 0 EIAARN O=C(COc1ccccc1-c1ccccc1)Nc1cccnc1Cl ZINC000078523328 564062025 /nfs/dbraw/zinc/06/20/25/564062025.db2.gz IGTJMYLJSUYFKB-UHFFFAOYSA-N 0 0 338.794 4.420 50 0 EIAARN O=C(Nc1n[nH]c(-c2ccccc2)n1)c1cc(Cl)ccc1Cl ZINC000012685147 564062644 /nfs/dbraw/zinc/06/26/44/564062644.db2.gz UDQYBHXFGYIAIA-UHFFFAOYSA-N 0 0 333.178 4.031 50 0 EIAARN O=C(Nc1ccccc1Cl)N[C@H](c1cccnc1)C1CCOCC1 ZINC000225623387 564063048 /nfs/dbraw/zinc/06/30/48/564063048.db2.gz PAIZDVHLLZCXCP-KRWDZBQOSA-N 0 0 345.830 4.024 50 0 EIAARN CCOc1ccc(OCC)c(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)c1 ZINC000025734485 564063073 /nfs/dbraw/zinc/06/30/73/564063073.db2.gz NWZPXSVJZIZUIE-DGCLKSJQSA-N 0 0 346.452 4.202 50 0 EIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1nc2ccccc2s1 ZINC000004134629 564063315 /nfs/dbraw/zinc/06/33/15/564063315.db2.gz ZXXVYDWKKWMFAN-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN CCn1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c2ccccc21 ZINC000083843366 564063580 /nfs/dbraw/zinc/06/35/80/564063580.db2.gz MUJGQCMOPAREEN-IERDGZPVSA-N 0 0 348.446 4.263 50 0 EIAARN COc1ccc(C(=O)CSc2nc(-c3ccccc3)ns2)cc1 ZINC000004167315 564063788 /nfs/dbraw/zinc/06/37/88/564063788.db2.gz PTFWLVUDGLOMSR-UHFFFAOYSA-N 0 0 342.445 4.189 50 0 EIAARN Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1C ZINC000032171026 564063811 /nfs/dbraw/zinc/06/38/11/564063811.db2.gz BZEUDUVPCWQMBC-GZTJUZNOSA-N 0 0 338.432 4.409 50 0 EIAARN CN(C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)C1CCCCCC1 ZINC000083855630 564063894 /nfs/dbraw/zinc/06/38/94/564063894.db2.gz VRYUQGGFWFTTOS-MOPGFXCFSA-N 0 0 348.462 4.410 50 0 EIAARN Cc1cc(C)n2cc(-c3sccc3Cl)c(C(=O)N(C)C)c2n1 ZINC000001382262 564064019 /nfs/dbraw/zinc/06/40/19/564064019.db2.gz ZWSRMWRUXJIRMQ-UHFFFAOYSA-N 0 0 333.844 4.035 50 0 EIAARN C[C@H](OC(=O)C=C1CCCCC1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000083888729 564064276 /nfs/dbraw/zinc/06/42/76/564064276.db2.gz XNCGDRCCWPSQQK-HOCLYGCPSA-N 0 0 347.480 4.234 50 0 EIAARN C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccc1F ZINC000012734413 564064385 /nfs/dbraw/zinc/06/43/85/564064385.db2.gz KIAVRRGAFMLSEB-GFCCVEGCSA-N 0 0 326.396 4.440 50 0 EIAARN Cc1cc2nccc(-c3ccc(-n4cnc5ccccc54)cc3)n2n1 ZINC000001390293 564064491 /nfs/dbraw/zinc/06/44/91/564064491.db2.gz CVMXOJCZQAORDK-UHFFFAOYSA-N 0 0 325.375 4.044 50 0 EIAARN c1ccc(-c2nnc(-c3ccccn3)nc2NC2CCCCC2)cc1 ZINC000001397973 564064766 /nfs/dbraw/zinc/06/47/66/564064766.db2.gz LKAMDZUYTXTHDM-UHFFFAOYSA-N 0 0 331.423 4.345 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)c2c(C)cc(C)nc2OCC(C)C)c1 ZINC000001401774 564065042 /nfs/dbraw/zinc/06/50/42/564065042.db2.gz HJYWPZAQCRZCSS-UHFFFAOYSA-N 0 0 347.480 4.183 50 0 EIAARN CC(=O)Nc1c(C)cc(NCc2cnc(C)n2-c2ccccc2)cc1C ZINC000084051395 564065930 /nfs/dbraw/zinc/06/59/30/564065930.db2.gz NXWUCTZLDALBOF-UHFFFAOYSA-N 0 0 348.450 4.368 50 0 EIAARN CO[C@@H]1CCCC[C@@H]1OC(=O)c1sc(Cc2ccccc2)nc1C ZINC000084064422 564066053 /nfs/dbraw/zinc/06/60/53/564066053.db2.gz BPOZIUSPGKIUOM-CVEARBPZSA-N 0 0 345.464 4.157 50 0 EIAARN COc1ccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1C ZINC000084093648 564066432 /nfs/dbraw/zinc/06/64/32/564066432.db2.gz ANJQZRRVWWPLTB-HXUWFJFHSA-N 0 0 338.451 4.169 50 0 EIAARN COc1ccc(-c2nc(-c3cc(C)nc4ccccc43)no2)cc1OC ZINC000001426595 564066771 /nfs/dbraw/zinc/06/67/71/564066771.db2.gz OTMQLAGTRPRTNH-UHFFFAOYSA-N 0 0 347.374 4.277 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1C ZINC000012756338 564067259 /nfs/dbraw/zinc/06/72/59/564067259.db2.gz LEUUPOUZCIQVPF-KRWDZBQOSA-N 0 0 325.408 4.114 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccnn2Cc2ccc(C)o2)C1(C)C ZINC000084195452 564067386 /nfs/dbraw/zinc/06/73/86/564067386.db2.gz LWDANIZZCLRXGS-WBVHZDCISA-N 0 0 327.428 4.010 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccccc2-n2ccnc2C)C1(C)C ZINC000084291118 564067656 /nfs/dbraw/zinc/06/76/56/564067656.db2.gz ONHDZISBUHMLLJ-MJGOQNOKSA-N 0 0 337.467 4.035 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)N3CCC[C@@H](C)C3)s2)cs1 ZINC000084275052 564067679 /nfs/dbraw/zinc/06/76/79/564067679.db2.gz GOHCOPCUMXBUBH-GFCCVEGCSA-N 0 0 349.525 4.164 50 0 EIAARN Cc1nnc2ccc(N[C@H](CC(C)(C)C)c3ccc(F)cc3)nn12 ZINC000084297143 564067702 /nfs/dbraw/zinc/06/77/02/564067702.db2.gz GAUZCJAEXDEGPK-OAHLLOKOSA-N 0 0 327.407 4.161 50 0 EIAARN CCOCc1ccc(NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1 ZINC000084333897 564067793 /nfs/dbraw/zinc/06/77/93/564067793.db2.gz FKWVPNUITAAGEA-UHFFFAOYSA-N 0 0 346.377 4.092 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1OC(F)F ZINC000012764343 564067933 /nfs/dbraw/zinc/06/79/33/564067933.db2.gz JSSDQLKYVKXFLG-UHFFFAOYSA-N 0 0 348.374 4.170 50 0 EIAARN FC(F)(F)c1ccc(OCCNc2ncnc3ccsc32)cc1 ZINC000084393043 564068029 /nfs/dbraw/zinc/06/80/29/564068029.db2.gz HAVCFAHWIYDEHF-UHFFFAOYSA-N 0 0 339.342 4.201 50 0 EIAARN O=C(OC[C@H]1CCCCO1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000084559947 564068686 /nfs/dbraw/zinc/06/86/86/564068686.db2.gz CSQJVRHEKCJWFN-MRXNPFEDSA-N 0 0 337.375 4.221 50 0 EIAARN FC(F)(F)c1cccc(NC(=S)N[C@@H]2COc3ccccc32)c1 ZINC000084579208 564068801 /nfs/dbraw/zinc/06/88/01/564068801.db2.gz WDQAMTYMMFILPK-CYBMUJFWSA-N 0 0 338.354 4.126 50 0 EIAARN COc1cc(OC)c(NC(=O)C[C@H](C)c2ccccc2)cc1Cl ZINC000012774612 564069197 /nfs/dbraw/zinc/06/91/97/564069197.db2.gz ITDNCWIXXSJWIE-LBPRGKRZSA-N 0 0 333.815 4.490 50 0 EIAARN COc1cc(OC)c(NC(=O)C[C@@H](C)c2ccccc2)cc1Cl ZINC000012774609 564069205 /nfs/dbraw/zinc/06/92/05/564069205.db2.gz ITDNCWIXXSJWIE-GFCCVEGCSA-N 0 0 333.815 4.490 50 0 EIAARN C[C@H](CC(=O)OCc1csc(Br)c1)c1ccncc1 ZINC000084636948 564069231 /nfs/dbraw/zinc/06/92/31/564069231.db2.gz OGRLDYLIFQEEJU-SNVBAGLBSA-N 0 0 340.242 4.143 50 0 EIAARN C[C@H](CCc1ccccc1)OC(=O)c1ccc2nc(N)sc2c1 ZINC000084638198 564069280 /nfs/dbraw/zinc/06/92/80/564069280.db2.gz XKAZYCCMAXBNTB-GFCCVEGCSA-N 0 0 326.421 4.057 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@H](C)c3cccc(Cl)c3)cnc21 ZINC000012780618 564069978 /nfs/dbraw/zinc/06/99/78/564069978.db2.gz LSUHAAHIPDRZGP-GFCCVEGCSA-N 0 0 342.830 4.157 50 0 EIAARN CCCc1cc(N[C@H](C)c2oc3ccccc3c2C)n2ncnc2n1 ZINC000084758980 564070092 /nfs/dbraw/zinc/07/00/92/564070092.db2.gz LSWSGLZLSCDZLS-CYBMUJFWSA-N 0 0 335.411 4.305 50 0 EIAARN CCOc1cc2c(cc1CNC(=O)Nc1ccc(C)cc1)O[C@H](C)C2 ZINC000012782628 564070108 /nfs/dbraw/zinc/07/01/08/564070108.db2.gz BWERRYSRTQFELI-CQSZACIVSA-N 0 0 340.423 4.039 50 0 EIAARN CCOCc1ccccc1NC(=O)N[C@H]1CCc2c1cccc2OC ZINC000084802794 564070305 /nfs/dbraw/zinc/07/03/05/564070305.db2.gz NHWKFNNRDKIGJX-SFHVURJKSA-N 0 0 340.423 4.041 50 0 EIAARN CC[C@H](NC(=O)COc1ccccc1)c1ccc(Br)cc1 ZINC000012786075 564070313 /nfs/dbraw/zinc/07/03/13/564070313.db2.gz HQVKSMFGDYZAKC-INIZCTEOSA-N 0 0 348.240 4.095 50 0 EIAARN O=C(Nc1cc(F)ccc1F)c1noc2c1CSc1ccccc1-2 ZINC000015674010 564070529 /nfs/dbraw/zinc/07/05/29/564070529.db2.gz BJYDFUKYBVAIKF-UHFFFAOYSA-N 0 0 344.342 4.478 50 0 EIAARN CCc1ccc(Nc2nc(-c3cc(OC)ccc3OC)no2)cc1 ZINC000015680438 564070686 /nfs/dbraw/zinc/07/06/86/564070686.db2.gz YWTLDJGPVBFEIU-UHFFFAOYSA-N 0 0 325.368 4.060 50 0 EIAARN CCCN(C(=O)Nc1cn(C)c(=O)c2ccccc12)c1ccccc1C ZINC000015680482 564070749 /nfs/dbraw/zinc/07/07/49/564070749.db2.gz CYYMBIJGARXLEF-UHFFFAOYSA-N 0 0 349.434 4.295 50 0 EIAARN O=c1c(=O)c(-c2ccc(Cl)cc2)c1Nc1ccc(F)c(Cl)c1 ZINC000015682424 564070806 /nfs/dbraw/zinc/07/08/06/564070806.db2.gz FITSSGJCFDTYBB-UHFFFAOYSA-N 0 0 336.149 4.139 50 0 EIAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(F)ccc1F ZINC000012808458 564072575 /nfs/dbraw/zinc/07/25/75/564072575.db2.gz KNJHZCHDBOAXSI-UHFFFAOYSA-N 0 0 334.347 4.171 50 0 EIAARN CN(Cc1ccccc1)c1nc(-c2ccncc2)nc2ccccc21 ZINC000012812045 564072834 /nfs/dbraw/zinc/07/28/34/564072834.db2.gz MYRIZOUDJQYRKF-UHFFFAOYSA-N 0 0 326.403 4.328 50 0 EIAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccs1 ZINC000085474128 564073556 /nfs/dbraw/zinc/07/35/56/564073556.db2.gz YGPJHOOXXQQTHY-UHFFFAOYSA-N 0 0 333.459 4.032 50 0 EIAARN Cc1ccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000006087293 564073758 /nfs/dbraw/zinc/07/37/58/564073758.db2.gz WIZNKPKYTRPKQH-UHFFFAOYSA-N 0 0 349.217 4.091 50 0 EIAARN Cc1cc(C)n(-c2nnc(Nc3cc(C)ccc3O)c3ccccc32)n1 ZINC000015777685 564074108 /nfs/dbraw/zinc/07/41/08/564074108.db2.gz ASWIJZBBLDGWEG-UHFFFAOYSA-N 0 0 345.406 4.190 50 0 EIAARN O=C(Nc1cc(-c2ccccc2)on1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000085609766 564074242 /nfs/dbraw/zinc/07/42/42/564074242.db2.gz SMIUKKONVMPCEF-QGZVFWFLSA-N 0 0 349.390 4.027 50 0 EIAARN CC(=O)c1cccc(NC(=O)Cc2nc(-c3cccs3)oc2C)c1 ZINC000012820933 564074330 /nfs/dbraw/zinc/07/43/30/564074330.db2.gz OIQSPHJSWUDECD-UHFFFAOYSA-N 0 0 340.404 4.095 50 0 EIAARN Cc1oc2ccccc2c1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000185680061 564074510 /nfs/dbraw/zinc/07/45/10/564074510.db2.gz XQGRWXOHAHYYFU-UHFFFAOYSA-N 0 0 334.375 4.268 50 0 EIAARN O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@H]1c1cccs1 ZINC000264391415 564074909 /nfs/dbraw/zinc/07/49/09/564074909.db2.gz SOIBBQMFGYQUJV-ZDUSSCGKSA-N 0 0 344.461 4.371 50 0 EIAARN CCc1cccc(CC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000145142 564074936 /nfs/dbraw/zinc/07/49/36/564074936.db2.gz AMOMKILEXBLVPX-UHFFFAOYSA-N 0 0 343.423 4.090 50 0 EIAARN COCCn1ccc2cc(C(=O)Nc3ccc4[nH]ccc4c3)ccc21 ZINC000085878147 564075186 /nfs/dbraw/zinc/07/51/86/564075186.db2.gz XPTPOHVLGNGTEI-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 biogenic EIAARN Cc1nc2ccccc2c(OCC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000012847530 564075248 /nfs/dbraw/zinc/07/52/48/564075248.db2.gz PPCVMEMGNZQCHR-UHFFFAOYSA-N 0 0 335.407 4.079 50 0 EIAARN CCc1cnc([C@H](C)NC(=O)N([C@@H](C)c2ccccn2)C2CC2)s1 ZINC000086428804 564075644 /nfs/dbraw/zinc/07/56/44/564075644.db2.gz IZYOPJBWISDIMJ-STQMWFEESA-N 0 0 344.484 4.097 50 0 EIAARN Cc1cnc(CNC(=O)N([C@@H](C)c2ccccc2F)C2CC2)s1 ZINC000086424938 564075648 /nfs/dbraw/zinc/07/56/48/564075648.db2.gz BLMSKNKXUSUJRF-LBPRGKRZSA-N 0 0 333.432 4.026 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)CCc1ccccc1 ZINC000012865801 564075819 /nfs/dbraw/zinc/07/58/19/564075819.db2.gz AHGFBPQSDDOKKH-JKSUJKDBSA-N 0 0 326.440 4.077 50 0 EIAARN CSC(=S)O[C@@H]1CC2CC(C2)C[C@H](OC(=S)SC)C1 ZINC000101141741 564076357 /nfs/dbraw/zinc/07/63/57/564076357.db2.gz OFEXTOCXWDSMPG-HWACXVBKSA-N 0 0 336.569 4.263 50 0 EIAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000015836296 564076360 /nfs/dbraw/zinc/07/63/60/564076360.db2.gz AYFYKWQUQZUPOA-INIZCTEOSA-N 0 0 335.494 4.397 50 0 EIAARN COc1ccc(CO[C@@H]2[C@H]3CCC(=CCCC[C@@H]2O)C3(C)C)cc1 ZINC000104308451 564076365 /nfs/dbraw/zinc/07/63/65/564076365.db2.gz DAIJQUZAFFORFS-CCDUEHOTSA-N 0 0 330.468 4.488 50 0 EIAARN Cc1csc(NC(=O)Cc2sc(C)nc2-c2cccs2)n1 ZINC000015840236 564076655 /nfs/dbraw/zinc/07/66/55/564076655.db2.gz VDVXXUCIUSHKHF-UHFFFAOYSA-N 0 0 335.479 4.126 50 0 EIAARN O=c1[nH]ncc(N2CC=C(c3cccc4ccccc43)CC2)c1Cl ZINC000063738798 564076702 /nfs/dbraw/zinc/07/67/02/564076702.db2.gz LLWAGFAEVBBDSR-UHFFFAOYSA-N 0 0 337.810 4.283 50 0 EIAARN COc1ccc(-c2nnc3sc(/C=C\c4ccccc4)nn32)cc1 ZINC000035227274 564076726 /nfs/dbraw/zinc/07/67/26/564076726.db2.gz DICKJKPSVCOAAT-GHXNOFRVSA-N 0 0 334.404 4.032 50 0 EIAARN Nc1nc(-c2ccccc2Cl)nn1C(=O)c1cccc2ccccc21 ZINC000015859090 564076826 /nfs/dbraw/zinc/07/68/26/564076826.db2.gz OKKPCXVHXFMDPY-UHFFFAOYSA-N 0 0 348.793 4.022 50 0 EIAARN Nc1cc(NC(=O)c2ccccc2Cl)ccc1N1CCCCC1 ZINC000015861513 564076960 /nfs/dbraw/zinc/07/69/60/564076960.db2.gz BFEVMSKGEMLPRN-UHFFFAOYSA-N 0 0 329.831 4.165 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000006154056 564076973 /nfs/dbraw/zinc/07/69/73/564076973.db2.gz ZCBBMPNUBBCHOU-UHFFFAOYSA-N 0 0 332.363 4.087 50 0 EIAARN O=C(N[C@H]1CCc2ccccc21)c1csc(-c2ccsc2)n1 ZINC000012886003 564077529 /nfs/dbraw/zinc/07/75/29/564077529.db2.gz YPPWPWSVZIAUSL-AWEZNQCLSA-N 0 0 326.446 4.289 50 0 EIAARN CC(C)c1nnc(N2CCC(c3nc4ccccc4o3)CC2)s1 ZINC000301688973 564077799 /nfs/dbraw/zinc/07/77/99/564077799.db2.gz MXAKQNSEEOWPIX-UHFFFAOYSA-N 0 0 328.441 4.187 50 0 EIAARN CCc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000012914698 564078028 /nfs/dbraw/zinc/07/80/28/564078028.db2.gz DAOSOKRVQQDGON-UHFFFAOYSA-N 0 0 337.463 4.440 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 ZINC000012929753 564078644 /nfs/dbraw/zinc/07/86/44/564078644.db2.gz IIDDAMXBWQQRQB-UHFFFAOYSA-N 0 0 328.418 4.327 50 0 EIAARN Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1C ZINC000012929317 564078649 /nfs/dbraw/zinc/07/86/49/564078649.db2.gz YGAAEGZAOLUOFT-UHFFFAOYSA-N 0 0 349.409 4.369 50 0 EIAARN CCOc1ccc2nc(-c3cc(NC(C)=O)ccc3O)sc2c1 ZINC000015962534 564078810 /nfs/dbraw/zinc/07/88/10/564078810.db2.gz XNQPJHIWVOZVHG-UHFFFAOYSA-N 0 0 328.393 4.026 50 0 EIAARN CCN(Cc1ccc(Cl)s1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000012936220 564079274 /nfs/dbraw/zinc/07/92/74/564079274.db2.gz VXVIILGBUBXKMR-LLVKDONJSA-N 0 0 347.871 4.221 50 0 EIAARN CCn1c2ccccc2c2cc(N[C@H](C(N)=O)c3ccccc3)ccc21 ZINC000026159959 564079342 /nfs/dbraw/zinc/07/93/42/564079342.db2.gz PVRLFIRZVIXZQC-NRFANRHFSA-N 0 0 343.430 4.453 50 0 EIAARN O=C(NCCC1CC1)Nc1cccc(CSC2CCOCC2)c1 ZINC000078937641 564079429 /nfs/dbraw/zinc/07/94/29/564079429.db2.gz IUCRFWBKTXSZBH-UHFFFAOYSA-N 0 0 334.485 4.020 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)o2)c(C)c1 ZINC000016047607 564079516 /nfs/dbraw/zinc/07/95/16/564079516.db2.gz ILVAXZGURJAYSG-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN CCc1ccc([C@@H](NC(=O)N(C)Cc2nccs2)C(C)(C)C)o1 ZINC000074892582 564079551 /nfs/dbraw/zinc/07/95/51/564079551.db2.gz FXMUGCRHJVNPQV-OAHLLOKOSA-N 0 0 335.473 4.227 50 0 EIAARN COc1ccc(/C=C\C(=O)Nc2cc(C)nc3ccccc32)cc1OC ZINC000006183466 564079626 /nfs/dbraw/zinc/07/96/26/564079626.db2.gz CEUIDBRKBRJORE-LUAWRHEFSA-N 0 0 348.402 4.212 50 0 EIAARN O=C(Cc1cnn(-c2ccccc2)c1)Nc1cccc2ccccc21 ZINC000012946928 564079700 /nfs/dbraw/zinc/07/97/00/564079700.db2.gz NHPHUFUVYORRKI-UHFFFAOYSA-N 0 0 327.387 4.207 50 0 EIAARN C[C@@H](NC(=O)/C=C/c1ccsc1)c1nc(-c2cccnc2)cs1 ZINC000075136706 564080491 /nfs/dbraw/zinc/08/04/91/564080491.db2.gz QNJIKFSIIVXQKR-ZYOFXKKJSA-N 0 0 341.461 4.157 50 0 EIAARN C[C@H](NC(=O)N(C)Cc1ccncc1)c1csc2ccccc21 ZINC000075133515 564080504 /nfs/dbraw/zinc/08/05/04/564080504.db2.gz DCENLYXDYQIXLE-ZDUSSCGKSA-N 0 0 325.437 4.199 50 0 EIAARN CCN(CC)c1nc2ccccc2n2c(/C=C/c3ccccc3)nnc12 ZINC000075284357 564081520 /nfs/dbraw/zinc/08/15/20/564081520.db2.gz YHBCERWYFMOQLI-CCEZHUSRSA-N 0 0 343.434 4.294 50 0 EIAARN COC(=O)N(C)[C@H](c1cccc2ccccc21)[C@H]1CCCCC1=O ZINC000075286133 564081554 /nfs/dbraw/zinc/08/15/54/564081554.db2.gz GHFGJVQXQCUTJI-PKOBYXMFSA-N 0 0 325.408 4.338 50 0 EIAARN O=C(COC(=O)c1cc2ccccc2[nH]1)c1ccc2ccccc2c1 ZINC000007973886 564081791 /nfs/dbraw/zinc/08/17/91/564081791.db2.gz SRLVSZNTTCZPDT-UHFFFAOYSA-N 0 0 329.355 4.361 50 0 EIAARN COCCCNC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000075352880 564082080 /nfs/dbraw/zinc/08/20/80/564082080.db2.gz VTARLCCNIWUYCV-UHFFFAOYSA-N 0 0 341.386 4.132 50 0 EIAARN CO[C@H](C)c1nc(C[S@@](=O)Cc2cccc3ccccc32)cs1 ZINC000078987579 564082295 /nfs/dbraw/zinc/08/22/95/564082295.db2.gz JGAZZQMAERCXLH-JCQPUDPBSA-N 0 0 345.489 4.453 50 0 EIAARN Cc1ccc(NC(=O)N2CC[C@H](Oc3ccncc3Cl)C2)cc1C ZINC000575605363 564082363 /nfs/dbraw/zinc/08/23/63/564082363.db2.gz KBEKCLURRKXNBU-HNNXBMFYSA-N 0 0 345.830 4.037 50 0 EIAARN COC(=O)c1ccc(CSc2ccc(Br)cc2)o1 ZINC000006919136 564101365 /nfs/dbraw/zinc/10/13/65/564101365.db2.gz JOTMTBOFNGUARF-UHFFFAOYSA-N 0 0 327.199 4.121 50 0 EIAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1F ZINC000575610486 564082558 /nfs/dbraw/zinc/08/25/58/564082558.db2.gz NUPZFXIOQBMUBB-SFHVURJKSA-N 0 0 341.407 4.018 50 0 EIAARN O=C(Nc1ccccc1F)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000053748854 564082848 /nfs/dbraw/zinc/08/28/48/564082848.db2.gz GGEWVPWDGXUNCQ-INIZCTEOSA-N 0 0 328.387 4.039 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 ZINC000006235900 564083141 /nfs/dbraw/zinc/08/31/41/564083141.db2.gz VEBGZDIXQYTOFN-UHFFFAOYSA-N 0 0 341.407 4.213 50 0 EIAARN O=C(Nn1cnc2ccccc21)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000063914691 564083152 /nfs/dbraw/zinc/08/31/52/564083152.db2.gz QGAGQIMJGLINJU-UHFFFAOYSA-N 0 0 342.811 4.130 50 0 EIAARN O=C(COc1ccccc1)Nc1ccc(Br)cc1Cl ZINC000006260099 564083312 /nfs/dbraw/zinc/08/33/12/564083312.db2.gz VDJDBEIDFKNRDV-UHFFFAOYSA-N 0 0 340.604 4.120 50 0 EIAARN O=C(Cc1ccccc1Cl)N1CCc2sc(Cl)cc2C1 ZINC000575615908 564083441 /nfs/dbraw/zinc/08/34/41/564083441.db2.gz JELRDNIDMDHTHG-UHFFFAOYSA-N 0 0 326.248 4.182 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2Cl)c1C ZINC000006272477 564083476 /nfs/dbraw/zinc/08/34/76/564083476.db2.gz MEPMTIUFSSALHQ-UHFFFAOYSA-N 0 0 334.803 4.022 50 0 EIAARN Cc1ccc(Cl)c(NC(=O)COC(=O)[C@@H]2CC=CCC2)c1Cl ZINC000006291621 564083659 /nfs/dbraw/zinc/08/36/59/564083659.db2.gz CRBUJURJRBPKRL-LLVKDONJSA-N 0 0 342.222 4.140 50 0 EIAARN CCOc1ccccc1NC(=O)NCc1cncc(-c2ccoc2)c1 ZINC000575619232 564083754 /nfs/dbraw/zinc/08/37/54/564083754.db2.gz BHJZFWUUHJIMND-UHFFFAOYSA-N 0 0 337.379 4.062 50 0 EIAARN O=C(NCc1cncc(C2CC2)c1)NCc1cccc2ccccc21 ZINC000575620200 564083857 /nfs/dbraw/zinc/08/38/57/564083857.db2.gz KWGPJYMZEKRGPJ-UHFFFAOYSA-N 0 0 331.419 4.112 50 0 EIAARN COc1ccccc1-c1cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)n[nH]1 ZINC000064055852 564084306 /nfs/dbraw/zinc/08/43/06/564084306.db2.gz QQRSQPIMRFKMIB-KBXCAEBGSA-N 0 0 339.439 4.262 50 0 EIAARN O=C(Nc1ccccc1Cc1ccccc1)c1cn2ccccc2n1 ZINC000006315742 564084555 /nfs/dbraw/zinc/08/45/55/564084555.db2.gz FFBCOHAFSHWEKO-UHFFFAOYSA-N 0 0 327.387 4.177 50 0 EIAARN CCN(C(=O)c1cc(-c2ccccc2)on1)c1ccc(F)c(F)c1 ZINC000075449929 564084902 /nfs/dbraw/zinc/08/49/02/564084902.db2.gz XEQJODSSDNGNEK-UHFFFAOYSA-N 0 0 328.318 4.287 50 0 EIAARN CC(C)C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000006325171 564085032 /nfs/dbraw/zinc/08/50/32/564085032.db2.gz IMDYWDCNVXEABD-UHFFFAOYSA-N 0 0 327.862 4.078 50 0 EIAARN COC(=O)c1ccccc1NC(=S)Nc1ccc(C)c(Cl)c1 ZINC000006390968 564085482 /nfs/dbraw/zinc/08/54/82/564085482.db2.gz NBQMEXFWHNEPGO-UHFFFAOYSA-N 0 0 334.828 4.244 50 0 EIAARN O=C(NC1CCCC1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000006393585 564085485 /nfs/dbraw/zinc/08/54/85/564085485.db2.gz KGTDIVBGRULVPN-UHFFFAOYSA-N 0 0 331.419 4.212 50 0 EIAARN Cc1cccc(NC2(c3nnnn3C3CCCCC3)CCCC2)c1 ZINC000006391301 564085498 /nfs/dbraw/zinc/08/54/98/564085498.db2.gz DCWAMZKXCMABBY-UHFFFAOYSA-N 0 0 325.460 4.368 50 0 EIAARN CC(C)C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000012999014 564086236 /nfs/dbraw/zinc/08/62/36/564086236.db2.gz CKUOJMYQLZHPSK-GOSISDBHSA-N 0 0 339.435 4.252 50 0 EIAARN COc1cccc(CCC(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000013007479 564086418 /nfs/dbraw/zinc/08/64/18/564086418.db2.gz CICPMBZWWVGGEQ-UHFFFAOYSA-N 0 0 326.421 4.185 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccs1 ZINC000013007485 564086436 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564092370 /nfs/dbraw/zinc/09/23/70/564092370.db2.gz VCMKCQSOCIXBDA-UHFFFAOYSA-N 0 0 330.478 4.492 50 0 EIAARN CCCC(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 ZINC000006593281 564092496 /nfs/dbraw/zinc/09/24/96/564092496.db2.gz ZCNYEPZFCSXLPS-UHFFFAOYSA-N 0 0 327.862 4.222 50 0 EIAARN Cc1nc(CNC(=O)Nc2ccccn2)oc1-c1ccc(Cl)cc1 ZINC000089558509 564092846 /nfs/dbraw/zinc/09/28/46/564092846.db2.gz SCJMCLJNGNROJI-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN CCCN1COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2C1 ZINC000054313688 564093005 /nfs/dbraw/zinc/09/30/05/564093005.db2.gz RFHWZODNVBXXQQ-UHFFFAOYSA-N 0 0 339.366 4.161 50 0 EIAARN Cc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)c(C)n1-c1cccnc1 ZINC000089580082 564093018 /nfs/dbraw/zinc/09/30/18/564093018.db2.gz YNTOZLWICJMPAI-IBGZPJMESA-N 0 0 345.446 4.119 50 0 EIAARN Cn1c2ccc(F)cc2nc1NCc1cnc(-c2ccco2)s1 ZINC000192756858 564093100 /nfs/dbraw/zinc/09/31/00/564093100.db2.gz ZHJDPHDPWGARJI-UHFFFAOYSA-N 0 0 328.372 4.041 50 0 EIAARN COCCCNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc21 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O=C(N[C@@H]1COC2(C1)CCCCC2)c1cc2cc(Cl)ccc2[nH]1 ZINC000426534122 564094029 /nfs/dbraw/zinc/09/40/29/564094029.db2.gz WOUQVXDWKUQSPQ-AWEZNQCLSA-N 0 0 332.831 4.043 50 0 EIAARN CC(C)N(C(=O)c1ccccc1-c1cc(C(F)(F)F)[nH]n1)C(C)C ZINC000426575072 564094161 /nfs/dbraw/zinc/09/41/61/564094161.db2.gz UQSYLNVPZBVXMM-UHFFFAOYSA-N 0 0 339.361 4.355 50 0 EIAARN O=C(NC1CCCCCCC1)c1cccc(-c2cnn3cccnc23)c1 ZINC000426621722 564094280 /nfs/dbraw/zinc/09/42/80/564094280.db2.gz MMZMHDPCGCXBOU-UHFFFAOYSA-N 0 0 348.450 4.239 50 0 EIAARN CCCCN(Cc1ccco1)C(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000426651171 564094292 /nfs/dbraw/zinc/09/42/92/564094292.db2.gz APHBNCCEUDKVRC-UHFFFAOYSA-N 0 0 337.423 4.123 50 0 EIAARN COC(C)(C)CCNC(=O)c1ccc(-c2ccc(F)cc2C)cc1 ZINC000426705714 564094436 /nfs/dbraw/zinc/09/44/36/564094436.db2.gz OWQVZQRRADBREC-UHFFFAOYSA-N 0 0 329.415 4.346 50 0 EIAARN Cc1ccc2[nH]c([C@@H](NC(=O)N(C)CC3CCC3)C(C)C)nc2c1 ZINC000426719827 564094447 /nfs/dbraw/zinc/09/44/47/564094447.db2.gz IMRKHXLRSNXSRG-KRWDZBQOSA-N 0 0 328.460 4.010 50 0 EIAARN CCOc1ccccc1CNc1ncnc2c(-c3ccccc3)noc21 ZINC000064658363 564094699 /nfs/dbraw/zinc/09/46/99/564094699.db2.gz XQLSOXBSRGEQSX-UHFFFAOYSA-N 0 0 346.390 4.296 50 0 EIAARN COc1ccc(CNc2ncnc3c(-c4ccc(C)cc4)noc32)cc1 ZINC000064658377 564094700 /nfs/dbraw/zinc/09/47/00/564094700.db2.gz ZIDZWBJBMGQSHF-UHFFFAOYSA-N 0 0 346.390 4.214 50 0 EIAARN O=C(Nc1c(F)c(F)cc(F)c1F)c1cccc(Br)c1 ZINC000006638304 564094787 /nfs/dbraw/zinc/09/47/87/564094787.db2.gz RYTGMECBMURHMM-UHFFFAOYSA-N 0 0 348.093 4.258 50 0 EIAARN O=C([C@H]1C[C@H]1c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000066310890 564094831 /nfs/dbraw/zinc/09/48/31/564094831.db2.gz RRNREZBBGITYMO-ROUUACIJSA-N 0 0 346.430 4.338 50 0 EIAARN COc1ccc(-c2csc3c2ncn(CCC(C)C)c3=O)cc1 ZINC000064667645 564094983 /nfs/dbraw/zinc/09/49/83/564094983.db2.gz VKTLXNVTSVGSSJ-UHFFFAOYSA-N 0 0 328.437 4.180 50 0 EIAARN O=C(N[C@@H]1CCSc2ccccc21)c1cc(Cl)nc(Cl)c1 ZINC000006649164 564095097 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564095811 /nfs/dbraw/zinc/09/58/11/564095811.db2.gz HWYBMFNTZRDFTH-UHFFFAOYSA-N 0 0 341.499 4.331 50 0 EIAARN Cc1cccc(Nc2cc(C(C)C)nc3nc(-c4cccnc4)nn32)c1 ZINC000064790990 564096246 /nfs/dbraw/zinc/09/62/46/564096246.db2.gz SKHXTBXNMHNONG-UHFFFAOYSA-N 0 0 344.422 4.362 50 0 EIAARN CCCn1nnc2cc(C(=O)Nc3cccc4ccccc43)ccc21 ZINC000064818631 564096552 /nfs/dbraw/zinc/09/65/52/564096552.db2.gz GHMULALTEQIQHT-UHFFFAOYSA-N 0 0 330.391 4.247 50 0 EIAARN CCCn1nnc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc21 ZINC000064818590 564096565 /nfs/dbraw/zinc/09/65/65/564096565.db2.gz AQXJSTUOGQXHLS-UHFFFAOYSA-N 0 0 328.803 4.055 50 0 EIAARN COc1cccc(C(=O)N(Cc2ccco2)Cc2cccc(F)c2)c1 ZINC000006747575 564096945 /nfs/dbraw/zinc/09/69/45/564096945.db2.gz AJFSPAAPIWMRDB-UHFFFAOYSA-N 0 0 339.366 4.270 50 0 EIAARN CCCN(CCC)c1cc(C)nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000006748178 564096963 /nfs/dbraw/zinc/09/69/63/564096963.db2.gz KKYKZRJNCDKAFG-UHFFFAOYSA-N 0 0 343.862 4.380 50 0 EIAARN Cc1ccc(-c2nn(C)cc2CCC(=O)NCC2CCCCC2)cc1 ZINC000064861092 564097141 /nfs/dbraw/zinc/09/71/41/564097141.db2.gz NHPCXTWPQOYCHG-UHFFFAOYSA-N 0 0 339.483 4.025 50 0 EIAARN CC[C@@H](C)NC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780446 564097592 /nfs/dbraw/zinc/09/75/92/564097592.db2.gz OTCGGFBUSWOAPM-GFCCVEGCSA-N 0 0 327.453 4.232 50 0 EIAARN O=C(NC1CCCCC1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000006786023 564097729 /nfs/dbraw/zinc/09/77/29/564097729.db2.gz KTDZTXNJBOCLLG-UHFFFAOYSA-N 0 0 347.418 4.466 50 0 EIAARN CSc1ncccc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000006789286 564097862 /nfs/dbraw/zinc/09/78/62/564097862.db2.gz FYFLUTWJBOHCLD-UHFFFAOYSA-N 0 0 334.444 4.323 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Cl)nc2)ccc1Br ZINC000006790278 564097911 /nfs/dbraw/zinc/09/79/11/564097911.db2.gz JORIZXDWIQFWFR-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(N(C)C3CCCCC3)s2)cc1 ZINC000006792614 564097994 /nfs/dbraw/zinc/09/79/94/564097994.db2.gz YXAPPDYUSWNYPL-UHFFFAOYSA-N 0 0 345.472 4.259 50 0 EIAARN C=Cc1ccc(Cn2c3ccccc3c(C[NH2+]C3CC3)c2C(=O)[O-])cc1 ZINC000006803475 564098283 /nfs/dbraw/zinc/09/82/83/564098283.db2.gz FRXILMJDADNSCZ-UHFFFAOYSA-N 0 0 346.430 4.283 50 0 EIAARN CCn1c2ccccc2c(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1C(=O)[O-] ZINC000006803544 564098291 /nfs/dbraw/zinc/09/82/91/564098291.db2.gz OYVOOALBGOQSSH-GRDNDAEWSA-N 0 0 328.456 4.274 50 0 EIAARN CCCNC(=O)c1c(C)c2c(n1Cc1ccc(F)cc1F)CCCC2 ZINC000006801902 564098292 /nfs/dbraw/zinc/09/82/92/564098292.db2.gz MVDNNHBONAGHEH-UHFFFAOYSA-N 0 0 346.421 4.142 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006806985 564098321 /nfs/dbraw/zinc/09/83/21/564098321.db2.gz KYWISNRBXYFKFP-UHFFFAOYSA-N 0 0 346.365 4.054 50 0 EIAARN CCCc1nnc(NC(=O)Cc2coc3c2ccc(C)c3C)s1 ZINC000006809920 564098505 /nfs/dbraw/zinc/09/85/05/564098505.db2.gz AOTMPRBQJVYHPW-UHFFFAOYSA-N 0 0 329.425 4.035 50 0 EIAARN O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1ccccc1F ZINC000006813662 564098646 /nfs/dbraw/zinc/09/86/46/564098646.db2.gz GHMSKJURWLOHSQ-UHFFFAOYSA-N 0 0 332.338 4.016 50 0 EIAARN CCCn1nnc2cc(-c3noc(-c4ccc(C)c(F)c4)n3)ccc21 ZINC000064980025 564098923 /nfs/dbraw/zinc/09/89/23/564098923.db2.gz LHFPNUCNNYWRBT-UHFFFAOYSA-N 0 0 337.358 4.006 50 0 EIAARN CN1c2ccccc2C(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000006831066 564099146 /nfs/dbraw/zinc/09/91/46/564099146.db2.gz ZYALFXPLVMIWJN-OAQYLSRUSA-N 0 0 344.414 4.144 50 0 EIAARN Cc1ccc(C)c(NC(=O)[C@H](NCc2ccncc2)c2ccccc2)c1 ZINC000006831175 564099154 /nfs/dbraw/zinc/09/91/54/564099154.db2.gz AGIIBNLAXJTNOW-OAQYLSRUSA-N 0 0 345.446 4.168 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccncc2)cs1 ZINC000006831394 564099208 /nfs/dbraw/zinc/09/92/08/564099208.db2.gz BPGUVXHQHDKSTA-UHFFFAOYSA-N 0 0 347.802 4.179 50 0 EIAARN CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)c2cc(C)ccc2O1 ZINC000006843098 564099476 /nfs/dbraw/zinc/09/94/76/564099476.db2.gz RDNIEJMRMHDMAW-OAHLLOKOSA-N 0 0 326.396 4.213 50 0 EIAARN C[C@H](Sc1nnc(-c2ccco2)o1)c1nnc(-c2cccs2)o1 ZINC000006843364 564099502 /nfs/dbraw/zinc/09/95/02/564099502.db2.gz BMGTZVKBBPXKKC-QMMMGPOBSA-N 0 0 346.393 4.294 50 0 EIAARN O=C(CSc1ccc(-c2cccs2)nn1)Nc1ccccc1F ZINC000006858770 564099751 /nfs/dbraw/zinc/09/97/51/564099751.db2.gz SUAHAQFNQGXPRA-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN Cc1cc(C)c2nc(SCC(=O)N[C@H](C)C(C)C)cc(C)c2c1 ZINC000006862462 564100003 /nfs/dbraw/zinc/10/00/03/564100003.db2.gz MPYMHCFPEBXTPS-OAHLLOKOSA-N 0 0 330.497 4.413 50 0 EIAARN COCc1nc(C(=O)Oc2ccccc2-c2ccccc2)cs1 ZINC000065043324 564100133 /nfs/dbraw/zinc/10/01/33/564100133.db2.gz QGMCYSJKMZVGFM-UHFFFAOYSA-N 0 0 325.389 4.176 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)C[C@H]1OCCc2ccccc21 ZINC000157101586 564100272 /nfs/dbraw/zinc/10/02/72/564100272.db2.gz VCZUHYUIDNPGGL-WOJBJXKFSA-N 0 0 338.451 4.085 50 0 EIAARN Cc1ccccc1C(=O)NCc1cccc(COCc2ccco2)c1 ZINC000036396380 564100668 /nfs/dbraw/zinc/10/06/68/564100668.db2.gz WUUSGMGNRIDFGS-UHFFFAOYSA-N 0 0 335.403 4.235 50 0 EIAARN c1ccc(-c2noc(-c3cncnc3NCCC3=CCCCC3)n2)cc1 ZINC000169775582 564100766 /nfs/dbraw/zinc/10/07/66/564100766.db2.gz CHRRYMQSJDQOBM-UHFFFAOYSA-N 0 0 347.422 4.496 50 0 EIAARN c1ccc(-c2noc(-c3cncnc3NC3CCCCCC3)n2)cc1 ZINC000169775550 564100775 /nfs/dbraw/zinc/10/07/75/564100775.db2.gz VRKAHFJREKOCJL-UHFFFAOYSA-N 0 0 335.411 4.328 50 0 EIAARN Clc1ccc(Cc2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1 ZINC000065137130 564101504 /nfs/dbraw/zinc/10/15/04/564101504.db2.gz QTIBUBJERGPNCL-UHFFFAOYSA-N 0 0 336.782 4.371 50 0 EIAARN O=C(Nc1cc(Cl)ccc1Cl)c1cncc(Br)c1 ZINC000006925753 564101505 /nfs/dbraw/zinc/10/15/05/564101505.db2.gz FGUVEKPOILFAGS-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN Cc1nc2cc(-c3noc(Cc4cccc(Cl)c4)n3)ccc2o1 ZINC000065149629 564101754 /nfs/dbraw/zinc/10/17/54/564101754.db2.gz AKIKVGQAJCVWKV-UHFFFAOYSA-N 0 0 325.755 4.430 50 0 EIAARN CCc1nc2cc(-c3noc(-c4ccc(F)c(F)c4)n3)ccc2o1 ZINC000065149716 564101789 /nfs/dbraw/zinc/10/17/89/564101789.db2.gz YCMUPDYDQHJSNA-UHFFFAOYSA-N 0 0 327.290 4.385 50 0 EIAARN CCc1nc2cc(-c3noc(-c4ccnc(Cl)c4)n3)ccc2o1 ZINC000065149765 564101808 /nfs/dbraw/zinc/10/18/08/564101808.db2.gz FUXYELFFGQFYBH-UHFFFAOYSA-N 0 0 326.743 4.156 50 0 EIAARN CSc1ncc(C(=O)NCc2ccccc2C)c(-c2ccccc2)n1 ZINC000006938230 564101859 /nfs/dbraw/zinc/10/18/59/564101859.db2.gz AQWXEPUNWRTNKI-UHFFFAOYSA-N 0 0 349.459 4.104 50 0 EIAARN CSc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000006947606 564102144 /nfs/dbraw/zinc/10/21/44/564102144.db2.gz XTMPSWWGRYANGG-MRXNPFEDSA-N 0 0 343.448 4.219 50 0 EIAARN COc1ccc(-c2ncccc2CNC(=O)c2cc(C)ccc2C)cc1 ZINC000065171159 564102205 /nfs/dbraw/zinc/10/22/05/564102205.db2.gz CPWARUNSVKAVDM-UHFFFAOYSA-N 0 0 346.430 4.304 50 0 EIAARN CCCn1cc(CCNC(=O)c2ccccc2Cl)c2cccnc21 ZINC000065163915 564102225 /nfs/dbraw/zinc/10/22/25/564102225.db2.gz LOTPNRCSXCAHJW-UHFFFAOYSA-N 0 0 341.842 4.072 50 0 EIAARN O=C(Cc1cccs1)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000065180723 564102373 /nfs/dbraw/zinc/10/23/73/564102373.db2.gz OPGICEYKRZQGQC-UHFFFAOYSA-N 0 0 347.455 4.137 50 0 EIAARN CCC(CC)NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 ZINC000006973318 564102545 /nfs/dbraw/zinc/10/25/45/564102545.db2.gz DECNXBNRZXBMDH-UHFFFAOYSA-N 0 0 337.533 4.402 50 0 EIAARN O=C([C@H](Sc1ncnc2ccccc21)c1ccccc1)N1CCCC1 ZINC000006991369 564102686 /nfs/dbraw/zinc/10/26/86/564102686.db2.gz CTNLGFUBUUSPOM-GOSISDBHSA-N 0 0 349.459 4.086 50 0 EIAARN CC(C)c1cccc(NC(=O)Cc2nnc(-c3ccsc3)o2)c1 ZINC000065214217 564102805 /nfs/dbraw/zinc/10/28/05/564102805.db2.gz QOGUKMWYLABWKK-UHFFFAOYSA-N 0 0 327.409 4.103 50 0 EIAARN Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C(C)C)o2)cc1 ZINC000065218761 564102808 /nfs/dbraw/zinc/10/28/08/564102808.db2.gz QIOIFLYCJPRKSE-UHFFFAOYSA-N 0 0 327.409 4.482 50 0 EIAARN CCCn1cc(C(=O)Nc2ccc(Cl)cc2F)c2cccnc21 ZINC000065216791 564102885 /nfs/dbraw/zinc/10/28/85/564102885.db2.gz ZPPZECVXKGHCRU-UHFFFAOYSA-N 0 0 331.778 4.491 50 0 EIAARN CC(C)Cn1cc(NC(=O)Nc2ccccc2)c2ccccc2c1=O ZINC000007001231 564102958 /nfs/dbraw/zinc/10/29/58/564102958.db2.gz ZRBZPXAXVWGRFK-UHFFFAOYSA-N 0 0 335.407 4.302 50 0 EIAARN O=C(Cc1ccccc1Cl)N1CCc2cc(-c3ccno3)ccc21 ZINC000065247340 564103336 /nfs/dbraw/zinc/10/33/36/564103336.db2.gz FAZBGITWJWNASH-UHFFFAOYSA-N 0 0 338.794 4.127 50 0 EIAARN Cc1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccc2C)on1 ZINC000065247373 564103352 /nfs/dbraw/zinc/10/33/52/564103352.db2.gz HQTZACJLMKITAV-UHFFFAOYSA-N 0 0 332.403 4.090 50 0 EIAARN Fc1ccc(-c2cc3n(n2)CCCN(Cc2cccc(F)c2)C3)cc1 ZINC000065270433 564103832 /nfs/dbraw/zinc/10/38/32/564103832.db2.gz HRSKKBNQYQQPFD-UHFFFAOYSA-N 0 0 339.389 4.234 50 0 EIAARN COc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC ZINC000007059656 564104028 /nfs/dbraw/zinc/10/40/28/564104028.db2.gz LCVRMUXOYFXWKF-LLVKDONJSA-N 0 0 331.437 4.142 50 0 EIAARN COc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 ZINC000007061640 564104495 /nfs/dbraw/zinc/10/44/95/564104495.db2.gz JFKZBIXIDSSYAR-UHFFFAOYSA-N 0 0 330.434 4.061 50 0 EIAARN Cc1ccc([C@H](O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000170003014 564104745 /nfs/dbraw/zinc/10/47/45/564104745.db2.gz IHSSMZJLRROSLA-CQSZACIVSA-N 0 0 341.461 4.078 50 0 EIAARN CCn1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc3[C@H]2C)n1 ZINC000065293142 564104763 /nfs/dbraw/zinc/10/47/63/564104763.db2.gz OQBJFXPIPLAKRK-MRXNPFEDSA-N 0 0 345.446 4.330 50 0 EIAARN COc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)ccc1C ZINC000007117262 564105098 /nfs/dbraw/zinc/10/50/98/564105098.db2.gz QWCWMXVJAABEHH-CYBMUJFWSA-N 0 0 340.448 4.447 50 0 EIAARN CCC(CC)c1nnc(NC(=O)COc2cc(C)cc(C)c2)s1 ZINC000007166474 564105552 /nfs/dbraw/zinc/10/55/52/564105552.db2.gz GMNJNKFIUAOSBY-UHFFFAOYSA-N 0 0 333.457 4.076 50 0 EIAARN Cc1occc1-c1nnc(SCc2nc(-c3ccsc3)no2)o1 ZINC000007168331 564105562 /nfs/dbraw/zinc/10/55/62/564105562.db2.gz JJHWOJOXLCPQMT-UHFFFAOYSA-N 0 0 346.393 4.042 50 0 EIAARN CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c1C ZINC000007193811 564105641 /nfs/dbraw/zinc/10/56/41/564105641.db2.gz KCQPUCBCYOKINS-UHFFFAOYSA-N 0 0 345.424 4.051 50 0 EIAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000007227031 564105899 /nfs/dbraw/zinc/10/58/99/564105899.db2.gz OOBPBFCBFZXZSN-UHFFFAOYSA-N 0 0 338.407 4.048 50 0 EIAARN CC[C@@H](C)c1ccc(N[C@@H](C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000007241160 564105912 /nfs/dbraw/zinc/10/59/12/564105912.db2.gz OOVWRPYRUDHUNE-CVEARBPZSA-N 0 0 340.467 4.326 50 0 EIAARN O=C(Cc1cccc2ccccc21)OCc1ccc(-n2cccn2)cc1 ZINC000007254624 564106088 /nfs/dbraw/zinc/10/60/88/564106088.db2.gz HXIKWSIGZIXOOQ-UHFFFAOYSA-N 0 0 342.398 4.311 50 0 EIAARN C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)cc1Cl ZINC000007266612 564106148 /nfs/dbraw/zinc/10/61/48/564106148.db2.gz LIPIQWGLTYGRSV-LBPRGKRZSA-N 0 0 337.250 4.452 50 0 EIAARN Cc1noc(C(C)C)c1C(=O)NCc1ccc(Cl)cc1Cl ZINC000007278451 564106178 /nfs/dbraw/zinc/10/61/78/564106178.db2.gz RGLRKWOUEANJIM-UHFFFAOYSA-N 0 0 327.211 4.343 50 0 EIAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1nccs1 ZINC000065487967 564106377 /nfs/dbraw/zinc/10/63/77/564106377.db2.gz XSKLBCBFZRZOHI-UHFFFAOYSA-N 0 0 333.800 4.378 50 0 EIAARN COc1ccc(-c2nc(C(=O)N3CCC[C@H](C)CC3)cs2)cc1 ZINC000065493089 564106497 /nfs/dbraw/zinc/10/64/97/564106497.db2.gz IPSRJAQHRBIWAI-ZDUSSCGKSA-N 0 0 330.453 4.081 50 0 EIAARN O=C(C[C@@H]1C=CCC1)N[C@H](Cc1nccn1C(F)F)c1ccccc1 ZINC000065493955 564106515 /nfs/dbraw/zinc/10/65/15/564106515.db2.gz FZDKQGGTURVRMO-GDBMZVCRSA-N 0 0 345.393 4.035 50 0 EIAARN Cc1noc(C)c1CCC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000065515366 564106718 /nfs/dbraw/zinc/10/67/18/564106718.db2.gz POCHIXFXBFITRB-UHFFFAOYSA-N 0 0 346.475 4.112 50 0 EIAARN Cc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000007339443 564106943 /nfs/dbraw/zinc/10/69/43/564106943.db2.gz JEKNVCKEOPMVHE-UHFFFAOYSA-N 0 0 328.755 4.055 50 0 EIAARN CCN(C(=O)c1cccc(C)n1)[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000065531746 564107149 /nfs/dbraw/zinc/10/71/49/564107149.db2.gz IDXYEGSNTAULJR-HXUWFJFHSA-N 0 0 349.409 4.176 50 0 EIAARN CCn1c(=O)c2ccccc2nc1S[C@@H](C)c1cccc(F)c1 ZINC000065542503 564107326 /nfs/dbraw/zinc/10/73/26/564107326.db2.gz GBFWVXAHJMMVSX-LBPRGKRZSA-N 0 0 328.412 4.409 50 0 EIAARN CN(C)C(=O)Sc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000065547508 564107361 /nfs/dbraw/zinc/10/73/61/564107361.db2.gz BVZXWSUPMNFUQW-UHFFFAOYSA-N 0 0 346.477 4.191 50 0 EIAARN Cc1cnn(CC2CC2)c1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000065621206 564108458 /nfs/dbraw/zinc/10/84/58/564108458.db2.gz NKDBBOBXHNAEFQ-UHFFFAOYSA-N 0 0 348.406 4.041 50 0 EIAARN CCCCc1nnc(-c2cc3ccccc3n2Cc2cccnc2)o1 ZINC000007453101 564108636 /nfs/dbraw/zinc/10/86/36/564108636.db2.gz VIIRTHAQYGHDOY-UHFFFAOYSA-N 0 0 332.407 4.477 50 0 EIAARN CSc1cccc(Nc2ncc(F)c(N3CCC(C)CC3)n2)c1 ZINC000007460655 564108655 /nfs/dbraw/zinc/10/86/55/564108655.db2.gz KNCCJYKWLXAINH-UHFFFAOYSA-N 0 0 332.448 4.318 50 0 EIAARN CC[C@@H]1CCCC[C@H]1Nc1cccc(C[S@@](=O)C2CCOCC2)c1 ZINC000170593314 564108941 /nfs/dbraw/zinc/10/89/41/564108941.db2.gz KPYLRJIKRKUVRS-WSCWJOSJSA-N 0 0 349.540 4.495 50 0 EIAARN Cc1ccc([C@@H]2CCCN2C(=O)c2cc(CC(C)C)n[nH]2)cc1C ZINC000170594131 564109005 /nfs/dbraw/zinc/10/90/05/564109005.db2.gz LKCZLWWTIJZAID-IBGZPJMESA-N 0 0 325.456 4.202 50 0 EIAARN Cc1nc(CO[C@H]2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 ZINC000170599807 564109259 /nfs/dbraw/zinc/10/92/59/564109259.db2.gz GLUPPYLBLSRCQS-WFASDCNBSA-N 0 0 349.500 4.089 50 0 EIAARN CCOC(COc1ccccc1CN(CC)Cc1ccoc1)OCC ZINC000170601666 564109383 /nfs/dbraw/zinc/10/93/83/564109383.db2.gz LFVNGVNMKBSPBH-UHFFFAOYSA-N 0 0 347.455 4.080 50 0 EIAARN C[C@H](OCc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000170604751 564109524 /nfs/dbraw/zinc/10/95/24/564109524.db2.gz PCHMLULVPWRESZ-KGLIPLIRSA-N 0 0 329.827 4.223 50 0 EIAARN O=C(NCc1nc2cccnc2[nH]1)N(c1ccccc1)c1ccccc1 ZINC000170606645 564109639 /nfs/dbraw/zinc/10/96/39/564109639.db2.gz PDMYSYVWIGFWDL-UHFFFAOYSA-N 0 0 343.390 4.006 50 0 EIAARN Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000007524281 564109797 /nfs/dbraw/zinc/10/97/97/564109797.db2.gz NSLNLFGWYAIHJC-INIZCTEOSA-N 0 0 328.431 4.382 50 0 EIAARN Cc1cc(C)c(CSCC(=O)N2CCO[C@H]3CCCC[C@H]32)c(C)c1 ZINC000170615350 564109985 /nfs/dbraw/zinc/10/99/85/564109985.db2.gz QUUWFBLDGZAGRN-MOPGFXCFSA-N 0 0 347.524 4.015 50 0 EIAARN Cc1cc(N[C@@H](C)C(c2ccccc2)c2ccccc2)n2ncnc2n1 ZINC000170618088 564110084 /nfs/dbraw/zinc/11/00/84/564110084.db2.gz OOSWQSMVCDCQOV-INIZCTEOSA-N 0 0 343.434 4.065 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccccc2-n2ccnc2C)C1(C)C ZINC000065739917 564110318 /nfs/dbraw/zinc/11/03/18/564110318.db2.gz ONHDZISBUHMLLJ-HKUYNNGSSA-N 0 0 337.467 4.035 50 0 EIAARN O=C(CNc1ccc(F)cc1F)Nc1ccc(N2CCCCC2)cc1 ZINC000009882447 564110802 /nfs/dbraw/zinc/11/08/02/564110802.db2.gz XJOIHJDAMSISHL-UHFFFAOYSA-N 0 0 345.393 4.006 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)n[nH]1 ZINC000042653683 564111061 /nfs/dbraw/zinc/11/10/61/564111061.db2.gz RUQDGSMWCUHIAI-UHFFFAOYSA-N 0 0 328.375 4.186 50 0 EIAARN CC(C)CC(=O)Nc1ccccc1C1CCN(C(=O)CC(C)C)CC1 ZINC000192990756 564111686 /nfs/dbraw/zinc/11/16/86/564111686.db2.gz KPRMTYOZRWGWKA-UHFFFAOYSA-N 0 0 344.499 4.423 50 0 EIAARN Cc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000014155322 564112271 /nfs/dbraw/zinc/11/22/71/564112271.db2.gz SZUATMFOVFUOPK-UHFFFAOYSA-N 0 0 337.847 4.337 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)c1ccccc1OC(F)F ZINC000014626073 564112610 /nfs/dbraw/zinc/11/26/10/564112610.db2.gz WVHJYHUUVRJGBT-UHFFFAOYSA-N 0 0 345.349 4.300 50 0 EIAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)CC(F)(F)F ZINC000089589089 564112648 /nfs/dbraw/zinc/11/26/48/564112648.db2.gz IMVFWAZSSBGTFQ-UHFFFAOYSA-N 0 0 332.322 4.233 50 0 EIAARN CCc1cccc(OCC(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000016724582 564112824 /nfs/dbraw/zinc/11/28/24/564112824.db2.gz SMMMEJIQVFSPRP-UHFFFAOYSA-N 0 0 339.313 4.165 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)C3CCCCC3)cc2)cs1 ZINC000014673363 564113189 /nfs/dbraw/zinc/11/31/89/564113189.db2.gz DMVLOEBCJCCQOO-UHFFFAOYSA-N 0 0 328.481 4.358 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000089768099 564113615 /nfs/dbraw/zinc/11/36/15/564113615.db2.gz RLQXYMSQSLMRSA-KFWWJZLASA-N 0 0 349.421 4.066 50 0 EIAARN O=C(Nc1nc(Cl)ccc1Cl)c1cccc(Br)c1 ZINC000089774387 564113636 /nfs/dbraw/zinc/11/36/36/564113636.db2.gz CDULLMCRWYWAFB-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000007572410 564113652 /nfs/dbraw/zinc/11/36/52/564113652.db2.gz CTGXMHICWPNUGK-UHFFFAOYSA-N 0 0 337.467 4.338 50 0 EIAARN O=C(Cc1csc(Nc2ccccc2)n1)N1CCc2ccccc21 ZINC000016850085 564113910 /nfs/dbraw/zinc/11/39/10/564113910.db2.gz UYGPRPLHHUGTON-UHFFFAOYSA-N 0 0 335.432 4.019 50 0 EIAARN FC(F)(F)Cn1ccnc1CN1CCC(=Cc2ccccc2)CC1 ZINC000089828179 564114108 /nfs/dbraw/zinc/11/41/08/564114108.db2.gz UCRXQIDKMJPWBG-UHFFFAOYSA-N 0 0 335.373 4.125 50 0 EIAARN O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ncoc1-c1cccs1 ZINC000076017341 564114327 /nfs/dbraw/zinc/11/43/27/564114327.db2.gz RSGVIRQXPWPROJ-UHFFFAOYSA-N 0 0 336.376 4.046 50 0 EIAARN C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000089894251 564114971 /nfs/dbraw/zinc/11/49/71/564114971.db2.gz OBIJBSBNZJHLAJ-HZPDHXFCSA-N 0 0 340.423 4.104 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nn1 ZINC000089913521 564115178 /nfs/dbraw/zinc/11/51/78/564115178.db2.gz KCIYPNPHESSDIQ-CYBMUJFWSA-N 0 0 349.419 4.171 50 0 EIAARN CCCc1ccc(C(=O)N(C)Cc2c(C)nc3sc(C)cn32)cc1 ZINC000089960448 564115857 /nfs/dbraw/zinc/11/58/57/564115857.db2.gz KQBJNCPBJHYUPD-UHFFFAOYSA-N 0 0 341.480 4.237 50 0 EIAARN COc1ccc(CCc2nc(-c3cc(Cl)ccc3OC)no2)cc1 ZINC000017071941 564116394 /nfs/dbraw/zinc/11/63/94/564116394.db2.gz KXYHXZYZDAVEAE-UHFFFAOYSA-N 0 0 344.798 4.192 50 0 EIAARN S=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccncc1 ZINC000000528807 564116767 /nfs/dbraw/zinc/11/67/67/564116767.db2.gz VUUBJAKPCRJJSU-UHFFFAOYSA-N 0 0 333.460 4.481 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1 ZINC000001050718 564116815 /nfs/dbraw/zinc/11/68/15/564116815.db2.gz RKUKTLFVBOCIGM-UHFFFAOYSA-N 0 0 336.435 4.310 50 0 EIAARN CC(=O)Nc1cccc(OCc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC000001078439 564116827 /nfs/dbraw/zinc/11/68/27/564116827.db2.gz TXRZKMDUSODLTI-UHFFFAOYSA-N 0 0 345.398 4.455 50 0 EIAARN O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1ccccc1)c1ccccc1 ZINC000002875696 564117097 /nfs/dbraw/zinc/11/70/97/564117097.db2.gz SBJFBNCYLLCAJF-ROUUACIJSA-N 0 0 347.505 4.068 50 0 EIAARN Cc1cccn2cc(CNC(=O)[C@H]3C[C@@H]3c3ccc(C(C)C)cc3)nc12 ZINC000170636893 564117324 /nfs/dbraw/zinc/11/73/24/564117324.db2.gz BZNQECARXFWASC-UXHICEINSA-N 0 0 347.462 4.186 50 0 EIAARN Cc1cccn2cc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(C(C)C)cc3)nc12 ZINC000170636892 564117340 /nfs/dbraw/zinc/11/73/40/564117340.db2.gz BZNQECARXFWASC-WOJBJXKFSA-N 0 0 347.462 4.186 50 0 EIAARN FC(F)(F)COc1ccc(CNc2ncnc3ccccc32)cc1 ZINC000170638086 564117491 /nfs/dbraw/zinc/11/74/91/564117491.db2.gz WLJWRUMFTQSTHR-UHFFFAOYSA-N 0 0 333.313 4.183 50 0 EIAARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(F)(F)F ZINC000007587716 564117984 /nfs/dbraw/zinc/11/79/84/564117984.db2.gz GGEMQDSZHYOLBE-GFCCVEGCSA-N 0 0 334.341 4.095 50 0 EIAARN Cc1cccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)c1 ZINC000002112986 564118050 /nfs/dbraw/zinc/11/80/50/564118050.db2.gz VGZXAVSNLYDTEM-UHFFFAOYSA-N 0 0 335.403 4.383 50 0 biogenic EIAARN O=C(/C=C/c1ccccc1Cl)NC[C@@H]1CCCN1c1ccccc1 ZINC000207991049 564118421 /nfs/dbraw/zinc/11/84/21/564118421.db2.gz JGSYMKHPEZKPPA-HHNLSAEISA-N 0 0 340.854 4.138 50 0 EIAARN Cc1ccc(C)c(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1 ZINC000002123859 564118464 /nfs/dbraw/zinc/11/84/64/564118464.db2.gz XDFJOSVHLQDONL-UHFFFAOYSA-N 0 0 347.414 4.255 50 0 biogenic EIAARN C[C@H](NCc1sccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000193132388 564118533 /nfs/dbraw/zinc/11/85/33/564118533.db2.gz QRMWVVZDDHGMET-VIFPVBQESA-N 0 0 337.807 4.441 50 0 EIAARN CC(=O)Nc1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000252480883 564119219 /nfs/dbraw/zinc/11/92/19/564119219.db2.gz CFXIKBNOKFGONL-UHFFFAOYSA-N 0 0 345.811 4.160 50 0 EIAARN Cc1csc([C@H](C)NC(=O)Nc2cccc3c2OC(C)(C)C3)n1 ZINC000252484326 564119248 /nfs/dbraw/zinc/11/92/48/564119248.db2.gz FUIXHZDCTQJHMX-NSHDSACASA-N 0 0 331.441 4.048 50 0 EIAARN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCC[C@@H]1C1CCC1 ZINC000252483657 564119289 /nfs/dbraw/zinc/11/92/89/564119289.db2.gz FGPFADCNRCOFKH-CQSZACIVSA-N 0 0 347.365 4.079 50 0 EIAARN O=C(c1cc2ccccc2[nH]1)N1CCS[C@H](c2ccccc2)CC1 ZINC000208039188 564119525 /nfs/dbraw/zinc/11/95/25/564119525.db2.gz CCIYZGLUMGWPQL-IBGZPJMESA-N 0 0 336.460 4.488 50 0 EIAARN CC(C)[C@@H](NC(=O)c1ccc2ccn(C)c2c1)c1nc2ccccc2[nH]1 ZINC000252491261 564119536 /nfs/dbraw/zinc/11/95/36/564119536.db2.gz LJWYWTKUEKESOE-LJQANCHMSA-N 0 0 346.434 4.182 50 0 EIAARN CCOc1cccc2[nH]cc(CCNC(=O)Nc3cscc3C)c21 ZINC000252490872 564119553 /nfs/dbraw/zinc/11/95/53/564119553.db2.gz LDNWWJFZMFPAHB-UHFFFAOYSA-N 0 0 343.452 4.301 50 0 EIAARN O=C(NCCCCc1ccc(Cl)s1)[C@H]1C[C@@H]1c1cccnc1 ZINC000252500232 564119742 /nfs/dbraw/zinc/11/97/42/564119742.db2.gz SPVFYESNXFYTHB-CABCVRRESA-N 0 0 334.872 4.039 50 0 EIAARN Clc1cccc(CSc2nnc(-c3cccnc3)n2C2CC2)n1 ZINC000170644067 564120073 /nfs/dbraw/zinc/12/00/73/564120073.db2.gz VJEYIFKJSJCCCS-UHFFFAOYSA-N 0 0 343.843 4.016 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]32)C1 ZINC000252517498 564120293 /nfs/dbraw/zinc/12/02/93/564120293.db2.gz KCXUMZXWLRGXME-HHJYJZFGSA-N 0 0 348.483 4.256 50 0 EIAARN Cc1nnc(S[C@@H](C)c2nc3ccccc3n2C(F)F)s1 ZINC000054679845 564120688 /nfs/dbraw/zinc/12/06/88/564120688.db2.gz WOHAXCOAWMLDOL-ZETCQYMHSA-N 0 0 326.397 4.445 50 0 EIAARN C[C@H](NC(=O)[C@@H]1CCCN1c1ccccc1)c1ccccc1Cl ZINC000252571296 564120784 /nfs/dbraw/zinc/12/07/84/564120784.db2.gz XRPBSMHGDOZYBZ-KSSFIOAISA-N 0 0 328.843 4.186 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)cc1 ZINC000002200500 564120902 /nfs/dbraw/zinc/12/09/02/564120902.db2.gz JBYGUWLTBNNDCH-KRWDZBQOSA-N 0 0 348.229 4.343 50 0 EIAARN O=S(=O)(C1=Cc2ccccc2CC1)N(Cc1ccsc1)C1CC1 ZINC000065794551 564120922 /nfs/dbraw/zinc/12/09/22/564120922.db2.gz JQGIJAROBKRLGX-UHFFFAOYSA-N 0 0 345.489 4.030 50 0 EIAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2cccc(F)c2)CO1 ZINC000002201814 564120943 /nfs/dbraw/zinc/12/09/43/564120943.db2.gz PFIBIXAFCZDZAP-UHFFFAOYSA-N 0 0 339.366 4.241 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccc(F)cc1 ZINC000007637096 564121370 /nfs/dbraw/zinc/12/13/70/564121370.db2.gz DXNKYHKUYQQWED-UHFFFAOYSA-N 0 0 338.429 4.100 50 0 EIAARN COc1ccc(CN(C)[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000007652793 564121564 /nfs/dbraw/zinc/12/15/64/564121564.db2.gz UWILENBWJHMEIQ-HNNXBMFYSA-N 0 0 336.435 4.188 50 0 EIAARN CCOc1ccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000007687044 564121929 /nfs/dbraw/zinc/12/19/29/564121929.db2.gz ACHSMKXLETYGHO-UHFFFAOYSA-N 0 0 340.467 4.081 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cn(C)c2ccccc12 ZINC000007702606 564122119 /nfs/dbraw/zinc/12/21/19/564122119.db2.gz YVPNNXQDNXBDHH-UHFFFAOYSA-N 0 0 346.386 4.008 50 0 EIAARN O=C(Cc1ccsc1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000007723911 564122240 /nfs/dbraw/zinc/12/22/40/564122240.db2.gz GFABWUKMXIPDAA-UHFFFAOYSA-N 0 0 336.388 4.331 50 0 EIAARN O=C(Cc1ccccc1F)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000007725413 564122292 /nfs/dbraw/zinc/12/22/92/564122292.db2.gz HXCQSYHTNHTXTG-UHFFFAOYSA-N 0 0 337.398 4.083 50 0 EIAARN c1ccc(COc2ccc(CN3CCOc4ccccc43)cc2)nc1 ZINC000065950250 564122475 /nfs/dbraw/zinc/12/24/75/564122475.db2.gz PCJBNNLOVLAZID-UHFFFAOYSA-N 0 0 332.403 4.060 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000007738261 564122494 /nfs/dbraw/zinc/12/24/94/564122494.db2.gz VSMAGEJHZQAIMX-UHFFFAOYSA-N 0 0 332.363 4.087 50 0 EIAARN c1cn(Cc2ccc(-c3ccccc3CNc3cnccn3)cc2)cn1 ZINC000301210657 564122562 /nfs/dbraw/zinc/12/25/62/564122562.db2.gz UVOFCWPGNJDIPP-UHFFFAOYSA-N 0 0 341.418 4.001 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1Cl ZINC000007750030 564122595 /nfs/dbraw/zinc/12/25/95/564122595.db2.gz MLRZSLSATXLQOM-SFHVURJKSA-N 0 0 340.810 4.243 50 0 EIAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)c1 ZINC000007757708 564122731 /nfs/dbraw/zinc/12/27/31/564122731.db2.gz LDFGXMGUHOJFKL-GFCCVEGCSA-N 0 0 344.436 4.122 50 0 EIAARN O=C(CCCOc1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000007777354 564123007 /nfs/dbraw/zinc/12/30/07/564123007.db2.gz PLFCPMNFUCQPSC-QGZVFWFLSA-N 0 0 327.449 4.199 50 0 EIAARN COc1cccc(-c2noc(COc3ccc(Cl)cc3C)n2)c1 ZINC000007781341 564123240 /nfs/dbraw/zinc/12/32/40/564123240.db2.gz ALUZKARPFKKTDC-UHFFFAOYSA-N 0 0 330.771 4.286 50 0 EIAARN COc1ccccc1-n1c(-c2ccc(C)cc2)nc2ccccc2c1=O ZINC000002217116 564123530 /nfs/dbraw/zinc/12/35/30/564123530.db2.gz MRQNUCNKQICMBO-UHFFFAOYSA-N 0 0 342.398 4.370 50 0 EIAARN C[S@@](=O)Cc1cc(NCc2cccc(F)c2F)ccc1Cl ZINC000195559122 564123828 /nfs/dbraw/zinc/12/38/28/564123828.db2.gz PHOXIYGXYHBPPW-OAQYLSRUSA-N 0 0 329.799 4.109 50 0 EIAARN COc1ccc(C)cc1CNc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000195559003 564123832 /nfs/dbraw/zinc/12/38/32/564123832.db2.gz LSLXQXJJQMHESI-JOCHJYFZSA-N 0 0 337.872 4.148 50 0 EIAARN Cc1oc(-c2ccsc2)nc1C[S@](=O)CCc1cccs1 ZINC000195579382 564123934 /nfs/dbraw/zinc/12/39/34/564123934.db2.gz TZWMQXIQUSKLKC-OAQYLSRUSA-N 0 0 337.491 4.264 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)n[nH]1 ZINC000195588724 564123963 /nfs/dbraw/zinc/12/39/63/564123963.db2.gz UNZYRFUGNBQYBN-UHFFFAOYSA-N 0 0 346.434 4.231 50 0 EIAARN Cc1nc2sc3c(c2c2nc(-c4ccncc4)nn21)[C@H](C)CCC3 ZINC000002223128 564124048 /nfs/dbraw/zinc/12/40/48/564124048.db2.gz PGDTZSCUJCTYIW-SNVBAGLBSA-N 0 0 335.436 4.149 50 0 EIAARN COc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000007844221 564124182 /nfs/dbraw/zinc/12/41/82/564124182.db2.gz QSLRQOMGANNNMO-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccc(OC(F)F)cc2)N1C1CC1 ZINC000007886036 564124408 /nfs/dbraw/zinc/12/44/08/564124408.db2.gz RXCNKZKENANXIV-MRXNPFEDSA-N 0 0 330.334 4.017 50 0 EIAARN O=C1c2ccccc2N[C@H](c2cc(Br)cs2)N1C1CC1 ZINC000007886111 564124421 /nfs/dbraw/zinc/12/44/21/564124421.db2.gz GCZZFKTUJVYORR-AWEZNQCLSA-N 0 0 349.253 4.240 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2F)c1C ZINC000087190546 564124566 /nfs/dbraw/zinc/12/45/66/564124566.db2.gz FEZDRKCCWOUHIM-UHFFFAOYSA-N 0 0 346.377 4.193 50 0 EIAARN O=C(Nc1ccccc1-n1cccc1)c1ccccc1Br ZINC000000608497 564124969 /nfs/dbraw/zinc/12/49/69/564124969.db2.gz WBVQQQMJHWNGAS-UHFFFAOYSA-N 0 0 341.208 4.492 50 0 EIAARN COC(=O)c1sc2ccccc2c1NC(=O)CCc1ccccc1 ZINC000003893255 564125071 /nfs/dbraw/zinc/12/50/71/564125071.db2.gz FLZTZXJVQYKHQN-UHFFFAOYSA-N 0 0 339.416 4.259 50 0 EIAARN COc1ccc(/C=C2/SC(=N)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000003901478 564125074 /nfs/dbraw/zinc/12/50/74/564125074.db2.gz DURNUFXUOGQRPD-OEQLELKQSA-N 0 0 338.432 4.368 50 0 EIAARN CCCc1cc(=O)oc2cc(Oc3nc([C@H](C)OC)ns3)ccc12 ZINC000253396549 564130537 /nfs/dbraw/zinc/13/05/37/564130537.db2.gz CUGNAQYKVNGWGZ-JTQLQIEISA-N 0 0 346.408 4.097 50 0 EIAARN C[C@H](O)c1ncc(C(=O)Nc2cccc(Nc3ccccc3)c2)s1 ZINC000253404295 564130628 /nfs/dbraw/zinc/13/06/28/564130628.db2.gz ILBSJTZTJDPWJG-LBPRGKRZSA-N 0 0 339.420 4.192 50 0 EIAARN Cn1ccc2ccc(C(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)cc21 ZINC000253412045 564130705 /nfs/dbraw/zinc/13/07/05/564130705.db2.gz PSILJCBBADSAME-LJQANCHMSA-N 0 0 343.430 4.467 50 0 EIAARN O=C(Nc1ccc(-c2ccco2)cc1F)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000253432012 564131772 /nfs/dbraw/zinc/13/17/72/564131772.db2.gz ILWULWURFSINEV-RDTXWAMCSA-N 0 0 344.386 4.165 50 0 EIAARN Cc1nc([C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)no1 ZINC000253433187 564131878 /nfs/dbraw/zinc/13/18/78/564131878.db2.gz SYZBYJDISOKIEO-SSDOTTSWSA-N 0 0 340.330 4.193 50 0 EIAARN CCOCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000002348395 564132572 /nfs/dbraw/zinc/13/25/72/564132572.db2.gz AWDHRJVPQLIVHJ-UHFFFAOYSA-N 0 0 330.815 4.305 50 0 EIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000253472857 564132661 /nfs/dbraw/zinc/13/26/61/564132661.db2.gz QCVCWPKUBNBVCT-AWEZNQCLSA-N 0 0 337.394 4.351 50 0 EIAARN Cc1cc2[nH]c(C(=O)N3CCC(Oc4ccccc4)CC3)cc2c(C)c1 ZINC000055976269 564132688 /nfs/dbraw/zinc/13/26/88/564132688.db2.gz NHTKQFPTNYBARX-UHFFFAOYSA-N 0 0 348.446 4.468 50 0 EIAARN O=C(Nc1cccc(Cl)c1Cl)N(C[C@@H]1CCOC1)C1CC1 ZINC000123074411 564132936 /nfs/dbraw/zinc/13/29/36/564132936.db2.gz MRHJWKVIFIBIOX-JTQLQIEISA-N 0 0 329.227 4.026 50 0 EIAARN COC(=O)/C(=C1/Oc2ccc(C(C)(C)C)cc2S1)C(F)(F)F ZINC000002372846 564133877 /nfs/dbraw/zinc/13/38/77/564133877.db2.gz LZCMVWMVDAPPAT-ACCUITESSA-N 0 0 332.343 4.416 50 0 EIAARN C[C@@H](NC(=O)c1ccc(Cl)o1)c1cccc(Br)c1 ZINC000027736853 564134329 /nfs/dbraw/zinc/13/43/29/564134329.db2.gz PAGIOLLQPLRSLA-MRVPVSSYSA-N 0 0 328.593 4.187 50 0 EIAARN CN(C(=O)c1ccc(Br)s1)[C@H]1CCc2ccccc21 ZINC000027819376 564134795 /nfs/dbraw/zinc/13/47/95/564134795.db2.gz ODMSQTIOQJXZDU-LBPRGKRZSA-N 0 0 336.254 4.270 50 0 EIAARN CCCCn1nc(NC(=O)c2cccnc2)c2cc3ccccc3nc21 ZINC000002424221 564134928 /nfs/dbraw/zinc/13/49/28/564134928.db2.gz CRMHIYIVFLXIDO-UHFFFAOYSA-N 0 0 345.406 4.032 50 0 EIAARN Fc1ccc(-c2noc(-c3ncoc3[C@@H]3CCCO3)n2)c(Cl)c1 ZINC000225466834 564134981 /nfs/dbraw/zinc/13/49/81/564134981.db2.gz WKUSUEXUDLYKBQ-NSHDSACASA-N 0 0 335.722 4.036 50 0 EIAARN CCN(C(=O)c1ccc(C2SCCS2)cc1)c1ccncc1 ZINC000117664528 564135532 /nfs/dbraw/zinc/13/55/32/564135532.db2.gz ZRGUQVHSIZJMDI-UHFFFAOYSA-N 0 0 330.478 4.227 50 0 EIAARN COC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)[C@H](C)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012879771 564135658 /nfs/dbraw/zinc/13/56/58/564135658.db2.gz VBAOKHVYDOQJSK-AOHWMNNHSA-N 0 0 348.527 4.222 50 0 biogenic EIAARN Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)nn1-c1ccccc1 ZINC000078760564 564137105 /nfs/dbraw/zinc/13/71/05/564137105.db2.gz MALSWKRVRXMZBE-UHFFFAOYSA-N 0 0 345.324 4.452 50 0 EIAARN Cc1c2cc(F)ccc2oc1[C@@H](C)NC(=O)N(C)Cc1nccs1 ZINC000078967793 564137480 /nfs/dbraw/zinc/13/74/80/564137480.db2.gz CTNGWNNMKUNKOA-LLVKDONJSA-N 0 0 347.415 4.239 50 0 EIAARN CC(C)COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cn1 ZINC000079049873 564137741 /nfs/dbraw/zinc/13/77/41/564137741.db2.gz KJGTXWIWHNUKGJ-VQIMIIECSA-N 0 0 338.451 4.135 50 0 EIAARN C[C@@H](N(C)C(=O)CCCc1ncc(-c2ccccc2)o1)C1(C)CC1 ZINC000079053871 564137758 /nfs/dbraw/zinc/13/77/58/564137758.db2.gz JLQPNBYAZZHAMP-OAHLLOKOSA-N 0 0 326.440 4.311 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1ccnc(Br)c1 ZINC000079096972 564137867 /nfs/dbraw/zinc/13/78/67/564137867.db2.gz JJVHUXLPPMSYMI-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN O=C(NCc1ncoc1-c1ccccc1)Nc1cccc2cccnc21 ZINC000079100328 564137872 /nfs/dbraw/zinc/13/78/72/564137872.db2.gz VXWBQISNSHLSPR-UHFFFAOYSA-N 0 0 344.374 4.212 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)NCc3ncccc3C)cc2)nc1 ZINC000079101754 564137878 /nfs/dbraw/zinc/13/78/78/564137878.db2.gz NPZGQOXGJKGPGI-UHFFFAOYSA-N 0 0 348.406 4.207 50 0 EIAARN CC(=O)Nc1cc(NC(=O)N(C2CC2)C2CCCCC2)ccc1F ZINC000079104170 564137895 /nfs/dbraw/zinc/13/78/95/564137895.db2.gz NNYUTUOGWNXZLD-UHFFFAOYSA-N 0 0 333.407 4.113 50 0 EIAARN C[S@](=O)Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000079361074 564138141 /nfs/dbraw/zinc/13/81/41/564138141.db2.gz FQXFYMIMRNAKOP-OAQYLSRUSA-N 0 0 342.247 4.124 50 0 EIAARN COc1ccc([C@H]2CCCCCN2C(=O)CCC(F)(F)F)cc1 ZINC000079372824 564138188 /nfs/dbraw/zinc/13/81/88/564138188.db2.gz FZVCQDUAJOURFW-OAHLLOKOSA-N 0 0 329.362 4.481 50 0 EIAARN Cc1cccnc1[C@@H]1CCC[C@@H](Nc2cccc(C[S@](C)=O)c2)C1 ZINC000390834476 564138972 /nfs/dbraw/zinc/13/89/72/564138972.db2.gz ZMKSZCBQXQCCAS-YJLYGGOZSA-N 0 0 342.508 4.407 50 0 EIAARN C[C@H]1CN(c2ccc(Nc3nc4ccccc4s3)cn2)C[C@H](C)O1 ZINC000095356642 564139263 /nfs/dbraw/zinc/13/92/63/564139263.db2.gz VTCQGSQXOSMQPX-STQMWFEESA-N 0 0 340.452 4.049 50 0 EIAARN CN(Cc1ccc(O)cc1)C(=O)c1ccccc1Oc1ccccc1 ZINC000095356896 564139297 /nfs/dbraw/zinc/13/92/97/564139297.db2.gz IYTGKWOEFQNDNK-UHFFFAOYSA-N 0 0 333.387 4.457 50 0 EIAARN Cc1nc2cc(F)cc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)c2nc1C ZINC000095364757 564139322 /nfs/dbraw/zinc/13/93/22/564139322.db2.gz BIZQXKIHXMVZRG-KBXCAEBGSA-N 0 0 341.430 4.181 50 0 EIAARN O=C(Nc1cccc2ccccc21)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000080344726 564139374 /nfs/dbraw/zinc/13/93/74/564139374.db2.gz ZDEABBAHRCGTOK-QZTJIDSGSA-N 0 0 345.398 4.353 50 0 EIAARN C[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000095419550 564139873 /nfs/dbraw/zinc/13/98/73/564139873.db2.gz VKEZCWVNJAYVBW-KKSFZXQISA-N 0 0 344.418 4.301 50 0 EIAARN CC(C)c1cc(CN[C@@H](C)c2ccc(F)cc2OC(F)F)on1 ZINC000095422475 564140099 /nfs/dbraw/zinc/14/00/99/564140099.db2.gz WVFITHAFPKHLKJ-JTQLQIEISA-N 0 0 328.334 4.389 50 0 EIAARN CC(=O)c1csc(C(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)c1 ZINC000095427175 564140227 /nfs/dbraw/zinc/14/02/27/564140227.db2.gz RVQUKJIICZNRKR-UHFFFAOYSA-N 0 0 341.392 4.027 50 0 EIAARN Cc1cc(OCC(=O)N[C@H](C)c2cccs2)c2cccc(F)c2n1 ZINC000095427507 564140230 /nfs/dbraw/zinc/14/02/30/564140230.db2.gz FIMAHUWOQXQXPW-GFCCVEGCSA-N 0 0 344.411 4.000 50 0 EIAARN CC(C)c1nc(CNc2ccccc2OCCn2ccnc2)cs1 ZINC000095428816 564140275 /nfs/dbraw/zinc/14/02/75/564140275.db2.gz CKIRIRGFRLLOTF-UHFFFAOYSA-N 0 0 342.468 4.154 50 0 EIAARN OCc1ccc(CNc2cccc(CSc3ccccn3)c2)o1 ZINC000095428859 564140288 /nfs/dbraw/zinc/14/02/88/564140288.db2.gz CARPDWJGGRZAJK-UHFFFAOYSA-N 0 0 326.421 4.071 50 0 EIAARN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000095431755 564140348 /nfs/dbraw/zinc/14/03/48/564140348.db2.gz XVLRPJMLOASMTM-HNNXBMFYSA-N 0 0 325.408 4.329 50 0 EIAARN CC(C)(COC(=O)c1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000095444283 564140540 /nfs/dbraw/zinc/14/05/40/564140540.db2.gz WALAZFPJXZPBMK-UHFFFAOYSA-N 0 0 338.432 4.340 50 0 EIAARN C[C@@H](NC(=O)c1cnoc1-c1ccccc1)C(C)(C)c1ccccc1 ZINC000095451519 564140600 /nfs/dbraw/zinc/14/06/00/564140600.db2.gz ZDSRQEJKXNKODZ-OAHLLOKOSA-N 0 0 334.419 4.438 50 0 EIAARN COc1ccc(CCNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 ZINC000095460767 564140799 /nfs/dbraw/zinc/14/07/99/564140799.db2.gz QDLHRXZHSJYUTK-UHFFFAOYSA-N 0 0 335.407 4.055 50 0 EIAARN O=C1CS[C@H](c2ccccc2)c2cnn(-c3ccccc3F)c2N1 ZINC000095479428 564141535 /nfs/dbraw/zinc/14/15/35/564141535.db2.gz NVZOXARXYIZKDW-QGZVFWFLSA-N 0 0 339.395 4.436 50 0 EIAARN Cc1ccn2cc(C(=O)NC3CCC(c4ccccc4)CC3)nc2c1 ZINC000095948648 564142286 /nfs/dbraw/zinc/14/22/86/564142286.db2.gz CLSQNGHCZHSNTO-UHFFFAOYSA-N 0 0 333.435 4.099 50 0 EIAARN C[C@H]1CCCCCN1C(=O)CCCCC(=O)N1CCCCC[C@@H]1C ZINC000095959727 564142654 /nfs/dbraw/zinc/14/26/54/564142654.db2.gz JBPNRYYRNSOQNA-ROUUACIJSA-N 0 0 336.520 4.129 50 0 EIAARN Cc1cccc([C@H](C)C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000095984400 564143845 /nfs/dbraw/zinc/14/38/45/564143845.db2.gz QRZQNBYBRDEBLP-ZOCIIQOWSA-N 0 0 343.854 4.398 50 0 EIAARN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NCCOC(C)(C)C ZINC000095992782 564144167 /nfs/dbraw/zinc/14/41/67/564144167.db2.gz FSCKSJUCWQLJAG-IYBDPMFKSA-N 0 0 346.515 4.340 50 0 EIAARN Cc1noc(C)c1CNc1nnc(Cc2ccc3ccccc3c2)o1 ZINC000095992324 564144175 /nfs/dbraw/zinc/14/41/75/564144175.db2.gz ZZSHKDSHRABWBJ-UHFFFAOYSA-N 0 0 334.379 4.031 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C)c2)cc1Cl ZINC000096008691 564144630 /nfs/dbraw/zinc/14/46/30/564144630.db2.gz NTWYLKIKNJCFGP-UHFFFAOYSA-N 0 0 344.842 4.046 50 0 EIAARN CC(F)(F)CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000281822012 564145270 /nfs/dbraw/zinc/14/52/70/564145270.db2.gz LHTYICOOMPSCKI-OAHLLOKOSA-N 0 0 333.382 4.176 50 0 EIAARN CO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccccc1C ZINC000096104991 564145328 /nfs/dbraw/zinc/14/53/28/564145328.db2.gz QGEAFVUUZBRDJB-KRWDZBQOSA-N 0 0 343.492 4.372 50 0 EIAARN CC(=O)COc1ccc2occ(-c3ccc4c(c3)OCCCO4)c2c1 ZINC000096116574 564145448 /nfs/dbraw/zinc/14/54/48/564145448.db2.gz YGJLPRBEKLIWRK-UHFFFAOYSA-N 0 0 338.359 4.229 50 0 biogenic EIAARN Cc1noc(C)c1C(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000096118691 564145486 /nfs/dbraw/zinc/14/54/86/564145486.db2.gz DGSRMLCKRMCTDX-OAHLLOKOSA-N 0 0 343.814 4.234 50 0 EIAARN O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)[C@@H]1CC=CCC1 ZINC000096119702 564145521 /nfs/dbraw/zinc/14/55/21/564145521.db2.gz IEEWCCVETIYDGT-CQSZACIVSA-N 0 0 349.390 4.215 50 0 EIAARN CN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)[C@@H]1CCc2ccccc21 ZINC000096129819 564145745 /nfs/dbraw/zinc/14/57/45/564145745.db2.gz SBGQMHJUORCFEY-YXAHYSCSSA-N 0 0 343.430 4.031 50 0 EIAARN CC(=C/c1ccccc1)/C=C1\N=C(c2cc(F)cc(F)c2)OC1=O ZINC000096133939 564145777 /nfs/dbraw/zinc/14/57/77/564145777.db2.gz 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CCOc1ccc(-c2nc(NC(=O)c3cc(C)on3)sc2C)cc1 ZINC000008734573 564167107 /nfs/dbraw/zinc/16/71/07/564167107.db2.gz PGBXEOLZYIPNFI-UHFFFAOYSA-N 0 0 343.408 4.066 50 0 EIAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1Cl ZINC000008754296 564167356 /nfs/dbraw/zinc/16/73/56/564167356.db2.gz XMLUCPLZFVUDAR-UHFFFAOYSA-N 0 0 328.799 4.084 50 0 EIAARN Cc1ccc2oc(C(=O)Nc3ccc(Br)cc3)cc2n1 ZINC000008798644 564167463 /nfs/dbraw/zinc/16/74/63/564167463.db2.gz IGNVPXOLJDQTTD-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN O=C(CSc1ccc2ccccc2c1)NC(=O)NC1CCCCC1 ZINC000008855961 564167509 /nfs/dbraw/zinc/16/75/09/564167509.db2.gz IRCCQGAPGYFBCW-UHFFFAOYSA-N 0 0 342.464 4.090 50 0 EIAARN COc1ccc([C@@H](C)C(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC000068214018 564167540 /nfs/dbraw/zinc/16/75/40/564167540.db2.gz ZGPTTXXREIXJDY-OAHLLOKOSA-N 0 0 341.476 4.240 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000068560032 564167595 /nfs/dbraw/zinc/16/75/95/564167595.db2.gz QUROJAQEQROXKC-INIZCTEOSA-N 0 0 343.452 4.100 50 0 EIAARN O=C(Cc1cccc2ccccc21)NCCc1cccc2cccnc21 ZINC000039547972 564167607 /nfs/dbraw/zinc/16/76/07/564167607.db2.gz OQZQLJLLUCZBOP-UHFFFAOYSA-N 0 0 340.426 4.289 50 0 EIAARN Cc1c(C(=O)Oc2cccc3cccnc32)cnn1-c1ccccc1F ZINC000040047136 564167809 /nfs/dbraw/zinc/16/78/09/564167809.db2.gz HJYVGZBYFBIDEA-UHFFFAOYSA-N 0 0 347.349 4.087 50 0 EIAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccnn1C1CCCC1 ZINC000040062704 564167849 /nfs/dbraw/zinc/16/78/49/564167849.db2.gz QWWBANHAOMVRPC-UHFFFAOYSA-N 0 0 342.424 4.275 50 0 EIAARN Cc1ccc(NC(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000040072750 564167917 /nfs/dbraw/zinc/16/79/17/564167917.db2.gz QWXQSERQBRSHJL-KBPBESRZSA-N 0 0 330.350 4.007 50 0 EIAARN COc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1OC ZINC000040097641 564168016 /nfs/dbraw/zinc/16/80/16/564168016.db2.gz FUNVLZVQZCVWLM-UHFFFAOYSA-N 0 0 334.803 4.021 50 0 EIAARN Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@@H]1c1ccsc1)C2 ZINC000040107780 564168094 /nfs/dbraw/zinc/16/80/94/564168094.db2.gz AWCUMYVCIDUQKQ-NVXWUHKLSA-N 0 0 329.490 4.437 50 0 EIAARN C[C@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)c1ccncc1 ZINC000040130200 564168266 /nfs/dbraw/zinc/16/82/66/564168266.db2.gz HJAWOWNASCGDTN-HOTGVXAUSA-N 0 0 347.418 4.108 50 0 EIAARN CC(C)OCc1cccc(CNC(=O)C[C@H](C)c2ccccc2)c1 ZINC000040122276 564168271 /nfs/dbraw/zinc/16/82/71/564168271.db2.gz JZUOXZMDJJYRRL-KRWDZBQOSA-N 0 0 325.452 4.422 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1F)c1cc(F)cc(Br)c1 ZINC000040128440 564168280 /nfs/dbraw/zinc/16/82/80/564168280.db2.gz CCOUOHMYFGQXJR-UHFFFAOYSA-N 0 0 348.093 4.258 50 0 EIAARN Cc1cc([C@@H](C)NC(=O)c2ccc(N3CCC(C)=N3)cc2)c(C)s1 ZINC000040133383 564168307 /nfs/dbraw/zinc/16/83/07/564168307.db2.gz DZULMALFICLVED-CQSZACIVSA-N 0 0 341.480 4.442 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2F)oc2c1C(=O)CC(C)(C)C2 ZINC000040141148 564168334 /nfs/dbraw/zinc/16/83/34/564168334.db2.gz UQNFECCTRHPCOK-LBPRGKRZSA-N 0 0 343.398 4.373 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccncc2)ccc1C(C)C ZINC000040141040 564168344 /nfs/dbraw/zinc/16/83/44/564168344.db2.gz VMEPJMSFBRYCRM-CVEARBPZSA-N 0 0 326.440 4.158 50 0 EIAARN CCOC(=O)c1ccoc1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000040153631 564168402 /nfs/dbraw/zinc/16/84/02/564168402.db2.gz FEGVHDJJIHNBGC-UHFFFAOYSA-N 0 0 333.815 4.274 50 0 EIAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1noc2c1CCCC2 ZINC000040157123 564168431 /nfs/dbraw/zinc/16/84/31/564168431.db2.gz PXAGHCPYRKGHHK-LJQANCHMSA-N 0 0 346.430 4.267 50 0 EIAARN O=C(Cc1c(Cl)cccc1Cl)NCC1(c2ccccc2)CC1 ZINC000008988634 564168448 /nfs/dbraw/zinc/16/84/48/564168448.db2.gz WIGQAUMSBFKXQC-UHFFFAOYSA-N 0 0 334.246 4.384 50 0 EIAARN C[C@@H](NCc1cc(-c2ccccc2)co1)c1ccc2c(c1)NC(=O)CO2 ZINC000069157786 564168473 /nfs/dbraw/zinc/16/84/73/564168473.db2.gz XXDCEORFJBPEPC-CQSZACIVSA-N 0 0 348.402 4.128 50 0 EIAARN CCOc1ccc([C@@H]2NC(=S)N=C3c4ccccc4CCC32)cc1 ZINC000009012717 564168558 /nfs/dbraw/zinc/16/85/58/564168558.db2.gz PPFNPANBWYSGCR-SFHVURJKSA-N 0 0 336.460 4.373 50 0 EIAARN O=C1C[C@H](c2cccc(F)c2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040267159 564168618 /nfs/dbraw/zinc/16/86/18/564168618.db2.gz ZBTCGUSJPOFGHX-OAHLLOKOSA-N 0 0 325.318 4.274 50 0 EIAARN CO[C@@H](CNC(=O)c1ccccc1SC)c1cc2ccccc2o1 ZINC000245130880 564168648 /nfs/dbraw/zinc/16/86/48/564168648.db2.gz VCOUWOLXTZPGIP-KRWDZBQOSA-N 0 0 341.432 4.272 50 0 EIAARN C[C@@H]1CCN(C(=O)CSc2ccc(O)cc2)c2ccccc2S1 ZINC000069268677 564168704 /nfs/dbraw/zinc/16/87/04/564168704.db2.gz VCBYFPATSMDXLO-CYBMUJFWSA-N 0 0 345.489 4.402 50 0 EIAARN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000009115547 564169045 /nfs/dbraw/zinc/16/90/45/564169045.db2.gz FZLTUWIUQNVJIF-ZDUSSCGKSA-N 0 0 325.437 4.299 50 0 EIAARN CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(Cl)cc1 ZINC000009117983 564169067 /nfs/dbraw/zinc/16/90/67/564169067.db2.gz UFIZTWJIBVCPNH-GFCCVEGCSA-N 0 0 336.892 4.190 50 0 EIAARN CCc1nc2cc(NC(=O)Cc3csc(C(C)C)n3)ccc2o1 ZINC000069389923 564169109 /nfs/dbraw/zinc/16/91/09/564169109.db2.gz UAUGCZNTEPVOJB-UHFFFAOYSA-N 0 0 329.425 4.151 50 0 EIAARN CCc1noc(C)c1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000069415261 564169192 /nfs/dbraw/zinc/16/91/92/564169192.db2.gz OWRSFMGBJOUDJJ-UHFFFAOYSA-N 0 0 337.423 4.047 50 0 EIAARN O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000040478268 564169786 /nfs/dbraw/zinc/16/97/86/564169786.db2.gz HNRYFDKFKLDXPL-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN COc1cccc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 ZINC000040485141 564169928 /nfs/dbraw/zinc/16/99/28/564169928.db2.gz LXKCKLXCMRVZFM-SFHVURJKSA-N 0 0 335.407 4.082 50 0 EIAARN Cc1ccc(-c2nc(S[C@@H](C)c3nc(C(C)C)no3)n[nH]2)cc1 ZINC000040496517 564169968 /nfs/dbraw/zinc/16/99/68/564169968.db2.gz PVHDWXMPXCBXAB-NSHDSACASA-N 0 0 329.429 4.140 50 0 EIAARN COc1cc(OC)c(N[C@@H](C)c2nc(C(C)C)no2)cc1Cl ZINC000040511796 564170243 /nfs/dbraw/zinc/17/02/43/564170243.db2.gz SQPCGPFBBQELSE-VIFPVBQESA-N 0 0 325.796 4.037 50 0 EIAARN CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(C)cc2C)c1 ZINC000040525370 564170346 /nfs/dbraw/zinc/17/03/46/564170346.db2.gz QUQZXTNKGNOWFP-AWEZNQCLSA-N 0 0 325.412 4.145 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009155163 564170650 /nfs/dbraw/zinc/17/06/50/564170650.db2.gz PSAYFWPDMQTAGN-LBPRGKRZSA-N 0 0 345.830 4.046 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009155164 564170656 /nfs/dbraw/zinc/17/06/56/564170656.db2.gz PSAYFWPDMQTAGN-GFCCVEGCSA-N 0 0 345.830 4.046 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CCCCCCC2)c1)c1cccs1 ZINC000009155906 564170658 /nfs/dbraw/zinc/17/06/58/564170658.db2.gz LBXVGRVRLZPGSP-UHFFFAOYSA-N 0 0 342.464 4.407 50 0 EIAARN C[C@H]1CCc2c(sc3c2CSC(C(=O)NCc2ccco2)=C3)C1 ZINC000009211404 564171313 /nfs/dbraw/zinc/17/13/13/564171313.db2.gz AVJYCQUNTLAOQP-NSHDSACASA-N 0 0 345.489 4.370 50 0 EIAARN Cc1ccc2cccc(O[C@H](C)C(=O)NC3CCCCCC3)c2n1 ZINC000009220841 564171439 /nfs/dbraw/zinc/17/14/39/564171439.db2.gz XBNXGJQTWLWGIH-OAHLLOKOSA-N 0 0 326.440 4.150 50 0 EIAARN CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000040714554 564171741 /nfs/dbraw/zinc/17/17/41/564171741.db2.gz VAOUVGSWQMTUND-ZACQAIPSSA-N 0 0 339.439 4.050 50 0 EIAARN Cc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)no1 ZINC000009313743 564172506 /nfs/dbraw/zinc/17/25/06/564172506.db2.gz LEJJAJAAPVAAPV-UHFFFAOYSA-N 0 0 333.800 4.321 50 0 EIAARN CN(Cc1ccc(Cl)s1)C(=O)c1cccc(-n2cccc2)c1 ZINC000009322007 564172665 /nfs/dbraw/zinc/17/26/65/564172665.db2.gz IJKYXNHEMYXPOE-UHFFFAOYSA-N 0 0 330.840 4.464 50 0 EIAARN c1ccc2c(c1)[nH]c1nnc(SCc3cccc4cccnc43)n21 ZINC000009338312 564172739 /nfs/dbraw/zinc/17/27/39/564172739.db2.gz ILDPWPZNRFGKNT-UHFFFAOYSA-N 0 0 331.404 4.051 50 0 EIAARN Cc1sc2ncnc(NCCc3ccc(-n4cccn4)cc3)c2c1C ZINC000009384534 564173287 /nfs/dbraw/zinc/17/32/87/564173287.db2.gz RIAARVQVCOVLCH-UHFFFAOYSA-N 0 0 349.463 4.148 50 0 EIAARN Cc1cccc(OCCNC(=O)COc2ccc(C(C)C)cc2)c1C ZINC000041156736 564173581 /nfs/dbraw/zinc/17/35/81/564173581.db2.gz YWODDBOAIWPUAU-UHFFFAOYSA-N 0 0 341.451 4.001 50 0 EIAARN Cc1occc1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000009455472 564173712 /nfs/dbraw/zinc/17/37/12/564173712.db2.gz IHXUIJYSPRNBGC-UHFFFAOYSA-N 0 0 349.412 4.123 50 0 EIAARN Cc1cc(SCc2cc(F)cc3c2OCOC3)nc(C(C)C)n1 ZINC000009450512 564173734 /nfs/dbraw/zinc/17/37/34/564173734.db2.gz GEYLLVWIUOEQPW-UHFFFAOYSA-N 0 0 334.416 4.206 50 0 EIAARN Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C ZINC000009457952 564173753 /nfs/dbraw/zinc/17/37/53/564173753.db2.gz DCUZZXZVXPZQJT-CQSZACIVSA-N 0 0 337.375 4.234 50 0 EIAARN Cc1c2ccccc2oc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C ZINC000009457955 564173772 /nfs/dbraw/zinc/17/37/72/564173772.db2.gz DCUZZXZVXPZQJT-AWEZNQCLSA-N 0 0 337.375 4.234 50 0 EIAARN Cc1cccc(CNC(=O)c2ncoc2-c2cccc(Cl)c2)c1 ZINC000009527382 564174041 /nfs/dbraw/zinc/17/40/41/564174041.db2.gz NQXONZNXAHHASH-UHFFFAOYSA-N 0 0 326.783 4.233 50 0 EIAARN O=C(NCc1cccc(F)c1)c1ncoc1-c1cccc(Cl)c1 ZINC000009527397 564174052 /nfs/dbraw/zinc/17/40/52/564174052.db2.gz UHIIVXCJFNPCRA-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN O=c1c(NCCC2=CCCCC2)nccn1-c1ccc(F)c(Cl)c1 ZINC000009639229 564174325 /nfs/dbraw/zinc/17/43/25/564174325.db2.gz CEBJTVBZIDHLBD-UHFFFAOYSA-N 0 0 347.821 4.327 50 0 EIAARN COc1ccc(NC(=O)c2ccccc2SC(F)F)c(OC)c1 ZINC000009647076 564174361 /nfs/dbraw/zinc/17/43/61/564174361.db2.gz CDHLNKGLICPUDS-UHFFFAOYSA-N 0 0 339.363 4.271 50 0 EIAARN Cc1ccc2c(CC(=O)Nc3cccc(Cl)c3C)cc(=O)oc2c1 ZINC000009704939 564174469 /nfs/dbraw/zinc/17/44/69/564174469.db2.gz NVLLDPVGVZTRLV-UHFFFAOYSA-N 0 0 341.794 4.244 50 0 EIAARN O=C(NCc1cccn1Cc1cccc(F)c1)Nc1ccccc1F ZINC000009722352 564174505 /nfs/dbraw/zinc/17/45/05/564174505.db2.gz VJNUFWCOTLXMHH-UHFFFAOYSA-N 0 0 341.361 4.136 50 0 EIAARN Cc1cccc(NC(=O)NCc2cccn2Cc2ccc(F)cc2)c1 ZINC000009722487 564174508 /nfs/dbraw/zinc/17/45/08/564174508.db2.gz RWGIUJWWJBNZSJ-UHFFFAOYSA-N 0 0 337.398 4.306 50 0 EIAARN O=C(CCc1ccc(F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009749166 564174617 /nfs/dbraw/zinc/17/46/17/564174617.db2.gz QJPYJZFRIJSMPQ-UHFFFAOYSA-N 0 0 341.382 4.439 50 0 EIAARN O=C(Nc1cccc(Cl)c1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009750901 564174620 /nfs/dbraw/zinc/17/46/20/564174620.db2.gz VKBRGLGFMLLGEZ-UHFFFAOYSA-N 0 0 348.193 4.218 50 0 EIAARN Cc1ccccc1Nc1nc(C(=O)N(C)Cc2ccccc2)cs1 ZINC000009846094 564174706 /nfs/dbraw/zinc/17/47/06/564174706.db2.gz QIACTCCPJNNYOD-UHFFFAOYSA-N 0 0 337.448 4.467 50 0 EIAARN Cc1noc(C)c1CN(C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000042132943 564174707 /nfs/dbraw/zinc/17/47/07/564174707.db2.gz LQXSVJWWFOEBNM-UHFFFAOYSA-N 0 0 340.427 4.097 50 0 EIAARN Cc1ccc(OCC(=O)O[C@H](c2ccccc2)c2ccccn2)cc1C ZINC000042622131 564175086 /nfs/dbraw/zinc/17/50/86/564175086.db2.gz AJZZHWYRBWCQLQ-JOCHJYFZSA-N 0 0 347.414 4.410 50 0 EIAARN Cc1cc(C)cc(-n2ccnc(NC[C@@H](C)c3ccccc3)c2=O)c1 ZINC000010273406 564175192 /nfs/dbraw/zinc/17/51/92/564175192.db2.gz NNMCSDMDZRPTGS-QGZVFWFLSA-N 0 0 333.435 4.065 50 0 EIAARN Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000010311106 564175231 /nfs/dbraw/zinc/17/52/31/564175231.db2.gz ASBFEAMZPYWFIB-GOSISDBHSA-N 0 0 328.843 4.424 50 0 EIAARN Cc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000010366113 564175305 /nfs/dbraw/zinc/17/53/05/564175305.db2.gz YDWGDTRKVITYHA-UHFFFAOYSA-N 0 0 344.208 4.172 50 0 EIAARN Cc1cc(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1F ZINC000010366931 564175326 /nfs/dbraw/zinc/17/53/26/564175326.db2.gz GHFOQQOPZHUVSL-ZDUSSCGKSA-N 0 0 326.371 4.441 50 0 EIAARN Cc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)cc1 ZINC000010366416 564175343 /nfs/dbraw/zinc/17/53/43/564175343.db2.gz XOLOTRVXFURKIH-UHFFFAOYSA-N 0 0 344.208 4.172 50 0 EIAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1C ZINC000010434351 564175752 /nfs/dbraw/zinc/17/57/52/564175752.db2.gz QOOHBPPGPCBGJN-UHFFFAOYSA-N 0 0 337.448 4.231 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000071844098 564175926 /nfs/dbraw/zinc/17/59/26/564175926.db2.gz JHKSDULAXZPSQM-MRXNPFEDSA-N 0 0 337.423 4.057 50 0 EIAARN C[C@@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)c1nccs1 ZINC000071879862 564176358 /nfs/dbraw/zinc/17/63/58/564176358.db2.gz VVIPBFSMEUFMDO-CYBMUJFWSA-N 0 0 347.484 4.019 50 0 EIAARN CCc1nc2c(-c3ccc(C)cc3)noc2c(NCc2cccnc2)n1 ZINC000035478690 564177541 /nfs/dbraw/zinc/17/75/41/564177541.db2.gz LUTDIPYAQUNZDG-UHFFFAOYSA-N 0 0 345.406 4.163 50 0 EIAARN COc1ccc(NC(=O)COc2cccc3c2ccn3C(C)C)cc1 ZINC000253412274 568422838 /nfs/dbraw/zinc/42/28/38/568422838.db2.gz QKZLHFSBTHJWAZ-UHFFFAOYSA-N 0 0 338.407 4.248 50 0 EIAARN C[C@@H](c1ccco1)N(C)C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000078832361 1020188725 /nfs/dbraw/zinc/18/87/25/1020188725.db2.gz CDZAQFCYXZJFTC-HNNXBMFYSA-N 0 0 335.407 4.276 50 0 EIAARN O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1ocnc1C1CC1 ZINC000288262251 1020303955 /nfs/dbraw/zinc/30/39/55/1020303955.db2.gz CPWGSFOLZZJWFY-UHFFFAOYSA-N 0 0 337.206 4.278 50 0 EIAARN Cc1cccc2[nH]c(COC(=O)c3ccc(NC(=O)C4CC4)cc3)cc21 ZINC000072314148 1021768860 /nfs/dbraw/zinc/76/88/60/1021768860.db2.gz HGCVSNZEVDSGAX-UHFFFAOYSA-N 0 0 348.402 4.182 50 0 EIAARN CCc1ccccc1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000178185198 1022184151 /nfs/dbraw/zinc/18/41/51/1022184151.db2.gz IEPZNJOHDDIWLA-SFHVURJKSA-N 0 0 335.407 4.229 50 0 EIAARN CN(Cc1ccco1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000017790468 1022213475 /nfs/dbraw/zinc/21/34/75/1022213475.db2.gz HTJMNAAPYSVSGW-UHFFFAOYSA-N 0 0 343.386 4.162 50 0 EIAARN Cc1c2ccccc2oc1[C@H](NCc1cn(C(C)C)nn1)C(C)C ZINC000289701650 1022222787 /nfs/dbraw/zinc/22/27/87/1022222787.db2.gz KQCUPEQQENRGOR-GOSISDBHSA-N 0 0 326.444 4.401 50 0 EIAARN C[C@@]1(COc2ccncc2)CCCN(Cc2cccc(F)c2F)C1 ZINC000257174371 1022567926 /nfs/dbraw/zinc/56/79/26/1022567926.db2.gz GBNNHXKYCLJQGN-LJQANCHMSA-N 0 0 332.394 4.041 50 0 EIAARN CCc1cccc2c(CC(=O)Nc3cnn([C@@H](C)C4CC4)c3)c[nH]c21 ZINC000186460159 1022623098 /nfs/dbraw/zinc/62/30/98/1022623098.db2.gz DXLCYBJWCPTHQR-ZDUSSCGKSA-N 0 0 336.439 4.079 50 0 EIAARN Cc1ccccc1/C=C\C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000050647392 1022786544 /nfs/dbraw/zinc/78/65/44/1022786544.db2.gz RQHXBABKEVNKJI-SYGIOELKSA-N 0 0 331.419 4.248 50 0 EIAARN O=C(c1ncoc1C1CC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000293484476 1023238764 /nfs/dbraw/zinc/23/87/64/1023238764.db2.gz SQIGNQKGMWXGNW-QGZVFWFLSA-N 0 0 335.407 4.401 50 0 EIAARN O=C(CCc1ccccc1)NC[C@@H](c1ccsc1)c1ccco1 ZINC000675007848 1023309609 /nfs/dbraw/zinc/30/96/09/1023309609.db2.gz VCDDMAQEIAIWRI-KRWDZBQOSA-N 0 0 325.433 4.222 50 0 EIAARN O=C(CCC1CCCCC1)N1CCC[C@H]1CCc1noc(C2CC2)n1 ZINC000675021139 1023328423 /nfs/dbraw/zinc/32/84/23/1023328423.db2.gz WRKOEECBYXVCIU-KRWDZBQOSA-N 0 0 345.487 4.231 50 0 EIAARN O=C(Cn1cc(-c2cccc3ccccc32)cn1)Nc1ccc(F)cc1 ZINC000675028873 1023342286 /nfs/dbraw/zinc/34/22/86/1023342286.db2.gz APOQKQSYYYQTTF-UHFFFAOYSA-N 0 0 345.377 4.481 50 0 EIAARN CCOc1nn(C)c2ccc(NC(=O)Nc3ccc(C)cc3C)cc21 ZINC000675028649 1023345927 /nfs/dbraw/zinc/34/59/27/1023345927.db2.gz XZROMUZLMAFVFV-UHFFFAOYSA-N 0 0 338.411 4.233 50 0 EIAARN Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)n1 ZINC000331395495 1023657571 /nfs/dbraw/zinc/65/75/71/1023657571.db2.gz BZYAEAQWEZIING-QBIMZIAESA-N 0 0 343.471 4.352 50 0 EIAARN CNC(=O)c1ccc(C)c(N[C@@H]2CCC[C@@H](c3ncccc3C)C2)c1 ZINC000331500037 1023666194 /nfs/dbraw/zinc/66/61/94/1023666194.db2.gz HFZBTDVBCIGLAS-SJLPKXTDSA-N 0 0 337.467 4.196 50 0 EIAARN C[C@@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@H](C)O1 ZINC000294889721 1023759700 /nfs/dbraw/zinc/75/97/00/1023759700.db2.gz YFKWCOPHWYSMNM-RVKKMQEKSA-N 0 0 331.460 4.072 50 0 EIAARN O=C(CCC(=O)OCCc1ccccc1)Nc1cccc2ccccc21 ZINC000003145301 1023889236 /nfs/dbraw/zinc/88/92/36/1023889236.db2.gz DZSHDARDHFDMDN-UHFFFAOYSA-N 0 0 347.414 4.344 50 0 EIAARN COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cscc1C)C2 ZINC000333542417 1023969486 /nfs/dbraw/zinc/96/94/86/1023969486.db2.gz OBLAMEXCZDQEAA-UHFFFAOYSA-N 0 0 346.452 4.270 50 0 EIAARN CC(C)[C@@H](NCc1ccc(Br)o1)c1nc2ccccc2[nH]1 ZINC000236734726 1024230047 /nfs/dbraw/zinc/23/00/47/1024230047.db2.gz ZJCZGFHYZCFOBV-OAHLLOKOSA-N 0 0 348.244 4.405 50 0 EIAARN CN(C(=O)c1cccc(NC(=O)Cc2ccccc2)c1)c1ccccc1 ZINC000004810077 1024815983 /nfs/dbraw/zinc/81/59/83/1024815983.db2.gz VJNVNPSOEZFRQN-UHFFFAOYSA-N 0 0 344.414 4.144 50 0 EIAARN CCc1ccc(C(=O)Nc2ccc3c(c2)ncnc3N2CCCC2)cc1 ZINC000065134896 1024846412 /nfs/dbraw/zinc/84/64/12/1024846412.db2.gz TZMRYGXKTIULKJ-UHFFFAOYSA-N 0 0 346.434 4.045 50 0 EIAARN Cc1ccc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)o1 ZINC000002664768 1024973097 /nfs/dbraw/zinc/97/30/97/1024973097.db2.gz CEOJQWUIGUSJEP-MDZDMXLPSA-N 0 0 325.389 4.468 50 0 EIAARN Cc1cccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000006989052 1025306638 /nfs/dbraw/zinc/30/66/38/1025306638.db2.gz GNYBGCKDYNJDDF-UHFFFAOYSA-N 0 0 328.755 4.055 50 0 EIAARN Cc1ccc(-c2n[nH]cc2CNCc2nc(C(C)(C)C)cs2)o1 ZINC000105498564 1025387326 /nfs/dbraw/zinc/38/73/26/1025387326.db2.gz XQPWZCUVKZEQNS-UHFFFAOYSA-N 0 0 330.457 4.022 50 0 EIAARN COc1cc2cc(NC(C)=O)cc(NCc3ccco3)c2cc1OC ZINC000005260766 1025413659 /nfs/dbraw/zinc/41/36/59/1025413659.db2.gz UCCQMFNXRVDJNH-UHFFFAOYSA-N 0 0 340.379 4.021 50 0 EIAARN Cc1nc(C)c(C(=O)NCCc2cn(C(C)C)c3ccccc23)s1 ZINC000888103871 1026063381 /nfs/dbraw/zinc/06/33/81/1026063381.db2.gz GXLMDVPPCANCLU-UHFFFAOYSA-N 0 0 341.480 4.268 50 0 EIAARN CC(C)C[C@@H](C(=O)Nc1cccc(Br)c1)n1cccc1 ZINC000888104578 1026152704 /nfs/dbraw/zinc/15/27/04/1026152704.db2.gz FSLQGMVDNNZFHY-HNNXBMFYSA-N 0 0 335.245 4.477 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1snnc1-c1ccccc1 ZINC000004050398 1026252454 /nfs/dbraw/zinc/25/24/54/1026252454.db2.gz ZNYFYVRZMXAXBU-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN Cc1ccnc2sc(C(=O)Nc3nc4ccccc4s3)c(N)c21 ZINC000322974482 1026252826 /nfs/dbraw/zinc/25/28/26/1026252826.db2.gz ZKQBPOQFSHTVTK-UHFFFAOYSA-N 0 0 340.433 4.049 50 0 EIAARN Cc1noc(C)c1Cc1ccc(C(=O)NCc2ccc(Cl)cc2)o1 ZINC000015784706 1027551112 /nfs/dbraw/zinc/55/11/12/1027551112.db2.gz GPXQWDTYMPJVAI-UHFFFAOYSA-N 0 0 344.798 4.059 50 0 EIAARN C[C@@H](C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1ccccc1 ZINC000127281820 1027789048 /nfs/dbraw/zinc/78/90/48/1027789048.db2.gz WXDFZQKTGAJHSV-KGLIPLIRSA-N 0 0 327.428 4.098 50 0 EIAARN CC1(C)C[C@@H](NC(=O)N2CC3(CCCC3)c3c2cccc3F)CCO1 ZINC000161819152 1029003908 /nfs/dbraw/zinc/00/39/08/1029003908.db2.gz CCTOHHPSZXEHKX-AWEZNQCLSA-N 0 0 346.446 4.125 50 0 EIAARN O=C(NC1CCCCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000015838282 1029114424 /nfs/dbraw/zinc/11/44/24/1029114424.db2.gz ITBRQBJECCQUAO-HXUWFJFHSA-N 0 0 349.430 4.203 50 0 EIAARN CC(C)(C)C1CCC(OC(=O)[C@@H]2CC(=O)O[C@@H]2c2ccccc2)CC1 ZINC000000185911 1029729752 /nfs/dbraw/zinc/72/97/52/1029729752.db2.gz RTCZJYLOKUHTJO-HTPOPCQBSA-N 0 0 344.451 4.439 50 0 EIAARN O=C(Nc1ccccc1F)c1cc(Br)ccc1Cl ZINC000005898639 1035452285 /nfs/dbraw/zinc/45/22/85/1035452285.db2.gz LVGUPTRLVYUMHB-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN Fc1ccc2nc(/C(Cl)=C/c3nccn3CC(F)(F)F)oc2c1 ZINC000159028034 1035810784 /nfs/dbraw/zinc/81/07/84/1035810784.db2.gz MABUCXKLHDIUEU-TWGQIWQCSA-N 0 0 345.683 4.463 50 0 EIAARN O=C(NCc1nc(C2CC2)cs1)N1CC=C(c2cccs2)CC1 ZINC000157280047 1036067882 /nfs/dbraw/zinc/06/78/82/1036067882.db2.gz GLGMMRARCYKBGH-UHFFFAOYSA-N 0 0 345.493 4.081 50 0 EIAARN Cc1ccc(N2C[C@H](c3noc(-c4cc(C)cc(C)c4)n3)CC2=O)cc1 ZINC000169755355 1036316215 /nfs/dbraw/zinc/31/62/15/1036316215.db2.gz NHHLYGKNZHKRFH-QGZVFWFLSA-N 0 0 347.418 4.182 50 0 EIAARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccnn1C(C)C ZINC000056701254 1036801332 /nfs/dbraw/zinc/80/13/32/1036801332.db2.gz GJBVSGUERRIWNX-MDWZMJQESA-N 0 0 346.481 4.201 50 0 EIAARN Cc1cc(C)c(NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)c(C)n1 ZINC000253425331 1037089794 /nfs/dbraw/zinc/08/97/94/1037089794.db2.gz SNDCLNKVDIYTKW-UHFFFAOYSA-N 0 0 337.345 4.088 50 0 EIAARN Cc1ccc(N(C(=O)c2cccs2)C(=O)N2CCCCC2)cc1 ZINC000010254536 1037495873 /nfs/dbraw/zinc/49/58/73/1037495873.db2.gz CZLYDKLCGHWMQO-UHFFFAOYSA-N 0 0 328.437 4.309 50 0 EIAARN O=C(c1ccco1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000010254568 1037497759 /nfs/dbraw/zinc/49/77/59/1037497759.db2.gz YGNPNIKERICECU-UHFFFAOYSA-N 0 0 332.787 4.186 50 0 EIAARN COc1ccc(CCC(=O)n2ccccc2=NC2CCCCC2)cc1 ZINC000254480629 1038011220 /nfs/dbraw/zinc/01/12/20/1038011220.db2.gz AJRPSAWNBNJOBB-UHFFFAOYSA-N 0 0 338.451 4.003 50 0 EIAARN Cc1ccc(-n2ncc(C(=O)N(C)C3CCC3)c2C2CC2)cc1Cl ZINC000172702546 1038276950 /nfs/dbraw/zinc/27/69/50/1038276950.db2.gz XKABEDBXHRBKKS-UHFFFAOYSA-N 0 0 343.858 4.336 50 0 EIAARN Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc3ccn(C)c3c2)s1 ZINC000173806931 1038720476 /nfs/dbraw/zinc/72/04/76/1038720476.db2.gz NTDQSFDPQWIRNF-LBPRGKRZSA-N 0 0 342.468 4.477 50 0 EIAARN Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)ncnc3N2CCCC2)c1 ZINC000065134894 1039874347 /nfs/dbraw/zinc/87/43/47/1039874347.db2.gz RFSODUDIKRTNRT-UHFFFAOYSA-N 0 0 346.434 4.099 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)Nc1ccccc1C ZINC000096556955 1040925125 /nfs/dbraw/zinc/92/51/25/1040925125.db2.gz CYJOPCLETLXVLO-KTKRTIGZSA-N 0 0 331.847 4.461 50 0 EIAARN O=C(COc1ccc(F)cc1)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096565079 1040926419 /nfs/dbraw/zinc/92/64/19/1040926419.db2.gz LNODTLSSBRFYDN-YFHOEESVSA-N 0 0 348.377 4.409 50 0 EIAARN O=C1NC(=O)/C(=C/c2cc(-c3ccccc3)cs2)c2ccccc21 ZINC000084560165 1041229087 /nfs/dbraw/zinc/22/90/87/1041229087.db2.gz WGVCRQZUENSZKM-WOJGMQOQSA-N 0 0 331.396 4.226 50 0 EIAARN COCc1cc(F)ccc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000184744107 1042909129 /nfs/dbraw/zinc/90/91/29/1042909129.db2.gz QUHZXBUKIRQHJY-LJQANCHMSA-N 0 0 342.414 4.115 50 0 EIAARN Cc1nc(/C=C\c2cn(C)nc2C(F)F)sc1Br ZINC000606445405 1043067525 /nfs/dbraw/zinc/06/75/25/1043067525.db2.gz KHABQWQXRKQPGV-ARJAWSKDSA-N 0 0 334.189 4.056 50 0 EIAARN Fc1cccc2[nH]c(C(Cl)=Cc3ccc(-n4ccnc4)nc3)nc21 ZINC000606440987 1043067710 /nfs/dbraw/zinc/06/77/10/1043067710.db2.gz CHUFHIALOUBJFF-XYOKQWHBSA-N 0 0 339.761 4.020 50 0 EIAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)/C=C\c1ccccc1-n1cccn1 ZINC000606442698 1043068028 /nfs/dbraw/zinc/06/80/28/1043068028.db2.gz LDHUZBXAWWTODX-IVOILVROSA-N 0 0 349.409 4.244 50 0 EIAARN CCc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@H]4C)n2n1 ZINC000618256075 1043154016 /nfs/dbraw/zinc/15/40/16/1043154016.db2.gz FGSZWJAHVQDKFM-CYBMUJFWSA-N 0 0 335.455 4.360 50 0 EIAARN O=C(Nc1ccccc1Cl)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 ZINC000618256228 1043155314 /nfs/dbraw/zinc/15/53/14/1043155314.db2.gz OVXWSNPTVWWMAD-OAHLLOKOSA-N 0 0 342.826 4.296 50 0 EIAARN O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000012448549 1043235014 /nfs/dbraw/zinc/23/50/14/1043235014.db2.gz JXLBKHSUBURBHH-FQEVSTJZSA-N 0 0 349.478 4.004 50 0 EIAARN O=C(NCc1nc(-c2ccccc2)c[nH]1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000565873769 1043723420 /nfs/dbraw/zinc/72/34/20/1043723420.db2.gz ZXGFGKFVJPDTOP-OALUTQOASA-N 0 0 345.446 4.277 50 0 EIAARN C[C@@H]1c2cccn2CCN1Cc1cccc(OCc2ccccn2)c1 ZINC000179569483 1043818777 /nfs/dbraw/zinc/81/87/77/1043818777.db2.gz MFIVGCYHXAVTDP-QGZVFWFLSA-N 0 0 333.435 4.039 50 0 EIAARN Fc1ccc(-c2cnnc(N3CCC[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000011703749 1044139852 /nfs/dbraw/zinc/13/98/52/1044139852.db2.gz ZSGFFNVUMAGDFG-GOSISDBHSA-N 0 0 338.361 4.158 50 0 EIAARN O=C(NC1CCCCC1)N(CCc1ccccc1)Cc1cccnc1 ZINC000080322570 1044149061 /nfs/dbraw/zinc/14/90/61/1044149061.db2.gz QIFKOLLBGBZTDR-UHFFFAOYSA-N 0 0 337.467 4.169 50 0 EIAARN Cc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000825510504 1044676432 /nfs/dbraw/zinc/67/64/32/1044676432.db2.gz RWFKZZBKRGXZGS-UHFFFAOYSA-N 0 0 342.826 4.336 50 0 EIAARN CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cccnc1)CCC2 ZINC000153720592 1045462450 /nfs/dbraw/zinc/46/24/50/1045462450.db2.gz RTYCLVFVKBMLOT-HXUWFJFHSA-N 0 0 337.467 4.424 50 0 EIAARN Cn1cc(C(=O)Nc2cnc3ccccc3c2)c(C2CCCCC2)n1 ZINC000263703408 1045960760 /nfs/dbraw/zinc/96/07/60/1045960760.db2.gz FDKTZBPLZOWDNN-UHFFFAOYSA-N 0 0 334.423 4.268 50 0 EIAARN CCCn1c(C)cc(-c2csc(NC(=O)[C@H](C)OCC)n2)c1C ZINC000079003958 1046168070 /nfs/dbraw/zinc/16/80/70/1046168070.db2.gz WBKLIZBNRGXTFI-ZDUSSCGKSA-N 0 0 335.473 4.002 50 0 EIAARN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Cc1cscn1 ZINC000622777274 1046671795 /nfs/dbraw/zinc/67/17/95/1046671795.db2.gz JXLMYBJEHPXWNE-CYBMUJFWSA-N 0 0 344.480 4.403 50 0 EIAARN O=C(C=Cc1ccc(Cl)cc1Cl)OCC(=O)c1ccccc1 ZINC000033528009 1047421166 /nfs/dbraw/zinc/42/11/66/1047421166.db2.gz DCMYTQHQRNJWQV-CLFYSBASSA-N 0 0 335.186 4.433 50 0 EIAARN CC(C)(C)c1nc(Cc2noc([C@H]3CCC(F)(F)C3)n2)cs1 ZINC000585084174 1049407278 /nfs/dbraw/zinc/40/72/78/1049407278.db2.gz CKVFNIFUJZDGBP-VIFPVBQESA-N 0 0 327.400 4.317 50 0 EIAARN CCOC1CC2(C1)CCN(Cc1cc(Cl)c(OC)cc1Cl)C2 ZINC000585084533 1049426289 /nfs/dbraw/zinc/42/62/89/1049426289.db2.gz PFWHIYSHVNNGQE-UHFFFAOYSA-N 0 0 344.282 4.393 50 0 EIAARN CN(C)c1cccc(C(=O)NCc2ccc(-c3cccs3)o2)c1 ZINC000585367021 1049497313 /nfs/dbraw/zinc/49/73/13/1049497313.db2.gz DWKRRVJSCCOAQG-UHFFFAOYSA-N 0 0 326.421 4.004 50 0 EIAARN O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1CCC12CCOCC2 ZINC000585409282 1049498909 /nfs/dbraw/zinc/49/89/09/1049498909.db2.gz MXBMAARIBYNEGF-OAHLLOKOSA-N 0 0 342.266 4.001 50 0 EIAARN Cc1ccc(-c2noc([C@@H](c3ccccc3)N3CCCCC3=O)n2)cc1 ZINC000585133663 1049619563 /nfs/dbraw/zinc/61/95/63/1049619563.db2.gz PTONVTMACLPJGL-LJQANCHMSA-N 0 0 347.418 4.147 50 0 EIAARN CC(=O)c1cc(C[N@@H+]2CCCC[C@H]2CCc2cccs2)n(C)c1 ZINC000952868607 1049679438 /nfs/dbraw/zinc/67/94/38/1049679438.db2.gz BOPWVMYJGHSTSN-KRWDZBQOSA-N 0 0 330.497 4.277 50 0 EIAARN CC[C@H](C)NC(=O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1 ZINC000952963512 1049681228 /nfs/dbraw/zinc/68/12/28/1049681228.db2.gz ULEZVDJOFOPZJE-LBPRGKRZSA-N 0 0 343.427 4.268 50 0 EIAARN C[C@@H](Sc1n[nH]c(-c2ccc3c(c2)CCC3)n1)C(=O)c1ccccc1 ZINC000952881403 1049682010 /nfs/dbraw/zinc/68/20/10/1049682010.db2.gz LTVATGBSPUMEEQ-CYBMUJFWSA-N 0 0 349.459 4.324 50 0 EIAARN CCc1ccc(-c2nc(SCC(=O)c3cccc(C)c3)n[nH]2)cc1 ZINC000952880590 1049682156 /nfs/dbraw/zinc/68/21/56/1049682156.db2.gz GWKXTLLHSZUUHH-UHFFFAOYSA-N 0 0 337.448 4.318 50 0 EIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(OC)cc1C ZINC000952965205 1049683328 /nfs/dbraw/zinc/68/33/28/1049683328.db2.gz SNMMOKUBCMXOBG-LJQANCHMSA-N 0 0 326.440 4.402 50 0 EIAARN Cc1cc(NC(=O)[C@@H](C)Cc2ccccc2)cc2sc(N)nc21 ZINC000952965780 1049683438 /nfs/dbraw/zinc/68/34/38/1049683438.db2.gz CONMEZREFDVBEP-LBPRGKRZSA-N 0 0 325.437 4.004 50 0 EIAARN Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)cc2sc(N)nc21 ZINC000952970373 1049684135 /nfs/dbraw/zinc/68/41/35/1049684135.db2.gz SSXMBFITQCRSRR-UHFFFAOYSA-N 0 0 341.436 4.226 50 0 EIAARN CC(C)(C)C[C@@H](NC(=O)NCc1cccc(F)c1)c1cccnc1 ZINC000952971221 1049684649 /nfs/dbraw/zinc/68/46/49/1049684649.db2.gz MSBWCRXCSVFMJE-QGZVFWFLSA-N 0 0 329.419 4.197 50 0 EIAARN Cc1cccc(OCCc2nnc([C@H](C)Oc3ccccc3F)o2)c1 ZINC000952988925 1049692920 /nfs/dbraw/zinc/69/29/20/1049692920.db2.gz QRLZPCLPTHYEHJ-AWEZNQCLSA-N 0 0 342.370 4.279 50 0 EIAARN C[C@H](c1ccncc1)N(C)Cc1csc(COc2ccccc2)n1 ZINC000179678786 1049713902 /nfs/dbraw/zinc/71/39/02/1049713902.db2.gz YQUDVRLGPOHDCW-OAHLLOKOSA-N 0 0 339.464 4.310 50 0 EIAARN COc1cc(CNc2nnc(CC3CCCC3)o2)ccc1OC(C)C ZINC000181810523 1050340367 /nfs/dbraw/zinc/34/03/67/1050340367.db2.gz OPHAPXXUVZYRSR-UHFFFAOYSA-N 0 0 345.443 4.210 50 0 EIAARN O=C1Nc2ccccc2C12CCC(Nc1ccc(F)c(F)c1)CC2 ZINC000183446009 1051127440 /nfs/dbraw/zinc/12/74/40/1051127440.db2.gz YLYSOHKXMXAOEB-UHFFFAOYSA-N 0 0 328.362 4.209 50 0 EIAARN CC(C)COc1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1 ZINC000184061789 1051805266 /nfs/dbraw/zinc/80/52/66/1051805266.db2.gz XIXZIRRZVWRKFB-IBGZPJMESA-N 0 0 327.424 4.149 50 0 EIAARN O=C(c1occc1-c1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000684992033 1054904645 /nfs/dbraw/zinc/90/46/45/1054904645.db2.gz PKOZVPCVHXKQJP-IPMKNSEASA-N 0 0 339.435 4.102 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)N1CC[C@H](CCOc2ccccc2)C1 ZINC000581788806 1059992076 /nfs/dbraw/zinc/99/20/76/1059992076.db2.gz WVUMUAQPYLLOQM-QGZVFWFLSA-N 0 0 348.446 4.028 50 0 EIAARN Cc1ccc(OCC[C@H]2CCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000581788726 1059993771 /nfs/dbraw/zinc/99/37/71/1059993771.db2.gz UHFFXYFHNVZGPO-MRXNPFEDSA-N 0 0 327.399 4.065 50 0 EIAARN Cc1ccc(OCC[C@H]2CCN(C(=O)c3cccc(F)c3)C2)cc1 ZINC000581788269 1059994624 /nfs/dbraw/zinc/99/46/24/1059994624.db2.gz DWRFXERPTOHNMS-MRXNPFEDSA-N 0 0 327.399 4.065 50 0 EIAARN O=C(CCc1ccccc1)N1CCCCC[C@@H]1c1nc(C2CC2)no1 ZINC000581788970 1060007545 /nfs/dbraw/zinc/00/75/45/1060007545.db2.gz FKJKZUCXDPPXLW-QGZVFWFLSA-N 0 0 339.439 4.024 50 0 EIAARN Cc1cnc(C[C@H]2CCCN(C(=O)c3cccc(C)c3)C2)n1C(C)C ZINC000581817001 1060024758 /nfs/dbraw/zinc/02/47/58/1060024758.db2.gz VQDVWJKEORNGNW-GOSISDBHSA-N 0 0 339.483 4.176 50 0 EIAARN CC[C@H](O)c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000006745735 201694967 /nfs/dbraw/zinc/69/49/67/201694967.db2.gz BXLVNEIJRLYWBP-INIZCTEOSA-N 0 0 345.240 4.291 50 0 EIAARN CC1=C(C(=O)Nc2ccc(C)cc2Cl)C2(CCCCC2)OC1=O ZINC000006772367 201696675 /nfs/dbraw/zinc/69/66/75/201696675.db2.gz YVOUVRPRATXBFJ-UHFFFAOYSA-N 0 0 333.815 4.163 50 0 biogenic EIAARN CCCc1c(C(=O)NCc2ccco2)cnn1-c1cccc(Cl)c1 ZINC000006773847 201696836 /nfs/dbraw/zinc/69/68/36/201696836.db2.gz OMQRAGPDZPGOGE-UHFFFAOYSA-N 0 0 343.814 4.001 50 0 EIAARN Nc1c(C(=O)Nc2ccc(F)cc2)sc(=S)n1-c1ccccc1 ZINC000055104285 214273805 /nfs/dbraw/zinc/27/38/05/214273805.db2.gz KBCAZFVHYAXMQS-UHFFFAOYSA-N 0 0 345.424 4.242 50 0 EIAARN Cc1nc(CNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cs1 ZINC000056853395 214391509 /nfs/dbraw/zinc/39/15/09/214391509.db2.gz DFPYCWVGVSWRDI-VIFPVBQESA-N 0 0 343.374 4.031 50 0 EIAARN Cc1csc(CNC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)n1 ZINC000056853389 214391560 /nfs/dbraw/zinc/39/15/60/214391560.db2.gz OYOAZBXTOYWBME-JTQLQIEISA-N 0 0 343.374 4.031 50 0 EIAARN O=C(Nc1nc2ccccc2s1)[C@H](c1ccccc1)n1cccc1 ZINC000056907481 214395614 /nfs/dbraw/zinc/39/56/14/214395614.db2.gz DCVXDMZWXNVZEK-KRWDZBQOSA-N 0 0 333.416 4.326 50 0 EIAARN C[C@@H](CNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000057413558 214427699 /nfs/dbraw/zinc/42/76/99/214427699.db2.gz AZEVQBREJUBHQD-ZDUSSCGKSA-N 0 0 339.826 4.264 50 0 EIAARN Cc1occc1-c1nnc(SC[C@H]2CCCO2)n1-c1ccccc1 ZINC000006979558 201708534 /nfs/dbraw/zinc/70/85/34/201708534.db2.gz UFZCQPXSCDFADE-OAHLLOKOSA-N 0 0 341.436 4.107 50 0 EIAARN COc1cccc(Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 ZINC000007024036 201710141 /nfs/dbraw/zinc/71/01/41/201710141.db2.gz ULBOMRTVJSMXSR-UHFFFAOYSA-N 0 0 348.427 4.182 50 0 EIAARN O=C(COc1ccc(C(F)(F)F)cc1)NCc1ccc(Cl)cc1 ZINC000007007675 201710151 /nfs/dbraw/zinc/71/01/51/201710151.db2.gz NMLXKLXHKCAIEE-UHFFFAOYSA-N 0 0 343.732 4.054 50 0 EIAARN CCOc1cc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)ccc1O ZINC000007040340 201711588 /nfs/dbraw/zinc/71/15/88/201711588.db2.gz IACIMARTLXMJHZ-HXUWFJFHSA-N 0 0 335.407 4.244 50 0 EIAARN Clc1ccccc1/C=C\c1nn2c(nnc2-c2ccccn2)s1 ZINC000098028042 219071015 /nfs/dbraw/zinc/07/10/15/219071015.db2.gz JOSVGJYLYHARIY-HJWRWDBZSA-N 0 0 339.811 4.072 50 0 EIAARN C[C@H](OC(=O)c1cccc(F)c1)c1nc2ccccc2n1C(F)F ZINC000058511911 214593605 /nfs/dbraw/zinc/59/36/05/214593605.db2.gz YIBJLVMUKARPMJ-JTQLQIEISA-N 0 0 334.297 4.489 50 0 EIAARN CCc1ccc(N(C(=O)Nc2ccc(OC)cc2)C2=NCCC2)cc1 ZINC000004570561 210223031 /nfs/dbraw/zinc/22/30/31/210223031.db2.gz OETWGJIOHDYMFR-UHFFFAOYSA-N 0 0 337.423 4.488 50 0 EIAARN CSc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000004517449 210211153 /nfs/dbraw/zinc/21/11/53/210211153.db2.gz LZVDVASZHUMIEP-UHFFFAOYSA-N 0 0 345.811 4.364 50 0 EIAARN CC[C@@H](C(=O)Nc1cccc(-c2ccc(OC)nn2)c1)c1ccccc1 ZINC000007573281 201723072 /nfs/dbraw/zinc/72/30/72/201723072.db2.gz KRMJKACVJMBNCU-GOSISDBHSA-N 0 0 347.418 4.285 50 0 EIAARN O=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000004275968 210158675 /nfs/dbraw/zinc/15/86/75/210158675.db2.gz QZVUZHODGCWXAC-JXMROGBWSA-N 0 0 343.745 4.181 50 0 EIAARN Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccco3)sc2c1 ZINC000004273152 210158511 /nfs/dbraw/zinc/15/85/11/210158511.db2.gz NWRUAZJDUMIXHH-UHFFFAOYSA-N 0 0 349.415 4.440 50 0 EIAARN COc1ccnc(NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000008186314 201740866 /nfs/dbraw/zinc/74/08/66/201740866.db2.gz ZSOWRAORUDJESE-KRWDZBQOSA-N 0 0 344.418 4.211 50 0 EIAARN COc1cccc(CCC(=O)N2CCC[C@H]2c2cccs2)c1OC ZINC000008230585 201741215 /nfs/dbraw/zinc/74/12/15/201741215.db2.gz NGSPDMNUTPWBLT-HNNXBMFYSA-N 0 0 345.464 4.062 50 0 EIAARN C[C@@H]1C[C@H](Sc2ncnc3sc(-c4ccccc4)cc32)C(=O)O1 ZINC000008278516 201743543 /nfs/dbraw/zinc/74/35/43/201743543.db2.gz XSTPNUFRDUMSFH-YGRLFVJLSA-N 0 0 342.445 4.154 50 0 EIAARN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000008343981 201745781 /nfs/dbraw/zinc/74/57/81/201745781.db2.gz UUCHXIZMEJCZES-INIZCTEOSA-N 0 0 345.830 4.125 50 0 EIAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1cccc(C)c1 ZINC000008587056 201753533 /nfs/dbraw/zinc/75/35/33/201753533.db2.gz SAEIXKHIYAXZFC-HXUWFJFHSA-N 0 0 333.435 4.076 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000008703867 201757467 /nfs/dbraw/zinc/75/74/67/201757467.db2.gz KKXCSRFSTOPGLV-NSHDSACASA-N 0 0 330.384 4.150 50 0 EIAARN COc1ccc(-c2nnc3sc(-c4ccc(C)cc4C)nn32)cc1 ZINC000008715075 201757730 /nfs/dbraw/zinc/75/77/30/201757730.db2.gz PGKZSXDPQMFMER-UHFFFAOYSA-N 0 0 336.420 4.145 50 0 EIAARN Cc1csc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000009049859 201767419 /nfs/dbraw/zinc/76/74/19/201767419.db2.gz DKTSZTCZYXVYBW-UHFFFAOYSA-N 0 0 344.461 4.267 50 0 EIAARN Cc1ccc(-n2ccnc(SCc3ccccc3Cl)c2=O)cc1 ZINC000009320351 201775182 /nfs/dbraw/zinc/77/51/82/201775182.db2.gz JRISPBDTWZLJNO-UHFFFAOYSA-N 0 0 342.851 4.487 50 0 EIAARN Fc1cccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn32)c1 ZINC000009420708 201776926 /nfs/dbraw/zinc/77/69/26/201776926.db2.gz RBHDGLPJRBLZIK-UHFFFAOYSA-N 0 0 335.367 4.140 50 0 EIAARN Cc1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)on1 ZINC000009429101 201778347 /nfs/dbraw/zinc/77/83/47/201778347.db2.gz PCTZWLHAHWMGDN-UHFFFAOYSA-N 0 0 338.392 4.116 50 0 EIAARN CCc1nnc(NC(=O)c2sccc2-c2ccc(C)cc2)s1 ZINC000009642971 201783943 /nfs/dbraw/zinc/78/39/43/201783943.db2.gz POHISKDSNSYCBO-UHFFFAOYSA-N 0 0 329.450 4.390 50 0 EIAARN O=C(NCc1cccn1Cc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000009722518 201785741 /nfs/dbraw/zinc/78/57/41/201785741.db2.gz PPMPAHYRWQOUPG-UHFFFAOYSA-N 0 0 341.361 4.136 50 0 EIAARN CCOCCOc1ccccc1C(=O)Nc1cccc(Cl)c1C ZINC000009824893 201788396 /nfs/dbraw/zinc/78/83/96/201788396.db2.gz VJTMSCPYKHGWQD-UHFFFAOYSA-N 0 0 333.815 4.316 50 0 EIAARN CN1c2ccccc2Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000009827817 201788878 /nfs/dbraw/zinc/78/88/78/201788878.db2.gz YYYRXTTZKFHQLP-UHFFFAOYSA-N 0 0 344.370 4.321 50 0 EIAARN O=C(c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000009988378 201793350 /nfs/dbraw/zinc/79/33/50/201793350.db2.gz GWQWUDOKKAGNAU-UHFFFAOYSA-N 0 0 347.458 4.301 50 0 EIAARN COc1ccc(NC(=O)N(C2=NCCC2)c2ccc(F)cc2)cc1 ZINC000010166004 201795059 /nfs/dbraw/zinc/79/50/59/201795059.db2.gz CKBIIXMBWBMLQR-UHFFFAOYSA-N 0 0 327.359 4.065 50 0 EIAARN CC[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Cl)cc1 ZINC000010423897 201798512 /nfs/dbraw/zinc/79/85/12/201798512.db2.gz ADZHSJRZZZVHNM-CQSZACIVSA-N 0 0 347.871 4.478 50 0 EIAARN O=C(NCCOc1ccc2ccccc2c1)c1ccccc1Cl ZINC000010994704 201805355 /nfs/dbraw/zinc/80/53/55/201805355.db2.gz BNMMRGLQXILDEE-UHFFFAOYSA-N 0 0 325.795 4.302 50 0 EIAARN Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccc2ccccc2c1 ZINC000011612456 201811120 /nfs/dbraw/zinc/81/11/20/201811120.db2.gz PRDRVSDZGXMSCP-UHFFFAOYSA-N 0 0 345.398 4.147 50 0 EIAARN O=C(CCCc1cccs1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000011844368 201816307 /nfs/dbraw/zinc/81/63/07/201816307.db2.gz OMRKJQQLFSTTOM-QGZVFWFLSA-N 0 0 328.481 4.174 50 0 EIAARN CC[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000011923297 201819029 /nfs/dbraw/zinc/81/90/29/201819029.db2.gz AQWRKWSPPXHXQJ-AWEZNQCLSA-N 0 0 339.464 4.188 50 0 EIAARN COc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000011914861 201819661 /nfs/dbraw/zinc/81/96/61/201819661.db2.gz JIGOHRJBRZYJSE-UHFFFAOYSA-N 0 0 329.739 4.223 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 ZINC000012380872 201842891 /nfs/dbraw/zinc/84/28/91/201842891.db2.gz BCBKLVQGVPODDA-CQSZACIVSA-N 0 0 348.402 4.204 50 0 EIAARN Cc1ccsc1-c1nnc2sc(-c3ccc4ccccc4n3)nn21 ZINC000012389000 201843466 /nfs/dbraw/zinc/84/34/66/201843466.db2.gz LXFURNULPASKFH-UHFFFAOYSA-N 0 0 349.444 4.438 50 0 EIAARN Cc1occc1-c1nnc2sc(-c3cc(C)nc4ccccc43)nn21 ZINC000012391297 201843688 /nfs/dbraw/zinc/84/36/88/201843688.db2.gz 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/nfs/dbraw/zinc/85/91/15/201859115.db2.gz KEISQEGAWDASOR-UHFFFAOYSA-N 0 0 341.455 4.362 50 0 EIAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000012760499 201865440 /nfs/dbraw/zinc/86/54/40/201865440.db2.gz VZLDGUGQPUVKAQ-QGZVFWFLSA-N 0 0 335.856 4.174 50 0 EIAARN Cc1ccc(-c2cnc(CCC(=O)N3C[C@@H](C)C[C@H](C)C3)o2)cc1C ZINC000012782124 201866729 /nfs/dbraw/zinc/86/67/29/201866729.db2.gz ZWTZWBNPYVMDEE-GJZGRUSLSA-N 0 0 340.467 4.396 50 0 EIAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2o1 ZINC000012783430 201866853 /nfs/dbraw/zinc/86/68/53/201866853.db2.gz UTXSBAKQZJJXQE-JTQLQIEISA-N 0 0 329.787 4.229 50 0 EIAARN CSCc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 ZINC000012774227 201866997 /nfs/dbraw/zinc/86/69/97/201866997.db2.gz WPYRIEYHJPLSGQ-UHFFFAOYSA-N 0 0 344.461 4.196 50 0 EIAARN C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1ccccc1F ZINC000012813332 201869004 /nfs/dbraw/zinc/86/90/04/201869004.db2.gz WSEANLGDOJUBKM-LLVKDONJSA-N 0 0 349.431 4.376 50 0 EIAARN 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0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cnc21 ZINC000025995163 202137835 /nfs/dbraw/zinc/13/78/35/202137835.db2.gz BTFIHOWTGMEPDX-IIDMSEBBSA-N 0 0 340.471 4.101 50 0 EIAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)Nc1cccs1 ZINC000038668187 202144272 /nfs/dbraw/zinc/14/42/72/202144272.db2.gz OOGIVTHVUBXDPI-UHFFFAOYSA-N 0 0 347.440 4.375 50 0 EIAARN CC(C)(C)c1cc(-c2cnc3n2CCOC3)cc(C(C)(C)C)c1O ZINC000026506737 202145824 /nfs/dbraw/zinc/14/58/24/202145824.db2.gz DYTXXTMFRLTFLU-UHFFFAOYSA-N 0 0 328.456 4.381 50 0 EIAARN Cc1cc(NC(=O)c2c(C)onc2-c2ccccc2Cl)sn1 ZINC000038680705 202145829 /nfs/dbraw/zinc/14/58/29/202145829.db2.gz SYQKRRRWEKJQKZ-UHFFFAOYSA-N 0 0 333.800 4.321 50 0 EIAARN CC(C)[C@@H](NC(=O)c1ccccc1OC(F)F)c1cccs1 ZINC000026802654 202147618 /nfs/dbraw/zinc/14/76/18/202147618.db2.gz TYLXIVXETJYAKB-CQSZACIVSA-N 0 0 325.380 4.477 50 0 EIAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)c1 ZINC000038770902 202148929 /nfs/dbraw/zinc/14/89/29/202148929.db2.gz 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/nfs/dbraw/zinc/15/88/86/202158886.db2.gz VMOGOPIFUCAPFH-NRFANRHFSA-N 0 0 336.479 4.342 50 0 EIAARN Cc1ccc([C@H](CNC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027662128 202158919 /nfs/dbraw/zinc/15/89/19/202158919.db2.gz NJFVGYHNBSXSKW-KRWDZBQOSA-N 0 0 328.481 4.014 50 0 EIAARN CC1(C)CN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000027637818 202159040 /nfs/dbraw/zinc/15/90/40/202159040.db2.gz OTIDZULAHNCQNH-GQCTYLIASA-N 0 0 347.764 4.009 50 0 EIAARN Cc1cc(CNC(=O)Nc2ccccc2C(F)(F)F)ccc1F ZINC000040095991 202168109 /nfs/dbraw/zinc/16/81/09/202168109.db2.gz JTURJEYRPYKHGA-UHFFFAOYSA-N 0 0 326.293 4.475 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)NCCc1cccs1 ZINC000040103639 202168855 /nfs/dbraw/zinc/16/88/55/202168855.db2.gz RDGFMUBBZOVPOD-UHFFFAOYSA-N 0 0 339.258 4.183 50 0 EIAARN CCCn1c2c(c(SCc3ccc(Cl)cc3)nc1=O)CCC2 ZINC000028286770 202169423 /nfs/dbraw/zinc/16/94/23/202169423.db2.gz QQICNVZILMYYGJ-UHFFFAOYSA-N 0 0 334.872 4.088 50 0 EIAARN CCCCn1nc(C)c(C(=O)Nc2nc(C(C)C)cs2)c1Cl ZINC000028778274 202176591 /nfs/dbraw/zinc/17/65/91/202176591.db2.gz WANWOVADDAYRFX-UHFFFAOYSA-N 0 0 340.880 4.477 50 0 EIAARN COc1ccc(C(C)=O)cc1Cn1c2ccccc2nc1C(F)(F)F ZINC000028775407 202176896 /nfs/dbraw/zinc/17/68/96/202176896.db2.gz RSJIEPMFDYIXET-UHFFFAOYSA-N 0 0 348.324 4.315 50 0 EIAARN O=C1CSc2ccccc2N1C(=S)Nc1ccc(Cl)cc1 ZINC000028527626 202172735 /nfs/dbraw/zinc/17/27/35/202172735.db2.gz SUDZPMBHVDLKBP-UHFFFAOYSA-N 0 0 334.853 4.176 50 0 EIAARN COc1ccc(OCc2ccc(C(=O)Nc3cccc(C)c3)o2)cc1 ZINC000028575384 202173013 /nfs/dbraw/zinc/17/30/13/202173013.db2.gz PFAMCBDWURYAAK-UHFFFAOYSA-N 0 0 337.375 4.428 50 0 EIAARN CCCCOc1cccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)c1 ZINC000040122185 202173016 /nfs/dbraw/zinc/17/30/16/202173016.db2.gz RXMYKGJRZMZZSI-HNNXBMFYSA-N 0 0 330.255 4.066 50 0 EIAARN C[C@@H]1c2cccn2CCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000029378995 202185208 /nfs/dbraw/zinc/18/52/08/202185208.db2.gz LNNCKMTUNRQKFN-MRXNPFEDSA-N 0 0 332.403 4.497 50 0 EIAARN Cc1ccc(C)c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C ZINC000028942675 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CCc1nnc(NC(=O)c2cccc3c4c([nH]c32)CCCCC4)s1 ZINC000030604797 202197382 /nfs/dbraw/zinc/19/73/82/202197382.db2.gz DJNWQARXVSVKGI-UHFFFAOYSA-N 0 0 340.452 4.103 50 0 EIAARN CCCc1sc(C(=O)N2CCn3c4ccccc4nc32)cc1CC ZINC000030660714 202197410 /nfs/dbraw/zinc/19/74/10/202197410.db2.gz PTJQVWWAEQWMJX-UHFFFAOYSA-N 0 0 339.464 4.273 50 0 EIAARN O=C(Nc1nc(C2CC2)cs1)c1csc(Cc2ccccc2)n1 ZINC000030643094 202197436 /nfs/dbraw/zinc/19/74/36/202197436.db2.gz IOTPYJRDPQBVRU-UHFFFAOYSA-N 0 0 341.461 4.320 50 0 EIAARN CC(C)[C@H](Sc1ncnc2ccsc21)C(=O)NC1CCCCC1 ZINC000030705240 202198298 /nfs/dbraw/zinc/19/82/98/202198298.db2.gz QDZOCJSLULVZQY-AWEZNQCLSA-N 0 0 349.525 4.257 50 0 EIAARN Clc1ccccc1-c1nnc2n1N=C(c1cccs1)CS2 ZINC000030782354 202199455 /nfs/dbraw/zinc/19/94/55/202199455.db2.gz FAESSNRDGBYPLN-UHFFFAOYSA-N 0 0 332.841 4.018 50 0 EIAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-n2cccn2)cc1 ZINC000031032333 202201221 /nfs/dbraw/zinc/20/12/21/202201221.db2.gz ZNSYAMZVDLRQAV-UHFFFAOYSA-N 0 0 347.296 4.023 50 0 EIAARN CCc1nnsc1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000030182283 202193602 /nfs/dbraw/zinc/19/36/02/202193602.db2.gz USZRWGNCOPEVCN-UHFFFAOYSA-N 0 0 333.482 4.388 50 0 EIAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000030367412 202194400 /nfs/dbraw/zinc/19/44/00/202194400.db2.gz YVLHDTZXGGOXRO-OAHLLOKOSA-N 0 0 329.783 4.046 50 0 EIAARN Cc1c2ccccc2sc1-c1csc(CN2CCOC2=O)n1 ZINC000030447957 202196330 /nfs/dbraw/zinc/19/63/30/202196330.db2.gz QXUYRDMCNBKQKM-UHFFFAOYSA-N 0 0 330.434 4.285 50 0 EIAARN COc1ccc2cc(C(=O)N(C)Cc3ccc(SC)cc3)[nH]c2c1 ZINC000031208557 202204005 /nfs/dbraw/zinc/20/40/05/202204005.db2.gz VRIJAPHBNAHWLQ-UHFFFAOYSA-N 0 0 340.448 4.171 50 0 EIAARN CC(=O)c1c[nH]c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000031336440 202204363 /nfs/dbraw/zinc/20/43/63/202204363.db2.gz XTAFMMWYTTVTGZ-SECBINFHSA-N 0 0 339.222 4.357 50 0 EIAARN Cc1cccc(-n2ccnc2SC[C@H](O)c2ccccc2F)c1C ZINC000031444987 202205649 /nfs/dbraw/zinc/20/56/49/202205649.db2.gz HGCLATMGTSNYHO-SFHVURJKSA-N 0 0 342.439 4.454 50 0 EIAARN Cc1noc(C)c1COC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000031448042 202205770 /nfs/dbraw/zinc/20/57/70/202205770.db2.gz ORRLISOIQKERGW-UHFFFAOYSA-N 0 0 326.396 4.427 50 0 EIAARN Cc1cc(C)n(-c2ccccc2NC(=O)/C=C/c2cccc(F)c2)n1 ZINC000031543735 202206098 /nfs/dbraw/zinc/20/60/98/202206098.db2.gz QTBXFJAVRKUONC-ZHACJKMWSA-N 0 0 335.382 4.280 50 0 EIAARN CCCNC(=O)[C@@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 ZINC000031423792 202206115 /nfs/dbraw/zinc/20/61/15/202206115.db2.gz NKNHLDUTKILOOP-LLVKDONJSA-N 0 0 338.860 4.143 50 0 EIAARN CC[C@H](NC(=O)Cc1cccc(OC)c1)c1ccccc1OC(F)F ZINC000031756154 202210112 /nfs/dbraw/zinc/21/01/12/202210112.db2.gz OFHDKVOSVSZKRC-INIZCTEOSA-N 0 0 349.377 4.107 50 0 EIAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000031903838 202211636 /nfs/dbraw/zinc/21/16/36/202211636.db2.gz OWPVLYVOZVKXNW-ZANVPECISA-N 0 0 336.284 4.159 50 0 EIAARN COc1cc2c(cc1/C=C1/C(=O)Nc3ccc(Cl)cc31)O[C@@H](C)C2 ZINC000032674131 202229736 /nfs/dbraw/zinc/22/97/36/202229736.db2.gz 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4.491 50 0 EIAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(C(C)C)cc2)N1 ZINC000035781002 202309838 /nfs/dbraw/zinc/30/98/38/202309838.db2.gz PYFUFWIRRAVVMB-WOJBJXKFSA-N 0 0 348.446 4.068 50 0 biogenic EIAARN O=C1C[C@H](c2ccc(F)cc2F)c2ncn(-c3ccccc3F)c2N1 ZINC000036366301 202323441 /nfs/dbraw/zinc/32/34/41/202323441.db2.gz YIKPRLBKOQHVEB-GFCCVEGCSA-N 0 0 343.308 4.413 50 0 EIAARN CC(C)CN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)NC(C)(C)C ZINC000036004746 202311916 /nfs/dbraw/zinc/31/19/16/202311916.db2.gz XILCOHNWNMLMGY-UHFFFAOYSA-N 0 0 347.434 4.447 50 0 EIAARN Cc1ccc(-c2cc(CN(C(=O)NC(C)C)C(C)C)no2)c(C)c1 ZINC000036012702 202312225 /nfs/dbraw/zinc/31/22/25/202312225.db2.gz GHXIBXHUZSWPBT-UHFFFAOYSA-N 0 0 329.444 4.287 50 0 EIAARN CCC(=O)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(C)C ZINC000036106917 202315712 /nfs/dbraw/zinc/31/57/12/202315712.db2.gz DGMIQEDQKYPSCA-UHFFFAOYSA-N 0 0 346.496 4.486 50 0 EIAARN CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(C)=O ZINC000036105282 202316363 /nfs/dbraw/zinc/31/63/63/202316363.db2.gz CZLLQSGRYJGSMS-HNNXBMFYSA-N 0 0 346.496 4.486 50 0 EIAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(C)=O ZINC000036106432 202316982 /nfs/dbraw/zinc/31/69/82/202316982.db2.gz FUIOKLUYXCNATP-AWEZNQCLSA-N 0 0 332.469 4.178 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1snnc1-c1ccccc1 ZINC000036357727 202322743 /nfs/dbraw/zinc/32/27/43/202322743.db2.gz WDAXLHAGIZOVAS-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN Oc1cccc([C@@H]2c3cccn3CCCN2Cc2ccc(F)cc2)c1 ZINC000036348703 202322777 /nfs/dbraw/zinc/32/27/77/202322777.db2.gz JJZGIVKMJRAGEO-OAQYLSRUSA-N 0 0 336.410 4.328 50 0 EIAARN CC(C)C(=O)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 ZINC000036354014 202323098 /nfs/dbraw/zinc/32/30/98/202323098.db2.gz HBYUVOXWFXDVTB-UHFFFAOYSA-N 0 0 348.450 4.041 50 0 EIAARN Clc1cc(Cl)cc(-c2nnc3sc(-c4cccnc4)nn32)c1 ZINC000036359898 202323108 /nfs/dbraw/zinc/32/31/08/202323108.db2.gz QFZQSROXPURTGA-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN O=C(NC[C@@H](O)c1cccc2ccccc21)c1cc2ccccc2o1 ZINC000070635980 202336879 /nfs/dbraw/zinc/33/68/79/202336879.db2.gz CVMVAGPNBXVUHX-GOSISDBHSA-N 0 0 331.371 4.049 50 0 EIAARN COc1ccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000036360697 202323935 /nfs/dbraw/zinc/32/39/35/202323935.db2.gz RDEFKBUMRAHTBC-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(C)cn1 ZINC000036391010 202325325 /nfs/dbraw/zinc/32/53/25/202325325.db2.gz MRTUCDKCWPJQKH-UHFFFAOYSA-N 0 0 341.411 4.137 50 0 EIAARN Cc1c(NC(=O)c2ccccc2Cl)cccc1NC(=O)C1CC1 ZINC000036567533 202326433 /nfs/dbraw/zinc/32/64/33/202326433.db2.gz SUVIESGUOLOIOQ-UHFFFAOYSA-N 0 0 328.799 4.249 50 0 EIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000036620892 202326776 /nfs/dbraw/zinc/32/67/76/202326776.db2.gz FZXGEIHSSXYVQL-QGZVFWFLSA-N 0 0 335.856 4.174 50 0 EIAARN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000036620547 202326858 /nfs/dbraw/zinc/32/68/58/202326858.db2.gz NOYPMBHACILROW-INIZCTEOSA-N 0 0 339.819 4.005 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1OC ZINC000036620612 202327066 /nfs/dbraw/zinc/32/70/66/202327066.db2.gz WQUBBHWXUXEOFC-INIZCTEOSA-N 0 0 344.386 4.212 50 0 EIAARN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000036620704 202327220 /nfs/dbraw/zinc/32/72/20/202327220.db2.gz FDRGZJZRAYVYOZ-IBGZPJMESA-N 0 0 329.465 4.138 50 0 EIAARN O=C(c1cc(-c2ccco2)on1)N1CCC[C@H]1c1ccccc1F ZINC000036621210 202327289 /nfs/dbraw/zinc/32/72/89/202327289.db2.gz WAPKLVLRGRGPQB-HNNXBMFYSA-N 0 0 326.327 4.051 50 0 EIAARN CC(=O)c1nnc(-c2oc3ccccc3c2C)n1Nc1ccccc1 ZINC000036649158 202328248 /nfs/dbraw/zinc/32/82/48/202328248.db2.gz JGQLRSNPQJLDPT-UHFFFAOYSA-N 0 0 332.363 4.078 50 0 EIAARN CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc2ccccc2c1 ZINC000036649127 202328305 /nfs/dbraw/zinc/32/83/05/202328305.db2.gz DDHIQLUUYJRLEX-UHFFFAOYSA-N 0 0 340.382 4.459 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000036648574 202328416 /nfs/dbraw/zinc/32/84/16/202328416.db2.gz SVNGYJZZRGEKIU-UHFFFAOYSA-N 0 0 347.374 4.281 50 0 EIAARN O=C(OCc1ccccn1)c1csc(-c2cccc(Cl)c2)n1 ZINC000036725738 202329718 /nfs/dbraw/zinc/32/97/18/202329718.db2.gz ITVIIYTWOFTZPX-UHFFFAOYSA-N 0 0 330.796 4.216 50 0 EIAARN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1coc(-c2ccccc2)n1 ZINC000071876664 202351865 /nfs/dbraw/zinc/35/18/65/202351865.db2.gz GVDZUHIVBCVDMU-GOSISDBHSA-N 0 0 336.439 4.029 50 0 EIAARN C[C@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)n1ccnc1 ZINC000071885793 202352568 /nfs/dbraw/zinc/35/25/68/202352568.db2.gz LAWATHZRQYQNNA-CYBMUJFWSA-N 0 0 325.343 4.014 50 0 EIAARN O=C(NC1CC1)c1cc2sccc2n1Cc1cccc(Cl)c1 ZINC000037525831 202345832 /nfs/dbraw/zinc/34/58/32/202345832.db2.gz KCCDNAOERDTGEL-UHFFFAOYSA-N 0 0 330.840 4.297 50 0 EIAARN Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cccc(COC(C)C)c1 ZINC000073186513 202369035 /nfs/dbraw/zinc/36/90/35/202369035.db2.gz WYGASEJCFMACIX-GFCCVEGCSA-N 0 0 331.416 4.099 50 0 EIAARN COc1cc(F)c(NCc2ncc(-c3cccs3)o2)cc1OC ZINC000072912386 202369118 /nfs/dbraw/zinc/36/91/18/202369118.db2.gz SXUHHRSYVXGPTA-UHFFFAOYSA-N 0 0 334.372 4.172 50 0 EIAARN CCOc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072272089 202359010 /nfs/dbraw/zinc/35/90/10/202359010.db2.gz OMOVRSCEOKLQMR-MRXNPFEDSA-N 0 0 344.480 4.228 50 0 EIAARN COc1ccc(CCCC(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000072285873 202362194 /nfs/dbraw/zinc/36/21/94/202362194.db2.gz BIYRCWSGIFDKAF-QGZVFWFLSA-N 0 0 344.480 4.228 50 0 EIAARN O=C(NCc1cccc(Br)c1)c1cc(F)ccc1Cl ZINC000072331790 202363909 /nfs/dbraw/zinc/36/39/09/202363909.db2.gz FCOPSIXZXWIAGA-UHFFFAOYSA-N 0 0 342.595 4.172 50 0 EIAARN Cc1csc([C@H](NC(=O)N(Cc2cccs2)C2CC2)C2CC2)n1 ZINC000074666150 202372839 /nfs/dbraw/zinc/37/28/39/202372839.db2.gz UMIWDMVRXOELCS-OAHLLOKOSA-N 0 0 347.509 4.338 50 0 EIAARN Fc1cccc(-c2noc(C3(c4cccc(F)c4)CCOCC3)n2)c1 ZINC000075134671 202375046 /nfs/dbraw/zinc/37/50/46/202375046.db2.gz PSSRVSAUWKKSCI-UHFFFAOYSA-N 0 0 342.345 4.111 50 0 EIAARN O=C(c1ccc(Br)o1)N1CCC(c2cccs2)CC1 ZINC000075157048 202376638 /nfs/dbraw/zinc/37/66/38/202376638.db2.gz PJFJBYUZIXNYFV-UHFFFAOYSA-N 0 0 340.242 4.123 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)N1CCC(c2cccs2)CC1 ZINC000075157087 202376647 /nfs/dbraw/zinc/37/66/47/202376647.db2.gz QUDVFSPHUAANSY-UHFFFAOYSA-N 0 0 334.872 4.491 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000078609937 202396998 /nfs/dbraw/zinc/39/69/98/202396998.db2.gz ZYKGWLOXQXIKPG-UHFFFAOYSA-N 0 0 343.471 4.297 50 0 EIAARN Clc1ccc2nccc(N3CCC(OC4CCOCC4)CC3)c2c1 ZINC000077227071 202392000 /nfs/dbraw/zinc/39/20/00/202392000.db2.gz JXFPAXWHSIEHLA-UHFFFAOYSA-N 0 0 346.858 4.053 50 0 EIAARN COc1cc(C(=O)Nc2ccccc2C2(C)CC2)cc(OC)c1OC ZINC000039400722 202412156 /nfs/dbraw/zinc/41/21/56/202412156.db2.gz IVJWPPQWJKJJQV-UHFFFAOYSA-N 0 0 341.407 4.016 50 0 EIAARN C[C@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1cccs1 ZINC000040107268 202422944 /nfs/dbraw/zinc/42/29/44/202422944.db2.gz YOZCBFGVCSVOIJ-JTQLQIEISA-N 0 0 327.808 4.187 50 0 EIAARN Cc1c(C(=O)N[C@@H](c2cccs2)C(C)C)oc2c1C(=O)CCC2 ZINC000040131596 202424574 /nfs/dbraw/zinc/42/45/74/202424574.db2.gz SKPHZLQYZCDURE-MRXNPFEDSA-N 0 0 331.437 4.296 50 0 EIAARN CN(Cc1noc(C(C)(C)C)n1)Cc1cccc(C(F)(F)F)c1 ZINC000040153628 202427240 /nfs/dbraw/zinc/42/72/40/202427240.db2.gz KWAQYGXWIDTLTN-UHFFFAOYSA-N 0 0 327.350 4.018 50 0 EIAARN O=C1C[C@H](c2ccccc2F)c2ncn(-c3cc(F)cc(F)c3)c2N1 ZINC000040284995 202431525 /nfs/dbraw/zinc/43/15/25/202431525.db2.gz GVGQUVKOYQMMQW-CQSZACIVSA-N 0 0 343.308 4.413 50 0 EIAARN CCOc1cc(C(=O)N2CCc3sccc3[C@@H]2CC)ccc1OC ZINC000039996896 202417873 /nfs/dbraw/zinc/41/78/73/202417873.db2.gz VDJRXSZRCHMCMZ-HNNXBMFYSA-N 0 0 345.464 4.305 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@H](c3ccc(O)cc3)O2)C1 ZINC000040450000 202440546 /nfs/dbraw/zinc/44/05/46/202440546.db2.gz DCQWZNDAHMRGIR-LPHOPBHVSA-N 0 0 333.428 4.013 50 0 EIAARN CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1F ZINC000040465839 202440756 /nfs/dbraw/zinc/44/07/56/202440756.db2.gz DLBVBANJCJANKG-UHFFFAOYSA-N 0 0 331.778 4.161 50 0 EIAARN CCOCc1ccccc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000030180219 212692807 /nfs/dbraw/zinc/69/28/07/212692807.db2.gz VWNSJBFZZKNZJN-UHFFFAOYSA-N 0 0 336.435 4.251 50 0 EIAARN CCOC[C@H]1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000081607906 202482431 /nfs/dbraw/zinc/48/24/31/202482431.db2.gz HUOJQGBSXXTOFK-AWEZNQCLSA-N 0 0 338.407 4.476 50 0 EIAARN CCc1ccc(C(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 ZINC000072434114 216229522 /nfs/dbraw/zinc/22/95/22/216229522.db2.gz PWSFFEOPFDWPIP-UHFFFAOYSA-N 0 0 332.407 4.343 50 0 EIAARN COc1cccc(C(=O)COc2ccc(Cl)c3cccnc23)c1 ZINC000028047713 212596980 /nfs/dbraw/zinc/59/69/80/212596980.db2.gz BSEWHAQNEAQSIQ-UHFFFAOYSA-N 0 0 327.767 4.159 50 0 EIAARN Cc1nc(CO[C@@H]2CCN([C@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 ZINC000225400979 201034256 /nfs/dbraw/zinc/03/42/56/201034256.db2.gz GLUPPYLBLSRCQS-IUODEOHRSA-N 0 0 349.500 4.089 50 0 EIAARN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F ZINC000026295540 201051785 /nfs/dbraw/zinc/05/17/85/201051785.db2.gz LMHGMIDPLUOYBX-QJPTWQEYSA-N 0 0 332.341 4.307 50 0 EIAARN O=C(/C=C\c1ccco1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000033527754 201074071 /nfs/dbraw/zinc/07/40/71/201074071.db2.gz VHMYIAKACMDGPH-XQRVVYSFSA-N 0 0 332.331 4.333 50 0 EIAARN Clc1ccc(-c2nc(CN3CCC(c4cc[nH]n4)CC3)co2)cc1 ZINC000058251506 201141683 /nfs/dbraw/zinc/14/16/83/201141683.db2.gz PUGZLEUJJNRUFE-UHFFFAOYSA-N 0 0 342.830 4.098 50 0 EIAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)o1 ZINC000239309021 201150714 /nfs/dbraw/zinc/15/07/14/201150714.db2.gz HDOHYFBYRAKYJQ-PXNSSMCTSA-N 0 0 331.375 4.225 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H](O)[C@]4(C)CC[C@H]32)C1 ZINC000253527882 201187483 /nfs/dbraw/zinc/18/74/83/201187483.db2.gz OQHMNEGOKQMOFM-PRDKCSMWSA-N 0 0 332.484 4.242 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]34C)OCCO5)[C@@H]1CC[C@@H]2O ZINC000253497698 201188458 /nfs/dbraw/zinc/18/84/58/201188458.db2.gz FYVKKXPWOJKVKR-MKOCOSAPSA-N 0 0 334.500 4.133 50 0 EIAARN COc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 ZINC000025321855 212474522 /nfs/dbraw/zinc/47/45/22/212474522.db2.gz QMUDMARQTMFENT-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN CC(C)(C)c1cnc(CCC(=O)Nc2cccc3ccc(O)cc32)o1 ZINC000282594064 201329699 /nfs/dbraw/zinc/32/96/99/201329699.db2.gz FGHKAAAJZQVWPV-UHFFFAOYSA-N 0 0 338.407 4.402 50 0 EIAARN COc1ccccc1[C@H](C)N(C)C(=O)c1cc2c(s1)CCCC2 ZINC000025109938 212460093 /nfs/dbraw/zinc/46/00/93/212460093.db2.gz LVXGFLGRWXWANR-ZDUSSCGKSA-N 0 0 329.465 4.469 50 0 EIAARN Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(Br)cc1 ZINC000009240450 201363358 /nfs/dbraw/zinc/36/33/58/201363358.db2.gz OSMQSYGTMQDQRQ-UHFFFAOYSA-N 0 0 345.196 4.226 50 0 EIAARN Cc1nc2ccccc2cc1NC(=O)c1ccncc1C(F)(F)F ZINC000330032294 201363500 /nfs/dbraw/zinc/36/35/00/201363500.db2.gz LPVWPEZDQBYJIL-UHFFFAOYSA-N 0 0 331.297 4.209 50 0 EIAARN Cc1[nH]c2ccc(C(=O)Nc3nc4c(s3)CCCC4)cc2c1C ZINC000008742365 201363709 /nfs/dbraw/zinc/36/37/09/201363709.db2.gz RICHXPVQGAADRQ-UHFFFAOYSA-N 0 0 325.437 4.372 50 0 EIAARN Cc1oc2c(ccc3c2CN(C2CC2)CO3)c(=O)c1-c1ccccc1 ZINC000012442473 201364580 /nfs/dbraw/zinc/36/45/80/201364580.db2.gz XDLPMTOLPWVGMV-UHFFFAOYSA-N 0 0 333.387 4.083 50 0 EIAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1)C1CC1 ZINC000012389770 201364699 /nfs/dbraw/zinc/36/46/99/201364699.db2.gz ZJVWMXVYYHCPPC-UHFFFAOYSA-N 0 0 339.778 4.462 50 0 EIAARN Cc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12 ZINC000000287773 201358163 /nfs/dbraw/zinc/35/81/63/201358163.db2.gz BOTWKVLTVCVWOQ-UHFFFAOYSA-N 0 0 328.751 4.017 50 0 biogenic EIAARN O=C(/C=C\c1ccco1)Nc1nc(-c2ccc3c(c2)COC3)cs1 ZINC000096298151 201375748 /nfs/dbraw/zinc/37/57/48/201375748.db2.gz IXJIXADGMGHAPG-WAYWQWQTSA-N 0 0 338.388 4.085 50 0 EIAARN CC(C)C(=O)Nc1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000096545334 201378214 /nfs/dbraw/zinc/37/82/14/201378214.db2.gz HZFDAYPQHNPZBM-XGICHPGQSA-N 0 0 326.371 4.072 50 0 EIAARN CCc1cc2c(nc3n(c2=O)CC/C3=C/c2ccc(F)c(F)c2)s1 ZINC000096759282 201378394 /nfs/dbraw/zinc/37/83/94/201378394.db2.gz JXLNOBRLOLQWOH-XFFZJAGNSA-N 0 0 344.386 4.243 50 0 EIAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000043010376 202506012 /nfs/dbraw/zinc/50/60/12/202506012.db2.gz UTLWUPOTNWXFBJ-VDGAXYAQSA-N 0 0 343.467 4.039 50 0 EIAARN Clc1ccc(-c2cnc(CN3CCC(c4cn[nH]c4)CC3)o2)cc1 ZINC000097203066 201384539 /nfs/dbraw/zinc/38/45/39/201384539.db2.gz RPNQFLMDUKDIBM-UHFFFAOYSA-N 0 0 342.830 4.098 50 0 EIAARN Cc1nnc(-c2ccc(NC(=O)N3[C@H](C)C[C@H]4CCCC[C@@H]43)cc2)o1 ZINC000083575441 202518803 /nfs/dbraw/zinc/51/88/03/202518803.db2.gz UKISCLLGHDCSJC-VMGRFDJRSA-N 0 0 340.427 4.230 50 0 EIAARN Cc1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)cc1)SCC(=O)N2 ZINC000044903661 202532365 /nfs/dbraw/zinc/53/23/65/202532365.db2.gz AXQICOJYDJHKDB-QGZVFWFLSA-N 0 0 343.452 4.464 50 0 EIAARN CSc1ccc(CCNC(=O)c2csc3c2CCCC3)cc1 ZINC000005070144 541325276 /nfs/dbraw/zinc/32/52/76/541325276.db2.gz CGDMCOPGWOZICQ-UHFFFAOYSA-N 0 0 331.506 4.321 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1C ZINC000047157851 202577952 /nfs/dbraw/zinc/57/79/52/202577952.db2.gz YTIUSUNESDSFKM-UHFFFAOYSA-N 0 0 335.407 4.475 50 0 EIAARN COC(=O)c1ccccc1NCc1c(C)cc(C)c(C(C)=O)c1C ZINC000048261609 202596234 /nfs/dbraw/zinc/59/62/34/202596234.db2.gz QQVZBILDNDGARN-UHFFFAOYSA-N 0 0 325.408 4.213 50 0 EIAARN COCc1c2ccccc2oc1C(=O)Nc1ccnn1C1CCCC1 ZINC000048333228 202600591 /nfs/dbraw/zinc/60/05/91/202600591.db2.gz HBPSASWRQQZXCV-UHFFFAOYSA-N 0 0 339.395 4.143 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3cccc(CO)c3)cs2)c(C)c1 ZINC000051482179 202640295 /nfs/dbraw/zinc/64/02/95/202640295.db2.gz KXDJKPJPRYIROA-UHFFFAOYSA-N 0 0 338.432 4.172 50 0 EIAARN COCCn1ccc2c1cccc2C(=O)Nc1cccc2[nH]ccc21 ZINC000085878573 202629935 /nfs/dbraw/zinc/62/99/35/202629935.db2.gz UCUPFPHSABJYDY-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 biogenic EIAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cc2cc(C)ccc2nc1C ZINC000055212095 202683447 /nfs/dbraw/zinc/68/34/47/202683447.db2.gz ZOXGZFUCCORFKJ-OAHLLOKOSA-N 0 0 336.439 4.025 50 0 EIAARN CCC(=O)Nc1ccc([C@@H](C)NC(=O)c2sccc2C2CC2)cc1 ZINC000058330465 202756974 /nfs/dbraw/zinc/75/69/74/202756974.db2.gz PBDBHNGZMLMTQQ-GFCCVEGCSA-N 0 0 342.464 4.465 50 0 EIAARN O=C(Nc1ccccc1)c1cccc(CN2CCOc3ccccc32)c1 ZINC000058357867 202760116 /nfs/dbraw/zinc/76/01/16/202760116.db2.gz ZVMIKHIFJDHLBZ-UHFFFAOYSA-N 0 0 344.414 4.338 50 0 EIAARN COc1ccc(C(C)=O)c(OCc2nc(-c3ccco3)oc2C)c1 ZINC000058356665 202760379 /nfs/dbraw/zinc/76/03/79/202760379.db2.gz VYMQVRJHKBYPPD-UHFFFAOYSA-N 0 0 327.336 4.033 50 0 EIAARN CCCN(CC(F)(F)F)C(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000058365159 202761788 /nfs/dbraw/zinc/76/17/88/202761788.db2.gz VLBZDWOBWSRGKU-UHFFFAOYSA-N 0 0 333.398 4.176 50 0 EIAARN COc1c(CN[C@@H](C)c2cc3ccccc3o2)c(C(C)C)nn1C ZINC000058392180 202763626 /nfs/dbraw/zinc/76/36/26/202763626.db2.gz MHJSINZVTIVHKP-ZDUSSCGKSA-N 0 0 327.428 4.149 50 0 EIAARN CC(C)(C)CC(C)(C)NC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000058393694 202763915 /nfs/dbraw/zinc/76/39/15/202763915.db2.gz BMQARQWOTPQTEX-VOTSOKGWSA-N 0 0 339.892 4.393 50 0 EIAARN CCOc1cc(C(=O)N(C)c2ccccc2)cc(OCC)c1OCC ZINC000000030214 201424279 /nfs/dbraw/zinc/42/42/79/201424279.db2.gz NGBGBENBFGOABB-UHFFFAOYSA-N 0 0 343.423 4.159 50 0 EIAARN CCc1ccccc1NC(=O)COc1ccc(Br)cc1 ZINC000000037567 201425563 /nfs/dbraw/zinc/42/55/63/201425563.db2.gz YBWRBBXUALZZBL-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000000036286 201425644 /nfs/dbraw/zinc/42/56/44/201425644.db2.gz ANKXDSLWSFYJSK-GAJHUEQPSA-N 0 0 343.426 4.291 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000000048554 201426328 /nfs/dbraw/zinc/42/63/28/201426328.db2.gz IJCBHMBKBLZCKH-UHFFFAOYSA-N 0 0 331.799 4.086 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000000046247 201427046 /nfs/dbraw/zinc/42/70/46/201427046.db2.gz DGZFZMKYWJIQAI-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN Cc1cc(C)n(-c2ccc(SCc3ccc(Cl)cc3)nn2)n1 ZINC000000091435 201432930 /nfs/dbraw/zinc/43/29/30/201432930.db2.gz MARFIHHWWGKKBA-UHFFFAOYSA-N 0 0 330.844 4.225 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000000095487 201434538 /nfs/dbraw/zinc/43/45/38/201434538.db2.gz APLKJKJZAMFXNH-UHFFFAOYSA-N 0 0 342.704 4.093 50 0 EIAARN Cc1nc2c(s1)[C@@H](N(C)C(=O)Cc1ccc(Cl)s1)CCC2 ZINC000193634392 240244504 /nfs/dbraw/zinc/24/45/04/240244504.db2.gz REJXSSCMYZNXGB-LBPRGKRZSA-N 0 0 340.901 4.245 50 0 EIAARN O=C1O[C@H](NNc2ccc(C(F)(F)F)cc2Cl)c2ccccc21 ZINC000000110632 201436611 /nfs/dbraw/zinc/43/66/11/201436611.db2.gz NQNUKXXYLKKEFC-ZDUSSCGKSA-N 0 0 342.704 4.145 50 0 EIAARN O=C(CCc1cccs1)N(Cc1ccsc1)c1cccnc1 ZINC000193505733 240193549 /nfs/dbraw/zinc/19/35/49/240193549.db2.gz ROUDTOJTAHTFQF-UHFFFAOYSA-N 0 0 328.462 4.371 50 0 EIAARN COC[C@H](NC(=O)Nc1c(C)noc1C1CC1)c1ccc(Cl)cc1 ZINC000193657969 240253617 /nfs/dbraw/zinc/25/36/17/240253617.db2.gz PHNCOEKRUCKWJD-AWEZNQCLSA-N 0 0 349.818 4.023 50 0 EIAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000000127247 201437900 /nfs/dbraw/zinc/43/79/00/201437900.db2.gz GTWLLGVVVUBNLS-UHFFFAOYSA-N 0 0 328.437 4.228 50 0 EIAARN CC(=O)N(Cc1c(C)c(C)sc1NC(=O)c1ccccc1)C(C)C ZINC000000126505 201437977 /nfs/dbraw/zinc/43/79/77/201437977.db2.gz XZNFHFQKJCZMOD-UHFFFAOYSA-N 0 0 344.480 4.374 50 0 EIAARN O=C(Cc1cccs1)NCc1ccc(-c2ccc(F)cc2F)o1 ZINC000000131888 201438734 /nfs/dbraw/zinc/43/87/34/201438734.db2.gz MCHPMWUAWLIUAE-UHFFFAOYSA-N 0 0 333.359 4.145 50 0 EIAARN CCSc1sc(CC)cc1CN1C(=O)c2ccccc2C1=O ZINC000000135685 201438824 /nfs/dbraw/zinc/43/88/24/201438824.db2.gz RNCDMPCQWOCBEZ-UHFFFAOYSA-N 0 0 331.462 4.219 50 0 EIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000000140454 201440338 /nfs/dbraw/zinc/44/03/38/201440338.db2.gz UNWYOYFLGMANQV-MRXNPFEDSA-N 0 0 339.819 4.005 50 0 EIAARN C[C@@H]1CCc2c(sc3ncn(Cc4ccc(Cl)cc4)c(=O)c23)C1 ZINC000000143659 201440472 /nfs/dbraw/zinc/44/04/72/201440472.db2.gz LVMXVULTFAKHMA-LLVKDONJSA-N 0 0 344.867 4.285 50 0 EIAARN COc1cccc2c1c(NC(=O)c1cc3ccccc3s1)nn2C ZINC000000146381 201440728 /nfs/dbraw/zinc/44/07/28/201440728.db2.gz PIELFOFZTKOXAC-UHFFFAOYSA-N 0 0 337.404 4.049 50 0 EIAARN C[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc2ccccc2c1 ZINC000194265752 240499697 /nfs/dbraw/zinc/49/96/97/240499697.db2.gz FBQWTTMDWBBPHF-CYBMUJFWSA-N 0 0 325.437 4.199 50 0 EIAARN Cc1nn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000166207 201442956 /nfs/dbraw/zinc/44/29/56/201442956.db2.gz QIKXTPZEHHSYOG-UHFFFAOYSA-N 0 0 347.205 4.135 50 0 EIAARN CNC(=O)n1nc(C)c(Cc2csc3ccc(Cl)cc23)c1C ZINC000000172495 201443049 /nfs/dbraw/zinc/44/30/49/201443049.db2.gz ITTZYHTWVZYKER-UHFFFAOYSA-N 0 0 333.844 4.146 50 0 EIAARN Nc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1 ZINC000000203367 201448566 /nfs/dbraw/zinc/44/85/66/201448566.db2.gz LNIOWHUNCGJTJZ-UHFFFAOYSA-N 0 0 329.403 4.365 50 0 EIAARN O=C(NCc1cccs1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000211080900 241077020 /nfs/dbraw/zinc/07/70/20/241077020.db2.gz OPPJZONIIGKYDA-HNNXBMFYSA-N 0 0 332.444 4.367 50 0 EIAARN Cc1csc([C@@H](C)N(C)C(=O)c2cc3ccc(Cl)cc3n2C)n1 ZINC000215268647 241116687 /nfs/dbraw/zinc/11/66/87/241116687.db2.gz RNZLRPDPEWMFTQ-LLVKDONJSA-N 0 0 347.871 4.430 50 0 EIAARN COc1ccccc1[C@H]1CCCN1C(=O)c1nc(C(C)C)cs1 ZINC000215673555 241136872 /nfs/dbraw/zinc/13/68/72/241136872.db2.gz BALSZVISTMFHII-OAHLLOKOSA-N 0 0 330.453 4.252 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000000261998 201455215 /nfs/dbraw/zinc/45/52/15/201455215.db2.gz CRHKPBIENSJUGC-UHFFFAOYSA-N 0 0 331.371 4.012 50 0 EIAARN CC[C@@H](C)NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000000251363 201454059 /nfs/dbraw/zinc/45/40/59/201454059.db2.gz SSOHIGUJYPUQSI-SNVBAGLBSA-N 0 0 331.416 4.039 50 0 EIAARN COc1ccc(Nc2ncc(F)c(Nc3ccc(OC)cc3)n2)cc1 ZINC000000310876 201459664 /nfs/dbraw/zinc/45/96/64/201459664.db2.gz DKMPKZLVZFPNDI-UHFFFAOYSA-N 0 0 340.358 4.120 50 0 EIAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000000342135 201461714 /nfs/dbraw/zinc/46/17/14/201461714.db2.gz OQCGBYRYRJZYIM-GFCCVEGCSA-N 0 0 342.464 4.341 50 0 EIAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000000342137 201461783 /nfs/dbraw/zinc/46/17/83/201461783.db2.gz OQCGBYRYRJZYIM-LBPRGKRZSA-N 0 0 342.464 4.341 50 0 EIAARN CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccc(Br)cc1 ZINC000000371995 201465840 /nfs/dbraw/zinc/46/58/40/201465840.db2.gz DCGQUHABKZDLEP-RYUDHWBXSA-N 0 0 348.306 4.037 50 0 EIAARN Clc1ccccc1-c1nnc2sc(COc3ccccc3)nn21 ZINC000000383122 201466814 /nfs/dbraw/zinc/46/68/14/201466814.db2.gz UCBODKJDWOFCLS-UHFFFAOYSA-N 0 0 342.811 4.085 50 0 EIAARN C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000000397256 201467460 /nfs/dbraw/zinc/46/74/60/201467460.db2.gz LLZDCBIOKUESQB-YUMQZZPRSA-N 0 0 337.634 4.288 50 0 EIAARN CCOc1ccc(N(CC)C(=O)Cc2cn(C)c3ccccc23)cc1 ZINC000000428550 201471845 /nfs/dbraw/zinc/47/18/45/201471845.db2.gz PTKSTZWDQLSHEK-UHFFFAOYSA-N 0 0 336.435 4.173 50 0 EIAARN COc1ccc(CNC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1 ZINC000000429021 201472860 /nfs/dbraw/zinc/47/28/60/201472860.db2.gz VOAGABIDTRWBBZ-UHFFFAOYSA-N 0 0 346.386 4.228 50 0 EIAARN CC(=O)CCc1c(C)nc2ccc(Br)cc2c1Cl ZINC000000290647 201457429 /nfs/dbraw/zinc/45/74/29/201457429.db2.gz UXTJVRBASMVHGG-UHFFFAOYSA-N 0 0 326.621 4.481 50 0 EIAARN Fc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 ZINC000000531226 201483726 /nfs/dbraw/zinc/48/37/26/201483726.db2.gz KTMXCDZTOSOCSP-CVEARBPZSA-N 0 0 328.778 4.217 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ncnc3ccsc32)cc1F ZINC000022005540 212269875 /nfs/dbraw/zinc/26/98/75/212269875.db2.gz PNXGGNNATLREMU-SNVBAGLBSA-N 0 0 347.440 4.258 50 0 EIAARN CCC(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 ZINC000000560783 201487874 /nfs/dbraw/zinc/48/78/74/201487874.db2.gz UHPRXEIILXQAAR-GJZGRUSLSA-N 0 0 326.440 4.024 50 0 EIAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2)c1 ZINC000000569308 201488267 /nfs/dbraw/zinc/48/82/67/201488267.db2.gz UAGYIAFAPXBMIO-UHFFFAOYSA-N 0 0 346.814 4.096 50 0 EIAARN O=C(/C=C/c1ccco1)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219074122 241362904 /nfs/dbraw/zinc/36/29/04/241362904.db2.gz GPVLINXVNMKLPA-OZSKJFCKSA-N 0 0 331.412 4.139 50 0 EIAARN COc1ccc([C@H](NC(=O)c2cccc(OC)c2)c2ccccc2)cc1 ZINC000000620122 201491146 /nfs/dbraw/zinc/49/11/46/201491146.db2.gz UIGIQWMSZFKUKI-OAQYLSRUSA-N 0 0 347.414 4.223 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000000732040 201492336 /nfs/dbraw/zinc/49/23/36/201492336.db2.gz KPBWBMRGHUBZHY-UHFFFAOYSA-N 0 0 329.393 4.111 50 0 EIAARN CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc(O)ccc21 ZINC000001270154 201500919 /nfs/dbraw/zinc/50/09/19/201500919.db2.gz QBDKJRQSBFOZQD-UHFFFAOYSA-N 0 0 329.783 4.475 50 0 EIAARN CCn1cc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)c(C)n1 ZINC000001052306 201496505 /nfs/dbraw/zinc/49/65/05/201496505.db2.gz OYVBJXFYRZIYOE-VIFPVBQESA-N 0 0 326.227 4.009 50 0 EIAARN O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3ccccc3)N12 ZINC000001035655 201497019 /nfs/dbraw/zinc/49/70/19/201497019.db2.gz MAGIISGXNRAQOZ-IBGZPJMESA-N 0 0 332.428 4.030 50 0 EIAARN O=C(c1ccc(-c2ccco2)cc1)N1CCO[C@H](c2ccccc2)C1 ZINC000219330692 241381990 /nfs/dbraw/zinc/38/19/90/241381990.db2.gz NHDNJRSYLYPSCL-FQEVSTJZSA-N 0 0 333.387 4.160 50 0 EIAARN CC(C)(C)C(=O)COC(=O)c1ccc(CNc2ccccc2)cc1 ZINC000000460767 201476001 /nfs/dbraw/zinc/47/60/01/201476001.db2.gz ASMAVZNKUNWUSX-UHFFFAOYSA-N 0 0 325.408 4.071 50 0 EIAARN CC[C@@H](C(=O)N(C)c1nnc(-c2ccccc2)s1)c1ccccc1 ZINC000000460608 201476054 /nfs/dbraw/zinc/47/60/54/201476054.db2.gz IUSDZMBLIQWQBF-MRXNPFEDSA-N 0 0 337.448 4.362 50 0 EIAARN CC[C@H](C(=O)N(C)c1nnc(-c2ccccc2)s1)c1ccccc1 ZINC000000460607 201476371 /nfs/dbraw/zinc/47/63/71/201476371.db2.gz IUSDZMBLIQWQBF-INIZCTEOSA-N 0 0 337.448 4.362 50 0 EIAARN COc1cc(OC)c(NC(=O)CSc2ccccc2)cc1Cl ZINC000000471890 201477901 /nfs/dbraw/zinc/47/79/01/201477901.db2.gz HAXFMAHVRZGCNZ-UHFFFAOYSA-N 0 0 337.828 4.088 50 0 EIAARN CCn1nc(NC(=O)c2ccc(F)cc2)c2cc3cccc(C)c3nc21 ZINC000001275651 201501069 /nfs/dbraw/zinc/50/10/69/201501069.db2.gz KWHZVTGLIUQUJP-UHFFFAOYSA-N 0 0 348.381 4.304 50 0 EIAARN COc1cc(C=O)ccc1OC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000501753 201480121 /nfs/dbraw/zinc/48/01/21/201480121.db2.gz 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QSVGNDWNOFECNY-OQLLNIDSSA-N 0 0 342.420 4.010 50 0 EIAARN CC(C)c1ccc(OCCNC(=O)CCC(=O)c2cccs2)cc1 ZINC000048364266 204351009 /nfs/dbraw/zinc/35/10/09/204351009.db2.gz PXWMUBFYIMBQCJ-UHFFFAOYSA-N 0 0 345.464 4.030 50 0 EIAARN CCCCc1ccc(Nc2nc3nc[nH]c3c(N3CCCC3)n2)cc1 ZINC000049029872 204363393 /nfs/dbraw/zinc/36/33/93/204363393.db2.gz WMQHBUIEBZNQCZ-UHFFFAOYSA-N 0 0 336.443 4.039 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)[C@@H](c1ccccc1)n1cccc1 ZINC000049030868 204363793 /nfs/dbraw/zinc/36/37/93/204363793.db2.gz SVJJPDRVRHKMOY-QGZVFWFLSA-N 0 0 337.448 4.052 50 0 EIAARN CC(C)OCc1ccc(CNC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000048354968 204342622 /nfs/dbraw/zinc/34/26/22/204342622.db2.gz GNQSQKNCBOUQLG-UHFFFAOYSA-N 0 0 349.377 4.143 50 0 EIAARN Cc1c(C)c2ccc(NC(=O)c3nc4ccccc4s3)cc2[nH]c1=O ZINC000049472418 204390670 /nfs/dbraw/zinc/39/06/70/204390670.db2.gz MQTBTVHVKJIBMR-UHFFFAOYSA-N 0 0 349.415 4.007 50 0 EIAARN CCOc1ccc2cccc(NC(=O)c3c(F)cccc3F)c2n1 ZINC000049414983 204393802 /nfs/dbraw/zinc/39/38/02/204393802.db2.gz DRJNGIPYCCCURJ-UHFFFAOYSA-N 0 0 328.318 4.164 50 0 EIAARN CCOc1ccc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000019165534 212002772 /nfs/dbraw/zinc/00/27/72/212002772.db2.gz DKZJZFTZFMNYPT-UHFFFAOYSA-N 0 0 345.508 4.262 50 0 EIAARN COCc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)ccc1F ZINC000121113589 204781735 /nfs/dbraw/zinc/78/17/35/204781735.db2.gz YJZJMCDQXWZIGE-KRWDZBQOSA-N 0 0 331.387 4.323 50 0 EIAARN CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1 ZINC000016841540 211937228 /nfs/dbraw/zinc/93/72/28/211937228.db2.gz DRVUYCRZMVAMFM-UHFFFAOYSA-N 0 0 347.443 4.162 50 0 EIAARN COC(=O)c1ccc(CSc2ncc(-c3ccccc3)o2)cc1 ZINC000226795015 205154972 /nfs/dbraw/zinc/15/49/72/205154972.db2.gz SCKHIKCWYKZCTA-UHFFFAOYSA-N 0 0 325.389 4.421 50 0 EIAARN C[C@H](NC(=O)N(C)Cc1cscn1)c1ccc(Cl)cc1Cl ZINC000147192412 205362731 /nfs/dbraw/zinc/36/27/31/205362731.db2.gz NKMRDMHAHZINGL-VIFPVBQESA-N 0 0 344.267 4.353 50 0 EIAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCc1cccnc1 ZINC000000071935 205399263 /nfs/dbraw/zinc/39/92/63/205399263.db2.gz PCNYOHVLCHQBRK-UHFFFAOYSA-N 0 0 335.407 4.035 50 0 EIAARN Cc1ccc(OC[C@H](O)CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000000072611 205399400 /nfs/dbraw/zinc/39/94/00/205399400.db2.gz GNHTUHAKLRCKBW-JOCHJYFZSA-N 0 0 347.458 4.442 50 0 EIAARN CC(C)[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl ZINC000000086844 205399621 /nfs/dbraw/zinc/39/96/21/205399621.db2.gz MOWKPRHIVJNEAX-OLZOCXBDSA-N 0 0 329.223 4.459 50 0 EIAARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(C)cc1 ZINC000000478759 205466859 /nfs/dbraw/zinc/46/68/59/205466859.db2.gz JDWOVWICAZRHHD-QGOAFFKASA-N 0 0 339.435 4.000 50 0 EIAARN CC[C@@H](C)c1ccc(O)c(NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000000485772 205471752 /nfs/dbraw/zinc/47/17/52/205471752.db2.gz HEVPSOHNQTUAMS-GFCCVEGCSA-N 0 0 337.375 4.264 50 0 biogenic EIAARN Cc1cc(F)c2c(c1)CCCN2Cc1csc([C@@H]2CCCO2)n1 ZINC000136035293 205485387 /nfs/dbraw/zinc/48/53/87/205485387.db2.gz PEOUYKMKQIQRFJ-INIZCTEOSA-N 0 0 332.444 4.395 50 0 EIAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)NC1CCCC1 ZINC000000803912 205535238 /nfs/dbraw/zinc/53/52/38/205535238.db2.gz HTUWAYYTRCAGAL-UHFFFAOYSA-N 0 0 343.477 4.279 50 0 EIAARN CCn1c2ccccc2nc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000000998351 205572028 /nfs/dbraw/zinc/57/20/28/205572028.db2.gz VULLUNKUJFBGTK-GFCCVEGCSA-N 0 0 343.814 4.116 50 0 EIAARN COc1ccc(NC(=O)CCCOc2ccc(C)cc2C)c(OC)c1 ZINC000001913915 205602272 /nfs/dbraw/zinc/60/22/72/205602272.db2.gz XCUWDEDDANPVEN-UHFFFAOYSA-N 0 0 343.423 4.118 50 0 EIAARN COc1ccc(C)c2sc(NC(=O)c3cc(C)ccc3C)nc21 ZINC000002713994 205630815 /nfs/dbraw/zinc/63/08/15/205630815.db2.gz NCFLGCFXVAJRAZ-UHFFFAOYSA-N 0 0 326.421 4.482 50 0 EIAARN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002772466 205631989 /nfs/dbraw/zinc/63/19/89/205631989.db2.gz OCPCFMBTDAOLEB-LLVKDONJSA-N 0 0 344.263 4.341 50 0 EIAARN CCSc1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 ZINC000004079106 205679442 /nfs/dbraw/zinc/67/94/42/205679442.db2.gz CEHGKLDQUUXRSX-UHFFFAOYSA-N 0 0 337.514 4.195 50 0 EIAARN COc1ccccc1/C=C/C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003561004 205667564 /nfs/dbraw/zinc/66/75/64/205667564.db2.gz MCRMSCCLEWAGJQ-IZZDOVSWSA-N 0 0 337.297 4.246 50 0 EIAARN O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000003610268 205668197 /nfs/dbraw/zinc/66/81/97/205668197.db2.gz YVJINEUTYZCNHX-UHFFFAOYSA-N 0 0 341.238 4.138 50 0 EIAARN CCCSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000004086615 205674105 /nfs/dbraw/zinc/67/41/05/205674105.db2.gz BTGIWXRHHLRUPE-UHFFFAOYSA-N 0 0 347.387 4.311 50 0 EIAARN CCOc1ccc2nc(NC(=O)Nc3cccc(OC)c3)sc2c1 ZINC000004071299 205677807 /nfs/dbraw/zinc/67/78/07/205677807.db2.gz VHUWTNAIZRUUNV-UHFFFAOYSA-N 0 0 343.408 4.348 50 0 EIAARN COc1cc(OC)c(NC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000004542536 205714025 /nfs/dbraw/zinc/71/40/25/205714025.db2.gz WWGLQQJIPFVLOC-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCOc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 ZINC000005169674 205754873 /nfs/dbraw/zinc/75/48/73/205754873.db2.gz VEGPSRIKSOKVIS-UHFFFAOYSA-N 0 0 337.379 4.004 50 0 EIAARN Cc1cccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c1 ZINC000006391297 205805457 /nfs/dbraw/zinc/80/54/57/205805457.db2.gz PFBSVIPVBBRRGC-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN CC(C)Cc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000007191904 205827031 /nfs/dbraw/zinc/82/70/31/205827031.db2.gz YLRMIZHQAJTEAC-UHFFFAOYSA-N 0 0 329.347 4.008 50 0 EIAARN COc1cccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)c1 ZINC000007004878 205830070 /nfs/dbraw/zinc/83/00/70/205830070.db2.gz HQMPMJLYTFPHPS-UHFFFAOYSA-N 0 0 345.855 4.436 50 0 EIAARN O=C(NCCc1ccccc1)c1ncc(Cl)c(Cl)c1Cl ZINC000007978451 205847778 /nfs/dbraw/zinc/84/77/78/205847778.db2.gz PNRKGJVFCWRQDE-UHFFFAOYSA-N 0 0 329.614 4.014 50 0 EIAARN CCn1c2c(cccc2Cl)s/c1=N/C(=O)c1ccc(F)cc1 ZINC000008654192 205854218 /nfs/dbraw/zinc/85/42/18/205854218.db2.gz NJWWVCFCQVWRMU-KNTRCKAVSA-N 0 0 334.803 4.256 50 0 EIAARN CCCOc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000008746162 205862393 /nfs/dbraw/zinc/86/23/93/205862393.db2.gz PQQQAPBJIOOFGT-INIZCTEOSA-N 0 0 327.424 4.498 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=O)Nc1c(C)noc1C1CC1 ZINC000155030316 205976620 /nfs/dbraw/zinc/97/66/20/205976620.db2.gz BICRSRNMUQANME-ZDUSSCGKSA-N 0 0 331.441 4.463 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000000173610 206208052 /nfs/dbraw/zinc/20/80/52/206208052.db2.gz CERQRMSWDGHERQ-UHFFFAOYSA-N 0 0 347.212 4.050 50 0 EIAARN Cc1cc(Cl)ccc1-n1nnnc1-c1ccc(Br)cc1 ZINC000000245990 206209802 /nfs/dbraw/zinc/20/98/02/206209802.db2.gz VGKSXWHPXFMGOW-UHFFFAOYSA-N 0 0 349.619 4.054 50 0 EIAARN O=C(Cc1cccc2ccccc21)Nc1ccc(Br)cn1 ZINC000000036036 206210548 /nfs/dbraw/zinc/21/05/48/206210548.db2.gz LIWJUIACYHCENE-UHFFFAOYSA-N 0 0 341.208 4.179 50 0 EIAARN COc1ccc(NC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000000609774 206245731 /nfs/dbraw/zinc/24/57/31/206245731.db2.gz BBSWQZDXYIZKLL-UHFFFAOYSA-N 0 0 335.201 4.410 50 0 EIAARN CC(C)N(Cc1ccccc1)C(=O)c1cccc(Br)c1 ZINC000000317507 206232162 /nfs/dbraw/zinc/23/21/62/206232162.db2.gz HALACYQISORDJM-UHFFFAOYSA-N 0 0 332.241 4.500 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1cccs1 ZINC000000350448 206234666 /nfs/dbraw/zinc/23/46/66/206234666.db2.gz SBOUOFAIJSZIEJ-BQYQJAHWSA-N 0 0 335.450 4.255 50 0 EIAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000000505692 206237357 /nfs/dbraw/zinc/23/73/57/206237357.db2.gz BNHDUHXWCHCYML-AWEZNQCLSA-N 0 0 325.408 4.420 50 0 EIAARN Cc1c(Br)cccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000409461 206239759 /nfs/dbraw/zinc/23/97/59/206239759.db2.gz RNOVAHXPFCDWLS-ZIAGYGMSSA-N 0 0 330.225 4.500 50 0 EIAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000000528274 206240544 /nfs/dbraw/zinc/24/05/44/206240544.db2.gz FXJHHMOBTLHSAI-UHFFFAOYSA-N 0 0 338.451 4.249 50 0 EIAARN COc1cccc2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)oc21 ZINC000013701265 211614739 /nfs/dbraw/zinc/61/47/39/211614739.db2.gz UUIFNYKZHJNXQF-UHFFFAOYSA-N 0 0 347.374 4.188 50 0 EIAARN Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)n(-c2ccccc2)n1 ZINC000013701174 211614958 /nfs/dbraw/zinc/61/49/58/211614958.db2.gz DZWIYIFYMBNUSC-UHFFFAOYSA-N 0 0 335.407 4.220 50 0 EIAARN CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1cccc2ccccc21 ZINC000101348371 206291396 /nfs/dbraw/zinc/29/13/96/206291396.db2.gz IATZVCSONYEVMW-LJQANCHMSA-N 0 0 328.371 4.061 50 0 EIAARN CCCOc1cccc(C(=O)Nc2sc(C)cc2C(=O)OCC)c1 ZINC000002101991 206358241 /nfs/dbraw/zinc/35/82/41/206358241.db2.gz LUEOVJJIDNKCOK-UHFFFAOYSA-N 0 0 347.436 4.274 50 0 EIAARN C[C@@H](C(=O)OC(C)(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000006183575 206512141 /nfs/dbraw/zinc/51/21/41/206512141.db2.gz WBCMWSCMVCVIHP-CRAIPNDOSA-N 0 0 339.435 4.136 50 0 EIAARN C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000006664293 206517220 /nfs/dbraw/zinc/51/72/20/206517220.db2.gz QXGGBFIJUOVJJR-JTQLQIEISA-N 0 0 348.233 4.290 50 0 EIAARN CC(=O)Nc1ccc(SCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000006919773 206520639 /nfs/dbraw/zinc/52/06/39/206520639.db2.gz ALPSNKYLBDVVJJ-UHFFFAOYSA-N 0 0 325.433 4.109 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C[S@](=O)c1ccc(C)cc1 ZINC000107943794 206524982 /nfs/dbraw/zinc/52/49/82/206524982.db2.gz AUWSNMVKPHYZFG-HSZRJFAPSA-N 0 0 344.867 4.450 50 0 EIAARN O=C(CSc1nnc(C2CC2)n1C1CC1)c1cc2ccccc2o1 ZINC000007851535 206526779 /nfs/dbraw/zinc/52/67/79/206526779.db2.gz JSVDQFYMSUGFAE-UHFFFAOYSA-N 0 0 339.420 4.212 50 0 EIAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2[nH]cnc2c1 ZINC000009467692 206543121 /nfs/dbraw/zinc/54/31/21/206543121.db2.gz RXXQRNIGWSXTBD-UHFFFAOYSA-N 0 0 337.713 4.070 50 0 EIAARN CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2n1C ZINC000012538850 211402408 /nfs/dbraw/zinc/40/24/08/211402408.db2.gz WPGOKISFPHHJLR-UHFFFAOYSA-N 0 0 340.448 4.467 50 0 EIAARN CCOc1ccccc1CCCNC(=O)CSCc1ccccc1 ZINC000010110865 211148535 /nfs/dbraw/zinc/14/85/35/211148535.db2.gz IJNQBNUELQVFKX-UHFFFAOYSA-N 0 0 343.492 4.068 50 0 EIAARN O=C(NCCc1cccs1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000010092524 211146730 /nfs/dbraw/zinc/14/67/30/211146730.db2.gz KNSIVOVJQKNPLK-HUUCEWRRSA-N 0 0 339.382 4.229 50 0 EIAARN C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000010806507 206762456 /nfs/dbraw/zinc/76/24/56/206762456.db2.gz YVXSABBNTDVTDY-UZNLNLPZSA-N 0 0 347.842 4.066 50 0 EIAARN O=C(CCCc1ccc(O)cc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000095414341 218352588 /nfs/dbraw/zinc/35/25/88/218352588.db2.gz JBOUMNQKXXVMJG-SFHVURJKSA-N 0 0 329.827 4.342 50 0 EIAARN CCCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 ZINC000010955169 206825407 /nfs/dbraw/zinc/82/54/07/206825407.db2.gz GTOOKKCKTYJBKN-UHFFFAOYSA-N 0 0 326.368 4.459 50 0 EIAARN Cc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2)s1 ZINC000011905898 207019398 /nfs/dbraw/zinc/01/93/98/207019398.db2.gz MRMXONVCSIVOAN-UHFFFAOYSA-N 0 0 328.462 4.039 50 0 EIAARN Cc1cc(S[C@@H](C)C(=O)Nc2nccs2)nc2ccccc12 ZINC000011907435 207020563 /nfs/dbraw/zinc/02/05/63/207020563.db2.gz HUNSFHCCLLXJIS-NSHDSACASA-N 0 0 329.450 4.119 50 0 EIAARN Cc1cccc2c(C)cc(S[C@H](C)C(=O)Nc3nccs3)nc12 ZINC000012000145 207061254 /nfs/dbraw/zinc/06/12/54/207061254.db2.gz IPIBICKKVZZNHT-GFCCVEGCSA-N 0 0 343.477 4.427 50 0 EIAARN O=C(Cc1cccc2ccccc21)NCc1cc(-c2cccs2)on1 ZINC000012235880 207081818 /nfs/dbraw/zinc/08/18/18/207081818.db2.gz IKOAFQKJEQHNHF-UHFFFAOYSA-N 0 0 348.427 4.415 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1 ZINC000012422241 207143572 /nfs/dbraw/zinc/14/35/72/207143572.db2.gz TVCRBZYDRGQPOU-CQSZACIVSA-N 0 0 340.448 4.083 50 0 EIAARN CCCCOc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 ZINC000012441500 207145018 /nfs/dbraw/zinc/14/50/18/207145018.db2.gz RHQGTXTZLYPSRD-FQEVSTJZSA-N 0 0 339.435 4.079 50 0 EIAARN c1ccc2[nH]c(-c3ccc(N4CCc5ccccc5C4)nc3)nc2c1 ZINC000012507019 207167417 /nfs/dbraw/zinc/16/74/17/207167417.db2.gz AOOOSFKZWWDULK-UHFFFAOYSA-N 0 0 326.403 4.188 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1ccccc1N1CCCCC1 ZINC000012521877 207163393 /nfs/dbraw/zinc/16/33/93/207163393.db2.gz HFMAHKZHWMDPFO-UHFFFAOYSA-N 0 0 338.451 4.311 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012586507 207178458 /nfs/dbraw/zinc/17/84/58/207178458.db2.gz JSIXENUMRTYLNG-UHFFFAOYSA-N 0 0 341.451 4.407 50 0 EIAARN Cc1ccccc1OCCC(=O)N[C@@H]1CCSc2ccccc21 ZINC000012695104 207186233 /nfs/dbraw/zinc/18/62/33/207186233.db2.gz ZEDMABGIGPMCFA-MRXNPFEDSA-N 0 0 327.449 4.117 50 0 EIAARN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1[nH]nc2ccccc21 ZINC000012620698 207179652 /nfs/dbraw/zinc/17/96/52/207179652.db2.gz RZXKNHJYKKOFAC-CYBMUJFWSA-N 0 0 343.839 4.183 50 0 EIAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000012774308 207245682 /nfs/dbraw/zinc/24/56/82/207245682.db2.gz KFJBPMIBCUJPIE-UHFFFAOYSA-N 0 0 329.465 4.126 50 0 EIAARN COc1ccc(OCc2cc(C(=O)NC3CCCCC3)c(C)o2)cc1 ZINC000012818390 207250076 /nfs/dbraw/zinc/25/00/76/207250076.db2.gz OCRLFBPYLCZYNK-UHFFFAOYSA-N 0 0 343.423 4.238 50 0 EIAARN O=C(NCCCCOc1ccccc1)c1cccc(Br)c1 ZINC000012818783 207250918 /nfs/dbraw/zinc/25/09/18/207250918.db2.gz KXMLEGWQHSAOJH-UHFFFAOYSA-N 0 0 348.240 4.038 50 0 EIAARN Cc1ccc(-c2cc(CC(=O)N3c4ccccc4C[C@@H]3C)no2)cc1 ZINC000012862705 207253133 /nfs/dbraw/zinc/25/31/33/207253133.db2.gz XRVPJMBYEABZMZ-HNNXBMFYSA-N 0 0 332.403 4.170 50 0 EIAARN CC[C@H](C(=O)NCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000012725367 207243488 /nfs/dbraw/zinc/24/34/88/207243488.db2.gz JCPDXSCNUXGWLG-HNNXBMFYSA-N 0 0 326.421 4.213 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2F)cc1 ZINC000012999085 207263416 /nfs/dbraw/zinc/26/34/16/207263416.db2.gz QUVRHBQWAXYDPJ-KRWDZBQOSA-N 0 0 333.790 4.465 50 0 EIAARN Cc1nc2ccccc2c(=O)n1CCc1c[nH]c2ccc(Cl)cc12 ZINC000012893956 207260112 /nfs/dbraw/zinc/26/01/12/207260112.db2.gz LMSKQFZPGYWUOO-UHFFFAOYSA-N 0 0 337.810 4.082 50 0 biogenic EIAARN Cc1ccc(C)c(OCCSCCC(=O)NC2CCCCC2)c1 ZINC000013021551 207270295 /nfs/dbraw/zinc/27/02/95/207270295.db2.gz GWQOEFQHZRPMGG-UHFFFAOYSA-N 0 0 335.513 4.254 50 0 EIAARN C[C@H](OCCCNC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000013006911 207272644 /nfs/dbraw/zinc/27/26/44/207272644.db2.gz BSVABCKOOMCTBG-ZDUSSCGKSA-N 0 0 335.806 4.377 50 0 EIAARN C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000013056685 207283136 /nfs/dbraw/zinc/28/31/36/207283136.db2.gz XTIBTPPLMLWTMF-LBPRGKRZSA-N 0 0 337.250 4.452 50 0 EIAARN CCCn1c2c(cccc2F)s/c1=N\C(=O)/C=C/c1ccccc1 ZINC000013283968 207377912 /nfs/dbraw/zinc/37/79/12/207377912.db2.gz VDZZWMFREJZGGJ-BPYFUBPNSA-N 0 0 340.423 4.393 50 0 EIAARN CCCn1c2ccc(F)cc2s/c1=N\C(=O)/C=C/c1cccs1 ZINC000013283956 207377671 /nfs/dbraw/zinc/37/76/71/207377671.db2.gz XTLDLMYJSDMTLV-MGXKBMBFSA-N 0 0 346.452 4.454 50 0 EIAARN Cc1ccccc1C(=O)NCc1ccc([C@@H](O)c2ccsc2)s1 ZINC000207964168 207451276 /nfs/dbraw/zinc/45/12/76/207451276.db2.gz FZMCFSVKSCFWAK-KRWDZBQOSA-N 0 0 343.473 4.130 50 0 EIAARN O=C(c1cc2ccccc2[nH]1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208039228 207535515 /nfs/dbraw/zinc/53/55/15/207535515.db2.gz CCIYZGLUMGWPQL-LJQANCHMSA-N 0 0 336.460 4.488 50 0 EIAARN CC(C)c1cnc(COc2cccc(NC(=O)c3ccco3)c2)o1 ZINC000096428938 218802529 /nfs/dbraw/zinc/80/25/29/218802529.db2.gz RIKYCQUSKMNWHU-UHFFFAOYSA-N 0 0 326.352 4.222 50 0 EIAARN CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC[C@H](CO)C1 ZINC000096435204 218813550 /nfs/dbraw/zinc/81/35/50/218813550.db2.gz CSCFDYZRBGBIHU-LBPRGKRZSA-N 0 0 342.892 4.077 50 0 EIAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(F)(F)F ZINC000096480847 218857383 /nfs/dbraw/zinc/85/73/83/218857383.db2.gz SUIMTCGKWNDCLO-SSDOTTSWSA-N 0 0 338.738 4.345 50 0 EIAARN CC(C)(C)CC(=O)N1CCC(Nc2ccccc2N2CCCC2)CC1 ZINC000096495458 218872689 /nfs/dbraw/zinc/87/26/89/218872689.db2.gz XHDABIHXUFPCEH-UHFFFAOYSA-N 0 0 343.515 4.126 50 0 EIAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCCC[C@H]32)C(=O)C1 ZINC000004915263 210322180 /nfs/dbraw/zinc/32/21/80/210322180.db2.gz LHWIAYCZRJYJRB-INIZCTEOSA-N 0 0 345.870 4.200 50 0 EIAARN Cc1nn(C2CCCCC2)c(C)c1NC(=O)[C@@H](C)C1CCOCC1 ZINC000097229815 219000243 /nfs/dbraw/zinc/00/02/43/219000243.db2.gz UXMMWHSWFTVDES-ZDUSSCGKSA-N 0 0 333.476 4.006 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@H]2CCC[C@H]21 ZINC000096461424 257848197 /nfs/dbraw/zinc/84/81/97/257848197.db2.gz VQMAMVDNFOAMED-RHSMWYFYSA-N 0 0 338.411 4.065 50 0 EIAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)/C=C/c1ccco1 ZINC000096342889 257848602 /nfs/dbraw/zinc/84/86/02/257848602.db2.gz CVIWXWARZOUQEM-MDZDMXLPSA-N 0 0 338.432 4.350 50 0 EIAARN O=C(c1ncccc1C(F)(F)F)N(CC(F)F)c1ccc(F)cc1 ZINC000193858468 257952321 /nfs/dbraw/zinc/95/23/21/257952321.db2.gz QAJFBFVOKAOFJW-UHFFFAOYSA-N 0 0 348.246 4.151 50 0 EIAARN COC(=O)c1c(F)cccc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000179222123 257954364 /nfs/dbraw/zinc/95/43/64/257954364.db2.gz WYHNKJVQUDCKHX-CYBMUJFWSA-N 0 0 348.399 4.043 50 0 EIAARN Cc1nc(CCCC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cs1 ZINC000176670824 257954475 /nfs/dbraw/zinc/95/44/75/257954475.db2.gz YIYXAJRUFZPUPJ-INIZCTEOSA-N 0 0 346.471 4.005 50 0 EIAARN O=C(NCCOc1ccccc1F)N1CCCCC[C@@H]1c1ccco1 ZINC000426597369 257961895 /nfs/dbraw/zinc/96/18/95/257961895.db2.gz GMIITBAJTAANRI-MRXNPFEDSA-N 0 0 346.402 4.124 50 0 EIAARN Cc1c(C(=O)OCc2nnsc2Cl)sc2cccc(F)c12 ZINC000021605502 257926663 /nfs/dbraw/zinc/92/66/63/257926663.db2.gz QZGLUEJWLRWTLV-UHFFFAOYSA-N 0 0 342.804 4.211 50 0 EIAARN O=C(CSc1nc2cc(Cl)ccc2s1)NCc1ccccc1 ZINC000000129470 258047737 /nfs/dbraw/zinc/04/77/37/258047737.db2.gz SFZTYHPRVJAONL-UHFFFAOYSA-N 0 0 348.880 4.358 50 0 EIAARN CC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000000130405 258047778 /nfs/dbraw/zinc/04/77/78/258047778.db2.gz PKWUCSHYQQZZOD-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000452559 258048098 /nfs/dbraw/zinc/04/80/98/258048098.db2.gz MVBDTIBXSPQFTN-GFCCVEGCSA-N 0 0 335.856 4.146 50 0 EIAARN CC(C)c1nn(C)cc1NC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000280867465 258014182 /nfs/dbraw/zinc/01/41/82/258014182.db2.gz YNPDLLVQYSSZLI-KRWDZBQOSA-N 0 0 341.459 4.088 50 0 EIAARN COC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(OC)cc2)c1 ZINC000328579135 258017139 /nfs/dbraw/zinc/01/71/39/258017139.db2.gz UEPPPVQGAWRVMW-UHFFFAOYSA-N 0 0 337.350 4.350 50 0 EIAARN Cc1cc2occ(CC(=O)N(C)C[C@@H]3CCCCO3)c2c(C)c1Cl ZINC000299772962 258084731 /nfs/dbraw/zinc/08/47/31/258084731.db2.gz CCYIZKHVNREKPL-HNNXBMFYSA-N 0 0 349.858 4.273 50 0 EIAARN C[C@H]1c2cc(F)ccc2CCN1C(=O)c1ccc(N2CCCC2)cc1 ZINC000299772892 258084869 /nfs/dbraw/zinc/08/48/69/258084869.db2.gz BFOLVDCRJLNHOP-HNNXBMFYSA-N 0 0 338.426 4.185 50 0 EIAARN CC[C@H]1CN(Cc2ccc(COC)o2)Cc2ccc(Cl)cc2O1 ZINC000299782289 258090683 /nfs/dbraw/zinc/09/06/83/258090683.db2.gz VOWJXGJHBAVFAI-HNNXBMFYSA-N 0 0 335.831 4.253 50 0 EIAARN COc1ccc(Cl)cc1-c1cccc(C(=O)NCC[C@@H](C)OC)c1 ZINC000299784201 258091897 /nfs/dbraw/zinc/09/18/97/258091897.db2.gz GCRJVJMHFIUQHL-CYBMUJFWSA-N 0 0 347.842 4.170 50 0 EIAARN Cc1cc(NC(=O)NCCCC[C@@H]2CCCO2)c(Cl)cc1F ZINC000299787957 258094303 /nfs/dbraw/zinc/09/43/03/258094303.db2.gz UYRVMWOOEGVRDX-GFCCVEGCSA-N 0 0 328.815 4.258 50 0 EIAARN CCn1nc(C)c(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)c1C ZINC000006490015 258052026 /nfs/dbraw/zinc/05/20/26/258052026.db2.gz GXTGTEKTQMRVAS-UHFFFAOYSA-N 0 0 343.515 4.085 50 0 EIAARN COc1ccc(N(CC(=O)c2cccs2)C2=NCCCC2)cc1 ZINC000007275557 258052621 /nfs/dbraw/zinc/05/26/21/258052621.db2.gz RLAQOGBKCJDOJK-UHFFFAOYSA-N 0 0 328.437 4.028 50 0 EIAARN CN(C[C@H]1CCOC1)C(=O)Nc1cccc(CSC(C)(C)C)c1 ZINC000095408891 258067022 /nfs/dbraw/zinc/06/70/22/258067022.db2.gz WKMHDTMEBPXZJU-OAHLLOKOSA-N 0 0 336.501 4.219 50 0 EIAARN CC(=O)c1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cs1 ZINC000216013368 258072300 /nfs/dbraw/zinc/07/23/00/258072300.db2.gz WSVVCCMOQCEZKR-UHFFFAOYSA-N 0 0 338.432 4.237 50 0 EIAARN Fc1ccccc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000055543017 132195549 /nfs/dbraw/zinc/19/55/49/132195549.db2.gz RXUDBUGURFJWHV-UHFFFAOYSA-N 0 0 339.241 4.455 50 0 EIAARN Cc1ccc(N2CCN(Cc3ccc(F)cc3)[C@H](C)C2=O)cc1Cl ZINC000035798944 132391105 /nfs/dbraw/zinc/39/11/05/132391105.db2.gz DPNNVQOPNXFLNY-CQSZACIVSA-N 0 0 346.833 4.025 50 0 EIAARN Cc1cccc(CN2CCN(c3ccc(F)c(Cl)c3)C(=O)[C@H]2C)c1 ZINC000037521622 132394994 /nfs/dbraw/zinc/39/49/94/132394994.db2.gz FQKVLIVPUXSOBQ-CQSZACIVSA-N 0 0 346.833 4.025 50 0 EIAARN Cc1cccc(-c2nnc3c4ccccc4nc(N4CCCCC4)n23)c1 ZINC000037554394 132395834 /nfs/dbraw/zinc/39/58/34/132395834.db2.gz JXWILVJSKWDZFX-UHFFFAOYSA-N 0 0 343.434 4.243 50 0 EIAARN Cc1nc(C)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)s1 ZINC000039995726 132398432 /nfs/dbraw/zinc/39/84/32/132398432.db2.gz BYWCNZCAXGPZPR-UHFFFAOYSA-N 0 0 343.496 4.022 50 0 EIAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1C[C@H](C)C[C@H](C)C1 ZINC000040216646 132398913 /nfs/dbraw/zinc/39/89/13/132398913.db2.gz KDGWSTQSEJCRHX-GASCZTMLSA-N 0 0 334.467 4.495 50 0 EIAARN CN1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000040157077 132399327 /nfs/dbraw/zinc/39/93/27/132399327.db2.gz PJQWGZSONQAFJJ-AWEZNQCLSA-N 0 0 348.368 4.059 50 0 EIAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccccn1 ZINC000000541319 135652183 /nfs/dbraw/zinc/65/21/83/135652183.db2.gz NKECKSNFNCEJGU-OAQYLSRUSA-N 0 0 326.403 4.485 50 0 EIAARN Cc1ccc(-c2nnn3c2nc(N2CCCCC2)c2ccccc23)cc1 ZINC000002694145 135658229 /nfs/dbraw/zinc/65/82/29/135658229.db2.gz VJXGCPIFCYRJBA-UHFFFAOYSA-N 0 0 343.434 4.243 50 0 EIAARN O=C(c1csc2ccccc12)N1CCN(c2ccccc2F)CC1 ZINC000002768077 135658482 /nfs/dbraw/zinc/65/84/82/135658482.db2.gz PRCZQJRWYGRABE-UHFFFAOYSA-N 0 0 340.423 4.003 50 0 EIAARN O=C(c1cccs1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000004858996 135667564 /nfs/dbraw/zinc/66/75/64/135667564.db2.gz SXHVDWQQGBQZCO-UHFFFAOYSA-N 0 0 341.263 4.017 50 0 EIAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)c3cccc(F)c3)cc21 ZINC000005136349 135670117 /nfs/dbraw/zinc/67/01/17/135670117.db2.gz OIFPKRGKLFEJDD-UHFFFAOYSA-N 0 0 340.398 4.013 50 0 EIAARN Cc1cc(C)c(N2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1 ZINC000006700692 135675216 /nfs/dbraw/zinc/67/52/16/135675216.db2.gz IJWSYISYLLEZKW-UHFFFAOYSA-N 0 0 342.870 4.228 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc3c(c2)N(CC)CCS3)cc1 ZINC000006802590 135676891 /nfs/dbraw/zinc/67/68/91/135676891.db2.gz QFSDRTDMACNGIC-UHFFFAOYSA-N 0 0 342.464 4.270 50 0 EIAARN CCN1CCSc2ccc(C(=O)Nc3c(C)cccc3C)cc21 ZINC000006802574 135676951 /nfs/dbraw/zinc/67/69/51/135676951.db2.gz NKWUOFNBVADFGM-UHFFFAOYSA-N 0 0 326.465 4.488 50 0 EIAARN CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2F)c2cc(C)ccc2O1 ZINC000006843586 135677805 /nfs/dbraw/zinc/67/78/05/135677805.db2.gz ILZCNWWYUAKJJJ-CYBMUJFWSA-N 0 0 332.350 4.483 50 0 EIAARN COc1cccc(-c2noc(CN3CCCc4cc(C)ccc43)n2)c1 ZINC000012555818 135696643 /nfs/dbraw/zinc/69/66/43/135696643.db2.gz OMHBAJIGRPBCMZ-UHFFFAOYSA-N 0 0 335.407 4.006 50 0 EIAARN O=C(Nc1ccccc1Cl)c1ccc(N2CCCCC2=O)cc1 ZINC000012621534 135697418 /nfs/dbraw/zinc/69/74/18/135697418.db2.gz GIVBLRFTSLNDDQ-UHFFFAOYSA-N 0 0 328.799 4.109 50 0 EIAARN O=C(c1csc2ccccc12)N1CCN(c2ccc(F)cc2)CC1 ZINC000013331459 135700397 /nfs/dbraw/zinc/70/03/97/135700397.db2.gz NKUFJHMFICMPNC-UHFFFAOYSA-N 0 0 340.423 4.003 50 0 EIAARN Cc1ccc(CNC(=O)CCCN2CCSc3ccccc32)cc1 ZINC000015862768 135708765 /nfs/dbraw/zinc/70/87/65/135708765.db2.gz BGSANZBMNLKJEX-UHFFFAOYSA-N 0 0 340.492 4.004 50 0 EIAARN Cc1cc(Oc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)n[nH]1 ZINC000162564037 225829198 /nfs/dbraw/zinc/82/91/98/225829198.db2.gz MYQPIPYZVBTFKW-UHFFFAOYSA-N 0 0 332.363 4.244 50 0 EIAARN COc1ccc(-c2cnnn2-c2ccc(-c3csc(C)n3)cc2)cc1 ZINC000006937484 518143767 /nfs/dbraw/zinc/14/37/67/518143767.db2.gz RMUUJAGEOBVVMZ-UHFFFAOYSA-N 0 0 348.431 4.375 50 0 EIAARN Cc1ccc(C)c(NC(=O)NCCCN2CCCc3ccccc32)c1 ZINC000006785772 518188565 /nfs/dbraw/zinc/18/85/65/518188565.db2.gz VIRVBEIZXNBJAX-UHFFFAOYSA-N 0 0 337.467 4.268 50 0 EIAARN Cc1cnc(NC(=O)CSc2cc(Cl)ccc2Cl)s1 ZINC000006969089 518191702 /nfs/dbraw/zinc/19/17/02/518191702.db2.gz ZNAOJBOQDNNYOB-UHFFFAOYSA-N 0 0 333.265 4.489 50 0 EIAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000060701 519014587 /nfs/dbraw/zinc/01/45/87/519014587.db2.gz FNOWPNOAMOZEDS-UHFFFAOYSA-N 0 0 340.442 4.086 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)cnc21 ZINC000239672478 520082364 /nfs/dbraw/zinc/08/23/64/520082364.db2.gz BTFIHOWTGMEPDX-RVKKMQEKSA-N 0 0 340.471 4.101 50 0 EIAARN CC[C@@H](C)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000071909319 521928011 /nfs/dbraw/zinc/92/80/11/521928011.db2.gz HQHOZSKAEILDHA-IQMFZBJNSA-N 0 0 329.465 4.120 50 0 EIAARN CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000299774644 522787815 /nfs/dbraw/zinc/78/78/15/522787815.db2.gz IMMCRYNHROKJRJ-INIZCTEOSA-N 0 0 345.468 4.233 50 0 EIAARN Cc1cccc(Cl)c1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000132728768 534733104 /nfs/dbraw/zinc/73/31/04/534733104.db2.gz KASHSFMMHQPVAQ-MRXNPFEDSA-N 0 0 348.805 4.393 50 0 EIAARN CCCN1CCCc2cc(CCNC(=O)C3CCCCC3)ccc21 ZINC000035588073 534913965 /nfs/dbraw/zinc/91/39/65/534913965.db2.gz UVNOISAKHWEPPJ-UHFFFAOYSA-N 0 0 328.500 4.088 50 0 EIAARN Cc1noc(C)c1[C@H](C)CNC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000151562882 526573309 /nfs/dbraw/zinc/57/33/09/526573309.db2.gz FFJZKSJDKHHJML-CZUORRHYSA-N 0 0 345.443 4.315 50 0 EIAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCCc1ccccc1 ZINC000035536304 526843575 /nfs/dbraw/zinc/84/35/75/526843575.db2.gz KOQLHVFHHDESEY-UHFFFAOYSA-N 0 0 340.810 4.276 50 0 EIAARN O=C(COC(=O)c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000003466381 526915720 /nfs/dbraw/zinc/91/57/20/526915720.db2.gz PDRMCHIXVJFYLX-UHFFFAOYSA-N 0 0 331.371 4.149 50 0 EIAARN CO[C@H](C)c1nsc(N(CCc2ccccc2F)C2CCCC2)n1 ZINC000225811864 536531279 /nfs/dbraw/zinc/53/12/79/536531279.db2.gz LWFXJTDTJIYNMK-CYBMUJFWSA-N 0 0 349.475 4.376 50 0 EIAARN CC(C)COc1ccc(C(=O)N2CCSc3ccccc32)cc1 ZINC000041155200 535213959 /nfs/dbraw/zinc/21/39/59/535213959.db2.gz PAUGTFDTQNZFED-UHFFFAOYSA-N 0 0 327.449 4.474 50 0 EIAARN COc1cc(C)ccc1OCCOc1ccc(Br)cc1 ZINC000002984029 564013473 /nfs/dbraw/zinc/01/34/73/564013473.db2.gz IXKPFCWMFWSJTH-UHFFFAOYSA-N 0 0 337.213 4.224 50 0 EIAARN O=C([C@H]1CC1(Cl)Cl)N(CC(F)F)c1cccc(Cl)c1 ZINC000084804145 564070323 /nfs/dbraw/zinc/07/03/23/564070323.db2.gz ZESJJJRCFIAPMV-SECBINFHSA-N 0 0 328.573 4.132 50 0 EIAARN CCCOC(=O)Nc1ccc(Br)cc1Br ZINC000075283038 564081502 /nfs/dbraw/zinc/08/15/02/564081502.db2.gz COEIKICHBBEDQT-UHFFFAOYSA-N 0 0 337.011 4.170 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Cl)s1 ZINC000001053640 563370811 /nfs/dbraw/zinc/37/08/11/563370811.db2.gz ZTALSFACMUSIAZ-UHFFFAOYSA-N 0 0 329.830 4.119 50 0 EIAARN COc1ccc(S(=O)(=O)Oc2c(Cl)cccc2Cl)cc1C ZINC000002835208 563453593 /nfs/dbraw/zinc/45/35/93/563453593.db2.gz IOTJOPAHWOQELV-UHFFFAOYSA-N 0 0 347.219 4.078 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2)Cc2nc(NCc3ccccc3)ncc21 ZINC000000034428 563211783 /nfs/dbraw/zinc/21/17/83/563211783.db2.gz REHCLXWBVOWVQA-MRXNPFEDSA-N 0 0 347.393 4.141 50 0 EIAARN CCSc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000035196 563211942 /nfs/dbraw/zinc/21/19/42/563211942.db2.gz VDJIHBUKZJIRJP-UHFFFAOYSA-N 0 0 347.436 4.077 50 0 EIAARN CN1C(=S)N=NC1COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000000036233 563212002 /nfs/dbraw/zinc/21/20/02/563212002.db2.gz XEIGFIMQPPZVPE-UHFFFAOYSA-N 0 0 339.464 4.009 50 0 EIAARN Cc1cc(Br)ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000000037599 563212141 /nfs/dbraw/zinc/21/21/41/563212141.db2.gz OTRALLIMWLKVSH-CYBMUJFWSA-N 0 0 348.240 4.014 50 0 EIAARN Fc1ccc(-c2nnc(-n3nnc4ccccc43)c3ccccc32)cc1 ZINC000000038238 563212162 /nfs/dbraw/zinc/21/21/62/563212162.db2.gz QHYPVWHASIINHE-UHFFFAOYSA-N 0 0 341.349 4.170 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(Br)cc2C)c(C)c1 ZINC000000038560 563212290 /nfs/dbraw/zinc/21/22/90/563212290.db2.gz DCYHQUZYBWEEGH-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)c(Br)c1 ZINC000000038445 563212293 /nfs/dbraw/zinc/21/22/93/563212293.db2.gz YBRXAFGRMPLYTJ-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN COC(=O)c1ccccc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000000042749 563212972 /nfs/dbraw/zinc/21/29/72/563212972.db2.gz HFQAPTUIFKOBRP-GWCFXTLKSA-N 0 0 342.222 4.003 50 0 EIAARN COc1ccc2cc(-c3cccc(Br)c3)c(=O)oc2c1 ZINC000000057818 563213733 /nfs/dbraw/zinc/21/37/33/563213733.db2.gz NJMPMYZBFOQWIK-UHFFFAOYSA-N 0 0 331.165 4.231 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 ZINC000000064400 563214364 /nfs/dbraw/zinc/21/43/64/563214364.db2.gz BEZPESQLRYMCPE-UHFFFAOYSA-N 0 0 335.450 4.117 50 0 EIAARN CC[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cn1 ZINC000000069594 563214864 /nfs/dbraw/zinc/21/48/64/563214864.db2.gz MDTFXBUMKNQYQM-ZDUSSCGKSA-N 0 0 347.827 4.386 50 0 EIAARN CN(Cc1ccccc1Cl)C(=O)c1cnccc1C(F)(F)F ZINC000000077405 563217208 /nfs/dbraw/zinc/21/72/08/563217208.db2.gz WKRFWYUCMMTUQG-UHFFFAOYSA-N 0 0 328.721 4.026 50 0 EIAARN COC(=O)c1cccc(Oc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000081188 563218623 /nfs/dbraw/zinc/21/86/23/563218623.db2.gz OPSOZGHKKUXFTP-UHFFFAOYSA-N 0 0 340.404 4.149 50 0 EIAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1C ZINC000000092088 563222704 /nfs/dbraw/zinc/22/27/04/563222704.db2.gz QGMRPTYHBNYZHX-UHFFFAOYSA-N 0 0 347.340 4.311 50 0 EIAARN CN(C(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000000092067 563222751 /nfs/dbraw/zinc/22/27/51/563222751.db2.gz CPFSPOTUYISGCI-UHFFFAOYSA-N 0 0 327.783 4.373 50 0 EIAARN CSc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1C(C)=O ZINC000000096331 563224208 /nfs/dbraw/zinc/22/42/08/563224208.db2.gz GGDPBOPWMRRCRF-UHFFFAOYSA-N 0 0 331.828 4.283 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc(Cl)cc2)CO1 ZINC000000098293 563225010 /nfs/dbraw/zinc/22/50/10/563225010.db2.gz GFEUEIVFZGADOL-UHFFFAOYSA-N 0 0 327.767 4.111 50 0 EIAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)cc2)cc1 ZINC000000104522 563226886 /nfs/dbraw/zinc/22/68/86/563226886.db2.gz NIVYHBWXSKJHGZ-HXUWFJFHSA-N 0 0 330.387 4.472 50 0 EIAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2)cc1 ZINC000000104512 563226923 /nfs/dbraw/zinc/22/69/23/563226923.db2.gz SBAPSCCEVDITIF-FQEVSTJZSA-N 0 0 330.387 4.472 50 0 EIAARN FC(F)(F)Oc1ccc(NCn2nnc3cc(Cl)ccc32)cc1 ZINC000000103857 563226970 /nfs/dbraw/zinc/22/69/70/563226970.db2.gz KNNODBOSBAOJJH-UHFFFAOYSA-N 0 0 342.708 4.053 50 0 EIAARN O=C1C[C@H](c2cccc(Br)c2)c2cc3c(cc2N1)CCC3 ZINC000000107732 563228636 /nfs/dbraw/zinc/22/86/36/563228636.db2.gz JQUGQXGGDXGFKW-OAHLLOKOSA-N 0 0 342.236 4.412 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(Cl)cc2OC(F)(F)F)c1 ZINC000000111898 563229884 /nfs/dbraw/zinc/22/98/84/563229884.db2.gz UMKZTPSYSPVYNN-UHFFFAOYSA-N 0 0 345.704 4.500 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2nc3ccsc3c(=O)s2)cc1 ZINC000000119539 563233692 /nfs/dbraw/zinc/23/36/92/563233692.db2.gz OYBVABRNJPFPKA-UHFFFAOYSA-N 0 0 344.461 4.268 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(C(=O)OCCC(C)C)cc2)c1 ZINC000000120571 563234140 /nfs/dbraw/zinc/23/41/40/563234140.db2.gz DEBUJXWGJLCKDV-UHFFFAOYSA-N 0 0 341.407 4.150 50 0 EIAARN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(Cl)cc1 ZINC000000121496 563234373 /nfs/dbraw/zinc/23/43/73/563234373.db2.gz ORDHBCWVOKHTSQ-UHFFFAOYSA-N 0 0 346.761 4.485 50 0 EIAARN Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)cc1C ZINC000000121779 563234788 /nfs/dbraw/zinc/23/47/88/563234788.db2.gz WATBFCDLLHSZKY-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN CC(=O)Nc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000124214 563236202 /nfs/dbraw/zinc/23/62/02/563236202.db2.gz KHGHYAKHXHCKRE-UHFFFAOYSA-N 0 0 344.720 4.291 50 0 EIAARN Cc1ccc(NC(=O)COc2ccccc2C)c(Br)c1 ZINC000000130076 563238093 /nfs/dbraw/zinc/23/80/93/563238093.db2.gz LBPDGFBMIMLZEK-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)c3nc4ccccc4s3)c2)n1 ZINC000000131122 563238387 /nfs/dbraw/zinc/23/83/87/563238387.db2.gz PQEILOPDJOMKBC-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN CCOC(=O)c1cnc2c(Cl)cccc2c1NCc1ccco1 ZINC000000141067 563241968 /nfs/dbraw/zinc/24/19/68/563241968.db2.gz BVGFJTHUJAKGNX-UHFFFAOYSA-N 0 0 330.771 4.270 50 0 EIAARN CCOc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2)cc1 ZINC000000144507 563243582 /nfs/dbraw/zinc/24/35/82/563243582.db2.gz WYNRPLDVNIZCBS-LFYBBSHMSA-N 0 0 347.208 4.467 50 0 biogenic EIAARN c1csc(-c2ccnc(SCc3ccc4nonc4c3)n2)c1 ZINC000000148401 563245151 /nfs/dbraw/zinc/24/51/51/563245151.db2.gz PCNVVNRRDWXBTM-UHFFFAOYSA-N 0 0 326.406 4.034 50 0 EIAARN Cn1c(CSc2cccs2)nnc1SCc1ccccc1 ZINC000000148794 563245400 /nfs/dbraw/zinc/24/54/00/563245400.db2.gz RRRGBWJQGJNXRM-UHFFFAOYSA-N 0 0 333.507 4.461 50 0 EIAARN Fc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000154615 563247406 /nfs/dbraw/zinc/24/74/06/563247406.db2.gz ZKXINDRBTNUXPA-UHFFFAOYSA-N 0 0 336.395 4.247 50 0 EIAARN COC(=O)C(Cc1cccc(C)n1)(c1ccccc1)c1ccccc1 ZINC000000164338 563249197 /nfs/dbraw/zinc/24/91/97/563249197.db2.gz KJJSYRYJTJRJJO-UHFFFAOYSA-N 0 0 331.415 4.092 50 0 EIAARN O=c1oc(-c2cccnc2Oc2ccccc2)nc2cccc(F)c21 ZINC000000166926 563249903 /nfs/dbraw/zinc/24/99/03/563249903.db2.gz NCNGDJSBCZWSFY-UHFFFAOYSA-N 0 0 334.306 4.181 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccccc1 ZINC000000176004 563252996 /nfs/dbraw/zinc/25/29/96/563252996.db2.gz JUTAXFMKOAZTGB-UHFFFAOYSA-N 0 0 330.343 4.453 50 0 EIAARN CCOc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1 ZINC000000181516 563254112 /nfs/dbraw/zinc/25/41/12/563254112.db2.gz PPZBMHJMRXKEAZ-UHFFFAOYSA-N 0 0 342.420 4.021 50 0 EIAARN COc1ccccc1NC(=O)Nc1c(SC)nsc1SC ZINC000000180355 563254114 /nfs/dbraw/zinc/25/41/14/563254114.db2.gz LRAWBROWRLBCOI-UHFFFAOYSA-N 0 0 341.483 4.240 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1cccs1 ZINC000000182089 563254468 /nfs/dbraw/zinc/25/44/68/563254468.db2.gz YTWAVRRKBKFWBN-UHFFFAOYSA-N 0 0 348.383 4.169 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 ZINC000000182178 563254504 /nfs/dbraw/zinc/25/45/04/563254504.db2.gz IYLHLBFZNQRKTO-FNORWQNLSA-N 0 0 335.281 4.086 50 0 EIAARN CC1=CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C1 ZINC000000188250 563255491 /nfs/dbraw/zinc/25/54/91/563255491.db2.gz KMFCGRFHIFHIHO-OALUTQOASA-N 0 0 333.387 4.325 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1ccccc1 ZINC000000208343 563260423 /nfs/dbraw/zinc/26/04/23/563260423.db2.gz OZSRSXLGGAAWHS-FQEVSTJZSA-N 0 0 344.370 4.186 50 0 EIAARN CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000250166 563266874 /nfs/dbraw/zinc/26/68/74/563266874.db2.gz RZJSRBWZZRNCTP-AWEZNQCLSA-N 0 0 325.408 4.057 50 0 EIAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2C)c(C)n1C ZINC000000254045 563267226 /nfs/dbraw/zinc/26/72/26/563267226.db2.gz UEIOVKGJYOCGOH-UHFFFAOYSA-N 0 0 348.830 4.033 50 0 EIAARN O=S(=O)(Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000255673 563267388 /nfs/dbraw/zinc/26/73/88/563267388.db2.gz NMPXIDGTXDZPLM-UHFFFAOYSA-N 0 0 349.761 4.301 50 0 EIAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCc2ccccc21 ZINC000000255716 563267435 /nfs/dbraw/zinc/26/74/35/563267435.db2.gz HBRUAWZQFRHYCH-UHFFFAOYSA-N 0 0 342.247 4.135 50 0 EIAARN Cc1cccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)c1 ZINC000000269549 563269509 /nfs/dbraw/zinc/26/95/09/563269509.db2.gz IUUZUFVSKDVYHW-UHFFFAOYSA-N 0 0 348.431 4.171 50 0 EIAARN Cc1nnc(SCC(=O)N2c3ccccc3C(C)=CC2(C)C)s1 ZINC000000302942 563276365 /nfs/dbraw/zinc/27/63/65/563276365.db2.gz SDNQPTFNMRJBPB-UHFFFAOYSA-N 0 0 345.493 4.167 50 0 EIAARN CCc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 ZINC000000303485 563276651 /nfs/dbraw/zinc/27/66/51/563276651.db2.gz YDYKEXGXDJRVML-UHFFFAOYSA-N 0 0 325.437 4.310 50 0 EIAARN COc1ccc2c(Cl)c(C(=O)N3CCCC3)sc2c1Cl ZINC000000312750 563281759 /nfs/dbraw/zinc/28/17/59/563281759.db2.gz RGXSCEVYDZTZKJ-UHFFFAOYSA-N 0 0 330.236 4.453 50 0 EIAARN COc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000000328734 563284993 /nfs/dbraw/zinc/28/49/93/563284993.db2.gz WYBLUOWMPSRKPA-UHFFFAOYSA-N 0 0 348.855 4.092 50 0 EIAARN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccco1 ZINC000000345150 563287685 /nfs/dbraw/zinc/28/76/85/563287685.db2.gz IGJTYECNPMHUEL-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN Cc1ccc(OC(=O)c2ccc(F)cc2)c(-n2nc3ccccc3n2)c1 ZINC000000348322 563288642 /nfs/dbraw/zinc/28/86/42/563288642.db2.gz FPBQBJHMLCXWEG-UHFFFAOYSA-N 0 0 347.349 4.087 50 0 EIAARN c1c(-c2ccccc2)sc2ncnc(-n3nnc4ccccc43)c12 ZINC000000351217 563289464 /nfs/dbraw/zinc/28/94/64/563289464.db2.gz ZQKHZVQPRSLBOX-UHFFFAOYSA-N 0 0 329.388 4.092 50 0 EIAARN Cc1cc(N)n(-c2ncnc3scc(-c4ccc(Cl)cc4)c32)n1 ZINC000000351583 563289817 /nfs/dbraw/zinc/28/98/17/563289817.db2.gz CJVYTORHCUQKCG-UHFFFAOYSA-N 0 0 341.827 4.088 50 0 EIAARN CC1(C)C(=O)[C@@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@@H]1C2 ZINC000000352936 563290112 /nfs/dbraw/zinc/29/01/12/563290112.db2.gz ARZVELAWNXFNEU-JDNHERCYSA-N 0 0 326.223 4.327 50 0 EIAARN Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3C)sc2c1 ZINC000000365090 563296033 /nfs/dbraw/zinc/29/60/33/563296033.db2.gz OSXRFADDLOHOOK-CYBMUJFWSA-N 0 0 326.421 4.319 50 0 EIAARN COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccccc2C)cc1Cl ZINC000000364950 563296037 /nfs/dbraw/zinc/29/60/37/563296037.db2.gz XULGCCYBOWBLBJ-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN COc1cc(OC)c(C(=O)Oc2cc(C)ccc2C(C)C)cc1OC ZINC000000365237 563296098 /nfs/dbraw/zinc/29/60/98/563296098.db2.gz UDHAJPVPICVXDQ-UHFFFAOYSA-N 0 0 344.407 4.363 50 0 EIAARN Cc1cc(O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1Cl ZINC000000370733 563297428 /nfs/dbraw/zinc/29/74/28/563297428.db2.gz PZSXEAMCFUOFNM-CYBMUJFWSA-N 0 0 332.831 4.120 50 0 EIAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(F)cc1 ZINC000000380512 563299663 /nfs/dbraw/zinc/29/96/63/563299663.db2.gz AOUNAWRHRYXSFA-UHFFFAOYSA-N 0 0 331.350 4.393 50 0 EIAARN CN(C)c1ccc(NC(=O)CSc2nc(C(C)(C)C)cs2)cc1 ZINC000000386170 563302833 /nfs/dbraw/zinc/30/28/33/563302833.db2.gz ZOHCMFLKKCZWSO-UHFFFAOYSA-N 0 0 349.525 4.237 50 0 EIAARN Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000000387143 563303176 /nfs/dbraw/zinc/30/31/76/563303176.db2.gz GHDOOYGJEYIRQF-MRXNPFEDSA-N 0 0 329.465 4.225 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@@H](C)O1 ZINC000000397255 563304866 /nfs/dbraw/zinc/30/48/66/563304866.db2.gz LLZDCBIOKUESQB-HTQZYQBOSA-N 0 0 337.634 4.288 50 0 EIAARN COc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 ZINC000000398402 563305126 /nfs/dbraw/zinc/30/51/26/563305126.db2.gz ASORVVPNTODYQT-UHFFFAOYSA-N 0 0 336.775 4.010 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000000398448 563305635 /nfs/dbraw/zinc/30/56/35/563305635.db2.gz VWGAAELMIVKTEY-UHFFFAOYSA-N 0 0 348.786 4.169 50 0 EIAARN O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccc(F)c(Cl)c1 ZINC000000423740 563309828 /nfs/dbraw/zinc/30/98/28/563309828.db2.gz CSWNOJBBOGZOBI-HNNXBMFYSA-N 0 0 325.767 4.397 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1cccc(Cl)c1)c1ccccc1O2 ZINC000000424759 563309893 /nfs/dbraw/zinc/30/98/93/563309893.db2.gz DHCQHAGVTIFFJU-RHSMWYFYSA-N 0 0 330.840 4.275 50 0 EIAARN O=C(NC1CCCC1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425702 563310068 /nfs/dbraw/zinc/31/00/68/563310068.db2.gz RTXLIYJWVAMJIT-UHFFFAOYSA-N 0 0 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EIAARN O=C(COc1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1 ZINC000002591066 563443626 /nfs/dbraw/zinc/44/36/26/563443626.db2.gz WDQDUXRLFBZDRQ-UHFFFAOYSA-N 0 0 336.775 4.106 50 0 EIAARN CC(=O)Nc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002754544 563449132 /nfs/dbraw/zinc/44/91/32/563449132.db2.gz JUPMFYAEFAOITF-UHFFFAOYSA-N 0 0 337.807 4.246 50 0 EIAARN CCCCC(=O)Nc1cccc(NC(=O)COc2cccc(C)c2)c1 ZINC000002830281 563453236 /nfs/dbraw/zinc/45/32/36/563453236.db2.gz SGERGPJHMNOJCD-UHFFFAOYSA-N 0 0 340.423 4.141 50 0 EIAARN O=C(NC1CCCCC1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000002842750 563454977 /nfs/dbraw/zinc/45/49/77/563454977.db2.gz HQSZCJFRYCQMER-UHFFFAOYSA-N 0 0 346.430 4.238 50 0 EIAARN O=c1c2ccccc2ncn1CCCOc1cc(Cl)ccc1Cl ZINC000002862812 563457423 /nfs/dbraw/zinc/45/74/23/563457423.db2.gz WRUFEXCASKGIPB-UHFFFAOYSA-N 0 0 349.217 4.172 50 0 EIAARN CSc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000002875332 563459710 /nfs/dbraw/zinc/45/97/10/563459710.db2.gz OBGSXDOGZGGWDA-UHFFFAOYSA-N 0 0 347.383 4.228 50 0 EIAARN O=C(CSCc1c(F)cccc1Cl)N1CCc2ccccc2C1 ZINC000002876841 563460099 /nfs/dbraw/zinc/46/00/99/563460099.db2.gz DDBGQYSJTFDITC-UHFFFAOYSA-N 0 0 349.858 4.297 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(C(C)C)cc1 ZINC000003004698 563469566 /nfs/dbraw/zinc/46/95/66/563469566.db2.gz MHVQWLJGZZZRNJ-UHFFFAOYSA-N 0 0 344.842 4.027 50 0 EIAARN NN(Cc1ccccc1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000003257510 563478129 /nfs/dbraw/zinc/47/81/29/563478129.db2.gz CSZPZXHGANOWNS-UHFFFAOYSA-N 0 0 326.252 4.066 50 0 EIAARN Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)c(C)o1 ZINC000003415303 563484580 /nfs/dbraw/zinc/48/45/80/563484580.db2.gz TUYCVEKDAWBSEH-UHFFFAOYSA-N 0 0 330.128 4.189 50 0 EIAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccoc1C ZINC000003613368 563487199 /nfs/dbraw/zinc/48/71/99/563487199.db2.gz ZUERWCREGSVSSA-UHFFFAOYSA-N 0 0 341.388 4.355 50 0 EIAARN Brc1ccc2[nH]cc(C3=CCC4(CC3)OCCO4)c2c1 ZINC000003883960 563490134 /nfs/dbraw/zinc/49/01/34/563490134.db2.gz ZGKVTJQGVWHCDH-UHFFFAOYSA-N 0 0 334.213 4.241 50 0 EIAARN FC(F)(F)c1nc(NCCc2ccccc2)nc2c1CCCCC2 ZINC000003896200 563490536 /nfs/dbraw/zinc/49/05/36/563490536.db2.gz PSDGEBFYKLQYIH-UHFFFAOYSA-N 0 0 335.373 4.419 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(O)cc2)on1 ZINC000003907787 563491071 /nfs/dbraw/zinc/49/10/71/563491071.db2.gz JZRYBXQMOMQNJF-UHFFFAOYSA-N 0 0 348.280 4.318 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 ZINC000003908269 563491260 /nfs/dbraw/zinc/49/12/60/563491260.db2.gz ARFBHIMKCQVSAZ-UHFFFAOYSA-N 0 0 340.766 4.450 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000004163715 563496545 /nfs/dbraw/zinc/49/65/45/563496545.db2.gz BEXNLKFMGCQZDZ-UHFFFAOYSA-N 0 0 326.783 4.260 50 0 EIAARN Cc1ccc(N2CCN(C(=O)N(C)c3ccccc3)CC2)cc1Cl ZINC000004190210 563497211 /nfs/dbraw/zinc/49/72/11/563497211.db2.gz IGKQPJVQCMQKCX-UHFFFAOYSA-N 0 0 343.858 4.027 50 0 EIAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)N(c1ccccc1)c1ccccc1)OC2=O ZINC000004185885 563497233 /nfs/dbraw/zinc/49/72/33/563497233.db2.gz UOAFRVOULZECKY-FCHUYYIVSA-N 0 0 349.430 4.473 50 0 EIAARN Cc1ccc(S(=O)(=O)N[C@H](C)Cc2csc3ccccc23)cc1 ZINC000004237585 563498336 /nfs/dbraw/zinc/49/83/36/563498336.db2.gz SPEPQRSPYPTJKR-CQSZACIVSA-N 0 0 345.489 4.119 50 0 EIAARN CC(=O)Oc1cccc2ccc(/C=C/c3ccc4c(c3)OCO4)nc21 ZINC000004302794 563499395 /nfs/dbraw/zinc/49/93/95/563499395.db2.gz QFFGNNWJDYZPGF-VMPITWQZSA-N 0 0 333.343 4.059 50 0 EIAARN Cc1cc2[nH]c(C(=O)NCCSCc3ccco3)cc2c(C)c1 ZINC000004333791 563500412 /nfs/dbraw/zinc/50/04/12/563500412.db2.gz JCIIUJNXSXVHMD-UHFFFAOYSA-N 0 0 328.437 4.041 50 0 EIAARN CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O ZINC000004457106 563502990 /nfs/dbraw/zinc/50/29/90/563502990.db2.gz YHKRMUYDMVTNKX-PILJQMSFSA-N 0 0 344.411 4.451 50 0 EIAARN CC(=O)Nc1ccc(Sc2cc(NC3CCCCC3)ncn2)cc1 ZINC000004658739 563506827 /nfs/dbraw/zinc/50/68/27/563506827.db2.gz WCKKAEZUJAGKHM-UHFFFAOYSA-N 0 0 342.468 4.331 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004659180 563506919 /nfs/dbraw/zinc/50/69/19/563506919.db2.gz KGJZVZOWHOFLDX-UHFFFAOYSA-N 0 0 325.408 4.413 50 0 EIAARN CCOc1ccc(CC(=O)Nc2ccc(C)c(C)c2)cc1OCC ZINC000004657065 563507022 /nfs/dbraw/zinc/50/70/22/563507022.db2.gz DIZQBCCCSICOOH-UHFFFAOYSA-N 0 0 327.424 4.282 50 0 EIAARN Cc1cc(C)c(C)c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000004664516 563507026 /nfs/dbraw/zinc/50/70/26/563507026.db2.gz ISLZQOUNUXFPIZ-UHFFFAOYSA-N 0 0 327.468 4.076 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000004666587 563507275 /nfs/dbraw/zinc/50/72/75/563507275.db2.gz FVQKRLCARKCLHF-UHFFFAOYSA-N 0 0 349.386 4.034 50 0 EIAARN CCOc1ccc(C(O)(c2ccncc2)c2ccc(OCC)cc2)cc1 ZINC000004677003 563507751 /nfs/dbraw/zinc/50/77/51/563507751.db2.gz CVXPBMHUYIQSSC-UHFFFAOYSA-N 0 0 349.430 4.163 50 0 EIAARN O=C(Nc1ccccc1)C(=O)NC1CCCCCCCCCCC1 ZINC000004694308 563508135 /nfs/dbraw/zinc/50/81/35/563508135.db2.gz LYXWHYFCXFDYRX-UHFFFAOYSA-N 0 0 330.472 4.415 50 0 EIAARN CCCCCc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 ZINC000004696336 563508139 /nfs/dbraw/zinc/50/81/39/563508139.db2.gz RHWLEUJQMREGSS-UHFFFAOYSA-N 0 0 341.839 4.245 50 0 EIAARN CCc1cc(OCCOc2ccc(C=O)cc2OC)ccc1Cl ZINC000004702078 563508650 /nfs/dbraw/zinc/50/86/50/563508650.db2.gz XJAGRBHIFJUMFI-UHFFFAOYSA-N 0 0 334.799 4.181 50 0 EIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000004749708 563509967 /nfs/dbraw/zinc/50/99/67/563509967.db2.gz KNVOCVZOVURAIR-SNVBAGLBSA-N 0 0 325.195 4.103 50 0 EIAARN COc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000004815974 563511952 /nfs/dbraw/zinc/51/19/52/563511952.db2.gz MZSXMMIXKYTCGW-UHFFFAOYSA-N 0 0 325.477 4.325 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2Br)c1 ZINC000004840191 563512723 /nfs/dbraw/zinc/51/27/23/563512723.db2.gz XAGXWRFEDFUBLN-GFCCVEGCSA-N 0 0 334.213 4.164 50 0 EIAARN O=C(NC(=S)Nc1cccnc1)c1cccc2c(Cl)cccc12 ZINC000004842959 563512989 /nfs/dbraw/zinc/51/29/89/563512989.db2.gz PQGLSYNFYXUKKY-UHFFFAOYSA-N 0 0 341.823 4.015 50 0 EIAARN CCCC[C@@H](CC)CNC(=O)CCC(=O)NC[C@H](CC)CCCC ZINC000004904891 563515076 /nfs/dbraw/zinc/51/50/76/563515076.db2.gz HFROAVSQZYUARR-QZTJIDSGSA-N 0 0 340.552 4.432 50 0 EIAARN CC[C@@H](Oc1ccccc1)c1nn2c(nnc2-c2cccs2)s1 ZINC000004939253 563515850 /nfs/dbraw/zinc/51/58/50/563515850.db2.gz VWSCVWSURWOTQE-GFCCVEGCSA-N 0 0 342.449 4.444 50 0 EIAARN O=c1[nH]c2ccc(NCc3ccc(-c4ccc(Cl)cc4)o3)cc2[nH]1 ZINC000004973806 563516563 /nfs/dbraw/zinc/51/65/63/563516563.db2.gz KKMLQLYDCYSQHK-UHFFFAOYSA-N 0 0 339.782 4.382 50 0 aggregator EIAARN COc1cc2ccccc2cc1C(=O)Nc1c2nsnc2ccc1C ZINC000005008240 563518551 /nfs/dbraw/zinc/51/85/51/563518551.db2.gz UJUOYRYFKINZLF-UHFFFAOYSA-N 0 0 349.415 4.414 50 0 EIAARN COc1ccc(OC)c([C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000005028117 563519364 /nfs/dbraw/zinc/51/93/64/563519364.db2.gz JSCVHYBJWHGSCM-BUBBNXEVSA-N 0 0 343.467 4.097 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)OC)C[C@H](C(C)(C)C)CC2 ZINC000005020883 563519369 /nfs/dbraw/zinc/51/93/69/563519369.db2.gz OVFXWNYRSQMFEV-SNVBAGLBSA-N 0 0 339.457 4.254 50 0 EIAARN COc1ccccc1-c1csc(NC(=O)c2sc(C)nc2C)n1 ZINC000005183502 563522148 /nfs/dbraw/zinc/52/21/48/563522148.db2.gz NVTYTRKEKSCBDS-UHFFFAOYSA-N 0 0 345.449 4.144 50 0 EIAARN C[C@]12CCC[C@@H]1[C@@H]1C[C@H](O)[C@H]3CC4(CC[C@]3(C)[C@@H]1CC2)OCCO4 ZINC000005276537 563525283 /nfs/dbraw/zinc/52/52/83/563525283.db2.gz IDOHVJIGNBUAFN-BDBHOTGSSA-N 0 0 334.500 4.133 50 0 EIAARN CCCCCC[C@H](C)OC(=O)CCn1c2ccccc2sc1=O ZINC000005502428 563535715 /nfs/dbraw/zinc/53/57/15/563535715.db2.gz XUYFLVUMCJHGRW-AWEZNQCLSA-N 0 0 335.469 4.355 50 0 EIAARN O=C(NC(=S)Nc1cccc(SC(F)F)c1)c1cccs1 ZINC000005571669 563540367 /nfs/dbraw/zinc/54/03/67/563540367.db2.gz LZSKUOWVLOJSBQ-UHFFFAOYSA-N 0 0 344.433 4.190 50 0 EIAARN CCOP(=O)(OCC)c1c(O)cc(C(C)C)c(O)c1C(C)C ZINC000005592919 563541750 /nfs/dbraw/zinc/54/17/50/563541750.db2.gz UYHKCUDYDNYYPI-UHFFFAOYSA-N 0 0 330.361 4.236 50 0 EIAARN CCOc1ccccc1NC(=O)CSc1ccc2ccccc2n1 ZINC000005627387 563543383 /nfs/dbraw/zinc/54/33/83/563543383.db2.gz KCRDTKNZUZJPCL-UHFFFAOYSA-N 0 0 338.432 4.364 50 0 EIAARN S=C1N=NC(COc2cccc3ccccc32)N1c1ccccc1 ZINC000005687918 563545826 /nfs/dbraw/zinc/54/58/26/563545826.db2.gz MXVHEZOEAAPXQC-UHFFFAOYSA-N 0 0 333.416 4.288 50 0 EIAARN O=C1C[C@@H](c2cccc(F)c2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000005886383 563553231 /nfs/dbraw/zinc/55/32/31/563553231.db2.gz YRESJNCXKRKYGY-AWEZNQCLSA-N 0 0 341.773 4.343 50 0 EIAARN Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1 ZINC000006697587 563578626 /nfs/dbraw/zinc/57/86/26/563578626.db2.gz OGEALEWTEAIZEN-UHFFFAOYSA-N 0 0 326.783 4.214 50 0 EIAARN COC[C@H](C)NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000006701267 563579644 /nfs/dbraw/zinc/57/96/44/563579644.db2.gz JDBDUSAACFOAJH-HNNXBMFYSA-N 0 0 329.465 4.052 50 0 EIAARN CCCCc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000006714797 563582029 /nfs/dbraw/zinc/58/20/29/563582029.db2.gz XZLAHDJFNMNEPR-UHFFFAOYSA-N 0 0 337.467 4.383 50 0 EIAARN CCCCNc1nc2c(-c3cccc(F)c3)nnn2c2ccccc21 ZINC000002698629 563602343 /nfs/dbraw/zinc/60/23/43/563602343.db2.gz FEJLCCBCXPPUBX-UHFFFAOYSA-N 0 0 335.386 4.296 50 0 EIAARN Cc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnccn21 ZINC000007498955 563603118 /nfs/dbraw/zinc/60/31/18/563603118.db2.gz RAYJREMKMVCNNR-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN c1nc(COc2ccccc2N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000097377008 563605533 /nfs/dbraw/zinc/60/55/33/563605533.db2.gz IGWZEKRACFEXMG-OLMNPRSZSA-N 0 0 342.464 4.092 50 0 EIAARN C[C@H](c1ccccc1)n1c(CCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000007546536 563606059 /nfs/dbraw/zinc/60/60/59/563606059.db2.gz MLSSRHCCRFUSMP-MRXNPFEDSA-N 0 0 349.478 4.350 50 0 EIAARN COc1cccc([C@H](C)NC(=O)c2csc3c2CC[C@@H](C)C3)c1 ZINC000002730438 563609034 /nfs/dbraw/zinc/60/90/34/563609034.db2.gz IJLMIQZTLLFXAO-OLZOCXBDSA-N 0 0 329.465 4.373 50 0 EIAARN COC(C(=O)Nc1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000002749485 563611647 /nfs/dbraw/zinc/61/16/47/563611647.db2.gz KXCNBPQXDFBRDD-UHFFFAOYSA-N 0 0 335.378 4.354 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1cc(C)ccc1Cl ZINC000008022407 563619377 /nfs/dbraw/zinc/61/93/77/563619377.db2.gz 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/nfs/dbraw/zinc/63/57/53/563635753.db2.gz ZIJJNHMJIHJFSI-UHFFFAOYSA-N 0 0 346.382 4.226 50 0 EIAARN CCN(C(=O)[C@H](C)Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000008746271 563639223 /nfs/dbraw/zinc/63/92/23/563639223.db2.gz ZUYQMOSSEYQGJP-ZDUSSCGKSA-N 0 0 325.437 4.097 50 0 EIAARN COc1ccc(C)cc1NC(=O)/C=C/c1cccc(Br)c1 ZINC000002534675 563640383 /nfs/dbraw/zinc/64/03/83/563640383.db2.gz NCJLTDYGEGBWFA-VQHVLOKHSA-N 0 0 346.224 4.418 50 0 EIAARN Cc1occc1C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000008908247 563640715 /nfs/dbraw/zinc/64/07/15/563640715.db2.gz YSGGHTYISDAUQS-UHFFFAOYSA-N 0 0 346.342 4.009 50 0 EIAARN CCN(CC(=O)Nc1c(C)cc(C)cc1C)c1ccc(F)c(F)c1 ZINC000097494522 563640777 /nfs/dbraw/zinc/64/07/77/563640777.db2.gz CFAURVQPQJDYJS-UHFFFAOYSA-N 0 0 332.394 4.355 50 0 EIAARN Cc1c(C)n(Cc2ccccn2)c2ncnc(NCc3ccccc3)c12 ZINC000008992594 563641132 /nfs/dbraw/zinc/64/11/32/563641132.db2.gz XGPZLVFMRCKARM-UHFFFAOYSA-N 0 0 343.434 4.104 50 0 EIAARN Clc1ccccc1/C=C/c1nn2c(nnc2-c2ccccn2)s1 ZINC000008990741 563641161 /nfs/dbraw/zinc/64/11/61/563641161.db2.gz JOSVGJYLYHARIY-CMDGGOBGSA-N 0 0 339.811 4.072 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2C)c1 ZINC000009230824 563643036 /nfs/dbraw/zinc/64/30/36/563643036.db2.gz XKZRCZXHUMBAOC-QGZVFWFLSA-N 0 0 340.423 4.140 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(C)cc2C)cc1 ZINC000004322999 563645158 /nfs/dbraw/zinc/64/51/58/563645158.db2.gz XNXIDTQWPHXCRU-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN Fc1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)cc1 ZINC000004326739 563648307 /nfs/dbraw/zinc/64/83/07/563648307.db2.gz GSBAZCADEZLKKV-UHFFFAOYSA-N 0 0 342.424 4.284 50 0 aggregator EIAARN CC(C)Cc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 ZINC000011278541 563649700 /nfs/dbraw/zinc/64/97/00/563649700.db2.gz UASYYMRFDOJBQQ-UHFFFAOYSA-N 0 0 327.240 4.358 50 0 EIAARN CC[C@H](Nc1nncc(-c2ccccc2)n1)c1nc2cc(C)ccc2[nH]1 ZINC000011664292 563650331 /nfs/dbraw/zinc/65/03/31/563650331.db2.gz FAYHTWYTKGKAAM-HNNXBMFYSA-N 0 0 344.422 4.287 50 0 EIAARN 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Cc1cccnc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1Cl ZINC000013326263 563694950 /nfs/dbraw/zinc/69/49/50/563694950.db2.gz QSIDFVCGZXCWBC-UHFFFAOYSA-N 0 0 339.222 4.493 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000013325664 563694971 /nfs/dbraw/zinc/69/49/71/563694971.db2.gz LEEPGPWUJJJSAH-UHFFFAOYSA-N 0 0 343.608 4.214 50 0 EIAARN O=C(Nc1ccc2c(c1)CCC2)c1c(F)c(F)c(F)c(F)c1F ZINC000013326435 563695316 /nfs/dbraw/zinc/69/53/16/563695316.db2.gz KQYQJWDVWPXZRR-UHFFFAOYSA-N 0 0 327.252 4.123 50 0 EIAARN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc(C(C)(C)C)on2)c1 ZINC000013331297 563696386 /nfs/dbraw/zinc/69/63/86/563696386.db2.gz XXSCXWMQMSMHTR-LLVKDONJSA-N 0 0 336.819 4.340 50 0 EIAARN Cc1cccc(N2CCN(C(=O)c3csc(C(C)C)c3)CC2)c1C ZINC000013331995 563696687 /nfs/dbraw/zinc/69/66/87/563696687.db2.gz ALLMRKVQFMTUCV-UHFFFAOYSA-N 0 0 342.508 4.451 50 0 EIAARN O=C(Nc1nnc(-c2cccc(F)c2)s1)Nc1ccccc1F ZINC000013569877 563702185 /nfs/dbraw/zinc/70/21/85/563702185.db2.gz OAMGCVIXQZHBCR-UHFFFAOYSA-N 0 0 332.335 4.127 50 0 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333.457 4.382 50 0 EIAARN Cc1cnc(NC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)s1 ZINC000014111928 563741686 /nfs/dbraw/zinc/74/16/86/563741686.db2.gz XROPLSGPTVGVHF-YOGCLGLASA-N 0 0 340.539 4.003 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2ccc3ncsc3c2)cc1Cl ZINC000014122994 563743139 /nfs/dbraw/zinc/74/31/39/563743139.db2.gz DQALZIFSMKFJPY-UHFFFAOYSA-N 0 0 345.811 4.160 50 0 EIAARN CN1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000014169343 563746583 /nfs/dbraw/zinc/74/65/83/563746583.db2.gz CZPKQOFBIYHQNA-UHFFFAOYSA-N 0 0 349.459 4.050 50 0 EIAARN CS(=O)(=O)c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 ZINC000014184516 563748156 /nfs/dbraw/zinc/74/81/56/563748156.db2.gz VQYZHBCBEGTTFS-UHFFFAOYSA-N 0 0 348.424 4.096 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)NCCc2c[nH]c3ccccc23)cc1C ZINC000014184066 563748168 /nfs/dbraw/zinc/74/81/68/563748168.db2.gz VQDLVAYMSSMADQ-UHFFFAOYSA-N 0 0 348.446 4.107 50 0 EIAARN O=C(NCCc1ccccc1F)c1ccccc1SC(F)(F)F ZINC000032816222 563750038 /nfs/dbraw/zinc/75/00/38/563750038.db2.gz ZLHSLQLQGVAPCJ-UHFFFAOYSA-N 0 0 343.345 4.410 50 0 EIAARN O=C(CCC(=O)c1ccc2ccccc2c1)NCCc1cccs1 ZINC000014202048 563750554 /nfs/dbraw/zinc/75/05/54/563750554.db2.gz WRURWXCJRJCDDF-UHFFFAOYSA-N 0 0 337.444 4.223 50 0 EIAARN CCn1c(SCc2ccc3c(c2)OCO3)nnc1-c1cccs1 ZINC000004516565 563752486 /nfs/dbraw/zinc/75/24/86/563752486.db2.gz JCRUDIWSOQPHLL-UHFFFAOYSA-N 0 0 345.449 4.048 50 0 EIAARN COc1ccccc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000014241513 563753961 /nfs/dbraw/zinc/75/39/61/563753961.db2.gz CEDXDAYUBGTISW-AWEZNQCLSA-N 0 0 333.840 4.316 50 0 EIAARN O=C(NCCC1=CCCCC1)c1cc(F)ccc1Br ZINC000014245991 563755015 /nfs/dbraw/zinc/75/50/15/563755015.db2.gz WRQIITDVDQAQOR-UHFFFAOYSA-N 0 0 326.209 4.209 50 0 EIAARN CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCC2 ZINC000004537675 563760547 /nfs/dbraw/zinc/76/05/47/563760547.db2.gz ZXAJNFHXTKNJPV-UHFFFAOYSA-N 0 0 343.452 4.013 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000014836114 563765748 /nfs/dbraw/zinc/76/57/48/563765748.db2.gz YCLKGKDBLPWDPT-UHFFFAOYSA-N 0 0 336.435 4.264 50 0 EIAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(C(C)C)o1 ZINC000032863512 563765788 /nfs/dbraw/zinc/76/57/88/563765788.db2.gz FCQVNHHSTQLLMP-UHFFFAOYSA-N 0 0 333.457 4.049 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2)n1 ZINC000015011155 563771774 /nfs/dbraw/zinc/77/17/74/563771774.db2.gz VUHGTRXRZLALQR-UHFFFAOYSA-N 0 0 327.334 4.020 50 0 EIAARN Cc1ccc(-c2nnc3n2N=C(c2c[nH]c4ccccc42)CS3)cc1 ZINC000015017302 563772967 /nfs/dbraw/zinc/77/29/67/563772967.db2.gz NCYHIGOAXOZJLN-UHFFFAOYSA-N 0 0 345.431 4.093 50 0 EIAARN O=C(CC1=CCCCC1)N1CCC[C@](CO)(CCc2ccccc2)C1 ZINC000015064735 563774654 /nfs/dbraw/zinc/77/46/54/563774654.db2.gz RXFDIXMITAOZKD-QFIPXVFZSA-N 0 0 341.495 4.111 50 0 EIAARN COCc1ccc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)o1 ZINC000015064308 563774669 /nfs/dbraw/zinc/77/46/69/563774669.db2.gz KUOYJJYMNHKRLA-OAHLLOKOSA-N 0 0 347.842 4.174 50 0 EIAARN O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1 ZINC000015086449 563777601 /nfs/dbraw/zinc/77/76/01/563777601.db2.gz NPJXBTFQMXJOAG-UHFFFAOYSA-N 0 0 342.748 4.087 50 0 EIAARN CN(C)C(=O)c1ccc(Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000015114262 563778728 /nfs/dbraw/zinc/77/87/28/563778728.db2.gz KASILFXYKCNHPO-UHFFFAOYSA-N 0 0 343.736 4.199 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1cccc(C)c1C ZINC000015288669 563781141 /nfs/dbraw/zinc/78/11/41/563781141.db2.gz OCHSTFBXHXPGPE-UHFFFAOYSA-N 0 0 348.450 4.157 50 0 EIAARN CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1cccc(F)c1 ZINC000015300412 563781457 /nfs/dbraw/zinc/78/14/57/563781457.db2.gz FBMSQZPUAQBGNT-UHFFFAOYSA-N 0 0 331.778 4.161 50 0 EIAARN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1ccc2ccccc2c1 ZINC000015306411 563781843 /nfs/dbraw/zinc/78/18/43/563781843.db2.gz YQZUQXJAGJQTOU-SFHVURJKSA-N 0 0 346.474 4.491 50 0 EIAARN CCOc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000015307297 563781964 /nfs/dbraw/zinc/78/19/64/563781964.db2.gz UVGFPVDJCRFIPE-RLFYNMQTSA-N 0 0 347.455 4.172 50 0 EIAARN C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccccc1C(F)(F)F ZINC000015352181 563783534 /nfs/dbraw/zinc/78/35/34/563783534.db2.gz RGUOJDSWXASIKE-CYBMUJFWSA-N 0 0 348.368 4.485 50 0 EIAARN COc1ccc(-c2cc(C)c3ccccc3n2)cc1CN1CCOCC1 ZINC000015453916 563784704 /nfs/dbraw/zinc/78/47/04/563784704.db2.gz CIIULKGRNPKCTA-UHFFFAOYSA-N 0 0 348.446 4.051 50 0 EIAARN COc1cc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1 ZINC000015580791 563787656 /nfs/dbraw/zinc/78/76/56/563787656.db2.gz USSQMJRJCRTVPF-UHFFFAOYSA-N 0 0 337.778 4.068 50 0 EIAARN O=C(CCSc1ccccc1F)Nc1cccc2ncccc21 ZINC000015760332 563791852 /nfs/dbraw/zinc/79/18/52/563791852.db2.gz MJTUEPCKBRCGAZ-UHFFFAOYSA-N 0 0 326.396 4.495 50 0 EIAARN O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccccc1F ZINC000015839937 563795066 /nfs/dbraw/zinc/79/50/66/563795066.db2.gz VPMOIOCFTZMLEG-GOSISDBHSA-N 0 0 340.785 4.394 50 0 EIAARN CCCc1cc([C@H]2CCCN2Cc2c[nH]nc2-c2cccs2)no1 ZINC000015866874 563797858 /nfs/dbraw/zinc/79/78/58/563797858.db2.gz UMWYAICNZDTUSV-MRXNPFEDSA-N 0 0 342.468 4.416 50 0 EIAARN O=S(=O)(c1ccccc1F)N1CCCCC[C@H]1c1cccs1 ZINC000015866830 563797870 /nfs/dbraw/zinc/79/78/70/563797870.db2.gz ZWVXTBKOFBAUFV-AWEZNQCLSA-N 0 0 339.457 4.193 50 0 EIAARN C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=N)c1ccccc1 ZINC000015951936 563800831 /nfs/dbraw/zinc/80/08/31/563800831.db2.gz APDPXEKRBJHPKU-LLVKDONJSA-N 0 0 326.783 4.057 50 0 EIAARN COc1ccc(C(=O)CSc2cccc3cccnc32)cc1OC ZINC000016227201 563806302 /nfs/dbraw/zinc/80/63/02/563806302.db2.gz CWULQENCADQNSG-UHFFFAOYSA-N 0 0 339.416 4.227 50 0 biogenic,in-vitro EIAARN COc1ccccc1C1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000004589623 563810575 /nfs/dbraw/zinc/81/05/75/563810575.db2.gz QDADBUZPSOGTOO-ZROIWOOFSA-N 0 0 348.185 4.347 50 0 EIAARN CCc1ccc2c(Cl)c(C(=O)N[C@H](C)[C@@H]3CCCO3)sc2c1 ZINC000016603882 563816571 /nfs/dbraw/zinc/81/65/71/563816571.db2.gz CISRYJMKUALXNK-MFKMUULPSA-N 0 0 337.872 4.414 50 0 EIAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl ZINC000016672094 563820215 /nfs/dbraw/zinc/82/02/15/563820215.db2.gz OQQWIGJNUJLEHO-DTORHVGOSA-N 0 0 347.629 4.149 50 0 EIAARN Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000016741341 563822146 /nfs/dbraw/zinc/82/21/46/563822146.db2.gz VJDVNXSDNBDVQE-UHFFFAOYSA-N 0 0 335.403 4.196 50 0 EIAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)cs2)cc1 ZINC000016742493 563822168 /nfs/dbraw/zinc/82/21/68/563822168.db2.gz UQNICBWSZLFOJY-UHFFFAOYSA-N 0 0 329.446 4.260 50 0 EIAARN COc1ccc(-c2cc(COC(=O)c3cc4ccccc4o3)on2)cc1 ZINC000010614378 563822909 /nfs/dbraw/zinc/82/29/09/563822909.db2.gz JPWMOGGSAXADSX-UHFFFAOYSA-N 0 0 349.342 4.453 50 0 EIAARN Cc1sc2nc3n(c(=O)c2c1C)CC=C(c1ccccc1)S3 ZINC000016755289 563822995 /nfs/dbraw/zinc/82/29/95/563822995.db2.gz SPJSAHSLFVFUHA-UHFFFAOYSA-N 0 0 326.446 4.222 50 0 EIAARN CCCCOc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000016780614 563824179 /nfs/dbraw/zinc/82/41/79/563824179.db2.gz AIHCRJSMPJNOKV-UHFFFAOYSA-N 0 0 337.416 4.114 50 0 EIAARN Cc1ccc(C(=O)Nc2nnc(CC3=CCCCC3)s2)cc1C ZINC000017056610 563830371 /nfs/dbraw/zinc/83/03/71/563830371.db2.gz PSZYICLYNGCDHZ-UHFFFAOYSA-N 0 0 327.453 4.450 50 0 EIAARN O=C(Nc1nnc(CSc2ccccc2)s1)Nc1ccccc1 ZINC000017057158 563830568 /nfs/dbraw/zinc/83/05/68/563830568.db2.gz SGMHUKUTPWWXPQ-UHFFFAOYSA-N 0 0 342.449 4.474 50 0 EIAARN Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000017067291 563831391 /nfs/dbraw/zinc/83/13/91/563831391.db2.gz JKHRRKXCSOGVAB-CYBMUJFWSA-N 0 0 328.437 4.080 50 0 EIAARN FC(F)(F)c1cc(Cl)ccc1NC(=S)NCc1ccco1 ZINC000017070547 563832687 /nfs/dbraw/zinc/83/26/87/563832687.db2.gz SRHDGCDRXQSBDH-UHFFFAOYSA-N 0 0 334.750 4.438 50 0 EIAARN CCOc1cccc(-c2cc(C(N)=O)c3ccc(Cl)c(C)c3n2)c1 ZINC000017071321 563834187 /nfs/dbraw/zinc/83/41/87/563834187.db2.gz YPYPNCSGHKSEBL-UHFFFAOYSA-N 0 0 340.810 4.361 50 0 EIAARN COc1cccc(CSc2nnc(-c3csc(C)c3C)n2C)c1 ZINC000017072032 563835354 /nfs/dbraw/zinc/83/53/54/563835354.db2.gz VEZIBYOJTBGWLR-UHFFFAOYSA-N 0 0 345.493 4.461 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3N2CCC[C@@H](C)C2)cc1Cl ZINC000017120856 563837129 /nfs/dbraw/zinc/83/71/29/563837129.db2.gz IFWBVMSZFZLUAG-GFCCVEGCSA-N 0 0 341.846 4.014 50 0 EIAARN COc1cc(C(=O)NCC(C)C)ccc1OCc1ccccc1Cl ZINC000017127645 563837750 /nfs/dbraw/zinc/83/77/50/563837750.db2.gz NZWWMBNULNSFRO-UHFFFAOYSA-N 0 0 347.842 4.313 50 0 EIAARN C[C@@H](NC(=O)CCc1ccsc1)c1cccc(OC(F)F)c1 ZINC000032930440 563840947 /nfs/dbraw/zinc/84/09/47/563840947.db2.gz GGECUJSPRGOLGK-LLVKDONJSA-N 0 0 325.380 4.160 50 0 EIAARN C[C@H](NC(=O)c1ccccc1Cl)c1cccc(OC(F)F)c1 ZINC000032931080 563842293 /nfs/dbraw/zinc/84/22/93/563842293.db2.gz LJUXLNGZPKCLJO-JTQLQIEISA-N 0 0 325.742 4.432 50 0 EIAARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccs1 ZINC000000428074 563843486 /nfs/dbraw/zinc/84/34/86/563843486.db2.gz IQMKXEUWBPTINE-LRDDRELGSA-N 0 0 332.446 4.129 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)cc1 ZINC000018086607 563848225 /nfs/dbraw/zinc/84/82/25/563848225.db2.gz CCGQLCQNDIVZCC-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN Cc1cccc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000019923738 563857365 /nfs/dbraw/zinc/85/73/65/563857365.db2.gz DSJATCFZSMVQKI-UHFFFAOYSA-N 0 0 347.821 4.142 50 0 EIAARN Cc1cc(OCC(=O)N2CCSc3ccccc32)ccc1Cl ZINC000021331640 563860584 /nfs/dbraw/zinc/86/05/84/563860584.db2.gz PHHDPZZAJHWBMH-UHFFFAOYSA-N 0 0 333.840 4.166 50 0 EIAARN O=C(Cn1ccnc1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000010809385 563861969 /nfs/dbraw/zinc/86/19/69/563861969.db2.gz NCHDXBSTDUKGOD-UHFFFAOYSA-N 0 0 343.839 4.326 50 0 EIAARN CC(=O)c1ccc(N2CCN(C/C(C)=C/c3ccccc3)CC2)cc1 ZINC000012342827 563862903 /nfs/dbraw/zinc/86/29/03/563862903.db2.gz IWEWKDWHLGZPKM-FBMGVBCBSA-N 0 0 334.463 4.115 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(Cl)c2F)c2cnn(C(C)C)c2n1 ZINC000010964659 563876930 /nfs/dbraw/zinc/87/69/30/563876930.db2.gz GEIAVMYIYJOTDN-UHFFFAOYSA-N 0 0 346.793 4.365 50 0 EIAARN Cc1ccsc1CNC(=O)CSCc1nc2ccccc2s1 ZINC000025998574 563889550 /nfs/dbraw/zinc/88/95/50/563889550.db2.gz RFZZCGGNLSLING-UHFFFAOYSA-N 0 0 348.518 4.216 50 0 EIAARN COc1ccc(CCNC(=O)c2cccc3c4c([nH]c32)CCCC4)cc1 ZINC000011027707 563901739 /nfs/dbraw/zinc/90/17/39/563901739.db2.gz AFRKDPWXKJGYLN-UHFFFAOYSA-N 0 0 348.446 4.028 50 0 EIAARN O=C(Nc1ccncc1)N(CCc1ccccc1F)C1CCCC1 ZINC000072277053 563903524 /nfs/dbraw/zinc/90/35/24/563903524.db2.gz QWCPWYGEYZYLBQ-UHFFFAOYSA-N 0 0 327.403 4.240 50 0 EIAARN Cc1ccc(C)c(OCC(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000032958747 563903895 /nfs/dbraw/zinc/90/38/95/563903895.db2.gz OZJPGVKFRLNRHU-UHFFFAOYSA-N 0 0 338.451 4.311 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCC[C@@H]1c1nccs1 ZINC000072285904 563907215 /nfs/dbraw/zinc/90/72/15/563907215.db2.gz NKBIUORBGBHHAM-IIAWOOMASA-N 0 0 330.428 4.140 50 0 EIAARN C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000072291528 563909092 /nfs/dbraw/zinc/90/90/92/563909092.db2.gz YDFARVQEWUXWFW-DOMZBBRYSA-N 0 0 342.826 4.211 50 0 EIAARN Cc1nnc(-c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)o1 ZINC000072292770 563910351 /nfs/dbraw/zinc/91/03/51/563910351.db2.gz NXJDAAXVCWVVHM-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccccc3F)C2)n1 ZINC000072298731 563912395 /nfs/dbraw/zinc/91/23/95/563912395.db2.gz VUTUWMYMQLCZQA-BMFZPTHFSA-N 0 0 344.455 4.100 50 0 EIAARN CCC(=O)N(C)c1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000072306824 563915714 /nfs/dbraw/zinc/91/57/14/563915714.db2.gz LKXRYZBNTPSNQQ-UHFFFAOYSA-N 0 0 334.778 4.104 50 0 EIAARN CC(C)c1ccc(CCC(=O)NCc2cc(Br)c[nH]2)cc1 ZINC000072311598 563920033 /nfs/dbraw/zinc/92/00/33/563920033.db2.gz AKGHVBISUZGWKE-UHFFFAOYSA-N 0 0 349.272 4.150 50 0 EIAARN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000013495200 563920903 /nfs/dbraw/zinc/92/09/03/563920903.db2.gz PBMVFBOHKAQXLX-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000072273901 563920932 /nfs/dbraw/zinc/92/09/32/563920932.db2.gz XRKSPDTYAZJJOC-ZACQAIPSSA-N 0 0 344.455 4.448 50 0 EIAARN COc1ccccc1C(=O)Nc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000097938551 563923050 /nfs/dbraw/zinc/92/30/50/563923050.db2.gz UVXVUTITZNXVAN-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN Cc1nn2c(ncc3c2ccn(CCC(C)C)c3=O)c1-c1ccccc1 ZINC000040387974 563923054 /nfs/dbraw/zinc/92/30/54/563923054.db2.gz SSQPLFFBLNXREI-UHFFFAOYSA-N 0 0 346.434 4.066 50 0 EIAARN Cc1ccc(-c2ncc(NC(=O)c3ccc(F)cc3Cl)cn2)cc1 ZINC000097938522 563923057 /nfs/dbraw/zinc/92/30/57/563923057.db2.gz XYSSMZLROYAUPF-UHFFFAOYSA-N 0 0 341.773 4.497 50 0 EIAARN Clc1cccc(-c2noc(NCc3ccn(C4CCCC4)n3)n2)c1 ZINC000301777751 563924480 /nfs/dbraw/zinc/92/44/80/563924480.db2.gz RMLYYMWQRZRROQ-UHFFFAOYSA-N 0 0 343.818 4.314 50 0 EIAARN O=C(COc1ccccc1)Nc1c(-c2cccs2)nc2ccccn21 ZINC000004597446 563925768 /nfs/dbraw/zinc/92/57/68/563925768.db2.gz SUMBOISKNIZQEN-UHFFFAOYSA-N 0 0 349.415 4.080 50 0 EIAARN CC(C)c1nc(CC(=O)N(CC2CCC2)CC(F)(F)F)cs1 ZINC000072314245 563930037 /nfs/dbraw/zinc/93/00/37/563930037.db2.gz JZAUAOYBPKNRCX-UHFFFAOYSA-N 0 0 334.407 4.000 50 0 EIAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cccc2nccnc21 ZINC000072314708 563930756 /nfs/dbraw/zinc/93/07/56/563930756.db2.gz JHFAONDMHIXXGJ-IBGZPJMESA-N 0 0 344.418 4.026 50 0 EIAARN CCCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)OC(C)(C)C)N1 ZINC000004616658 563932520 /nfs/dbraw/zinc/93/25/20/563932520.db2.gz ZHXKMYXZNYITID-CQSZACIVSA-N 0 0 338.370 4.205 50 0 EIAARN CCn1cc(NC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cn1 ZINC000043645540 563932932 /nfs/dbraw/zinc/93/29/32/563932932.db2.gz MSNIPKPJIKLPFH-SFHVURJKSA-N 0 0 342.443 4.061 50 0 EIAARN CCCCN(Cc1ccsc1)C(=O)c1ccc2cccnc2n1 ZINC000055211785 563934027 /nfs/dbraw/zinc/93/40/27/563934027.db2.gz UQYBZCPSPJLJSK-UHFFFAOYSA-N 0 0 325.437 4.134 50 0 EIAARN CC(C)[C@@H](C)N(Cc1ccco1)C(=O)Cc1ccc(O)c(Cl)c1 ZINC000055227095 563934035 /nfs/dbraw/zinc/93/40/35/563934035.db2.gz UFUDXEZTLJHLSA-CYBMUJFWSA-N 0 0 335.831 4.254 50 0 EIAARN Cc1ccc(N[C@@](C)(C(=O)NCc2ccncc2)c2ccccc2)cc1 ZINC000055212033 563934059 /nfs/dbraw/zinc/93/40/59/563934059.db2.gz CEJFHCQLYOLHLB-JOCHJYFZSA-N 0 0 345.446 4.034 50 0 EIAARN Cc1ccc(SCCN(C)C(=O)c2nc3c(s2)CCCC3)cc1 ZINC000055255377 563934102 /nfs/dbraw/zinc/93/41/02/563934102.db2.gz CBHKYTGLHOKGLJ-UHFFFAOYSA-N 0 0 346.521 4.195 50 0 EIAARN Cc1nsc(NC(=O)N(C)[C@@H](CCC(C)C)c2ccccc2)n1 ZINC000055357809 563934481 /nfs/dbraw/zinc/93/44/81/563934481.db2.gz ZSMMTFRYJUXBNH-HNNXBMFYSA-N 0 0 332.473 4.488 50 0 EIAARN Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1ccccn1 ZINC000055342682 563934485 /nfs/dbraw/zinc/93/44/85/563934485.db2.gz KNAYWDJATVHLCK-UHFFFAOYSA-N 0 0 340.810 4.276 50 0 EIAARN Cc1ccc2oc(-c3ccc(NC(=O)[C@@H]4CCCO4)c(C)c3)nc2c1 ZINC000055383182 563934571 /nfs/dbraw/zinc/93/45/71/563934571.db2.gz QPNHHBQEODYFBP-SFHVURJKSA-N 0 0 336.391 4.229 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=O)N(C)C3CCC(C)CC3)ccc12 ZINC000057958497 563936085 /nfs/dbraw/zinc/93/60/85/563936085.db2.gz BQBLPQGSGMHJHE-UHFFFAOYSA-N 0 0 328.412 4.144 50 0 EIAARN O=C(c1ccc(F)cc1)c1ccc(OCc2nnsc2Cl)cc1 ZINC000058076465 563937150 /nfs/dbraw/zinc/93/71/50/563937150.db2.gz NIOFQJOXTWCWMT-UHFFFAOYSA-N 0 0 348.786 4.141 50 0 EIAARN CCN(C[C@H]1CCOC1)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000058153140 563937858 /nfs/dbraw/zinc/93/78/58/563937858.db2.gz DCMDHHAIYYZFAG-AEFFLSMTSA-N 0 0 332.488 4.232 50 0 EIAARN CCN(CC)C(=S)SCc1nn(-c2ccccc2)c2c1CCC2 ZINC000058157296 563937956 /nfs/dbraw/zinc/93/79/56/563937956.db2.gz SSTBDLAMJVQUAA-UHFFFAOYSA-N 0 0 345.537 4.221 50 0 EIAARN COc1cc(-c2ccccc2)sc1C(=O)N(C)Cc1ccncc1 ZINC000058158607 563938147 /nfs/dbraw/zinc/93/81/47/563938147.db2.gz QAKIQTYNGGTDJP-UHFFFAOYSA-N 0 0 338.432 4.091 50 0 EIAARN COc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000058160881 563938365 /nfs/dbraw/zinc/93/83/65/563938365.db2.gz VTLYJTKIRNRKCQ-UHFFFAOYSA-N 0 0 346.430 4.013 50 0 EIAARN O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 ZINC000058161096 563938428 /nfs/dbraw/zinc/93/84/28/563938428.db2.gz KTMIAAHNVOOMBQ-CYBMUJFWSA-N 0 0 328.418 4.394 50 0 EIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1 ZINC000058195258 563939565 /nfs/dbraw/zinc/93/95/65/563939565.db2.gz MMHVDLGECVANQP-RYUDHWBXSA-N 0 0 332.787 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C[C@@H](Sc1nncn1Cc1ccco1)c1ncc(C(C)(C)C)o1 ZINC000096447684 563953484 /nfs/dbraw/zinc/95/34/84/563953484.db2.gz NBICMDXEYYVODJ-LLVKDONJSA-N 0 0 332.429 4.058 50 0 EIAARN Cc1cc(C)n(-c2ccc(C[S@@](=O)Cc3ccc(F)cc3)cc2)n1 ZINC000096448057 563953490 /nfs/dbraw/zinc/95/34/90/563953490.db2.gz IXWFUFIHTKBNGV-XMMPIXPASA-N 0 0 342.439 4.077 50 0 EIAARN Cn1cc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cn1 ZINC000063856668 563956291 /nfs/dbraw/zinc/95/62/91/563956291.db2.gz LNYQLUYQLCMNFM-UHFFFAOYSA-N 0 0 348.450 4.088 50 0 EIAARN CCc1cc([C@@H]2CCCN2Cc2cccc(Br)c2)on1 ZINC000064666954 563957046 /nfs/dbraw/zinc/95/70/46/563957046.db2.gz PQAROTRMMNJTNR-HNNXBMFYSA-N 0 0 335.245 4.337 50 0 EIAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000064983881 563957420 /nfs/dbraw/zinc/95/74/20/563957420.db2.gz JHBWCEAOFOYLFE-LJQANCHMSA-N 0 0 347.455 4.440 50 0 EIAARN CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2nnc(C)o2)o1 ZINC000065371413 563958510 /nfs/dbraw/zinc/95/85/10/563958510.db2.gz IEMCQHCUMFNYEL-UHFFFAOYSA-N 0 0 334.379 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CC(C)=C[C@H]1[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1(C)C ZINC000089914108 563963902 /nfs/dbraw/zinc/96/39/02/563963902.db2.gz LZVFXEKVYBHOGS-JSGCOSHPSA-N 0 0 326.362 4.387 50 0 EIAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000004679682 563963907 /nfs/dbraw/zinc/96/39/07/563963907.db2.gz KXQWRQYNTOSVIL-UHFFFAOYSA-N 0 0 348.373 4.384 50 0 EIAARN CC(C)CNC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c21 ZINC000060603700 563966099 /nfs/dbraw/zinc/96/60/99/563966099.db2.gz ZDZMDLMARLOCCB-UHFFFAOYSA-N 0 0 335.407 4.153 50 0 EIAARN CC(=Cc1ccccc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000004722493 563966273 /nfs/dbraw/zinc/96/62/73/563966273.db2.gz YNMWXBFFSZCQPW-FMIVXFBMSA-N 0 0 340.448 4.340 50 0 EIAARN Cc1nnc(CN[C@@H](C)c2sc(-c3ccccc3)nc2C)s1 ZINC000097057267 563967123 /nfs/dbraw/zinc/96/71/23/563967123.db2.gz RDXPDTHMXCTUOQ-JTQLQIEISA-N 0 0 330.482 4.129 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@H](c1cc(C)ccc1C)[NH2+]CC2 ZINC000000034556 563967823 /nfs/dbraw/zinc/96/78/23/563967823.db2.gz BQUZKRJMXYYSDY-NRFANRHFSA-N 0 0 325.452 4.336 50 0 EIAARN CCn1ccc2ccc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc21 ZINC000097113307 563967893 /nfs/dbraw/zinc/96/78/93/563967893.db2.gz AIGLUNJHBZUHGJ-QGZVFWFLSA-N 0 0 337.427 4.143 50 0 EIAARN COc1ccc2oc([C@@H](C)NCc3nnc(C(C)C)o3)c(C)c2c1 ZINC000097112144 563967988 /nfs/dbraw/zinc/96/79/88/563967988.db2.gz GEIOPLUSGPRZJY-GFCCVEGCSA-N 0 0 329.400 4.107 50 0 EIAARN C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 ZINC000097134866 563968125 /nfs/dbraw/zinc/96/81/25/563968125.db2.gz DZOBQJCOHWQTRE-VIFPVBQESA-N 0 0 338.190 4.213 50 0 EIAARN CCSc1cc(Cl)ccc1C(=O)N1CCC(n2ccnc2)CC1 ZINC000097141871 563968184 /nfs/dbraw/zinc/96/81/84/563968184.db2.gz NGPDPDLQYBHVLX-UHFFFAOYSA-N 0 0 349.887 4.126 50 0 EIAARN Clc1cncc(Cl)c1CN1CCCC[C@H]1CCn1ccnc1 ZINC000077555972 563970330 /nfs/dbraw/zinc/97/03/30/563970330.db2.gz HJAPRLGNWDPINW-ZDUSSCGKSA-N 0 0 339.270 4.030 50 0 EIAARN COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 ZINC000000044261 563970407 /nfs/dbraw/zinc/97/04/07/563970407.db2.gz QPYKRCIQRBMWRK-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN O=C1N[C@@H](c2cccs2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000000051789 563970659 /nfs/dbraw/zinc/97/06/59/563970659.db2.gz RWOVYKGCCMDWEU-LBPRGKRZSA-N 0 0 345.474 4.184 50 0 EIAARN C[S@@](=O)Cc1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000097233989 563970805 /nfs/dbraw/zinc/97/08/05/563970805.db2.gz UNECVAPURIXFAC-RDPSFJRHSA-N 0 0 336.460 4.162 50 0 EIAARN CCCc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000011266337 563971024 /nfs/dbraw/zinc/97/10/24/563971024.db2.gz XYVXLKTXWJDANW-IBGZPJMESA-N 0 0 326.415 4.210 50 0 EIAARN Cc1ccccc1C1=N/C(=C/c2ccccc2Br)C(=O)O1 ZINC000000055344 563971039 /nfs/dbraw/zinc/97/10/39/563971039.db2.gz MPMGNWRMMBQNNP-XNTDXEJSSA-N 0 0 342.192 4.102 50 0 EIAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@H]1CCCS1 ZINC000097021734 563971040 /nfs/dbraw/zinc/97/10/40/563971040.db2.gz HHNILSYVIMOIAD-QWHCGFSZSA-N 0 0 341.546 4.173 50 0 EIAARN Oc1ccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)cc1 ZINC000004733451 563971802 /nfs/dbraw/zinc/97/18/02/563971802.db2.gz BXWVRQMBULSLOU-UHFFFAOYSA-N 0 0 336.782 4.499 50 0 EIAARN CCCCCCC(=O)N1CCS[C@H]1c1cc(OC)ccc1OC ZINC000004733370 563971810 /nfs/dbraw/zinc/97/18/10/563971810.db2.gz VCOSSVLJMKOAPK-SFHVURJKSA-N 0 0 337.485 4.248 50 0 EIAARN CC[C@@H]1CCCCN1C(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000000067539 563971966 /nfs/dbraw/zinc/97/19/66/563971966.db2.gz MILOBUVTNWAYKD-LLVKDONJSA-N 0 0 345.295 4.273 50 0 EIAARN Fc1cc(CN2CCC(c3nccn3CC3CC3)CC2)cc(F)c1F ZINC000082086594 563972000 /nfs/dbraw/zinc/97/20/00/563972000.db2.gz ZKIAIPMMBJBIBN-UHFFFAOYSA-N 0 0 349.400 4.090 50 0 EIAARN c1cn(CC2CC2)c(C2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000082121667 563972502 /nfs/dbraw/zinc/97/25/02/563972502.db2.gz JCEHNVROAVFUAW-UHFFFAOYSA-N 0 0 338.480 4.287 50 0 EIAARN Cc1ccc(C2(C(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000082137146 563972596 /nfs/dbraw/zinc/97/25/96/563972596.db2.gz FNLTTZGLDCJXKT-IBGZPJMESA-N 0 0 348.490 4.012 50 0 EIAARN CCCc1noc([C@H](C)n2ccnc2-c2c(F)cccc2Cl)n1 ZINC000082134857 563972614 /nfs/dbraw/zinc/97/26/14/563972614.db2.gz LWLYVLCAJGQXGE-JTQLQIEISA-N 0 0 334.782 4.287 50 0 EIAARN Cc1nc([C@H](C)NC(=O)c2cc(C)nc3c(C)cccc23)c(C)s1 ZINC000082157429 563972801 /nfs/dbraw/zinc/97/28/01/563972801.db2.gz KEPNKDNXPBZHRT-LBPRGKRZSA-N 0 0 339.464 4.416 50 0 EIAARN Cc1ccc(/C=C2/SC(=O)N(CCOc3ccc(C)cc3)C2=O)o1 ZINC000033286783 563972945 /nfs/dbraw/zinc/97/29/45/563972945.db2.gz KIDBBOFKXJCOCK-LFIBNONCSA-N 0 0 343.404 4.012 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000000069567 563973468 /nfs/dbraw/zinc/97/34/68/563973468.db2.gz UQXJTBNZVHJCHP-WEVVVXLNSA-N 0 0 331.799 4.318 50 0 biogenic EIAARN c1cn(Cc2ccccn2)c(SCc2ccc3ccccc3n2)n1 ZINC000127052561 563973519 /nfs/dbraw/zinc/97/35/19/563973519.db2.gz IDWACYVXRGQSKB-UHFFFAOYSA-N 0 0 332.432 4.167 50 0 EIAARN CC(=O)c1cccc(NC(=O)C=Cc2ccc(Br)cc2)c1 ZINC000033316708 563973663 /nfs/dbraw/zinc/97/36/63/563973663.db2.gz BQWIAMHRNINRAZ-YFHOEESVSA-N 0 0 344.208 4.304 50 0 EIAARN O=C(c1ccc(Cl)cc1)c1ccc(CN2CCSCC2)cc1 ZINC000085651253 563973893 /nfs/dbraw/zinc/97/38/93/563973893.db2.gz ANQGVAIRLACHRT-UHFFFAOYSA-N 0 0 331.868 4.120 50 0 EIAARN Cc1cc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)c(C)o1 ZINC000585148264 563974129 /nfs/dbraw/zinc/97/41/29/563974129.db2.gz UYPZKULSRMNUEL-CYBMUJFWSA-N 0 0 347.461 4.150 50 0 EIAARN Cc1ccsc1CCC(=O)N[C@@H](c1cccs1)C1CCOCC1 ZINC000585149447 563974222 /nfs/dbraw/zinc/97/42/22/563974222.db2.gz SSDCMXQYRRYJMV-GOSISDBHSA-N 0 0 349.521 4.335 50 0 EIAARN Cc1ccc2c(c1)CCCN2C(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000023224553 563974452 /nfs/dbraw/zinc/97/44/52/563974452.db2.gz QZSJTTMQOVSXGE-UHFFFAOYSA-N 0 0 327.399 4.271 50 0 EIAARN O=C(Nc1ccc(Br)c(F)c1)c1cc(F)ccc1F ZINC000088085571 563974463 /nfs/dbraw/zinc/97/44/63/563974463.db2.gz HUWRJCYTPPACSE-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN CSc1ncc(C(=O)N2CCCc3ccccc32)n1-c1ccccc1 ZINC000023258490 563975421 /nfs/dbraw/zinc/97/54/21/563975421.db2.gz XQAYVNSSHWTZHQ-UHFFFAOYSA-N 0 0 349.459 4.187 50 0 EIAARN COc1c(F)cc(-c2cn(Cc3ccccc3C)nn2)cc1Cl ZINC000091690904 563975670 /nfs/dbraw/zinc/97/56/70/563975670.db2.gz NMCIIJAEOVPIKE-UHFFFAOYSA-N 0 0 331.778 4.103 50 0 EIAARN Cc1ncnc(N[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1C ZINC000091965629 563975943 /nfs/dbraw/zinc/97/59/43/563975943.db2.gz REPJUZQJCKABPF-HNNXBMFYSA-N 0 0 339.487 4.307 50 0 EIAARN CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000072288648 563976192 /nfs/dbraw/zinc/97/61/92/563976192.db2.gz DUQDHHJTGJMBOK-MLGOLLRUSA-N 0 0 331.847 4.440 50 0 EIAARN CCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000004815034 563976339 /nfs/dbraw/zinc/97/63/39/563976339.db2.gz JKKNLEXRYRIDQC-RBUKOAKNSA-N 0 0 346.434 4.064 50 0 EIAARN Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(F)cc2)S3)cc1 ZINC000000093525 563976613 /nfs/dbraw/zinc/97/66/13/563976613.db2.gz BLGKNKWLFDKEIB-OAHLLOKOSA-N 0 0 339.395 4.270 50 0 EIAARN Cc1nc([C@H](C)N(C)C(=O)c2cc3cccc(C)c3n2C)c(C)s1 ZINC000095352305 563976684 /nfs/dbraw/zinc/97/66/84/563976684.db2.gz AVAXYDUCBSZMIR-LBPRGKRZSA-N 0 0 341.480 4.393 50 0 EIAARN O=C(c1ccon1)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000095497330 563976991 /nfs/dbraw/zinc/97/69/91/563976991.db2.gz NTZHRROVIMOCND-FQEVSTJZSA-N 0 0 349.434 4.476 50 0 EIAARN O=C(c1ccon1)N1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1 ZINC000095497331 563977012 /nfs/dbraw/zinc/97/70/12/563977012.db2.gz NTZHRROVIMOCND-HXUWFJFHSA-N 0 0 349.434 4.476 50 0 EIAARN CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000095497169 563977020 /nfs/dbraw/zinc/97/70/20/563977020.db2.gz JDOZPXCHPONKRZ-ZDUSSCGKSA-N 0 0 349.837 4.276 50 0 EIAARN COc1cccc(-c2ccc(NC(=O)N3CCC[C@@H](OC)C3)cc2)c1 ZINC000095500107 563977053 /nfs/dbraw/zinc/97/70/53/563977053.db2.gz LETDJBXBTPIVNS-LJQANCHMSA-N 0 0 340.423 4.005 50 0 EIAARN COCC[C@H]1CCCCN1C(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000095501477 563977109 /nfs/dbraw/zinc/97/71/09/563977109.db2.gz HUVUSRZOUGBEGE-MRXNPFEDSA-N 0 0 348.487 4.416 50 0 EIAARN CCCOc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1Cl ZINC000095525052 563977451 /nfs/dbraw/zinc/97/74/51/563977451.db2.gz IOGFIAYAOGQHHJ-UHFFFAOYSA-N 0 0 345.830 4.155 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000011524030 563977601 /nfs/dbraw/zinc/97/76/01/563977601.db2.gz IVLOFNAEFTVFDK-UHFFFAOYSA-N 0 0 337.448 4.457 50 0 EIAARN FC(F)(F)c1ccccc1NC(=S)N1CCc2ccccc2C1 ZINC000095912886 563977762 /nfs/dbraw/zinc/97/77/62/563977762.db2.gz TVXFBKSCZCFISK-UHFFFAOYSA-N 0 0 336.382 4.461 50 0 EIAARN CSc1ccc(NC(=O)NCCCc2nc(C)c(C)s2)cc1 ZINC000096131426 563979363 /nfs/dbraw/zinc/97/93/63/563979363.db2.gz ZTBSVUKJKAPVIY-UHFFFAOYSA-N 0 0 335.498 4.236 50 0 EIAARN Cc1cc(OC(F)F)ccc1NC(=O)N(C)CCC[C@@H]1CCCO1 ZINC000096136143 563979408 /nfs/dbraw/zinc/97/94/08/563979408.db2.gz BDZCOIALHOLESD-CYBMUJFWSA-N 0 0 342.386 4.019 50 0 EIAARN COC[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000096137001 563979413 /nfs/dbraw/zinc/97/94/13/563979413.db2.gz ITJSAKXQLVLIRP-ZDUSSCGKSA-N 0 0 340.851 4.160 50 0 EIAARN CC(=O)c1cc(C(=O)N(Cc2ccncc2)C2CCCCC2)cs1 ZINC000096149197 563979599 /nfs/dbraw/zinc/97/95/99/563979599.db2.gz WPFSLMLRUODKQD-UHFFFAOYSA-N 0 0 342.464 4.321 50 0 EIAARN CCCSc1ccccc1NC(=O)N[C@@H](CC)c1ccnn1C ZINC000096180495 563980067 /nfs/dbraw/zinc/98/00/67/563980067.db2.gz KCMAWYSMGGOIMD-ZDUSSCGKSA-N 0 0 332.473 4.195 50 0 EIAARN C(=C/c1nn2c(nnc2-c2cc3ccccc3o2)s1)\c1ccco1 ZINC000096193969 563980090 /nfs/dbraw/zinc/98/00/90/563980090.db2.gz RTLZEVWABMIVBM-BQYQJAHWSA-N 0 0 334.360 4.362 50 0 EIAARN Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(-c2ncc[nH]2)c1 ZINC000097436868 563981533 /nfs/dbraw/zinc/98/15/33/563981533.db2.gz RKILPXBHRKJIKT-LJQANCHMSA-N 0 0 331.419 4.362 50 0 EIAARN CCN(C(=O)Nc1ccc(OC)c(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC000097574885 563981699 /nfs/dbraw/zinc/98/16/99/563981699.db2.gz UHAONQQLTYUBGO-ZDUSSCGKSA-N 0 0 340.851 4.160 50 0 EIAARN COc1cc(C(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc2n1 ZINC000097604067 563981712 /nfs/dbraw/zinc/98/17/12/563981712.db2.gz BRZMUMOHQHEGQT-IBGZPJMESA-N 0 0 347.418 4.006 50 0 EIAARN Cc1nnc([C@H]2CCCN2Cc2ccc(-c3ccccc3Cl)o2)[nH]1 ZINC000097713705 563981798 /nfs/dbraw/zinc/98/17/98/563981798.db2.gz JBGXJKCDQMJWIR-MRXNPFEDSA-N 0 0 342.830 4.364 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N3CCC(c4nccn4C)CC3)cc2)o1 ZINC000097805784 563981935 /nfs/dbraw/zinc/98/19/35/563981935.db2.gz AXHFTLBCJYTMQC-UHFFFAOYSA-N 0 0 349.434 4.008 50 0 EIAARN CCCc1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)sc1C ZINC000011657220 563982055 /nfs/dbraw/zinc/98/20/55/563982055.db2.gz WUMGSRJXLIFHDX-UHFFFAOYSA-N 0 0 346.452 4.228 50 0 EIAARN Cc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(F)cc1)=N2 ZINC000100716855 563982726 /nfs/dbraw/zinc/98/27/26/563982726.db2.gz APDZLMQBVSPXOO-KRWDZBQOSA-N 0 0 340.789 4.435 50 0 EIAARN Clc1ccc(C2=Nc3nnnn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000100819095 563982766 /nfs/dbraw/zinc/98/27/66/563982766.db2.gz WYJBKNZRBZFJQW-HNNXBMFYSA-N 0 0 344.205 4.036 50 0 EIAARN CCCCc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 ZINC000014068823 563983137 /nfs/dbraw/zinc/98/31/37/563983137.db2.gz UCZRNCWTTUXTPN-UHFFFAOYSA-N 0 0 329.347 4.152 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1ccccc1Cl ZINC000060916722 563986077 /nfs/dbraw/zinc/98/60/77/563986077.db2.gz VNXQLZAPJYGLMS-UHFFFAOYSA-N 0 0 347.823 4.277 50 0 EIAARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)CC(C)C)cc1 ZINC000014610608 563986160 /nfs/dbraw/zinc/98/61/60/563986160.db2.gz ZXQHJALFPKUSGC-UHFFFAOYSA-N 0 0 338.411 4.145 50 0 EIAARN CCOC(=O)c1cccc(Nc2cc(C)nc3c(OC)cccc23)c1 ZINC000000107263 563986494 /nfs/dbraw/zinc/98/64/94/563986494.db2.gz SJMJYFRLHWTQBR-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN CCN(CC)C(=S)Sc1ncnc2sc3c(c21)CCCC3 ZINC000000127948 563986913 /nfs/dbraw/zinc/98/69/13/563986913.db2.gz IQVRZFBUBDYIOX-UHFFFAOYSA-N 0 0 337.539 4.289 50 0 EIAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1CC)CCC2 ZINC000000130384 563986953 /nfs/dbraw/zinc/98/69/53/563986953.db2.gz UFJCYANAZCZRPF-UHFFFAOYSA-N 0 0 342.464 4.400 50 0 EIAARN COc1ccc(/C=C/C(=O)Oc2ccc(C(C)C)cc2)c(OC)c1 ZINC000000147509 563987284 /nfs/dbraw/zinc/98/72/84/563987284.db2.gz IJEFZWYCCMROKK-XYOKQWHBSA-N 0 0 326.392 4.446 50 0 biogenic,in-vitro EIAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccc(F)cc1 ZINC000000176595 563987663 /nfs/dbraw/zinc/98/76/63/563987663.db2.gz SZPFHAHQAGVHNF-RZNTYIFUSA-N 0 0 337.684 4.102 50 0 EIAARN CCCc1cc2c(cc1OC(C)=O)occ(-c1nc(C)cs1)c2=O ZINC000000178273 563987695 /nfs/dbraw/zinc/98/76/95/563987695.db2.gz FVMKJEVPLWCLMC-UHFFFAOYSA-N 0 0 343.404 4.103 50 0 biogenic EIAARN O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1ccc(O)cc1 ZINC000000180013 563987768 /nfs/dbraw/zinc/98/77/68/563987768.db2.gz MDIIRYZZVTYWPJ-OAHLLOKOSA-N 0 0 340.231 4.478 50 0 EIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1 ZINC000000190363 563988117 /nfs/dbraw/zinc/98/81/17/563988117.db2.gz SOBDWVFMGUCUET-UHFFFAOYSA-N 0 0 341.461 4.241 50 0 aggregator EIAARN CC(C)OC(=O)c1cccc(C(=O)Oc2ccc3ccccc3c2)n1 ZINC000000190657 563988149 /nfs/dbraw/zinc/98/81/49/563988149.db2.gz PASWZXDZCLTSCC-UHFFFAOYSA-N 0 0 335.359 4.019 50 0 EIAARN NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1Cl ZINC000000195533 563988244 /nfs/dbraw/zinc/98/82/44/563988244.db2.gz NYJPELKAFNNLJT-SILNSSARSA-N 0 0 333.174 4.071 50 0 EIAARN Cc1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1 ZINC000000200235 563988314 /nfs/dbraw/zinc/98/83/14/563988314.db2.gz WNSIDZCPIUTLLV-UHFFFAOYSA-N 0 0 344.411 4.346 50 0 EIAARN Cc1ccc(CSc2nc3c4ccccc4[nH]c3c(=O)n2C)cc1 ZINC000000214000 563988605 /nfs/dbraw/zinc/98/86/05/563988605.db2.gz SUBDJDOHDBNZCZ-UHFFFAOYSA-N 0 0 335.432 4.016 50 0 EIAARN COc1ccc(CNC(=O)c2ccc3c(c2)ncn3C2CCCC2)cc1 ZINC000000218906 563988767 /nfs/dbraw/zinc/98/87/67/563988767.db2.gz HHKFIQUHINOCRU-UHFFFAOYSA-N 0 0 349.434 4.090 50 0 EIAARN Cc1cccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c1 ZINC000000226902 563988982 /nfs/dbraw/zinc/98/89/82/563988982.db2.gz LJELSRDGWOYYLE-NRFANRHFSA-N 0 0 344.414 4.046 50 0 EIAARN Cc1cc2ncn(C[C@H](O)COc3cccc4ccccc43)c2cc1C ZINC000000243049 563989212 /nfs/dbraw/zinc/98/92/12/563989212.db2.gz WISMTFRRXIIKAV-SFHVURJKSA-N 0 0 346.430 4.246 50 0 EIAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccccc1 ZINC000000267141 563989972 /nfs/dbraw/zinc/98/99/72/563989972.db2.gz FTBDVVROUWSPFD-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN CCC(=O)O[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 ZINC000000267984 563989999 /nfs/dbraw/zinc/98/99/99/563989999.db2.gz NHMCUUWCWNYGQI-DNVCBOLYSA-N 0 0 337.419 4.428 50 0 EIAARN CN(Cc1ccccc1)c1ccccc1NC(=O)/C=C/c1cscn1 ZINC000050346790 563990200 /nfs/dbraw/zinc/99/02/00/563990200.db2.gz BEWMHLPWSRIQLA-VAWYXSNFSA-N 0 0 349.459 4.431 50 0 EIAARN O=C(Nc1ccc(Br)c2cccnc12)NC1CCCCC1 ZINC000028232938 563990959 /nfs/dbraw/zinc/99/09/59/563990959.db2.gz PJKURABFUHFFNU-UHFFFAOYSA-N 0 0 348.244 4.452 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000000319579 563991130 /nfs/dbraw/zinc/99/11/30/563991130.db2.gz JFXDGHBDHUQAIP-GFCCVEGCSA-N 0 0 345.826 4.117 50 0 EIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccc3C)n2)cc1 ZINC000000325175 563991235 /nfs/dbraw/zinc/99/12/35/563991235.db2.gz PHAJYSNEUOODOL-SFHVURJKSA-N 0 0 347.418 4.331 50 0 EIAARN Cc1cc(CN(C)C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)no1 ZINC000050573698 563991398 /nfs/dbraw/zinc/99/13/98/563991398.db2.gz WXZCEHLGFPXLMK-UHFFFAOYSA-N 0 0 341.238 4.226 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CCCC2 ZINC000000342819 563991406 /nfs/dbraw/zinc/99/14/06/563991406.db2.gz QGMCMLUDWFKOLC-UHFFFAOYSA-N 0 0 335.469 4.322 50 0 EIAARN CCn1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000000374963 563991824 /nfs/dbraw/zinc/99/18/24/563991824.db2.gz OKMIEDFKOZIFKX-LBPRGKRZSA-N 0 0 333.863 4.345 50 0 EIAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000004854176 563992102 /nfs/dbraw/zinc/99/21/02/563992102.db2.gz MZWSPCBBVRCGSV-FQEVSTJZSA-N 0 0 331.419 4.434 50 0 EIAARN Cc1ccc2cc3cc(C(=O)NCCCOC(C)C)sc3nc2c1 ZINC000004886106 563992217 /nfs/dbraw/zinc/99/22/17/563992217.db2.gz CYHHHDGWFCCRJT-UHFFFAOYSA-N 0 0 342.464 4.303 50 0 EIAARN COc1ccccc1N1C(=O)/C(=C/c2cccc(C)c2)N=C1SC ZINC000004882980 563992249 /nfs/dbraw/zinc/99/22/49/563992249.db2.gz CKGSGSKGNPOQBH-QINSGFPZSA-N 0 0 338.432 4.110 50 0 EIAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCc1ccccc1 ZINC000061002706 563992275 /nfs/dbraw/zinc/99/22/75/563992275.db2.gz YZXRLYWCOJMERH-UHFFFAOYSA-N 0 0 343.833 4.322 50 0 EIAARN CC(C)OCCCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000004908805 563992378 /nfs/dbraw/zinc/99/23/78/563992378.db2.gz MYSNIMIKTXOYPU-UHFFFAOYSA-N 0 0 346.814 4.179 50 0 EIAARN CCN(CCNC(=O)c1csc2c1CCCCC2)c1ccccc1 ZINC000004911417 563992413 /nfs/dbraw/zinc/99/24/13/563992413.db2.gz RIHUZTWCPCILHF-UHFFFAOYSA-N 0 0 342.508 4.273 50 0 EIAARN Cc1ccc(C)c(N[C@H]2c3ccccc3C(=O)N2c2cccnc2)c1 ZINC000004917487 563992435 /nfs/dbraw/zinc/99/24/35/563992435.db2.gz XDNUJLWWGBYOGA-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN O=C1c2ccccc2[C@H](Nc2ccc(F)cc2F)N1c1ccccn1 ZINC000004915991 563992440 /nfs/dbraw/zinc/99/24/40/563992440.db2.gz VNLYLDOUQNAXSP-GOSISDBHSA-N 0 0 337.329 4.131 50 0 EIAARN CCOc1ccccc1N[C@@H]1c2ccccc2C(=O)N1c1ccccn1 ZINC000004916040 563992446 /nfs/dbraw/zinc/99/24/46/563992446.db2.gz BQBQLMXTKQVUIE-FQEVSTJZSA-N 0 0 345.402 4.251 50 0 EIAARN C[C@@H]1C[C@@H](C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)CCO1 ZINC000408513817 563992788 /nfs/dbraw/zinc/99/27/88/563992788.db2.gz HBPJBMWDCWXQGG-MDZLAQPJSA-N 0 0 342.266 4.254 50 0 EIAARN CCC(=O)c1ccc(Cl)c(NC(=O)c2cc(C(C)=O)cs2)c1 ZINC000408515308 563992963 /nfs/dbraw/zinc/99/29/63/563992963.db2.gz XHDQCRWQZWRDMR-UHFFFAOYSA-N 0 0 335.812 4.449 50 0 EIAARN Cc1sc(C(=O)[O-])cc1C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000408521821 563993219 /nfs/dbraw/zinc/99/32/19/563993219.db2.gz KIUVEULBXKTGFZ-NHYWBVRUSA-N 0 0 333.428 4.272 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(F)c2)n1 ZINC000257365266 563993284 /nfs/dbraw/zinc/99/32/84/563993284.db2.gz XRKSPDTYAZJJOC-ULQDDVLXSA-N 0 0 344.455 4.448 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(C)c1 ZINC000004950750 563993301 /nfs/dbraw/zinc/99/33/01/563993301.db2.gz YTOIGQDIJSVMTD-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN CCOc1ccccc1Cn1cccc1C1=N[C@@H](c2ccccc2)CO1 ZINC000004971086 563993524 /nfs/dbraw/zinc/99/35/24/563993524.db2.gz UYNWLHCMCNEGKM-LJQANCHMSA-N 0 0 346.430 4.453 50 0 EIAARN CCOc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 ZINC000005021055 563993822 /nfs/dbraw/zinc/99/38/22/563993822.db2.gz AUUWRUNQSPBTGM-UHFFFAOYSA-N 0 0 340.404 4.110 50 0 EIAARN CCC[C@@H]1CCCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000061306807 563993833 /nfs/dbraw/zinc/99/38/33/563993833.db2.gz BALWLJHUOWKFRV-GFCCVEGCSA-N 0 0 340.261 4.197 50 0 EIAARN Clc1ccc(Cc2nnc3sc(/C=C/c4ccco4)nn23)cc1 ZINC000005032322 563993888 /nfs/dbraw/zinc/99/38/88/563993888.db2.gz CQBZGZWYRREERZ-BQYQJAHWSA-N 0 0 342.811 4.193 50 0 EIAARN Cc1cc(C)cc(C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2C)c1 ZINC000100577832 563993902 /nfs/dbraw/zinc/99/39/02/563993902.db2.gz FJHHMJBLNFJIIM-RDTXWAMCSA-N 0 0 341.838 4.325 50 0 EIAARN C[C@@H](C(=O)NC1CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036757 563993956 /nfs/dbraw/zinc/99/39/56/563993956.db2.gz LRMKWAWTHGJMMI-LBPRGKRZSA-N 0 0 339.826 4.196 50 0 EIAARN CC(C)(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000005077403 563994199 /nfs/dbraw/zinc/99/41/99/563994199.db2.gz HUHMATIQDHIBPN-UHFFFAOYSA-N 0 0 333.432 4.133 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCC2CCCCC2)cc1 ZINC000011713192 563994775 /nfs/dbraw/zinc/99/47/75/563994775.db2.gz VPPHSIGCRPVGQB-HNNXBMFYSA-N 0 0 345.439 4.120 50 0 EIAARN O=C(Nc1ccc(SCc2ccccc2F)nn1)c1cccs1 ZINC000011739345 563994859 /nfs/dbraw/zinc/99/48/59/563994859.db2.gz MHDAYEKWUANACW-UHFFFAOYSA-N 0 0 345.424 4.222 50 0 EIAARN O=C(COC1CCCC1)Nc1cccc(C2SCCCS2)c1 ZINC000044346764 563995121 /nfs/dbraw/zinc/99/51/21/563995121.db2.gz BBVUOAMEFJOKGD-UHFFFAOYSA-N 0 0 337.510 4.453 50 0 EIAARN CC[C@@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccc(C)cc1 ZINC000248160823 563995350 /nfs/dbraw/zinc/99/53/50/563995350.db2.gz ONNPPRPYVMAWSU-CRAIPNDOSA-N 0 0 342.508 4.243 50 0 EIAARN CCc1ccc(N2C[C@H](c3noc(-c4cccc(C)c4)n3)CC2=O)cc1 ZINC000044415787 563995365 /nfs/dbraw/zinc/99/53/65/563995365.db2.gz QQPKYRCONBGOHS-QGZVFWFLSA-N 0 0 347.418 4.128 50 0 EIAARN CCCCOc1ccc(-c2nonc2NC(=O)c2cccs2)cc1 ZINC000011914173 563995449 /nfs/dbraw/zinc/99/54/49/563995449.db2.gz TWBZGDLYOAMJQZ-UHFFFAOYSA-N 0 0 343.408 4.229 50 0 EIAARN CCOc1ccc(N[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1OCC ZINC000248243479 563995596 /nfs/dbraw/zinc/99/55/96/563995596.db2.gz IEPCTAASJNVZPT-BZUAXINKSA-N 0 0 348.487 4.074 50 0 EIAARN Cc1ccc([C@H](NC(=O)CSC(C)C)c2cccnc2)c(C)c1 ZINC000426484410 563995759 /nfs/dbraw/zinc/99/57/59/563995759.db2.gz GWVZHDQVVDWDIT-LJQANCHMSA-N 0 0 328.481 4.046 50 0 EIAARN CCC[C@H]1CCCN1C(=O)c1ccc(-c2ccc(CCO)cc2)cc1 ZINC000426490708 563995822 /nfs/dbraw/zinc/99/58/22/563995822.db2.gz ZXEAMJXFDVHRGY-NRFANRHFSA-N 0 0 337.463 4.293 50 0 EIAARN Cc1ccc(-c2nnc(-n3nnc4ccccc43)c3ccccc32)cc1 ZINC000000137140 563996138 /nfs/dbraw/zinc/99/61/38/563996138.db2.gz ZGELFQFBUHCRHA-UHFFFAOYSA-N 0 0 337.386 4.339 50 0 aggregator EIAARN O=C(C1CCC(F)(F)CC1)N1CC[C@H](CSc2ccccc2)C1 ZINC000136512318 563997614 /nfs/dbraw/zinc/99/76/14/563997614.db2.gz NWGVQJWWSFMXMA-AWEZNQCLSA-N 0 0 339.451 4.453 50 0 EIAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000000424050 563998436 /nfs/dbraw/zinc/99/84/36/563998436.db2.gz ACXMWZUMMOVIFE-QGZVFWFLSA-N 0 0 349.839 4.136 50 0 EIAARN Fc1cccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c1 ZINC000000424476 563998469 /nfs/dbraw/zinc/99/84/69/563998469.db2.gz UHKSJHFFGVYHBN-UHFFFAOYSA-N 0 0 344.802 4.096 50 0 EIAARN Cc1ccc2cc3c(N)c(C(=O)Nc4nccs4)sc3nc2c1 ZINC000000422312 563998528 /nfs/dbraw/zinc/99/85/28/563998528.db2.gz TZFNLDDMDSGXCQ-UHFFFAOYSA-N 0 0 340.433 4.049 50 0 EIAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2)c1C ZINC000000427366 563998689 /nfs/dbraw/zinc/99/86/89/563998689.db2.gz FRVBDXSTXUPJBL-UHFFFAOYSA-N 0 0 337.448 4.220 50 0 EIAARN Cc1cc2ccccc2n1CCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000427918 563998820 /nfs/dbraw/zinc/99/88/20/563998820.db2.gz XHSXZKWLWQTPBA-UHFFFAOYSA-N 0 0 346.352 4.399 50 0 EIAARN S=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1cccs1 ZINC000000425940 563998986 /nfs/dbraw/zinc/99/89/86/563998986.db2.gz IPEIVQZUCKUMMW-KRWDZBQOSA-N 0 0 345.537 4.162 50 0 EIAARN Cc1cc(C)c(Nc2ncnc3c2cnn3-c2ccccc2)c(C)c1 ZINC000000426400 563999037 /nfs/dbraw/zinc/99/90/37/563999037.db2.gz LWCDNQBMPIELIM-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN CCN(C(=O)c1cc2ccccc2c(=O)o1)c1ccccc1Cl ZINC000253395716 563999163 /nfs/dbraw/zinc/99/91/63/563999163.db2.gz QBTRSESFXSQVBY-UHFFFAOYSA-N 0 0 327.767 4.113 50 0 EIAARN CCSCc1ccccc1C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000253429640 563999249 /nfs/dbraw/zinc/99/92/49/563999249.db2.gz UIWASXLFUPQDAC-KRWDZBQOSA-N 0 0 343.448 4.008 50 0 EIAARN COc1cccc(/C=C2/N=C(c3cccc(Cl)c3Cl)OC2=O)c1 ZINC000000431039 563999396 /nfs/dbraw/zinc/99/93/96/563999396.db2.gz XSYOAACGBHTWTI-NTEUORMPSA-N 0 0 348.185 4.347 50 0 EIAARN O=C1OC(C2CCCCC2)=N/C1=C\c1cccc(Br)c1 ZINC000000430505 563999419 /nfs/dbraw/zinc/99/94/19/563999419.db2.gz BVEBRSWVCAHYGO-UVTDQMKNSA-N 0 0 334.213 4.326 50 0 EIAARN S=C1N[C@@H](c2ccccc2)[C@H]2CCC/C(=C/c3ccccc3)[C@H]2N1 ZINC000254708421 563999471 /nfs/dbraw/zinc/99/94/71/563999471.db2.gz GKAOLMKVJJNZGU-CLMCRTRKSA-N 0 0 334.488 4.458 50 0 EIAARN CNc1nc2c(s1)[C@@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000061717649 564000368 /nfs/dbraw/zinc/00/03/68/564000368.db2.gz OVLRFYSYVNCECS-SECBINFHSA-N 0 0 338.230 4.071 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)c1 ZINC000061719541 564000434 /nfs/dbraw/zinc/00/04/34/564000434.db2.gz AKFPMZXQGFTZKE-UHFFFAOYSA-N 0 0 347.418 4.451 50 0 EIAARN COc1ccc(-c2nn3c(CC(C)C)nnc3c3ccccc32)cc1 ZINC000005202888 564000566 /nfs/dbraw/zinc/00/05/66/564000566.db2.gz YJVKBXDMMLGPLK-UHFFFAOYSA-N 0 0 332.407 4.152 50 0 EIAARN C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@@H](O)c1ccc(F)cc1 ZINC000078673095 564000915 /nfs/dbraw/zinc/00/09/15/564000915.db2.gz RNYSWRHGNRINSN-AMIZOPFISA-N 0 0 348.727 4.427 50 0 EIAARN Cc1cc(C(=O)NCc2cccc(CO)c2)c(C)n1C1CCCCC1 ZINC000078757639 564000927 /nfs/dbraw/zinc/00/09/27/564000927.db2.gz WFUWYONEHTWEKR-UHFFFAOYSA-N 0 0 340.467 4.032 50 0 EIAARN Cc1ccc2c(CNc3ccn(-c4ccccc4)n3)cc(=O)oc2c1C ZINC000079875057 564001032 /nfs/dbraw/zinc/00/10/32/564001032.db2.gz CQZIKCLCLDYBHD-UHFFFAOYSA-N 0 0 345.402 4.208 50 0 EIAARN COc1ccc2c(c1)Cc1sc(NC(=O)c3cccs3)nc1-2 ZINC000000463985 564001059 /nfs/dbraw/zinc/00/10/59/564001059.db2.gz ICJHKBYQTSPGFA-UHFFFAOYSA-N 0 0 328.418 4.037 50 0 EIAARN Cc1ccc(/C=C2\SC(=O)N(CNc3cccc(C)c3)C2=O)cc1 ZINC000033931953 564001179 /nfs/dbraw/zinc/00/11/79/564001179.db2.gz IQCFSORDXVQYMH-BOPFTXTBSA-N 0 0 338.432 4.409 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2ccccc2SC)cc1C ZINC000005222447 564001245 /nfs/dbraw/zinc/00/12/45/564001245.db2.gz GXVGAUZBPJCXMN-UHFFFAOYSA-N 0 0 335.450 4.207 50 0 EIAARN C=C=Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000005234775 564001366 /nfs/dbraw/zinc/00/13/66/564001366.db2.gz PWNZKZTUJHCRPY-QGZVFWFLSA-N 0 0 343.430 4.429 50 0 EIAARN O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000005244968 564001552 /nfs/dbraw/zinc/00/15/52/564001552.db2.gz AKBDWRYOQZOWOM-UHFFFAOYSA-N 0 0 326.415 4.387 50 0 EIAARN O=C1OCC[C@@H]1Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000005255716 564001589 /nfs/dbraw/zinc/00/15/89/564001589.db2.gz CLZLXFFLRNGPFS-NSHDSACASA-N 0 0 348.474 4.274 50 0 EIAARN COc1ccc(N2C(=O)[C@H](Oc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000033982471 564001692 /nfs/dbraw/zinc/00/16/92/564001692.db2.gz VTBTYCBTXHLXDZ-LEWJYISDSA-N 0 0 345.398 4.231 50 0 EIAARN O[C@@]1(C(F)F)[C@H]2CCCCCC2=NN1c1nc2ccccc2s1 ZINC000005275065 564002330 /nfs/dbraw/zinc/00/23/30/564002330.db2.gz NRVPYWNFAOVQDB-MGPLVRAMSA-N 0 0 337.395 4.006 50 0 EIAARN COc1ccc(-c2csc(-n3nc4c(c3C)CCCC4)n2)cc1 ZINC000005274966 564002332 /nfs/dbraw/zinc/00/23/32/564002332.db2.gz ZZYYIOLNNFZYPN-UHFFFAOYSA-N 0 0 325.437 4.192 50 0 EIAARN C[S@@](=O)c1ccccc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000005284349 564002394 /nfs/dbraw/zinc/00/23/94/564002394.db2.gz DZEFGWYINSYASX-DEOSSOPVSA-N 0 0 340.448 4.439 50 0 EIAARN CCc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000061914809 564002403 /nfs/dbraw/zinc/00/24/03/564002403.db2.gz BSPUWOIIIUVLMP-LJQANCHMSA-N 0 0 338.451 4.091 50 0 EIAARN O=C(Cn1cnc2ccccc2c1=O)c1ccc(C2CCCCC2)cc1 ZINC000005316262 564002586 /nfs/dbraw/zinc/00/25/86/564002586.db2.gz BKQJJDDDOPHSHJ-UHFFFAOYSA-N 0 0 346.430 4.327 50 0 EIAARN CSc1ccccc1C(=O)N(Cc1ccco1)Cc1ccccn1 ZINC000062018016 564002753 /nfs/dbraw/zinc/00/27/53/564002753.db2.gz ROVWZMIACZSHDP-UHFFFAOYSA-N 0 0 338.432 4.239 50 0 EIAARN COc1cccc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000005321756 564002841 /nfs/dbraw/zinc/00/28/41/564002841.db2.gz LPODPBZTNCFIGW-UHFFFAOYSA-N 0 0 340.810 4.028 50 0 EIAARN C[C@@H](OC(=O)c1c[nH]c2ccccc21)c1nnc(-c2ccccc2)o1 ZINC000005349830 564003006 /nfs/dbraw/zinc/00/30/06/564003006.db2.gz WRJYSILRXLVTPP-GFCCVEGCSA-N 0 0 333.347 4.136 50 0 EIAARN CC(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000005373995 564003221 /nfs/dbraw/zinc/00/32/21/564003221.db2.gz BPFLPNZAGDNBRG-UHFFFAOYSA-N 0 0 342.464 4.326 50 0 EIAARN O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccccc1Cl ZINC000005400475 564003589 /nfs/dbraw/zinc/00/35/89/564003589.db2.gz OYPCMQNAFXHVIJ-UHFFFAOYSA-N 0 0 333.844 4.119 50 0 EIAARN O=C(Cc1csc(-c2ccccc2Cl)n1)NC1CCCCC1 ZINC000005403670 564003661 /nfs/dbraw/zinc/00/36/61/564003661.db2.gz IDUVZRCUZPNQBF-UHFFFAOYSA-N 0 0 334.872 4.455 50 0 EIAARN C[C@H]1C[C@H]1C(=O)OCC(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000005405609 564003701 /nfs/dbraw/zinc/00/37/01/564003701.db2.gz WXZSTUOCEWEPDV-WMLDXEAASA-N 0 0 347.414 4.227 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)Nc2cccc(F)c2)s1 ZINC000002640535 564003949 /nfs/dbraw/zinc/00/39/49/564003949.db2.gz IEUWSGFPKFRHRW-UHFFFAOYSA-N 0 0 347.440 4.124 50 0 EIAARN COc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1OC ZINC000003247830 564004189 /nfs/dbraw/zinc/00/41/89/564004189.db2.gz MTQAEMUKWGKDOE-UHFFFAOYSA-N 0 0 346.383 4.185 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)C(c1ccccc1)c1ccccc1 ZINC000003292663 564004282 /nfs/dbraw/zinc/00/42/82/564004282.db2.gz WRONHWNAWJPRGD-UHFFFAOYSA-N 0 0 335.432 4.186 50 0 EIAARN Cc1ccc([C@@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 ZINC000005002210 564005677 /nfs/dbraw/zinc/00/56/77/564005677.db2.gz IICCFJLNHLAZDY-INIZCTEOSA-N 0 0 326.446 4.383 50 0 EIAARN Cc1nn2c(nc(C)cc2N2C[C@H](C)C[C@@H](C)C2)c1-c1ccccc1 ZINC000005576348 564005792 /nfs/dbraw/zinc/00/57/92/564005792.db2.gz DZDMZEUZRUVVJW-HUUCEWRRSA-N 0 0 334.467 4.495 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2ncnc3sccc32)c1 ZINC000005299440 564005888 /nfs/dbraw/zinc/00/58/88/564005888.db2.gz VQOQYPOVQVTGOG-UHFFFAOYSA-N 0 0 327.409 4.123 50 0 EIAARN O=C(c1ccc2[nH]cnc2c1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206670105 564006076 /nfs/dbraw/zinc/00/60/76/564006076.db2.gz OLOHSSNGZMWWOT-INIZCTEOSA-N 0 0 337.398 4.112 50 0 EIAARN O=C(c1ccc2[nH]cnc2c1)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206670060 564006088 /nfs/dbraw/zinc/00/60/88/564006088.db2.gz OLOHSSNGZMWWOT-MRXNPFEDSA-N 0 0 337.398 4.112 50 0 EIAARN COc1ccc(-c2nc3ccccc3c(C(=O)NC(C)C)c2C)cc1 ZINC000000474543 564006149 /nfs/dbraw/zinc/00/61/49/564006149.db2.gz XKRNGBRKSLBXDQ-UHFFFAOYSA-N 0 0 334.419 4.357 50 0 EIAARN CCCOc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 ZINC000005607356 564006321 /nfs/dbraw/zinc/00/63/21/564006321.db2.gz QSDBWMZQTKLGEW-UHFFFAOYSA-N 0 0 339.420 4.246 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cn2cc(Cl)ccc2n1 ZINC000005613939 564006441 /nfs/dbraw/zinc/00/64/41/564006441.db2.gz CFOBGAPCVMJKCY-UHFFFAOYSA-N 0 0 339.704 4.259 50 0 EIAARN CCc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000005616256 564006481 /nfs/dbraw/zinc/00/64/81/564006481.db2.gz AGAPRTHFTOFNDX-GOSISDBHSA-N 0 0 325.408 4.059 50 0 EIAARN N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000005630971 564006804 /nfs/dbraw/zinc/00/68/04/564006804.db2.gz WTVLGGHLKBJBRE-SDQBBNPISA-N 0 0 339.203 4.392 50 0 EIAARN Cc1ccc(C=CC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 ZINC000007779954 564006882 /nfs/dbraw/zinc/00/68/82/564006882.db2.gz YJEUAHQLAKZSQS-QSOAKEGCSA-N 0 0 334.415 4.312 50 0 EIAARN Cc1oc(C)c(C(=O)N[C@H](C)c2ccccc2Br)c1C ZINC000024352487 564006973 /nfs/dbraw/zinc/00/69/73/564006973.db2.gz GCSOGXLIWVYVMT-SNVBAGLBSA-N 0 0 336.229 4.458 50 0 EIAARN Cc1cc(C)c(C[S@](=O)Cc2cn3c(cccc3C)n2)c(C)c1 ZINC000155218785 564007944 /nfs/dbraw/zinc/00/79/44/564007944.db2.gz CLXYYSRHUZKKNQ-QHCPKHFHSA-N 0 0 326.465 4.017 50 0 EIAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)C1CCCC1 ZINC000017178160 564011332 /nfs/dbraw/zinc/01/13/32/564011332.db2.gz FBLPSOVBIIABPC-UHFFFAOYSA-N 0 0 348.446 4.408 50 0 EIAARN CCCN(CCC)c1ncnc2c1cnn2-c1cc(Cl)ccc1C ZINC000017271701 564011538 /nfs/dbraw/zinc/01/15/38/564011538.db2.gz WBMSKNMZHRUNKQ-UHFFFAOYSA-N 0 0 343.862 4.404 50 0 EIAARN Cc1nc2sc(C(=O)N3[C@H](C)CCC[C@@H]3C)c(N)c2c(C)c1C ZINC000017888025 564013217 /nfs/dbraw/zinc/01/32/17/564013217.db2.gz BMZKYRZDWXTOPE-AOOOYVTPSA-N 0 0 331.485 4.207 50 0 EIAARN C[C@H](C(=O)Nc1cccc(Oc2cccnn2)c1)c1ccccc1F ZINC000175913737 564013276 /nfs/dbraw/zinc/01/32/76/564013276.db2.gz KQBFLIAHANHWSY-ZDUSSCGKSA-N 0 0 337.354 4.150 50 0 EIAARN Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c2ccccc2n1 ZINC000007989304 564013654 /nfs/dbraw/zinc/01/36/54/564013654.db2.gz QWMMCNPBTUSIDT-GFCCVEGCSA-N 0 0 326.346 4.312 50 0 EIAARN CCOCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000003765100 564013694 /nfs/dbraw/zinc/01/36/94/564013694.db2.gz MRCSANLSFHHSFM-UHFFFAOYSA-N 0 0 330.453 4.192 50 0 EIAARN COC(=O)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000005064849 564013938 /nfs/dbraw/zinc/01/39/38/564013938.db2.gz JUKBKNATMZLVBA-UHFFFAOYSA-N 0 0 327.424 4.018 50 0 EIAARN O=C(NC[C@H]1COc2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000573040466 564014411 /nfs/dbraw/zinc/01/44/11/564014411.db2.gz HBSSVNFQJSSZDV-NSHDSACASA-N 0 0 336.313 4.003 50 0 EIAARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(Cl)c(C)c1 ZINC000206759948 564014826 /nfs/dbraw/zinc/01/48/26/564014826.db2.gz BKRMVWUMIVNEDD-XYPWUTKMSA-N 0 0 337.916 4.466 50 0 EIAARN COc1ccccc1NC(=O)NCc1cncc(-c2ccsc2)c1 ZINC000206949202 564015442 /nfs/dbraw/zinc/01/54/42/564015442.db2.gz QKCQLSPHOSSFAZ-UHFFFAOYSA-N 0 0 339.420 4.140 50 0 EIAARN CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Br)c1 ZINC000000481200 564016469 /nfs/dbraw/zinc/01/64/69/564016469.db2.gz NDGNABRMRDKPLO-QGZVFWFLSA-N 0 0 343.224 4.147 50 0 EIAARN Cc1ccc(F)c(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1 ZINC000169775580 564017209 /nfs/dbraw/zinc/01/72/09/564017209.db2.gz MHUGACJOSYAOHR-UHFFFAOYSA-N 0 0 347.353 4.385 50 0 EIAARN CCCOc1ccccc1NC(=O)CN1c2ccccc2CC[C@H]1C ZINC000011193088 564017607 /nfs/dbraw/zinc/01/76/07/564017607.db2.gz MLGQZDSBKXOWDP-MRXNPFEDSA-N 0 0 338.451 4.255 50 0 EIAARN COc1cc(C[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O ZINC000014760155 564017767 /nfs/dbraw/zinc/01/77/67/564017767.db2.gz QDDILOVMGWUNGD-ZIAGYGMSSA-N 0 0 328.408 4.187 50 0 endogenous,in-man EIAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000018124794 564018312 /nfs/dbraw/zinc/01/83/12/564018312.db2.gz JBHBPOVBASQXME-OAHLLOKOSA-N 0 0 348.402 4.365 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)n1 ZINC000018254045 564018989 /nfs/dbraw/zinc/01/89/89/564018989.db2.gz XCAYNZKWCDXGJJ-UHFFFAOYSA-N 0 0 327.334 4.020 50 0 EIAARN COc1ccc(-c2cc(C(=O)NC(C)(C)C)c3ccccc3n2)cc1 ZINC000000503895 564019209 /nfs/dbraw/zinc/01/92/09/564019209.db2.gz LPOLDMROCIBDJQ-UHFFFAOYSA-N 0 0 334.419 4.439 50 0 EIAARN COc1ccc(CNc2ncnc3c4cc(Cl)ccc4[nH]c32)cc1 ZINC000000520516 564020992 /nfs/dbraw/zinc/02/09/92/564020992.db2.gz AUYXHTPLZMSCHY-UHFFFAOYSA-N 0 0 338.798 4.385 50 0 EIAARN COc1ccc(Nc2nc(-c3ccccn3)nc3ccccc32)cc1 ZINC000000521656 564021051 /nfs/dbraw/zinc/02/10/51/564021051.db2.gz WBFPWBUAAALPLF-UHFFFAOYSA-N 0 0 328.375 4.444 50 0 EIAARN CCCn1nc(NC(=O)c2ccccc2F)c2cc3ccccc3nc21 ZINC000000530334 564021505 /nfs/dbraw/zinc/02/15/05/564021505.db2.gz FZNJQJNHOXKXPJ-UHFFFAOYSA-N 0 0 348.381 4.386 50 0 EIAARN Cc1ccc(-n2ncc3c4nnc(C5CCCCC5)n4cnc32)cc1C ZINC000000543530 564022548 /nfs/dbraw/zinc/02/25/48/564022548.db2.gz WTCPBRQLZWAGQP-UHFFFAOYSA-N 0 0 346.438 4.128 50 0 EIAARN Cn1c2ccccc2nc1-c1ccc(-c2nc3cnccc3n2C)cc1 ZINC000000547343 564022759 /nfs/dbraw/zinc/02/27/59/564022759.db2.gz TYYXSGCTVLLYKK-UHFFFAOYSA-N 0 0 339.402 4.189 50 0 EIAARN O=c1cc(Cc2ccccc2)[nH]c2cc(-c3ccc(Cl)cc3)nn21 ZINC000103897121 564023271 /nfs/dbraw/zinc/02/32/71/564023271.db2.gz GZDSUODXURSUIO-UHFFFAOYSA-N 0 0 335.794 4.346 50 0 EIAARN CCc1c(C(=O)Nc2ccc(C)cn2)cnn1-c1cccc(Cl)c1 ZINC000024567503 564023597 /nfs/dbraw/zinc/02/35/97/564023597.db2.gz RYGXVAYYFHLNBI-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)n[nH]2)cc1 ZINC000051315393 564024284 /nfs/dbraw/zinc/02/42/84/564024284.db2.gz LKUHLTQYVFVLEG-UHFFFAOYSA-N 0 0 335.407 4.345 50 0 EIAARN C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)c1ccc(F)cc1 ZINC000006436871 564024521 /nfs/dbraw/zinc/02/45/21/564024521.db2.gz TUMUXGHDEJXMBO-LBPRGKRZSA-N 0 0 332.396 4.351 50 0 EIAARN Cc1cccnc1CNC(=O)Nc1ccccc1COc1ccccc1 ZINC000105012470 564024571 /nfs/dbraw/zinc/02/45/71/564024571.db2.gz HKLZNONGZOYDMO-UHFFFAOYSA-N 0 0 347.418 4.291 50 0 EIAARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NC(=S)N2)cc1 ZINC000051329831 564025166 /nfs/dbraw/zinc/02/51/66/564025166.db2.gz YMSAAHXCMQWYJH-LJQANCHMSA-N 0 0 346.455 4.408 50 0 EIAARN O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCC[C@H]2CCCC[C@H]21 ZINC000105934382 564025356 /nfs/dbraw/zinc/02/53/56/564025356.db2.gz UIQMSGQVYZXARC-BRWVUGGUSA-N 0 0 332.513 4.066 50 0 EIAARN Cc1cccc(CNc2ccc(-c3nc(-c4ccccc4)no3)nn2)c1 ZINC000046913550 564025480 /nfs/dbraw/zinc/02/54/80/564025480.db2.gz ONTDOQDXGAMSIH-UHFFFAOYSA-N 0 0 343.390 4.114 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000110567664 564025707 /nfs/dbraw/zinc/02/57/07/564025707.db2.gz VZVCWHOTAKFGAH-QKNQBKEWSA-N 0 0 346.405 4.230 50 0 EIAARN CC(C)c1noc(CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000047274070 564026068 /nfs/dbraw/zinc/02/60/68/564026068.db2.gz KIBLRWZWTMWLKU-UHFFFAOYSA-N 0 0 340.402 4.103 50 0 EIAARN O=C(CCc1ccsc1)Nc1ccc(Sc2nncs2)cc1 ZINC000047407767 564026244 /nfs/dbraw/zinc/02/62/44/564026244.db2.gz SPOKCHBOJQOHDN-UHFFFAOYSA-N 0 0 347.490 4.322 50 0 EIAARN C[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1ccccc1 ZINC000012104725 564026350 /nfs/dbraw/zinc/02/63/50/564026350.db2.gz HUDBPNGDFKSPID-CYBMUJFWSA-N 0 0 344.484 4.047 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000044845136 564027467 /nfs/dbraw/zinc/02/74/67/564027467.db2.gz GACJDWNADSZEMP-UHFFFAOYSA-N 0 0 332.787 4.469 50 0 EIAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)(C)C)n2)cn1 ZINC000044903461 564027633 /nfs/dbraw/zinc/02/76/33/564027633.db2.gz QYXXGUUIVYSYTH-UHFFFAOYSA-N 0 0 336.395 4.092 50 0 EIAARN Cc1ccsc1CNc1nn2cc(-c3ccccc3)nc2s1 ZINC000045733656 564028630 /nfs/dbraw/zinc/02/86/30/564028630.db2.gz PJGAVVMHRDDXOJ-UHFFFAOYSA-N 0 0 326.450 4.440 50 0 EIAARN CCOc1ccc(NC(=O)Nc2ccccc2Br)cc1 ZINC000051355989 564029296 /nfs/dbraw/zinc/02/92/96/564029296.db2.gz AIQXDDZLLSIABB-UHFFFAOYSA-N 0 0 335.201 4.492 50 0 EIAARN CCCc1cc(=O)oc2cc(OCc3nnc(C(C)(C)C)o3)ccc12 ZINC000046084359 564029574 /nfs/dbraw/zinc/02/95/74/564029574.db2.gz KBQOJGYUKOTEQF-UHFFFAOYSA-N 0 0 342.395 4.005 50 0 EIAARN Cc1noc(C)c1CSCc1nc(Cc2ccc(Cl)cc2)no1 ZINC000109611858 564029586 /nfs/dbraw/zinc/02/95/86/564029586.db2.gz ZDZAARHDZDUQIX-UHFFFAOYSA-N 0 0 349.843 4.352 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)nc1)N1CCC[C@@H]1c1cccs1 ZINC000048085055 564029965 /nfs/dbraw/zinc/02/99/65/564029965.db2.gz VSTTVJUZWNURTQ-OAHLLOKOSA-N 0 0 342.468 4.112 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)o1 ZINC000048236897 564030193 /nfs/dbraw/zinc/03/01/93/564030193.db2.gz HBDRSQDHBKFAQO-RHSMWYFYSA-N 0 0 337.423 4.009 50 0 EIAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCc1cccs1 ZINC000048255601 564030253 /nfs/dbraw/zinc/03/02/53/564030253.db2.gz VNNNYKLAFMFKND-UHFFFAOYSA-N 0 0 345.468 4.015 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccco1 ZINC000048261579 564030366 /nfs/dbraw/zinc/03/03/66/564030366.db2.gz RBHIJZSQQXEEAJ-CQSZACIVSA-N 0 0 343.386 4.381 50 0 EIAARN COC(=O)c1oc(CN(C)Cc2cccc(C(F)(F)F)c2)cc1C ZINC000048286891 564030484 /nfs/dbraw/zinc/03/04/84/564030484.db2.gz UBMLIQRYALIVTB-UHFFFAOYSA-N 0 0 341.329 4.025 50 0 EIAARN COc1cc(C)c([C@H](C)NC(=O)c2c(C)oc(C)c2C)cc1OC ZINC000048286679 564030505 /nfs/dbraw/zinc/03/05/05/564030505.db2.gz QPWCUEZFFDOOIT-LBPRGKRZSA-N 0 0 331.412 4.021 50 0 EIAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1 ZINC000048287883 564030512 /nfs/dbraw/zinc/03/05/12/564030512.db2.gz AJNWVANEWDYGDZ-NHYWBVRUSA-N 0 0 326.371 4.296 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000048276443 564030584 /nfs/dbraw/zinc/03/05/84/564030584.db2.gz GLIWKLGNCXANBO-MRXNPFEDSA-N 0 0 328.481 4.422 50 0 EIAARN O=c1[nH]c(CN2CCC[C@@H]2c2ccsc2)nc2ccc(Cl)cc12 ZINC000048356080 564031403 /nfs/dbraw/zinc/03/14/03/564031403.db2.gz MFMZEIMALKSZFZ-OAHLLOKOSA-N 0 0 345.855 4.387 50 0 EIAARN C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048374751 564031692 /nfs/dbraw/zinc/03/16/92/564031692.db2.gz IMHBYQMFUUXUMU-OCCSQVGLSA-N 0 0 338.411 4.029 50 0 EIAARN Cc1cc(-c2nn3c(nnc3-c3ccccc3)s2)c2ccccc2n1 ZINC000000612634 564031971 /nfs/dbraw/zinc/03/19/71/564031971.db2.gz HIVZYJQJXQGHHV-UHFFFAOYSA-N 0 0 343.415 4.376 50 0 EIAARN Cc1ccc(N2C[C@H](c3noc(-c4ccc(C)c(C)c4)n3)CC2=O)cc1 ZINC000049060455 564032498 /nfs/dbraw/zinc/03/24/98/564032498.db2.gz GNMDCIKIJJGOHI-QGZVFWFLSA-N 0 0 347.418 4.182 50 0 EIAARN Cc1nn(C)c2c1[C@H](c1cccc(C(F)(F)F)c1)SCC(=O)N2 ZINC000049549080 564032793 /nfs/dbraw/zinc/03/27/93/564032793.db2.gz QNIFBVAKIHCVRP-ZDUSSCGKSA-N 0 0 341.358 4.172 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000024833842 564034055 /nfs/dbraw/zinc/03/40/55/564034055.db2.gz ZXFOJAOVYDCYJZ-UHFFFAOYSA-N 0 0 343.224 4.203 50 0 EIAARN CSc1ccc(CSCC(=O)NCc2ccc(F)cc2)cc1 ZINC000007151016 564034148 /nfs/dbraw/zinc/03/41/48/564034148.db2.gz PXIKOXFWWJNNTA-UHFFFAOYSA-N 0 0 335.469 4.097 50 0 EIAARN O=S(=O)(/C=C/c1ccccc1)NC1(c2cccs2)CCCC1 ZINC000390827789 564034752 /nfs/dbraw/zinc/03/47/52/564034752.db2.gz KEYLUWZOOKFZQO-GXDHUFHOSA-N 0 0 333.478 4.108 50 0 EIAARN Cc1ccc(C)n1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000604419332 564034868 /nfs/dbraw/zinc/03/48/68/564034868.db2.gz UEGCTMNBPMONQZ-MRXNPFEDSA-N 0 0 339.464 4.078 50 0 EIAARN COc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1OC ZINC000000817740 564035015 /nfs/dbraw/zinc/03/50/15/564035015.db2.gz RAMWIXXACUXTCL-FQEVSTJZSA-N 0 0 335.407 4.157 50 0 EIAARN Cc1nc(Cc2nc(-c3cccc(-c4cscn4)c3)no2)cs1 ZINC000390833359 564035067 /nfs/dbraw/zinc/03/50/67/564035067.db2.gz GPFMIROFHNTCTD-UHFFFAOYSA-N 0 0 340.433 4.216 50 0 EIAARN CN(Cc1ccc2ccccc2n1)C(=O)C1(c2ccccc2F)CC1 ZINC000221321347 564036151 /nfs/dbraw/zinc/03/61/51/564036151.db2.gz YQTYANHSGQOFNN-UHFFFAOYSA-N 0 0 334.394 4.064 50 0 EIAARN Cc1nc2ccccc2c2c1C[C@@H]([C@](C)(Cl)Br)O2 ZINC000000436230 564036708 /nfs/dbraw/zinc/03/67/08/564036708.db2.gz HIELOUZGQULWCY-JSGCOSHPSA-N 0 0 326.621 4.197 50 0 EIAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(F)c(F)cc1Cl ZINC000024894784 564036760 /nfs/dbraw/zinc/03/67/60/564036760.db2.gz FYEUBZSPMKOIBS-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN O=C(c1ccc(CO)cc1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000223572761 564040403 /nfs/dbraw/zinc/04/04/03/564040403.db2.gz RGJVBBOASDLYAN-IBGZPJMESA-N 0 0 327.399 4.076 50 0 EIAARN Cc1nc([C@@H](C)N(C)C(=O)c2cc(Cl)ccc2F)c(C)s1 ZINC000223648396 564040490 /nfs/dbraw/zinc/04/04/90/564040490.db2.gz GNOPTXDFVITLBV-MRVPVSSYSA-N 0 0 326.824 4.386 50 0 EIAARN FC(F)(F)[C@@H](NCc1ccnc(OCC2CC2)c1)c1ccccc1 ZINC000225573881 564047916 /nfs/dbraw/zinc/04/79/16/564047916.db2.gz BJIBQJZRQAJCJE-KRWDZBQOSA-N 0 0 336.357 4.264 50 0 EIAARN Fc1cc(CNc2ccc(Cl)c(Cl)n2)ccc1-n1ccnc1 ZINC000225640868 564048858 /nfs/dbraw/zinc/04/88/58/564048858.db2.gz UIWKPTRSUABXLV-UHFFFAOYSA-N 0 0 337.185 4.325 50 0 EIAARN Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2C)s1 ZINC000225688183 564049410 /nfs/dbraw/zinc/04/94/10/564049410.db2.gz CWLNIXFSFQMOAR-GFCCVEGCSA-N 0 0 330.482 4.255 50 0 EIAARN O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)[N@@H+]1CCc2ccccc2C1 ZINC000012391669 564050103 /nfs/dbraw/zinc/05/01/03/564050103.db2.gz OFGTYYROOWJJJE-SFHVURJKSA-N 0 0 340.810 4.005 50 0 EIAARN Cc1cc(OCC(=O)N2CCSc3ccccc32)cc(C)c1Cl ZINC000041155149 564050412 /nfs/dbraw/zinc/05/04/12/564050412.db2.gz JMTACYPIVOZUIN-UHFFFAOYSA-N 0 0 347.867 4.475 50 0 EIAARN O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1Cl ZINC000000858419 564051036 /nfs/dbraw/zinc/05/10/36/564051036.db2.gz OAAGNVBDLHBTPF-UHFFFAOYSA-N 0 0 335.142 4.319 50 0 biogenic EIAARN C[C@@H](NC(=O)c1ccncc1Br)c1cc2ccccc2o1 ZINC000124107409 564051358 /nfs/dbraw/zinc/05/13/58/564051358.db2.gz RPUZHWZTRUOHAW-SNVBAGLBSA-N 0 0 345.196 4.081 50 0 EIAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@H]2C1 ZINC000239038847 564051569 /nfs/dbraw/zinc/05/15/69/564051569.db2.gz FASWWPQUJBMJRU-XPGWFJOJSA-N 0 0 349.430 4.191 50 0 EIAARN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2Cc2nnc(C)o2)c1 ZINC000240886193 564051823 /nfs/dbraw/zinc/05/18/23/564051823.db2.gz INQIVRNLMDHJOU-TZIWHRDSSA-N 0 0 349.434 4.117 50 0 EIAARN Cc1ncc(C(=O)Nc2ccc3cccc(Cl)c3n2)c(C2CC2)n1 ZINC000241132895 564051853 /nfs/dbraw/zinc/05/18/53/564051853.db2.gz JMYGMVQVRSTDLH-UHFFFAOYSA-N 0 0 338.798 4.116 50 0 EIAARN C[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1cc2ccccc2o1 ZINC000241466158 564052007 /nfs/dbraw/zinc/05/20/07/564052007.db2.gz NVEXWNZPQJFUCP-LBPRGKRZSA-N 0 0 332.359 4.178 50 0 EIAARN O=C(C1CCCCC1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003646894 564052402 /nfs/dbraw/zinc/05/24/02/564052402.db2.gz SEWGEXBXVXXEIN-UHFFFAOYSA-N 0 0 330.387 4.468 50 0 EIAARN O=C(C[C@@H](c1cccc(O)c1)c1ccccc1Cl)N1CCCCO1 ZINC000015063264 564053239 /nfs/dbraw/zinc/05/32/39/564053239.db2.gz NNYYXJRQBHLXIO-KRWDZBQOSA-N 0 0 345.826 4.122 50 0 EIAARN C(=C/c1ccccc1)\CN(Cc1cc(C2CC2)on1)C[C@@H]1CCCO1 ZINC000252494459 564053498 /nfs/dbraw/zinc/05/34/98/564053498.db2.gz NWHXFTFMAKFQGJ-BFSLETRISA-N 0 0 338.451 4.246 50 0 EIAARN O=C(Nc1cnc2ccccc2c1)c1ccc(Br)s1 ZINC000025156096 564053655 /nfs/dbraw/zinc/05/36/55/564053655.db2.gz BEUZCJYCVCCRDP-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN CC(C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1 ZINC000025241176 564053887 /nfs/dbraw/zinc/05/38/87/564053887.db2.gz LYYKCPQIURJQOZ-UHFFFAOYSA-N 0 0 345.830 4.256 50 0 EIAARN O=c1ccc2ccc(Oc3ncnc4sc5c(c43)CCC5)cc2o1 ZINC000001014160 564054095 /nfs/dbraw/zinc/05/40/95/564054095.db2.gz CVXXFDJCCVQWCH-UHFFFAOYSA-N 0 0 336.372 4.079 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1 ZINC000001073465 564054369 /nfs/dbraw/zinc/05/43/69/564054369.db2.gz PIDNBKLJZIQIGV-UHFFFAOYSA-N 0 0 344.374 4.154 50 0 EIAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N(Cc1ccccn1)C1CC1 ZINC000052552821 564054459 /nfs/dbraw/zinc/05/44/59/564054459.db2.gz QUESNKAFUMNWLO-UHFFFAOYSA-N 0 0 336.366 4.286 50 0 EIAARN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000257346314 564055876 /nfs/dbraw/zinc/05/58/76/564055876.db2.gz YATPIFKIZZKJFX-FKGJNOFZSA-N 0 0 334.500 4.322 50 0 EIAARN COc1ccc(N2C(=O)c3ccccc3N[C@]23C[C@@H]2CC=C[C@@H]23)cc1 ZINC000005867985 564056773 /nfs/dbraw/zinc/05/67/73/564056773.db2.gz LCYMPMHYRUSCCD-DHUIEDIVSA-N 0 0 332.403 4.060 50 0 EIAARN Cc1ccc(NC(=S)Nc2ccc(C3N=NC(=S)O3)cc2)cc1 ZINC000005926459 564057034 /nfs/dbraw/zinc/05/70/34/564057034.db2.gz PSXSACCGONQJSA-UHFFFAOYSA-N 0 0 342.449 4.143 50 0 EIAARN Cc1ccc(NC(=O)NCCc2cccs2)c(Br)c1 ZINC000040098514 564057176 /nfs/dbraw/zinc/05/71/76/564057176.db2.gz AZWIWKDTFMYPEZ-UHFFFAOYSA-N 0 0 339.258 4.183 50 0 EIAARN CCC(CC)n1nc(C(=O)N[C@H]2CCCOc3ccccc32)cc1C ZINC000183414621 564057231 /nfs/dbraw/zinc/05/72/31/564057231.db2.gz AKNJKOZYAGUMHR-KRWDZBQOSA-N 0 0 341.455 4.196 50 0 EIAARN O=C(NC[C@H]1CC1(Cl)Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000005950504 564057266 /nfs/dbraw/zinc/05/72/66/564057266.db2.gz CEOHLJLDAZQMNT-ZCFIWIBFSA-N 0 0 328.026 4.309 50 0 EIAARN c1csc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000005954792 564057272 /nfs/dbraw/zinc/05/72/72/564057272.db2.gz CQNMCASGAWPODH-UHFFFAOYSA-N 0 0 342.493 4.382 50 0 EIAARN Cc1ccc2nc(CSc3nnc(-c4ccccc4F)o3)cn2c1 ZINC000005982359 564057417 /nfs/dbraw/zinc/05/74/17/564057417.db2.gz XYSACWQCUUJWOJ-UHFFFAOYSA-N 0 0 340.383 4.124 50 0 EIAARN O=C(NC[C@H](O)C1CCCCC1)c1ccc(-c2ccsc2)cc1 ZINC000225618792 564057491 /nfs/dbraw/zinc/05/74/91/564057491.db2.gz IJABGHFNFJVSDH-SFHVURJKSA-N 0 0 329.465 4.086 50 0 EIAARN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000001801587 564057800 /nfs/dbraw/zinc/05/78/00/564057800.db2.gz GTRQJXRXWJVEKC-AWNIVKPZSA-N 0 0 341.382 4.435 50 0 EIAARN Cc1ccnc(NC(=O)CCCc2ccc(Br)s2)c1 ZINC000012516894 564058076 /nfs/dbraw/zinc/05/80/76/564058076.db2.gz IZXIBJXIRHLESU-UHFFFAOYSA-N 0 0 339.258 4.175 50 0 EIAARN CCc1nc2ccccc2n1C[C@@H](O)c1cccc(Br)c1 ZINC000012525241 564058139 /nfs/dbraw/zinc/05/81/39/564058139.db2.gz IUXXTLQGCHVGKY-MRXNPFEDSA-N 0 0 345.240 4.095 50 0 EIAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3cccnc3)cc12 ZINC000012533492 564058347 /nfs/dbraw/zinc/05/83/47/564058347.db2.gz PCBLQPFVUHUDRW-UHFFFAOYSA-N 0 0 348.431 4.102 50 0 EIAARN C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000012539050 564058482 /nfs/dbraw/zinc/05/84/82/564058482.db2.gz WVHWTUJGRWRZPO-GFCCVEGCSA-N 0 0 327.815 4.026 50 0 EIAARN O=C(c1ccc(F)cc1)[C@@H](O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003212858 564058498 /nfs/dbraw/zinc/05/84/98/564058498.db2.gz GEOAWIDMZMOWMO-CQSZACIVSA-N 0 0 347.695 4.111 50 0 EIAARN Cc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)c(C)c2oc1=O ZINC000003256012 564058762 /nfs/dbraw/zinc/05/87/62/564058762.db2.gz ZJSXRHBYLCYFRX-UHFFFAOYSA-N 0 0 340.350 4.119 50 0 biogenic EIAARN C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000012547206 564058934 /nfs/dbraw/zinc/05/89/34/564058934.db2.gz LUQKEKGIHOKWFA-CQSZACIVSA-N 0 0 346.434 4.244 50 0 EIAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(Br)c1 ZINC000003334525 564059296 /nfs/dbraw/zinc/05/92/96/564059296.db2.gz HXQSWNZTRYNMHL-INIZCTEOSA-N 0 0 330.225 4.257 50 0 EIAARN CC(=O)[C@H](C)Sc1nc(-c2ccccc2)c2c(C)cc(C)nn12 ZINC000012559982 564059476 /nfs/dbraw/zinc/05/94/76/564059476.db2.gz LSFVOKFYFZIKOP-AWEZNQCLSA-N 0 0 325.437 4.083 50 0 EIAARN COc1ccc(CC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000003420872 564059592 /nfs/dbraw/zinc/05/95/92/564059592.db2.gz KNXFKHJRSZTHHN-UHFFFAOYSA-N 0 0 331.415 4.467 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1cc(C)ccc1C ZINC000003532957 564059905 /nfs/dbraw/zinc/05/99/05/564059905.db2.gz OLMJTDGSRPVXPR-UHFFFAOYSA-N 0 0 349.386 4.307 50 0 EIAARN Cc1c(C(=O)OCc2nc3ccccc3s2)cnn1-c1ccccc1 ZINC000012581758 564060062 /nfs/dbraw/zinc/06/00/62/564060062.db2.gz TYDSGCLYAVFCCW-UHFFFAOYSA-N 0 0 349.415 4.147 50 0 EIAARN Cc1ccc(C)c([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 ZINC000012592558 564060279 /nfs/dbraw/zinc/06/02/79/564060279.db2.gz HPZIMOKHXZNBFJ-JXFKEZNVSA-N 0 0 336.435 4.049 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000012607283 564060503 /nfs/dbraw/zinc/06/05/03/564060503.db2.gz XVYUDQPIRYSZCH-FQEVSTJZSA-N 0 0 336.822 4.183 50 0 EIAARN CN(Cc1ccc2ncccc2c1)C(=O)NC1(C2CCCCC2)CC1 ZINC000534644214 564061280 /nfs/dbraw/zinc/06/12/80/564061280.db2.gz JDMFUBOPBPLMQE-UHFFFAOYSA-N 0 0 337.467 4.489 50 0 EIAARN COCC(C)(C)NC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000534632463 564061327 /nfs/dbraw/zinc/06/13/27/564061327.db2.gz OFYLPMCTVHZKBL-UHFFFAOYSA-N 0 0 342.439 4.045 50 0 EIAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000015356265 564061613 /nfs/dbraw/zinc/06/16/13/564061613.db2.gz XMRMCBACMNOWBZ-UHFFFAOYSA-N 0 0 345.826 4.349 50 0 EIAARN Cn1cc(C(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2n1C ZINC000004038610 564061661 /nfs/dbraw/zinc/06/16/61/564061661.db2.gz LKCLDBWNAGGALM-UHFFFAOYSA-N 0 0 349.821 4.463 50 0 aggregator EIAARN CN(C)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000004059050 564061716 /nfs/dbraw/zinc/06/17/16/564061716.db2.gz PFIXPBZMGFHMKS-UHFFFAOYSA-N 0 0 329.450 4.190 50 0 EIAARN CCc1ccc(N(CC)C(=O)C(=O)c2c(C)n(C)c3ccccc32)cc1 ZINC000004062758 564061762 /nfs/dbraw/zinc/06/17/62/564061762.db2.gz NTRQGCHGSBMGQE-UHFFFAOYSA-N 0 0 348.446 4.285 50 0 EIAARN Cc1ccccc1-c1nnc(NC(=O)c2c(F)cccc2F)s1 ZINC000004072449 564061833 /nfs/dbraw/zinc/06/18/33/564061833.db2.gz XUJXGZUKFDYPLM-UHFFFAOYSA-N 0 0 331.347 4.044 50 0 EIAARN Cc1ccccc1-c1nsc(SCC(=O)c2ccccc2)n1 ZINC000004167498 564063754 /nfs/dbraw/zinc/06/37/54/564063754.db2.gz WURFSMFMQVWYIA-UHFFFAOYSA-N 0 0 326.446 4.489 50 0 EIAARN Cc1cc(C)cc(-n2nnnc2S[C@H](C)c2ccc(F)cc2)c1 ZINC000012730083 564063944 /nfs/dbraw/zinc/06/39/44/564063944.db2.gz HUVHJERKPYOLFW-CYBMUJFWSA-N 0 0 328.416 4.272 50 0 EIAARN Cc1ccc(F)cc1NC(=O)Cc1ncc(C(F)(F)F)cc1Cl ZINC000001386221 564064225 /nfs/dbraw/zinc/06/42/25/564064225.db2.gz MIZVHWCCMVMLLQ-UHFFFAOYSA-N 0 0 346.711 4.383 50 0 EIAARN O=C(CCCOc1ccc(F)cc1)Nc1ccc(O)c2ccccc12 ZINC000012734579 564064410 /nfs/dbraw/zinc/06/44/10/564064410.db2.gz BKHYAUBIWTWPDM-UHFFFAOYSA-N 0 0 339.366 4.482 50 0 EIAARN CN(Cn1ncsc1=S)C(c1ccccc1)c1ccccc1 ZINC000012733838 564064434 /nfs/dbraw/zinc/06/44/34/564064434.db2.gz UNTLAGVQANJAEJ-UHFFFAOYSA-N 0 0 327.478 4.353 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)C1=Cc2cc(Cl)ccc2OC1 ZINC000001391436 564064484 /nfs/dbraw/zinc/06/44/84/564064484.db2.gz NPENLNTVHGIBOP-UHFFFAOYSA-N 0 0 334.202 4.086 50 0 EIAARN CN(Cc1ccccc1)c1nc(-c2ccccc2)nnc1C(F)(F)F ZINC000001390229 564064502 /nfs/dbraw/zinc/06/45/02/564064502.db2.gz BPIWBKLIRYCDME-UHFFFAOYSA-N 0 0 344.340 4.194 50 0 EIAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(Cl)c3)ccc2o1 ZINC000012737267 564064663 /nfs/dbraw/zinc/06/46/63/564064663.db2.gz TVXQZJXLLBXZBZ-SNVBAGLBSA-N 0 0 329.787 4.229 50 0 EIAARN O=c1c2ccc(F)cc2ncn1Cc1sc2ccccc2c1Cl ZINC000025858979 564064726 /nfs/dbraw/zinc/06/47/26/564064726.db2.gz YIJCGISFYIRRBS-UHFFFAOYSA-N 0 0 344.798 4.452 50 0 EIAARN O=C1c2ccsc2SCCN1Cc1c(F)cccc1Cl ZINC000001403644 564065090 /nfs/dbraw/zinc/06/50/90/564065090.db2.gz GIDKCQUCTRGKTQ-UHFFFAOYSA-N 0 0 327.833 4.289 50 0 EIAARN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1csc2ccccc12 ZINC000116691466 564065481 /nfs/dbraw/zinc/06/54/81/564065481.db2.gz ONCXDHSGGPKXIN-QHCPKHFHSA-N 0 0 343.473 4.341 50 0 EIAARN COCCc1noc(-c2sc(-c3ccc(Cl)s3)nc2C)n1 ZINC000084064677 564065978 /nfs/dbraw/zinc/06/59/78/564065978.db2.gz PFQPOUDERSEQBJ-UHFFFAOYSA-N 0 0 341.845 4.072 50 0 EIAARN O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1nnsc1Cl ZINC000001417112 564066023 /nfs/dbraw/zinc/06/60/23/564066023.db2.gz JZWIBQWWNIRBDW-UHFFFAOYSA-N 0 0 343.022 4.404 50 0 EIAARN COc1ccc(NC(=O)Cc2ccccc2Cl)cc1OC(F)F ZINC000012749127 564066140 /nfs/dbraw/zinc/06/61/40/564066140.db2.gz SRSYJLRBMVOPDF-UHFFFAOYSA-N 0 0 341.741 4.131 50 0 EIAARN CC(C)c1noc2ncc(C(=O)OCc3c(F)cccc3Cl)cc21 ZINC000012751536 564067013 /nfs/dbraw/zinc/06/70/13/564067013.db2.gz IQUQQHOGXQWSMM-UHFFFAOYSA-N 0 0 348.761 4.496 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1[S@](C)=O)c1ccc2ccccc2c1 ZINC000012752366 564067136 /nfs/dbraw/zinc/06/71/36/564067136.db2.gz IHKDEQYLJHEGPM-JBEBIEQOSA-N 0 0 337.444 4.068 50 0 EIAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)c3cccc(C)c3C)c12 ZINC000084213390 564067398 /nfs/dbraw/zinc/06/73/98/564067398.db2.gz WNNDISIJZSIRIE-UHFFFAOYSA-N 0 0 348.450 4.048 50 0 EIAARN Cc1cnc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cn1 ZINC000084258316 564067574 /nfs/dbraw/zinc/06/75/74/564067574.db2.gz IJOBEULLOYQOAN-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CC(=O)Nc1cc(NC(=O)CCO[C@@H](C)CC(C)C)ccc1Cl ZINC000087192054 564067584 /nfs/dbraw/zinc/06/75/84/564067584.db2.gz VIIRUDNSVKEICG-LBPRGKRZSA-N 0 0 340.851 4.078 50 0 EIAARN O=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCc2ccccc21 ZINC000012764069 564067872 /nfs/dbraw/zinc/06/78/72/564067872.db2.gz QIPNUDQQHOXSKH-HNNXBMFYSA-N 0 0 336.218 4.176 50 0 EIAARN C[C@H](NC(=O)NCc1ccccc1)c1ccccc1Br ZINC000012765215 564067935 /nfs/dbraw/zinc/06/79/35/564067935.db2.gz UDAANFJYWFAHJE-LBPRGKRZSA-N 0 0 333.229 4.010 50 0 EIAARN O=C(OC1CCCCCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000084374398 564067971 /nfs/dbraw/zinc/06/79/71/564067971.db2.gz DZRFQXMFOVGXLA-GOSISDBHSA-N 0 0 345.439 4.074 50 0 EIAARN COc1ccc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000012769176 564068528 /nfs/dbraw/zinc/06/85/28/564068528.db2.gz ASUALTOORFMYAL-RYUDHWBXSA-N 0 0 335.753 4.200 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3Cl)c12 ZINC000012770397 564068872 /nfs/dbraw/zinc/06/88/72/564068872.db2.gz JWMJHYUACYAMRG-UHFFFAOYSA-N 0 0 345.761 4.453 50 0 EIAARN CC(C)c1ccc(C[S@](=O)Cc2cc(F)cc3c2OCOC3)cc1 ZINC000084625128 564069161 /nfs/dbraw/zinc/06/91/61/564069161.db2.gz HRHXRTIPSZHLPL-XMMPIXPASA-N 0 0 348.439 4.265 50 0 EIAARN O=C(CCc1ccco1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000012775947 564069330 /nfs/dbraw/zinc/06/93/30/564069330.db2.gz ORIDBKZXGWIRPM-UHFFFAOYSA-N 0 0 334.347 4.253 50 0 EIAARN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCCC1=CCCCC1 ZINC000084651627 564069362 /nfs/dbraw/zinc/06/93/62/564069362.db2.gz PEHSZQSXMONZJG-IZHWHUGBSA-N 0 0 348.512 4.017 50 0 EIAARN C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000084689576 564069601 /nfs/dbraw/zinc/06/96/01/564069601.db2.gz WDVCWHUDBXTGIM-MUKKUYKPSA-N 0 0 341.430 4.257 50 0 EIAARN O=C(c1ccc2ccccc2c1)N(CC(F)(F)F)[C@@H]1CCCOC1 ZINC000087389822 564069691 /nfs/dbraw/zinc/06/96/91/564069691.db2.gz JUJCERULXVTZDW-MRXNPFEDSA-N 0 0 337.341 4.023 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1ccc(C)c(C)c1)O[C@H](C)C2 ZINC000012779979 564069753 /nfs/dbraw/zinc/06/97/53/564069753.db2.gz NAGPVZRPDOJZHF-CQSZACIVSA-N 0 0 325.408 4.278 50 0 EIAARN CCC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000084740722 564070001 /nfs/dbraw/zinc/07/00/01/564070001.db2.gz WHXWCHIBKUFLGH-MRXNPFEDSA-N 0 0 343.471 4.030 50 0 EIAARN CC[C@@H](C)[C@@H](C(=O)Nc1cc(OC)ccc1OC)c1ccccc1 ZINC000012783944 564070150 /nfs/dbraw/zinc/07/01/50/564070150.db2.gz FCKSPBMIEYJTHA-AUUYWEPGSA-N 0 0 327.424 4.472 50 0 EIAARN CCCc1nc(SC)ncc1C(=O)Nc1cc(Cl)ccc1C ZINC000015681157 564070727 /nfs/dbraw/zinc/07/07/27/564070727.db2.gz CKQVNXTYKCTYTM-UHFFFAOYSA-N 0 0 335.860 4.365 50 0 EIAARN CC(=O)c1sc(NC(=O)C=Cc2ccco2)nc1-c1ccccc1 ZINC000005607653 564070499 /nfs/dbraw/zinc/07/04/99/564070499.db2.gz QIDPEFSQDDNKOB-MDZDMXLPSA-N 0 0 338.388 4.258 50 0 EIAARN Cc1ccc(N(C)C(=O)c2noc3c2COc2ccccc2-3)cc1C ZINC000015673857 564070511 /nfs/dbraw/zinc/07/05/11/564070511.db2.gz KQGMVKJNHHCBIB-UHFFFAOYSA-N 0 0 334.375 4.127 50 0 EIAARN CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC ZINC000005597618 564070518 /nfs/dbraw/zinc/07/05/18/564070518.db2.gz LGOBGUDEHHJNNV-PTTWRRFTSA-N 0 0 331.456 4.192 50 0 EIAARN O=C(c1noc2c1CSc1ccccc1-2)N1CCc2ccccc2C1 ZINC000015674002 564070549 /nfs/dbraw/zinc/07/05/49/564070549.db2.gz NLGQLZUXDSVDTL-UHFFFAOYSA-N 0 0 348.427 4.146 50 0 EIAARN Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000004305119 564072308 /nfs/dbraw/zinc/07/23/08/564072308.db2.gz VUKGXDXUOZUXQE-HXUWFJFHSA-N 0 0 346.430 4.122 50 0 EIAARN C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(-c3ccccc3)cc1)C2=O ZINC000004308986 564072380 /nfs/dbraw/zinc/07/23/80/564072380.db2.gz MKTASFILKHBQTM-ZHRRBRCNSA-N 0 0 348.446 4.354 50 0 EIAARN COCCc1ccc(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)cc1 ZINC000012808487 564072581 /nfs/dbraw/zinc/07/25/81/564072581.db2.gz MVVFSNVBIMJEEE-HNNXBMFYSA-N 0 0 342.464 4.294 50 0 EIAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC[C@H](C)C3)c2c1 ZINC000001459723 564072996 /nfs/dbraw/zinc/07/29/96/564072996.db2.gz KQCDWPZOHIDADL-INIZCTEOSA-N 0 0 345.446 4.477 50 0 EIAARN Cc1cccc(-c2ccccc2C(=O)NCCOc2ccccc2)c1 ZINC000012814184 564073075 /nfs/dbraw/zinc/07/30/75/564073075.db2.gz DCTAKEOMSRJFIC-UHFFFAOYSA-N 0 0 331.415 4.471 50 0 EIAARN Cc1nc(C(=O)NCc2ccc(F)cc2)cc2c3ccccc3[nH]c21 ZINC000006075848 564073498 /nfs/dbraw/zinc/07/34/98/564073498.db2.gz FMPMXQDFKIDOJW-UHFFFAOYSA-N 0 0 333.366 4.094 50 0 biogenic EIAARN CCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000006078148 564073529 /nfs/dbraw/zinc/07/35/29/564073529.db2.gz NAGIGVPVCPXYHG-UHFFFAOYSA-N 0 0 327.472 4.075 50 0 EIAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccsc1 ZINC000085474131 564073578 /nfs/dbraw/zinc/07/35/78/564073578.db2.gz ZSJOQKOYRIXKGE-UHFFFAOYSA-N 0 0 333.459 4.032 50 0 EIAARN Cc1cc(C)n(-c2nnc(Nc3ccccc3C)c3ccccc32)n1 ZINC000015777655 564074076 /nfs/dbraw/zinc/07/40/76/564074076.db2.gz PGGSPNADXPIKFO-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN c1c(CSc2nc(C3CC3)n(-c3ccccc3)n2)nc2ccccn12 ZINC000006105366 564074135 /nfs/dbraw/zinc/07/41/35/564074135.db2.gz LXBMMWUWISJRHX-UHFFFAOYSA-N 0 0 347.447 4.085 50 0 EIAARN Cc1cc(C(=O)CSc2ncnc3sccc32)c(C)n1C1CC1 ZINC000006115638 564074411 /nfs/dbraw/zinc/07/44/11/564074411.db2.gz WWNVVAGRTIUXOP-UHFFFAOYSA-N 0 0 343.477 4.420 50 0 EIAARN C[C@@H](Sc1cccc(O)c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000185683316 564074516 /nfs/dbraw/zinc/07/45/16/564074516.db2.gz RINRAXJFCGPUTC-IUODEOHRSA-N 0 0 333.478 4.298 50 0 EIAARN Cc1ccc(CNC(=O)c2sc3ncccc3c2-n2cccc2)cc1 ZINC000015786016 564074724 /nfs/dbraw/zinc/07/47/24/564074724.db2.gz MODYNCJCKYLWPG-UHFFFAOYSA-N 0 0 347.443 4.325 50 0 EIAARN C[C@@H]1CCn2c(nc3cc(C(=O)NC4CCCCCC4)ccc32)C1 ZINC000015786882 564074920 /nfs/dbraw/zinc/07/49/20/564074920.db2.gz DPRKOQAKIXDFNM-CQSZACIVSA-N 0 0 325.456 4.071 50 0 EIAARN CCc1ccccc1NC(=O)CCC(=O)c1cc(C)ccc1OC ZINC000012824899 564075035 /nfs/dbraw/zinc/07/50/35/564075035.db2.gz WKAAYKKDKQETQQ-UHFFFAOYSA-N 0 0 325.408 4.168 50 0 EIAARN CC[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1c(C)nn(C)c1C ZINC000086425598 564075638 /nfs/dbraw/zinc/07/56/38/564075638.db2.gz FRSIQIJMDMNPPH-BBRMVZONSA-N 0 0 344.459 4.016 50 0 EIAARN CCc1cnc([C@@H](C)NC(=O)N([C@@H](C)c2ccccn2)C2CC2)s1 ZINC000086428803 564075645 /nfs/dbraw/zinc/07/56/45/564075645.db2.gz IZYOPJBWISDIMJ-OLZOCXBDSA-N 0 0 344.484 4.097 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)C1CC1 ZINC000001518429 564075774 /nfs/dbraw/zinc/07/57/74/564075774.db2.gz IMSJXWBZNRCYHG-UHFFFAOYSA-N 0 0 348.427 4.390 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1nc(-c2ccco2)sc1C ZINC000012870152 564076009 /nfs/dbraw/zinc/07/60/09/564076009.db2.gz JBQRBUANWYTYBM-UHFFFAOYSA-N 0 0 328.393 4.281 50 0 EIAARN O=Cc1ccccc1OCCCCCCOc1ccccc1C=O ZINC000002170643 564076090 /nfs/dbraw/zinc/07/60/90/564076090.db2.gz PIPIQYSPUYAGOG-UHFFFAOYSA-N 0 0 326.392 4.330 50 0 EIAARN COc1ccc2c(c1)OCC(/C=C1/C(=O)Nc3cc(Cl)ccc31)=C2 ZINC000012872068 564076544 /nfs/dbraw/zinc/07/65/44/564076544.db2.gz NTMDMTGKWJNKQY-FRKPEAEDSA-N 0 0 339.778 4.160 50 0 EIAARN O=C(Nc1ccccc1Br)N1CCC[C@@H]1c1ccco1 ZINC000015837873 564076617 /nfs/dbraw/zinc/07/66/17/564076617.db2.gz MWPLTITVIZJBTC-CYBMUJFWSA-N 0 0 335.201 4.411 50 0 EIAARN COc1cccc(Cc2cnc(NC(=O)C3CCCCC3)s2)c1 ZINC000012876824 564076626 /nfs/dbraw/zinc/07/66/26/564076626.db2.gz ZYZZRCWIZOLMOZ-UHFFFAOYSA-N 0 0 330.453 4.261 50 0 EIAARN CCOCc1c2ccccc2oc1C(=O)Nc1ccc(OC)cc1 ZINC000006152192 564076862 /nfs/dbraw/zinc/07/68/62/564076862.db2.gz AKQHDEOZAKNYBE-UHFFFAOYSA-N 0 0 325.364 4.230 50 0 EIAARN S=C(NCCc1ccccc1)N[C@@H]1CCc2c1cccc2Cl ZINC000063790847 564077016 /nfs/dbraw/zinc/07/70/16/564077016.db2.gz VMBQFNJKANRYDB-QGZVFWFLSA-N 0 0 330.884 4.034 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3)o2)cs1 ZINC000012897765 564077650 /nfs/dbraw/zinc/07/76/50/564077650.db2.gz XTICSNPAYACWNL-UHFFFAOYSA-N 0 0 332.812 4.295 50 0 EIAARN O=c1nc(SCc2c(F)cccc2Cl)[nH]c2ccsc21 ZINC000012908566 564077912 /nfs/dbraw/zinc/07/79/12/564077912.db2.gz BSCWYENHPNCARL-UHFFFAOYSA-N 0 0 326.805 4.482 50 0 EIAARN CC(C)(C)c1ccccc1NC(=O)CCCNC(=O)c1cccs1 ZINC000012912158 564077960 /nfs/dbraw/zinc/07/79/60/564077960.db2.gz ITXUKMPEEFNKQF-UHFFFAOYSA-N 0 0 344.480 4.194 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(F)c(F)c1 ZINC000012919644 564078219 /nfs/dbraw/zinc/07/82/19/564078219.db2.gz HTAGYPZMXWTCBM-UHFFFAOYSA-N 0 0 329.346 4.055 50 0 EIAARN COc1ccccc1-c1noc2ncnc(Nc3ccccc3C)c12 ZINC000015934709 564078353 /nfs/dbraw/zinc/07/83/53/564078353.db2.gz DEKMHHVKEMJOFT-UHFFFAOYSA-N 0 0 332.363 4.345 50 0 EIAARN O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1COc2ccccc2C1 ZINC000012922528 564078419 /nfs/dbraw/zinc/07/84/19/564078419.db2.gz HXGBDVCASORPGE-LBPRGKRZSA-N 0 0 335.375 4.191 50 0 EIAARN C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 ZINC000012923545 564078460 /nfs/dbraw/zinc/07/84/60/564078460.db2.gz RWZZRASTZNXUDA-GFCCVEGCSA-N 0 0 342.826 4.180 50 0 EIAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000012929932 564078653 /nfs/dbraw/zinc/07/86/53/564078653.db2.gz XHSVTXICHWNSFN-FQEVSTJZSA-N 0 0 338.451 4.088 50 0 EIAARN O=C(C[C@H]1CCCO1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000049621384 564078656 /nfs/dbraw/zinc/07/86/56/564078656.db2.gz BJDDJPUUVNONCG-DYESRHJHSA-N 0 0 335.403 4.208 50 0 EIAARN O=C(COc1ccccc1)N[C@@H](c1ccsc1)c1cccs1 ZINC000575414703 564079046 /nfs/dbraw/zinc/07/90/46/564079046.db2.gz JSIOCPDKUAHMCW-KRWDZBQOSA-N 0 0 329.446 4.094 50 0 EIAARN O=C(Cc1csc(-c2ccco2)n1)N(Cc1ccccc1)C1CC1 ZINC000012937453 564079388 /nfs/dbraw/zinc/07/93/88/564079388.db2.gz UORMAHYOAWAEND-UHFFFAOYSA-N 0 0 338.432 4.137 50 0 EIAARN CC(C)C[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)n1cccc1 ZINC000575444033 564079614 /nfs/dbraw/zinc/07/96/14/564079614.db2.gz TZPFWTCUOSCOLC-INIZCTEOSA-N 0 0 340.452 4.233 50 0 EIAARN O=S(=O)(Oc1ccc2oc3c(c2c1)CCCC3)c1cccs1 ZINC000016085452 564079619 /nfs/dbraw/zinc/07/96/19/564079619.db2.gz WTYIQXFKPLZBFS-UHFFFAOYSA-N 0 0 334.418 4.141 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1Cl ZINC000012945902 564079691 /nfs/dbraw/zinc/07/96/91/564079691.db2.gz ISMYBASUSAXLMA-LBPRGKRZSA-N 0 0 349.839 4.468 50 0 EIAARN C[C@@H]1CCC[C@H](CCC#N)C1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004114480 564079701 /nfs/dbraw/zinc/07/97/01/564079701.db2.gz NPFNXRULYWTWIR-VXGBXAGGSA-N 0 0 345.359 4.011 50 0 EIAARN Cc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)n1 ZINC000012946465 564079704 /nfs/dbraw/zinc/07/97/04/564079704.db2.gz MRGBMGDYUADXTP-DHDCSXOGSA-N 0 0 344.823 4.280 50 0 EIAARN COc1c(Cl)cc(NCc2csc(NC(C)=O)n2)cc1Cl ZINC000075092083 564079892 /nfs/dbraw/zinc/07/98/92/564079892.db2.gz HYUFFQJAIVUZFF-UHFFFAOYSA-N 0 0 346.239 4.029 50 0 EIAARN COCc1cccc(CNC(=O)/C=C(/C)c2cccc(Cl)c2)c1 ZINC000075105084 564080046 /nfs/dbraw/zinc/08/00/46/564080046.db2.gz XNWBEWIHVCDVHL-ZROIWOOFSA-N 0 0 329.827 4.206 50 0 EIAARN Cc1cc(Br)cc(C)c1NC(=O)N(CC(F)F)C1CC1 ZINC000075109457 564080263 /nfs/dbraw/zinc/08/02/63/564080263.db2.gz NPJZPAJCYQBAFM-UHFFFAOYSA-N 0 0 347.203 4.327 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1ccc(Oc2nccs2)cc1 ZINC000225636429 564081676 /nfs/dbraw/zinc/08/16/76/564081676.db2.gz CPLQCVGJYQPQJP-UHFFFAOYSA-N 0 0 332.331 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Cc1coc(-c2cc(NC(=O)N3CCS[C@@H](C)CC3)ccc2C)n1 ZINC000192281966 564090083 /nfs/dbraw/zinc/09/00/83/564090083.db2.gz ILLHCTBRIICPSP-AWEZNQCLSA-N 0 0 345.468 4.318 50 0 EIAARN CCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000001933558 564090291 /nfs/dbraw/zinc/09/02/91/564090291.db2.gz NGDIKMOIMOVDBV-UHFFFAOYSA-N 0 0 342.464 4.019 50 0 EIAARN COc1cccc(Cl)c1CNc1ccc2c(c1)NC(=O)CS2 ZINC000089471446 564090775 /nfs/dbraw/zinc/09/07/75/564090775.db2.gz PKQDNQSPGPHFEO-UHFFFAOYSA-N 0 0 334.828 4.005 50 0 EIAARN O=C(Nc1ncc(-c2ccccc2)s1)c1cc(=O)c2ccccc2o1 ZINC000006496233 564090836 /nfs/dbraw/zinc/09/08/36/564090836.db2.gz YNCBZNIAKYQWBP-UHFFFAOYSA-N 0 0 348.383 4.169 50 0 EIAARN C[C@@H]1CCC[C@@H](OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 ZINC000521394011 564090871 /nfs/dbraw/zinc/09/08/71/564090871.db2.gz HSNAAGPUGCCJQJ-VYCZESIESA-N 0 0 342.439 4.410 50 0 EIAARN CCN(C(=O)CSc1nc2cc(C)ccc2[nH]1)c1ccccc1 ZINC000006505667 564091058 /nfs/dbraw/zinc/09/10/58/564091058.db2.gz RYZHOZVOTNZJQN-UHFFFAOYSA-N 0 0 325.437 4.017 50 0 EIAARN CC[C@H](C)c1ccc(OCC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000006508237 564091194 /nfs/dbraw/zinc/09/11/94/564091194.db2.gz UQYBJOLHBVSINB-AWEZNQCLSA-N 0 0 325.408 4.420 50 0 EIAARN CCc1ccc2nc(NC(=O)CCc3ccc(OC)cc3)sc2c1 ZINC000006509454 564091211 /nfs/dbraw/zinc/09/12/11/564091211.db2.gz MONKYIGECJBCEA-UHFFFAOYSA-N 0 0 340.448 4.439 50 0 EIAARN CCCCC1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000006510674 564091362 /nfs/dbraw/zinc/09/13/62/564091362.db2.gz JEUAYPHZXBFBTF-UHFFFAOYSA-N 0 0 344.499 4.458 50 0 EIAARN O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 ZINC000064486376 564091672 /nfs/dbraw/zinc/09/16/72/564091672.db2.gz UVRCHJLMLBDUGI-ROUUACIJSA-N 0 0 326.827 4.030 50 0 EIAARN c1ccc(OCCNc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000006557939 564092060 /nfs/dbraw/zinc/09/20/60/564092060.db2.gz ZDCLEKOSUUOVQA-UHFFFAOYSA-N 0 0 342.402 4.183 50 0 EIAARN CCOc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC000006587363 564092285 /nfs/dbraw/zinc/09/22/85/564092285.db2.gz 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EIAARN Cc1ccc(OCCC(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000007062290 564104509 /nfs/dbraw/zinc/10/45/09/564104509.db2.gz COOMDVMLPURBTM-UHFFFAOYSA-N 0 0 330.384 4.151 50 0 EIAARN CCn1cc(-c2ccc(OC)cc2)cc1C(=O)N[C@H](C)c1ccccn1 ZINC000065307118 564104914 /nfs/dbraw/zinc/10/49/14/564104914.db2.gz ABQRUPOTGQRLHS-OAHLLOKOSA-N 0 0 349.434 4.070 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1)c1cc2c(s1)CCCC2 ZINC000007107132 564104915 /nfs/dbraw/zinc/10/49/15/564104915.db2.gz TYUNOYXEKABPRI-UHFFFAOYSA-N 0 0 326.465 4.479 50 0 EIAARN Cc1ccc(Nc2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)nn1 ZINC000036705711 564105020 /nfs/dbraw/zinc/10/50/20/564105020.db2.gz BPJNSXXHNQYQKT-UHFFFAOYSA-N 0 0 343.390 4.262 50 0 EIAARN COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000007112640 564105032 /nfs/dbraw/zinc/10/50/32/564105032.db2.gz VQAADMNQHZDCRM-LJQANCHMSA-N 0 0 334.375 4.055 50 0 EIAARN CCn1c2ccccc2nc1SCc1cccc(C(=O)OC)c1 ZINC000007153840 564105541 /nfs/dbraw/zinc/10/55/41/564105541.db2.gz CEXDRYZQDARAAN-UHFFFAOYSA-N 0 0 326.421 4.135 50 0 EIAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc(C)cc2)o1 ZINC000007194782 564105668 /nfs/dbraw/zinc/10/56/68/564105668.db2.gz OZMGIJVNMUIOKX-GFCCVEGCSA-N 0 0 328.393 4.310 50 0 EIAARN Cc1nc2ccc(N[C@H](C)C(=O)N(C)Cc3ccccc3)cc2s1 ZINC000007242053 564105919 /nfs/dbraw/zinc/10/59/19/564105919.db2.gz GKAVQFHYGLKTHR-CYBMUJFWSA-N 0 0 339.464 4.064 50 0 EIAARN O=C(c1ccc2c(c1)CCC2)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000065474494 564106232 /nfs/dbraw/zinc/10/62/32/564106232.db2.gz FVWDSZQJXUGLPJ-UHFFFAOYSA-N 0 0 338.426 4.031 50 0 EIAARN COc1ccc2nc(C)c(C(=O)Nc3cccc4[nH]ccc43)cc2c1 ZINC000065479010 564106315 /nfs/dbraw/zinc/10/63/15/564106315.db2.gz XFKKDODBELOLCM-UHFFFAOYSA-N 0 0 331.375 4.285 50 0 EIAARN Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc(F)cc1 ZINC000007282126 564106398 /nfs/dbraw/zinc/10/63/98/564106398.db2.gz JTVRKCKZEOFNBJ-UHFFFAOYSA-N 0 0 341.411 4.051 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000065500959 564106578 /nfs/dbraw/zinc/10/65/78/564106578.db2.gz VKEYEVQNYBGILO-GFCCVEGCSA-N 0 0 345.418 4.163 50 0 EIAARN O=C(Nc1ccccc1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000007318713 564106734 /nfs/dbraw/zinc/10/67/34/564106734.db2.gz QKOFNCJJAFXTNB-UHFFFAOYSA-N 0 0 343.386 4.166 50 0 EIAARN O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCCC1 ZINC000065515824 564106742 /nfs/dbraw/zinc/10/67/42/564106742.db2.gz GDKMNQQLYMESPA-UHFFFAOYSA-N 0 0 326.343 4.065 50 0 EIAARN O=C(/C=C/c1nc2ccccc2o1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000065529352 564106923 /nfs/dbraw/zinc/10/69/23/564106923.db2.gz IUDBSYJHUBPWAA-KAUXGEHWSA-N 0 0 346.430 4.465 50 0 EIAARN Cc1nn(C)c(C)c1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000007337626 564106949 /nfs/dbraw/zinc/10/69/49/564106949.db2.gz CMOOJTXIFQXOEW-UHFFFAOYSA-N 0 0 335.436 4.452 50 0 EIAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(F)(F)F)C1 ZINC000065563999 564107021 /nfs/dbraw/zinc/10/70/21/564107021.db2.gz KQPLJPLDBPQFIU-ZJUUUORDSA-N 0 0 331.363 4.133 50 0 EIAARN C[C@@H]1CCc2ccccc2N1C(=O)CNc1ccc(OC(F)F)cc1 ZINC000065565729 564107100 /nfs/dbraw/zinc/10/71/00/564107100.db2.gz DSGDDHGACUVQTP-CYBMUJFWSA-N 0 0 346.377 4.068 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)Oc1ccc2c(c1)OCO2 ZINC000007402632 564107915 /nfs/dbraw/zinc/10/79/15/564107915.db2.gz UKRJOYOTPJNXNF-UHFFFAOYSA-N 0 0 345.401 4.128 50 0 EIAARN Cc1nc(-c2ccsc2)ccc1C(=O)Nc1nnc(C2CC2)s1 ZINC000065607748 564108199 /nfs/dbraw/zinc/10/81/99/564108199.db2.gz NWOGQYBFKVHLSL-UHFFFAOYSA-N 0 0 342.449 4.100 50 0 EIAARN C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccccn1 ZINC000037117653 564108236 /nfs/dbraw/zinc/10/82/36/564108236.db2.gz BXJOICZHLZEIEJ-SNVBAGLBSA-N 0 0 326.343 4.185 50 0 EIAARN C[C@H](NC(=O)C1CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000065611913 564108348 /nfs/dbraw/zinc/10/83/48/564108348.db2.gz RJJSFPGHRCDHHV-HNNXBMFYSA-N 0 0 325.408 4.083 50 0 EIAARN CC(=O)Nc1ccc(OCc2cc3ccccc3nc2Cl)cc1 ZINC000007427122 564108362 /nfs/dbraw/zinc/10/83/62/564108362.db2.gz XYJFRUSMUPBCDE-UHFFFAOYSA-N 0 0 326.783 4.426 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1c(F)cccc1N1CCCC1 ZINC000065614121 564108408 /nfs/dbraw/zinc/10/84/08/564108408.db2.gz IYZXBCLGJAPZID-UHFFFAOYSA-N 0 0 337.398 4.088 50 0 EIAARN CCCCc1nnc(-c2cc3ccccc3n2Cc2ccccn2)o1 ZINC000007453110 564108622 /nfs/dbraw/zinc/10/86/22/564108622.db2.gz ZDZCVCREBCFBBP-UHFFFAOYSA-N 0 0 332.407 4.477 50 0 EIAARN CC(C)(C)c1cc(NC(=O)CSCc2ccc(Cl)cc2)on1 ZINC000007454505 564108630 /nfs/dbraw/zinc/10/86/30/564108630.db2.gz RVSRJZBRTLZDKB-UHFFFAOYSA-N 0 0 338.860 4.497 50 0 EIAARN O=C(CSCc1ccc(Cl)cc1)Nc1cccnc1Cl ZINC000007483387 564108844 /nfs/dbraw/zinc/10/88/44/564108844.db2.gz ZADRAZXORHJHPW-UHFFFAOYSA-N 0 0 327.236 4.260 50 0 EIAARN O=C(Nc1ncc(Cc2ccccc2)s1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000170593187 564108930 /nfs/dbraw/zinc/10/89/30/564108930.db2.gz ZKGYLYBJHATEHU-QZTJIDSGSA-N 0 0 349.459 4.412 50 0 EIAARN C[S@@](=O)c1cccc(N[C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000170594422 564109014 /nfs/dbraw/zinc/10/90/14/564109014.db2.gz LYCQSKLLUKYIPA-YADARESESA-N 0 0 340.423 4.160 50 0 EIAARN COC[C@H](C)Nc1ncnc2scc(-c3ccc(C)c(C)c3)c21 ZINC000170595469 564109022 /nfs/dbraw/zinc/10/90/22/564109022.db2.gz AFCBLEMCJWUWEZ-ZDUSSCGKSA-N 0 0 327.453 4.422 50 0 EIAARN Cc1nc(NC(=O)c2ccnc(Cl)c2)c(-c2ccccc2)s1 ZINC000170595460 564109034 /nfs/dbraw/zinc/10/90/34/564109034.db2.gz XLEWYVSQUSOQLT-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1nc2ccccc2n1CCc1noc(-c2ccc(F)cc2C)n1 ZINC000170595970 564109051 /nfs/dbraw/zinc/10/90/51/564109051.db2.gz CWCRIXXGXJQJEQ-UHFFFAOYSA-N 0 0 336.370 4.085 50 0 EIAARN C=Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000170595937 564109078 /nfs/dbraw/zinc/10/90/78/564109078.db2.gz UQPJSJSPDAJHLN-LBPRGKRZSA-N 0 0 337.354 4.010 50 0 EIAARN CC(=O)Nc1cccc(C(=O)N[C@H]2c3ccccc3CCC[C@H]2C)c1 ZINC000170596168 564109089 /nfs/dbraw/zinc/10/90/89/564109089.db2.gz JYHAIRBHCOCLJF-JLTOFOAXSA-N 0 0 336.435 4.089 50 0 EIAARN CCCN(C)c1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)cc1 ZINC000170599492 564109290 /nfs/dbraw/zinc/10/92/90/564109290.db2.gz VEZXQFPVUKOGIS-GOSISDBHSA-N 0 0 343.496 4.275 50 0 EIAARN FC(F)(F)c1cccc(Oc2cccc(CNc3nnco3)c2)c1 ZINC000170607181 564109609 /nfs/dbraw/zinc/10/96/09/564109609.db2.gz DOLNMUMIBNYOEG-UHFFFAOYSA-N 0 0 335.285 4.493 50 0 EIAARN CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@H]1c1ccccc1 ZINC000170613904 564109895 /nfs/dbraw/zinc/10/98/95/564109895.db2.gz NOVGUZRHIRXEDL-AWEZNQCLSA-N 0 0 335.190 4.133 50 0 EIAARN Cc1[nH]nc(NC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1C ZINC000170616975 564110046 /nfs/dbraw/zinc/11/00/46/564110046.db2.gz ZZLKELHKEDEPKB-UHFFFAOYSA-N 0 0 342.399 4.102 50 0 EIAARN Cc1c(NC(=O)N(Cc2ccncc2)C2CC2)cccc1OC(F)F ZINC000071854977 564111378 /nfs/dbraw/zinc/11/13/78/564111378.db2.gz SPQYLQGCARPYKO-UHFFFAOYSA-N 0 0 347.365 4.188 50 0 EIAARN COC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004037906 564111658 /nfs/dbraw/zinc/11/16/58/564111658.db2.gz CEZKLEHYJURHTB-GEIXDPLRSA-N 0 0 349.515 4.115 50 0 biogenic EIAARN COC(=O)N[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004029853 564111673 /nfs/dbraw/zinc/11/16/73/564111673.db2.gz CEZKLEHYJURHTB-LXLNTTORSA-N 0 0 349.515 4.115 50 0 biogenic EIAARN CCn1c2ccccc2c(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1C(=O)[O-] ZINC000249694323 564111689 /nfs/dbraw/zinc/11/16/89/564111689.db2.gz OYVOOALBGOQSSH-JJRVBVJISA-N 0 0 328.456 4.274 50 0 EIAARN CC(C)c1ccc(CC(=O)Nc2nnc(Cc3cccs3)o2)cc1 ZINC000013653598 564111836 /nfs/dbraw/zinc/11/18/36/564111836.db2.gz UWYCCKIINGJRBB-UHFFFAOYSA-N 0 0 341.436 4.027 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)Nc2ccccc2Br)cc1 ZINC000013745442 564111999 /nfs/dbraw/zinc/11/19/99/564111999.db2.gz ZVQSCUPKSBXQTD-UHFFFAOYSA-N 0 0 348.200 4.052 50 0 EIAARN CC(=O)NCc1ccc(-c2nc(Cc3ccccc3)sc2C)s1 ZINC000014103628 564112171 /nfs/dbraw/zinc/11/21/71/564112171.db2.gz DMIFDCXLQCZZAR-UHFFFAOYSA-N 0 0 342.489 4.407 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000014104870 564112197 /nfs/dbraw/zinc/11/21/97/564112197.db2.gz AWUNDRRKJQHBEG-UHFFFAOYSA-N 0 0 338.329 4.146 50 0 EIAARN O=C(Cc1ccccc1Cl)Nc1ccccc1OCC(F)(F)F ZINC000014127671 564112221 /nfs/dbraw/zinc/11/22/21/564112221.db2.gz IFUOKBMAIHGBHU-UHFFFAOYSA-N 0 0 343.732 4.462 50 0 EIAARN O=C(NCCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000014245149 564112385 /nfs/dbraw/zinc/11/23/85/564112385.db2.gz JAPIPMKBHGKBSL-UHFFFAOYSA-N 0 0 345.398 4.055 50 0 EIAARN Cc1csc(N(C)C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1 ZINC000089705665 564113241 /nfs/dbraw/zinc/11/32/41/564113241.db2.gz NBTXZUDPOAEMSV-UHFFFAOYSA-N 0 0 325.437 4.088 50 0 EIAARN Cc1ncc(Cl)c(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)n1 ZINC000089730046 564113442 /nfs/dbraw/zinc/11/34/42/564113442.db2.gz GAMDLXIDAOBTJP-UHFFFAOYSA-N 0 0 342.830 4.301 50 0 EIAARN O=C(COC1CCCCC1)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000089774329 564113646 /nfs/dbraw/zinc/11/36/46/564113646.db2.gz CVSIFVZZNFRGPR-UHFFFAOYSA-N 0 0 342.317 4.134 50 0 EIAARN O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1cccc(O)c1 ZINC000089780607 564113690 /nfs/dbraw/zinc/11/36/90/564113690.db2.gz PPHCULNHLPBHAW-INIZCTEOSA-N 0 0 338.388 4.038 50 0 EIAARN O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1cccc(O)c1 ZINC000089780608 564113695 /nfs/dbraw/zinc/11/36/95/564113695.db2.gz PPHCULNHLPBHAW-MRXNPFEDSA-N 0 0 338.388 4.038 50 0 EIAARN O=C(Nc1cccc(-c2nccs2)c1)c1ccc2c(n1)CCCC2 ZINC000089780574 564113698 /nfs/dbraw/zinc/11/36/98/564113698.db2.gz INKNFPFKWRUELE-UHFFFAOYSA-N 0 0 335.432 4.336 50 0 EIAARN O=C(NCc1cc(Cl)ccn1)Nc1ccccc1C(F)(F)F ZINC000089813302 564113993 /nfs/dbraw/zinc/11/39/93/564113993.db2.gz GHSDLJWJNIAYHM-UHFFFAOYSA-N 0 0 329.709 4.076 50 0 EIAARN O=C(CC1CCCCCC1)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000089818863 564114031 /nfs/dbraw/zinc/11/40/31/564114031.db2.gz UZDJEEBJYFNKLZ-KRWDZBQOSA-N 0 0 344.503 4.029 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@H]1CCc2ccccc2C1 ZINC000089851147 564114340 /nfs/dbraw/zinc/11/43/40/564114340.db2.gz HKVWLDHDPFQQNM-NRFANRHFSA-N 0 0 344.458 4.288 50 0 EIAARN O[C@H]1CCCC[C@H]1Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000089866707 564114418 /nfs/dbraw/zinc/11/44/18/564114418.db2.gz GXNHPMSUEAXYTG-NWDGAFQWSA-N 0 0 328.359 4.044 50 0 EIAARN CCN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@@H](C)c1ccncc1 ZINC000076019110 564114510 /nfs/dbraw/zinc/11/45/10/564114510.db2.gz DIDWNSUOWSGQMT-INIZCTEOSA-N 0 0 349.434 4.279 50 0 EIAARN C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)o1 ZINC000089922276 564115439 /nfs/dbraw/zinc/11/54/39/564115439.db2.gz NHKUBOHGHBABCN-SCLBCKFNSA-N 0 0 349.434 4.013 50 0 EIAARN CCCOCC(=O)N(C)[C@H](c1csc2ccccc21)[C@@H]1C[C@@H]1C ZINC000076092808 564115645 /nfs/dbraw/zinc/11/56/45/564115645.db2.gz KHWLVDVPGVNPRD-OHNRDTAOSA-N 0 0 331.481 4.483 50 0 EIAARN CCc1ccc([C@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)cc1 ZINC000252011147 564116327 /nfs/dbraw/zinc/11/63/27/564116327.db2.gz SDDUJUBMPTYJCA-LSDHHAIUSA-N 0 0 342.508 4.107 50 0 EIAARN CCc1noc([C@H](C)SCc2cc(Cl)cc3c2OCOC3)n1 ZINC000076322683 564116462 /nfs/dbraw/zinc/11/64/62/564116462.db2.gz CGWFBLNTEGIZCW-VIFPVBQESA-N 0 0 340.832 4.146 50 0 EIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)ccc2F)c1 ZINC000122512637 564116565 /nfs/dbraw/zinc/11/65/65/564116565.db2.gz UYROSPYUHMPAQI-UHFFFAOYSA-N 0 0 334.778 4.388 50 0 EIAARN CN(C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1)c1ccccc1 ZINC000001050869 564116804 /nfs/dbraw/zinc/11/68/04/564116804.db2.gz AWRCLMXGQGOWKQ-UHFFFAOYSA-N 0 0 344.414 4.144 50 0 EIAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1ccccc1)c1ccccc1 ZINC000002875694 564117069 /nfs/dbraw/zinc/11/70/69/564117069.db2.gz SBJFBNCYLLCAJF-MSOLQXFVSA-N 0 0 347.505 4.068 50 0 EIAARN O=C(Nc1cccc(-c2noc(-c3ccccn3)n2)c1)c1cccs1 ZINC000006698134 564117412 /nfs/dbraw/zinc/11/74/12/564117412.db2.gz KOGIZENJUGAYHQ-UHFFFAOYSA-N 0 0 348.387 4.112 50 0 EIAARN CCOc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000007058841 564117531 /nfs/dbraw/zinc/11/75/31/564117531.db2.gz PEAJVWYQUUBYJC-LBPRGKRZSA-N 0 0 341.436 4.081 50 0 EIAARN Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000002522882 564117917 /nfs/dbraw/zinc/11/79/17/564117917.db2.gz PJWNWKCEAVLPQI-QPJJXVBHSA-N 0 0 342.855 4.118 50 0 EIAARN Cc1ccccc1N1COc2c(C)c3oc(=O)c4c(c3cc2C1)CCC4 ZINC000002118316 564118216 /nfs/dbraw/zinc/11/82/16/564118216.db2.gz QMTIAKDADXNXQZ-UHFFFAOYSA-N 0 0 347.414 4.255 50 0 biogenic EIAARN CCc1ccccc1N1COc2ccc3c(CC)cc(=O)oc3c2C1 ZINC000002120110 564118249 /nfs/dbraw/zinc/11/82/49/564118249.db2.gz NGLQTDBRSCHEFG-UHFFFAOYSA-N 0 0 335.403 4.274 50 0 biogenic EIAARN CCc1ccccc1N1COc2ccc3c(C)c(C)c(=O)oc3c2C1 ZINC000002122021 564118384 /nfs/dbraw/zinc/11/83/84/564118384.db2.gz AWVZZTNIZYLNGD-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000252444010 564118461 /nfs/dbraw/zinc/11/84/61/564118461.db2.gz OIWCBYBVRZEGJY-STQMWFEESA-N 0 0 341.282 4.444 50 0 EIAARN C[C@@H](NCc1sccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000193132402 564118564 /nfs/dbraw/zinc/11/85/64/564118564.db2.gz QRMWVVZDDHGMET-SECBINFHSA-N 0 0 337.807 4.441 50 0 EIAARN COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OC ZINC000002127284 564118566 /nfs/dbraw/zinc/11/85/66/564118566.db2.gz FEVPDXFNJVJJEL-AWEZNQCLSA-N 0 0 339.435 4.074 50 0 EIAARN COc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1C ZINC000252479421 564119143 /nfs/dbraw/zinc/11/91/43/564119143.db2.gz BEQAETDMAYGQGX-ZDUSSCGKSA-N 0 0 330.350 4.198 50 0 EIAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(Cl)nc1 ZINC000170645082 564120156 /nfs/dbraw/zinc/12/01/56/564120156.db2.gz NTJMSFMRRFUPDF-UHFFFAOYSA-N 0 0 347.890 4.093 50 0 EIAARN O=C(Nc1ccc(NC[C@@H]2CCC=CO2)cc1)N1CCCCCC1 ZINC000194145321 564120430 /nfs/dbraw/zinc/12/04/30/564120430.db2.gz RNYQSOFBVLKCQS-SFHVURJKSA-N 0 0 329.444 4.199 50 0 EIAARN Nc1c(-c2nc(-c3ccccc3)cs2)c(O)cn1-c1nccs1 ZINC000252539703 564120616 /nfs/dbraw/zinc/12/06/16/564120616.db2.gz OKHQKGHHORPEKK-UHFFFAOYSA-N 0 0 340.433 4.033 50 0 EIAARN CCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1C1CC1 ZINC000007618664 564121039 /nfs/dbraw/zinc/12/10/39/564121039.db2.gz HBAKXCQCGNZGEP-UHFFFAOYSA-N 0 0 341.480 4.029 50 0 EIAARN CCn1c(SCc2coc(-c3cccs3)n2)nnc1C1CC1 ZINC000007618579 564121049 /nfs/dbraw/zinc/12/10/49/564121049.db2.gz XRLMQMJREXDPQZ-UHFFFAOYSA-N 0 0 332.454 4.184 50 0 EIAARN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000007779741 564123106 /nfs/dbraw/zinc/12/31/06/564123106.db2.gz LJAUFZLFWGFDRO-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN CCC[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000007640430 564121439 /nfs/dbraw/zinc/12/14/39/564121439.db2.gz UFBIUDKWNCARLZ-LJQANCHMSA-N 0 0 336.435 4.336 50 0 EIAARN C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1nnc(C2CC2)n1C1CC1 ZINC000194543674 564121648 /nfs/dbraw/zinc/12/16/48/564121648.db2.gz MWTCUXROCHDMAR-QVQLBTGDSA-N 0 0 349.887 4.154 50 0 EIAARN C[C@H](Sc1n[nH]c(-c2ccccc2O)n1)c1ncc(C(C)(C)C)o1 ZINC000194586407 564121659 /nfs/dbraw/zinc/12/16/59/564121659.db2.gz GCPWVKQETQZIPH-JTQLQIEISA-N 0 0 344.440 4.316 50 0 EIAARN Cc1cc([C@@H](C)NCc2nc(Cc3ccccc3)no2)c(C)s1 ZINC000194561726 564121692 /nfs/dbraw/zinc/12/16/92/564121692.db2.gz HAOIQKYFCSVMTH-CYBMUJFWSA-N 0 0 327.453 4.190 50 0 EIAARN COc1ccc(CN(CC(=O)c2c(C)[nH]c3ccccc32)C2CC2)cc1 ZINC000007662027 564121714 /nfs/dbraw/zinc/12/17/14/564121714.db2.gz JVZREJXHIHGEDE-UHFFFAOYSA-N 0 0 348.446 4.332 50 0 EIAARN COc1ccc(CN(C)[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000007682656 564121885 /nfs/dbraw/zinc/12/18/85/564121885.db2.gz NOOTWGBWDJAQTD-HNNXBMFYSA-N 0 0 337.423 4.247 50 0 EIAARN O=C(NCc1ccco1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000007687341 564121925 /nfs/dbraw/zinc/12/19/25/564121925.db2.gz HYYRFXMKFKKEEG-UHFFFAOYSA-N 0 0 341.794 4.442 50 0 EIAARN C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)c1c[nH]c2ccccc21 ZINC000007703425 564122110 /nfs/dbraw/zinc/12/21/10/564122110.db2.gz XLZCVSZGZZNJHA-ZDUSSCGKSA-N 0 0 346.386 4.088 50 0 EIAARN O=C(CSc1ccc(F)c(Cl)c1)N1CCC(c2ccccc2)=N1 ZINC000007719151 564122205 /nfs/dbraw/zinc/12/22/05/564122205.db2.gz GKPNBSXSFBYQOQ-UHFFFAOYSA-N 0 0 348.830 4.208 50 0 EIAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cccc(Cl)c1 ZINC000007725691 564122263 /nfs/dbraw/zinc/12/22/63/564122263.db2.gz RJHIPLFULUWEAT-UHFFFAOYSA-N 0 0 344.798 4.167 50 0 EIAARN COc1ccc(Nc2ccc(-c3nc4ccccc4[nH]3)cn2)c(OC)c1 ZINC000007735872 564122404 /nfs/dbraw/zinc/12/24/04/564122404.db2.gz AHOGKJZSZIMVDI-UHFFFAOYSA-N 0 0 346.390 4.386 50 0 EIAARN Cc1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1C ZINC000007757080 564122737 /nfs/dbraw/zinc/12/27/37/564122737.db2.gz ZXZSUEUGSBRKSZ-UHFFFAOYSA-N 0 0 326.415 4.046 50 0 EIAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 ZINC000007763554 564122894 /nfs/dbraw/zinc/12/28/94/564122894.db2.gz XHAUWGYRSRGXSG-UHFFFAOYSA-N 0 0 341.461 4.317 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(Cl)c1 ZINC000007775686 564122998 /nfs/dbraw/zinc/12/29/98/564122998.db2.gz SHQFYJJPSDRIAR-LBPRGKRZSA-N 0 0 325.799 4.221 50 0 EIAARN COc1ccc(Cl)cc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000007777489 564123010 /nfs/dbraw/zinc/12/30/10/564123010.db2.gz NWMPKDAGFAMCPG-CQSZACIVSA-N 0 0 333.840 4.316 50 0 EIAARN CSc1ccccc1NC(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000007786789 564123299 /nfs/dbraw/zinc/12/32/99/564123299.db2.gz SSSQZANRQPQXOX-UHFFFAOYSA-N 0 0 343.448 4.409 50 0 EIAARN Cc1cc(C)cc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000007788345 564123339 /nfs/dbraw/zinc/12/33/39/564123339.db2.gz ATAGHRSPPHUNCB-UHFFFAOYSA-N 0 0 326.415 4.046 50 0 EIAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 ZINC000007794114 564123404 /nfs/dbraw/zinc/12/34/04/564123404.db2.gz WKXOBTYCJDRZDQ-UHFFFAOYSA-N 0 0 326.293 4.163 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000007804416 564123593 /nfs/dbraw/zinc/12/35/93/564123593.db2.gz VWXBASBABMACOW-NEFAXPCMSA-N 0 0 327.468 4.095 50 0 EIAARN C[C@@H](Nc1cccc(N2CCCNC2=O)c1)c1cc(F)c(F)c(F)c1 ZINC000195552506 564123716 /nfs/dbraw/zinc/12/37/16/564123716.db2.gz VZVOVBFHPVYNCT-LLVKDONJSA-N 0 0 349.356 4.197 50 0 EIAARN C[S@@](=O)Cc1cc(NCc2ccc(F)c(F)c2)ccc1Cl ZINC000195559031 564123824 /nfs/dbraw/zinc/12/38/24/564123824.db2.gz QTAGRARXCDBLLT-OAQYLSRUSA-N 0 0 329.799 4.109 50 0 EIAARN Cc1nn(C)c(C)c1Nc1ncnc2scc(-c3ccccc3)c21 ZINC000007813586 564123969 /nfs/dbraw/zinc/12/39/69/564123969.db2.gz ZJWUIVJWKXITMJ-UHFFFAOYSA-N 0 0 335.436 4.452 50 0 EIAARN COc1cc(C2SCCS2)ccc1OCc1c(C)noc1C ZINC000066059542 564124044 /nfs/dbraw/zinc/12/40/44/564124044.db2.gz GWJAQXQIWGJLPD-UHFFFAOYSA-N 0 0 337.466 4.358 50 0 EIAARN CCCOCC(=O)N(C)[C@H](c1csc2ccccc21)[C@H]1C[C@H]1C ZINC000252670355 564124804 /nfs/dbraw/zinc/12/48/04/564124804.db2.gz KHWLVDVPGVNPRD-WTANOLMUSA-N 0 0 331.481 4.483 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc(Br)c1 ZINC000003296619 564125049 /nfs/dbraw/zinc/12/50/49/564125049.db2.gz ALIMUZQVOPZDPM-WTNCMQEWSA-N 0 0 342.236 4.440 50 0 EIAARN O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCCCC1 ZINC000007911348 564125113 /nfs/dbraw/zinc/12/51/13/564125113.db2.gz PHHVPJOZQGGCIL-UHFFFAOYSA-N 0 0 345.446 4.225 50 0 EIAARN Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1C ZINC000007915254 564125115 /nfs/dbraw/zinc/12/51/15/564125115.db2.gz VMVJXCJDWLQDBN-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN Cc1ccccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000007918121 564125144 /nfs/dbraw/zinc/12/51/44/564125144.db2.gz QRAYESHDGIDXCN-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN COc1ccc([C@@H](O)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000002281288 564130226 /nfs/dbraw/zinc/13/02/26/564130226.db2.gz NOSBGNNBXLHPNW-INIZCTEOSA-N 0 0 330.361 4.224 50 0 EIAARN Cn1ccc2ccc(C(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)cc21 ZINC000253412044 564130700 /nfs/dbraw/zinc/13/07/00/564130700.db2.gz PSILJCBBADSAME-IBGZPJMESA-N 0 0 343.430 4.467 50 0 EIAARN O=C(Cc1cncn1Cc1ccccc1)Nc1cccc(C(F)F)c1 ZINC000253418522 564130953 /nfs/dbraw/zinc/13/09/53/564130953.db2.gz VTXOMVFYSRUXOK-UHFFFAOYSA-N 0 0 341.361 4.050 50 0 EIAARN Cn1ccc2cccc(NC(=O)N3CCC(c4nccs4)CC3)c21 ZINC000253420605 564131072 /nfs/dbraw/zinc/13/10/72/564131072.db2.gz KCNBSDZGXULCJK-UHFFFAOYSA-N 0 0 340.452 4.046 50 0 EIAARN Cc1cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCc3cccnc32)co1 ZINC000253425068 564131086 /nfs/dbraw/zinc/13/10/86/564131086.db2.gz OKLMOISEIBZPSQ-CQSZACIVSA-N 0 0 338.329 4.065 50 0 EIAARN Cc1csc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c1Cl ZINC000253430019 564131357 /nfs/dbraw/zinc/13/13/57/564131357.db2.gz JKZJKESSERRPTK-RYUDHWBXSA-N 0 0 339.844 4.031 50 0 EIAARN CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000253499603 564132767 /nfs/dbraw/zinc/13/27/67/564132767.db2.gz LDIFWCUQQYZOLG-FAFFLCSJSA-N 0 0 346.511 4.020 50 0 EIAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)CNc2ccc(C)cc2C)C1 ZINC000013144925 564133906 /nfs/dbraw/zinc/13/39/06/564133906.db2.gz QVVXTDDLTKDPGI-QGZVFWFLSA-N 0 0 325.456 4.120 50 0 EIAARN Fc1ccc(-c2noc(-c3ncoc3[C@H]3CCCO3)n2)c(Cl)c1 ZINC000225466871 564134983 /nfs/dbraw/zinc/13/49/83/564134983.db2.gz WKUSUEXUDLYKBQ-LLVKDONJSA-N 0 0 335.722 4.036 50 0 EIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1Cl ZINC000007945314 564135499 /nfs/dbraw/zinc/13/54/99/564135499.db2.gz SAFNVOPGHMMGJD-UHFFFAOYSA-N 0 0 347.827 4.331 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(c2nnc(Cc3ccncc3)c3ccccc32)C1 ZINC000013368670 564136314 /nfs/dbraw/zinc/13/63/14/564136314.db2.gz NXYDHDASUBTSDH-HZPDHXFCSA-N 0 0 332.451 4.098 50 0 EIAARN CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)CC ZINC000013370031 564136346 /nfs/dbraw/zinc/13/63/46/564136346.db2.gz LJZIUOQYSXYFRV-CVEARBPZSA-N 0 0 344.503 4.205 50 0 biogenic EIAARN CS[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000078821140 564137223 /nfs/dbraw/zinc/13/72/23/564137223.db2.gz CWSSUFZAKKPWPY-XHDPSFHLSA-N 0 0 349.887 4.145 50 0 EIAARN COc1ccccc1NC(=O)N1CCSC[C@H]1c1ccc(C)cc1 ZINC000078814316 564137261 /nfs/dbraw/zinc/13/72/61/564137261.db2.gz YSYKQKMZSWJZIT-KRWDZBQOSA-N 0 0 342.464 4.326 50 0 EIAARN CCCC(O)(CCC)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000079092685 564137809 /nfs/dbraw/zinc/13/78/09/564137809.db2.gz YEWCFVUAGVGLFG-UHFFFAOYSA-N 0 0 332.488 4.337 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)CCc3cscn3)cc2)nc1 ZINC000079094363 564137862 /nfs/dbraw/zinc/13/78/62/564137862.db2.gz NBUIILHKXGXJJK-UHFFFAOYSA-N 0 0 339.420 4.210 50 0 EIAARN CCc1nc(C[S@](=O)Cc2nc(-c3ccccc3)oc2C)cs1 ZINC000079324534 564138109 /nfs/dbraw/zinc/13/81/09/564138109.db2.gz DCVGGVURPVYPNR-HSZRJFAPSA-N 0 0 346.477 4.118 50 0 EIAARN CC(=O)N(c1nc(CN2CCC[C@H]2c2ccsc2)cs1)C1CC1 ZINC000079354049 564138145 /nfs/dbraw/zinc/13/81/45/564138145.db2.gz UCASSXGTDWTMBP-INIZCTEOSA-N 0 0 347.509 4.057 50 0 EIAARN CC(C)CC(=O)Nc1ccc(N2CCn3c4ccccc4nc3C2)cc1 ZINC000019855202 564138165 /nfs/dbraw/zinc/13/81/65/564138165.db2.gz MSCCWZYMFWIBAI-UHFFFAOYSA-N 0 0 348.450 4.041 50 0 EIAARN COc1cc(SC)ccc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000278415019 564138323 /nfs/dbraw/zinc/13/83/23/564138323.db2.gz ZROGDUDMWIKVNP-BBRMVZONSA-N 0 0 337.485 4.197 50 0 EIAARN O=C(Nc1ncccc1Cl)c1ccccc1CCC(F)(F)F ZINC000390833748 564138877 /nfs/dbraw/zinc/13/88/77/564138877.db2.gz MJQVHBRNRVIQSX-UHFFFAOYSA-N 0 0 328.721 4.482 50 0 EIAARN Cc1cccnc1[C@@H]1CCC[C@H](Nc2cccc(C[S@](C)=O)c2)C1 ZINC000390834474 564138946 /nfs/dbraw/zinc/13/89/46/564138946.db2.gz ZMKSZCBQXQCCAS-VUMVONDWSA-N 0 0 342.508 4.407 50 0 EIAARN CC(=O)c1c(F)cccc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278818808 564139080 /nfs/dbraw/zinc/13/90/80/564139080.db2.gz IYSNFJLLFOZQFR-UHFFFAOYSA-N 0 0 343.373 4.267 50 0 EIAARN O=C(c1cc2c(s1)CCCCCC2)N1CCc2ccc(O)cc2C1 ZINC000095356882 564139262 /nfs/dbraw/zinc/13/92/62/564139262.db2.gz LIRQDBPOWCWEMQ-UHFFFAOYSA-N 0 0 341.476 4.311 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCOc2ccccc21 ZINC000095365024 564139311 /nfs/dbraw/zinc/13/93/11/564139311.db2.gz ZDVSTUNCRRKESI-UHFFFAOYSA-N 0 0 332.403 4.040 50 0 EIAARN CSc1ccc(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)o1 ZINC000095395603 564139467 /nfs/dbraw/zinc/13/94/67/564139467.db2.gz BYGRXLVWINHCIL-QGZVFWFLSA-N 0 0 342.395 4.055 50 0 EIAARN CC(=O)NC(C)(C)c1noc(-c2sc3sccc3c2Cl)n1 ZINC000095396913 564139472 /nfs/dbraw/zinc/13/94/72/564139472.db2.gz GUUYINMMSTXJCA-UHFFFAOYSA-N 0 0 341.845 4.037 50 0 EIAARN O=C(N[C@H](c1ccc(F)cc1)C1CC1)N1CCC[C@H]1c1ccc[nH]1 ZINC000095397419 564139479 /nfs/dbraw/zinc/13/94/79/564139479.db2.gz XQOIZYLHXYPMSM-ROUUACIJSA-N 0 0 327.403 4.152 50 0 EIAARN Cc1ccc(C[S@@](=O)Cc2cn3cc(Cl)ccc3n2)cc1C ZINC000095412196 564139680 /nfs/dbraw/zinc/13/96/80/564139680.db2.gz AJNYNHHUMYCLPQ-QFIPXVFZSA-N 0 0 332.856 4.053 50 0 EIAARN Fc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)c1ccccn1)CCO2 ZINC000095419305 564139791 /nfs/dbraw/zinc/13/97/91/564139791.db2.gz FDZWKGNCVPKWNJ-RXVVDRJESA-N 0 0 334.394 4.424 50 0 EIAARN Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](CCO)c1cccs1 ZINC000095426706 564140214 /nfs/dbraw/zinc/14/02/14/564140214.db2.gz RFKODTHVDLGELH-CYBMUJFWSA-N 0 0 349.839 4.310 50 0 EIAARN CC(=O)c1c(F)cc(F)cc1OCC(=O)Nc1ccccc1C(C)C ZINC000095427696 564140253 /nfs/dbraw/zinc/14/02/53/564140253.db2.gz GPBJEGMHQYBBJT-UHFFFAOYSA-N 0 0 347.361 4.308 50 0 EIAARN C[C@H](NCc1cc(C(N)=O)cs1)c1cc(F)c(Cl)cc1Cl ZINC000095427492 564140258 /nfs/dbraw/zinc/14/02/58/564140258.db2.gz GCFKDCMWTOFIJR-ZETCQYMHSA-N 0 0 347.242 4.144 50 0 EIAARN FC(F)Sc1cccc(NCc2c[nH]nc2-c2cccnc2)c1 ZINC000095429015 564140272 /nfs/dbraw/zinc/14/02/72/564140272.db2.gz PTVXBJKIPXSVOU-UHFFFAOYSA-N 0 0 332.379 4.399 50 0 EIAARN CC(=O)N(Cc1ccc(NCc2cnn(C(C)(C)C)c2)cc1)C(C)C ZINC000095429193 564140318 /nfs/dbraw/zinc/14/03/18/564140318.db2.gz KBUDGWFUOYPQSA-UHFFFAOYSA-N 0 0 342.487 4.007 50 0 EIAARN COc1ccc2c(c1)nccc2OCc1csc([C@H]2CCCO2)n1 ZINC000095442472 564140490 /nfs/dbraw/zinc/14/04/90/564140490.db2.gz AEIURQGOERGEDO-QGZVFWFLSA-N 0 0 342.420 4.130 50 0 EIAARN O=[S@@](Cc1csc([C@@H]2CCCO2)n1)Cc1cccc(Cl)c1 ZINC000095442864 564140494 /nfs/dbraw/zinc/14/04/94/564140494.db2.gz IPAQWOLVPFCIHC-QKKBWIMNSA-N 0 0 341.885 4.097 50 0 EIAARN c1nc(CN(Cc2nc(C3CCCCCC3)no2)C2CC2)cs1 ZINC000095443260 564140531 /nfs/dbraw/zinc/14/05/31/564140531.db2.gz LMWPDTPQEWHIKH-UHFFFAOYSA-N 0 0 332.473 4.129 50 0 EIAARN CCOC(=O)c1sc(Nc2ccccc2Br)nc1C ZINC000095929460 564141947 /nfs/dbraw/zinc/14/19/47/564141947.db2.gz WZLQNRBCIFBAMD-UHFFFAOYSA-N 0 0 341.230 4.134 50 0 EIAARN COc1ccc(CCN[C@H](CCc2ccccc2)C(F)F)cc1OC ZINC000095466808 564141073 /nfs/dbraw/zinc/14/10/73/564141073.db2.gz JPVUBCYISOBDQU-QGZVFWFLSA-N 0 0 349.421 4.102 50 0 EIAARN Cc1nc2scc(CC(C)C)c2c(N2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000095467580 564141083 /nfs/dbraw/zinc/14/10/83/564141083.db2.gz HZQCZZOHXQRYDB-CQSZACIVSA-N 0 0 341.484 4.263 50 0 EIAARN CC(C)(C)c1cc(N2CCC[C@H]2c2ncc[nH]2)nc(C(C)(C)C)n1 ZINC000095467583 564141127 /nfs/dbraw/zinc/14/11/27/564141127.db2.gz KKJAQIDHHCQNGD-ZDUSSCGKSA-N 0 0 327.476 4.136 50 0 EIAARN Cc1ccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1F ZINC000020597618 564141714 /nfs/dbraw/zinc/14/17/14/564141714.db2.gz YVBWLJCCMCMPOJ-HNNXBMFYSA-N 0 0 325.387 4.155 50 0 EIAARN COc1cc(C)ccc1Oc1ccc(NCC2(C)CCOCC2)cn1 ZINC000095943700 564142119 /nfs/dbraw/zinc/14/21/19/564142119.db2.gz TVPCRBJFIHLJII-UHFFFAOYSA-N 0 0 342.439 4.420 50 0 EIAARN COCc1ccc([C@@H]2CCCN2C(=O)NC[C@H](C)c2ccsc2)o1 ZINC000095944858 564142192 /nfs/dbraw/zinc/14/21/92/564142192.db2.gz IDQAUDYJPYIWOY-BBRMVZONSA-N 0 0 348.468 4.138 50 0 EIAARN O=C(O[C@@H](c1ccncc1)c1ccc(F)cc1)c1cccc2c[nH]nc21 ZINC000095947511 564142240 /nfs/dbraw/zinc/14/22/40/564142240.db2.gz NQPMCQMBHPXYSL-LJQANCHMSA-N 0 0 347.349 4.043 50 0 EIAARN C[C@@H]1CCCCCN1C(=O)CCCCC(=O)N1CCCCC[C@H]1C ZINC000095959728 564142664 /nfs/dbraw/zinc/14/26/64/564142664.db2.gz JBPNRYYRNSOQNA-QZTJIDSGSA-N 0 0 336.520 4.129 50 0 EIAARN C[C@H](c1ccccc1)[C@](C)(O)C(=O)OCc1ccc(F)cc1Cl ZINC000095963508 564142849 /nfs/dbraw/zinc/14/28/49/564142849.db2.gz KTGXYVUOCKSJMA-XIKOKIGWSA-N 0 0 336.790 4.077 50 0 EIAARN COc1ccccc1Oc1ccc(CN[C@H](C)c2cnccn2)cc1 ZINC000095967874 564143100 /nfs/dbraw/zinc/14/31/00/564143100.db2.gz ZANBYDZPEWZJRD-OAHLLOKOSA-N 0 0 335.407 4.128 50 0 EIAARN CC(C)c1cnc(-c2ccc(NC(=O)N3CCOCC[C@H]3C)cc2)o1 ZINC000095984797 564143911 /nfs/dbraw/zinc/14/39/11/564143911.db2.gz FQODKCUQJBRPAB-CQSZACIVSA-N 0 0 343.427 4.108 50 0 EIAARN CC(C)Cn1ncnc1CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000095995292 564144232 /nfs/dbraw/zinc/14/42/32/564144232.db2.gz BHLQRZVOBYWLDZ-OAQYLSRUSA-N 0 0 346.478 4.082 50 0 EIAARN Cc1ccncc1NC(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1 ZINC000096000148 564144371 /nfs/dbraw/zinc/14/43/71/564144371.db2.gz AVQYXHQMWZNCES-HNNXBMFYSA-N 0 0 343.431 4.046 50 0 EIAARN COc1cc(CN2CCC=C(F)C2)c(-c2ccccc2)cc1OC ZINC000096003656 564144448 /nfs/dbraw/zinc/14/44/48/564144448.db2.gz XVCBLRVVLFOIBI-UHFFFAOYSA-N 0 0 327.399 4.430 50 0 EIAARN CCCc1occc1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000281438439 564144561 /nfs/dbraw/zinc/14/45/61/564144561.db2.gz RYFVOYSESMSDSA-VQIMIIECSA-N 0 0 345.414 4.364 50 0 EIAARN O=C(c1ccccc1)N1CCCCc2c(Br)cccc21 ZINC000096009679 564144669 /nfs/dbraw/zinc/14/46/69/564144669.db2.gz KCVMJQFMHSBFBJ-UHFFFAOYSA-N 0 0 330.225 4.432 50 0 EIAARN Cc1noc(Cc2ccccc2NC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000096097083 564145181 /nfs/dbraw/zinc/14/51/81/564145181.db2.gz FSDVHKGASPLTDS-UHFFFAOYSA-N 0 0 336.395 4.230 50 0 EIAARN O=C(NCCn1ccc(-c2cccs2)n1)Nc1ccccc1Cl ZINC000096103883 564145316 /nfs/dbraw/zinc/14/53/16/564145316.db2.gz UPXBIEUWVREBSF-UHFFFAOYSA-N 0 0 346.843 4.087 50 0 EIAARN O=C(/C=C/c1ccoc1)N(CCc1cccs1)Cc1ccco1 ZINC000096120281 564145542 /nfs/dbraw/zinc/14/55/42/564145542.db2.gz HQTGWACPYZHNRL-AATRIKPKSA-N 0 0 327.405 4.219 50 0 EIAARN Cc1cc(CNC(=O)CCc2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000096120547 564145568 /nfs/dbraw/zinc/14/55/68/564145568.db2.gz DXWHVOBWWMEDPL-UHFFFAOYSA-N 0 0 325.330 4.164 50 0 EIAARN Cc1sc(Cl)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000096231559 564146096 /nfs/dbraw/zinc/14/60/96/564146096.db2.gz BGNAHIVNJSXUQP-UHFFFAOYSA-N 0 0 336.722 4.256 50 0 EIAARN CC[C@H](C)[C@@H](NC(=O)C1CC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276014 564146245 /nfs/dbraw/zinc/14/62/45/564146245.db2.gz YXYSWJAZRSYNEZ-IINYFYTJSA-N 0 0 333.819 4.003 50 0 EIAARN CO[C@H](CNC(=O)C1(c2cccs2)CCCC1)c1cccc(F)c1 ZINC000096388186 564146970 /nfs/dbraw/zinc/14/69/70/564146970.db2.gz JGULFOXJOWEQQK-MRXNPFEDSA-N 0 0 347.455 4.203 50 0 EIAARN C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1cccc(OC(F)F)c1 ZINC000096404442 564147298 /nfs/dbraw/zinc/14/72/98/564147298.db2.gz MALOSUVOIPQDQK-KPWVOAKYSA-N 0 0 328.355 4.437 50 0 EIAARN CN(C)c1cccc([C@@H]2CCCN2C(=O)CCc2ccsc2)c1 ZINC000096410181 564147570 /nfs/dbraw/zinc/14/75/70/564147570.db2.gz AZHNLLRHVXMADI-SFHVURJKSA-N 0 0 328.481 4.110 50 0 EIAARN CC[C@@H](NC(=O)Nc1ccc(OC(C)C)cc1F)c1nccs1 ZINC000096415858 564147739 /nfs/dbraw/zinc/14/77/39/564147739.db2.gz LDURJGGYRXYROG-CYBMUJFWSA-N 0 0 337.420 4.342 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc2c(c1)N(CC)CC2 ZINC000096415920 564147748 /nfs/dbraw/zinc/14/77/48/564147748.db2.gz PLLQSYZPCKMUDQ-GOSISDBHSA-N 0 0 338.455 4.079 50 0 EIAARN CS[C@@H](C)c1cccc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)c1 ZINC000096415980 564147780 /nfs/dbraw/zinc/14/77/80/564147780.db2.gz LHYLBQKHYMTETJ-FZMZJTMJSA-N 0 0 347.484 4.468 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccccc1N(C)C ZINC000096417947 564147831 /nfs/dbraw/zinc/14/78/31/564147831.db2.gz MCEQDRMVYOIRJG-QGZVFWFLSA-N 0 0 326.444 4.153 50 0 EIAARN CC(=O)N1CCc2cc(N[C@@H](C)c3ncc(-c4ccccc4)o3)ccc21 ZINC000096436829 564148036 /nfs/dbraw/zinc/14/80/36/564148036.db2.gz DSKXTHOLVISDCV-AWEZNQCLSA-N 0 0 347.418 4.424 50 0 EIAARN Cc1ccc(F)cc1NC(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000096446170 564148235 /nfs/dbraw/zinc/14/82/35/564148235.db2.gz IAAPWCDVNCBMGX-RZFZLAGVSA-N 0 0 348.443 4.096 50 0 EIAARN C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C1 ZINC000096483246 564148652 /nfs/dbraw/zinc/14/86/52/564148652.db2.gz NFLRBCTZAOGMHB-ZIAGYGMSSA-N 0 0 336.501 4.202 50 0 EIAARN Clc1ccc(-c2ncc(CN[C@H]3CCCc4c[nH]nc43)s2)cc1 ZINC000284036979 564148985 /nfs/dbraw/zinc/14/89/85/564148985.db2.gz RMVGYAMMAZAANI-HNNXBMFYSA-N 0 0 344.871 4.354 50 0 EIAARN COCC[C@H](NCc1nc(C)c(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000284785620 564149318 /nfs/dbraw/zinc/14/93/18/564149318.db2.gz NPLBQEWCTLMTCY-HNNXBMFYSA-N 0 0 343.254 4.466 50 0 EIAARN CCCc1cc(=O)oc2c1ccc1c2CN(Cc2ccc(C)cc2)CO1 ZINC000055396222 564149721 /nfs/dbraw/zinc/14/97/21/564149721.db2.gz ICNCURZWHGOGTE-UHFFFAOYSA-N 0 0 349.430 4.406 50 0 biogenic EIAARN Cc1ncsc1C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000055443262 564149921 /nfs/dbraw/zinc/14/99/21/564149921.db2.gz STMLHGUCEZCLDK-NSHDSACASA-N 0 0 338.835 4.091 50 0 EIAARN COCCN(Cc1ccsc1)C(=O)c1cc2ccccc2s1 ZINC000225617765 564149973 /nfs/dbraw/zinc/14/99/73/564149973.db2.gz OXHZPIWIQZFFSS-UHFFFAOYSA-N 0 0 331.462 4.252 50 0 EIAARN Fc1cccc(-c2ccc(CNc3nnc([C@H]4CCCO4)o3)o2)c1F ZINC000225622106 564150004 /nfs/dbraw/zinc/15/00/04/564150004.db2.gz VRKHPPKEVDPHPM-CQSZACIVSA-N 0 0 347.321 4.071 50 0 EIAARN O=C(Nc1ccccc1Cl)N1CC[C@H](c2ccc3c(c2)OCO3)C1 ZINC000225679824 564150242 /nfs/dbraw/zinc/15/02/42/564150242.db2.gz SVCACVNLXDYQND-ZDUSSCGKSA-N 0 0 344.798 4.090 50 0 EIAARN C[C@@H](O)c1ccc(C2(CNC(=O)c3ccccc3F)CCCC2)s1 ZINC000225680624 564150257 /nfs/dbraw/zinc/15/02/57/564150257.db2.gz GXJOHFXLLBXOFI-CYBMUJFWSA-N 0 0 347.455 4.182 50 0 EIAARN CCCC[C@@H](C)C(=O)N1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000225703125 564150371 /nfs/dbraw/zinc/15/03/71/564150371.db2.gz GYCIQVZZTQIYQQ-GFCCVEGCSA-N 0 0 343.393 4.028 50 0 EIAARN CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc3c2CN(C)C3)c1 ZINC000225746583 564150456 /nfs/dbraw/zinc/15/04/56/564150456.db2.gz SVTYXZCFNRGOQM-HNNXBMFYSA-N 0 0 338.451 4.161 50 0 EIAARN Cc1ccc(C)c(OCc2ccc(C(=O)N3CCCCCC3)o2)c1 ZINC000028226628 564150733 /nfs/dbraw/zinc/15/07/33/564150733.db2.gz CYXWWLAGLYDPAF-UHFFFAOYSA-N 0 0 327.424 4.492 50 0 EIAARN Cc1nc(NC(=O)c2sc(Cc3ccccc3)nc2C)sc1C ZINC000028243269 564150811 /nfs/dbraw/zinc/15/08/11/564150811.db2.gz LCUZIYYYSRJPFQ-UHFFFAOYSA-N 0 0 343.477 4.368 50 0 EIAARN c1ccc(Cc2noc(CNc3ccccc3N3CCCCC3)n2)cc1 ZINC000055825780 564150877 /nfs/dbraw/zinc/15/08/77/564150877.db2.gz ALOVKQWSJWLNJA-UHFFFAOYSA-N 0 0 348.450 4.263 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2Cl)cc1 ZINC000002618074 564151152 /nfs/dbraw/zinc/15/11/52/564151152.db2.gz WUSIYPXOPWTDFE-UHFFFAOYSA-N 0 0 331.799 4.340 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)COc2cnc3ccccc3n2)cc1 ZINC000002618861 564151163 /nfs/dbraw/zinc/15/11/63/564151163.db2.gz PSQJMXDEVAEKKS-AWEZNQCLSA-N 0 0 335.407 4.161 50 0 EIAARN O=C(COc1ccc(Cl)c2ccccc12)NCc1cccs1 ZINC000002621808 564151230 /nfs/dbraw/zinc/15/12/30/564151230.db2.gz KTTOGSPUKLZFJY-UHFFFAOYSA-N 0 0 331.824 4.250 50 0 EIAARN Cc1cccc(-n2nnnc2SCc2ccc(F)cc2Cl)c1 ZINC000002625551 564151304 /nfs/dbraw/zinc/15/13/04/564151304.db2.gz CTCUMRAERYEASE-UHFFFAOYSA-N 0 0 334.807 4.056 50 0 EIAARN O=C(CN1CCCc2ccccc21)Nc1c(Cl)cccc1Cl ZINC000002630470 564151416 /nfs/dbraw/zinc/15/14/16/564151416.db2.gz RULFVGFQGHVRFW-UHFFFAOYSA-N 0 0 335.234 4.385 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)CSCCCc1ccccc1 ZINC000002631303 564151450 /nfs/dbraw/zinc/15/14/50/564151450.db2.gz VXXVVSIRIINOJW-INIZCTEOSA-N 0 0 325.477 4.330 50 0 EIAARN C[C@@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1ccccc1 ZINC000056187736 564151577 /nfs/dbraw/zinc/15/15/77/564151577.db2.gz AUGNKNYLLZGKMO-MRXNPFEDSA-N 0 0 347.418 4.100 50 0 EIAARN CCc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](C)C3)o2)cc1 ZINC000028576397 564151646 /nfs/dbraw/zinc/15/16/46/564151646.db2.gz KTZSPGJUPLMMQH-OAHLLOKOSA-N 0 0 327.424 4.293 50 0 EIAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1F ZINC000056205749 564151660 /nfs/dbraw/zinc/15/16/60/564151660.db2.gz FMUUHOPACSDRMU-NSHDSACASA-N 0 0 336.794 4.317 50 0 EIAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2cc(C)cc(C)c2)C(C)C)cc1 ZINC000002647904 564151843 /nfs/dbraw/zinc/15/18/43/564151843.db2.gz UWSQTYVFXVYZSQ-IBGZPJMESA-N 0 0 338.451 4.005 50 0 EIAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000002649870 564151882 /nfs/dbraw/zinc/15/18/82/564151882.db2.gz ASEQUVVHAWLRAW-CYBMUJFWSA-N 0 0 328.437 4.073 50 0 EIAARN CC(C)n1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000002721406 564152276 /nfs/dbraw/zinc/15/22/76/564152276.db2.gz MYGADJXDOPUGRQ-UHFFFAOYSA-N 0 0 341.842 4.243 50 0 EIAARN COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1 ZINC000002745778 564152386 /nfs/dbraw/zinc/15/23/86/564152386.db2.gz YAOZKRLMVDZQLH-UHFFFAOYSA-N 0 0 329.350 4.459 50 0 EIAARN CCc1c(C)sc2ncn3nc([C@H]4C[C@H]4c4ccccc4)nc3c12 ZINC000002805479 564152783 /nfs/dbraw/zinc/15/27/83/564152783.db2.gz WPZNERJASZDRAG-GJZGRUSLSA-N 0 0 334.448 4.481 50 0 EIAARN CCc1c(C)sc2ncn3nc([C@@H]4C[C@@H]4c4ccccc4)nc3c12 ZINC000002805482 564152789 /nfs/dbraw/zinc/15/27/89/564152789.db2.gz WPZNERJASZDRAG-HUUCEWRRSA-N 0 0 334.448 4.481 50 0 EIAARN Cc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)Cc2ccc(O)cc2)c1 ZINC000056771211 564152986 /nfs/dbraw/zinc/15/29/86/564152986.db2.gz CXGZNKKMPTUPET-UZLBHIALSA-N 0 0 338.451 4.178 50 0 EIAARN CN(C)c1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1 ZINC000002940152 564153096 /nfs/dbraw/zinc/15/30/96/564153096.db2.gz MJYVFURJKSKXFP-UHFFFAOYSA-N 0 0 341.436 4.059 50 0 EIAARN COC(=O)c1cc(Nc2ccc(N(C)C)cc2)c2cccc(C)c2n1 ZINC000056986969 564153180 /nfs/dbraw/zinc/15/31/80/564153180.db2.gz BKMNHWWFZHHZBT-UHFFFAOYSA-N 0 0 335.407 4.139 50 0 EIAARN O=C(c1cc(Cl)c[nH]1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057129613 564153276 /nfs/dbraw/zinc/15/32/76/564153276.db2.gz LXFFKUYQYCGOQV-UHFFFAOYSA-N 0 0 334.206 4.001 50 0 EIAARN Cc1ccccc1NC(=O)[C@H](c1ccccc1Cl)N1CCCC1 ZINC000057234761 564153434 /nfs/dbraw/zinc/15/34/34/564153434.db2.gz WIUCUUCKSXFMEV-SFHVURJKSA-N 0 0 328.843 4.424 50 0 EIAARN CC[C@@H](NC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1)c1cccs1 ZINC000057243502 564153444 /nfs/dbraw/zinc/15/34/44/564153444.db2.gz FPUFRAGFUGONBD-BLLLJJGKSA-N 0 0 345.468 4.218 50 0 EIAARN CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cccc(Cl)c1 ZINC000057412791 564154173 /nfs/dbraw/zinc/15/41/73/564154173.db2.gz CWXNAZPXCHSORN-UHFFFAOYSA-N 0 0 329.762 4.146 50 0 EIAARN COc1ccc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000057416226 564154204 /nfs/dbraw/zinc/15/42/04/564154204.db2.gz BYQZCQVDSSLMMW-NSHDSACASA-N 0 0 328.799 4.321 50 0 EIAARN c1ccc(COc2ccc(-c3noc(CN4CCCCC4)n3)cc2)cc1 ZINC000057427719 564154263 /nfs/dbraw/zinc/15/42/63/564154263.db2.gz WWPRZDUYTBHWTK-UHFFFAOYSA-N 0 0 349.434 4.302 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1 ZINC000029859289 564154431 /nfs/dbraw/zinc/15/44/31/564154431.db2.gz RSHSOXXEYHPTKF-UHFFFAOYSA-N 0 0 336.391 4.230 50 0 EIAARN CCCCS[C@H](C)C(=O)Nc1ccc(Oc2cnccn2)cc1 ZINC000057488354 564154497 /nfs/dbraw/zinc/15/44/97/564154497.db2.gz JODNKZIKQDHEFJ-CYBMUJFWSA-N 0 0 331.441 4.129 50 0 EIAARN C[C@H]1c2cccn2CCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000030263412 564155737 /nfs/dbraw/zinc/15/57/37/564155737.db2.gz SSODUMGGLVXYSW-NSHDSACASA-N 0 0 340.370 4.317 50 0 EIAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc(F)cc1 ZINC000003229433 564156312 /nfs/dbraw/zinc/15/63/12/564156312.db2.gz GCOPPVJAMIRJMV-UHFFFAOYSA-N 0 0 348.373 4.456 50 0 EIAARN CC[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)Nc1cc(C)on1 ZINC000030506358 564156577 /nfs/dbraw/zinc/15/65/77/564156577.db2.gz JHVLERWICCNALK-GFCCVEGCSA-N 0 0 328.796 4.285 50 0 EIAARN Clc1ccc(OCCSc2nnc3ccccn32)c(Cl)c1 ZINC000003267479 564156784 /nfs/dbraw/zinc/15/67/84/564156784.db2.gz NFBYLVQRYRXNCP-UHFFFAOYSA-N 0 0 340.235 4.207 50 0 EIAARN CC(=O)Nc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1 ZINC000003282139 564156924 /nfs/dbraw/zinc/15/69/24/564156924.db2.gz XQSLPWFAUCDPQC-UHFFFAOYSA-N 0 0 337.297 4.021 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(Cl)c3ccccc23)C1 ZINC000003324183 564157338 /nfs/dbraw/zinc/15/73/38/564157338.db2.gz PIUGNCLPOQUACE-ZIAGYGMSSA-N 0 0 331.843 4.377 50 0 EIAARN CCSc1nnc(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000003343742 564157519 /nfs/dbraw/zinc/15/75/19/564157519.db2.gz HTNZREOOLVGIQF-UHFFFAOYSA-N 0 0 348.280 4.138 50 0 EIAARN Cc1noc(Nc2ccc(NC(=O)Cc3cccs3)cc2)c1C ZINC000003354356 564157624 /nfs/dbraw/zinc/15/76/24/564157624.db2.gz HXESMFTUGKQQKD-UHFFFAOYSA-N 0 0 327.409 4.278 50 0 EIAARN CCc1nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2nc1CC ZINC000003359487 564157663 /nfs/dbraw/zinc/15/76/63/564157663.db2.gz XPMAPJRLDOEGLW-UHFFFAOYSA-N 0 0 347.418 4.210 50 0 EIAARN O=C(CSCc1ccc(Cl)cc1)NCc1cc2ccccc2[nH]1 ZINC000058111843 564157665 /nfs/dbraw/zinc/15/76/65/564157665.db2.gz UGRDHIDLIVSKRN-UHFFFAOYSA-N 0 0 344.867 4.371 50 0 EIAARN CSCc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000003402586 564157957 /nfs/dbraw/zinc/15/79/57/564157957.db2.gz UGBYODDYCIHLAP-UHFFFAOYSA-N 0 0 341.388 4.277 50 0 EIAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccncc1 ZINC000003412207 564158030 /nfs/dbraw/zinc/15/80/30/564158030.db2.gz ZSJAUYYRPATDBM-UHFFFAOYSA-N 0 0 345.118 4.115 50 0 EIAARN O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000003423029 564158055 /nfs/dbraw/zinc/15/80/55/564158055.db2.gz YFPTZKISEFMOIE-HNNXBMFYSA-N 0 0 326.396 4.413 50 0 EIAARN Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000003424736 564158071 /nfs/dbraw/zinc/15/80/71/564158071.db2.gz CGVDQZOJIBKUOY-JOCHJYFZSA-N 0 0 344.414 4.115 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)SC2CCCCC2)c1C ZINC000003440897 564158161 /nfs/dbraw/zinc/15/81/61/564158161.db2.gz USBNGFLZTLZBGJ-CYBMUJFWSA-N 0 0 337.485 4.445 50 0 EIAARN COc1ccc(-c2csc(NC(=O)Cc3cccc(F)c3)n2)cc1 ZINC000003455928 564158235 /nfs/dbraw/zinc/15/82/35/564158235.db2.gz OLAVKYUVWRVZGH-UHFFFAOYSA-N 0 0 342.395 4.139 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2F)cc1OCC ZINC000003459395 564158243 /nfs/dbraw/zinc/15/82/43/564158243.db2.gz SRWNHSSIPYPQFH-CYBMUJFWSA-N 0 0 331.387 4.114 50 0 EIAARN Cc1noc(C)c1Cc1nc(C2CC2)nn1Cc1ccccc1Cl ZINC000670444268 564158288 /nfs/dbraw/zinc/15/82/88/564158288.db2.gz CTPAOHULULZSPB-UHFFFAOYSA-N 0 0 342.830 4.053 50 0 EIAARN Cc1ccc(C(=O)[C@@H](Sc2nncn2C)c2ccc(C)cc2)cc1 ZINC000003523751 564158705 /nfs/dbraw/zinc/15/87/05/564158705.db2.gz IFHACACFDFWZTE-SFHVURJKSA-N 0 0 337.448 4.148 50 0 EIAARN CCSc1nnc(SCC(=O)c2c[nH]c3ccccc32)s1 ZINC000003544089 564158880 /nfs/dbraw/zinc/15/88/80/564158880.db2.gz PIMJQCQSFSABEF-UHFFFAOYSA-N 0 0 335.479 4.106 50 0 EIAARN COc1cc(C(=O)N[C@H]2CCCc3ccccc32)cc(Cl)c1OC ZINC000003553971 564158925 /nfs/dbraw/zinc/15/89/25/564158925.db2.gz XYMZHHSLCQGYDK-INIZCTEOSA-N 0 0 345.826 4.165 50 0 EIAARN C[C@@H]1CN(C(=O)c2cccc3ccccc32)C[C@H](c2ccccc2)O1 ZINC000058427117 564159109 /nfs/dbraw/zinc/15/91/09/564159109.db2.gz SLOUOPQKWSRCJR-IIBYNOLFSA-N 0 0 331.415 4.442 50 0 EIAARN COc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000003611892 564159203 /nfs/dbraw/zinc/15/92/03/564159203.db2.gz XKCGIHXZHUUEEM-UHFFFAOYSA-N 0 0 337.778 4.285 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)sc1Cl ZINC000263095232 564159487 /nfs/dbraw/zinc/15/94/87/564159487.db2.gz IHRWTIOLORVNBX-GDPRMGEGSA-N 0 0 334.268 4.273 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)CCOc1cccc(C)c1C ZINC000031547364 564159532 /nfs/dbraw/zinc/15/95/32/564159532.db2.gz FFLAYRKEACCPJG-UHFFFAOYSA-N 0 0 333.815 4.373 50 0 EIAARN CSc1ccccc1NC(=O)c1cc(-c2cccc(O)c2)on1 ZINC000003908323 564159681 /nfs/dbraw/zinc/15/96/81/564159681.db2.gz ATDVMZOOLSXWMS-UHFFFAOYSA-N 0 0 326.377 4.021 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1 ZINC000004033066 564160174 /nfs/dbraw/zinc/16/01/74/564160174.db2.gz LBCWOXDNARDELQ-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN O=C(CCCc1nc2ccccc2[nH]1)NCCCC1CCCCC1 ZINC000031934755 564160232 /nfs/dbraw/zinc/16/02/32/564160232.db2.gz QLYNVTKSVCMONH-UHFFFAOYSA-N 0 0 327.472 4.362 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000004081422 564160377 /nfs/dbraw/zinc/16/03/77/564160377.db2.gz UITNBJRZYAEYLY-AEFRDVJXSA-N 0 0 344.495 4.386 50 0 biogenic EIAARN O=C(Cc1cccs1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000004087785 564160464 /nfs/dbraw/zinc/16/04/64/564160464.db2.gz HYVJTMIDXFYJDR-UHFFFAOYSA-N 0 0 335.841 4.101 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCN=C2SCc2cccc(F)c2)c1 ZINC000004119854 564160705 /nfs/dbraw/zinc/16/07/05/564160705.db2.gz MCEPUXKQMFXFBI-UHFFFAOYSA-N 0 0 342.439 4.188 50 0 EIAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2cccs2)c1 ZINC000004120341 564160713 /nfs/dbraw/zinc/16/07/13/564160713.db2.gz SSHQWGMQCNMMIQ-UHFFFAOYSA-N 0 0 330.478 4.110 50 0 EIAARN O=C(c1cccs1)N1CCN=C1SCc1cccc(Cl)c1 ZINC000004120634 564160771 /nfs/dbraw/zinc/16/07/71/564160771.db2.gz OLYCSMIBFPPELK-UHFFFAOYSA-N 0 0 336.869 4.147 50 0 EIAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccco1 ZINC000004176322 564161025 /nfs/dbraw/zinc/16/10/25/564161025.db2.gz FISZZIYIDXQPIF-UHFFFAOYSA-N 0 0 327.390 4.265 50 0 EIAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000004251571 564161293 /nfs/dbraw/zinc/16/12/93/564161293.db2.gz GNCJHPAMBMBVCO-KRWDZBQOSA-N 0 0 347.443 4.338 50 0 EIAARN Cc1cc(F)ccc1NCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007978210 564161656 /nfs/dbraw/zinc/16/16/56/564161656.db2.gz UVJVXKZXTPZJSV-UHFFFAOYSA-N 0 0 326.293 4.204 50 0 EIAARN Cc1cc(C)n(CCCNC(=O)c2sc3ccccc3c2Cl)n1 ZINC000007981036 564161700 /nfs/dbraw/zinc/16/17/00/564161700.db2.gz GPTGUPVAKWEIEL-UHFFFAOYSA-N 0 0 347.871 4.188 50 0 EIAARN CCOc1ncccc1C(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000007986325 564161810 /nfs/dbraw/zinc/16/18/10/564161810.db2.gz VGZDIPHBZWYBRX-UHFFFAOYSA-N 0 0 346.430 4.342 50 0 EIAARN CC(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000007989832 564161953 /nfs/dbraw/zinc/16/19/53/564161953.db2.gz SNZXOPRQGMCYPL-SNVBAGLBSA-N 0 0 347.823 4.421 50 0 EIAARN Cc1noc(C)c1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007990099 564161996 /nfs/dbraw/zinc/16/19/96/564161996.db2.gz JUVVUBGBZSTCCC-UHFFFAOYSA-N 0 0 330.771 4.135 50 0 EIAARN C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1cccnc1 ZINC000007990906 564162045 /nfs/dbraw/zinc/16/20/45/564162045.db2.gz GRWHBMUSJYDXMI-MRXNPFEDSA-N 0 0 332.403 4.152 50 0 EIAARN C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000008033966 564162293 /nfs/dbraw/zinc/16/22/93/564162293.db2.gz RAXOHPYTWJPTPZ-GFCCVEGCSA-N 0 0 333.790 4.319 50 0 EIAARN Cc1noc(C)c1CCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000008038678 564162339 /nfs/dbraw/zinc/16/23/39/564162339.db2.gz BDFLJGQEGDMXBT-OAQYLSRUSA-N 0 0 348.446 4.324 50 0 EIAARN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000008083388 564162609 /nfs/dbraw/zinc/16/26/09/564162609.db2.gz TXQPQVMUNXYHQX-UHFFFAOYSA-N 0 0 329.371 4.134 50 0 EIAARN Cc1occc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008093810 564162632 /nfs/dbraw/zinc/16/26/32/564162632.db2.gz REJJUYOOMAOGEZ-ZDUSSCGKSA-N 0 0 326.421 4.218 50 0 EIAARN CCC(NCc1ccc(Cl)cc1)=C1N=C(c2ccccc2)OC1=O ZINC000038162893 564162726 /nfs/dbraw/zinc/16/27/26/564162726.db2.gz JRTBDAXKOHYCOI-MSUUIHNZSA-N 0 0 340.810 4.055 50 0 EIAARN O=C(NCc1ccco1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000008132085 564163031 /nfs/dbraw/zinc/16/30/31/564163031.db2.gz IBFNHGWLNNHXKT-UHFFFAOYSA-N 0 0 349.415 4.124 50 0 EIAARN Cc1nc2cc(NC(=O)c3c(C)onc3-c3ccccc3)ccc2o1 ZINC000008133656 564163072 /nfs/dbraw/zinc/16/30/72/564163072.db2.gz SEDHQDRHCZFCLX-UHFFFAOYSA-N 0 0 333.347 4.352 50 0 EIAARN Cn1ccnc1Sc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000008149069 564163190 /nfs/dbraw/zinc/16/31/90/564163190.db2.gz CQEMVYXVAGVINI-UHFFFAOYSA-N 0 0 342.424 4.382 50 0 EIAARN O=C(COc1cccc2cccnc21)N1CCC[C@H]1c1cccs1 ZINC000008157372 564163233 /nfs/dbraw/zinc/16/32/33/564163233.db2.gz HYJPFOOGANXJOA-HNNXBMFYSA-N 0 0 338.432 4.039 50 0 EIAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)NC1CCCCC1 ZINC000008165461 564163261 /nfs/dbraw/zinc/16/32/61/564163261.db2.gz SYRBOWOXSXGXIV-UHFFFAOYSA-N 0 0 326.444 4.217 50 0 EIAARN CCOc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC(F)F ZINC000008181718 564163358 /nfs/dbraw/zinc/16/33/58/564163358.db2.gz MROBZOKHZCDNDO-LBPRGKRZSA-N 0 0 335.350 4.178 50 0 EIAARN Cc1ccccc1-c1nc(C(=O)N(Cc2cccnc2)C2CC2)cs1 ZINC000066607104 564163570 /nfs/dbraw/zinc/16/35/70/564163570.db2.gz GZJTXNWBTKBJBF-UHFFFAOYSA-N 0 0 349.459 4.318 50 0 EIAARN Cc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1 ZINC000008230624 564163676 /nfs/dbraw/zinc/16/36/76/564163676.db2.gz YYLGAMHTENGDRP-UHFFFAOYSA-N 0 0 337.448 4.350 50 0 EIAARN C[C@H]1C[C@H](Sc2ncnc3sc(-c4ccccc4)cc32)C(=O)O1 ZINC000008278521 564163960 /nfs/dbraw/zinc/16/39/60/564163960.db2.gz XSTPNUFRDUMSFH-HZMBPMFUSA-N 0 0 342.445 4.154 50 0 EIAARN O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cccc(Cl)c1 ZINC000008291399 564164027 /nfs/dbraw/zinc/16/40/27/564164027.db2.gz OMPBCPMHHPNDRM-UHFFFAOYSA-N 0 0 349.173 4.400 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000008288943 564164052 /nfs/dbraw/zinc/16/40/52/564164052.db2.gz YWHAWRZMBJEAJS-UHFFFAOYSA-N 0 0 344.842 4.006 50 0 EIAARN CC(=O)NCCc1ccc(-c2csc(-c3cccc(C)c3)n2)cc1 ZINC000008297527 564164068 /nfs/dbraw/zinc/16/40/68/564164068.db2.gz JRBRZNDVGRHWQN-UHFFFAOYSA-N 0 0 336.460 4.464 50 0 EIAARN O=C1CCCN1c1ccc(-c2csc(NC3CCCC3)n2)cc1 ZINC000008316250 564164227 /nfs/dbraw/zinc/16/42/27/564164227.db2.gz DIVAGMCHXAJOCN-UHFFFAOYSA-N 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c1coc(-c2nnc3c4ccccc4c(Cc4ccccc4)nn23)c1 ZINC000009184231 564170955 /nfs/dbraw/zinc/17/09/55/564170955.db2.gz FIQFCMZQCVIGKN-UHFFFAOYSA-N 0 0 326.359 4.128 50 0 EIAARN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1 ZINC000009196635 564171106 /nfs/dbraw/zinc/17/11/06/564171106.db2.gz MRAZVVDGKKNVKD-UHFFFAOYSA-N 0 0 341.798 4.351 50 0 EIAARN CN(C)C(=O)[C@H](Sc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000009217432 564171405 /nfs/dbraw/zinc/17/14/05/564171405.db2.gz WUPMUZBCHHXGNV-OAHLLOKOSA-N 0 0 345.855 4.138 50 0 EIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cccc3c2CCCC3)c1 ZINC000009220819 564171441 /nfs/dbraw/zinc/17/14/41/564171441.db2.gz MNXWQKMCIDTMEL-CQSZACIVSA-N 0 0 336.435 4.207 50 0 EIAARN Cc1ccc(Sc2ccc(C=C3SC(=O)NC3=O)cc2)cc1 ZINC000009227678 564171491 /nfs/dbraw/zinc/17/14/91/564171491.db2.gz LYZSVJFDDIQDGF-XNTDXEJSSA-N 0 0 327.430 4.470 50 0 EIAARN CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)c1ccccc1 ZINC000009265553 564172072 /nfs/dbraw/zinc/17/20/72/564172072.db2.gz BLOHSFODMQERGK-UHFFFAOYSA-N 0 0 336.391 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Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)C1CCCCC1 ZINC000072314170 1021773580 /nfs/dbraw/zinc/77/35/80/1021773580.db2.gz JYEJMNIYXUSICO-SFHVURJKSA-N 0 0 326.440 4.218 50 0 EIAARN Cc1cnc(-c2ccccc2)n1C[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000581807197 1021877800 /nfs/dbraw/zinc/87/78/00/1021877800.db2.gz KNYUBDDXDRKFSH-KRWDZBQOSA-N 0 0 349.434 4.004 50 0 EIAARN Cc1cc(CC(=O)Nc2ccccc2NCc2ccccc2C)no1 ZINC000180187653 1022200573 /nfs/dbraw/zinc/20/05/73/1022200573.db2.gz GOAPUACRQBCBRD-UHFFFAOYSA-N 0 0 335.407 4.085 50 0 EIAARN Cc1c2ccccc2oc1[C@@H](NCc1cn(C(C)C)nn1)C(C)C ZINC000289701659 1022221547 /nfs/dbraw/zinc/22/15/47/1022221547.db2.gz KQCUPEQQENRGOR-SFHVURJKSA-N 0 0 326.444 4.401 50 0 EIAARN CCc1cccc2c(CC(=O)Nc3cnn([C@H](C)C4CC4)c3)c[nH]c21 ZINC000186460175 1022621985 /nfs/dbraw/zinc/62/19/85/1022621985.db2.gz DXLCYBJWCPTHQR-CYBMUJFWSA-N 0 0 336.439 4.079 50 0 EIAARN C[C@H](C1CC1)n1cc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cn1 ZINC000186477511 1022641739 /nfs/dbraw/zinc/64/17/39/1022641739.db2.gz 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CCN(C(=O)c1cncc(C(F)(F)F)c1)[C@H]1CCCc2cccnc21 ZINC000888093174 1025914520 /nfs/dbraw/zinc/91/45/20/1025914520.db2.gz IQMXGVGQDNHXFJ-HNNXBMFYSA-N 0 0 349.356 4.035 50 0 EIAARN Cc1cccc(Oc2cc(CN[C@H]3CCCn4ccnc43)ccn2)c1C ZINC000888094083 1025934685 /nfs/dbraw/zinc/93/46/85/1025934685.db2.gz GEECUEZBWJCRKQ-SFHVURJKSA-N 0 0 348.450 4.312 50 0 EIAARN CC(C)(C)c1nccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000888100843 1026027636 /nfs/dbraw/zinc/02/76/36/1026027636.db2.gz AQOSXTBWIUZCAY-GHMZBOCLSA-N 0 0 329.366 4.081 50 0 EIAARN CCN(C(C)=O)c1nc(/C=C\c2nc3cc(Cl)ccc3o2)cs1 ZINC000096930356 1026387425 /nfs/dbraw/zinc/38/74/25/1026387425.db2.gz SAFNDYZJTKPPNN-ALCCZGGFSA-N 0 0 347.827 4.481 50 0 EIAARN Cc1noc2ncnc(N[C@@H]3CCCc4cc(OC(F)F)ccc43)c12 ZINC000195511766 1033480052 /nfs/dbraw/zinc/48/00/52/1033480052.db2.gz AUZCKPJDQJHYMF-CYBMUJFWSA-N 0 0 346.337 4.017 50 0 EIAARN CCCCS[C@@H](C)C(=O)N(C)c1nc(-c2ccccn2)cs1 ZINC000585124750 1033632748 /nfs/dbraw/zinc/63/27/48/1033632748.db2.gz 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202018021 /nfs/dbraw/zinc/01/80/21/202018021.db2.gz NYOLMSDLCJIJOJ-HXUWFJFHSA-N 0 0 327.424 4.255 50 0 EIAARN O=C(NCCCOC1CCCCC1)Nc1ccc(OC(F)F)cc1 ZINC000040024033 213251490 /nfs/dbraw/zinc/25/14/90/213251490.db2.gz SCEIHHYNWNYXQI-UHFFFAOYSA-N 0 0 342.386 4.149 50 0 EIAARN CC[C@@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccc(OC)cc1 ZINC000040012139 213250788 /nfs/dbraw/zinc/25/07/88/213250788.db2.gz AEFWAZPKCOPZCO-QGZVFWFLSA-N 0 0 341.386 4.125 50 0 EIAARN Clc1cccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000019832115 202022745 /nfs/dbraw/zinc/02/27/45/202022745.db2.gz TUXMWVHAGDOEHK-UHFFFAOYSA-N 0 0 335.278 4.311 50 0 EIAARN Cc1cccc(-c2nc3n(n2)N=C(c2ccc(Cl)cc2)CS3)c1 ZINC000019910201 202024858 /nfs/dbraw/zinc/02/48/58/202024858.db2.gz YNEFNQOFAVMJGK-UHFFFAOYSA-N 0 0 340.839 4.265 50 0 EIAARN O=C(C[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)OCC(F)(F)F ZINC000019891475 202025824 /nfs/dbraw/zinc/02/58/24/202025824.db2.gz BGYDQZWFJLIUDV-JTQLQIEISA-N 0 0 339.235 4.309 50 0 EIAARN CCCOc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c2ccccc12 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/nfs/dbraw/zinc/28/15/28/202281528.db2.gz VUAXVZSTLQMWHH-GZTJUZNOSA-N 0 0 333.416 4.150 50 0 EIAARN C[C@H](NC(=S)NC(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC000035006543 202283604 /nfs/dbraw/zinc/28/36/04/202283604.db2.gz KKWVPEDVGLWNGA-HHQWOOOKSA-N 0 0 344.867 4.105 50 0 EIAARN CCC(CC)C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399408 202301803 /nfs/dbraw/zinc/30/18/03/202301803.db2.gz PJUDBENFYNWIQR-UHFFFAOYSA-N 0 0 337.467 4.157 50 0 biogenic EIAARN CC[C@H](C)NC(=O)c1nc2ccccc2c(Nc2cccc(C)c2)n1 ZINC000035429645 202302778 /nfs/dbraw/zinc/30/27/78/202302778.db2.gz HPQNJYJOUWPPQM-AWEZNQCLSA-N 0 0 334.423 4.210 50 0 EIAARN Cn1cnc2cc(-c3noc(Cc4c(F)cccc4Cl)n3)ccc21 ZINC000035453299 202303623 /nfs/dbraw/zinc/30/36/23/202303623.db2.gz FWWPCWMIFMVUDR-UHFFFAOYSA-N 0 0 342.761 4.007 50 0 EIAARN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000035476417 202304331 /nfs/dbraw/zinc/30/43/31/202304331.db2.gz KFXXXFWTFYLYGN-IBGZPJMESA-N 0 0 329.465 4.138 50 0 EIAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000035476416 202304395 /nfs/dbraw/zinc/30/43/95/202304395.db2.gz DQKYNJINVZHCDW-GOSISDBHSA-N 0 0 329.465 4.138 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccccc1Cl ZINC000035476552 202304492 /nfs/dbraw/zinc/30/44/92/202304492.db2.gz UXTFZJSPJYFYDB-OAHLLOKOSA-N 0 0 344.798 4.438 50 0 EIAARN Fc1ccc(-c2noc(-c3ccc(NC4CCCCC4)nn3)n2)cc1 ZINC000035479222 202304823 /nfs/dbraw/zinc/30/48/23/202304823.db2.gz JSNMOYFJRJXWPC-UHFFFAOYSA-N 0 0 339.374 4.077 50 0 EIAARN c1cc(-c2cccc(-c3noc(-c4cc5ccccc5[nH]4)n3)c2)n[nH]1 ZINC000035461740 202305062 /nfs/dbraw/zinc/30/50/62/202305062.db2.gz KTVPLQTXNYLXPA-UHFFFAOYSA-N 0 0 327.347 4.275 50 0 EIAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)Nc1ccccc1C ZINC000035536205 202305805 /nfs/dbraw/zinc/30/58/05/202305805.db2.gz VGUTVVQXNYDJMF-UHFFFAOYSA-N 0 0 328.318 4.489 50 0 EIAARN Cc1ccc(C(=O)N[C@H](C)c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000035522245 202306420 /nfs/dbraw/zinc/30/64/20/202306420.db2.gz JSRWMIAFYBEZHN-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN CCOCCCNC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000035561731 202306731 /nfs/dbraw/zinc/30/67/31/202306731.db2.gz RONHMAVPGQDEBI-QGZVFWFLSA-N 0 0 338.879 4.393 50 0 EIAARN Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3cnccn32)c1 ZINC000035616188 202306949 /nfs/dbraw/zinc/30/69/49/202306949.db2.gz PEGDOLMMQPKPJL-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN Clc1cccc(Cl)c1COc1cccc(CNc2nc[nH]n2)c1 ZINC000035287347 202294004 /nfs/dbraw/zinc/29/40/04/202294004.db2.gz ZXURUAFDDMXOAQ-UHFFFAOYSA-N 0 0 349.221 4.303 50 0 EIAARN CCOc1ccc2c(C)c(C(=O)Nc3cccc(OC)c3)oc2c1 ZINC000035686277 202308693 /nfs/dbraw/zinc/30/86/93/202308693.db2.gz OYEVMIVRANAZGV-UHFFFAOYSA-N 0 0 325.364 4.401 50 0 EIAARN O=C(c1cccc(F)c1)N1CCn2cccc2[C@H]1c1ccccc1F ZINC000035818504 202311183 /nfs/dbraw/zinc/31/11/83/202311183.db2.gz NKUXZJPJAUWBHU-LJQANCHMSA-N 0 0 338.357 4.012 50 0 EIAARN CCc1nc2c(cnn2-c2ccccc2Cl)c(N[C@@H](C)CC)n1 ZINC000035990142 202311338 /nfs/dbraw/zinc/31/13/38/202311338.db2.gz XKFFKKNPRVFCQI-NSHDSACASA-N 0 0 329.835 4.242 50 0 EIAARN CCCNC(=O)N(Cc1cc(-c2ccc(C)cc2C)on1)C(C)C ZINC000036012703 202311512 /nfs/dbraw/zinc/31/15/12/202311512.db2.gz JOMUBKKRHYFBQR-UHFFFAOYSA-N 0 0 329.444 4.288 50 0 EIAARN CCCN(Cc1cc(-c2ccccc2OC)on1)C(=O)C1CCCC1 ZINC000036004705 202311805 /nfs/dbraw/zinc/31/18/05/202311805.db2.gz DXYRQRXUYTXORN-UHFFFAOYSA-N 0 0 342.439 4.279 50 0 EIAARN CC(=O)N(Cc1csc(COc2ccc(C)cc2)n1)CC(C)C ZINC000036114627 202316793 /nfs/dbraw/zinc/31/67/93/202316793.db2.gz QICNTESRXJVEQX-UHFFFAOYSA-N 0 0 332.469 4.035 50 0 EIAARN COc1cccc(-c2cncc(C(=O)N(C)Cc3ccccc3)c2)c1 ZINC000036346998 202321345 /nfs/dbraw/zinc/32/13/45/202321345.db2.gz FTIPMESEWAMDDS-UHFFFAOYSA-N 0 0 332.403 4.029 50 0 EIAARN Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000036315774 202321402 /nfs/dbraw/zinc/32/14/02/202321402.db2.gz XUOOMTOWEQNJMO-SFHVURJKSA-N 0 0 342.414 4.347 50 0 EIAARN O=C1C[C@@H](c2cccc(F)c2F)c2ncn(-c3ccccc3F)c2N1 ZINC000036359222 202322899 /nfs/dbraw/zinc/32/28/99/202322899.db2.gz NRSBFTYTDIWQAZ-NSHDSACASA-N 0 0 343.308 4.413 50 0 EIAARN Cc1ccc(C(=O)c2ccc(I)cc2)cc1C ZINC000036941452 202335007 /nfs/dbraw/zinc/33/50/07/202335007.db2.gz VQSFTZAFFJMYIL-UHFFFAOYSA-N 0 0 336.172 4.139 50 0 EIAARN Cc1cc(CNC(=O)NC(c2ccccc2)c2ccccc2)c(C)o1 ZINC000070640555 202336784 /nfs/dbraw/zinc/33/67/84/202336784.db2.gz FHHXWVIFEFAESS-UHFFFAOYSA-N 0 0 334.419 4.485 50 0 EIAARN CC(C)(CNC(=O)C[C@@H]1C=CCC1)c1ccc(Br)cc1 ZINC000036394015 202324649 /nfs/dbraw/zinc/32/46/49/202324649.db2.gz AFIWGSDYIXVLPQ-CYBMUJFWSA-N 0 0 336.273 4.199 50 0 EIAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000036390512 202324798 /nfs/dbraw/zinc/32/47/98/202324798.db2.gz SDDYUTYBFAEAHK-ACJLOTCBSA-N 0 0 325.408 4.151 50 0 EIAARN COc1ccc(CNc2cc(C(F)(F)F)nc3ccccc32)cn1 ZINC000036396185 202325395 /nfs/dbraw/zinc/32/53/95/202325395.db2.gz CFDUXSUQCBRVNR-UHFFFAOYSA-N 0 0 333.313 4.269 50 0 EIAARN CNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(C)cc3)c21 ZINC000036618478 202326798 /nfs/dbraw/zinc/32/67/98/202326798.db2.gz CPMIHPHSYGYVBV-UHFFFAOYSA-N 0 0 343.386 4.225 50 0 EIAARN COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000036620640 202327247 /nfs/dbraw/zinc/32/72/47/202327247.db2.gz DVKDINLVDPTAOK-SFHVURJKSA-N 0 0 338.407 4.151 50 0 EIAARN COc1cc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc(OC)c1 ZINC000036620490 202327526 /nfs/dbraw/zinc/32/75/26/202327526.db2.gz DLDNFCCPEXOJHR-LJQANCHMSA-N 0 0 340.423 4.381 50 0 EIAARN CNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c21 ZINC000036618446 202327578 /nfs/dbraw/zinc/32/75/78/202327578.db2.gz BXWYIPFIIWNSIN-UHFFFAOYSA-N 0 0 347.349 4.056 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl ZINC000036620613 202327593 /nfs/dbraw/zinc/32/75/93/202327593.db2.gz IICJGEWYENTLHA-INIZCTEOSA-N 0 0 335.856 4.174 50 0 EIAARN COc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000030840588 212710888 /nfs/dbraw/zinc/71/08/88/212710888.db2.gz CJVRIUAJBJOLPT-JXFKEZNVSA-N 0 0 339.435 4.135 50 0 EIAARN O=C(NCc1ccccn1)c1cc2sccc2n1Cc1ccccc1 ZINC000037526018 202345158 /nfs/dbraw/zinc/34/51/58/202345158.db2.gz UYXHAMBOIUEPHE-UHFFFAOYSA-N 0 0 347.443 4.076 50 0 EIAARN O=C(OC1CCCC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000072273133 216097324 /nfs/dbraw/zinc/09/73/24/216097324.db2.gz WLEAJXAGTUAKPC-FQEVSTJZSA-N 0 0 334.419 4.480 50 0 EIAARN COc1ccccc1Oc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000072265316 202359552 /nfs/dbraw/zinc/35/95/52/202359552.db2.gz JXBGUDVAIUJGHU-ZIAGYGMSSA-N 0 0 329.396 4.199 50 0 EIAARN Cc1csc([C@H]2CCCCN2C(=O)CCOCc2ccccc2)n1 ZINC000072273868 202361773 /nfs/dbraw/zinc/36/17/73/202361773.db2.gz UKMQLSKYSYVXJI-QGZVFWFLSA-N 0 0 344.480 4.112 50 0 EIAARN CC(C)c1csc([C@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 ZINC000072297220 202363052 /nfs/dbraw/zinc/36/30/52/202363052.db2.gz FXBLWXYKIVVINK-NSHDSACASA-N 0 0 337.876 4.268 50 0 EIAARN CC(C)Oc1cccc(CC(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000072285872 202363118 /nfs/dbraw/zinc/36/31/18/202363118.db2.gz YALZKQKOQOPQEH-KRWDZBQOSA-N 0 0 344.480 4.227 50 0 EIAARN O=C(N[C@H](c1nccs1)C1CC1)N(Cc1cccs1)C1CC1 ZINC000074707815 202373216 /nfs/dbraw/zinc/37/32/16/202373216.db2.gz AFLXUQPBVAEYCL-AWEZNQCLSA-N 0 0 333.482 4.030 50 0 EIAARN O=C(c1ccc(Br)o1)N1CCC(c2ccsc2)CC1 ZINC000075157139 202376239 /nfs/dbraw/zinc/37/62/39/202376239.db2.gz SALSSSKHBQJOJJ-UHFFFAOYSA-N 0 0 340.242 4.123 50 0 EIAARN C[C@](O)(CNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000075155371 202376463 /nfs/dbraw/zinc/37/64/63/202376463.db2.gz JXCPSRVCILRUTK-FQEVSTJZSA-N 0 0 337.444 4.053 50 0 EIAARN O=C(c1nc2ccccc2s1)N1CCC(c2ccsc2)CC1 ZINC000075157121 202376667 /nfs/dbraw/zinc/37/66/67/202376667.db2.gz PUIGHUUXGVPMIY-UHFFFAOYSA-N 0 0 328.462 4.378 50 0 EIAARN C[C@](O)(CNC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000075155397 202376868 /nfs/dbraw/zinc/37/68/68/202376868.db2.gz BGZRVESDVJYRQL-QFIPXVFZSA-N 0 0 346.430 4.383 50 0 EIAARN CN(C(=O)C[C@@H]1C=CCC1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000078509910 202396108 /nfs/dbraw/zinc/39/61/08/202396108.db2.gz KIKASDIMWZUVLS-VLIAUNLRSA-N 0 0 342.389 4.264 50 0 EIAARN O=C(c1ccccc1Br)c1ccccc1Br ZINC000038883864 202409900 /nfs/dbraw/zinc/40/99/00/202409900.db2.gz JCVYQVHAGOZGIX-UHFFFAOYSA-N 0 0 340.014 4.443 50 0 EIAARN COC(=O)c1cc(Nc2ccc(F)c(F)c2)c2cccc(C)c2n1 ZINC000038487137 202402231 /nfs/dbraw/zinc/40/22/31/202402231.db2.gz WFINIIAXAXDPTH-UHFFFAOYSA-N 0 0 328.318 4.352 50 0 EIAARN CCCCCN(Cc1ccc(Cl)cc1)C(=O)Nc1nncs1 ZINC000040095165 202423346 /nfs/dbraw/zinc/42/33/46/202423346.db2.gz AJRZIQWVCZBBNS-UHFFFAOYSA-N 0 0 338.864 4.416 50 0 EIAARN Cc1ccsc1C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000040108456 202423354 /nfs/dbraw/zinc/42/33/54/202423354.db2.gz QROCXYQPLQAZQU-NSHDSACASA-N 0 0 338.270 4.180 50 0 EIAARN CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(CSC)c2)c1 ZINC000040106898 202423489 /nfs/dbraw/zinc/42/34/89/202423489.db2.gz XOLBGVXSQAQXJB-UHFFFAOYSA-N 0 0 342.464 4.459 50 0 EIAARN Cc1ccsc1C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000040108457 202423516 /nfs/dbraw/zinc/42/35/16/202423516.db2.gz QROCXYQPLQAZQU-LLVKDONJSA-N 0 0 338.270 4.180 50 0 EIAARN Cc1ccccc1C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000040108475 202423621 /nfs/dbraw/zinc/42/36/21/202423621.db2.gz ZIPDKQNJBURFJB-CYBMUJFWSA-N 0 0 332.241 4.119 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000040526677 202448384 /nfs/dbraw/zinc/44/83/84/202448384.db2.gz MZKDMMWDAAOYDV-ZDUSSCGKSA-N 0 0 341.377 4.093 50 0 EIAARN CCOC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1C(F)(F)F ZINC000040566572 202453177 /nfs/dbraw/zinc/45/31/77/202453177.db2.gz LYTSKLUKUQXMGW-NSHDSACASA-N 0 0 341.112 4.263 50 0 EIAARN CC[C@@H](OC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1 ZINC000000316215 209533168 /nfs/dbraw/zinc/53/31/68/209533168.db2.gz QZWJOUIFGGVWEF-OAHLLOKOSA-N 0 0 347.208 4.267 50 0 EIAARN C[C@@H](Sc1ncnc2sccc21)c1nc(-c2ccco2)no1 ZINC000029738662 212679529 /nfs/dbraw/zinc/67/95/29/212679529.db2.gz WZKOUHMYYNZULT-MRVPVSSYSA-N 0 0 330.394 4.188 50 0 EIAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000028250424 212612138 /nfs/dbraw/zinc/61/21/38/212612138.db2.gz RVDVFURWSDVVJH-LLVKDONJSA-N 0 0 345.468 4.119 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2ccc(C)n2)cc1 ZINC000028219738 212603833 /nfs/dbraw/zinc/60/38/33/212603833.db2.gz FRWSJBICTCSECD-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F ZINC000026295555 201052949 /nfs/dbraw/zinc/05/29/49/201052949.db2.gz LMHGMIDPLUOYBX-TUAOUCFPSA-N 0 0 332.341 4.307 50 0 EIAARN CNC(=O)c1ccc(Cl)c(NCc2ncc(-c3cccs3)o2)c1 ZINC000072912258 216327067 /nfs/dbraw/zinc/32/70/67/216327067.db2.gz MNJSTJNGJLNCTN-UHFFFAOYSA-N 0 0 347.827 4.028 50 0 EIAARN COC(=O)c1cc(-c2ccc(C)cc2)nc2cc(-c3ccccc3)nn21 ZINC000013645491 202503898 /nfs/dbraw/zinc/50/38/98/202503898.db2.gz COJFDMSINMAWPZ-UHFFFAOYSA-N 0 0 343.386 4.158 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 ZINC000002838706 201358932 /nfs/dbraw/zinc/35/89/32/201358932.db2.gz VGYFMAGLCPMKGR-UHFFFAOYSA-N 0 0 343.448 4.293 50 0 EIAARN CCCc1ccc(Oc2coc3cc(OC(C)=O)ccc3c2=O)cc1 ZINC000003898230 201360109 /nfs/dbraw/zinc/36/01/09/201360109.db2.gz CJOKWYXSBVVMHL-UHFFFAOYSA-N 0 0 338.359 4.463 50 0 biogenic EIAARN O=C(/C=C\c1ccccn1)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000096179386 201374961 /nfs/dbraw/zinc/37/49/61/201374961.db2.gz HOMPEIFTROWQDP-XFXZXTDPSA-N 0 0 349.821 4.377 50 0 EIAARN O=C(/C=C\c1c(Cl)nc2ccccn21)OC/C=C\c1ccccc1 ZINC000096297577 201375568 /nfs/dbraw/zinc/37/55/68/201375568.db2.gz RRARWCDXKQINRF-KTXOSSPPSA-N 0 0 338.794 4.258 50 0 EIAARN COc1ccc(/C=C\C(=O)N2CCCCC[C@H]2c2cccn2C)cc1 ZINC000096305334 201376668 /nfs/dbraw/zinc/37/66/68/201376668.db2.gz NVARFQHFWMZIEC-QKQONQEDSA-N 0 0 338.451 4.191 50 0 EIAARN CC(C)(C)CC(C)(C)NC(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000096401489 201376826 /nfs/dbraw/zinc/37/68/26/201376826.db2.gz BMQARQWOTPQTEX-SREVYHEPSA-N 0 0 339.892 4.393 50 0 EIAARN Cc1nc(C)c(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)s1 ZINC000044869422 202528802 /nfs/dbraw/zinc/52/88/02/202528802.db2.gz NHRABBPZDHGAJJ-SNVBAGLBSA-N 0 0 331.466 4.203 50 0 EIAARN CCc1ccc(NC(=O)NCc2ccc(Br)cc2)cc1 ZINC000044845413 202529195 /nfs/dbraw/zinc/52/91/95/202529195.db2.gz QUNXMGQIGIQIJD-UHFFFAOYSA-N 0 0 333.229 4.333 50 0 EIAARN C[C@H](C(=O)N1CCC[C@H]1c1ccsc1)n1cnc2ccccc21 ZINC000044943626 202537901 /nfs/dbraw/zinc/53/79/01/202537901.db2.gz GTIYKSVVRWNTRE-CJNGLKHVSA-N 0 0 325.437 4.023 50 0 EIAARN CCN(C(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C)cc1C ZINC000045510801 202552925 /nfs/dbraw/zinc/55/29/25/202552925.db2.gz BBUNKPLKJDQIJU-UHFFFAOYSA-N 0 0 336.435 4.097 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000048276446 202597918 /nfs/dbraw/zinc/59/79/18/202597918.db2.gz GLIWKLGNCXANBO-INIZCTEOSA-N 0 0 328.481 4.422 50 0 EIAARN FC(F)Oc1ccccc1-c1nc2c[nH]n(Cc3cccs3)c-2n1 ZINC000048488444 202607713 /nfs/dbraw/zinc/60/77/13/202607713.db2.gz BWQMGWQMZUVXOT-UHFFFAOYSA-N 0 0 346.362 4.138 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000051354293 202639264 /nfs/dbraw/zinc/63/92/64/202639264.db2.gz YRGLBYFSDMQLGB-UHFFFAOYSA-N 0 0 336.750 4.300 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C)c3)n[nH]2)cc1 ZINC000051315506 202639387 /nfs/dbraw/zinc/63/93/87/202639387.db2.gz UXAHKCOPWCJDIE-UHFFFAOYSA-N 0 0 339.370 4.175 50 0 EIAARN Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 ZINC000051364419 202640482 /nfs/dbraw/zinc/64/04/82/202640482.db2.gz FJBOOSCFBFRCFM-GOSISDBHSA-N 0 0 344.414 4.154 50 0 EIAARN CCc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)sc1C ZINC000023981379 212401555 /nfs/dbraw/zinc/40/15/55/212401555.db2.gz WKDOSCVFEXZHEX-INIZCTEOSA-N 0 0 346.496 4.169 50 0 EIAARN CCN1CCc2nc3ccccc3c(C(=O)Oc3cccc(C)c3)c2C1 ZINC000023990092 212401364 /nfs/dbraw/zinc/40/13/64/212401364.db2.gz BNHDAGZTRNXOKX-UHFFFAOYSA-N 0 0 346.430 4.140 50 0 EIAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCSCC1 ZINC000055108097 202679315 /nfs/dbraw/zinc/67/93/15/202679315.db2.gz OEQIMLYFYXJRFY-UHFFFAOYSA-N 0 0 342.386 4.218 50 0 EIAARN O=C(Nc1ccncc1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000058166136 202740012 /nfs/dbraw/zinc/74/00/12/202740012.db2.gz XOGSGPOCFYFMIC-MRXNPFEDSA-N 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MDJWGGDYBHJRSO-UHFFFAOYSA-N 0 0 330.387 4.061 50 0 EIAARN O=C1C=C(c2ccc(Br)cc2)O[C@H](c2ccccc2)O1 ZINC000000053787 201427874 /nfs/dbraw/zinc/42/78/74/201427874.db2.gz GPKBEKRGAMITFW-INIZCTEOSA-N 0 0 331.165 4.062 50 0 EIAARN O=C(NCCc1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000000067892 201428623 /nfs/dbraw/zinc/42/86/23/201428623.db2.gz GXJBSTGPKOHKEC-UHFFFAOYSA-N 0 0 329.399 4.283 50 0 EIAARN CCCCc1noc(CSc2nnc(Nc3ccccc3)s2)n1 ZINC000022761872 212320852 /nfs/dbraw/zinc/32/08/52/212320852.db2.gz FIFDWARXHMQFAY-UHFFFAOYSA-N 0 0 347.469 4.300 50 0 EIAARN CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000022512239 212303495 /nfs/dbraw/zinc/30/34/95/212303495.db2.gz OKRDGRNNYDBZNS-ZDUSSCGKSA-N 0 0 334.485 4.066 50 0 EIAARN Cc1ccc(-c2nnc3c4c5c(sc4ncn32)C[C@@H](C)CC5)cc1 ZINC000000098594 201434318 /nfs/dbraw/zinc/43/43/18/201434318.db2.gz VIJRHHOOSJBKKL-LBPRGKRZSA-N 0 0 334.448 4.439 50 0 EIAARN O=C1CS[C@@H](c2cccnc2)N1Cc1ccc(Cl)c(Cl)c1 ZINC000000099731 201434438 /nfs/dbraw/zinc/43/44/38/201434438.db2.gz KJLIFMTXEHSVSU-HNNXBMFYSA-N 0 0 339.247 4.163 50 0 EIAARN CC(C)CCSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000000102961 201435523 /nfs/dbraw/zinc/43/55/23/201435523.db2.gz VBBAEKFILYUUPW-UHFFFAOYSA-N 0 0 337.514 4.263 50 0 EIAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(C)(C)C ZINC000000110835 201436181 /nfs/dbraw/zinc/43/61/81/201436181.db2.gz SBTKWHXVACVNHK-UHFFFAOYSA-N 0 0 327.211 4.485 50 0 EIAARN Cn1c(SCc2ccc(C(F)(F)F)cc2)nnc1C(F)(F)F ZINC000000120499 201437084 /nfs/dbraw/zinc/43/70/84/201437084.db2.gz BYYUASHXMXINDH-UHFFFAOYSA-N 0 0 341.280 4.145 50 0 EIAARN CCN(CC)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000000129278 201437666 /nfs/dbraw/zinc/43/76/66/201437666.db2.gz OEYLSEZQOYVEAA-UHFFFAOYSA-N 0 0 326.440 4.167 50 0 EIAARN Cc1cc(C(=O)COc2cccc(C)c2C)c(C)n1-c1nccs1 ZINC000022317850 212290160 /nfs/dbraw/zinc/29/01/60/212290160.db2.gz LGAAOHJKVAPJTH-UHFFFAOYSA-N 0 0 340.448 4.429 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1 ZINC000000127559 201438507 /nfs/dbraw/zinc/43/85/07/201438507.db2.gz QPUMHSLZOIAHJM-UHFFFAOYSA-N 0 0 337.794 4.233 50 0 EIAARN COc1cccc(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000000149575 201440875 /nfs/dbraw/zinc/44/08/75/201440875.db2.gz SJSIPGWZWDTJIE-UHFFFAOYSA-N 0 0 347.370 4.167 50 0 EIAARN c1ccc(Oc2ccccc2CSc2nc3ncccn3n2)cc1 ZINC000022133244 212279081 /nfs/dbraw/zinc/27/90/81/212279081.db2.gz SYLCCAJNWIRXEE-UHFFFAOYSA-N 0 0 334.404 4.209 50 0 EIAARN Cc1cccc(NC(=O)c2cc(Br)ccc2Cl)n1 ZINC000000170999 201443623 /nfs/dbraw/zinc/44/36/23/201443623.db2.gz MROOCPRUJXUUFJ-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCCC1 ZINC000000217683 201449955 /nfs/dbraw/zinc/44/99/55/201449955.db2.gz ZWLAIFCCUFFFGD-MGPUTAFESA-N 0 0 348.446 4.004 50 0 EIAARN C[Si](C)(C)c1c(Cl)ccc(I)c1Cl ZINC000195960781 241035997 /nfs/dbraw/zinc/03/59/97/241035997.db2.gz QOIATCPNZQOQDM-UHFFFAOYSA-N 0 0 345.083 4.143 50 0 EIAARN C[C@H](c1ccon1)N(C)Cc1ccc(-c2nc3ccccc3n2C)o1 ZINC000215298119 241117766 /nfs/dbraw/zinc/11/77/66/241117766.db2.gz SACBPZJKWCYLIK-CYBMUJFWSA-N 0 0 336.395 4.014 50 0 EIAARN CC[C@@H](C(=O)NC[C@H](OC)c1ccccc1Cl)c1ccccc1 ZINC000206849753 241054672 /nfs/dbraw/zinc/05/46/72/241054672.db2.gz ZEGAVYWLAAXUGM-QAPCUYQASA-N 0 0 331.843 4.338 50 0 EIAARN Fc1cccc(-n2cc(CN3CCCC[C@@H]3c3ccccn3)cn2)c1 ZINC000216214054 241174198 /nfs/dbraw/zinc/17/41/98/241174198.db2.gz DXVCBDPUEOZWRP-HXUWFJFHSA-N 0 0 336.414 4.134 50 0 EIAARN Cc1c2cccc(F)c2[nH]c1C(=O)N(C)CCSc1ccccc1 ZINC000216249385 241178952 /nfs/dbraw/zinc/17/89/52/241178952.db2.gz KWUOUQPWMBENFI-UHFFFAOYSA-N 0 0 342.439 4.480 50 0 EIAARN O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000000324841 201460799 /nfs/dbraw/zinc/46/07/99/201460799.db2.gz WMEZZVONCBUCOG-UHFFFAOYSA-N 0 0 348.406 4.148 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000357714 201463383 /nfs/dbraw/zinc/46/33/83/201463383.db2.gz JTOMTWQXFVRZHN-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000000358084 201463520 /nfs/dbraw/zinc/46/35/20/201463520.db2.gz OVJLLNJDEXZVSC-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1 ZINC000000359503 201463751 /nfs/dbraw/zinc/46/37/51/201463751.db2.gz CYCHTDHNDOYAEE-UHFFFAOYSA-N 0 0 347.871 4.159 50 0 EIAARN Cc1ccc(-c2nnc3sc(Cc4cccc(Cl)c4)nn32)cc1 ZINC000000385047 201467085 /nfs/dbraw/zinc/46/70/85/201467085.db2.gz JCTKILZAVAZJTI-UHFFFAOYSA-N 0 0 340.839 4.405 50 0 EIAARN O=C1N[C@@H](Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1 ZINC000000404183 201468322 /nfs/dbraw/zinc/46/83/22/201468322.db2.gz XVHANMSUSBZRCX-FQEVSTJZSA-N 0 0 329.399 4.281 50 0 EIAARN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)o2)cc1 ZINC000000422893 201469402 /nfs/dbraw/zinc/46/94/02/201469402.db2.gz HIKKJJRCQYBFQB-ZDUSSCGKSA-N 0 0 339.420 4.164 50 0 EIAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)o2)cc1 ZINC000000422894 201470051 /nfs/dbraw/zinc/47/00/51/201470051.db2.gz HIKKJJRCQYBFQB-CYBMUJFWSA-N 0 0 339.420 4.164 50 0 EIAARN COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 ZINC000000425667 201471104 /nfs/dbraw/zinc/47/11/04/201471104.db2.gz ICJUHGIZVBAOAC-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN O=C(NCCn1ccc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000000427862 201472013 /nfs/dbraw/zinc/47/20/13/201472013.db2.gz BAEROVIGNORDBZ-UHFFFAOYSA-N 0 0 332.325 4.090 50 0 EIAARN Cc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000000430362 201472918 /nfs/dbraw/zinc/47/29/18/201472918.db2.gz PXMYMSKBGFJVEF-GDNBJRDFSA-N 0 0 342.192 4.102 50 0 EIAARN O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1ccccc1F ZINC000000431082 201472965 /nfs/dbraw/zinc/47/29/65/201472965.db2.gz FMCPNHYUOMXXBV-RWZRJOGJSA-N 0 0 327.742 4.489 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(Br)cc2)c(C)c1 ZINC000000442148 201473405 /nfs/dbraw/zinc/47/34/05/201473405.db2.gz VYRMFLIPPMASBB-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN O=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1ccccc1 ZINC000000281522 201456941 /nfs/dbraw/zinc/45/69/41/201456941.db2.gz CGCJZUJUINYSFD-UHFFFAOYSA-N 0 0 341.407 4.221 50 0 EIAARN NC(=O)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000282316 201457336 /nfs/dbraw/zinc/45/73/36/201457336.db2.gz GPYPKGJDNITRCU-LJQANCHMSA-N 0 0 337.467 4.461 50 0 EIAARN CN(C)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000000284870 201457489 /nfs/dbraw/zinc/45/74/89/201457489.db2.gz AREOYTABIWTLEZ-UHFFFAOYSA-N 0 0 330.431 4.272 50 0 EIAARN COc1cccc(-c2nnc3sc(-c4cccc(Cl)c4)nn32)c1 ZINC000000530893 201483334 /nfs/dbraw/zinc/48/33/34/201483334.db2.gz XAXHSECGAJTDKN-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC[C@H]3CCCO3)c2c1 ZINC000000547613 201485775 /nfs/dbraw/zinc/48/57/75/201485775.db2.gz DYAWXBSPKHQLMT-QGZVFWFLSA-N 0 0 346.430 4.119 50 0 EIAARN Cc1ccc([C@]2(CC(=O)N3CCCC3)CCO[C@@H](C(C)C)C2)cc1 ZINC000000554069 201486414 /nfs/dbraw/zinc/48/64/14/201486414.db2.gz YAWLRKLUJJGWHP-TZIWHRDSSA-N 0 0 329.484 4.080 50 0 EIAARN COc1cccc(OC)c1C(=O)Nc1nc2c(cccc2Cl)s1 ZINC000000558566 201488196 /nfs/dbraw/zinc/48/81/96/201488196.db2.gz AANYNSHQFZALLP-UHFFFAOYSA-N 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CCN(C(=O)NCc1ccc(OC(C)C)cc1)[C@@H](C)c1cccnc1 ZINC000076016530 203331246 /nfs/dbraw/zinc/33/12/46/203331246.db2.gz BUEQERKXBOERGC-INIZCTEOSA-N 0 0 341.455 4.162 50 0 EIAARN C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc(Br)c2)C1 ZINC000076068611 203335423 /nfs/dbraw/zinc/33/54/23/203335423.db2.gz NKNXCEKASUYWFY-RYUDHWBXSA-N 0 0 325.250 4.492 50 0 EIAARN C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(Br)c2)C1 ZINC000076068615 203335578 /nfs/dbraw/zinc/33/55/78/203335578.db2.gz NKNXCEKASUYWFY-VXGBXAGGSA-N 0 0 325.250 4.492 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCOc2ccccc21 ZINC000076764240 203364056 /nfs/dbraw/zinc/36/40/56/203364056.db2.gz KRYCAVMCRNWSSG-OAHLLOKOSA-N 0 0 336.416 4.315 50 0 EIAARN O=C(Cc1cccc(Cl)c1)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000077300674 203377855 /nfs/dbraw/zinc/37/78/55/203377855.db2.gz ZZHGZBRIEAETFY-QGZVFWFLSA-N 0 0 341.838 4.004 50 0 EIAARN Cc1cc(C(=O)N(C)[C@@H](C)c2cncs2)c2ccc(C)c(C)c2n1 ZINC000077299346 203378105 /nfs/dbraw/zinc/37/81/05/203378105.db2.gz FKCKNAHNCSDVLW-AWEZNQCLSA-N 0 0 339.464 4.450 50 0 EIAARN COc1cc2c(cc1CN1CCC[C@@H]1c1nc(C(C)C)no1)CCC2 ZINC000077322006 203380262 /nfs/dbraw/zinc/38/02/62/203380262.db2.gz AQGRQZSUNRNEID-QGZVFWFLSA-N 0 0 341.455 4.027 50 0 EIAARN O=C(NCC1CC1)c1ccc2[nH]nc(-c3cccc(Cl)c3)c2c1 ZINC000019772441 212064881 /nfs/dbraw/zinc/06/48/81/212064881.db2.gz YXYFNDCLTVCHAY-UHFFFAOYSA-N 0 0 325.799 4.023 50 0 EIAARN Cc1cncc(C(=O)N2CCC(Sc3ccccc3C)CC2)c1 ZINC000077406602 203385828 /nfs/dbraw/zinc/38/58/28/203385828.db2.gz QZBMTWHNRICGAG-UHFFFAOYSA-N 0 0 326.465 4.095 50 0 EIAARN Cc1cccc([C@@H]2CCCN(C(=O)c3c[nH]nc3-c3ccccc3)C2)c1 ZINC000077407483 203387358 /nfs/dbraw/zinc/38/73/58/203387358.db2.gz BCSHRHVTZZUDGR-LJQANCHMSA-N 0 0 345.446 4.405 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)cs1 ZINC000077439292 203388446 /nfs/dbraw/zinc/38/84/46/203388446.db2.gz TUYQMVOQXGRJLU-MRXNPFEDSA-N 0 0 325.437 4.219 50 0 EIAARN CN(Cc1cccc2ncccc12)C(=O)Cc1ccc(F)cc1Cl ZINC000077439457 203388694 /nfs/dbraw/zinc/38/86/94/203388694.db2.gz STYNBILAEVRNAW-UHFFFAOYSA-N 0 0 342.801 4.228 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2cc(C)nc3c(C)cc(C)cc23)on1 ZINC000077456168 203389122 /nfs/dbraw/zinc/38/91/22/203389122.db2.gz GOGOTJVUDGRASR-GOSISDBHSA-N 0 0 349.434 4.434 50 0 EIAARN Cc1nc(Cn2ccnc2-c2ccc(SC3CCCCC3)o2)no1 ZINC000077504385 203392465 /nfs/dbraw/zinc/39/24/65/203392465.db2.gz BINNVPBMTCLABK-UHFFFAOYSA-N 0 0 344.440 4.308 50 0 EIAARN Cc1csc(CCCn2ccnc2-c2cccc3ncccc32)n1 ZINC000077536229 203393478 /nfs/dbraw/zinc/39/34/78/203393478.db2.gz NVLUKOCHGOHMPP-UHFFFAOYSA-N 0 0 334.448 4.496 50 0 EIAARN Cc1c2cccc(F)c2oc1C(=O)N(C)[C@H](c1ccccn1)C1CC1 ZINC000077535063 203394158 /nfs/dbraw/zinc/39/41/58/203394158.db2.gz YKPIYNNBMLCTIK-KRWDZBQOSA-N 0 0 338.382 4.499 50 0 EIAARN CC(C)n1ncc2c1NC(=O)CS[C@H]2c1ccc2ncccc2c1 ZINC000079480436 203444715 /nfs/dbraw/zinc/44/47/15/203444715.db2.gz QOAMAVIIXGJDKL-KRWDZBQOSA-N 0 0 338.436 4.436 50 0 EIAARN COc1cc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)on1 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CCc1ccccc1OC1CN(C(=O)c2sc(C(C)C)nc2C)C1 ZINC000092045629 203664119 /nfs/dbraw/zinc/66/41/19/203664119.db2.gz GBSZGJBVTJCJAX-UHFFFAOYSA-N 0 0 344.480 4.041 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(Br)ccc1F ZINC000019506986 212034918 /nfs/dbraw/zinc/03/49/18/212034918.db2.gz DDOZTLKWCLEZEI-SNVBAGLBSA-N 0 0 334.188 4.180 50 0 EIAARN NC(=O)Nc1cccc2c1CCCN2Cc1ccccc1C(F)(F)F ZINC000095434268 203741125 /nfs/dbraw/zinc/74/11/25/203741125.db2.gz VXBWKDHZNBGYFU-UHFFFAOYSA-N 0 0 349.356 4.149 50 0 EIAARN C[C@H](c1ccon1)N(C)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000095521346 203754653 /nfs/dbraw/zinc/75/46/53/203754653.db2.gz NQWPYTJXXSKEIT-CYBMUJFWSA-N 0 0 329.400 4.221 50 0 EIAARN Clc1ccc(Cc2noc(C[C@@H]3OCCc4ccccc43)n2)cc1 ZINC000095959828 203776237 /nfs/dbraw/zinc/77/62/37/203776237.db2.gz SKGWEVWSSKYVLW-KRWDZBQOSA-N 0 0 340.810 4.170 50 0 EIAARN CC[C@@H](C)N(C)C(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000095962988 203777157 /nfs/dbraw/zinc/77/71/57/203777157.db2.gz ZKYUXADZMICNIX-LLVKDONJSA-N 0 0 328.250 4.107 50 0 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4.127 50 0 EIAARN Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102593052 204041918 /nfs/dbraw/zinc/04/19/18/204041918.db2.gz TTZPHNFNLGIKKS-HDICACEKSA-N 0 0 333.387 4.243 50 0 EIAARN Clc1ccc([C@@H]2CC(c3ccco3)=Nc3ncnn32)c(Cl)c1 ZINC000100835126 203998910 /nfs/dbraw/zinc/99/89/10/203998910.db2.gz BPVDODLDYWEWQW-ZDUSSCGKSA-N 0 0 333.178 4.234 50 0 EIAARN Cc1c(C)n(C2CCCCC2)c2ncn(Cc3ccccc3)c(=N)c12 ZINC000101467798 204007520 /nfs/dbraw/zinc/00/75/20/204007520.db2.gz ILHVBOUORUZLNH-UHFFFAOYSA-N 0 0 334.467 4.488 50 0 EIAARN Cc1ccsc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2ncnn21 ZINC000102794255 204050274 /nfs/dbraw/zinc/05/02/74/204050274.db2.gz POSUJGRMEKCMJR-CQSZACIVSA-N 0 0 328.828 4.357 50 0 EIAARN Cc1cn(-c2ccccc2)nc1NC(=O)c1cc(Cl)ccc1F ZINC000106714995 204208542 /nfs/dbraw/zinc/20/85/42/204208542.db2.gz JSMTVYPYYZODOO-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN Cc1cc(OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1C ZINC000107079408 204225763 /nfs/dbraw/zinc/22/57/63/204225763.db2.gz JTXUTDHHAAGSTJ-UHFFFAOYSA-N 0 0 338.407 4.211 50 0 EIAARN Cc1ccsc1CNC(=O)Nc1ccc(Br)cc1 ZINC000043133827 204220253 /nfs/dbraw/zinc/22/02/53/204220253.db2.gz IOCNBPGBUNVXCF-UHFFFAOYSA-N 0 0 325.231 4.141 50 0 EIAARN S=c1[nH]c(-c2cccs2)nn1CN(Cc1cccs1)C1CC1 ZINC000043751521 204288348 /nfs/dbraw/zinc/28/83/48/204288348.db2.gz IVBRNYLCSQZYGA-UHFFFAOYSA-N 0 0 348.522 4.353 50 0 EIAARN CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000047375235 204338540 /nfs/dbraw/zinc/33/85/40/204338540.db2.gz GPDMLPZQNNAIQD-UHFFFAOYSA-N 0 0 331.803 4.122 50 0 EIAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(=O)oc1 ZINC000044441888 204299343 /nfs/dbraw/zinc/29/93/43/204299343.db2.gz BQGFPEFBOXFVPY-UHFFFAOYSA-N 0 0 348.383 4.169 50 0 EIAARN CCOc1cc(C)ccc1NC(=O)c1sccc1Br ZINC000048801880 204356185 /nfs/dbraw/zinc/35/61/85/204356185.db2.gz ZOZSAYIDTFNXDR-UHFFFAOYSA-N 0 0 340.242 4.470 50 0 EIAARN COc1ccc2cccc(NC(=O)c3c(F)cccc3Cl)c2n1 ZINC000049027922 204362840 /nfs/dbraw/zinc/36/28/40/204362840.db2.gz AOQSDGYJHCUIGJ-UHFFFAOYSA-N 0 0 330.746 4.288 50 0 EIAARN O=C(NCc1ccco1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000050078065 204519004 /nfs/dbraw/zinc/51/90/04/204519004.db2.gz CTNCFIVPMFMTPP-RGMRCXJASA-N 0 0 335.447 4.434 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000019164031 212002264 /nfs/dbraw/zinc/00/22/64/212002264.db2.gz HCHMSPRTNVDPOF-UHFFFAOYSA-N 0 0 341.338 4.355 50 0 EIAARN O=C(Cc1noc(-c2ccc(Cl)c(Cl)c2)n1)Nc1ccccc1 ZINC000016579392 211914258 /nfs/dbraw/zinc/91/42/58/211914258.db2.gz RWERGNRXYHSJGM-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN Fc1c(F)c(Cl)c(I)c(F)c1Cl ZINC000263622738 245466576 /nfs/dbraw/zinc/46/65/76/245466576.db2.gz AKZOXSRQKJEDLX-UHFFFAOYSA-N 0 0 326.870 4.015 50 0 EIAARN Cc1nc(-c2cc(C(=O)Nc3ccc(C)cc3F)n(C)c2)cs1 ZINC000016261102 211891940 /nfs/dbraw/zinc/89/19/40/211891940.db2.gz DETLHKSTJHHLOR-UHFFFAOYSA-N 0 0 329.400 4.157 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(F)cc1F ZINC000016006830 211875079 /nfs/dbraw/zinc/87/50/79/211875079.db2.gz WIPDJNMHKKCJAO-UHFFFAOYSA-N 0 0 339.363 4.072 50 0 EIAARN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCCC2(C1)CCCCCC2 ZINC000129668212 205205835 /nfs/dbraw/zinc/20/58/35/205205835.db2.gz OAVFWWURBGFQHZ-QZTJIDSGSA-N 0 0 334.504 4.090 50 0 EIAARN CCC(C)(C)NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC000051203725 205308107 /nfs/dbraw/zinc/30/81/07/205308107.db2.gz MOQLGWWYSLVYGA-UHFFFAOYSA-N 0 0 348.468 4.054 50 0 EIAARN CC(=O)c1cccc(NC(=O)C(Br)=Cc2ccccc2)c1 ZINC000000113703 205405691 /nfs/dbraw/zinc/40/56/91/205405691.db2.gz IZKTUNFFYLQVEG-YBEGLDIGSA-N 0 0 344.208 4.264 50 0 EIAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cccc(Cl)c1 ZINC000000137651 205407978 /nfs/dbraw/zinc/40/79/78/205407978.db2.gz FUHDAQUBYJKQNH-UHFFFAOYSA-N 0 0 340.762 4.154 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1 ZINC000000147378 205411730 /nfs/dbraw/zinc/41/17/30/205411730.db2.gz RZJMYUCSTCNNTB-WEVVVXLNSA-N 0 0 347.798 4.018 50 0 EIAARN CCCn1cnc2sc(C)c(-c3ccc(OCC)cc3)c2c1=O ZINC000000148888 205412954 /nfs/dbraw/zinc/41/29/54/205412954.db2.gz LWQPUODZVSNYGE-UHFFFAOYSA-N 0 0 328.437 4.242 50 0 EIAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)c1ccco1 ZINC000000142897 205413181 /nfs/dbraw/zinc/41/31/81/205413181.db2.gz DZILIBXJDQAOJM-UHFFFAOYSA-N 0 0 330.434 4.138 50 0 EIAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 ZINC000000150777 205414529 /nfs/dbraw/zinc/41/45/29/205414529.db2.gz VMHWBFIKVYLAAB-KRWDZBQOSA-N 0 0 331.415 4.437 50 0 EIAARN CCN1c2ccc(NC(=O)c3cccc(OC)c3)c3cccc(c23)C1=O ZINC000000181096 205417188 /nfs/dbraw/zinc/41/71/88/205417188.db2.gz IKAMHTBKSTWZJY-UHFFFAOYSA-N 0 0 346.386 4.081 50 0 EIAARN Cc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)c1 ZINC000000190300 205419331 /nfs/dbraw/zinc/41/93/31/205419331.db2.gz FVKZVHNTPYTWSF-UHFFFAOYSA-N 0 0 349.459 4.488 50 0 EIAARN Cc1ccc(C2=N/C(=C/c3ccc(Br)s3)C(=O)O2)cc1 ZINC000000292063 205427481 /nfs/dbraw/zinc/42/74/81/205427481.db2.gz ZKBIVNSOOWTYRB-XYOKQWHBSA-N 0 0 348.221 4.164 50 0 EIAARN Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2Br)c1 ZINC000000461966 205465126 /nfs/dbraw/zinc/46/51/26/205465126.db2.gz MFBZTGYQYXUTBT-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN CC[C@H](C)c1ccc(O)c(NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000000485773 205470827 /nfs/dbraw/zinc/47/08/27/205470827.db2.gz HEVPSOHNQTUAMS-LBPRGKRZSA-N 0 0 337.375 4.264 50 0 biogenic EIAARN Cc1nc2ccccn2c1-c1csc(NC(=O)c2ccccc2)n1 ZINC000000411577 205452688 /nfs/dbraw/zinc/45/26/88/205452688.db2.gz XHCGIAYRSQQIBD-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN COc1cc2ccccc2cc1C(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000000567922 205488161 /nfs/dbraw/zinc/48/81/61/205488161.db2.gz VUDYKKWKNHZOCQ-UHFFFAOYSA-N 0 0 340.404 4.068 50 0 EIAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000003893089 205673342 /nfs/dbraw/zinc/67/33/42/205673342.db2.gz YXECZWSOBWZBCL-QMMMGPOBSA-N 0 0 326.145 4.408 50 0 EIAARN Cc1cc(C)c(-c2nnc(NC(=O)Cc3ccccc3)s2)c(C)c1 ZINC000004070444 205677965 /nfs/dbraw/zinc/67/79/65/205677965.db2.gz IXPBAMCXSBWOQV-UHFFFAOYSA-N 0 0 337.448 4.312 50 0 EIAARN CC(=O)NCCCCCCCCCCCC(=O)Nc1nccs1 ZINC000004113849 205686337 /nfs/dbraw/zinc/68/63/37/205686337.db2.gz WUVRXCMFWCBZNT-UHFFFAOYSA-N 0 0 339.505 4.119 50 0 EIAARN O=C(Nc1nnc(-c2ccco2)o1)C(c1ccccc1)c1ccccc1 ZINC000004107292 205686824 /nfs/dbraw/zinc/68/68/24/205686824.db2.gz PTZRIPODMWSZBX-UHFFFAOYSA-N 0 0 345.358 4.100 50 0 EIAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)NC1CCCCC1 ZINC000004138295 205691171 /nfs/dbraw/zinc/69/11/71/205691171.db2.gz GFTFRTBNMLBWFD-UHFFFAOYSA-N 0 0 325.456 4.179 50 0 EIAARN Cc1cc2c(ncnc2SCC(=O)Nc2ccccc2C)s1 ZINC000005017196 205747433 /nfs/dbraw/zinc/74/74/33/205747433.db2.gz YTTYJHYJLXGABT-UHFFFAOYSA-N 0 0 329.450 4.039 50 0 EIAARN C[C@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)NC1CC1 ZINC000005242885 205756435 /nfs/dbraw/zinc/75/64/35/205756435.db2.gz DCNHDMZXJRDAPW-ZDUSSCGKSA-N 0 0 349.459 4.056 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)Nc1cn(C)c2ccccc12 ZINC000005265855 205759159 /nfs/dbraw/zinc/75/91/59/205759159.db2.gz ZFZJPGGZEZTZQD-UHFFFAOYSA-N 0 0 329.787 4.484 50 0 EIAARN CCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000005373977 205770371 /nfs/dbraw/zinc/77/03/71/205770371.db2.gz GLDWNPBBQJAAKG-UHFFFAOYSA-N 0 0 328.437 4.080 50 0 EIAARN CCCOc1ccccc1OCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000005463560 205772829 /nfs/dbraw/zinc/77/28/29/205772829.db2.gz OWQMELYKAHSQGI-UHFFFAOYSA-N 0 0 349.814 4.155 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000006897504 205822998 /nfs/dbraw/zinc/82/29/98/205822998.db2.gz FSJUWALGVJFPCQ-UHFFFAOYSA-N 0 0 333.668 4.157 50 0 EIAARN C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccn1 ZINC000007597379 205836186 /nfs/dbraw/zinc/83/61/86/205836186.db2.gz PDVCIDCXPSBUJJ-AWEZNQCLSA-N 0 0 330.387 4.401 50 0 EIAARN C[C@@H](NC(=S)NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000007981202 205847989 /nfs/dbraw/zinc/84/79/89/205847989.db2.gz DLVFVHNKEMSGIL-DNVCBOLYSA-N 0 0 340.492 4.058 50 0 EIAARN Cc1coc(-c2cccc(NC(=O)N[C@@H](C)c3cccc(O)c3)c2)n1 ZINC000158326509 206184279 /nfs/dbraw/zinc/18/42/79/206184279.db2.gz KQDRMDAQMJFDLX-ZDUSSCGKSA-N 0 0 337.379 4.238 50 0 EIAARN CCc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 ZINC000000129362 206207812 /nfs/dbraw/zinc/20/78/12/206207812.db2.gz FRJANWSNUYTMBG-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN CCc1cccc(OCC(=O)Nc2ccccc2Br)c1 ZINC000000148555 206208168 /nfs/dbraw/zinc/20/81/68/206208168.db2.gz DTTGOWGRPZZJPL-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN CC(C)c1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000000146795 206208402 /nfs/dbraw/zinc/20/84/02/206208402.db2.gz WXHJHBDYRBUEBH-FMIVXFBMSA-N 0 0 333.435 4.058 50 0 EIAARN Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)O2)c1 ZINC000000190703 206209501 /nfs/dbraw/zinc/20/95/01/206209501.db2.gz JGYYEPUNADLSQD-XNTDXEJSSA-N 0 0 342.192 4.102 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1C ZINC000000236102 206210808 /nfs/dbraw/zinc/21/08/08/206210808.db2.gz PFDZJBACKVJIHM-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)C(=S)NCc2ccccc2)cc1 ZINC000000031506 206211648 /nfs/dbraw/zinc/21/16/48/206211648.db2.gz RHRUCRMHVLFLEP-AWEZNQCLSA-N 0 0 326.465 4.256 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1 ZINC000000266856 206222124 /nfs/dbraw/zinc/22/21/24/206222124.db2.gz RVHYOXFQWPZBMG-UHFFFAOYSA-N 0 0 347.399 4.316 50 0 EIAARN COC(=O)c1sccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000000609569 206245576 /nfs/dbraw/zinc/24/55/76/206245576.db2.gz CREFEOMCEVXQHJ-UHFFFAOYSA-N 0 0 344.314 4.198 50 0 EIAARN CCOC(=O)c1cc(C)sc1NC(=O)c1c(F)cccc1Cl ZINC000000372096 206234961 /nfs/dbraw/zinc/23/49/61/206234961.db2.gz GTOGUCXUHVYYJR-UHFFFAOYSA-N 0 0 341.791 4.278 50 0 EIAARN O=C(N[C@H]1CCCc2ccccc21)c1ccccc1Br ZINC000000364282 206235363 /nfs/dbraw/zinc/23/53/63/206235363.db2.gz GWWRMWMWOWGHCC-INIZCTEOSA-N 0 0 330.225 4.257 50 0 EIAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(F)cc1)CCCC3 ZINC000000377330 206235706 /nfs/dbraw/zinc/23/57/06/206235706.db2.gz RMYFMVGTJBNZOG-UHFFFAOYSA-N 0 0 341.411 4.149 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1ccccc1Br ZINC000000361900 206235826 /nfs/dbraw/zinc/23/58/26/206235826.db2.gz OFQRBPDYPZCKAP-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN C[C@@H]1CN=C(N(Cc2ccccc2)C(=S)Nc2ccccc2)S1 ZINC000000497770 206236935 /nfs/dbraw/zinc/23/69/35/206236935.db2.gz SVFGJAXABSDAJX-CQSZACIVSA-N 0 0 341.505 4.377 50 0 EIAARN CC(=O)NC1CCC(Nc2ccc(-c3ncc(C(C)C)o3)cc2)CC1 ZINC000161181900 206332206 /nfs/dbraw/zinc/33/22/06/206332206.db2.gz IDJBVSZEXCXYPO-UHFFFAOYSA-N 0 0 341.455 4.324 50 0 EIAARN CCCCN1C(=O)C(=Cc2cccc(-c3ccccc3)c2)NC1=S ZINC000102387118 206384157 /nfs/dbraw/zinc/38/41/57/206384157.db2.gz ZXJHGXVEVFIGMH-JXAWBTAJSA-N 0 0 336.460 4.211 50 0 EIAARN Cc1ccc(-c2cc(N)n(-c3ccc(Br)cc3)n2)cc1 ZINC000002532571 206384743 /nfs/dbraw/zinc/38/47/43/206384743.db2.gz GCDJKUDPSTYFAV-UHFFFAOYSA-N 0 0 328.213 4.192 50 0 EIAARN S=C1N=NC(c2cccnc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000005927495 206508494 /nfs/dbraw/zinc/50/84/94/206508494.db2.gz DUGDLGOKUQHIQV-UHFFFAOYSA-N 0 0 346.415 4.410 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)c1cc(Cl)ccc1OC ZINC000006153853 206510470 /nfs/dbraw/zinc/51/04/70/206510470.db2.gz STTNFMYBBHXJLK-UHFFFAOYSA-N 0 0 343.814 4.361 50 0 EIAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1 ZINC000009315926 211066330 /nfs/dbraw/zinc/06/63/30/211066330.db2.gz QJMDRBLLBIEVQY-UHFFFAOYSA-N 0 0 348.805 4.213 50 0 EIAARN O=C(NCc1ccccn1)c1csc2ccc(C(F)(F)F)cc12 ZINC000094993228 218271584 /nfs/dbraw/zinc/27/15/84/218271584.db2.gz PJIJJSGQAQCAGP-UHFFFAOYSA-N 0 0 336.338 4.245 50 0 EIAARN Cc1ccccc1Cc1nnc(CN2CCC[C@H]2c2ccc(O)cc2)o1 ZINC000095415695 218354394 /nfs/dbraw/zinc/35/43/94/218354394.db2.gz SSXCETGLYPEIHZ-IBGZPJMESA-N 0 0 349.434 4.012 50 0 EIAARN CC(=O)N[C@@H](CC(=O)Oc1ccc(Cl)cc1C)c1ccc(C)cc1 ZINC000011464041 206920657 /nfs/dbraw/zinc/92/06/57/206920657.db2.gz POXFSBXWEYQYSW-KRWDZBQOSA-N 0 0 345.826 4.130 50 0 EIAARN Cc1cccc([C@H]2CCCN2C(=O)c2cc(C(C)C)n(C)n2)c1C ZINC000174283805 207005582 /nfs/dbraw/zinc/00/55/82/207005582.db2.gz QOMAWXZRKLYIPH-GOSISDBHSA-N 0 0 325.456 4.138 50 0 EIAARN CC[C@@](CNC(=O)C12CC3CC(CC(C3)C1)C2)(OC)c1ccccc1 ZINC000096123714 218614408 /nfs/dbraw/zinc/61/44/08/218614408.db2.gz AVBOXZBGDJWMPK-TXSRUQCCSA-N 0 0 341.495 4.271 50 0 EIAARN COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)C(C)C)on2)cc1 ZINC000012120243 207071814 /nfs/dbraw/zinc/07/18/14/207071814.db2.gz MJQMHTDBZOUNQK-GOSISDBHSA-N 0 0 342.439 4.450 50 0 EIAARN O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccccc1F ZINC000012235647 207081590 /nfs/dbraw/zinc/08/15/90/207081590.db2.gz RQLHDASFITURKI-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN C[C@@]1(C(=O)Nc2cccc(F)c2)CC(c2ccccc2Cl)=NO1 ZINC000096192864 218661682 /nfs/dbraw/zinc/66/16/82/218661682.db2.gz XRHMGXBWNAAOCQ-KRWDZBQOSA-N 0 0 332.762 4.001 50 0 EIAARN O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1ccc(F)c(F)c1 ZINC000012422190 207143967 /nfs/dbraw/zinc/14/39/67/207143967.db2.gz FBTNEHCNZKNVNT-UHFFFAOYSA-N 0 0 348.736 4.454 50 0 EIAARN Cc1nnc(-c2ccc(NC(=O)c3cccc4ccccc43)cc2)o1 ZINC000012443864 207146424 /nfs/dbraw/zinc/14/64/24/207146424.db2.gz SGYNVMCWWXYHTH-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc(Br)c1 ZINC000012620242 207180232 /nfs/dbraw/zinc/18/02/32/207180232.db2.gz ALIMUZQVOPZDPM-LXKVQUBZSA-N 0 0 342.236 4.440 50 0 EIAARN CS[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000096411733 218766876 /nfs/dbraw/zinc/76/68/76/218766876.db2.gz XAPCLFDEDXQCHI-XHDPSFHLSA-N 0 0 349.887 4.145 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)c1c[nH]c2ccccc12 ZINC000012915688 207264224 /nfs/dbraw/zinc/26/42/24/207264224.db2.gz WPHRIFUQJHQHOF-UHFFFAOYSA-N 0 0 329.197 4.491 50 0 EIAARN O=c1c2cc(OCCCc3ccccc3)ccc2nc2n1CCCCC2 ZINC000012899006 207259876 /nfs/dbraw/zinc/25/98/76/207259876.db2.gz UOBYZEFQPVDDOP-UHFFFAOYSA-N 0 0 348.446 4.135 50 0 biogenic EIAARN O=C(Nc1cccc2ncccc21)c1cc(Br)ccc1F ZINC000012908741 207262102 /nfs/dbraw/zinc/26/21/02/207262102.db2.gz PTIOKOOKALHRSM-UHFFFAOYSA-N 0 0 345.171 4.389 50 0 EIAARN CCc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000012984573 207268954 /nfs/dbraw/zinc/26/89/54/207268954.db2.gz NBMDRPWYEZUGJR-LJQANCHMSA-N 0 0 325.408 4.059 50 0 EIAARN CCCCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000012926026 207265694 /nfs/dbraw/zinc/26/56/94/207265694.db2.gz XUXBYGRFOLZVNE-UHFFFAOYSA-N 0 0 332.425 4.100 50 0 EIAARN Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012941434 207266530 /nfs/dbraw/zinc/26/65/30/207266530.db2.gz QGIQGYNKCREKNE-JARZOMNASA-N 0 0 349.430 4.143 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2cc(Cl)cc3cccnc32)c1 ZINC000013020717 207267844 /nfs/dbraw/zinc/26/78/44/207267844.db2.gz YLAJHKLNFVGMLS-UHFFFAOYSA-N 0 0 342.782 4.158 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2Cl)cc1 ZINC000013096118 207287551 /nfs/dbraw/zinc/28/75/51/207287551.db2.gz DGIYNNPLAZIESB-CYBMUJFWSA-N 0 0 344.842 4.002 50 0 EIAARN CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000014049058 207613137 /nfs/dbraw/zinc/61/31/37/207613137.db2.gz LWOOXJPYCCDCKR-CQSZACIVSA-N 0 0 336.439 4.208 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000096417978 218780161 /nfs/dbraw/zinc/78/01/61/218780161.db2.gz BIUWLMGMIGGVFS-INIZCTEOSA-N 0 0 349.381 4.374 50 0 EIAARN CN(C(=O)Cc1cccc(Cl)c1)c1ccc(-c2ccccc2)nn1 ZINC000096472876 218851056 /nfs/dbraw/zinc/85/10/56/218851056.db2.gz SKRJVOOUJZYXGC-UHFFFAOYSA-N 0 0 337.810 4.003 50 0 EIAARN O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)NCc1ccccn1 ZINC000096942977 218904684 /nfs/dbraw/zinc/90/46/84/218904684.db2.gz GAENIIRTKJTBRM-LUAWRHEFSA-N 0 0 338.407 4.279 50 0 EIAARN COc1cc(SC)ccc1NC(=O)N1CCC[C@@H]1c1cccn1C ZINC000192681059 533104628 /nfs/dbraw/zinc/10/46/28/533104628.db2.gz YYBYFWLUZANWCE-MRXNPFEDSA-N 0 0 345.468 4.125 50 0 EIAARN Cc1ccnc(Oc2cc(NCc3nnc(C4CC4)o3)ccc2C)c1 ZINC000154012429 224189737 /nfs/dbraw/zinc/18/97/37/224189737.db2.gz DNPQSSBXMMCWSZ-UHFFFAOYSA-N 0 0 336.395 4.363 50 0 EIAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(Cl)cn1 ZINC000524733063 257842950 /nfs/dbraw/zinc/84/29/50/257842950.db2.gz PVKMYGPSWHVMLF-CQSZACIVSA-N 0 0 331.828 4.216 50 0 EIAARN COc1ccc(-c2nsc(NC(=O)c3c(C)cccc3C)n2)cc1 ZINC000175189580 257954814 /nfs/dbraw/zinc/95/48/14/257954814.db2.gz YASALOPJMUWCHT-UHFFFAOYSA-N 0 0 339.420 4.083 50 0 EIAARN COc1ccc(CN(C)C(=O)[C@H]2CC23CCCCC3)c2cccnc12 ZINC000426477848 257967516 /nfs/dbraw/zinc/96/75/16/257967516.db2.gz FFBSIGFBESNMPE-QGZVFWFLSA-N 0 0 338.451 4.172 50 0 EIAARN CCOC(=O)c1cnc2c(C)cccc2c1NCCc1ccccc1 ZINC000000097649 258047443 /nfs/dbraw/zinc/04/74/43/258047443.db2.gz PEGVBWFXTSLDNL-UHFFFAOYSA-N 0 0 334.419 4.375 50 0 EIAARN Cc1nc(CNc2cc(C(F)(F)F)cc(Cl)n2)ccc1[C@@H](C)O ZINC000408522077 257978860 /nfs/dbraw/zinc/97/88/60/257978860.db2.gz COHQOVUBHJSVJP-SECBINFHSA-N 0 0 345.752 4.123 50 0 EIAARN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)C(F)F)c1 ZINC000328587428 258045994 /nfs/dbraw/zinc/04/59/94/258045994.db2.gz QOZOEZCARCYPMK-IRXDYDNUSA-N 0 0 331.362 4.018 50 0 EIAARN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000245329673 258000216 /nfs/dbraw/zinc/00/02/16/258000216.db2.gz VKTCWLZASBSZRF-CPLUKWAASA-N 0 0 343.854 4.458 50 0 EIAARN Cc1ccccc1SC1CCN(C(=O)[C@]2(C)CCCCO2)CC1 ZINC000299790039 258096251 /nfs/dbraw/zinc/09/62/51/258096251.db2.gz AXNPTYBORXDYPM-IBGZPJMESA-N 0 0 333.497 4.037 50 0 EIAARN CC[C@H]1CCc2sc(C(=O)Nc3nnc(C4CC4)s3)cc2C1 ZINC000006489703 258052032 /nfs/dbraw/zinc/05/20/32/258052032.db2.gz YXBVKVOAQRVLHN-VIFPVBQESA-N 0 0 333.482 4.244 50 0 EIAARN Cc1c(C(=O)Nc2nnc(C3CC3)s2)sc2nc(C)cc(C)c12 ZINC000009368784 258054071 /nfs/dbraw/zinc/05/40/71/258054071.db2.gz HFWZINFOJZQETA-UHFFFAOYSA-N 0 0 344.465 4.203 50 0 EIAARN COc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)cn1 ZINC000012534609 258054569 /nfs/dbraw/zinc/05/45/69/258054569.db2.gz RDOGMVOGMNWCKP-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CC[C@H](C)n1c(SCc2ccccn2)nc2ccccc2c1=O ZINC000012534705 258054570 /nfs/dbraw/zinc/05/45/70/258054570.db2.gz BTDCVOPXVGDSSG-ZDUSSCGKSA-N 0 0 325.437 4.055 50 0 EIAARN CN(C[C@@H]1CCOC1)C(=O)Nc1cccc(CSC(C)(C)C)c1 ZINC000095408890 258066983 /nfs/dbraw/zinc/06/69/83/258066983.db2.gz WKMHDTMEBPXZJU-HNNXBMFYSA-N 0 0 336.501 4.219 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O=c1oc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12 ZINC000000098230 563224960 /nfs/dbraw/zinc/22/49/60/563224960.db2.gz BIDHVVUQZDQEOZ-UHFFFAOYSA-N 0 0 336.572 4.271 50 0 EIAARN CCOC(=O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1 ZINC000000101381 563225991 /nfs/dbraw/zinc/22/59/91/563225991.db2.gz GWSDIPFWSJEMSS-UHFFFAOYSA-N 0 0 333.387 4.373 50 0 EIAARN CC(C)c1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2CCO)cc1 ZINC000000105057 563227172 /nfs/dbraw/zinc/22/71/72/563227172.db2.gz OVCZOLKPFIIYMW-RBBKRZOGSA-N 0 0 334.463 4.126 50 0 EIAARN Cc1nn(-c2ccccc2Br)c2c1C(=O)CC(C)(C)C2 ZINC000000111561 563229989 /nfs/dbraw/zinc/22/99/89/563229989.db2.gz QZKVNWJOPNSWQX-UHFFFAOYSA-N 0 0 333.229 4.098 50 0 EIAARN CCOC(=O)c1cc(-c2csc(Nc3ccc(Cl)cc3)n2)on1 ZINC000000123697 563235881 /nfs/dbraw/zinc/23/58/81/563235881.db2.gz PQFPRPFHQNERPJ-UHFFFAOYSA-N 0 0 349.799 4.372 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C)C2 ZINC000000127477 563237249 /nfs/dbraw/zinc/23/72/49/563237249.db2.gz DWJMBMSQOGEALK-SNVBAGLBSA-N 0 0 349.477 4.363 50 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O=C(COc1cccc(Br)c1)Oc1ccccc1Cl ZINC000000148530 563245168 /nfs/dbraw/zinc/24/51/68/563245168.db2.gz YZROURKNUKORQW-UHFFFAOYSA-N 0 0 341.588 4.087 50 0 EIAARN CCOc1cc(C(=O)Oc2ccc(F)cc2)cc(OCC)c1OCC ZINC000000149116 563245373 /nfs/dbraw/zinc/24/53/73/563245373.db2.gz CIODWLPMANNTGC-UHFFFAOYSA-N 0 0 348.370 4.241 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)CC(C)(C)C)c(Br)c1 ZINC000000150274 563246041 /nfs/dbraw/zinc/24/60/41/563246041.db2.gz XIQNFFFXNYYSHG-UHFFFAOYSA-N 0 0 343.290 4.007 50 0 EIAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000000168722 563250317 /nfs/dbraw/zinc/25/03/17/563250317.db2.gz XFCUATJBJJINJY-GFCCVEGCSA-N 0 0 333.790 4.226 50 0 EIAARN CCOc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000000191599 563256950 /nfs/dbraw/zinc/25/69/50/563256950.db2.gz ALZOYFGXIOIDFM-UHFFFAOYSA-N 0 0 333.815 4.373 50 0 EIAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000000201125 563258708 /nfs/dbraw/zinc/25/87/08/563258708.db2.gz FFNNGENLSBRBNR-HXUWFJFHSA-N 0 0 341.414 4.277 50 0 EIAARN CC(=O)Nc1c(C)cc(Cc2cc(C)c(NC(C)=O)c(C)c2)cc1C ZINC000000226862 563263101 /nfs/dbraw/zinc/26/31/01/563263101.db2.gz PFCDFHOPGATMQD-UHFFFAOYSA-N 0 0 338.451 4.428 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](Nc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000000226896 563263446 /nfs/dbraw/zinc/26/34/46/563263446.db2.gz ILUGIZKYCSYFEB-OAQYLSRUSA-N 0 0 344.414 4.046 50 0 EIAARN C[C@H](NC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 ZINC000000239584 563264972 /nfs/dbraw/zinc/26/49/72/563264972.db2.gz BNGOECDWXLLTOM-INIZCTEOSA-N 0 0 344.414 4.430 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000000253036 563266858 /nfs/dbraw/zinc/26/68/58/563266858.db2.gz SKJJIFRWCCSXGL-UHFFFAOYSA-N 0 0 343.370 4.431 50 0 in-vitro EIAARN CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000000250160 563266878 /nfs/dbraw/zinc/26/68/78/563266878.db2.gz MDJJZAXKYICMIN-NSHDSACASA-N 0 0 331.437 4.118 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000000262253 563268571 /nfs/dbraw/zinc/26/85/71/563268571.db2.gz QOOXVVJHEQYBMQ-UHFFFAOYSA-N 0 0 344.370 4.382 50 0 biogenic EIAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000000267637 563269345 /nfs/dbraw/zinc/26/93/45/563269345.db2.gz GJSNJWXRUSEVIC-UHFFFAOYSA-N 0 0 347.370 4.247 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCC2 ZINC000000284095 563272301 /nfs/dbraw/zinc/27/23/01/563272301.db2.gz JUWAGZALCAMHJW-UHFFFAOYSA-N 0 0 349.839 4.319 50 0 EIAARN Cc1ccc(OC(=O)C2CCCCC2)c(-n2nc3ccccc3n2)c1 ZINC000000285332 563272677 /nfs/dbraw/zinc/27/26/77/563272677.db2.gz CZSPULXDAVGHQX-UHFFFAOYSA-N 0 0 335.407 4.215 50 0 EIAARN COC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000000287664 563273147 /nfs/dbraw/zinc/27/31/47/563273147.db2.gz IGPVZSFGSXVOJG-UHFFFAOYSA-N 0 0 339.178 4.424 50 0 EIAARN O=c1[nH]c2cccc3c2c(c1NC1CCCCC1)-c1ccccc1C3=O ZINC000000291734 563273983 /nfs/dbraw/zinc/27/39/83/563273983.db2.gz AEQYYTRKXMSTBD-UHFFFAOYSA-N 0 0 344.414 4.484 50 0 EIAARN Cc1ccccc1Cn1c2ccccc2[nH]c1=NC(=O)C1CCCCC1 ZINC000000302156 563276114 /nfs/dbraw/zinc/27/61/14/563276114.db2.gz PZFFWXQMDAZBEG-UHFFFAOYSA-N 0 0 347.462 4.334 50 0 EIAARN CC(C)c1ccc(CNC(=O)/C=C/c2nc3ccccc3n2C)cc1 ZINC000000314111 563282052 /nfs/dbraw/zinc/28/20/52/563282052.db2.gz CWCNHLXTORBDPU-OUKQBFOZSA-N 0 0 333.435 4.026 50 0 EIAARN O=C(Nc1ccc(Br)c2cccnc12)c1cccs1 ZINC000000349843 563289112 /nfs/dbraw/zinc/28/91/12/563289112.db2.gz CPWBAOTZKLXRNE-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN CCC(=O)c1ccc(OC(=O)c2ccccc2Br)cc1 ZINC000000353659 563290470 /nfs/dbraw/zinc/29/04/70/563290470.db2.gz CGCLEYFCFJMMFA-UHFFFAOYSA-N 0 0 333.181 4.261 50 0 EIAARN COC(=O)c1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000000362844 563294428 /nfs/dbraw/zinc/29/44/28/563294428.db2.gz YEXHCFKQXHVBBR-HNNXBMFYSA-N 0 0 339.435 4.414 50 0 EIAARN CC(C)(C)c1cc(OC(=O)c2ccc(Br)o2)ccc1O ZINC000000364471 563295566 /nfs/dbraw/zinc/29/55/66/563295566.db2.gz ACEJLQCTYCBBDL-UHFFFAOYSA-N 0 0 339.185 4.264 50 0 EIAARN CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2C)c(C)c1 ZINC000000364790 563295631 /nfs/dbraw/zinc/29/56/31/563295631.db2.gz URXIYSPQMMJJND-UHFFFAOYSA-N 0 0 340.467 4.476 50 0 EIAARN COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1Cl ZINC000000364959 563296005 /nfs/dbraw/zinc/29/60/05/563296005.db2.gz RMMOQXIPNVEPDR-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2nc3ccccc3s2)c(C)c1 ZINC000000364931 563296015 /nfs/dbraw/zinc/29/60/15/563296015.db2.gz VVRHMDZTKMZJOE-CYBMUJFWSA-N 0 0 326.421 4.319 50 0 EIAARN NC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCCC2 ZINC000000370150 563297414 /nfs/dbraw/zinc/29/74/14/563297414.db2.gz BWGTURDNQVPTSJ-UHFFFAOYSA-N 0 0 349.843 4.023 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 ZINC000000373741 563298013 /nfs/dbraw/zinc/29/80/13/563298013.db2.gz XHPGFTXTWZKGGH-UHFFFAOYSA-N 0 0 338.363 4.042 50 0 EIAARN COC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000000373355 563298027 /nfs/dbraw/zinc/29/80/27/563298027.db2.gz RDAHUWQQBAUTDL-UHFFFAOYSA-N 0 0 345.576 4.061 50 0 EIAARN Cc1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)no1 ZINC000000375904 563299015 /nfs/dbraw/zinc/29/90/15/563299015.db2.gz QHNGSCPYIGFUDA-UHFFFAOYSA-N 0 0 332.743 4.061 50 0 EIAARN COc1ccccc1C(=O)Nc1c(-c2cccs2)nc2ccccn21 ZINC000000377179 563299380 /nfs/dbraw/zinc/29/93/80/563299380.db2.gz XPGBBQKMZIZIDG-UHFFFAOYSA-N 0 0 349.415 4.324 50 0 EIAARN COc1ccc(NCC(=O)n2c(C)c(C)c3ccccc32)cc1OC ZINC000000377083 563299396 /nfs/dbraw/zinc/29/93/96/563299396.db2.gz OOIXDNFRBXXMIY-UHFFFAOYSA-N 0 0 338.407 4.028 50 0 EIAARN COc1cc(O)ccc1[C@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21 ZINC000000382415 563300382 /nfs/dbraw/zinc/30/03/82/563300382.db2.gz WRLGZLUXEPUYJG-FQEVSTJZSA-N 0 0 335.407 4.162 50 0 EIAARN CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000383715 563300917 /nfs/dbraw/zinc/30/09/17/563300917.db2.gz MVWUFEVIMIVWGL-UHFFFAOYSA-N 0 0 340.206 4.410 50 0 EIAARN Cc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c(C)c1 ZINC000000422674 563309107 /nfs/dbraw/zinc/30/91/07/563309107.db2.gz HNZVPIWVOPQWPL-UHFFFAOYSA-N 0 0 325.437 4.364 50 0 EIAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccc(C)c(C)c2)c1 ZINC000000426387 563310071 /nfs/dbraw/zinc/31/00/71/563310071.db2.gz YZDUEVIZHLBYCV-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1 ZINC000000426628 563310628 /nfs/dbraw/zinc/31/06/28/563310628.db2.gz QMSPZJSLWAOMES-CQSZACIVSA-N 0 0 340.423 4.281 50 0 EIAARN Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000000427694 563310768 /nfs/dbraw/zinc/31/07/68/563310768.db2.gz BYWSFZUESSMLHH-OAHLLOKOSA-N 0 0 337.419 4.335 50 0 EIAARN COc1cc(-c2nc3ncccn3c2Nc2ccc(C)cc2)ccc1O ZINC000000428794 563311288 /nfs/dbraw/zinc/31/12/88/563311288.db2.gz CKXDPTWNRYUVJS-UHFFFAOYSA-N 0 0 346.390 4.163 50 0 EIAARN COC(=O)c1sccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000000433744 563311945 /nfs/dbraw/zinc/31/19/45/563311945.db2.gz XKCQULCITNGAHQ-JXMROGBWSA-N 0 0 343.448 4.484 50 0 EIAARN CCc1c(C)sc(NC(=O)/C=C/c2ccc(Cl)cc2)c1C(N)=O ZINC000000433662 563311959 /nfs/dbraw/zinc/31/19/59/563311959.db2.gz CNYLBGGVFLLAPE-RMKNXTFCSA-N 0 0 348.855 4.023 50 0 EIAARN CCc1c(C)sc(NC(=O)c2ccc(C)c(C)c2)c1C(=O)OC ZINC000000433941 563312140 /nfs/dbraw/zinc/31/21/40/563312140.db2.gz LHVGRFUAUABIAT-UHFFFAOYSA-N 0 0 331.437 4.275 50 0 EIAARN COc1ccc(C)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000000441059 563313890 /nfs/dbraw/zinc/31/38/90/563313890.db2.gz YHHDKSVVHZFHKH-UHFFFAOYSA-N 0 0 327.424 4.319 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000000442330 563314495 /nfs/dbraw/zinc/31/44/95/563314495.db2.gz JBEBKEAGJSATOF-UHFFFAOYSA-N 0 0 339.313 4.220 50 0 EIAARN CCOC(=O)Cc1nnc(Nc2cc(C)ccc2C)c2ccccc12 ZINC000000443445 563315363 /nfs/dbraw/zinc/31/53/63/563315363.db2.gz CXJZHEAMQDREAG-UHFFFAOYSA-N 0 0 335.407 4.096 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000445504 563317070 /nfs/dbraw/zinc/31/70/70/563317070.db2.gz CDBFFWTWKMYOMB-CYBMUJFWSA-N 0 0 343.423 4.478 50 0 EIAARN CC(C)(C)c1csc(NC(=O)c2ccc(Br)cc2)n1 ZINC000000450983 563319997 /nfs/dbraw/zinc/31/99/97/563319997.db2.gz QAWYRTBXMOXTAK-UHFFFAOYSA-N 0 0 339.258 4.455 50 0 EIAARN CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000000452876 563321622 /nfs/dbraw/zinc/32/16/22/563321622.db2.gz FNZZQXQATJDDAR-UHFFFAOYSA-N 0 0 349.434 4.030 50 0 EIAARN CCCN(CCC)S(=O)(=O)c1ccc2cc(OCC)ccc2c1 ZINC000000453665 563322307 /nfs/dbraw/zinc/32/23/07/563322307.db2.gz WLSIRDWGYPZHEF-UHFFFAOYSA-N 0 0 335.469 4.049 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1C ZINC000000454255 563322637 /nfs/dbraw/zinc/32/26/37/563322637.db2.gz ZIQZKLICZHUGHQ-UHFFFAOYSA-N 0 0 342.464 4.217 50 0 EIAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000000456919 563324632 /nfs/dbraw/zinc/32/46/32/563324632.db2.gz GARWPBXZEATOHW-GQCTYLIASA-N 0 0 341.219 4.113 50 0 EIAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(F)c1 ZINC000000459554 563325922 /nfs/dbraw/zinc/32/59/22/563325922.db2.gz LCPLYTOLRZSZRC-UHFFFAOYSA-N 0 0 346.365 4.120 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1 ZINC000000461246 563326506 /nfs/dbraw/zinc/32/65/06/563326506.db2.gz HANOBIHSLKCFGR-QGZVFWFLSA-N 0 0 333.431 4.356 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)COc3ccc(F)cc3)n2)cc1 ZINC000000463124 563327432 /nfs/dbraw/zinc/32/74/32/563327432.db2.gz GQRKQGSIFPVQRW-UHFFFAOYSA-N 0 0 342.395 4.275 50 0 EIAARN COc1ccc2nc(NC(=O)CSCc3ccccc3)sc2c1 ZINC000000465875 563328452 /nfs/dbraw/zinc/32/84/52/563328452.db2.gz NYMBMRDKXPGUGW-UHFFFAOYSA-N 0 0 344.461 4.177 50 0 EIAARN C=Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000000467024 563328762 /nfs/dbraw/zinc/32/87/62/563328762.db2.gz MHIJVLORDYPGKD-UHFFFAOYSA-N 0 0 332.359 4.427 50 0 EIAARN COc1ccc(Cl)cc1C1N=NC(=S)N1c1ccc(C)cc1 ZINC000000467710 563329434 /nfs/dbraw/zinc/32/94/34/563329434.db2.gz IOIRITUQZPYOAO-UHFFFAOYSA-N 0 0 331.828 4.193 50 0 EIAARN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000000475953 563334144 /nfs/dbraw/zinc/33/41/44/563334144.db2.gz XVNLRSYWIAPBMJ-VGOFMYFVSA-N 0 0 337.419 4.423 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)[C@H]1CCCO1 ZINC000000477176 563335015 /nfs/dbraw/zinc/33/50/15/563335015.db2.gz QKVDQSBBZZFHKS-YCRPNKLZSA-N 0 0 346.430 4.199 50 0 EIAARN Cc1c(OCc2ccc(F)cc2F)ccc2c3c(c(=O)oc12)CCC3 ZINC000000477209 563335041 /nfs/dbraw/zinc/33/50/41/563335041.db2.gz JUPVUGIGLFVQPP-UHFFFAOYSA-N 0 0 342.341 4.447 50 0 EIAARN CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000483152 563337428 /nfs/dbraw/zinc/33/74/28/563337428.db2.gz BDSWZNQFCZRKSB-GFCCVEGCSA-N 0 0 349.496 4.424 50 0 EIAARN Cc1cc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc(C)c1Cl ZINC000000484280 563337966 /nfs/dbraw/zinc/33/79/66/563337966.db2.gz UJWLBJCSECKQCI-AWEZNQCLSA-N 0 0 329.827 4.313 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000000497951 563338723 /nfs/dbraw/zinc/33/87/23/563338723.db2.gz FYYRINXGKNANCF-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN CCN(CC)c1ccc(NC(=O)COc2c(C)cccc2C)cc1 ZINC000000516397 563340353 /nfs/dbraw/zinc/34/03/53/563340353.db2.gz MDYMDSWOVMXLOO-UHFFFAOYSA-N 0 0 326.440 4.167 50 0 EIAARN COc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn32)c1 ZINC000000523953 563341126 /nfs/dbraw/zinc/34/11/26/563341126.db2.gz WHSUCSAHKLPOKA-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN CCOc1cccc(-c2nn3c(nnc3-c3ccccc3C)s2)c1 ZINC000000526367 563341338 /nfs/dbraw/zinc/34/13/38/563341338.db2.gz OQZGLNMBRNJSJI-UHFFFAOYSA-N 0 0 336.420 4.227 50 0 EIAARN Clc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1 ZINC000000528381 563341732 /nfs/dbraw/zinc/34/17/32/563341732.db2.gz MITVOOWVBKZTQD-UHFFFAOYSA-N 0 0 332.860 4.337 50 0 EIAARN Cc1cccc(-c2nn3c(nnc3-c3ccccc3Cl)s2)c1 ZINC000000530564 563342405 /nfs/dbraw/zinc/34/24/05/563342405.db2.gz JGIVPVIBFZAAMM-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN Cc1sc2nc(SCc3ccccc3C)n(C)c(=O)c2c1C ZINC000000531357 563342799 /nfs/dbraw/zinc/34/27/99/563342799.db2.gz RROAQYCMXYPPQT-UHFFFAOYSA-N 0 0 330.478 4.213 50 0 EIAARN CCOc1cccc(-c2nn3c(nnc3-c3ccc(C)cc3)s2)c1 ZINC000000533532 563343080 /nfs/dbraw/zinc/34/30/80/563343080.db2.gz BESAIHPYOBNRPG-UHFFFAOYSA-N 0 0 336.420 4.227 50 0 EIAARN Clc1cccc(-c2nnc3sc(COc4ccccc4)nn32)c1 ZINC000000532820 563343142 /nfs/dbraw/zinc/34/31/42/563343142.db2.gz NOUMUPOFNHOMPA-UHFFFAOYSA-N 0 0 342.811 4.085 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)CCSc2ccc(C)cc2)c1 ZINC000000555114 563345512 /nfs/dbraw/zinc/34/55/12/563345512.db2.gz YGGNJCCETLSDGF-UHFFFAOYSA-N 0 0 343.448 4.211 50 0 EIAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1 ZINC000000555930 563345523 /nfs/dbraw/zinc/34/55/23/563345523.db2.gz RAWIAEBHACDAQX-UHFFFAOYSA-N 0 0 339.420 4.124 50 0 EIAARN Cc1cccc([C@H](CC(=O)NCc2ccco2)c2ccccc2)c1O ZINC000000608540 563352390 /nfs/dbraw/zinc/35/23/90/563352390.db2.gz IFXWCNYAOBEMBK-LJQANCHMSA-N 0 0 335.403 4.132 50 0 EIAARN Cc1ccc(N2C(=O)c3ccccc3[C@]2(O)Cc2ccccc2)cc1 ZINC000000611455 563354346 /nfs/dbraw/zinc/35/43/46/563354346.db2.gz GSUQJDDJNCUTFI-JOCHJYFZSA-N 0 0 329.399 4.043 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc3ccc4ccccc4n32)cc1C ZINC000000612761 563355762 /nfs/dbraw/zinc/35/57/62/563355762.db2.gz GGZULIRTOYNLHP-UHFFFAOYSA-N 0 0 347.443 4.474 50 0 EIAARN CCCC(=O)c1ccc(OCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000000614027 563356614 /nfs/dbraw/zinc/35/66/14/563356614.db2.gz HIZQVMFNOGEXJB-UHFFFAOYSA-N 0 0 325.408 4.249 50 0 EIAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000000616698 563358523 /nfs/dbraw/zinc/35/85/23/563358523.db2.gz HOIXIRWAMHNIRC-UHFFFAOYSA-N 0 0 339.501 4.080 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000000617991 563359502 /nfs/dbraw/zinc/35/95/02/563359502.db2.gz DUUDRJFXWBHQOK-HNNXBMFYSA-N 0 0 342.420 4.101 50 0 EIAARN C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000000619429 563360928 /nfs/dbraw/zinc/36/09/28/563360928.db2.gz ZVFUKBNUUDHJRR-CQSZACIVSA-N 0 0 334.375 4.023 50 0 EIAARN O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)c(Cl)c1 ZINC000000789864 563363486 /nfs/dbraw/zinc/36/34/86/563363486.db2.gz YJFNKHOHXYQTHW-UHFFFAOYSA-N 0 0 342.129 4.116 50 0 EIAARN O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000000815120 563364124 /nfs/dbraw/zinc/36/41/24/563364124.db2.gz VAICQDPUQLXITQ-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN CCCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000096026448 563365983 /nfs/dbraw/zinc/36/59/83/563365983.db2.gz ULZPBJFEPSKMKF-OAHLLOKOSA-N 0 0 330.255 4.474 50 0 EIAARN CCOc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2O)cc1OC ZINC000000935990 563366451 /nfs/dbraw/zinc/36/64/51/563366451.db2.gz IEJCNYPBVQHYFD-UHFFFAOYSA-N 0 0 340.375 4.190 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000000999099 563367670 /nfs/dbraw/zinc/36/76/70/563367670.db2.gz BQVVNHNVSVPUGQ-UHFFFAOYSA-N 0 0 336.435 4.310 50 0 EIAARN O=C1CSC2=NC3=C(CCc4ccccc43)[C@@H](c3cccs3)N12 ZINC000001035658 563369712 /nfs/dbraw/zinc/36/97/12/563369712.db2.gz RTXCLWRWBGCUBW-KRWDZBQOSA-N 0 0 338.457 4.092 50 0 EIAARN CCOc1ccc(NS(=O)(=O)c2ccc3cc(C)ccc3c2)cc1 ZINC000001050096 563370451 /nfs/dbraw/zinc/37/04/51/563370451.db2.gz OLEBFEANEIFYLY-UHFFFAOYSA-N 0 0 341.432 4.348 50 0 EIAARN CSc1ccccc1NC(=O)c1ccc(Br)s1 ZINC000001052223 563370488 /nfs/dbraw/zinc/37/04/88/563370488.db2.gz KSOFDXSGHKZFFC-UHFFFAOYSA-N 0 0 328.256 4.485 50 0 EIAARN CC[C@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000001055761 563371189 /nfs/dbraw/zinc/37/11/89/563371189.db2.gz BLCIJPHBWYCRCZ-IBGZPJMESA-N 0 0 336.435 4.055 50 0 EIAARN CCOc1ccccc1-c1nc2ccc(Br)cc2c(=O)o1 ZINC000001064558 563372574 /nfs/dbraw/zinc/37/25/74/563372574.db2.gz ZDDNIOQKENOXGP-UHFFFAOYSA-N 0 0 346.180 4.016 50 0 EIAARN O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1 ZINC000009725706 563380302 /nfs/dbraw/zinc/38/03/02/563380302.db2.gz XITDATFFFWFVGE-ONEGZZNKSA-N 0 0 337.263 4.360 50 0 EIAARN NC(=O)c1ccc(-c2nnc(Nc3ccccc3)c3ccccc32)cc1 ZINC000001305269 563383201 /nfs/dbraw/zinc/38/32/01/563383201.db2.gz VBCHCNYAJPREEN-UHFFFAOYSA-N 0 0 340.386 4.139 50 0 EIAARN Cc1sc(-c2cccc(C(F)(F)F)c2)nc1OC(=O)C1CC1 ZINC000001385763 563384970 /nfs/dbraw/zinc/38/49/70/563384970.db2.gz JPRSPAWAJNEUDJ-UHFFFAOYSA-N 0 0 327.327 4.453 50 0 EIAARN COc1cc([C@H](OC)c2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000001453836 563389855 /nfs/dbraw/zinc/38/98/55/563389855.db2.gz OYKQOZVBDSJLPM-IBGZPJMESA-N 0 0 341.407 4.238 50 0 EIAARN Cc1cccc(N2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c1C ZINC000001457057 563390249 /nfs/dbraw/zinc/39/02/49/563390249.db2.gz KCXMPMOZZBHQGA-SFHVURJKSA-N 0 0 336.479 4.146 50 0 EIAARN CSc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000010540851 563391260 /nfs/dbraw/zinc/39/12/60/563391260.db2.gz PJFZNKZWKQVFPO-UHFFFAOYSA-N 0 0 337.448 4.463 50 0 EIAARN Cc1cc2c3c(c1)-c1c(ssc1=S)C(C)(C)N3C(=O)C2=O ZINC000001752301 563409567 /nfs/dbraw/zinc/40/95/67/563409567.db2.gz RXDNBQWMPNIEBR-UHFFFAOYSA-N 0 0 333.459 4.293 50 0 EIAARN CC(=O)c1ccc(NC(=O)CCCOc2cc(C)ccc2C)cc1 ZINC000001779272 563411576 /nfs/dbraw/zinc/41/15/76/563411576.db2.gz ZMLDGZSRMFCDDI-UHFFFAOYSA-N 0 0 325.408 4.304 50 0 EIAARN OCCNc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc21 ZINC000001801747 563412888 /nfs/dbraw/zinc/41/28/88/563412888.db2.gz FFUJUBIBALMMKV-UHFFFAOYSA-N 0 0 347.443 4.430 50 0 EIAARN CCCCOC(=O)c1ccc(NC(=O)CCOc2ccccc2)cc1 ZINC000001808105 563413121 /nfs/dbraw/zinc/41/31/21/563413121.db2.gz IUSBYOOVIDYVNA-UHFFFAOYSA-N 0 0 341.407 4.051 50 0 biogenic EIAARN CCOC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1 ZINC000001851171 563414417 /nfs/dbraw/zinc/41/44/17/563414417.db2.gz DZLOHEOHWICNIL-QGZVFWFLSA-N 0 0 326.820 4.001 50 0 investigational EIAARN CCCCc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 ZINC000001916359 563416169 /nfs/dbraw/zinc/41/61/69/563416169.db2.gz ULLBDAPWDAUTGB-UHFFFAOYSA-N 0 0 333.457 4.022 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000002120987 563423162 /nfs/dbraw/zinc/42/31/62/563423162.db2.gz RFVBHHPDYTWNSA-UHFFFAOYSA-N 0 0 347.798 4.168 50 0 EIAARN CCCCc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 ZINC000002129271 563423293 /nfs/dbraw/zinc/42/32/93/563423293.db2.gz IHPRBKCYVAPHAI-UXHICEINSA-N 0 0 329.440 4.090 50 0 EIAARN CCCCSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 ZINC000002179068 563425511 /nfs/dbraw/zinc/42/55/11/563425511.db2.gz VVCNNCGZTZPSRU-UHFFFAOYSA-N 0 0 340.448 4.287 50 0 EIAARN O=C(c1ccc(I)cc1)c1cccc(Cl)c1 ZINC000002392544 563431223 /nfs/dbraw/zinc/43/12/23/563431223.db2.gz NSCIJVCHILXIHI-UHFFFAOYSA-N 0 0 342.563 4.176 50 0 EIAARN O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccn1 ZINC000002434398 563432008 /nfs/dbraw/zinc/43/20/08/563432008.db2.gz ZPWYTGYTGKRUPY-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc4ccccc4n3cc21 ZINC000002439284 563432393 /nfs/dbraw/zinc/43/23/93/563432393.db2.gz NRNSVJUGXOSMTR-CYBMUJFWSA-N 0 0 347.805 4.449 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)NCCSCc1ccco1 ZINC000002458471 563432710 /nfs/dbraw/zinc/43/27/10/563432710.db2.gz DMZRUHGVBGVJPM-UHFFFAOYSA-N 0 0 341.885 4.075 50 0 EIAARN CCCCCOc1ccc(-c2n[nH]c(=O)cc2NCCC(C)C)cc1 ZINC000002506167 563434917 /nfs/dbraw/zinc/43/49/17/563434917.db2.gz TXVZASBDLRFAGW-UHFFFAOYSA-N 0 0 343.471 4.464 50 0 EIAARN O=C(c1ccc(Br)cc1)c1cccc(CN2CC=CC2)c1 ZINC000002515392 563436690 /nfs/dbraw/zinc/43/66/90/563436690.db2.gz HNNFZRZVUSIXLO-UHFFFAOYSA-N 0 0 342.236 4.052 50 0 EIAARN CCOC(=O)c1ccc(C(=O)CCc2ccccc2SC)cc1 ZINC000002516604 563437331 /nfs/dbraw/zinc/43/73/31/563437331.db2.gz PJMURAXLSKXQCZ-UHFFFAOYSA-N 0 0 328.433 4.401 50 0 EIAARN O=C(CCNc1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 ZINC000002522088 563439061 /nfs/dbraw/zinc/43/90/61/563439061.db2.gz QPILMQWJZQULLC-UHFFFAOYSA-N 0 0 333.387 4.296 50 0 EIAARN CCOC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000002547887 563440550 /nfs/dbraw/zinc/44/05/50/563440550.db2.gz MQRCEVJUXOYQKL-LBPRGKRZSA-N 0 0 349.789 4.078 50 0 EIAARN Fc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 ZINC000002590529 563443628 /nfs/dbraw/zinc/44/36/28/563443628.db2.gz XKQZWFKOUOFVMD-OAHLLOKOSA-N 0 0 327.750 4.118 50 0 EIAARN CCCC(=O)N[C@@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000002666947 563445554 /nfs/dbraw/zinc/44/55/54/563445554.db2.gz NTRMSLNBZSUNGY-CYBMUJFWSA-N 0 0 337.678 4.328 50 0 EIAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(C)c(C)c1 ZINC000002698858 563446266 /nfs/dbraw/zinc/44/62/66/563446266.db2.gz RAXMGIPQHVALMR-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CCc1ccccc1NC(=O)C(=O)NC1CCC(C(C)(C)CC)CC1 ZINC000002812075 563451927 /nfs/dbraw/zinc/45/19/27/563451927.db2.gz QJYNHOKABDVJJW-UHFFFAOYSA-N 0 0 344.499 4.299 50 0 EIAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1OC ZINC000002820355 563452599 /nfs/dbraw/zinc/45/25/99/563452599.db2.gz UWCBMFDHVJIADB-UHFFFAOYSA-N 0 0 344.386 4.215 50 0 EIAARN CCCCc1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 ZINC000002843899 563454981 /nfs/dbraw/zinc/45/49/81/563454981.db2.gz XKNPTBXEQQZNDR-VAWYXSNFSA-N 0 0 328.437 4.149 50 0 EIAARN CCCCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000002851682 563455645 /nfs/dbraw/zinc/45/56/45/563455645.db2.gz FENAWNBONIWQHI-UHFFFAOYSA-N 0 0 336.435 4.408 50 0 EIAARN Cc1ccc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000002868900 563458750 /nfs/dbraw/zinc/45/87/50/563458750.db2.gz RCQPFGZNOUAREX-GOSISDBHSA-N 0 0 341.476 4.196 50 0 EIAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3ncnn32)cc1 ZINC000002870739 563459041 /nfs/dbraw/zinc/45/90/41/563459041.db2.gz KMNZVUHMUWNSPV-PMACEKPBSA-N 0 0 348.450 4.440 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 ZINC000002879847 563460402 /nfs/dbraw/zinc/46/04/02/563460402.db2.gz HPNJVECNLJPBJK-LBPRGKRZSA-N 0 0 334.213 4.164 50 0 EIAARN CCCCOc1ccc(OCCNC(=O)c2ccccc2Cl)cc1 ZINC000002900778 563462785 /nfs/dbraw/zinc/46/27/85/563462785.db2.gz BFJZYUVRXIEUOO-UHFFFAOYSA-N 0 0 347.842 4.328 50 0 EIAARN COc1cccc(OCCCOc2cccc(Br)c2)c1 ZINC000002983674 563465869 /nfs/dbraw/zinc/46/58/69/563465869.db2.gz VYZWRSVUBLIXIJ-UHFFFAOYSA-N 0 0 337.213 4.306 50 0 EIAARN COc1cc(C=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000002985099 563466440 /nfs/dbraw/zinc/46/64/40/563466440.db2.gz YHGDSFUMNNFHSM-UHFFFAOYSA-N 0 0 328.408 4.263 50 0 EIAARN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000002993537 563468503 /nfs/dbraw/zinc/46/85/03/563468503.db2.gz QSPUVBFDRSNMLS-LLVKDONJSA-N 0 0 345.270 4.265 50 0 EIAARN Cc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)cc1 ZINC000003116642 563472579 /nfs/dbraw/zinc/47/25/79/563472579.db2.gz SNXRGBFTZLPKRH-UHFFFAOYSA-N 0 0 330.796 4.386 50 0 EIAARN CC(C)C[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2[nH]1 ZINC000034896698 563483253 /nfs/dbraw/zinc/48/32/53/563483253.db2.gz IIVRUFAQERDHTG-HSNDNRACSA-N 0 0 333.435 4.480 50 0 EIAARN CCOc1ccc(-c2nc(NC(=O)c3ccco3)sc2C)cc1 ZINC000003554335 563486308 /nfs/dbraw/zinc/48/63/08/563486308.db2.gz ZAGLMUAWQIDGBE-UHFFFAOYSA-N 0 0 328.393 4.363 50 0 EIAARN CCn1c2ccccc2nc1C(O)(c1ccccc1)c1ccccc1 ZINC000003876657 563490127 /nfs/dbraw/zinc/49/01/27/563490127.db2.gz MXXLOVSZWRZIFC-UHFFFAOYSA-N 0 0 328.415 4.340 50 0 EIAARN CSc1ccccc1NC(=O)c1cc(-c2ccccc2O)on1 ZINC000003908585 563491318 /nfs/dbraw/zinc/49/13/18/563491318.db2.gz RLSTWNDXDQKAHC-UHFFFAOYSA-N 0 0 326.377 4.021 50 0 EIAARN O=C1CS[C@H](c2ccccc2)N1CC12CC3CC(CC(C3)C1)C2 ZINC000004015952 563492116 /nfs/dbraw/zinc/49/21/16/563492116.db2.gz YSCLQAMGKQCFAQ-JCFBCRGFSA-N 0 0 327.493 4.477 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc4n[nH]nc4c3)cc2)cc1 ZINC000010556401 563497655 /nfs/dbraw/zinc/49/76/55/563497655.db2.gz ORLLQTQAIHXKNX-UHFFFAOYSA-N 0 0 344.374 4.311 50 0 EIAARN N=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 ZINC000004256674 563498383 /nfs/dbraw/zinc/49/83/83/563498383.db2.gz QAFDENCSJCLATL-UHFFFAOYSA-N 0 0 340.180 4.218 50 0 EIAARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1CCc1ccccc1 ZINC000004316832 563500136 /nfs/dbraw/zinc/50/01/36/563500136.db2.gz YXWBUEYSWMJULC-UHFFFAOYSA-N 0 0 335.790 4.332 50 0 EIAARN Cc1ccccc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000004456907 563502976 /nfs/dbraw/zinc/50/29/76/563502976.db2.gz CQOZKRYYTULKMO-MHWRWJLKSA-N 0 0 342.395 4.240 50 0 EIAARN COc1ccc(-c2noc([C@@H](C)Oc3ccc(C)cc3)n2)cc1OC ZINC000004433151 563502981 /nfs/dbraw/zinc/50/29/81/563502981.db2.gz SBNIKKQKIMKOOP-CYBMUJFWSA-N 0 0 340.379 4.202 50 0 EIAARN CSc1ccccc1C(=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000004525888 563504278 /nfs/dbraw/zinc/50/42/78/563504278.db2.gz KESSGBFNARETNM-UHFFFAOYSA-N 0 0 345.508 4.124 50 0 EIAARN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1 ZINC000004610675 563505801 /nfs/dbraw/zinc/50/58/01/563505801.db2.gz WMJBVUJINOKYGE-SFHVURJKSA-N 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/nfs/dbraw/zinc/51/30/71/563513071.db2.gz HXLMXRCXGRFDPL-UHFFFAOYSA-N 0 0 331.586 4.303 50 0 EIAARN Cc1ccc(-c2nnc(COc3cccc4ccc(C)nc43)o2)cc1 ZINC000004842384 563513082 /nfs/dbraw/zinc/51/30/82/563513082.db2.gz NKYFWDKGUPYLGX-UHFFFAOYSA-N 0 0 331.375 4.481 50 0 EIAARN CCCC[C@@H](CC)C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)CCCC ZINC000004894202 563514544 /nfs/dbraw/zinc/51/45/44/563514544.db2.gz NQBVGWKSYOLZMJ-ZACQAIPSSA-N 0 0 326.525 4.040 50 0 EIAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000004872944 563514675 /nfs/dbraw/zinc/51/46/75/563514675.db2.gz VFZIWAGASKJDNQ-UHFFFAOYSA-N 0 0 349.839 4.232 50 0 EIAARN CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1C ZINC000004884433 563514679 /nfs/dbraw/zinc/51/46/79/563514679.db2.gz QMNIDUAGRSRELS-UHFFFAOYSA-N 0 0 334.419 4.006 50 0 EIAARN Clc1cccc(CNc2ccc(N3CCOCC3)cc2)c1Cl ZINC000004911817 563515046 /nfs/dbraw/zinc/51/50/46/563515046.db2.gz IKLWGFPKZSMFSY-UHFFFAOYSA-N 0 0 337.250 4.442 50 0 EIAARN Clc1ccc(-c2nn3c(nnc3-c3ccco3)s2)cc1Cl ZINC000004938816 563515580 /nfs/dbraw/zinc/51/55/80/563515580.db2.gz JDHICXOSAXJEPK-UHFFFAOYSA-N 0 0 337.191 4.420 50 0 EIAARN COc1cccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 ZINC000004955915 563516301 /nfs/dbraw/zinc/51/63/01/563516301.db2.gz QMVSIWSXZWDYER-HUUCEWRRSA-N 0 0 336.218 4.221 50 0 EIAARN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ncccc1C ZINC000004970513 563516313 /nfs/dbraw/zinc/51/63/13/563516313.db2.gz KSOJUYLDFPFUFR-UHFFFAOYSA-N 0 0 348.468 4.021 50 0 EIAARN O=C1C[C@@H](c2c(Cl)cccc2Cl)c2cc3c(cc2N1)OCO3 ZINC000004986622 563517865 /nfs/dbraw/zinc/51/78/65/563517865.db2.gz KRSGWOWKIQTHTJ-SECBINFHSA-N 0 0 336.174 4.196 50 0 EIAARN CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cccc2)cc1 ZINC000005055314 563520088 /nfs/dbraw/zinc/52/00/88/563520088.db2.gz USVCUDCXTBHPOL-HXUWFJFHSA-N 0 0 334.419 4.309 50 0 EIAARN C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)ON1C ZINC000005211794 563522917 /nfs/dbraw/zinc/52/29/17/563522917.db2.gz LJAMJJBEGUHOSV-SUMWQHHRSA-N 0 0 345.830 4.138 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@@H]3[C@H](O)C[C@H]2C1 ZINC000005227336 563523173 /nfs/dbraw/zinc/52/31/73/563523173.db2.gz YQMXIAABFQDHTC-LDIHBYOFSA-N 0 0 334.500 4.322 50 0 EIAARN CCSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 ZINC000005321525 563526436 /nfs/dbraw/zinc/52/64/36/563526436.db2.gz CIYYORBRSAKZPL-UHFFFAOYSA-N 0 0 330.453 4.116 50 0 EIAARN CC(C)c1noc([C@H](C)S(=O)(=O)Cc2cccc3ccccc32)n1 ZINC000046173754 563528375 /nfs/dbraw/zinc/52/83/75/563528375.db2.gz BWUSXYLDAOGZSF-ZDUSSCGKSA-N 0 0 344.436 4.022 50 0 EIAARN S=c1nc(-c2ccc(Cl)cc2)n(-c2nc3ccccc3s2)[nH]1 ZINC000006000353 563556876 /nfs/dbraw/zinc/55/68/76/563556876.db2.gz SVFZAPRXRSGBHL-UHFFFAOYSA-N 0 0 344.852 4.486 50 0 EIAARN Cc1ccc(NC(=O)CSc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000006233893 563561877 /nfs/dbraw/zinc/56/18/77/563561877.db2.gz LRYQJPMLSKMNFZ-UHFFFAOYSA-N 0 0 347.308 4.421 50 0 EIAARN Cc1cccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1C ZINC000006253092 563562781 /nfs/dbraw/zinc/56/27/81/563562781.db2.gz 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/nfs/dbraw/zinc/57/82/40/563578240.db2.gz ZBESYFBDIGRAOQ-UHFFFAOYSA-N 0 0 328.751 4.282 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)Nc1ccccc1C ZINC000006700576 563579468 /nfs/dbraw/zinc/57/94/68/563579468.db2.gz HTMVNDGQPGIPNV-UHFFFAOYSA-N 0 0 325.437 4.095 50 0 EIAARN CCOc1ccccc1C(=O)Nc1nnc(S[C@H](C)CC)s1 ZINC000006701618 563579807 /nfs/dbraw/zinc/57/98/07/563579807.db2.gz BQSXFAMFAFBXAG-SNVBAGLBSA-N 0 0 337.470 4.080 50 0 EIAARN CCC(=O)Nc1cccc(C(=O)Nc2cccc(Br)c2)c1 ZINC000006703176 563580780 /nfs/dbraw/zinc/58/07/80/563580780.db2.gz NHPLELRLHYWWGK-UHFFFAOYSA-N 0 0 347.212 4.050 50 0 EIAARN CCOc1ccc([C@H]2Sc3ccccc3NC3=COC(=O)C32)cc1 ZINC000006712568 563581541 /nfs/dbraw/zinc/58/15/41/563581541.db2.gz IEJNSGVYJIOYRR-GOSISDBHSA-N 0 0 339.416 4.155 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)C[C@H]2C)cc1 ZINC000006714879 563582003 /nfs/dbraw/zinc/58/20/03/563582003.db2.gz CWPBXBLBOHQYOY-OAHLLOKOSA-N 0 0 343.858 4.391 50 0 EIAARN COc1cc(-c2nc3cnccn3c2Nc2ccccc2C)ccc1O ZINC000006732861 563584309 /nfs/dbraw/zinc/58/43/09/563584309.db2.gz QJNKUGANORWXIB-UHFFFAOYSA-N 0 0 346.390 4.163 50 0 EIAARN Cc1nc(C2(NC(=O)Nc3c(C)cc(C)cc3Cl)CCCC2)no1 ZINC000071911722 563586373 /nfs/dbraw/zinc/58/63/73/563586373.db2.gz HPVDLXUPOKLFOJ-UHFFFAOYSA-N 0 0 348.834 4.239 50 0 EIAARN O=C(CC(F)(F)F)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000043074253 563592674 /nfs/dbraw/zinc/59/26/74/563592674.db2.gz WRANJGJWHNGAPO-UHFFFAOYSA-N 0 0 337.301 4.222 50 0 EIAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000007052229 563594305 /nfs/dbraw/zinc/59/43/05/563594305.db2.gz KQWVKRKQMWRCIO-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1 ZINC000002653701 563599097 /nfs/dbraw/zinc/59/90/97/563599097.db2.gz DBJNELFCNXRFPV-UHFFFAOYSA-N 0 0 329.400 4.213 50 0 EIAARN CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 ZINC000007342053 563599796 /nfs/dbraw/zinc/59/97/96/563599796.db2.gz FUKKJPDJIVPUIP-DOMZBBRYSA-N 0 0 339.391 4.067 50 0 EIAARN O=C(Nc1ccccc1-c1ccncc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097375011 563600393 /nfs/dbraw/zinc/60/03/93/563600393.db2.gz GVCIFLPVIBYHJN-IBGZPJMESA-N 0 0 347.422 4.231 50 0 EIAARN COc1ccc(-c2cn(-c3ccc(F)cc3)c(=S)[nH]2)cc1OC ZINC000002689232 563600873 /nfs/dbraw/zinc/60/08/73/563600873.db2.gz DNFQCMRPYUSOAT-UHFFFAOYSA-N 0 0 330.384 4.358 50 0 EIAARN O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc(F)cc1 ZINC000002694669 563602081 /nfs/dbraw/zinc/60/20/81/563602081.db2.gz FRZJSTCALCJFPK-UHFFFAOYSA-N 0 0 342.347 4.493 50 0 EIAARN CCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000002721481 563606397 /nfs/dbraw/zinc/60/63/97/563606397.db2.gz YZUJQRNWNNIJMW-UHFFFAOYSA-N 0 0 341.842 4.072 50 0 EIAARN CCn1nc(C)c2c1nc(-c1ccc3c(c1)OCO3)cc2C(F)F ZINC000002732689 563609452 /nfs/dbraw/zinc/60/94/52/563609452.db2.gz LTMNHIDJDPITJU-UHFFFAOYSA-N 0 0 331.322 4.093 50 0 EIAARN COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc(OC)c1 ZINC000002762588 563610195 /nfs/dbraw/zinc/61/01/95/563610195.db2.gz FJGSDMOHZQUDDT-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1CCCC1 ZINC000002762967 563610405 /nfs/dbraw/zinc/61/04/05/563610405.db2.gz OTWBBXBWYNRKFX-UHFFFAOYSA-N 0 0 347.411 4.470 50 0 EIAARN C[S@](=O)Cc1cccc(NCc2sccc2Br)c1 ZINC000097378306 563611620 /nfs/dbraw/zinc/61/16/20/563611620.db2.gz XRLSPOHDLBEZAJ-GOSISDBHSA-N 0 0 344.299 4.001 50 0 EIAARN Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000002785986 563613130 /nfs/dbraw/zinc/61/31/30/563613130.db2.gz NMPNSWXPMITRFR-RYUDHWBXSA-N 0 0 342.187 4.317 50 0 EIAARN COc1ccccc1-c1cc(C(F)(F)F)n2ncc(Cl)c2n1 ZINC000002770822 563614228 /nfs/dbraw/zinc/61/42/28/563614228.db2.gz YWVCWSZEFQVQOY-UHFFFAOYSA-N 0 0 327.693 4.077 50 0 EIAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cn(C)c2ccccc12 ZINC000008031745 563618359 /nfs/dbraw/zinc/61/83/59/563618359.db2.gz YANCOAQUCJZLAR-UHFFFAOYSA-N 0 0 346.352 4.469 50 0 EIAARN Cc1ccc(C)c2sc(NC(=O)c3ccc4nsnc4c3)nc21 ZINC000008072109 563620766 /nfs/dbraw/zinc/62/07/66/563620766.db2.gz ANCZMTLMDSCOKV-UHFFFAOYSA-N 0 0 340.433 4.170 50 0 EIAARN CC(C)CNC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000008188657 563623226 /nfs/dbraw/zinc/62/32/26/563623226.db2.gz PUQGNQIRAMGAEY-UHFFFAOYSA-N 0 0 336.391 4.071 50 0 EIAARN O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc2ccccc2c1 ZINC000008674506 563634932 /nfs/dbraw/zinc/63/49/32/563634932.db2.gz XWGQFAKOTBGARD-UHFFFAOYSA-N 0 0 334.400 4.189 50 0 EIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([C@@H](C)O)c1 ZINC000008714215 563636431 /nfs/dbraw/zinc/63/64/31/563636431.db2.gz VRGAXDURPYISGQ-CHWSQXEVSA-N 0 0 333.815 4.108 50 0 EIAARN CCc1c(C(=O)Nc2cccc3ccccc32)cnn1-c1ccccn1 ZINC000008715240 563636972 /nfs/dbraw/zinc/63/69/72/563636972.db2.gz FQKYDRCDMQVWKD-UHFFFAOYSA-N 0 0 342.402 4.235 50 0 EIAARN CCc1c(C(=O)Nc2ccc3ccccc3c2)cnn1-c1ccccn1 ZINC000008715241 563637012 /nfs/dbraw/zinc/63/70/12/563637012.db2.gz WSRHXKYXPMHEBH-UHFFFAOYSA-N 0 0 342.402 4.235 50 0 EIAARN COCCOc1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000008723197 563637598 /nfs/dbraw/zinc/63/75/98/563637598.db2.gz JUCZJIJKTFPDTD-UHFFFAOYSA-N 0 0 335.403 4.046 50 0 EIAARN O=C(Nc1nnc(Cc2ccccc2)s1)Nc1cccc(Cl)c1 ZINC000008742836 563638833 /nfs/dbraw/zinc/63/88/33/563638833.db2.gz XBGUOJJCPZDUSD-UHFFFAOYSA-N 0 0 344.827 4.426 50 0 EIAARN Nc1c2cccnc2sc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000008788337 563639914 /nfs/dbraw/zinc/63/99/14/563639914.db2.gz AMPGROBZYRDLHG-UHFFFAOYSA-N 0 0 338.219 4.438 50 0 EIAARN CCCCNC(=O)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000008844288 563640370 /nfs/dbraw/zinc/64/03/70/563640370.db2.gz ZOYLJECVCQFJSL-UHFFFAOYSA-N 0 0 347.418 4.046 50 0 EIAARN O=C(NC1CCCCC1)[C@H](Sc1ccccn1)c1ccccc1 ZINC000008814479 563640414 /nfs/dbraw/zinc/64/04/14/563640414.db2.gz XGBXCVBHBMJLQA-GOSISDBHSA-N 0 0 326.465 4.364 50 0 EIAARN C[C@H](Cc1nnc(NC(=O)c2cccs2)s1)c1ccccc1 ZINC000009095388 563641439 /nfs/dbraw/zinc/64/14/39/563641439.db2.gz HOIKOCHZQOGIET-LLVKDONJSA-N 0 0 329.450 4.198 50 0 EIAARN O=C(Nc1nnc(Cc2ccccc2F)s1)Nc1ccc(F)cc1 ZINC000009045277 563641475 /nfs/dbraw/zinc/64/14/75/563641475.db2.gz DQMIUQLNYBGULW-UHFFFAOYSA-N 0 0 346.362 4.051 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1nc2ccccc2s1 ZINC000009087565 563641518 /nfs/dbraw/zinc/64/15/18/563641518.db2.gz YHCYRSIQRHIXTI-UHFFFAOYSA-N 0 0 334.400 4.467 50 0 EIAARN Cc1ccc(CN(Cc2ccco2)C(=O)COc2cccc(C)c2)o1 ZINC000009204729 563642689 /nfs/dbraw/zinc/64/26/89/563642689.db2.gz TVWPFUKOIDECNZ-UHFFFAOYSA-N 0 0 339.391 4.097 50 0 EIAARN Cc1ccc(CSc2nnc3n2CCN3c2ccc(F)cc2)cc1 ZINC000009574095 563644380 /nfs/dbraw/zinc/64/43/80/563644380.db2.gz JNDOJTANGHUARU-UHFFFAOYSA-N 0 0 340.427 4.170 50 0 EIAARN CSc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)cc1 ZINC000009667348 563644772 /nfs/dbraw/zinc/64/47/72/563644772.db2.gz FOLIEAHZKHQPGD-SNVBAGLBSA-N 0 0 342.489 4.498 50 0 EIAARN CCc1cccc2sc(NC(=O)c3cc(OC)cc(OC)c3)nc21 ZINC000004325751 563646375 /nfs/dbraw/zinc/64/63/75/563646375.db2.gz UAONGMQLDRAJES-UHFFFAOYSA-N 0 0 342.420 4.128 50 0 EIAARN C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)c1c[nH]c2ccccc21 ZINC000004332186 563649618 /nfs/dbraw/zinc/64/96/18/563649618.db2.gz UZFNOCXXEHGEBI-LBPRGKRZSA-N 0 0 333.343 4.342 50 0 EIAARN CC[C@@H](Nc1nncc(-c2ccccc2)n1)c1nc2cc(C)ccc2[nH]1 ZINC000011664293 563650355 /nfs/dbraw/zinc/65/03/55/563650355.db2.gz FAYHTWYTKGKAAM-OAHLLOKOSA-N 0 0 344.422 4.287 50 0 EIAARN CCCCCOc1ccc(S(=O)(=O)NC(C)C)c2ccccc12 ZINC000011614127 563650415 /nfs/dbraw/zinc/65/04/15/563650415.db2.gz WDLOUISMJZFMIE-UHFFFAOYSA-N 0 0 335.469 4.096 50 0 EIAARN Cc1c(-c2nnc(-c3ccccc3C)o2)nnn1-c1ccc(C)cc1C ZINC000011692831 563650759 /nfs/dbraw/zinc/65/07/59/563650759.db2.gz AUOIMMRDANCPJA-UHFFFAOYSA-N 0 0 345.406 4.218 50 0 EIAARN O=C(c1ccc2ncccc2c1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000011821720 563651479 /nfs/dbraw/zinc/65/14/79/563651479.db2.gz SZVJEXULJYSYPZ-IBGZPJMESA-N 0 0 349.409 4.091 50 0 EIAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000012138247 563654322 /nfs/dbraw/zinc/65/43/22/563654322.db2.gz MADXEUMTBKLHBE-LBPRGKRZSA-N 0 0 330.815 4.121 50 0 EIAARN COc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(C)c(C)c2)C1 ZINC000012308622 563657624 /nfs/dbraw/zinc/65/76/24/563657624.db2.gz DDCXWWDXJMMEOA-GOSISDBHSA-N 0 0 338.451 4.029 50 0 EIAARN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000012316650 563658007 /nfs/dbraw/zinc/65/80/07/563658007.db2.gz PVIMQTAJSVHBKH-FQEVSTJZSA-N 0 0 345.446 4.172 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000012379748 563659097 /nfs/dbraw/zinc/65/90/97/563659097.db2.gz YVFPSVNPRRGNSB-UHFFFAOYSA-N 0 0 326.440 4.190 50 0 EIAARN CC(C)(C)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)no1 ZINC000012381586 563659427 /nfs/dbraw/zinc/65/94/27/563659427.db2.gz AFBHTBSPASAOGR-UHFFFAOYSA-N 0 0 343.210 4.296 50 0 EIAARN COc1cccc([C@H](C)NC(=O)c2ccc(Br)s2)c1 ZINC000012383783 563659610 /nfs/dbraw/zinc/65/96/10/563659610.db2.gz WBHGYFYMLHUJJJ-VIFPVBQESA-N 0 0 340.242 4.010 50 0 EIAARN COc1cccc([C@@H](C)NC(=O)c2ccc(Br)s2)c1 ZINC000012383784 563659616 /nfs/dbraw/zinc/65/96/16/563659616.db2.gz WBHGYFYMLHUJJJ-SECBINFHSA-N 0 0 340.242 4.010 50 0 EIAARN CC(=O)c1cc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)cs1 ZINC000012438498 563660736 /nfs/dbraw/zinc/66/07/36/563660736.db2.gz MZTHSTWAILSSCV-OAHLLOKOSA-N 0 0 347.505 4.416 50 0 EIAARN O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccon1 ZINC000012439005 563660847 /nfs/dbraw/zinc/66/08/47/563660847.db2.gz QILQULRSUHVKTA-GOSISDBHSA-N 0 0 340.810 4.166 50 0 EIAARN Cc1c([C@H](C)NCc2ccccc2F)cnn1-c1cccc(F)c1 ZINC000012458779 563661492 /nfs/dbraw/zinc/66/14/92/563661492.db2.gz ABLHTXBGHNRBHG-ZDUSSCGKSA-N 0 0 327.378 4.310 50 0 EIAARN CC(C)c1ccc2nc(NC(=O)COc3ccccc3)sc2c1 ZINC000004348703 563663200 /nfs/dbraw/zinc/66/32/00/563663200.db2.gz UQMQAVHHHZTEON-UHFFFAOYSA-N 0 0 326.421 4.437 50 0 EIAARN Cc1ncsc1C(=O)N1CCC[C@@H](CCc2cccc(F)c2)C1 ZINC000012571343 563663404 /nfs/dbraw/zinc/66/34/04/563663404.db2.gz NJCZPNRLXVPEFV-HNNXBMFYSA-N 0 0 332.444 4.076 50 0 EIAARN CCc1sc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1C ZINC000012628672 563666118 /nfs/dbraw/zinc/66/61/18/563666118.db2.gz XKUUOPRRDJTNAD-HNNXBMFYSA-N 0 0 339.464 4.473 50 0 EIAARN OCc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000012650810 563666834 /nfs/dbraw/zinc/66/68/34/563666834.db2.gz UZFZFGRYJBNHFZ-UHFFFAOYSA-N 0 0 340.426 4.216 50 0 EIAARN O=C(Nc1ccccn1)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000012650733 563666840 /nfs/dbraw/zinc/66/68/40/563666840.db2.gz POKZYZVMCVFKJW-AGUYFDCRSA-N 0 0 334.510 4.023 50 0 EIAARN COc1ccc(-c2ccc(SCc3ccccc3)nn2)cc1OC ZINC000004355636 563666873 /nfs/dbraw/zinc/66/68/73/563666873.db2.gz ZRLODLDQZFSBFN-UHFFFAOYSA-N 0 0 338.432 4.453 50 0 EIAARN Cc1ccccc1CSc1ccc(-c2ccc3c(c2)OCO3)nn1 ZINC000004356649 563667551 /nfs/dbraw/zinc/66/75/51/563667551.db2.gz NIKJAKCKBNRSGG-UHFFFAOYSA-N 0 0 336.416 4.473 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c(Cl)c1 ZINC000012749025 563670150 /nfs/dbraw/zinc/67/01/50/563670150.db2.gz YDVIKTGVVSKTQU-CQSZACIVSA-N 0 0 345.826 4.459 50 0 EIAARN CCOc1cc2c(cc1NC(=O)Cc1ccc(Cl)cc1)O[C@@H](C)C2 ZINC000012787853 563670767 /nfs/dbraw/zinc/67/07/67/563670767.db2.gz RJVNOAZJGIDMPY-LBPRGKRZSA-N 0 0 345.826 4.243 50 0 EIAARN C[C@H](NC(=O)[C@H](C)N1CCc2sccc2[C@@H]1C)c1ccc(F)cc1 ZINC000012791830 563671518 /nfs/dbraw/zinc/67/15/18/563671518.db2.gz CGICDSNEXCUKLZ-IHRRRGAJSA-N 0 0 346.471 4.072 50 0 EIAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CCCC3)c12 ZINC000012795598 563672771 /nfs/dbraw/zinc/67/27/71/563672771.db2.gz YFXJRHCLPTZGLO-UHFFFAOYSA-N 0 0 339.370 4.010 50 0 EIAARN Cc1cnc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cn1 ZINC000012803118 563674164 /nfs/dbraw/zinc/67/41/64/563674164.db2.gz NWXRVTQCFDMFMN-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN Cc1ccc(CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000012973081 563679648 /nfs/dbraw/zinc/67/96/48/563679648.db2.gz PAZNCUNOPSTXTN-UHFFFAOYSA-N 0 0 336.357 4.355 50 0 EIAARN O=C(CNc1ccc(F)cc1Cl)N1CCSc2ccccc21 ZINC000012974234 563679864 /nfs/dbraw/zinc/67/98/64/563679864.db2.gz RPZUERJGNCUGRD-UHFFFAOYSA-N 0 0 336.819 4.030 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1csc(-c2ccsc2)n1 ZINC000012980758 563681344 /nfs/dbraw/zinc/68/13/44/563681344.db2.gz ICKNXPMSQQXFQS-UHFFFAOYSA-N 0 0 330.434 4.441 50 0 EIAARN COc1ccc(-c2csc(NC3CC3)n2)cc1Br ZINC000012996891 563683419 /nfs/dbraw/zinc/68/34/19/563683419.db2.gz ULNYOSBGBGJMKD-UHFFFAOYSA-N 0 0 325.231 4.156 50 0 EIAARN Cc1ccccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 ZINC000012998760 563684164 /nfs/dbraw/zinc/68/41/64/563684164.db2.gz BATPNLFFQRIYEU-UHFFFAOYSA-N 0 0 340.448 4.290 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)N2CCc3ccccc32)cc1OC ZINC000013021976 563685404 /nfs/dbraw/zinc/68/54/04/563685404.db2.gz VFKPMWGBSKNNJB-UHFFFAOYSA-N 0 0 345.826 4.340 50 0 EIAARN Cc1ccc(C)c(OCCSCCC(=O)Nc2ccccc2)c1 ZINC000013017553 563685416 /nfs/dbraw/zinc/68/54/16/563685416.db2.gz HQPYVKBRWCMUFF-UHFFFAOYSA-N 0 0 329.465 4.444 50 0 EIAARN CSc1ccc(CN(C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000013095686 563687631 /nfs/dbraw/zinc/68/76/31/563687631.db2.gz OANXKNCNSAVXCF-UHFFFAOYSA-N 0 0 334.872 4.132 50 0 EIAARN COc1cc(OC)c(NC(=O)c2csc(C)c2C)cc1Cl ZINC000013326338 563695282 /nfs/dbraw/zinc/69/52/82/563695282.db2.gz VKDYUEMCRHPXMB-UHFFFAOYSA-N 0 0 325.817 4.288 50 0 EIAARN CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCCc4ccccc43)c2C1 ZINC000013363810 563697061 /nfs/dbraw/zinc/69/70/61/563697061.db2.gz ZVKYXDTXVCLQCA-OAHLLOKOSA-N 0 0 338.451 4.419 50 0 EIAARN CC(C)N(C(=O)CSCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000004426963 563702916 /nfs/dbraw/zinc/70/29/16/563702916.db2.gz HULNNEMXQWHPDU-UHFFFAOYSA-N 0 0 339.464 4.238 50 0 EIAARN c1csc(-c2nn3c(nnc3-c3ccc4ccccc4n3)s2)c1 ZINC000013692635 563712464 /nfs/dbraw/zinc/71/24/64/563712464.db2.gz UFRPVNRJROURQB-UHFFFAOYSA-N 0 0 335.417 4.130 50 0 EIAARN Cc1cnc(NC(=O)c2sc(-c3ccc(C)cc3)nc2C)s1 ZINC000013719667 563716062 /nfs/dbraw/zinc/71/60/62/563716062.db2.gz VQJJOKANRYHFTA-UHFFFAOYSA-N 0 0 329.450 4.444 50 0 EIAARN O=C([O-])c1cccc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)o2)c1 ZINC000013730379 563719470 /nfs/dbraw/zinc/71/94/70/563719470.db2.gz VWRGFHZBGYJAJY-UHFFFAOYSA-N 0 0 325.339 4.074 50 0 EIAARN Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000013744453 563720196 /nfs/dbraw/zinc/72/01/96/563720196.db2.gz CXYJDHBAMDBSJV-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000032739235 563720959 /nfs/dbraw/zinc/72/09/59/563720959.db2.gz QGAHTJLHCGKZSO-UHFFFAOYSA-N 0 0 338.329 4.459 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=S)Nc2cc(Cl)ccc2C)cc1 ZINC000013813686 563724447 /nfs/dbraw/zinc/72/44/47/563724447.db2.gz ALVRJMTXZBBVPJ-UHFFFAOYSA-N 0 0 347.871 4.440 50 0 EIAARN COc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1OC ZINC000004479324 563729122 /nfs/dbraw/zinc/72/91/22/563729122.db2.gz WMWUBQUWQSSRBS-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 ZINC000004479466 563729624 /nfs/dbraw/zinc/72/96/24/563729624.db2.gz GDGRKCSSQBRKAK-UHFFFAOYSA-N 0 0 337.379 4.004 50 0 EIAARN COc1cccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1OC ZINC000013984487 563734350 /nfs/dbraw/zinc/73/43/50/563734350.db2.gz FEAIIDRWEDLWAY-UHFFFAOYSA-N 0 0 341.388 4.223 50 0 EIAARN O=C(CSc1ccccc1)Nc1nc2c(cc(F)cc2F)s1 ZINC000004496690 563734573 /nfs/dbraw/zinc/73/45/73/563734573.db2.gz GFIPYQVSNMXMRI-UHFFFAOYSA-N 0 0 336.388 4.305 50 0 EIAARN COc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 ZINC000014019190 563735961 /nfs/dbraw/zinc/73/59/61/563735961.db2.gz UBNNOWQLVIAMTL-UHFFFAOYSA-N 0 0 330.434 4.061 50 0 EIAARN Cc1cc(CSc2ccccc2C(=O)NC2CCCCC2)on1 ZINC000014092940 563739183 /nfs/dbraw/zinc/73/91/83/563739183.db2.gz TYAWGLPWZOGRDK-UHFFFAOYSA-N 0 0 330.453 4.338 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000014095664 563740411 /nfs/dbraw/zinc/74/04/11/563740411.db2.gz KEOMQIXZUJUNRS-INIZCTEOSA-N 0 0 333.435 4.194 50 0 EIAARN Cc1ccc(CNC(=O)N(C)Cc2nc3ccccc3s2)cc1F ZINC000014122729 563742795 /nfs/dbraw/zinc/74/27/95/563742795.db2.gz GAODXROHHULPCF-UHFFFAOYSA-N 0 0 343.427 4.085 50 0 EIAARN Cc1nc(Sc2nc(C)nc3scc(-c4ccccc4)c32)n[nH]1 ZINC000014136180 563743645 /nfs/dbraw/zinc/74/36/45/563743645.db2.gz YOBIOCCFGVYMFD-UHFFFAOYSA-N 0 0 339.449 4.244 50 0 EIAARN O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(Cl)c1 ZINC000014136821 563744080 /nfs/dbraw/zinc/74/40/80/563744080.db2.gz MCNLDZHMRJYNGB-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1 ZINC000014141202 563745142 /nfs/dbraw/zinc/74/51/42/563745142.db2.gz XEQJTTVQOVDSBJ-UHFFFAOYSA-N 0 0 346.434 4.314 50 0 EIAARN Cc1c2ccccc2oc1C(=O)CSc1nnc2n1CCCCC2 ZINC000014141881 563745219 /nfs/dbraw/zinc/74/52/19/563745219.db2.gz MEJAJNYOABKYTD-UHFFFAOYSA-N 0 0 341.436 4.034 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)c(F)c1F ZINC000014171204 563747169 /nfs/dbraw/zinc/74/71/69/563747169.db2.gz ZOAUYFWNHCTFJD-UHFFFAOYSA-N 0 0 349.337 4.183 50 0 EIAARN C[C@H]1c2ccsc2CCN1C(=O)COc1cccc2ccccc21 ZINC000014183178 563747788 /nfs/dbraw/zinc/74/77/88/563747788.db2.gz VAUALAXETWJXBN-AWEZNQCLSA-N 0 0 337.444 4.426 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)C[C@H](C)c1ccccc1 ZINC000004516132 563752081 /nfs/dbraw/zinc/75/20/81/563752081.db2.gz YSQDXCVKOOKKKM-AWEZNQCLSA-N 0 0 335.403 4.396 50 0 EIAARN COc1ccccc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000014241512 563753934 /nfs/dbraw/zinc/75/39/34/563753934.db2.gz CEDXDAYUBGTISW-CQSZACIVSA-N 0 0 333.840 4.316 50 0 EIAARN C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014241018 563754018 /nfs/dbraw/zinc/75/40/18/563754018.db2.gz WDLMQNDLMOJFFU-GFCCVEGCSA-N 0 0 341.432 4.023 50 0 EIAARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000014244067 563754349 /nfs/dbraw/zinc/75/43/49/563754349.db2.gz WDTZGLSLDUFCPV-MNOVXSKESA-N 0 0 339.769 4.263 50 0 EIAARN CCc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000014247066 563755051 /nfs/dbraw/zinc/75/50/51/563755051.db2.gz UMVDPIZETVAQGV-HXUWFJFHSA-N 0 0 334.419 4.152 50 0 EIAARN CCCCc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000014254713 563755925 /nfs/dbraw/zinc/75/59/25/563755925.db2.gz PMAASPHRZWVXNC-UHFFFAOYSA-N 0 0 325.380 4.108 50 0 EIAARN CCOc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 ZINC000014255293 563755993 /nfs/dbraw/zinc/75/59/93/563755993.db2.gz JLXIQNXVICPWCG-UHFFFAOYSA-N 0 0 337.404 4.045 50 0 EIAARN Cc1cc(C(=O)COc2ccc(F)c(F)c2)c(C)n1-c1nccs1 ZINC000014343160 563758062 /nfs/dbraw/zinc/75/80/62/563758062.db2.gz MXMMMUVJBZGHIY-UHFFFAOYSA-N 0 0 348.374 4.091 50 0 EIAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000014367517 563758525 /nfs/dbraw/zinc/75/85/25/563758525.db2.gz COIUPCGBUOCGOH-GFCCVEGCSA-N 0 0 346.789 4.009 50 0 EIAARN COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(=O)oc21 ZINC000014493203 563760139 /nfs/dbraw/zinc/76/01/39/563760139.db2.gz SGBCTCMXOLWRSR-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN CC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000004540053 563761307 /nfs/dbraw/zinc/76/13/07/563761307.db2.gz GVRXXJCQPAWUMD-UHFFFAOYSA-N 0 0 334.750 4.365 50 0 EIAARN COc1ccc(CN(C)C(=O)c2ccc3c4c(cccc42)CC3)cc1F ZINC000014777362 563764152 /nfs/dbraw/zinc/76/41/52/563764152.db2.gz YVQRAUSDUZCQHA-UHFFFAOYSA-N 0 0 349.405 4.358 50 0 EIAARN Cc1csc(NC(=O)c2c3cc(C)ccc3nc3c2CCCC3)n1 ZINC000015007248 563771478 /nfs/dbraw/zinc/77/14/78/563771478.db2.gz WAUVWCOKXMIZQU-UHFFFAOYSA-N 0 0 337.448 4.439 50 0 EIAARN CN(Cc1nc(-c2ccc(F)cc2)no1)[C@H]1CCCc2ccccc21 ZINC000015291660 563781381 /nfs/dbraw/zinc/78/13/81/563781381.db2.gz ARLYNYZZAHGRNW-SFHVURJKSA-N 0 0 337.398 4.385 50 0 EIAARN Clc1ccc(N=C2NN=C(c3ccc[nH]3)CS2)cc1Cl ZINC000015405553 563784185 /nfs/dbraw/zinc/78/41/85/563784185.db2.gz PWSLNLCTJMYFEW-UHFFFAOYSA-N 0 0 325.224 4.241 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000004570487 563786505 /nfs/dbraw/zinc/78/65/05/563786505.db2.gz MBIRVMDTBKQGGA-UHFFFAOYSA-N 0 0 343.448 4.283 50 0 EIAARN C[C@@H](Nc1nc2ccccc2s1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000032901315 563786962 /nfs/dbraw/zinc/78/69/62/563786962.db2.gz FAMMOKSCSXEDSV-QWHCGFSZSA-N 0 0 337.448 4.075 50 0 EIAARN O=C(Nc1nc2c(ccc3ccccc23)s1)[C@@H]1Cc2ccccc2O1 ZINC000015588662 563788043 /nfs/dbraw/zinc/78/80/43/563788043.db2.gz ZQNCYCWYQUAQPB-INIZCTEOSA-N 0 0 346.411 4.392 50 0 EIAARN COc1cccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1 ZINC000015838527 563794373 /nfs/dbraw/zinc/79/43/73/563794373.db2.gz CZFNKPQKZBSLLI-UHFFFAOYSA-N 0 0 327.767 4.277 50 0 EIAARN CCCOc1ccc(C(=O)Nc2ccc(OC)c3ncccc23)cc1 ZINC000015840623 563795533 /nfs/dbraw/zinc/79/55/33/563795533.db2.gz QURAFLGNKVMKTA-UHFFFAOYSA-N 0 0 336.391 4.285 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2ccc3nsnc3c2)c1 ZINC000015841289 563796219 /nfs/dbraw/zinc/79/62/19/563796219.db2.gz KNVXVCXGCNPTBI-UHFFFAOYSA-N 0 0 327.409 4.123 50 0 EIAARN CCc1cc([C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)on1 ZINC000015866687 563797333 /nfs/dbraw/zinc/79/73/33/563797333.db2.gz BFVQBBHIANXHQA-SOZFHFLDSA-N 0 0 328.456 4.117 50 0 EIAARN O=C(CSc1nc2ncccc2o1)Nc1cccc2ccccc21 ZINC000015867752 563799365 /nfs/dbraw/zinc/79/93/65/563799365.db2.gz DYTGCJLNVNGPPV-UHFFFAOYSA-N 0 0 335.388 4.107 50 0 EIAARN C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1ccccc1Cl ZINC000016046731 563802821 /nfs/dbraw/zinc/80/28/21/563802821.db2.gz YCOZMHIEVHOUNZ-LLVKDONJSA-N 0 0 327.767 4.100 50 0 EIAARN C[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccccc2Cl)no1 ZINC000016381922 563809674 /nfs/dbraw/zinc/80/96/74/563809674.db2.gz AAJNZQBYBSFGEM-GFCCVEGCSA-N 0 0 325.799 4.341 50 0 EIAARN O=C(Nc1cccc(Br)c1)Nc1ccc(F)cc1F ZINC000016386239 563810182 /nfs/dbraw/zinc/81/01/82/563810182.db2.gz XJRRBIXAXSLPHU-UHFFFAOYSA-N 0 0 327.128 4.371 50 0 EIAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1c(Cl)nc2ccccn21 ZINC000016407174 563810497 /nfs/dbraw/zinc/81/04/97/563810497.db2.gz FZQBVIQTVKARRA-FLIBITNWSA-N 0 0 330.174 4.134 50 0 EIAARN CCCCC(=O)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000016488236 563813330 /nfs/dbraw/zinc/81/33/30/563813330.db2.gz SPZJCMGZWWXHGN-UHFFFAOYSA-N 0 0 348.446 4.247 50 0 EIAARN O=S(=O)(Cc1csc(C2CCCCC2)n1)Cc1ccccc1 ZINC000046189944 563818092 /nfs/dbraw/zinc/81/80/92/563818092.db2.gz AIFAYZFPBPDLEQ-UHFFFAOYSA-N 0 0 335.494 4.306 50 0 EIAARN CCOc1ccc(Nc2ncccc2C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000016642413 563818428 /nfs/dbraw/zinc/81/84/28/563818428.db2.gz UUTRFEGSZZFMQK-OAHLLOKOSA-N 0 0 339.439 4.096 50 0 EIAARN CC[C@@H](C(=O)Nc1nnc(-c2ccccc2F)s1)c1ccccc1 ZINC000017056432 563830301 /nfs/dbraw/zinc/83/03/01/563830301.db2.gz XSKZCLZLZOUYPW-CYBMUJFWSA-N 0 0 341.411 4.477 50 0 EIAARN N=c1oc2ccccc2cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000017068496 563832431 /nfs/dbraw/zinc/83/24/31/563832431.db2.gz XOMLSJOBINHRCW-UHFFFAOYSA-N 0 0 333.174 4.471 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3N2CCC[C@H](C)C2)cc1Cl ZINC000017120860 563837145 /nfs/dbraw/zinc/83/71/45/563837145.db2.gz IFWBVMSZFZLUAG-LBPRGKRZSA-N 0 0 341.846 4.014 50 0 EIAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1C(=O)OC ZINC000017154548 563838859 /nfs/dbraw/zinc/83/88/59/563838859.db2.gz VSDABMGPIZITIG-UHFFFAOYSA-N 0 0 349.386 4.277 50 0 EIAARN O=C(Nc1ccc2ccccc2c1)c1ncn(-c2ccc(Cl)cc2)n1 ZINC000017193717 563839736 /nfs/dbraw/zinc/83/97/36/563839736.db2.gz PWQCZXMACVKCEJ-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN O=C1CS[C@H](c2cccc(Cl)c2)N1c1ccc(F)cc1F ZINC000017198197 563840293 /nfs/dbraw/zinc/84/02/93/563840293.db2.gz UVLWIHOXQWQKLX-OAHLLOKOSA-N 0 0 325.767 4.397 50 0 EIAARN Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 ZINC000017976246 563846694 /nfs/dbraw/zinc/84/66/94/563846694.db2.gz VNJWARKBEPNOEI-OALUTQOASA-N 0 0 333.387 4.243 50 0 EIAARN COc1cccc(NC(=O)Nc2nnc(-c3cccc(C)c3)s2)c1 ZINC000017970015 563846761 /nfs/dbraw/zinc/84/67/61/563846761.db2.gz QWHDLPHDUKYVTR-UHFFFAOYSA-N 0 0 340.408 4.166 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000018077788 563847948 /nfs/dbraw/zinc/84/79/48/563847948.db2.gz SYPMORGLIPPKAD-IYBDPMFKSA-N 0 0 336.435 4.057 50 0 EIAARN Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)c(C)c1 ZINC000018157882 563850062 /nfs/dbraw/zinc/85/00/62/563850062.db2.gz PACPHBIBQHVQKU-AWEZNQCLSA-N 0 0 333.391 4.343 50 0 EIAARN Cc1cccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)c1 ZINC000018284334 563851844 /nfs/dbraw/zinc/85/18/44/563851844.db2.gz VBXFSEHFHNVPRL-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000018324139 563852311 /nfs/dbraw/zinc/85/23/11/563852311.db2.gz KFWBPLWYFUKRBD-USTZCAOPSA-N 0 0 341.838 4.356 50 0 EIAARN Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000010661188 563856987 /nfs/dbraw/zinc/85/69/87/563856987.db2.gz QKKHIAGKSVAVBR-UHFFFAOYSA-N 0 0 335.407 4.010 50 0 EIAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc(F)cc(F)c1 ZINC000010668408 563857024 /nfs/dbraw/zinc/85/70/24/563857024.db2.gz CYNSNUKSDJACDG-UHFFFAOYSA-N 0 0 346.308 4.330 50 0 EIAARN S=C1NCN(C2CCCCC2)CN1c1cc(Cl)ccc1Cl ZINC000020191550 563858762 /nfs/dbraw/zinc/85/87/62/563858762.db2.gz YAHXQECMALAGRS-UHFFFAOYSA-N 0 0 344.311 4.238 50 0 EIAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccnc1 ZINC000010691883 563860064 /nfs/dbraw/zinc/86/00/64/563860064.db2.gz GKIGJAYTOGXXHY-IBGZPJMESA-N 0 0 341.414 4.125 50 0 EIAARN C[C@@H](NC(=O)N(C)Cc1ccc(Br)o1)c1cccs1 ZINC000043289978 563861803 /nfs/dbraw/zinc/86/18/03/563861803.db2.gz OTUPIPIGEZXBIL-SECBINFHSA-N 0 0 343.246 4.006 50 0 EIAARN COc1cccc(-c2nc(COC(=O)C3CCCC3)cs2)c1OC ZINC000010809729 563861812 /nfs/dbraw/zinc/86/18/12/563861812.db2.gz DSEWSLZBHDPMCV-UHFFFAOYSA-N 0 0 347.436 4.061 50 0 EIAARN CCOC(=O)C1CCN(c2cc(C)c3cccc(SC)c3n2)CC1 ZINC000005716843 563863785 /nfs/dbraw/zinc/86/37/85/563863785.db2.gz FPRLMKFKKMRFCD-UHFFFAOYSA-N 0 0 344.480 4.045 50 0 EIAARN c1cc(-c2noc(CNc3ccccc3N3CCCCC3)n2)cs1 ZINC000023004023 563865560 /nfs/dbraw/zinc/86/55/60/563865560.db2.gz ANFRFWFEANLRCB-UHFFFAOYSA-N 0 0 340.452 4.401 50 0 EIAARN Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)o1 ZINC000175581002 563866522 /nfs/dbraw/zinc/86/65/22/563866522.db2.gz WTWOOYOKHLNHOO-UHFFFAOYSA-N 0 0 346.814 4.038 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(C)cc(C)c1 ZINC000010903425 563866919 /nfs/dbraw/zinc/86/69/19/563866919.db2.gz GSGHAHNHVKGHHR-UHFFFAOYSA-N 0 0 347.462 4.095 50 0 EIAARN O=C(CSc1nc2ccccc2s1)N1CCc2sccc2C1 ZINC000010922746 563867185 /nfs/dbraw/zinc/86/71/85/563867185.db2.gz FWWNHNPMDGCHOI-UHFFFAOYSA-N 0 0 346.502 4.035 50 0 EIAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCc2sccc2C1 ZINC000010924349 563867589 /nfs/dbraw/zinc/86/75/89/563867589.db2.gz PQBLISYBEHAKMI-UHFFFAOYSA-N 0 0 340.473 4.379 50 0 EIAARN CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000010943578 563870757 /nfs/dbraw/zinc/87/07/57/563870757.db2.gz VJTITRPXAXOVGD-LBPRGKRZSA-N 0 0 345.830 4.046 50 0 EIAARN Cc1cc(C)n(-c2ccccc2NC(=O)CCc2ccc(C)cc2)n1 ZINC000025014109 563879693 /nfs/dbraw/zinc/87/96/93/563879693.db2.gz AUQSHUZDZVWWKX-UHFFFAOYSA-N 0 0 333.435 4.369 50 0 EIAARN O=C(Nc1ccccc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027355229 563895301 /nfs/dbraw/zinc/89/53/01/563895301.db2.gz QMAMOHJQHBWNET-IBGZPJMESA-N 0 0 346.434 4.131 50 0 EIAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccccc2)no1 ZINC000027740244 563899082 /nfs/dbraw/zinc/89/90/82/563899082.db2.gz DMXYWGRRPGNRIE-KRWDZBQOSA-N 0 0 340.354 4.277 50 0 EIAARN O=C(NCCc1cccc2cccnc21)Nc1cccc2cccnc21 ZINC000043528883 563901415 /nfs/dbraw/zinc/90/14/15/563901415.db2.gz HLZCZJJMQDGIKG-UHFFFAOYSA-N 0 0 342.402 4.147 50 0 EIAARN C[C@@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(Cl)s1 ZINC000028410592 563902814 /nfs/dbraw/zinc/90/28/14/563902814.db2.gz SYMNZGFDTCAHDB-ZYHUDNBSSA-N 0 0 336.844 4.286 50 0 EIAARN C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)c1ccc(Cl)s1 ZINC000028410604 563902901 /nfs/dbraw/zinc/90/29/01/563902901.db2.gz SYMNZGFDTCAHDB-JQWIXIFHSA-N 0 0 336.844 4.286 50 0 EIAARN CCN(C)c1ccccc1NC(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000072282555 563905617 /nfs/dbraw/zinc/90/56/17/563905617.db2.gz IZQRMDGMRWIFHY-UHFFFAOYSA-N 0 0 340.427 4.054 50 0 EIAARN Cc1ccc(CCCC(=O)Nc2ccc(OCC(C)(C)O)cc2)cc1 ZINC000072290026 563909004 /nfs/dbraw/zinc/90/90/04/563909004.db2.gz QNROGWKFVSLEFV-UHFFFAOYSA-N 0 0 341.451 4.106 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3N)cc2)cc1 ZINC000003081979 563912003 /nfs/dbraw/zinc/91/20/03/563912003.db2.gz ACTWLYBLKUPRPI-UHFFFAOYSA-N 0 0 345.402 4.082 50 0 EIAARN Cc1sc2nc(S[C@@H](C)c3nc(C(C)C)no3)nc(N)c2c1C ZINC000043735032 563912044 /nfs/dbraw/zinc/91/20/44/563912044.db2.gz OBBQNJIFDWDRHH-VIFPVBQESA-N 0 0 349.485 4.250 50 0 EIAARN CCc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)sc1C ZINC000048341624 563914613 /nfs/dbraw/zinc/91/46/13/563914613.db2.gz SBPSUWNPGGEMIA-UHFFFAOYSA-N 0 0 328.359 4.214 50 0 EIAARN CCN(CC)C(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000000131741 563916958 /nfs/dbraw/zinc/91/69/58/563916958.db2.gz XARJLASQFUDACG-UHFFFAOYSA-N 0 0 330.453 4.099 50 0 EIAARN Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000000175684 563916991 /nfs/dbraw/zinc/91/69/91/563916991.db2.gz VNIGZWKVBUFDBO-UHFFFAOYSA-N 0 0 329.812 4.298 50 0 EIAARN COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(OC)c1 ZINC000000464377 563917635 /nfs/dbraw/zinc/91/76/35/563917635.db2.gz ZULKRJYRTVIIOE-UHFFFAOYSA-N 0 0 325.408 4.154 50 0 EIAARN CCOc1ccc(OCc2cccc(C(=O)N(CC)CC)c2)cc1 ZINC000000467800 563917641 /nfs/dbraw/zinc/91/76/41/563917641.db2.gz ASYZTKCBDLULEQ-UHFFFAOYSA-N 0 0 327.424 4.146 50 0 EIAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccs1 ZINC000004033112 563918889 /nfs/dbraw/zinc/91/88/89/563918889.db2.gz KTRIAPGQNXVGQN-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 ZINC000032963895 563919837 /nfs/dbraw/zinc/91/98/37/563919837.db2.gz RKTXNFKANLJIKA-KBXCAEBGSA-N 0 0 342.439 4.186 50 0 EIAARN CCC(C)(C)NC(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000032967748 563920047 /nfs/dbraw/zinc/92/00/47/563920047.db2.gz VJXFKGMJKTZUOG-UHFFFAOYSA-N 0 0 337.261 4.086 50 0 EIAARN C[C@H](SCc1ccccc1)C(=O)N1CC[C@@H]1Cc1ccccc1 ZINC000072311739 563920100 /nfs/dbraw/zinc/92/01/00/563920100.db2.gz GRVUBYRKRNDGTC-QFBILLFUSA-N 0 0 325.477 4.152 50 0 EIAARN Cc1ccc2nc3c(c(C(=O)NOCc4ccccc4)c2c1)CCCC3 ZINC000032986348 563920771 /nfs/dbraw/zinc/92/07/71/563920771.db2.gz CAJBFBKHMQABFX-UHFFFAOYSA-N 0 0 346.430 4.284 50 0 EIAARN Cc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccccc2Cl)no1 ZINC000013494882 563920839 /nfs/dbraw/zinc/92/08/39/563920839.db2.gz SHRNPXXYECTCEH-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000072273903 563920935 /nfs/dbraw/zinc/92/09/35/563920935.db2.gz XRKSPDTYAZJJOC-IKGGRYGDSA-N 0 0 344.455 4.448 50 0 EIAARN CCc1csc(-c2ccc(CNC(=O)Cc3cccs3)cc2)n1 ZINC000097938107 563922670 /nfs/dbraw/zinc/92/26/70/563922670.db2.gz VCWSURCPUNXOTE-UHFFFAOYSA-N 0 0 342.489 4.293 50 0 EIAARN CCc1ccc(C2=NNC(=Nc3cccc(OC)c3)SC2)s1 ZINC000011122930 563931780 /nfs/dbraw/zinc/93/17/80/563931780.db2.gz ZNGVXGJREPWOJJ-UHFFFAOYSA-N 0 0 331.466 4.238 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000051315464 563931796 /nfs/dbraw/zinc/93/17/96/563931796.db2.gz SSOVGYBTPKIQAR-UHFFFAOYSA-N 0 0 341.798 4.381 50 0 EIAARN CCC(CC)C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000060342457 563931877 /nfs/dbraw/zinc/93/18/77/563931877.db2.gz ULUXZUZQPXBZCJ-HNNXBMFYSA-N 0 0 345.418 4.018 50 0 EIAARN O[C@@H]1CCCC[C@@H]1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000060342748 563931882 /nfs/dbraw/zinc/93/18/82/563931882.db2.gz AUURWASIUZNMSJ-LSDHHAIUSA-N 0 0 325.437 4.074 50 0 EIAARN O=C(CSCC(=O)c1ccccc1)Nc1cccc(C(F)F)c1 ZINC000071185590 563931895 /nfs/dbraw/zinc/93/18/95/563931895.db2.gz IZBYTCCXJTUEQX-UHFFFAOYSA-N 0 0 335.375 4.179 50 0 EIAARN CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000051951661 563932063 /nfs/dbraw/zinc/93/20/63/563932063.db2.gz DVTBDRZBNXFPLU-UHFFFAOYSA-N 0 0 326.234 4.353 50 0 EIAARN Cc1oc(-c2ccccc2Cl)cc1C(=O)NCc1ccncc1 ZINC000055099189 563933632 /nfs/dbraw/zinc/93/36/32/563933632.db2.gz XNHKPQCLVHNZJL-UHFFFAOYSA-N 0 0 326.783 4.233 50 0 EIAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cc2cc(C)ccc2nc1C ZINC000055212094 563934033 /nfs/dbraw/zinc/93/40/33/563934033.db2.gz ZOXGZFUCCORFKJ-HNNXBMFYSA-N 0 0 336.439 4.025 50 0 EIAARN CCc1ccccc1NC(=O)c1cccc(NC(=O)c2cccn2C)c1 ZINC000055212010 563934039 /nfs/dbraw/zinc/93/40/39/563934039.db2.gz OQHNYFTWXOFQMN-UHFFFAOYSA-N 0 0 347.418 4.092 50 0 EIAARN CCCN(Cc1cccnc1)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000055271552 563934315 /nfs/dbraw/zinc/93/43/15/563934315.db2.gz RXCOBEDQODESHV-UHFFFAOYSA-N 0 0 328.843 4.205 50 0 EIAARN Cc1ccsc1C(=O)Nc1c(C)cnn1Cc1cccc(F)c1 ZINC000055328006 563934486 /nfs/dbraw/zinc/93/44/86/563934486.db2.gz OZMDIHBXJDMRBQ-UHFFFAOYSA-N 0 0 329.400 4.001 50 0 EIAARN CCCCN(Cc1ccco1)Cc1sc(N(C)C)nc1Cl ZINC000055385689 563934547 /nfs/dbraw/zinc/93/45/47/563934547.db2.gz SRABNGWOMFTENY-UHFFFAOYSA-N 0 0 327.881 4.258 50 0 EIAARN CCCn1ncc(CN(Cc2ccsc2)Cc2ccco2)c1C ZINC000055404314 563934761 /nfs/dbraw/zinc/93/47/61/563934761.db2.gz YBLHXHRLYOACSA-UHFFFAOYSA-N 0 0 329.469 4.458 50 0 EIAARN O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000056344214 563935246 /nfs/dbraw/zinc/93/52/46/563935246.db2.gz PERVUHHJWHZHOX-MRXNPFEDSA-N 0 0 334.778 4.085 50 0 EIAARN CSc1nnc(CN2Cc3ccccc3-c3ccccc3C2)s1 ZINC000060361230 563935406 /nfs/dbraw/zinc/93/54/06/563935406.db2.gz KQIWQJXJWAGNPZ-UHFFFAOYSA-N 0 0 339.489 4.443 50 0 EIAARN CCCCc1ccc(NC(=O)[C@H](c2ccccc2)n2cccn2)cc1 ZINC000057990950 563936171 /nfs/dbraw/zinc/93/61/71/563936171.db2.gz UPVILCWQWAJHSR-FQEVSTJZSA-N 0 0 333.435 4.454 50 0 EIAARN Clc1ccc(SCCSc2nnnn2-c2ccccc2)cc1 ZINC000057995933 563936388 /nfs/dbraw/zinc/93/63/88/563936388.db2.gz WMKCZBXRFZDROT-UHFFFAOYSA-N 0 0 348.884 4.200 50 0 EIAARN Cc1cc2cc(NC(=O)c3ccc4nc(C)c(C)nc4c3)ccc2[nH]1 ZINC000058005019 563936509 /nfs/dbraw/zinc/93/65/09/563936509.db2.gz ZHYFGGQLDCWWAI-UHFFFAOYSA-N 0 0 330.391 4.289 50 0 EIAARN COc1ccccc1-c1noc(CNc2ccc(F)c(Cl)c2)n1 ZINC000011158811 563936591 /nfs/dbraw/zinc/93/65/91/563936591.db2.gz LBKQNZZNNOFLMK-UHFFFAOYSA-N 0 0 333.750 4.150 50 0 EIAARN CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(OC(C)C)nc2)c1 ZINC000058107491 563937568 /nfs/dbraw/zinc/93/75/68/563937568.db2.gz XSDNNGAZQCMORT-HNNXBMFYSA-N 0 0 342.439 4.147 50 0 EIAARN COc1ccc2nc(C)c(C(=O)Nc3c(C)cc(C)nc3C)cc2c1 ZINC000058163416 563938626 /nfs/dbraw/zinc/93/86/26/563938626.db2.gz OVSNQCJAALTNBE-UHFFFAOYSA-N 0 0 335.407 4.124 50 0 EIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1 ZINC000058195256 563939575 /nfs/dbraw/zinc/93/95/75/563939575.db2.gz MMHVDLGECVANQP-NWDGAFQWSA-N 0 0 332.787 4.024 50 0 EIAARN Cc1nc(-c2ccccc2NC(=O)C[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000058225378 563940296 /nfs/dbraw/zinc/94/02/96/563940296.db2.gz OGAQKSDEWRFRFW-GFCCVEGCSA-N 0 0 338.386 4.052 50 0 EIAARN CCOC(=O)CCCSc1nc(-c2ccco2)nc2ccccc21 ZINC000058229953 563940495 /nfs/dbraw/zinc/94/04/95/563940495.db2.gz AXJHTWBQJDHGAZ-UHFFFAOYSA-N 0 0 342.420 4.325 50 0 EIAARN CC(=O)Nc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccc(C)s2)cc1 ZINC000058232157 563940569 /nfs/dbraw/zinc/94/05/69/563940569.db2.gz XVUNGRJQRXNHSY-CEFACKQISA-N 0 0 342.464 4.248 50 0 EIAARN O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccc[nH]c1=S ZINC000058245362 563940658 /nfs/dbraw/zinc/94/06/58/563940658.db2.gz XOUXVQIHVVFJDK-UHFFFAOYSA-N 0 0 327.434 4.484 50 0 EIAARN CC(C)Oc1ccccc1NC(=O)CCC(=O)c1ccc(F)cc1F ZINC000058249313 563940844 /nfs/dbraw/zinc/94/08/44/563940844.db2.gz YLXFJSDOHDVXEP-UHFFFAOYSA-N 0 0 347.361 4.354 50 0 EIAARN CC(C)[C@H](C)N(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C1CC1 ZINC000058262702 563940991 /nfs/dbraw/zinc/94/09/91/563940991.db2.gz FQCWLGBKMSDMSW-LBPRGKRZSA-N 0 0 331.847 4.379 50 0 EIAARN COCc1c2ccccc2oc1C(=O)N(Cc1cccnc1)C(C)C ZINC000058282402 563941676 /nfs/dbraw/zinc/94/16/76/563941676.db2.gz IQFJBLZYGLNGFZ-UHFFFAOYSA-N 0 0 338.407 4.025 50 0 EIAARN Cc1nc(/C=C/C(=O)Nc2ccccc2NCC(F)(F)F)cs1 ZINC000058283088 563941708 /nfs/dbraw/zinc/94/17/08/563941708.db2.gz RHQUAFDOSNXSLL-VOTSOKGWSA-N 0 0 341.358 4.078 50 0 EIAARN C[C@H](NC(=O)c1ccc2nccn2c1)c1ccc(-c2ccccc2)cc1 ZINC000058300416 563941991 /nfs/dbraw/zinc/94/19/91/563941991.db2.gz GLSXZYSRYUNKED-INIZCTEOSA-N 0 0 341.414 4.492 50 0 EIAARN Cc1ccccc1NC(=O)[C@@H](C)Nc1cccc(COC(C)C)c1 ZINC000058304665 563942095 /nfs/dbraw/zinc/94/20/95/563942095.db2.gz AOJRSWGQOYQJPC-MRXNPFEDSA-N 0 0 326.440 4.359 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)C1(c2ccc(C(C)C)cc2)CCC1 ZINC000058315076 563942399 /nfs/dbraw/zinc/94/23/99/563942399.db2.gz LNCVNOYUOCMNQE-UHFFFAOYSA-N 0 0 340.467 4.495 50 0 EIAARN Cc1csc(-c2ccc(C(=O)Nc3ccnn3C(C)C)cc2)n1 ZINC000058324199 563942510 /nfs/dbraw/zinc/94/25/10/563942510.db2.gz MSIBIUMJGQGODW-UHFFFAOYSA-N 0 0 326.425 4.148 50 0 EIAARN COc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(C)C)cs1 ZINC000058343928 563943066 /nfs/dbraw/zinc/94/30/66/563943066.db2.gz LTBWPKNNBJGEIP-HNNXBMFYSA-N 0 0 330.453 4.079 50 0 EIAARN O=C(Nc1ccncc1)c1cc2ccccc2n1Cc1ccccc1F ZINC000058358109 563943675 /nfs/dbraw/zinc/94/36/75/563943675.db2.gz IBTBEZMADOFLPC-UHFFFAOYSA-N 0 0 345.377 4.476 50 0 EIAARN O=C(c1[nH]c2ccccc2c1Br)N1CCCCCCC1 ZINC000058367778 563943995 /nfs/dbraw/zinc/94/39/95/563943995.db2.gz FMFPMCNJCPJBGT-UHFFFAOYSA-N 0 0 335.245 4.337 50 0 EIAARN O=C(Nc1cccc(OC2CCCC2)c1)C1=Cc2ccccc2OC1 ZINC000058404077 563944991 /nfs/dbraw/zinc/94/49/91/563944991.db2.gz GYDUAIPUTXBLCH-UHFFFAOYSA-N 0 0 335.403 4.423 50 0 EIAARN O=C(c1cnc(-c2ccccc2)nc1)N1CCCSc2ccccc21 ZINC000058414915 563945426 /nfs/dbraw/zinc/94/54/26/563945426.db2.gz BRABYJNYJFMEFS-UHFFFAOYSA-N 0 0 347.443 4.286 50 0 EIAARN CN(C)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)nc1 ZINC000058416714 563945506 /nfs/dbraw/zinc/94/55/06/563945506.db2.gz UAVJKWQLKATTAV-UHFFFAOYSA-N 0 0 341.798 4.313 50 0 EIAARN O=C(Cc1coc2ccc3ccccc3c12)NC1CCSCC1 ZINC000058419844 563945739 /nfs/dbraw/zinc/94/57/39/563945739.db2.gz JORRLOLGXMJLEB-UHFFFAOYSA-N 0 0 325.433 4.140 50 0 EIAARN Cc1[nH]c2c(cccc2C(=O)Nc2cccc(-n3ccnc3)c2)c1C ZINC000058426280 563946020 /nfs/dbraw/zinc/94/60/20/563946020.db2.gz ONQPLTJPJUPXMQ-UHFFFAOYSA-N 0 0 330.391 4.223 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(F)c1)n1c(-c2cccs2)n[nH]c1=S ZINC000058425362 563946041 /nfs/dbraw/zinc/94/60/41/563946041.db2.gz CVCYFCOVCGUSCJ-VIFPVBQESA-N 0 0 348.428 4.008 50 0 EIAARN O=C(OCc1c(Cl)ccc2cccnc21)c1n[nH]c2ccccc21 ZINC000058653025 563947080 /nfs/dbraw/zinc/94/70/80/563947080.db2.gz OBQFKPXTGGAURM-UHFFFAOYSA-N 0 0 337.766 4.122 50 0 EIAARN CCC(=O)N1CCc2cc(C(=O)Nc3ccc(C)cc3Cl)ccc21 ZINC000059288004 563947857 /nfs/dbraw/zinc/94/78/57/563947857.db2.gz UVDAGSLFNUUPSZ-UHFFFAOYSA-N 0 0 342.826 4.200 50 0 EIAARN CN(Cc1cscn1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000096404679 563950000 /nfs/dbraw/zinc/95/00/00/563950000.db2.gz UODSTTYRPIEMEY-OLZOCXBDSA-N 0 0 341.263 4.212 50 0 EIAARN O=C(N[C@@H](c1ccccc1)C1CC1)c1ccccc1Br ZINC000011201421 563950504 /nfs/dbraw/zinc/95/05/04/563950504.db2.gz GHQIIAAQVBYANJ-INIZCTEOSA-N 0 0 330.225 4.330 50 0 EIAARN O=C(Nc1cccc(OCc2cccnc2)c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000096434139 563952901 /nfs/dbraw/zinc/95/29/01/563952901.db2.gz XIUCZAZMABKOOI-HDICACEKSA-N 0 0 349.434 4.091 50 0 EIAARN COc1ccc(C(C)=O)c(O[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000096449275 563953310 /nfs/dbraw/zinc/95/33/10/563953310.db2.gz HMIJCUQJCQWUNB-LLVKDONJSA-N 0 0 344.392 4.149 50 0 EIAARN Cc1noc(C)c1NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096447150 563953372 /nfs/dbraw/zinc/95/33/72/563953372.db2.gz CGNYUKQDRDUNSW-GFCCVEGCSA-N 0 0 336.395 4.236 50 0 EIAARN Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cn1 ZINC000096446962 563953416 /nfs/dbraw/zinc/95/34/16/563953416.db2.gz RNOIATKDTRZLKP-INIZCTEOSA-N 0 0 346.434 4.012 50 0 EIAARN COCc1cccc(NC(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000096461478 563954079 /nfs/dbraw/zinc/95/40/79/563954079.db2.gz SLBJOKGOUYGFQT-UHFFFAOYSA-N 0 0 334.366 4.132 50 0 EIAARN O=C(Nc1ccccc1F)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000096467919 563954402 /nfs/dbraw/zinc/95/44/02/563954402.db2.gz LDOZFBYHRJMLRZ-RHSMWYFYSA-N 0 0 346.402 4.319 50 0 EIAARN COCC[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000063845953 563956111 /nfs/dbraw/zinc/95/61/11/563956111.db2.gz YIDHCDGRAFMTKD-LJQANCHMSA-N 0 0 339.435 4.090 50 0 EIAARN Cc1cc2ccccc2n1CCC(=O)N(C)[C@H](C)c1nccs1 ZINC000063848837 563956137 /nfs/dbraw/zinc/95/61/37/563956137.db2.gz LNWPDADCEKKLNI-CQSZACIVSA-N 0 0 327.453 4.016 50 0 EIAARN COc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc1OC ZINC000064667138 563956968 /nfs/dbraw/zinc/95/69/68/563956968.db2.gz AMOCFOPVYSURIT-INIZCTEOSA-N 0 0 330.428 4.152 50 0 EIAARN CCCOc1ccc(CN2CCC[C@H]2c2cc(CC)no2)cc1OC ZINC000064984391 563957437 /nfs/dbraw/zinc/95/74/37/563957437.db2.gz QGZFJTYPTSHIAI-KRWDZBQOSA-N 0 0 344.455 4.372 50 0 EIAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(F)c2)no1 ZINC000064984896 563957786 /nfs/dbraw/zinc/95/77/86/563957786.db2.gz IEPGSHWQIXMAML-QGZVFWFLSA-N 0 0 331.391 4.444 50 0 EIAARN c1nc(-c2ccccc2)c([C@H]2CCOC2)n1CCCc1cccnc1 ZINC000065371504 563958446 /nfs/dbraw/zinc/95/84/46/563958446.db2.gz YASCXQJHADNWKU-IBGZPJMESA-N 0 0 333.435 4.082 50 0 EIAARN Cc1nc([C@H](C)N(C)Cc2cccn2-c2nccs2)c(C)s1 ZINC000065375148 563958795 /nfs/dbraw/zinc/95/87/95/563958795.db2.gz JNHDRFOJITXRQK-NSHDSACASA-N 0 0 332.498 4.200 50 0 EIAARN Cc1nn(CCC(C)C)c2c1[C@H](c1ccnc3ccccc31)CC(=O)N2 ZINC000065382286 563959109 /nfs/dbraw/zinc/95/91/09/563959109.db2.gz YPRNHXYOBWJXMQ-KRWDZBQOSA-N 0 0 348.450 4.260 50 0 EIAARN CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cccc2nonc21 ZINC000065384462 563959145 /nfs/dbraw/zinc/95/91/45/563959145.db2.gz TWNJMYPWNMQFMW-HNNXBMFYSA-N 0 0 348.406 4.351 50 0 EIAARN Cc1cc(-c2c(-c3ccccc3)ncn2Cc2nccn2C)ccc1F ZINC000065395220 563959596 /nfs/dbraw/zinc/95/95/96/563959596.db2.gz JRFWVJXKEIUEEE-UHFFFAOYSA-N 0 0 346.409 4.446 50 0 EIAARN c1nc(-c2ccccc2)c(-c2cccnc2)n1CCNc1cccnc1 ZINC000065405440 563960055 /nfs/dbraw/zinc/96/00/55/563960055.db2.gz CRZAYVMBFWWQPY-UHFFFAOYSA-N 0 0 341.418 4.119 50 0 EIAARN CCn1cncc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C ZINC000065410842 563960436 /nfs/dbraw/zinc/96/04/36/563960436.db2.gz CLWWQGGTUGRBES-UHFFFAOYSA-N 0 0 347.422 4.087 50 0 EIAARN c1nc(-c2ccccc2)c(C2CC2)n1CCc1cn2ccccc2n1 ZINC000065453999 563961049 /nfs/dbraw/zinc/96/10/49/563961049.db2.gz SHDDKDWCXLFEJH-UHFFFAOYSA-N 0 0 328.419 4.318 50 0 EIAARN CSCC[C@H]1CC(=O)Nc2c1c(C(C)C)nn2-c1ccccc1 ZINC000065461674 563961173 /nfs/dbraw/zinc/96/11/73/563961173.db2.gz QFHIHEUXEADYTG-ZDUSSCGKSA-N 0 0 329.469 4.175 50 0 EIAARN c1cn(Cc2ccccn2)c(-c2ccc([C@H]3CCCCO3)s2)n1 ZINC000067642593 563962413 /nfs/dbraw/zinc/96/24/13/563962413.db2.gz SDPCAMQHYNAKMC-OAHLLOKOSA-N 0 0 325.437 4.297 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)c2cc(COc3ccccc3)n[nH]2)c(C)c1 ZINC000067689025 563962490 /nfs/dbraw/zinc/96/24/90/563962490.db2.gz UWFVGKQCYGYIJY-INIZCTEOSA-N 0 0 349.434 4.097 50 0 EIAARN Cc1cc(F)ccc1-c1c(-c2ccccc2)ncn1Cc1ncc[nH]1 ZINC000067740803 563962598 /nfs/dbraw/zinc/96/25/98/563962598.db2.gz ZLGCJRLVMIWJQM-UHFFFAOYSA-N 0 0 332.382 4.436 50 0 EIAARN CC(=O)c1ccc(F)cc1-c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000067846953 563962860 /nfs/dbraw/zinc/96/28/60/563962860.db2.gz OSWOLLHLKNIMKP-AWEZNQCLSA-N 0 0 327.399 4.089 50 0 EIAARN COc1ccc(F)c(CN(C)[C@@H](C)c2c(C)n[nH]c2C)c1Cl ZINC000067880059 563962977 /nfs/dbraw/zinc/96/29/77/563962977.db2.gz JHXMJTQXNLWUTF-NSHDSACASA-N 0 0 325.815 4.021 50 0 EIAARN COc1ccc(-c2nccn2-c2ccc(Cl)cc2)c(OC)c1OC ZINC000067908577 563963011 /nfs/dbraw/zinc/96/30/11/563963011.db2.gz SAVYVFCOQMXKKW-UHFFFAOYSA-N 0 0 344.798 4.219 50 0 EIAARN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000068002929 563963223 /nfs/dbraw/zinc/96/32/23/563963223.db2.gz NWZSEYAVYXXUBK-CYBMUJFWSA-N 0 0 345.855 4.266 50 0 EIAARN O=C1NC(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)S1 ZINC000004691600 563964515 /nfs/dbraw/zinc/96/45/15/563964515.db2.gz PFGXHKQXESWGLH-XFFZJAGNSA-N 0 0 337.809 4.408 50 0 EIAARN CC(C)[C@H](C)NC(=O)c1cc(N2CCC[C@@H](C)C2)nc2ccccc21 ZINC000022346869 563966821 /nfs/dbraw/zinc/96/68/21/563966821.db2.gz QWWNHHRGIOGLFD-CVEARBPZSA-N 0 0 339.483 4.245 50 0 EIAARN CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000097098818 563967444 /nfs/dbraw/zinc/96/74/44/563967444.db2.gz DUDVHJXUBHFRCL-KZULUSFZSA-N 0 0 341.386 4.009 50 0 EIAARN CCC1(CC)Oc2ccc(NC(=O)[C@@H]3COc4ccccc43)cc2O1 ZINC000097105213 563967680 /nfs/dbraw/zinc/96/76/80/563967680.db2.gz UVVUOGYWVLSHIH-OAHLLOKOSA-N 0 0 339.391 4.089 50 0 EIAARN COc1cc(C)c(/C=C2/N=C(c3ccccc3)OC2=O)cc1C(C)C ZINC000000032640 563967783 /nfs/dbraw/zinc/96/77/83/563967783.db2.gz LRXOBEAOHKQOMG-LDADJPATSA-N 0 0 335.403 4.472 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)OCc3cc(C)cc(C)c3)c12 ZINC000097134645 563968112 /nfs/dbraw/zinc/96/81/12/563968112.db2.gz WXJTYFJPHHIKJY-UHFFFAOYSA-N 0 0 336.391 4.382 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccc(O)cc2)c(OCC(F)(F)F)c1 ZINC000097164675 563968498 /nfs/dbraw/zinc/96/84/98/563968498.db2.gz LLMUZSLVDNFHIO-UHFFFAOYSA-N 0 0 340.301 4.286 50 0 EIAARN O=C(Nc1nccs1)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000051059 563970632 /nfs/dbraw/zinc/97/06/32/563970632.db2.gz WEUPVNXYXSAVCD-LXPRWKDFSA-N 0 0 332.428 4.379 50 0 EIAARN Fc1cc(CNc2ccc(-c3nnco3)cc2)ccc1OC(F)F ZINC000097229686 563970640 /nfs/dbraw/zinc/97/06/40/563970640.db2.gz BWDVFDIOOAGPOQ-UHFFFAOYSA-N 0 0 335.285 4.089 50 0 EIAARN COc1cccc([C@H]2CCCN2C(=O)C2=Cc3ccccc3OC=C2)c1 ZINC000082106512 563972264 /nfs/dbraw/zinc/97/22/64/563972264.db2.gz LRBJKIRRVQTLEX-HXUWFJFHSA-N 0 0 347.414 4.348 50 0 EIAARN COc1cccc([C@@H](C)NC(=O)c2cc(C)nc3cc(F)ccc32)c1 ZINC000082114415 563972411 /nfs/dbraw/zinc/97/24/11/563972411.db2.gz UNZWDXWSVRDQTE-CYBMUJFWSA-N 0 0 338.382 4.182 50 0 EIAARN COCCC[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000082120541 563972430 /nfs/dbraw/zinc/97/24/30/563972430.db2.gz WTZZSMMRZRUOBX-OAHLLOKOSA-N 0 0 329.362 4.127 50 0 EIAARN COc1ccc(C(=O)N(C)[C@@H](C)c2nc(C)sc2C)cc1Cl ZINC000082137378 563972595 /nfs/dbraw/zinc/97/25/95/563972595.db2.gz RDZJPKILAZHHNG-VIFPVBQESA-N 0 0 338.860 4.255 50 0 EIAARN Cc1cc(-n2cccn2)ccc1-c1nccn1[C@@H]1COC2(CCCC2)C1 ZINC000082136905 563972598 /nfs/dbraw/zinc/97/25/98/563972598.db2.gz PUZRLHRDDXDZDE-SFHVURJKSA-N 0 0 348.450 4.318 50 0 EIAARN COc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000033297626 563973113 /nfs/dbraw/zinc/97/31/13/563973113.db2.gz FATGDEAAGCFYAL-NTMALXAHSA-N 0 0 331.799 4.318 50 0 EIAARN Cc1cc(C)nc(NC(=O)c2sc3cccc(F)c3c2Cl)n1 ZINC000004749378 563973114 /nfs/dbraw/zinc/97/31/14/563973114.db2.gz ROQAFMWCNPQWJQ-UHFFFAOYSA-N 0 0 335.791 4.353 50 0 EIAARN CC(=O)c1ccccc1NCc1nnc(-c2ccccc2Cl)o1 ZINC000126818037 563973481 /nfs/dbraw/zinc/97/34/81/563973481.db2.gz OAKFKKIWINRQAD-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN CCOC(=O)c1sc(Br)nc1-c1cc(F)cc(F)c1 ZINC000085224023 563973790 /nfs/dbraw/zinc/97/37/90/563973790.db2.gz SLSWPHIDZMRDBP-UHFFFAOYSA-N 0 0 348.168 4.028 50 0 EIAARN O=C(c1ccc(Cl)c(F)c1)c1ccccc1CN1CCSCC1 ZINC000085651672 563973899 /nfs/dbraw/zinc/97/38/99/563973899.db2.gz SGKFBILPMQDMEL-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN CSc1ccccc1C(=O)c1ccccc1CN1CCSCC1 ZINC000085651646 563973915 /nfs/dbraw/zinc/97/39/15/563973915.db2.gz IBYGEEMILNRZHE-UHFFFAOYSA-N 0 0 343.517 4.188 50 0 EIAARN O=C(/C=C/c1ccsc1)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146668 563973954 /nfs/dbraw/zinc/97/39/54/563973954.db2.gz AXEPGUCQJZRMDF-GJBLVYBDSA-N 0 0 329.446 4.364 50 0 EIAARN Fc1ccc(/C=C/c2nn3c(nnc3-c3cccs3)s2)cc1 ZINC000004776352 563974089 /nfs/dbraw/zinc/97/40/89/563974089.db2.gz DBQAYRPTHZOALT-VMPITWQZSA-N 0 0 328.397 4.224 50 0 EIAARN CCOc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C)C3)cc1 ZINC000000083253 563974832 /nfs/dbraw/zinc/97/48/32/563974832.db2.gz HVMISXKMTUSREX-LLVKDONJSA-N 0 0 330.453 4.106 50 0 EIAARN CN(C)c1ccc(Nc2ncnc3ccc(Br)cc32)cc1 ZINC000000084951 563975005 /nfs/dbraw/zinc/97/50/05/563975005.db2.gz YJXQXNMNLWGBKZ-UHFFFAOYSA-N 0 0 343.228 4.202 50 0 EIAARN Cc1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cs1 ZINC000091319722 563975266 /nfs/dbraw/zinc/97/52/66/563975266.db2.gz XHHCBMDFPDHYRC-QGZVFWFLSA-N 0 0 329.465 4.390 50 0 EIAARN CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc(SC)cc2)C1 ZINC000091493203 563975390 /nfs/dbraw/zinc/97/53/90/563975390.db2.gz XTSZYEMHRPXFEO-CQSZACIVSA-N 0 0 344.484 4.036 50 0 EIAARN Cc1ccc(F)cc1Cn1cc(-c2ccc(C)c3ncccc23)nn1 ZINC000091876588 563975828 /nfs/dbraw/zinc/97/58/28/563975828.db2.gz HWJNZWFUZQARDS-UHFFFAOYSA-N 0 0 332.382 4.298 50 0 EIAARN CC(C)[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl ZINC000000086836 563975892 /nfs/dbraw/zinc/97/58/92/563975892.db2.gz MOWKPRHIVJNEAX-CHWSQXEVSA-N 0 0 329.223 4.459 50 0 EIAARN COc1cccc(CN(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000016356318 563976272 /nfs/dbraw/zinc/97/62/72/563976272.db2.gz UVYWEQXFGQJWIG-UHFFFAOYSA-N 0 0 343.814 4.031 50 0 EIAARN CC(C)C(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccccc1 ZINC000004814992 563976355 /nfs/dbraw/zinc/97/63/55/563976355.db2.gz WBRYXGGTCDIRTB-MOPGFXCFSA-N 0 0 346.434 4.002 50 0 EIAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(=O)[nH]c1 ZINC000011512590 563976696 /nfs/dbraw/zinc/97/66/96/563976696.db2.gz GUPVATKWLXNVAS-UHFFFAOYSA-N 0 0 340.766 4.485 50 0 EIAARN C=Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CCCC)C2)cc1 ZINC000095358986 563976738 /nfs/dbraw/zinc/97/67/38/563976738.db2.gz RXVPLUVXQGPEKS-IBGZPJMESA-N 0 0 337.467 4.346 50 0 EIAARN Cc1nc2ccc(C(=O)N3CCCC[C@@H]3c3cccnc3)cc2nc1C ZINC000095361276 563976740 /nfs/dbraw/zinc/97/67/40/563976740.db2.gz DRIKJSXEWPATKW-HXUWFJFHSA-N 0 0 346.434 4.009 50 0 EIAARN Cc1noc2nc(C)cc(C(=O)N3CCCCC[C@H]3c3ccco3)c12 ZINC000095391236 563976913 /nfs/dbraw/zinc/97/69/13/563976913.db2.gz WFAPREHDRDAPMA-HNNXBMFYSA-N 0 0 339.395 4.190 50 0 EIAARN CCCN(Cc1ccsc1)C(=O)[C@H](c1ccccc1C)N(C)C ZINC000095530102 563977551 /nfs/dbraw/zinc/97/75/51/563977551.db2.gz HJKDNYIHTHKQBC-SFHVURJKSA-N 0 0 330.497 4.098 50 0 EIAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl ZINC000100502332 563982647 /nfs/dbraw/zinc/98/26/47/563982647.db2.gz OQQWIGJNUJLEHO-IUCAKERBSA-N 0 0 347.629 4.149 50 0 EIAARN CCC[C@@H](C)NC(=O)Nc1ccc(OCCc2ccccn2)cc1 ZINC000096133722 563979427 /nfs/dbraw/zinc/97/94/27/563979427.db2.gz OWHGYHUMOMQGDE-OAHLLOKOSA-N 0 0 327.428 4.013 50 0 EIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000096166013 563979947 /nfs/dbraw/zinc/97/99/47/563979947.db2.gz DSFNWTBEKOVMIU-GOSISDBHSA-N 0 0 337.427 4.353 50 0 EIAARN O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000011585236 563981086 /nfs/dbraw/zinc/98/10/86/563981086.db2.gz RJAHJUNNIZRWHX-LJQANCHMSA-N 0 0 342.402 4.088 50 0 EIAARN CCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 ZINC000004816495 563981102 /nfs/dbraw/zinc/98/11/02/563981102.db2.gz CDSJKPYQZWHOFL-OALUTQOASA-N 0 0 346.434 4.064 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OC[C@@H]1CCCO1 ZINC000011594418 563981195 /nfs/dbraw/zinc/98/11/95/563981195.db2.gz JUSVCXAEPNFNMZ-ZDUSSCGKSA-N 0 0 337.828 4.108 50 0 EIAARN O=C(NCCC1=CCCCC1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000011607508 563981227 /nfs/dbraw/zinc/98/12/27/563981227.db2.gz NADNOHQAKPTLAH-UHFFFAOYSA-N 0 0 340.467 4.181 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)NCc2ccccc2Cl)c1 ZINC000044106705 563981457 /nfs/dbraw/zinc/98/14/57/563981457.db2.gz RJUQJRWRJYMZGD-UHFFFAOYSA-N 0 0 331.803 4.010 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(-c2ncc[nH]2)c1 ZINC000097436867 563981535 /nfs/dbraw/zinc/98/15/35/563981535.db2.gz RKILPXBHRKJIKT-IBGZPJMESA-N 0 0 331.419 4.362 50 0 EIAARN CCO[C@H](C)c1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1 ZINC000097604210 563981707 /nfs/dbraw/zinc/98/17/07/563981707.db2.gz NPFAUGNLGUGTFC-MRXNPFEDSA-N 0 0 338.451 4.472 50 0 EIAARN CSC[C@@H]1CCCN(C(=O)c2cc(C)nc3ccc(C)cc32)C1 ZINC000097602598 563981719 /nfs/dbraw/zinc/98/17/19/563981719.db2.gz CURKEVJNMWONQH-OAHLLOKOSA-N 0 0 328.481 4.067 50 0 EIAARN Cc1nc2cc(C(=O)N[C@@H](c3ncccc3C)C3CC3)ccc2s1 ZINC000097632171 563981748 /nfs/dbraw/zinc/98/17/48/563981748.db2.gz GXSIKXCBIUMREP-GOSISDBHSA-N 0 0 337.448 4.189 50 0 EIAARN CCOC(=O)c1cccc(NC=C2SC(=O)c3ccccc32)c1 ZINC000100210482 563982414 /nfs/dbraw/zinc/98/24/14/563982414.db2.gz ABAWIBMGISYXMO-WJDWOHSUSA-N 0 0 325.389 4.161 50 0 EIAARN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N(Cc1ccco1)C1CC1 ZINC000046456457 563982720 /nfs/dbraw/zinc/98/27/20/563982720.db2.gz QIHWWRFCYINRSS-UHFFFAOYSA-N 0 0 341.798 4.128 50 0 EIAARN Clc1ccc(C2=Nc3nnnn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000100819098 563982769 /nfs/dbraw/zinc/98/27/69/563982769.db2.gz WYJBKNZRBZFJQW-OAHLLOKOSA-N 0 0 344.205 4.036 50 0 EIAARN Clc1ccc(Nc2nc3ccccc3n3cnnc23)cc1Cl ZINC000004823327 563983241 /nfs/dbraw/zinc/98/32/41/563983241.db2.gz YXFNWNZZCQXBBF-UHFFFAOYSA-N 0 0 330.178 4.328 50 0 EIAARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NCCC1=CCCCC1 ZINC000004830104 563983447 /nfs/dbraw/zinc/98/34/47/563983447.db2.gz QKWKOXYAGAFQAB-ZDUSSCGKSA-N 0 0 329.469 4.050 50 0 EIAARN COc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCCC2)cc1OC ZINC000000104886 563986414 /nfs/dbraw/zinc/98/64/14/563986414.db2.gz HRSMIQMZIVNWLC-UHFFFAOYSA-N 0 0 343.398 4.293 50 0 EIAARN COc1cc2ccccc2cc1-c1nnc(COc2ccccc2)o1 ZINC000000105253 563986446 /nfs/dbraw/zinc/98/64/46/563986446.db2.gz SBNWSDNMCWPQOP-UHFFFAOYSA-N 0 0 332.359 4.477 50 0 EIAARN Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc(F)c2)S3)cc1 ZINC000000107808 563986496 /nfs/dbraw/zinc/98/64/96/563986496.db2.gz JWUSZJNQQFALPG-HNNXBMFYSA-N 0 0 339.395 4.270 50 0 EIAARN O=c1[nH]c(-c2cccs2)nc2c1sc(=S)n2-c1ccccc1 ZINC000000108864 563986510 /nfs/dbraw/zinc/98/65/10/563986510.db2.gz ICGYHUZPLFYPFR-UHFFFAOYSA-N 0 0 343.458 4.233 50 0 EIAARN Cc1nc2sc(C(=O)N(C)c3ccccc3)c(N)c2c(C)c1C ZINC000000109081 563986527 /nfs/dbraw/zinc/98/65/27/563986527.db2.gz RMMYNKLADUUIPD-UHFFFAOYSA-N 0 0 325.437 4.080 50 0 EIAARN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000130793 563986903 /nfs/dbraw/zinc/98/69/03/563986903.db2.gz LLJRHYKCRIJNON-JXMROGBWSA-N 0 0 343.810 4.152 50 0 EIAARN CC1(C)Cc2c(cnn2-c2ccc(F)cc2)-c2nc3ccccc3nc21 ZINC000000141577 563987117 /nfs/dbraw/zinc/98/71/17/563987117.db2.gz GSQAEXMDBAMETH-UHFFFAOYSA-N 0 0 344.393 4.455 50 0 EIAARN Cc1nnc(COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)o1 ZINC000057755247 563987429 /nfs/dbraw/zinc/98/74/29/563987429.db2.gz FOAYLORVSFKGKP-UHFFFAOYSA-N 0 0 346.427 4.036 50 0 EIAARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1Cl ZINC000000175984 563987672 /nfs/dbraw/zinc/98/76/72/563987672.db2.gz VJDDAXZMQFKIDN-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN CCOc1cccc2sc(NC(=O)c3c(F)cccc3F)nc21 ZINC000000180438 563987813 /nfs/dbraw/zinc/98/78/13/563987813.db2.gz RQHVNKDTQHDMEB-UHFFFAOYSA-N 0 0 334.347 4.226 50 0 EIAARN CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCC2 ZINC000000185126 563987959 /nfs/dbraw/zinc/98/79/59/563987959.db2.gz SDMHYSNLXAEIDF-UHFFFAOYSA-N 0 0 344.436 4.448 50 0 EIAARN O=C1C(=Nc2ccccc2)C[C@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000000191531 563988175 /nfs/dbraw/zinc/98/81/75/563988175.db2.gz UEOMAONEBCYQBF-OAQYLSRUSA-N 0 0 342.398 4.476 50 0 EIAARN Cc1ccc(NC=C2N=C(c3ccccc3F)OC2=O)cc1Cl ZINC000000198266 563988277 /nfs/dbraw/zinc/98/82/77/563988277.db2.gz QMFRDEABAMPQGE-DHDCSXOGSA-N 0 0 330.746 4.044 50 0 EIAARN O=C1c2cccc(Cl)c2C(=O)N1c1cc(Cl)ccc1Cl ZINC000000225804 563988918 /nfs/dbraw/zinc/98/89/18/563988918.db2.gz WVFWXIWRTRODCX-UHFFFAOYSA-N 0 0 326.566 4.447 50 0 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564002445 /nfs/dbraw/zinc/00/24/45/564002445.db2.gz OBVDQURZBILNQC-CYBMUJFWSA-N 0 0 344.505 4.281 50 0 EIAARN O=C(Nc1ccccc1Cl)c1cc(-c2cc(Cl)ccc2O)[nH]n1 ZINC000005342668 564002829 /nfs/dbraw/zinc/00/28/29/564002829.db2.gz TXWBPROBFKHGMJ-UHFFFAOYSA-N 0 0 348.189 4.341 50 0 EIAARN COc1ccc2[nH]c(C(=O)Nc3cnc4ccccc4c3)c(C)c2c1 ZINC000005345872 564002956 /nfs/dbraw/zinc/00/29/56/564002956.db2.gz RWUDCRFRRJDYFV-UHFFFAOYSA-N 0 0 331.375 4.285 50 0 EIAARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000005359598 564003058 /nfs/dbraw/zinc/00/30/58/564003058.db2.gz HHOJNHXGGXWXNO-UHFFFAOYSA-N 0 0 344.581 4.082 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1 ZINC000005367840 564003087 /nfs/dbraw/zinc/00/30/87/564003087.db2.gz NFDADKDSJQIHEC-UHFFFAOYSA-N 0 0 339.435 4.099 50 0 EIAARN O=C(/C=C/c1ccc(Br)cc1)n1cnc2ccccc21 ZINC000005387749 564003467 /nfs/dbraw/zinc/00/34/67/564003467.db2.gz MNNNLHMIPAKPKI-JXMROGBWSA-N 0 0 327.181 4.152 50 0 EIAARN O=C(CCNC(=O)c1ccccc1)Nc1ccc(-c2ccccc2)cc1 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Cc1cccc(-c2noc(CCC(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000005575647 564005786 /nfs/dbraw/zinc/00/57/86/564005786.db2.gz YFIWNPLQEVMZLC-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005454384 564005983 /nfs/dbraw/zinc/00/59/83/564005983.db2.gz XMPDUNWAASGIJX-MNFTWSISSA-N 0 0 327.468 4.175 50 0 EIAARN COCc1c2ccccc2oc1C(=O)Nc1cc(Cl)ccc1OC ZINC000005575681 564006092 /nfs/dbraw/zinc/00/60/92/564006092.db2.gz CFSVGQPCJGAIBQ-UHFFFAOYSA-N 0 0 345.782 4.494 50 0 EIAARN CCC[C@@H](C)NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000024348520 564006166 /nfs/dbraw/zinc/00/61/66/564006166.db2.gz CTYCVTCPTXYFKF-FZKQIMNGSA-N 0 0 348.537 4.062 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3cccs3)n2)c(OC)c1 ZINC000006381512 564006364 /nfs/dbraw/zinc/00/63/64/564006364.db2.gz WQPWUHARHQFHGW-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN COc1cc(C)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1OC ZINC000005616553 564006456 /nfs/dbraw/zinc/00/64/56/564006456.db2.gz MDLCKJJTBCRGGN-UHFFFAOYSA-N 0 0 345.826 4.336 50 0 EIAARN CCc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000005616248 564006463 /nfs/dbraw/zinc/00/64/63/564006463.db2.gz AGAPRTHFTOFNDX-SFHVURJKSA-N 0 0 325.408 4.059 50 0 EIAARN O=C(C=Cc1ccccc1Cl)OCC(=O)c1ccc(Cl)s1 ZINC000006644093 564006595 /nfs/dbraw/zinc/00/65/95/564006595.db2.gz ZUVVLLNNLVKGOA-VMPITWQZSA-N 0 0 341.215 4.494 50 0 EIAARN C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005622418 564006628 /nfs/dbraw/zinc/00/66/28/564006628.db2.gz WDASPHOWCMDHSK-JTQLQIEISA-N 0 0 326.343 4.220 50 0 EIAARN O=C(Nc1ccc(C(=O)Oc2ccccc2)cc1)c1ccccc1F ZINC000003130077 564006821 /nfs/dbraw/zinc/00/68/21/564006821.db2.gz FTZNIGDWDGXLNS-UHFFFAOYSA-N 0 0 335.334 4.297 50 0 EIAARN Cc1ccc2c(CC(=O)N(C)Cc3ccccc3F)coc2c1C ZINC000008244462 564006956 /nfs/dbraw/zinc/00/69/56/564006956.db2.gz CWJJTVTUQQWBPX-UHFFFAOYSA-N 0 0 325.383 4.390 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2cc(C)cc(C)c2)c(C)n1 ZINC000008719160 564007126 /nfs/dbraw/zinc/00/71/26/564007126.db2.gz YXROGNMMYQYMTC-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/01/71/94/564017194.db2.gz BHGQMKZUFCMDSM-UHFFFAOYSA-N 0 0 330.094 4.313 50 0 EIAARN CC(C)[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCOC(C)(C)C1 ZINC000000490393 564017565 /nfs/dbraw/zinc/01/75/65/564017565.db2.gz MRENQJGAOWEDBH-HZPDHXFCSA-N 0 0 343.467 4.150 50 0 EIAARN Cn1c(Cl)cnc1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000018034176 564017752 /nfs/dbraw/zinc/01/77/52/564017752.db2.gz CMKGNCRDOAHPQA-UHFFFAOYSA-N 0 0 346.887 4.063 50 0 EIAARN CCOc1cc(O)c(-c2n[nH]cc2-c2nc(C)cs2)cc1CC ZINC000018120621 564018249 /nfs/dbraw/zinc/01/82/49/564018249.db2.gz XJSRKAJJTNPFQO-UHFFFAOYSA-N 0 0 329.425 4.175 50 0 EIAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2ccccc2c1 ZINC000000500042 564018484 /nfs/dbraw/zinc/01/84/84/564018484.db2.gz QRJLYXJVAKTYAL-LJQANCHMSA-N 0 0 335.359 4.138 50 0 EIAARN O=C(CNc1cccc(Br)c1)Nc1cccc(Cl)c1 ZINC000005689515 564018850 /nfs/dbraw/zinc/01/88/50/564018850.db2.gz WUECFYGFZFBHAA-UHFFFAOYSA-N 0 0 339.620 4.153 50 0 EIAARN O=C1c2ccccc2[C@H]2N1c1ccccc1C(=O)N2c1ccc(F)cc1 ZINC000000501021 564018991 /nfs/dbraw/zinc/01/89/91/564018991.db2.gz LQXXVVKBAWKIBA-LJQANCHMSA-N 0 0 344.345 4.145 50 0 EIAARN COc1ccccc1CCNc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000000501489 564019036 /nfs/dbraw/zinc/01/90/36/564019036.db2.gz VJIQGEDNDBREMI-UHFFFAOYSA-N 0 0 332.407 4.083 50 0 EIAARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 ZINC000000503436 564019194 /nfs/dbraw/zinc/01/91/94/564019194.db2.gz HQAKKJUVFWXIKJ-GOSISDBHSA-N 0 0 345.398 4.098 50 0 EIAARN Cc1sc(NC(=O)C(C)C)nc1-c1ccc(Br)cc1 ZINC000005697231 564019264 /nfs/dbraw/zinc/01/92/64/564019264.db2.gz GWNZOCSGMFAJPE-UHFFFAOYSA-N 0 0 339.258 4.476 50 0 EIAARN Cc1ccsc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000102159473 564019857 /nfs/dbraw/zinc/01/98/57/564019857.db2.gz AIEJHOKPOVBUOQ-AEGPPILISA-N 0 0 338.469 4.217 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=S)Nc2ccc(OC(F)F)cc2)[C@H]1C ZINC000102199831 564019908 /nfs/dbraw/zinc/01/99/08/564019908.db2.gz LIYBYTFQYGQACE-SUNKGSAMSA-N 0 0 328.428 4.399 50 0 EIAARN COc1ccccc1C/C(C)=C\C(=O)N(Cc1cccnc1)C(C)C ZINC000102198955 564019911 /nfs/dbraw/zinc/01/99/11/564019911.db2.gz DMBGRWLDFOYIQK-LGMDPLHJSA-N 0 0 338.451 4.016 50 0 EIAARN C[C@@H]1CCCN(c2ncnc3c4cc(Br)ccc4[nH]c32)C1 ZINC000000509364 564019918 /nfs/dbraw/zinc/01/99/18/564019918.db2.gz AICUOFFLXFLZMX-SNVBAGLBSA-N 0 0 345.244 4.110 50 0 EIAARN O=C(Nc1cccc(Br)c1)c1ccc(Br)o1 ZINC000000514167 564020449 /nfs/dbraw/zinc/02/04/49/564020449.db2.gz BGDGUYOGINFGGR-UHFFFAOYSA-N 0 0 344.990 4.057 50 0 EIAARN CCOC(=O)/C=C(/C)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000102897483 564020908 /nfs/dbraw/zinc/02/09/08/564020908.db2.gz MLKBODHRJMFJAA-FZWACIFYSA-N 0 0 334.419 4.305 50 0 EIAARN O=C(C[C@@H](c1ccco1)c1ccc(F)cc1)NCCc1ccccc1 ZINC000000521703 564021055 /nfs/dbraw/zinc/02/10/55/564021055.db2.gz RYXMPHORPBJKNC-LJQANCHMSA-N 0 0 337.394 4.300 50 0 EIAARN Cc1ccc([C@H](O)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000000524819 564021141 /nfs/dbraw/zinc/02/11/41/564021141.db2.gz SCPISPPQCXWGRP-DVECYGJZSA-N 0 0 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/nfs/dbraw/zinc/02/43/13/564024313.db2.gz CWEKTHCYIAAJAE-UHFFFAOYSA-N 0 0 335.407 4.263 50 0 EIAARN CC(C)[C@@H](C)NC(=O)c1cc(N2CCC[C@@H](C)C2)nc2ccccc21 ZINC000105072761 564024708 /nfs/dbraw/zinc/02/47/08/564024708.db2.gz QWWNHHRGIOGLFD-HZPDHXFCSA-N 0 0 339.483 4.245 50 0 EIAARN CCc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)CCC3 ZINC000017067329 564024810 /nfs/dbraw/zinc/02/48/10/564024810.db2.gz PUHHJFVKQPILQW-UHFFFAOYSA-N 0 0 328.462 4.161 50 0 EIAARN COC(=O)c1c(NCc2ccccc2)onc1-c1ccc(Cl)cc1 ZINC000046914212 564025526 /nfs/dbraw/zinc/02/55/26/564025526.db2.gz KXJMSBANMBWGQX-UHFFFAOYSA-N 0 0 342.782 4.394 50 0 EIAARN COc1ccccc1-c1noc(-c2cc(-c3cc(C)ccc3C)[nH]n2)n1 ZINC000046914321 564025561 /nfs/dbraw/zinc/02/55/61/564025561.db2.gz XBBJITQZKLZTKU-UHFFFAOYSA-N 0 0 346.390 4.419 50 0 EIAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccoc1 ZINC000047089936 564025702 /nfs/dbraw/zinc/02/57/02/564025702.db2.gz CCHFKQBBGNLATE-JTQLQIEISA-N 0 0 327.211 4.489 50 0 EIAARN CCCCN(C(=O)c1csc(-c2ncccn2)n1)c1ccccc1 ZINC000047197398 564025907 /nfs/dbraw/zinc/02/59/07/564025907.db2.gz HKONNFXYXOEBQW-UHFFFAOYSA-N 0 0 338.436 4.047 50 0 EIAARN Cc1ccc(-c2nnco2)cc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000047320805 564026099 /nfs/dbraw/zinc/02/60/99/564026099.db2.gz XDICAWOLFBTEJD-UHFFFAOYSA-N 0 0 346.390 4.098 50 0 EIAARN CCN(C(=O)Nc1cccc(NC(C)=O)c1)[C@@H](C)c1ccc(F)cc1 ZINC000047388892 564026204 /nfs/dbraw/zinc/02/62/04/564026204.db2.gz SFLLQVMZEZHVIX-ZDUSSCGKSA-N 0 0 343.402 4.399 50 0 EIAARN Cc1cccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 ZINC000012111306 564026338 /nfs/dbraw/zinc/02/63/38/564026338.db2.gz AERSGJKIGAPKEL-UHFFFAOYSA-N 0 0 337.379 4.085 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)NCC1(c2ccccc2)CCCC1 ZINC000012101274 564026353 /nfs/dbraw/zinc/02/63/53/564026353.db2.gz NSRBOMANBZVXMN-UHFFFAOYSA-N 0 0 332.447 4.339 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(-n2ccnc2)c1 ZINC000047514576 564026381 /nfs/dbraw/zinc/02/63/81/564026381.db2.gz WVXJSHLZTGVFPX-UHFFFAOYSA-N 0 0 343.386 4.043 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCc2sccc2C1 ZINC000012216327 564026461 /nfs/dbraw/zinc/02/64/61/564026461.db2.gz FEDWWYPNDXIQTO-UHFFFAOYSA-N 0 0 346.502 4.440 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCC[C@H]1c1nccs1 ZINC000106912469 564026746 /nfs/dbraw/zinc/02/67/46/564026746.db2.gz NKBIUORBGBHHAM-FMKPAKJESA-N 0 0 330.428 4.140 50 0 EIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3)c12 ZINC000012227020 564026780 /nfs/dbraw/zinc/02/67/80/564026780.db2.gz RYURUPFAPULTMT-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CCc1nc(NC(=O)c2nc(-c3ccccc3)oc2C)sc1C ZINC000044701737 564027082 /nfs/dbraw/zinc/02/70/82/564027082.db2.gz WTBZFKZKRJZOGA-UHFFFAOYSA-N 0 0 327.409 4.230 50 0 EIAARN Cc1noc(C)c1CCC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000044722814 564027142 /nfs/dbraw/zinc/02/71/42/564027142.db2.gz AWCFPPGVQLVHTK-UHFFFAOYSA-N 0 0 348.446 4.172 50 0 EIAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000044858077 564027184 /nfs/dbraw/zinc/02/71/84/564027184.db2.gz LKSYLBJVKOOABR-LJQANCHMSA-N 0 0 339.439 4.053 50 0 EIAARN Cc1ccc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000044891570 564027522 /nfs/dbraw/zinc/02/75/22/564027522.db2.gz HHFVZFWUMQVJGC-LJQANCHMSA-N 0 0 333.435 4.168 50 0 EIAARN COc1ccc(NC(=O)CS[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000045090811 564028116 /nfs/dbraw/zinc/02/81/16/564028116.db2.gz RQCIREHBWTWSBS-GFCCVEGCSA-N 0 0 349.427 4.276 50 0 EIAARN COc1ccc(-c2nc(CSc3ccc(Cl)nn3)co2)cc1 ZINC000045104349 564028168 /nfs/dbraw/zinc/02/81/68/564028168.db2.gz DDPOCSINQYOROX-UHFFFAOYSA-N 0 0 333.800 4.086 50 0 EIAARN COc1cccc(CC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000045152881 564028172 /nfs/dbraw/zinc/02/81/72/564028172.db2.gz LWRMPERCXKZELU-SFHVURJKSA-N 0 0 329.827 4.255 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000047644170 564028211 /nfs/dbraw/zinc/02/82/11/564028211.db2.gz NTINJRLWPSBWRZ-UHFFFAOYSA-N 0 0 332.831 4.025 50 0 EIAARN Cc1ccc(-c2nc(CS(=O)(=O)Cc3ccccc3C)co2)cc1 ZINC000045280720 564028312 /nfs/dbraw/zinc/02/83/12/564028312.db2.gz 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/nfs/dbraw/zinc/02/91/48/564029148.db2.gz RTOJTAACOCFBNM-UHFFFAOYSA-N 0 0 339.395 4.436 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000046018283 564029255 /nfs/dbraw/zinc/02/92/55/564029255.db2.gz VKSHVRYDYGHBMZ-SFHVURJKSA-N 0 0 347.455 4.277 50 0 EIAARN Cc1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCC3)cc1 ZINC000046022650 564029302 /nfs/dbraw/zinc/02/93/02/564029302.db2.gz PREIFTQAEXYPMF-UHFFFAOYSA-N 0 0 341.418 4.332 50 0 EIAARN O=C(NCc1ncc(-c2ccccc2)o1)c1cc2ccccc2s1 ZINC000047927695 564029788 /nfs/dbraw/zinc/02/97/88/564029788.db2.gz WTEBDXGUHQBKPH-UHFFFAOYSA-N 0 0 334.400 4.486 50 0 EIAARN Cc1noc(C)c1CCC(=O)Nc1cccnc1Oc1ccccc1 ZINC000047890749 564029826 /nfs/dbraw/zinc/02/98/26/564029826.db2.gz KOUYGQJOYQGIID-UHFFFAOYSA-N 0 0 337.379 4.050 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000048007486 564029849 /nfs/dbraw/zinc/02/98/49/564029849.db2.gz OUAQFGMZLOHMAR-OAHLLOKOSA-N 0 0 344.436 4.076 50 0 EIAARN CCC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cc(C)sc2C)c1 ZINC000048234980 564030127 /nfs/dbraw/zinc/03/01/27/564030127.db2.gz UMEAFRDBWDMYOK-LBPRGKRZSA-N 0 0 330.453 4.204 50 0 EIAARN COc1ccc(C)cc1[C@@H](C)NCc1c(Cl)nc2ccccn21 ZINC000048260471 564030289 /nfs/dbraw/zinc/03/02/89/564030289.db2.gz KOPAGVNVQIFKIZ-CYBMUJFWSA-N 0 0 329.831 4.156 50 0 EIAARN Cc1cc(C(=O)CCC(=O)N2c3ccccc3C[C@H]2C)c(C)s1 ZINC000048312284 564030807 /nfs/dbraw/zinc/03/08/07/564030807.db2.gz OSPHDJBXOAJOQD-GFCCVEGCSA-N 0 0 327.449 4.306 50 0 EIAARN COc1ccc2cc(C(=O)N(Cc3ccc(C)o3)C(C)C)[nH]c2c1 ZINC000048301650 564030827 /nfs/dbraw/zinc/03/08/27/564030827.db2.gz VXIAKMWFASJCDA-UHFFFAOYSA-N 0 0 326.396 4.129 50 0 EIAARN CCCc1noc([C@@H](C)Sc2nc(-c3ccc(F)cc3)c[nH]2)n1 ZINC000048314943 564030923 /nfs/dbraw/zinc/03/09/23/564030923.db2.gz HHDDRNCPOIJZSJ-SNVBAGLBSA-N 0 0 332.404 4.405 50 0 EIAARN CN(C)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)cn1 ZINC000048333349 564031132 /nfs/dbraw/zinc/03/11/32/564031132.db2.gz LERLDEUHSRSBFN-IBGZPJMESA-N 0 0 338.455 4.201 50 0 EIAARN Cc1nc(C)c(-c2nnc(SCc3nc4ccccc4o3)o2)s1 ZINC000048326512 564031182 /nfs/dbraw/zinc/03/11/82/564031182.db2.gz PKOGLHILQSSYKB-UHFFFAOYSA-N 0 0 344.421 4.243 50 0 EIAARN CC(C)(C)c1cc(NC(=O)COC2CCCCC2)n(C(C)(C)C)n1 ZINC000048342892 564031254 /nfs/dbraw/zinc/03/12/54/564031254.db2.gz AFULWYHDSKEZNA-UHFFFAOYSA-N 0 0 335.492 4.223 50 0 EIAARN O=C(Nc1ccccc1-n1cccn1)N(Cc1ccccc1)C1CC1 ZINC000048354155 564031306 /nfs/dbraw/zinc/03/13/06/564031306.db2.gz TXKIXYHIKKUXEI-UHFFFAOYSA-N 0 0 332.407 4.069 50 0 EIAARN O=C(CCC(=O)N1CCC[C@@H]1c1cccs1)c1ccc(F)cc1F ZINC000048678977 564032054 /nfs/dbraw/zinc/03/20/54/564032054.db2.gz LPTUVZREWNYOSO-OAHLLOKOSA-N 0 0 349.402 4.353 50 0 EIAARN O=C(/C=C/c1cccs1)N1CCC[C@@H](COCc2ccccc2)C1 ZINC000049031464 564032474 /nfs/dbraw/zinc/03/24/74/564032474.db2.gz QWJLWWOPPWAIPX-DOJUMQAQSA-N 0 0 341.476 4.217 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2F)c2cnn(Cc3ccccc3)c2N1 ZINC000049547503 564032780 /nfs/dbraw/zinc/03/27/80/564032780.db2.gz SXTZWIHNHOUUFR-OAHLLOKOSA-N 0 0 339.345 4.333 50 0 EIAARN Cc1ccccc1OCCn1cc(-c2cnn(-c3ccccc3)c2)cn1 ZINC000049581193 564032842 /nfs/dbraw/zinc/03/28/42/564032842.db2.gz JEXDQBRFRQBROB-UHFFFAOYSA-N 0 0 344.418 4.123 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCCCC[C@@H]1c1ccncc1 ZINC000049764934 564032864 /nfs/dbraw/zinc/03/28/64/564032864.db2.gz UXOVRRGRJJDKIX-VAMGGRTRSA-N 0 0 338.426 4.468 50 0 EIAARN CCNc1ncnc2sc(C(=O)NC3CCCCCCC3)c(C)c21 ZINC000012245877 564033227 /nfs/dbraw/zinc/03/32/27/564033227.db2.gz JEPKIYAGLSQDAD-UHFFFAOYSA-N 0 0 346.500 4.274 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2ccc(Br)cc2F)c1 ZINC000006761668 564033454 /nfs/dbraw/zinc/03/34/54/564033454.db2.gz VDXBPOWIAUVKFU-UHFFFAOYSA-N 0 0 336.160 4.043 50 0 EIAARN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)n1cnc2ccccc21 ZINC000043841640 564034312 /nfs/dbraw/zinc/03/43/12/564034312.db2.gz DXKKXMSEKVUNCJ-CZUORRHYSA-N 0 0 325.437 4.023 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)c1 ZINC000007904233 564034544 /nfs/dbraw/zinc/03/45/44/564034544.db2.gz QBASPNZUIAJLMM-UHFFFAOYSA-N 0 0 327.453 4.082 50 0 EIAARN Cc1nc2ccc(NC(=O)Nc3ccc(N(C)C)cc3)cc2s1 ZINC000000803408 564034547 /nfs/dbraw/zinc/03/45/47/564034547.db2.gz ZUSOZNBYVRPVNO-UHFFFAOYSA-N 0 0 326.425 4.315 50 0 EIAARN COc1cccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1OC ZINC000000818049 564035016 /nfs/dbraw/zinc/03/50/16/564035016.db2.gz UILJXDUYHZSOEU-NRFANRHFSA-N 0 0 349.434 4.465 50 0 EIAARN O=C(CCc1ccco1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000008278063 564035107 /nfs/dbraw/zinc/03/51/07/564035107.db2.gz MXPYZDHEIJKWCL-UHFFFAOYSA-N 0 0 337.404 4.227 50 0 EIAARN O=c1[nH]c2ccccc2n1CCCOc1ccc(Cl)cc1Cl ZINC000008314453 564035316 /nfs/dbraw/zinc/03/53/16/564035316.db2.gz PFSBCCDQAJRWFB-UHFFFAOYSA-N 0 0 337.206 4.106 50 0 EIAARN CC(C)c1noc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)n1 ZINC000219869171 564035542 /nfs/dbraw/zinc/03/55/42/564035542.db2.gz OMVFUQJDKJZAJY-ZDUSSCGKSA-N 0 0 344.440 4.103 50 0 EIAARN CCC[C@H]1COCCN1C(=O)c1cccc(-c2ccccc2OC)c1 ZINC000220225553 564035854 /nfs/dbraw/zinc/03/58/54/564035854.db2.gz GDNLQJRRBCKRPV-SFHVURJKSA-N 0 0 339.435 4.003 50 0 EIAARN O=C(NCc1nc(-c2ccccc2)c[nH]1)c1ccccc1C(F)(F)F ZINC000120652796 564035856 /nfs/dbraw/zinc/03/58/56/564035856.db2.gz ZBHUZELJZDCZNU-UHFFFAOYSA-N 0 0 345.324 4.026 50 0 EIAARN Cc1nc(-c2cccc(C(F)(F)F)c2)sc1-c1ccnc(N)n1 ZINC000221596886 564036307 /nfs/dbraw/zinc/03/63/07/564036307.db2.gz AOSWUVBMSLLGKO-UHFFFAOYSA-N 0 0 336.342 4.177 50 0 EIAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC(C)(C)CC ZINC000032967719 564036350 /nfs/dbraw/zinc/03/63/50/564036350.db2.gz MKXOLJNUMDNRTM-UHFFFAOYSA-N 0 0 336.439 4.037 50 0 EIAARN Cc1nc2ccccc2c2c1C[C@H]([C@@](C)(Cl)Br)O2 ZINC000000436227 564036673 /nfs/dbraw/zinc/03/66/73/564036673.db2.gz HIELOUZGQULWCY-TZMCWYRMSA-N 0 0 326.621 4.197 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)C1=NCCS1 ZINC000026441793 564040124 /nfs/dbraw/zinc/04/01/24/564040124.db2.gz WWWMCLIVIHAJBE-UHFFFAOYSA-N 0 0 345.855 4.477 50 0 EIAARN OCCCC[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2OCCC[C@H]21 ZINC000601008692 564043193 /nfs/dbraw/zinc/04/31/93/564043193.db2.gz RROYEMKQPPGUAQ-YNZJMPHRSA-N 0 0 330.255 4.418 50 0 EIAARN Cc1cccc(Cl)c1CC(=O)O[C@@H](C)c1nc2ccccc2n1C ZINC000225418307 564046547 /nfs/dbraw/zinc/04/65/47/564046547.db2.gz XDQAHGCKIBSKCL-ZDUSSCGKSA-N 0 0 342.826 4.382 50 0 EIAARN Cc1ncsc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000225475530 564047110 /nfs/dbraw/zinc/04/71/10/564047110.db2.gz XQCPLOOFAIOBNF-MRVPVSSYSA-N 0 0 331.224 4.164 50 0 EIAARN Cc1nc(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cs1 ZINC000225519313 564047519 /nfs/dbraw/zinc/04/75/19/564047519.db2.gz QBJARUFDZOOAEF-UHFFFAOYSA-N 0 0 348.431 4.351 50 0 EIAARN COc1ccc(C(=O)C[C@@H](C)C(=O)O[C@H](C)c2cccc(F)c2)cc1 ZINC000225618911 564048505 /nfs/dbraw/zinc/04/85/05/564048505.db2.gz LFFTVEHCTPKEOU-ZIAGYGMSSA-N 0 0 344.382 4.348 50 0 EIAARN Fc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn32)c1F ZINC000012390597 564050016 /nfs/dbraw/zinc/05/00/16/564050016.db2.gz CNGODQKRLMGUQX-UHFFFAOYSA-N 0 0 348.765 4.451 50 0 EIAARN C[C@@H](c1ccccc1)N1CNC(=S)N(c2ccccc2Cl)C1 ZINC000012401912 564050638 /nfs/dbraw/zinc/05/06/38/564050638.db2.gz POYHUBOZTGTCIB-ZDUSSCGKSA-N 0 0 331.872 4.013 50 0 EIAARN Cc1ccc(-c2noc([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)cc1 ZINC000012414356 564051129 /nfs/dbraw/zinc/05/11/29/564051129.db2.gz WOLRDUYFCRAXBG-KRWDZBQOSA-N 0 0 347.418 4.182 50 0 EIAARN Cc1cc([C@@H](C)NC(=O)N(C)C[C@@H](C)c2nccs2)c(C)s1 ZINC000182169338 564051230 /nfs/dbraw/zinc/05/12/30/564051230.db2.gz FLQDGWXUZZOPKL-ZYHUDNBSSA-N 0 0 337.514 4.328 50 0 EIAARN Cc1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c(C)c1 ZINC000239121068 564051572 /nfs/dbraw/zinc/05/15/72/564051572.db2.gz JFWAHTOTLIRFHK-GUDVDZBRSA-N 0 0 333.431 4.377 50 0 EIAARN COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)o1 ZINC000241171027 564051900 /nfs/dbraw/zinc/05/19/00/564051900.db2.gz KDRKSZNCOAVDBT-KSZLIROESA-N 0 0 343.398 4.032 50 0 EIAARN Cc1noc(C)c1C(C)(C)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000241588422 564052031 /nfs/dbraw/zinc/05/20/31/564052031.db2.gz PDBCHDVUZPLZLG-OAHLLOKOSA-N 0 0 332.831 4.026 50 0 EIAARN O=C(C[C@H](c1cccc(O)c1)c1ccccc1Cl)N1CCCCO1 ZINC000015063263 564053203 /nfs/dbraw/zinc/05/32/03/564053203.db2.gz NNYYXJRQBHLXIO-QGZVFWFLSA-N 0 0 345.826 4.122 50 0 EIAARN Cc1cc([C@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)on1 ZINC000052009112 564053267 /nfs/dbraw/zinc/05/32/67/564053267.db2.gz ZUDBLJSQNKXAQW-MRXNPFEDSA-N 0 0 327.359 4.114 50 0 EIAARN Cc1ccc(SCC(=O)Nc2cccc3nsnc32)c(C)c1 ZINC000019078642 564053327 /nfs/dbraw/zinc/05/33/27/564053327.db2.gz XLSYBHLOFBEUSI-UHFFFAOYSA-N 0 0 329.450 4.039 50 0 EIAARN COc1ccc(C2=CC=Nn3c(nnc3-c3ccccc3C)S2)cc1 ZINC000001017618 564054048 /nfs/dbraw/zinc/05/40/48/564054048.db2.gz QATORDSOHDENOB-UHFFFAOYSA-N 0 0 348.431 4.243 50 0 EIAARN COc1ccc(CN(C(=O)c2ccccc2Cl)C2CC2)c(OC)c1 ZINC000025291931 564054081 /nfs/dbraw/zinc/05/40/81/564054081.db2.gz PIEHAHVBRGNWEG-UHFFFAOYSA-N 0 0 345.826 4.162 50 0 EIAARN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1O ZINC000257350516 564055905 /nfs/dbraw/zinc/05/59/05/564055905.db2.gz YATPIFKIZZKJFX-ZRDSLKBOSA-N 0 0 334.500 4.322 50 0 EIAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@@](C)(O)C[C@]12C ZINC000257357094 564055949 /nfs/dbraw/zinc/05/59/49/564055949.db2.gz LZCICCXBBYHFCF-AKORGSRHSA-N 0 0 346.511 4.164 50 0 EIAARN Cc1cccc2cc(-c3noc(-c4ccccc4Cl)n3)c(=O)[nH]c12 ZINC000005818582 564056073 /nfs/dbraw/zinc/05/60/73/564056073.db2.gz KJCJCOBLUJGEDO-UHFFFAOYSA-N 0 0 337.766 4.207 50 0 EIAARN C[C@@H](NC(=O)N(Cc1ccoc1)C1CCCCC1)c1ccncc1 ZINC000073487266 564056494 /nfs/dbraw/zinc/05/64/94/564056494.db2.gz DUWIYTUVHVADCT-OAHLLOKOSA-N 0 0 327.428 4.280 50 0 EIAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3ccccc3n2)cc1C ZINC000005846792 564056598 /nfs/dbraw/zinc/05/65/98/564056598.db2.gz GQRQDSXKILJKFE-HNNXBMFYSA-N 0 0 333.387 4.280 50 0 EIAARN Cc1cc(C(=O)CSc2nnc(C)n2C2CCCCC2)c(C)n1C ZINC000005865626 564056733 /nfs/dbraw/zinc/05/67/33/564056733.db2.gz LETPQVNMYSOTJN-UHFFFAOYSA-N 0 0 346.500 4.022 50 0 EIAARN COC(=O)c1cc2c3ccccc3[nH]c2c(CCc2ccccc2)n1 ZINC000005905618 564056950 /nfs/dbraw/zinc/05/69/50/564056950.db2.gz VMELSXHEVWBWAF-UHFFFAOYSA-N 0 0 330.387 4.288 50 0 biogenic EIAARN Fc1ccc(NC(=S)N[C@H]2CCOc3ccccc32)cc1Cl ZINC000005937818 564057156 /nfs/dbraw/zinc/05/71/56/564057156.db2.gz VBQIVORFIREBDR-AWEZNQCLSA-N 0 0 336.819 4.289 50 0 EIAARN O=C(Nc1ccccc1N1CCCCC1)c1nccc2ccccc21 ZINC000063451307 564057483 /nfs/dbraw/zinc/05/74/83/564057483.db2.gz YZHFFDAXUFJEHC-UHFFFAOYSA-N 0 0 331.419 4.477 50 0 EIAARN C[C@@H](O)c1nc2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000006025055 564057649 /nfs/dbraw/zinc/05/76/49/564057649.db2.gz ZWDYYHUGIACZJP-SECBINFHSA-N 0 0 335.190 4.085 50 0 EIAARN Cc1cc([C@@H](NCc2ncccn2)c2ccccc2Cl)ccc1F ZINC000190380380 564057958 /nfs/dbraw/zinc/05/79/58/564057958.db2.gz CNJMLUSOPZWSTK-LJQANCHMSA-N 0 0 341.817 4.457 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCCCC1 ZINC000019118018 564058009 /nfs/dbraw/zinc/05/80/09/564058009.db2.gz VLFFLWKKPILFSY-UHFFFAOYSA-N 0 0 349.356 4.343 50 0 EIAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nocc5C[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000002040735 564058231 /nfs/dbraw/zinc/05/82/31/564058231.db2.gz NSYTUNFHWYMMHU-OROBAWOBSA-N 0 0 329.484 4.383 50 0 EIAARN CC(=O)c1cccc(NC(=O)CNc2ccc3c4c(cccc42)CC3)c1 ZINC000012534221 564058376 /nfs/dbraw/zinc/05/83/76/564058376.db2.gz WRBAMOQPFCQJDH-UHFFFAOYSA-N 0 0 344.414 4.192 50 0 EIAARN O=C1CSC2=NC(c3ccc(Cl)cc3)=C[C@@H](c3ccccc3)N12 ZINC000003210354 564058454 /nfs/dbraw/zinc/05/84/54/564058454.db2.gz SJSOCOIXCCYEKC-INIZCTEOSA-N 0 0 340.835 4.367 50 0 EIAARN S=C(NCCc1ccccn1)Nc1ccc(Oc2ccccc2)cc1 ZINC000012547032 564058928 /nfs/dbraw/zinc/05/89/28/564058928.db2.gz HRVZDLRXMHXETD-UHFFFAOYSA-N 0 0 349.459 4.403 50 0 EIAARN Clc1cccnc1SCc1cc(Cl)c2c(c1)OCCO2 ZINC000012553205 564059214 /nfs/dbraw/zinc/05/92/14/564059214.db2.gz MKGJXJJXKNOHBA-UHFFFAOYSA-N 0 0 328.220 4.452 50 0 EIAARN O=C(NCc1cccs1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000012554282 564059269 /nfs/dbraw/zinc/05/92/69/564059269.db2.gz PMCCBMUYNQKVKU-UHFFFAOYSA-N 0 0 345.427 4.288 50 0 EIAARN COc1cc(SC)ccc1C(=O)Nc1c(Cl)cncc1Cl ZINC000003335207 564059294 /nfs/dbraw/zinc/05/92/94/564059294.db2.gz KFSAZXZSMJZAOP-UHFFFAOYSA-N 0 0 343.235 4.371 50 0 EIAARN C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000003356315 564059419 /nfs/dbraw/zinc/05/94/19/564059419.db2.gz PQORYTRBVCGMRB-QMMMGPOBSA-N 0 0 328.721 4.196 50 0 EIAARN CCc1nnc(NC(=O)c2oc3ccccc3c2COC(C)C)s1 ZINC000003398296 564059542 /nfs/dbraw/zinc/05/95/42/564059542.db2.gz VSTQBCZBHBFMPV-UHFFFAOYSA-N 0 0 345.424 4.024 50 0 EIAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000012562718 564059630 /nfs/dbraw/zinc/05/96/30/564059630.db2.gz MNKNYVIYSABVKA-OXJNMPFZSA-N 0 0 336.435 4.049 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000003462625 564059731 /nfs/dbraw/zinc/05/97/31/564059731.db2.gz HTPWGHSESWPVEF-UHFFFAOYSA-N 0 0 346.814 4.095 50 0 EIAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccccn2)n1 ZINC000012567966 564059735 /nfs/dbraw/zinc/05/97/35/564059735.db2.gz YOCNCIRIFFIOGK-UHFFFAOYSA-N 0 0 334.404 4.247 50 0 EIAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C)cc2)c1 ZINC000003547915 564059935 /nfs/dbraw/zinc/05/99/35/564059935.db2.gz DCLADOFXYLAYMQ-UHFFFAOYSA-N 0 0 336.391 4.431 50 0 EIAARN Cc1sc2ncnc(SCC(=O)NC3CCCCCC3)c2c1C ZINC000003562729 564059948 /nfs/dbraw/zinc/05/99/48/564059948.db2.gz BQXVKMBYDZBSMH-UHFFFAOYSA-N 0 0 349.525 4.239 50 0 EIAARN CCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21 ZINC000003581974 564059981 /nfs/dbraw/zinc/05/99/81/564059981.db2.gz UDLPSRLMJCBPER-UHFFFAOYSA-N 0 0 329.425 4.079 50 0 EIAARN CSCC[C@@H](NC(=O)CC1CCCC1)c1nc2ccccc2[nH]1 ZINC000012579723 564060007 /nfs/dbraw/zinc/06/00/07/564060007.db2.gz PMSWBEKKIGZCKS-MRXNPFEDSA-N 0 0 331.485 4.054 50 0 EIAARN O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccncc1 ZINC000045050796 564060974 /nfs/dbraw/zinc/06/09/74/564060974.db2.gz SZSMZCDANGTPLB-UHFFFAOYSA-N 0 0 348.471 4.221 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)NCc1ccccc1 ZINC000263586217 564061520 /nfs/dbraw/zinc/06/15/20/564061520.db2.gz RJAOPZWJJGLMQC-LJQANCHMSA-N 0 0 349.434 4.053 50 0 EIAARN C[C@@H](c1ccc(-c2ncc(C(=O)[O-])cc2Cl)cc1)[NH+]1CCCC1 ZINC000534669301 564061537 /nfs/dbraw/zinc/06/15/37/564061537.db2.gz ZHYJAWFKVDLUNS-LBPRGKRZSA-N 0 0 330.815 4.257 50 0 EIAARN CC(C)N(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)C1CCC1 ZINC000078187102 564061855 /nfs/dbraw/zinc/06/18/55/564061855.db2.gz AFJUNTYPLXCNNG-UHFFFAOYSA-N 0 0 340.471 4.293 50 0 EIAARN COc1ccc(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(OC)c1 ZINC000078420528 564061945 /nfs/dbraw/zinc/06/19/45/564061945.db2.gz WRNWOVYZNFICJE-LJQANCHMSA-N 0 0 339.439 4.067 50 0 EIAARN Cc1cc(C)c2c(n1)sc1c2N[C@H](c2ccc(F)c(F)c2)NC1=O ZINC000012641085 564061990 /nfs/dbraw/zinc/06/19/90/564061990.db2.gz AJYBHKUJJANFNK-HNNXBMFYSA-N 0 0 345.374 4.045 50 0 EIAARN O=C(c1ccc(F)cc1)n1ccc(-c2ccc(OCCCF)cc2)n1 ZINC000004092241 564062057 /nfs/dbraw/zinc/06/20/57/564062057.db2.gz ODXKAHZEEHNYOF-UHFFFAOYSA-N 0 0 342.345 4.116 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 ZINC000012686416 564062662 /nfs/dbraw/zinc/06/26/62/564062662.db2.gz YJVLTYQXIAXHBM-UHFFFAOYSA-N 0 0 328.368 4.251 50 0 EIAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)C3CCCCC3)cc2c1 ZINC000001262029 564062785 /nfs/dbraw/zinc/06/27/85/564062785.db2.gz JWQBOSGBUIZLIG-UHFFFAOYSA-N 0 0 340.467 4.154 50 0 EIAARN O=C(CNc1cccc(Cl)c1F)N1CCC[C@@H]1c1cccs1 ZINC000052932939 564063139 /nfs/dbraw/zinc/06/31/39/564063139.db2.gz DLKBKXIMLYCBOU-CYBMUJFWSA-N 0 0 338.835 4.316 50 0 EIAARN O=S(=O)(NCCC1CCCC1)c1ccc2oc3ccccc3c2c1 ZINC000032109868 564063275 /nfs/dbraw/zinc/06/32/75/564063275.db2.gz YIMDLRYVCNUFOB-UHFFFAOYSA-N 0 0 343.448 4.445 50 0 EIAARN CCC(CC)C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000001359685 564063346 /nfs/dbraw/zinc/06/33/46/564063346.db2.gz DJROHJHWSBMWJV-OAHLLOKOSA-N 0 0 345.418 4.018 50 0 EIAARN COc1ccc(OC)c(CN(C(=O)c2cc(C)sc2C)C2CC2)c1 ZINC000025806994 564063391 /nfs/dbraw/zinc/06/33/91/564063391.db2.gz FMIVSSQMWIGHBQ-UHFFFAOYSA-N 0 0 345.464 4.187 50 0 EIAARN CN(C(=O)CNc1ccccc1N(C)C1CCCC1)c1ccccc1 ZINC000083869566 564064100 /nfs/dbraw/zinc/06/41/00/564064100.db2.gz RBGWNZXFIYWMSA-UHFFFAOYSA-N 0 0 337.467 4.140 50 0 EIAARN CN(C)c1nn(C(=O)Nc2ccc(Cl)cc2)cc1-c1ccccc1 ZINC000001384672 564064129 /nfs/dbraw/zinc/06/41/29/564064129.db2.gz PDFMNDQLOSXDPU-UHFFFAOYSA-N 0 0 340.814 4.350 50 0 EIAARN Cc1ccc(-c2noc(-c3c(Cl)n(C)nc3C(F)(F)F)n2)cc1 ZINC000001385385 564064188 /nfs/dbraw/zinc/06/41/88/564064188.db2.gz JQGGLWBKTGUHOS-UHFFFAOYSA-N 0 0 342.708 4.118 50 0 EIAARN COc1ccc(COCc2c(Cl)n(C)nc2-c2ccccc2)cc1 ZINC000001388798 564064332 /nfs/dbraw/zinc/06/43/32/564064332.db2.gz KADQRHUBMYOGRF-UHFFFAOYSA-N 0 0 342.826 4.466 50 0 EIAARN FC(F)(F)c1cnc(-c2cnc(-c3cccnc3)nc2)c(Cl)c1 ZINC000001397511 564064730 /nfs/dbraw/zinc/06/47/30/564064730.db2.gz ZRYWEFUWTBCMKR-UHFFFAOYSA-N 0 0 336.704 4.273 50 0 EIAARN O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(Cl)cc1 ZINC000001396614 564064903 /nfs/dbraw/zinc/06/49/03/564064903.db2.gz LQUOMFWYFCWNQK-UHFFFAOYSA-N 0 0 335.794 4.148 50 0 EIAARN Cc1cc(C(=O)CSc2ccccc2)cc(C)c1OC(=O)N(C)C ZINC000001400796 564064975 /nfs/dbraw/zinc/06/49/75/564064975.db2.gz VRPWLJSPLYHAQS-UHFFFAOYSA-N 0 0 343.448 4.339 50 0 EIAARN Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)Nc1ccccc1 ZINC000001401128 564064992 /nfs/dbraw/zinc/06/49/92/564064992.db2.gz YZVXFVBAKCKLBS-UHFFFAOYSA-N 0 0 341.798 4.427 50 0 EIAARN CCN(CC)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000012741814 564065439 /nfs/dbraw/zinc/06/54/39/564065439.db2.gz HSYRFIFIMJBJBC-UHFFFAOYSA-N 0 0 343.814 4.268 50 0 EIAARN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)Cc1ccsc1 ZINC000012743114 564065509 /nfs/dbraw/zinc/06/55/09/564065509.db2.gz SGVQNUIBOBISNN-LLVKDONJSA-N 0 0 342.386 4.226 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1cccc2cccnc21 ZINC000084019907 564065828 /nfs/dbraw/zinc/06/58/28/564065828.db2.gz BXGSSFRCUYCZEN-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN COC(=O)c1ccc2c(c1)CCCN2Cc1cc(C)nc2ccccc12 ZINC000084083434 564066292 /nfs/dbraw/zinc/06/62/92/564066292.db2.gz KKMMHTPKUAURDY-UHFFFAOYSA-N 0 0 346.430 4.283 50 0 EIAARN Cc1cc(C)nc(SCC(=O)N2CCC[C@H]2CC2CCCCC2)n1 ZINC000084114612 564066699 /nfs/dbraw/zinc/06/66/99/564066699.db2.gz XHZLPILRYWRCFG-KRWDZBQOSA-N 0 0 347.528 4.147 50 0 EIAARN COc1ccc(OCc2nc(-c3cc(C)nc4ccccc43)no2)cc1 ZINC000001423718 564066707 /nfs/dbraw/zinc/06/67/07/564066707.db2.gz IAAFFFRHUACEJU-UHFFFAOYSA-N 0 0 347.374 4.181 50 0 EIAARN CCc1c2c(nn1-c1ccccc1F)C[C@H](c1ccccc1)CC2=O ZINC000001423589 564066726 /nfs/dbraw/zinc/06/67/26/564066726.db2.gz LFAJENSHTIPWHX-HNNXBMFYSA-N 0 0 334.394 4.487 50 0 EIAARN O=c1cc(-c2ccc(Cl)cc2)sc2nnc(-c3ccccc3)n21 ZINC000001425164 564066752 /nfs/dbraw/zinc/06/67/52/564066752.db2.gz MWJPJDBFJPKMHJ-UHFFFAOYSA-N 0 0 339.807 4.138 50 0 EIAARN Cc1cc(NC(=O)c2cccc(Cl)c2)n(-c2cccc(F)c2)n1 ZINC000001427030 564066797 /nfs/dbraw/zinc/06/67/97/564066797.db2.gz CDLMDYZBRPRCHN-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN O=c1cc(-c2ccccc2)sc2nnc(-c3ccc(Cl)cc3)n21 ZINC000001432487 564067058 /nfs/dbraw/zinc/06/70/58/564067058.db2.gz YGEZINOAUPOHGT-UHFFFAOYSA-N 0 0 339.807 4.138 50 0 EIAARN CC(C)(C)Cc1noc2ncc(C(=O)NC3CCCCCC3)cc12 ZINC000084169923 564067108 /nfs/dbraw/zinc/06/71/08/564067108.db2.gz ADICDZTXUGRUKG-UHFFFAOYSA-N 0 0 329.444 4.264 50 0 EIAARN Fc1cccc(Cl)c1CN(Cc1nnsc1Cl)C1CC1 ZINC000053143700 564067180 /nfs/dbraw/zinc/06/71/80/564067180.db2.gz NPPVTRMKHHULEI-UHFFFAOYSA-N 0 0 332.231 4.149 50 0 EIAARN O=c1[nH]c(-c2ccc(OCc3ccccc3F)cc2)nc2ccccc12 ZINC000004997716 564067361 /nfs/dbraw/zinc/06/73/61/564067361.db2.gz RSSAOPSMMVVUBV-UHFFFAOYSA-N 0 0 346.361 4.308 50 0 EIAARN CC(C)Oc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2F)cc1 ZINC000073924082 564067481 /nfs/dbraw/zinc/06/74/81/564067481.db2.gz WXZZWUPCXLOSMK-RBUKOAKNSA-N 0 0 341.426 4.075 50 0 EIAARN Cc1ccccc1-c1cc(NCc2c[nH]nc2-c2cccs2)n(C)n1 ZINC000084247656 564067507 /nfs/dbraw/zinc/06/75/07/564067507.db2.gz ANMFTPWXVYJWIV-UHFFFAOYSA-N 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/nfs/dbraw/zinc/07/04/49/564070449.db2.gz BPDJEIBUWBRMBV-UHFFFAOYSA-N 0 0 335.407 4.179 50 0 EIAARN CSc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000004303513 564072317 /nfs/dbraw/zinc/07/23/17/564072317.db2.gz QRKYMGMLBKZQES-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2cccc(OC(C)C)c2)S1 ZINC000085412207 564072874 /nfs/dbraw/zinc/07/28/74/564072874.db2.gz NPKPWHXPKLHLEM-MRXNPFEDSA-N 0 0 345.468 4.431 50 0 EIAARN C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1ccccc1F ZINC000012813335 564072991 /nfs/dbraw/zinc/07/29/91/564072991.db2.gz WSEANLGDOJUBKM-NSHDSACASA-N 0 0 349.431 4.376 50 0 EIAARN Cc1cnc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)s1 ZINC000012817264 564073183 /nfs/dbraw/zinc/07/31/83/564073183.db2.gz JWISJKWQOBBBDP-UHFFFAOYSA-N 0 0 341.436 4.295 50 0 EIAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@H]1CC=CCC1 ZINC000085470993 564073391 /nfs/dbraw/zinc/07/33/91/564073391.db2.gz VQFCRGHUXVCLIC-ZDUSSCGKSA-N 0 0 330.428 4.230 50 0 EIAARN O=C(CSc1cc(Cl)ccc1Cl)NCc1cccs1 ZINC000006080401 564073598 /nfs/dbraw/zinc/07/35/98/564073598.db2.gz FUZGMOKDOHRTAX-UHFFFAOYSA-N 0 0 332.277 4.463 50 0 EIAARN Cc1nc2ccc(NC(=O)COc3cccc4cccnc43)cc2s1 ZINC000006083420 564073646 /nfs/dbraw/zinc/07/36/46/564073646.db2.gz CUKQXJWYKQGGOX-UHFFFAOYSA-N 0 0 349.415 4.170 50 0 EIAARN O=C(/C=C/c1ccccc1)N1CCC2(CCc3ccccc3O2)CC1 ZINC000085557787 564073932 /nfs/dbraw/zinc/07/39/32/564073932.db2.gz VZZJDOQNERJCIQ-ZHACJKMWSA-N 0 0 333.431 4.086 50 0 EIAARN O=C(Nc1ccccc1)N1CCC(CSc2ccccn2)CC1 ZINC000085557641 564073943 /nfs/dbraw/zinc/07/39/43/564073943.db2.gz IWVYRUAWVCOSRT-UHFFFAOYSA-N 0 0 327.453 4.118 50 0 EIAARN C[C@@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)c1ccccc1 ZINC000012820652 564074322 /nfs/dbraw/zinc/07/43/22/564074322.db2.gz LGEUXZVAIDGCSO-LLVKDONJSA-N 0 0 343.429 4.300 50 0 EIAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000000422569 564074960 /nfs/dbraw/zinc/07/49/60/564074960.db2.gz IVIMGPLKOOLYCD-UHFFFAOYSA-N 0 0 330.796 4.365 50 0 EIAARN O=C(c1cc2ccccc2s1)N1CCC(O)(c2ccccc2)CC1 ZINC000185899799 564075078 /nfs/dbraw/zinc/07/50/78/564075078.db2.gz YNDQVDOKJQSZPM-UHFFFAOYSA-N 0 0 337.444 4.025 50 0 EIAARN O=C(CSc1nc(=O)c2sccc2[nH]1)c1ccc(Cl)cc1 ZINC000012850247 564075277 /nfs/dbraw/zinc/07/52/77/564075277.db2.gz RAUNCOYJGMPERU-UHFFFAOYSA-N 0 0 336.825 4.025 50 0 EIAARN Cc1cc(C)cc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)c1 ZINC000015822106 564075446 /nfs/dbraw/zinc/07/54/46/564075446.db2.gz KKJAIFPTZAOMBL-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1OC ZINC000012859032 564075678 /nfs/dbraw/zinc/07/56/78/564075678.db2.gz XBTCMCAJMUILCM-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1CCc2ccccc21 ZINC000012867470 564075877 /nfs/dbraw/zinc/07/58/77/564075877.db2.gz KDHNYMFAGUGKRQ-OAHLLOKOSA-N 0 0 336.218 4.176 50 0 EIAARN O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccccc2)N1Cc1ccccc1 ZINC000059102238 564076160 /nfs/dbraw/zinc/07/61/60/564076160.db2.gz LSWFEKFANVJTSQ-NHCUHLMSSA-N 0 0 341.410 4.005 50 0 EIAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCC(C)C)c12 ZINC000012875860 564076594 /nfs/dbraw/zinc/07/65/94/564076594.db2.gz NQLYBFFSRVVQCT-UHFFFAOYSA-N 0 0 341.386 4.113 50 0 EIAARN CC(C)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000012879102 564076683 /nfs/dbraw/zinc/07/66/83/564076683.db2.gz IFKPXQDZSLUUJI-UHFFFAOYSA-N 0 0 341.436 4.493 50 0 EIAARN CCCCN(C)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C ZINC000012886656 564077478 /nfs/dbraw/zinc/07/74/78/564077478.db2.gz LNJNRSNDWIHFJM-UHFFFAOYSA-N 0 0 343.452 4.440 50 0 EIAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1Cl ZINC000012884622 564077479 /nfs/dbraw/zinc/07/74/79/564077479.db2.gz NHUPLYIYWHMOBZ-UHFFFAOYSA-N 0 0 349.217 4.138 50 0 EIAARN Cc1ccc(NCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1F ZINC000012889434 564077536 /nfs/dbraw/zinc/07/75/36/564077536.db2.gz UHYKMHPWWLIYGT-CQSZACIVSA-N 0 0 344.455 4.464 50 0 EIAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccoc1 ZINC000012891563 564077584 /nfs/dbraw/zinc/07/75/84/564077584.db2.gz VMBXPZGCMAJXRO-UHFFFAOYSA-N 0 0 336.178 4.084 50 0 EIAARN Fc1ccc(NCc2noc(-c3cccc(Cl)c3)n2)c(F)c1F ZINC000121321462 564077858 /nfs/dbraw/zinc/07/78/58/564077858.db2.gz YVIYEPLBXHXRAM-UHFFFAOYSA-N 0 0 339.704 4.419 50 0 EIAARN COc1ccc(NC(=O)c2oc3c(cccc3F)c2C)cc1OC ZINC000012906451 564077867 /nfs/dbraw/zinc/07/78/67/564077867.db2.gz WVSUVNHXBFLYMR-UHFFFAOYSA-N 0 0 329.327 4.150 50 0 EIAARN CCC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000012913977 564077982 /nfs/dbraw/zinc/07/79/82/564077982.db2.gz ZIWLSDMPVXQZEF-LJQANCHMSA-N 0 0 336.435 4.306 50 0 EIAARN O=C(Nc1cnn(-c2ccccc2F)c1)c1cccc(F)c1Cl ZINC000088232257 564078555 /nfs/dbraw/zinc/07/85/55/564078555.db2.gz KZUMDEGGBIDCCN-UHFFFAOYSA-N 0 0 333.725 4.056 50 0 EIAARN CC(=O)Nc1ccc(F)c(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000088350967 564078997 /nfs/dbraw/zinc/07/89/97/564078997.db2.gz DHJGISXDCKIPDA-NSHDSACASA-N 0 0 347.365 4.114 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000575443039 564079460 /nfs/dbraw/zinc/07/94/60/564079460.db2.gz DTIMJGYGBDYIEF-KDOFPFPSSA-N 0 0 336.439 4.150 50 0 EIAARN C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000016086527 564079632 /nfs/dbraw/zinc/07/96/32/564079632.db2.gz HRGLUQIBHSTGQV-QMMMGPOBSA-N 0 0 336.265 4.094 50 0 EIAARN Clc1ccc(-c2cnc(COc3ccc4c[nH]nc4c3)o2)cc1 ZINC000075094579 564079971 /nfs/dbraw/zinc/07/99/71/564079971.db2.gz XJBSKWCOMWOINY-UHFFFAOYSA-N 0 0 325.755 4.450 50 0 EIAARN CCOC(=O)Nc1c2oc(C(C)(C)OC)nc2c(Cl)cc1F ZINC000075286098 564081548 /nfs/dbraw/zinc/08/15/48/564081548.db2.gz DYNWAAXOZJXECW-UHFFFAOYSA-N 0 0 330.743 4.070 50 0 EIAARN Cc1nn(CCNC(=O)Nc2cccs2)c(C)c1-c1cccs1 ZINC000575612972 564082733 /nfs/dbraw/zinc/08/27/33/564082733.db2.gz QYSQZPULRXJMRA-UHFFFAOYSA-N 0 0 346.481 4.112 50 0 EIAARN CONC(=O)c1c2ccccc2nc2c1C[C@@H](C)C/C2=C/c1ccco1 ZINC000053720378 564082766 /nfs/dbraw/zinc/08/27/66/564082766.db2.gz JAVVRQBSVAHONH-BSHRGCEOSA-N 0 0 348.402 4.242 50 0 EIAARN CCOc1ccccc1Nc1nnc(S[C@H]2CCCCC2=O)s1 ZINC000006223735 564083078 /nfs/dbraw/zinc/08/30/78/564083078.db2.gz ANCIQTNVNSEHRJ-AWEZNQCLSA-N 0 0 349.481 4.284 50 0 EIAARN CCc1ccc(-c2nc(SCCOc3ccccc3)n[nH]2)cc1 ZINC000006225496 564083080 /nfs/dbraw/zinc/08/30/80/564083080.db2.gz UCPSGGOXMWLDSC-UHFFFAOYSA-N 0 0 325.437 4.205 50 0 EIAARN COc1ccccc1CNC(=O)c1ccccc1Cc1ccccc1 ZINC000006288763 564083608 /nfs/dbraw/zinc/08/36/08/564083608.db2.gz GAFQSNOEUVIHFL-UHFFFAOYSA-N 0 0 331.415 4.216 50 0 EIAARN O=C(NCc1cncc(-c2ccco2)c1)Nc1cccc2cccnc21 ZINC000575618908 564083685 /nfs/dbraw/zinc/08/36/85/564083685.db2.gz RDAQYGYMKKCMDT-UHFFFAOYSA-N 0 0 344.374 4.212 50 0 EIAARN CC[C@@H](C(=O)NCc1nccnc1-c1ccsc1)c1ccccc1 ZINC000575619667 564083793 /nfs/dbraw/zinc/08/37/93/564083793.db2.gz OIPNVZFEBAKSTO-MRXNPFEDSA-N 0 0 337.448 4.015 50 0 EIAARN O=C(Nc1cc(-n2ccc3ccccc32)ncn1)c1ccccc1Cl ZINC000090614283 564084986 /nfs/dbraw/zinc/08/49/86/564084986.db2.gz QFKFUTTYAIQSKD-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN C[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc(Cl)cc1Cl ZINC000147192626 564084988 /nfs/dbraw/zinc/08/49/88/564084988.db2.gz NKMRDMHAHZINGL-SECBINFHSA-N 0 0 344.267 4.353 50 0 EIAARN O=C(COc1ccc(Cl)cc1)NCc1ccc(Cl)c(Cl)c1 ZINC000006333195 564085187 /nfs/dbraw/zinc/08/51/87/564085187.db2.gz XEAUSKQLWUIWOC-UHFFFAOYSA-N 0 0 344.625 4.342 50 0 EIAARN C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc21 ZINC000006383981 564085382 /nfs/dbraw/zinc/08/53/82/564085382.db2.gz BBEFAKISIFKUDD-ZDUSSCGKSA-N 0 0 346.386 4.006 50 0 EIAARN Cn1cc(CC(=O)Nc2nc(-c3ccco3)cs2)c2ccccc21 ZINC000035588288 564085391 /nfs/dbraw/zinc/08/53/91/564085391.db2.gz ZOFMPOQZJOOWMV-UHFFFAOYSA-N 0 0 337.404 4.076 50 0 EIAARN Brc1ccccc1NCc1cnn(Cc2ccccc2)c1 ZINC000035624202 564085537 /nfs/dbraw/zinc/08/55/37/564085537.db2.gz OFPMRDJYRDSMPD-UHFFFAOYSA-N 0 0 342.240 4.306 50 0 EIAARN CC(C)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000013005004 564086403 /nfs/dbraw/zinc/08/64/03/564086403.db2.gz HSPPEKNEFBTRPB-UHFFFAOYSA-N 0 0 328.359 4.347 50 0 EIAARN Cc1ccc(OCCC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000013006075 564086406 /nfs/dbraw/zinc/08/64/06/564086406.db2.gz DFYXPBLLCRQNMF-KRWDZBQOSA-N 0 0 345.439 4.256 50 0 EIAARN CC(C)c1nc2cc(CCC(=O)NCc3ccc(F)cc3)ccc2[nH]1 ZINC000075478746 564086647 /nfs/dbraw/zinc/08/66/47/564086647.db2.gz VEUFVRQJVXHIEV-UHFFFAOYSA-N 0 0 339.414 4.074 50 0 EIAARN O=C(Nc1ccnn1C1CCCC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000013017774 564086830 /nfs/dbraw/zinc/08/68/30/564086830.db2.gz WHUJEKGSEWBLFB-UHFFFAOYSA-N 0 0 343.814 4.066 50 0 EIAARN Cc1csc(=Nc2ccc(Cl)cc2)n1C(=O)c1cccs1 ZINC000252640073 564086978 /nfs/dbraw/zinc/08/69/78/564086978.db2.gz YQOGZLZKIHQRFJ-UHFFFAOYSA-N 0 0 334.853 4.494 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)c(O)c1 ZINC000006453951 564087829 /nfs/dbraw/zinc/08/78/29/564087829.db2.gz UAPGYPRLFWPUAC-UHFFFAOYSA-N 0 0 331.462 4.432 50 0 EIAARN COc1ccc(Cl)cc1-c1nc(SCCc2ccccc2)n[nH]1 ZINC000006463913 564089353 /nfs/dbraw/zinc/08/93/53/564089353.db2.gz WZCYVUXYQGZRPH-UHFFFAOYSA-N 0 0 345.855 4.469 50 0 EIAARN CO[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1Cl ZINC000121913766 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ZINC000064550182 564092168 /nfs/dbraw/zinc/09/21/68/564092168.db2.gz OIGHWJAUZXNKHR-UHFFFAOYSA-N 0 0 335.432 4.492 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)Nc1ccc(OC(F)F)cc1 ZINC000006588699 564092352 /nfs/dbraw/zinc/09/23/52/564092352.db2.gz XGPFAVHWLHOGEJ-UHFFFAOYSA-N 0 0 339.367 4.267 50 0 EIAARN O[C@@](c1c[nH]c2ccccc21)(c1nc2ccccc2o1)C(F)(F)F ZINC000006590350 564092403 /nfs/dbraw/zinc/09/24/03/564092403.db2.gz BKUMAGSGDZLWQD-INIZCTEOSA-N 0 0 332.281 4.107 50 0 EIAARN O=C(CNc1ccccc1F)NC(c1ccccc1)c1ccccc1 ZINC000006602333 564092696 /nfs/dbraw/zinc/09/26/96/564092696.db2.gz JQZXNVOLULDSFU-UHFFFAOYSA-N 0 0 334.394 4.143 50 0 EIAARN Cc1noc(C)c1N(C)C(=O)Nc1cccc(COC(C)C)c1C ZINC000089540400 564092765 /nfs/dbraw/zinc/09/27/65/564092765.db2.gz QWKGWTJJTJSRAQ-UHFFFAOYSA-N 0 0 331.416 4.193 50 0 EIAARN COCCCN(Cc1ccc(C)cc1)C(=O)N[C@@H](C)c1cccs1 ZINC000426401728 564093618 /nfs/dbraw/zinc/09/36/18/564093618.db2.gz HEAASZDAPCACED-INIZCTEOSA-N 0 0 346.496 4.366 50 0 EIAARN CCCc1cnc(C)nc1-c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000426406330 564093624 /nfs/dbraw/zinc/09/36/24/564093624.db2.gz RPQJDJHMXCHANN-UHFFFAOYSA-N 0 0 337.467 4.421 50 0 EIAARN COCCN(CC1CC1)C(=O)c1ccc(-c2ccc(F)c(C)c2)cc1 ZINC000426409422 564093631 /nfs/dbraw/zinc/09/36/31/564093631.db2.gz PCSOSJQUBFUGLG-UHFFFAOYSA-N 0 0 341.426 4.300 50 0 EIAARN COCC1(N(C)C(=O)c2ccc(-c3ccccc3SC)cc2)CC1 ZINC000426445545 564093789 /nfs/dbraw/zinc/09/37/89/564093789.db2.gz LFVIQIICYLYGIS-UHFFFAOYSA-N 0 0 341.476 4.327 50 0 EIAARN CO[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3SC)cc2)C1 ZINC000426479727 564093821 /nfs/dbraw/zinc/09/38/21/564093821.db2.gz KHNRVNBAANSUDO-QGZVFWFLSA-N 0 0 341.476 4.327 50 0 EIAARN CC(C)COc1ccccc1-c1c[nH]c(C(=O)N2CCCCC2)c1 ZINC000426511497 564093947 /nfs/dbraw/zinc/09/39/47/564093947.db2.gz AFAQERICECBDQX-UHFFFAOYSA-N 0 0 326.440 4.343 50 0 EIAARN Cc1ccc(CN(C(=O)c2ccc(-c3cnccn3)cc2)C2CC2)s1 ZINC000426526314 564093977 /nfs/dbraw/zinc/09/39/77/564093977.db2.gz WJCNRTBSYWEHAS-UHFFFAOYSA-N 0 0 349.459 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/nfs/dbraw/zinc/09/53/18/564095318.db2.gz OHGJPJUWJJECML-UHFFFAOYSA-N 0 0 333.447 4.414 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)OCCOc3ccccc3F)c2c1 ZINC000006652803 564095403 /nfs/dbraw/zinc/09/54/03/564095403.db2.gz TVYSOCLMUFEBQU-UHFFFAOYSA-N 0 0 339.366 4.227 50 0 EIAARN O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1F ZINC000007972891 564095540 /nfs/dbraw/zinc/09/55/40/564095540.db2.gz IVUMUSIKULWHPN-UHFFFAOYSA-N 0 0 330.256 4.034 50 0 EIAARN Cc1ccc(OC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)cn1 ZINC000064701581 564095578 /nfs/dbraw/zinc/09/55/78/564095578.db2.gz QOJJJIILBXLZAE-UHFFFAOYSA-N 0 0 347.418 4.064 50 0 EIAARN CC(C)CSc1nc2ccc(NS(=O)(=O)C(C)C)cc2s1 ZINC000064747863 564095822 /nfs/dbraw/zinc/09/58/22/564095822.db2.gz QWFDOYGFZWMBLL-UHFFFAOYSA-N 0 0 344.527 4.195 50 0 EIAARN CCOc1cc(C(=O)Nc2ccc(F)cc2F)nc2c(F)cccc12 ZINC000064755490 564095904 /nfs/dbraw/zinc/09/59/04/564095904.db2.gz BIEAGULITWWUPK-UHFFFAOYSA-N 0 0 346.308 4.303 50 0 EIAARN COc1c(C(=O)NCc2ccccc2C)sc2cccc(F)c21 ZINC000064756362 564095905 /nfs/dbraw/zinc/09/59/05/564095905.db2.gz WKYAJELNYUAFCB-UHFFFAOYSA-N 0 0 329.396 4.287 50 0 EIAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818547 564096557 /nfs/dbraw/zinc/09/65/57/564096557.db2.gz BYIAZGJJWPGPRA-UHFFFAOYSA-N 0 0 340.814 4.452 50 0 EIAARN CC(C)[C@H]1COC(c2cccn2Cc2ccccc2Br)=N1 ZINC000006729622 564096624 /nfs/dbraw/zinc/09/66/24/564096624.db2.gz DWJKXIGNOKJAEQ-OAHLLOKOSA-N 0 0 347.256 4.100 50 0 EIAARN CC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2C)c1 ZINC000006733846 564096635 /nfs/dbraw/zinc/09/66/35/564096635.db2.gz FPRCVMUFABOJNF-IBGZPJMESA-N 0 0 340.448 4.040 50 0 EIAARN CC(C)c1ccc(CSc2nnc(NC(=O)C3CC3)s2)cc1 ZINC000006740162 564096783 /nfs/dbraw/zinc/09/67/83/564096783.db2.gz KMWATXJQLCURAJ-UHFFFAOYSA-N 0 0 333.482 4.302 50 0 EIAARN CCCCCCNC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000006769880 564097461 /nfs/dbraw/zinc/09/74/61/564097461.db2.gz LAALVZPINQPINV-UHFFFAOYSA-N 0 0 342.483 4.285 50 0 EIAARN Cc1c2c(n(Cc3ccc(F)cc3)c1C(=O)NC(C)C)CCCC2 ZINC000006775017 564097539 /nfs/dbraw/zinc/09/75/39/564097539.db2.gz NTEISOQJDNWMLG-UHFFFAOYSA-N 0 0 328.431 4.001 50 0 EIAARN COc1ccc(CNC(=O)c2sc(-c3cccs3)nc2C)cc1 ZINC000006789141 564097854 /nfs/dbraw/zinc/09/78/54/564097854.db2.gz GAPIEDUBYAZFOE-UHFFFAOYSA-N 0 0 344.461 4.119 50 0 EIAARN COc1cc(C)c(NC(=O)c2ccc3c(c2)CCCC3)cc1OC ZINC000006789494 564097876 /nfs/dbraw/zinc/09/78/76/564097876.db2.gz WFWDRZVTUBWCGF-UHFFFAOYSA-N 0 0 325.408 4.143 50 0 EIAARN CC(C)[C@@H](NC(=O)c1ccccc1F)c1ccc2c(c1)OCCCO2 ZINC000006790036 564097910 /nfs/dbraw/zinc/09/79/10/564097910.db2.gz ZJRCGQMTJQAVFQ-LJQANCHMSA-N 0 0 343.398 4.114 50 0 EIAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccco1 ZINC000006792853 564098009 /nfs/dbraw/zinc/09/80/09/564098009.db2.gz OBOFJYFVCDNFOT-UHFFFAOYSA-N 0 0 333.390 4.109 50 0 EIAARN Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C3CC3)c2C(=O)[O-])cc1 ZINC000006795537 564098093 /nfs/dbraw/zinc/09/80/93/564098093.db2.gz OGSVVVRMGGYYLH-UHFFFAOYSA-N 0 0 348.446 4.257 50 0 EIAARN CC(C)c1ccc(NC(=O)[C@@H](C)n2sc3ccccc3c2=O)cc1 ZINC000006799944 564098153 /nfs/dbraw/zinc/09/81/53/564098153.db2.gz DSXABNLKKWTXMU-CYBMUJFWSA-N 0 0 340.448 4.386 50 0 EIAARN Cc1ccc(NC(=O)CCCn2sc3ccccc3c2=O)c(C)c1 ZINC000006800160 564098202 /nfs/dbraw/zinc/09/82/02/564098202.db2.gz YZGOOUVFCMNEHY-UHFFFAOYSA-N 0 0 340.448 4.099 50 0 EIAARN CCN1CCSc2ccc(C(=O)Nc3cc(C)ccc3C)cc21 ZINC000006802601 564098252 /nfs/dbraw/zinc/09/82/52/564098252.db2.gz INLGXOSBXXRWMP-UHFFFAOYSA-N 0 0 326.465 4.488 50 0 EIAARN CSc1cccc(NC(=O)c2sc(-n3cccc3)nc2C)c1 ZINC000006806384 564098334 /nfs/dbraw/zinc/09/83/34/564098334.db2.gz VWRQGJYDBGNKMR-UHFFFAOYSA-N 0 0 329.450 4.216 50 0 EIAARN Cc1cccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)c1C ZINC000006804387 564098361 /nfs/dbraw/zinc/09/83/61/564098361.db2.gz XITKPGYCVDKYAH-UHFFFAOYSA-N 0 0 346.430 4.311 50 0 EIAARN CCSc1ncc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000006810449 564098432 /nfs/dbraw/zinc/09/84/32/564098432.db2.gz MEMUVXDNPGDJFD-UHFFFAOYSA-N 0 0 342.251 4.456 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2cc(C)ccc2o1 ZINC000006811220 564098576 /nfs/dbraw/zinc/09/85/76/564098576.db2.gz DZPRELOURCHVEP-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN Cc1ccc(C(=O)n2c(=S)nc3sc4cc(C)ccc4n32)cc1 ZINC000006814386 564098644 /nfs/dbraw/zinc/09/86/44/564098644.db2.gz NXPQPQZKRIDKMM-UHFFFAOYSA-N 0 0 339.445 4.385 50 0 EIAARN Cn1nc(C(=O)NC2CCCCCC2)c2c1-c1ccccc1SC2 ZINC000006817617 564098746 /nfs/dbraw/zinc/09/87/46/564098746.db2.gz CNVSAQSMBJTDRZ-UHFFFAOYSA-N 0 0 341.480 4.145 50 0 EIAARN O=S(=O)(c1ccccc1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000064983940 564099081 /nfs/dbraw/zinc/09/90/81/564099081.db2.gz BJVUOJRSFZYCPF-GOSISDBHSA-N 0 0 333.428 4.132 50 0 EIAARN O=S(=O)(c1ccccc1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000064983942 564099092 /nfs/dbraw/zinc/09/90/92/564099092.db2.gz BJVUOJRSFZYCPF-SFHVURJKSA-N 0 0 333.428 4.132 50 0 EIAARN Cc1ccc2onc(CC(=O)N3CCC(Cc4ccccc4)CC3)c2c1 ZINC000006838778 564099352 /nfs/dbraw/zinc/09/93/52/564099352.db2.gz BTYOOOOGDOVUOH-UHFFFAOYSA-N 0 0 348.446 4.160 50 0 EIAARN Cc1ccc(C)c(N(C)C(=O)c2cccc3c2SCCC3=O)c1 ZINC000006841592 564099395 /nfs/dbraw/zinc/09/93/95/564099395.db2.gz XWHSBWWONQQQRV-UHFFFAOYSA-N 0 0 325.433 4.259 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)CCCOc1cccc(F)c1 ZINC000065005863 564099512 /nfs/dbraw/zinc/09/95/12/564099512.db2.gz GPZBQMNAWYBZDX-UHFFFAOYSA-N 0 0 333.407 4.018 50 0 EIAARN Cc1csc(=O)n1CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000006846650 564099571 /nfs/dbraw/zinc/09/95/71/564099571.db2.gz XWEPOBTTZAWCLH-UHFFFAOYSA-N 0 0 332.469 4.104 50 0 EIAARN Cn1ccnc1-c1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000065011515 564099595 /nfs/dbraw/zinc/09/95/95/564099595.db2.gz QOLKAUGFIPMWFB-UHFFFAOYSA-N 0 0 342.402 4.130 50 0 EIAARN COC(=O)c1cc(OCc2cccc(C)c2)c2cc(F)ccc2n1 ZINC000065033352 564099848 /nfs/dbraw/zinc/09/98/48/564099848.db2.gz FTKOHAIKQRDBNT-UHFFFAOYSA-N 0 0 325.339 4.048 50 0 EIAARN Cc1ccccc1-c1noc(-c2cc3cc(Cl)ccc3oc2=O)n1 ZINC000006868009 564100081 /nfs/dbraw/zinc/10/00/81/564100081.db2.gz NXOGMNQLJNRRQM-UHFFFAOYSA-N 0 0 338.750 4.472 50 0 EIAARN CC(C)CNC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058054 564100308 /nfs/dbraw/zinc/10/03/08/564100308.db2.gz SRGDFZZKQJHLBD-UHFFFAOYSA-N 0 0 347.418 4.322 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)c1ccccc1Oc1ccccc1 ZINC000006890120 564100746 /nfs/dbraw/zinc/10/07/46/564100746.db2.gz UQDLMWLYVSEAFA-UHFFFAOYSA-N 0 0 337.404 4.460 50 0 EIAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000065084332 564100829 /nfs/dbraw/zinc/10/08/29/564100829.db2.gz JGRDQXLOTDJGMH-UHFFFAOYSA-N 0 0 346.430 4.283 50 0 EIAARN Cc1ccc(OCc2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1 ZINC000065137158 564101493 /nfs/dbraw/zinc/10/14/93/564101493.db2.gz LBCUHJCQIQFYLL-UHFFFAOYSA-N 0 0 332.363 4.014 50 0 EIAARN CC1=C(C(=O)Nc2ccc(C)cc2C)C2(CCCCCC2)OC1=O ZINC000006933585 564101755 /nfs/dbraw/zinc/10/17/55/564101755.db2.gz XNRZEPUATDGBRH-UHFFFAOYSA-N 0 0 327.424 4.208 50 0 biogenic EIAARN O=C(Nc1cc(-c2ccsc2)no1)c1ccc(Br)o1 ZINC000065153107 564102041 /nfs/dbraw/zinc/10/20/41/564102041.db2.gz HMTVEYMIJVUDCM-UHFFFAOYSA-N 0 0 339.170 4.011 50 0 EIAARN CCOc1ccccc1OCCC(=O)Nc1cccc(SC)c1 ZINC000006974788 564102585 /nfs/dbraw/zinc/10/25/85/564102585.db2.gz WGWZWRMWDVBZMT-UHFFFAOYSA-N 0 0 331.437 4.215 50 0 EIAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NC3CCCC3)c12 ZINC000007003972 564102921 /nfs/dbraw/zinc/10/29/21/564102921.db2.gz WDELSCVXHQKBPB-UHFFFAOYSA-N 0 0 348.450 4.018 50 0 EIAARN CC[C@H](C)Cc1c(C)sc2[nH]c(CN3CCC(C)CC3)nc(=O)c12 ZINC000007003671 564102953 /nfs/dbraw/zinc/10/29/53/564102953.db2.gz GGNLXTIIRPWPNK-LBPRGKRZSA-N 0 0 347.528 4.114 50 0 EIAARN COc1ccc(-c2nc(Cc3noc(-c4ccccc4)n3)c(C)o2)cc1 ZINC000065247398 564103334 /nfs/dbraw/zinc/10/33/34/564103334.db2.gz DMEXNUOFTVNEQW-UHFFFAOYSA-N 0 0 347.374 4.299 50 0 EIAARN Fc1ccccc1-c1nnc(SCCc2ccncc2)n1C1CC1 ZINC000007035059 564103518 /nfs/dbraw/zinc/10/35/18/564103518.db2.gz ZCEISVKAXYYUBB-UHFFFAOYSA-N 0 0 340.427 4.149 50 0 EIAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(Cl)nc1 ZINC000524733888 564103805 /nfs/dbraw/zinc/10/38/05/564103805.db2.gz ZPLOCZVRDXDBDK-CQSZACIVSA-N 0 0 331.828 4.216 50 0 EIAARN CC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000007052395 564103883 /nfs/dbraw/zinc/10/38/83/564103883.db2.gz KGWWIIRGNTUMQP-UHFFFAOYSA-N 0 0 345.464 4.232 50 0 EIAARN Cc1nc(CSc2ccccc2C(=O)N2CCC2(C)C)cs1 ZINC000170015056 564104691 /nfs/dbraw/zinc/10/46/91/564104691.db2.gz UAHGCGVNPSZTJV-UHFFFAOYSA-N 0 0 332.494 4.368 50 0 EIAARN Cc1ccccc1[C@H](O)CSc1nnc2sc3ccccc3n12 ZINC000170003022 564104737 /nfs/dbraw/zinc/10/47/37/564104737.db2.gz FBJQMBXFPHKFKC-CQSZACIVSA-N 0 0 341.461 4.078 50 0 EIAARN Cc1oc(C2CCC2)nc1C(=O)NCc1ccccc1C(F)(F)F ZINC000065293544 564104807 /nfs/dbraw/zinc/10/48/07/564104807.db2.gz HZODFJGWJCZDHD-UHFFFAOYSA-N 0 0 338.329 4.199 50 0 EIAARN Cc1oc(C2CCC2)nc1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000065293576 564104818 /nfs/dbraw/zinc/10/48/18/564104818.db2.gz QWYITVJXBLPXFN-MRXNPFEDSA-N 0 0 325.412 4.013 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1ccccc1N1CCCC1 ZINC000007107174 564104883 /nfs/dbraw/zinc/10/48/83/564104883.db2.gz JNEBLBSRKFLXOH-UHFFFAOYSA-N 0 0 332.806 4.261 50 0 EIAARN O=C1C[C@H](c2cccs2)c2cnn(-c3ccc(Cl)cc3)c2N1 ZINC000065331321 564105324 /nfs/dbraw/zinc/10/53/24/564105324.db2.gz BBKNJQBNSBUODA-LBPRGKRZSA-N 0 0 329.812 4.061 50 0 EIAARN O=C1C[C@@H](c2cccc(Cl)c2)c2cnn(-c3ccc(F)cc3)c2N1 ZINC000065331494 564105350 /nfs/dbraw/zinc/10/53/50/564105350.db2.gz KMEKYLCJUUGDEL-HNNXBMFYSA-N 0 0 341.773 4.139 50 0 EIAARN O=C1C[C@H](c2ccccc2Cl)c2cnn(-c3ccc(F)cc3)c2N1 ZINC000065331493 564105360 /nfs/dbraw/zinc/10/53/60/564105360.db2.gz APJZCVJZBPAFHD-CQSZACIVSA-N 0 0 341.773 4.139 50 0 EIAARN O=C(Nc1ccc(CO)c(Cl)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000170083299 564105394 /nfs/dbraw/zinc/10/53/94/564105394.db2.gz BPLIEVNMYHWMFG-CABCVRRESA-N 0 0 336.218 4.228 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)NC(C)(C)c1ccccc1 ZINC000065402392 564105728 /nfs/dbraw/zinc/10/57/28/564105728.db2.gz UDKICUUHRZZQSQ-UHFFFAOYSA-N 0 0 334.419 4.244 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)CS[C@H](C)c2ccccc2)cc1 ZINC000007210790 564105800 /nfs/dbraw/zinc/10/58/00/564105800.db2.gz WKVHBJPNEGXQPH-CYBMUJFWSA-N 0 0 328.437 4.078 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1F ZINC000007263883 564106094 /nfs/dbraw/zinc/10/60/94/564106094.db2.gz NSVHZBXZOGDDMC-UHFFFAOYSA-N 0 0 327.277 4.170 50 0 EIAARN CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000007266944 564106106 /nfs/dbraw/zinc/10/61/06/564106106.db2.gz AVXZIECPWRJRCC-CYBMUJFWSA-N 0 0 332.444 4.007 50 0 EIAARN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000007308935 564106691 /nfs/dbraw/zinc/10/66/91/564106691.db2.gz JWXCAQZLNBVHDG-QMMMGPOBSA-N 0 0 336.265 4.094 50 0 EIAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000065516048 564106728 /nfs/dbraw/zinc/10/67/28/564106728.db2.gz AVLKEEKKDXKCCZ-GFCCVEGCSA-N 0 0 340.320 4.097 50 0 EIAARN O=C(CCc1ccccc1)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007339324 564106961 /nfs/dbraw/zinc/10/69/61/564106961.db2.gz MBYMBPNYPZYXOT-UHFFFAOYSA-N 0 0 342.782 4.066 50 0 EIAARN O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1 ZINC000007338667 564106968 /nfs/dbraw/zinc/10/69/68/564106968.db2.gz ZGXUZECSCKYLOC-UHFFFAOYSA-N 0 0 349.173 4.400 50 0 EIAARN CCOc1ccc2oc(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2c1 ZINC000007344352 564107303 /nfs/dbraw/zinc/10/73/03/564107303.db2.gz MMJVQNKOUHLKKB-UHFFFAOYSA-N 0 0 334.375 4.352 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000065548031 564107375 /nfs/dbraw/zinc/10/73/75/564107375.db2.gz LIUPZXPNLXEIEX-UHFFFAOYSA-N 0 0 344.827 4.003 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000007401826 564107914 /nfs/dbraw/zinc/10/79/14/564107914.db2.gz LHJHRXJOJZAALM-UHFFFAOYSA-N 0 0 327.472 4.344 50 0 EIAARN CC(C)CCC(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 ZINC000065622147 564108512 /nfs/dbraw/zinc/10/85/12/564108512.db2.gz WLMKCRSZMIZUER-HNNXBMFYSA-N 0 0 335.398 4.114 50 0 EIAARN CCc1nc2sccc2c(NC[C@H](O)c2ccccc2Cl)n1 ZINC000170590964 564108789 /nfs/dbraw/zinc/10/87/89/564108789.db2.gz FFYHGFZGYUCZAA-ZDUSSCGKSA-N 0 0 333.844 4.053 50 0 EIAARN CC(=O)Nc1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000007483242 564108825 /nfs/dbraw/zinc/10/88/25/564108825.db2.gz QSKYSYPELHZSNK-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN CCc1cccc2c(C(=O)COC(=O)C3(c4ccccc4)CC3)c[nH]c21 ZINC000007489590 564108875 /nfs/dbraw/zinc/10/88/75/564108875.db2.gz JAVHJDXKZAFCRF-UHFFFAOYSA-N 0 0 347.414 4.188 50 0 EIAARN CC1(C)CC[C@H](CSc2nnc(-c3ccccc3F)n2C2CC2)O1 ZINC000170599423 564109267 /nfs/dbraw/zinc/10/92/67/564109267.db2.gz ZKNBIDRDNMUOQC-CYBMUJFWSA-N 0 0 347.459 4.469 50 0 EIAARN Cc1nnc(-c2cccc(NCc3nc(-c4ccccc4)c[nH]3)c2)o1 ZINC000170600333 564109304 /nfs/dbraw/zinc/10/93/04/564109304.db2.gz UHCHJSQVTXUMRI-UHFFFAOYSA-N 0 0 331.379 4.047 50 0 EIAARN O=C(OCc1nc(-c2ccccc2)no1)C1(c2ccccc2)CCCC1 ZINC000007513269 564109478 /nfs/dbraw/zinc/10/94/78/564109478.db2.gz HPLKQDYBUJXJLU-UHFFFAOYSA-N 0 0 348.402 4.292 50 0 EIAARN C[C@@H](OCc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000170604750 564109526 /nfs/dbraw/zinc/10/95/26/564109526.db2.gz PCHMLULVPWRESZ-UONOGXRCSA-N 0 0 329.827 4.223 50 0 EIAARN O=C(N[C@@H]1CCCc2c(O)cccc21)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000170611448 564109805 /nfs/dbraw/zinc/10/98/05/564109805.db2.gz YEAYVLYAQSNVAZ-SOLBZPMBSA-N 0 0 341.838 4.343 50 0 EIAARN CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCCCCC(=O)[O-] ZINC000170612897 564109907 /nfs/dbraw/zinc/10/99/07/564109907.db2.gz AUUIKOHXTBVFOP-UHFFFAOYSA-N 0 0 343.471 4.120 50 0 EIAARN FC(F)(F)Oc1ccccc1NCc1cnn(-c2ccccc2)c1 ZINC000170624112 564110456 /nfs/dbraw/zinc/11/04/56/564110456.db2.gz RHRFZULYQJTSEO-UHFFFAOYSA-N 0 0 333.313 4.383 50 0 EIAARN CCc1ccccc1NC(=S)Nc1cc(C(=O)OC)ccc1C ZINC000013793277 564112055 /nfs/dbraw/zinc/11/20/55/564112055.db2.gz ZHPBAKNNBPBIOQ-UHFFFAOYSA-N 0 0 328.437 4.153 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000014260589 564112394 /nfs/dbraw/zinc/11/23/94/564112394.db2.gz LYDFNRIXNJXQLT-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN Cc1ccc(C(=O)N(C)c2ccc(OCc3nccs3)cc2)cc1 ZINC000089629595 564112805 /nfs/dbraw/zinc/11/28/05/564112805.db2.gz KLMORPQWMOAJPU-UHFFFAOYSA-N 0 0 338.432 4.307 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ccc(C)nc2Br)c(C)c1 ZINC000089626738 564112811 /nfs/dbraw/zinc/11/28/11/564112811.db2.gz WRBOPYVTBBBLEK-UHFFFAOYSA-N 0 0 333.229 4.330 50 0 EIAARN Cc1ccc(CC(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)s1 ZINC000089632205 564112832 /nfs/dbraw/zinc/11/28/32/564112832.db2.gz AERKQPHIXZCQIY-GOSISDBHSA-N 0 0 327.493 4.389 50 0 EIAARN CC(=O)Nc1cc(NCc2cc(F)cc3cccnc32)ccc1F ZINC000089785070 564113782 /nfs/dbraw/zinc/11/37/82/564113782.db2.gz BPJXLUHWTUSHDP-UHFFFAOYSA-N 0 0 327.334 4.084 50 0 EIAARN Cn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCc1ccccc1 ZINC000016841538 564113801 /nfs/dbraw/zinc/11/38/01/564113801.db2.gz NYFQJPWCYMSYIK-UHFFFAOYSA-N 0 0 347.443 4.221 50 0 EIAARN CC(C)(C)C(=O)CSc1nnc(Nc2cccc(F)c2)s1 ZINC000007576925 564114250 /nfs/dbraw/zinc/11/42/50/564114250.db2.gz ZYUKNEPKPXSVDF-UHFFFAOYSA-N 0 0 325.434 4.128 50 0 EIAARN Cc1n[nH]c(C)c1NC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000089871343 564114380 /nfs/dbraw/zinc/11/43/80/564114380.db2.gz LUECQIZKZXILDJ-UHFFFAOYSA-N 0 0 344.362 4.167 50 0 EIAARN O=C(c1ccccc1)C1CCN(c2ncncc2-c2ccccc2)CC1 ZINC000089851268 564114387 /nfs/dbraw/zinc/11/43/87/564114387.db2.gz BRDQDMAKARCZKS-UHFFFAOYSA-N 0 0 343.430 4.243 50 0 EIAARN O=C(NCCc1ccc2ccccc2n1)c1cc2ccccc2cc1O ZINC000089873148 564114585 /nfs/dbraw/zinc/11/45/85/564114585.db2.gz XOUVCZGDGSTCFQ-UHFFFAOYSA-N 0 0 342.398 4.066 50 0 EIAARN C[C@H](c1cccs1)N(C)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000089910150 564115288 /nfs/dbraw/zinc/11/52/88/564115288.db2.gz XNPOEYJMVYDXPL-KGLIPLIRSA-N 0 0 346.452 4.141 50 0 EIAARN C[C@H]1N(C(=O)Nc2ccccc2N2CCCCCC2)CCOC1(C)C ZINC000089919928 564115398 /nfs/dbraw/zinc/11/53/98/564115398.db2.gz CUKZZISYVZCDDV-MRXNPFEDSA-N 0 0 345.487 4.098 50 0 EIAARN Cc1cc2c(cc1C)[C@@H](N(C(=O)CCOC(C)C)C1CC1)CCCO2 ZINC000076093393 564115693 /nfs/dbraw/zinc/11/56/93/564115693.db2.gz UELICCNBOJQZPH-IBGZPJMESA-N 0 0 345.483 4.323 50 0 EIAARN CCC[C@@]1(C(F)(F)F)CCCN1C(=O)[C@H](C)Oc1ccccc1 ZINC000089949918 564115829 /nfs/dbraw/zinc/11/58/29/564115829.db2.gz MIRZNFXNRJKJHQ-BBRMVZONSA-N 0 0 329.362 4.178 50 0 EIAARN CCCCc1noc([C@H](C)SCC(=O)Nc2ccccc2C)n1 ZINC000089954881 564115885 /nfs/dbraw/zinc/11/58/85/564115885.db2.gz PGEZSHLOKBTDDZ-ZDUSSCGKSA-N 0 0 333.457 4.154 50 0 EIAARN O=C(CN1c2cccc3cccc(c23)C1=O)NC1CCCCCCC1 ZINC000014737504 564116141 /nfs/dbraw/zinc/11/61/41/564116141.db2.gz CNOFHIWHGFFALK-UHFFFAOYSA-N 0 0 336.435 4.029 50 0 EIAARN C[C@@H](c1ccccc1)N(C)C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000193023949 564116187 /nfs/dbraw/zinc/11/61/87/564116187.db2.gz UGZXSPXGIHQQDH-INIZCTEOSA-N 0 0 341.426 4.094 50 0 EIAARN Cc1ccc(-c2cc3c(=O)n(Cc4ccccc4Cl)ccn3n2)cc1 ZINC000017051488 564116266 /nfs/dbraw/zinc/11/62/66/564116266.db2.gz AHPPIFRVLSROCV-UHFFFAOYSA-N 0 0 349.821 4.173 50 0 EIAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)N1CCCCC1 ZINC000017156665 564116576 /nfs/dbraw/zinc/11/65/76/564116576.db2.gz VCKVYWGAOSPIJZ-UHFFFAOYSA-N 0 0 336.844 4.100 50 0 EIAARN O=C(NC(=O)c1ccccc1)Nc1ccc(SC(F)(F)F)cc1 ZINC000000462548 564116717 /nfs/dbraw/zinc/11/67/17/564116717.db2.gz YNESHEMPWNRDPW-UHFFFAOYSA-N 0 0 340.326 4.260 50 0 EIAARN C[C@@H](NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1 ZINC000000818535 564116805 /nfs/dbraw/zinc/11/68/05/564116805.db2.gz SKVIJGBIVSPOOH-OAHLLOKOSA-N 0 0 346.430 4.111 50 0 EIAARN CN(Cc1nc(-c2ccc(F)cc2F)cs1)C(=O)OC(C)(C)C ZINC000170637357 564117371 /nfs/dbraw/zinc/11/73/71/564117371.db2.gz FZAYXDLICIVUNQ-UHFFFAOYSA-N 0 0 340.395 4.455 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(F)c(F)c2)c1C ZINC000007807226 564117590 /nfs/dbraw/zinc/11/75/90/564117590.db2.gz OTNDIJLIGWYCHY-NSHDSACASA-N 0 0 337.391 4.476 50 0 EIAARN CCO[C@H]1C[C@H](Nc2nccc(C(F)(F)F)n2)C12CCCCC2 ZINC000170639420 564117638 /nfs/dbraw/zinc/11/76/38/564117638.db2.gz JODIFRYUSYKERB-STQMWFEESA-N 0 0 329.366 4.035 50 0 EIAARN O=c1ccc(-c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1 ZINC000007595809 564118896 /nfs/dbraw/zinc/11/88/96/564118896.db2.gz RFWBWUCJAGTXHK-UHFFFAOYSA-N 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Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000078848861 564137288 /nfs/dbraw/zinc/13/72/88/564137288.db2.gz GCDRXYGDMAFIPV-AUUYWEPGSA-N 0 0 343.471 4.309 50 0 EIAARN C[C@@H](NC(=O)CSc1ccncc1)c1ccc(-c2cccnc2)cc1 ZINC000078985793 564137516 /nfs/dbraw/zinc/13/75/16/564137516.db2.gz LPVOTKAGIFKDLI-OAHLLOKOSA-N 0 0 349.459 4.113 50 0 EIAARN COc1ccc(F)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000093548540 564137805 /nfs/dbraw/zinc/13/78/05/564137805.db2.gz UZMHABDGSDSZKI-UHFFFAOYSA-N 0 0 345.761 4.130 50 0 EIAARN C[C@H](C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1)n1ccnc1 ZINC000079073578 564137815 /nfs/dbraw/zinc/13/78/15/564137815.db2.gz RDDBNXWRGRKCHJ-FOIQADDNSA-N 0 0 345.402 4.096 50 0 EIAARN O=C(N[C@@H](CCO)C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000095426649 564140194 /nfs/dbraw/zinc/14/01/94/564140194.db2.gz ICINSIWSUACCAL-HNNXBMFYSA-N 0 0 330.255 4.055 50 0 EIAARN Cc1ccc(F)c(NC(=O)Nc2ccc(NC3CCOCC3)cc2)c1 ZINC000079101224 564137855 /nfs/dbraw/zinc/13/78/55/564137855.db2.gz 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Cc1cnc([C@@H](Nc2cc(C)nc(-c3ccccn3)n2)C2CC2)s1 ZINC000095402787 564139514 /nfs/dbraw/zinc/13/95/14/564139514.db2.gz BNDZATWDYUORRS-INIZCTEOSA-N 0 0 337.452 4.175 50 0 EIAARN CC(C)[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1ccccn1 ZINC000095409952 564139634 /nfs/dbraw/zinc/13/96/34/564139634.db2.gz CNNOFLIMJQRISO-RDTXWAMCSA-N 0 0 327.428 4.307 50 0 EIAARN CC(C)(C)c1cnc([S@](=O)Cc2ncc(-c3ccccc3)o2)s1 ZINC000095413808 564139703 /nfs/dbraw/zinc/13/97/03/564139703.db2.gz CZVJLJUGVLOTOO-QHCPKHFHSA-N 0 0 346.477 4.403 50 0 EIAARN Cc1ccsc1[C@H](C)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000095419870 564139838 /nfs/dbraw/zinc/13/98/38/564139838.db2.gz UQPFMVJBRHQYJZ-XJKSGUPXSA-N 0 0 329.444 4.369 50 0 EIAARN Clc1cc2cccnc2c(CNc2ccc(Cn3cncn3)cc2)c1 ZINC000095428639 564140287 /nfs/dbraw/zinc/14/02/87/564140287.db2.gz QMQSJYOEFWYNPZ-UHFFFAOYSA-N 0 0 349.825 4.140 50 0 EIAARN O=C(c1ccc(Cl)o1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000095434236 564140383 /nfs/dbraw/zinc/14/03/83/564140383.db2.gz 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CC[C@H](C(=O)Nc1ccccc1Cc1nc(C)no1)c1ccccc1 ZINC000096097049 564145185 /nfs/dbraw/zinc/14/51/85/564145185.db2.gz AFAQTQXKMTVJIJ-KRWDZBQOSA-N 0 0 335.407 4.101 50 0 EIAARN O=C(NCc1nn(C2CCCC2)c2c1CCCC2)Nc1cccs1 ZINC000096099253 564145244 /nfs/dbraw/zinc/14/52/44/564145244.db2.gz HWUQHKFBYUMSDC-UHFFFAOYSA-N 0 0 344.484 4.260 50 0 EIAARN CO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccc(C)s1 ZINC000096104721 564145333 /nfs/dbraw/zinc/14/53/33/564145333.db2.gz DSYKMGQVGCYXFM-AWEZNQCLSA-N 0 0 349.521 4.434 50 0 EIAARN COc1ccc(C(=O)NCC2(c3cccs3)CCCC2)cc1F ZINC000096120213 564145551 /nfs/dbraw/zinc/14/55/51/564145551.db2.gz SPDYWONEGRCDJH-UHFFFAOYSA-N 0 0 333.428 4.138 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccccc1F ZINC000096222982 564146006 /nfs/dbraw/zinc/14/60/06/564146006.db2.gz UWSVVCJRMLZDLM-SFHVURJKSA-N 0 0 338.382 4.123 50 0 EIAARN CC(C)[C@H](CC(N)=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096287552 564146406 /nfs/dbraw/zinc/14/64/06/564146406.db2.gz UGNMSXARHXYFJJ-SFHVURJKSA-N 0 0 338.426 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564151376 /nfs/dbraw/zinc/15/13/76/564151376.db2.gz WXJZKAYEBDGVHI-UHFFFAOYSA-N 0 0 348.424 4.175 50 0 EIAARN C[C@H](Sc1nnc2ccccn21)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002627745 564151393 /nfs/dbraw/zinc/15/13/93/564151393.db2.gz BAZGFMYMIVQKRU-ZDUSSCGKSA-N 0 0 339.464 4.390 50 0 EIAARN O=C(COc1ccccc1Cc1ccccc1)N1CCc2ccccc21 ZINC000002633668 564151546 /nfs/dbraw/zinc/15/15/46/564151546.db2.gz UDDSDKZQLHORPX-UHFFFAOYSA-N 0 0 343.426 4.246 50 0 EIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000002637513 564151588 /nfs/dbraw/zinc/15/15/88/564151588.db2.gz MAGBPTOJWLBFPF-SNVBAGLBSA-N 0 0 342.247 4.133 50 0 EIAARN O=C(OCc1cccc(F)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000028578018 564151624 /nfs/dbraw/zinc/15/16/24/564151624.db2.gz CDWHPEUIOAIDKJ-UHFFFAOYSA-N 0 0 344.313 4.494 50 0 EIAARN Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)ccc2[nH]1 ZINC000056309644 564152132 /nfs/dbraw/zinc/15/21/32/564152132.db2.gz PDHQOMJLRIMDAB-VXGBXAGGSA-N 0 0 325.334 4.179 50 0 EIAARN 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0 EIAARN Cc1cc(CNc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)no1 ZINC000057841836 564156114 /nfs/dbraw/zinc/15/61/14/564156114.db2.gz WVPJUGTYRDLSAV-KBPBESRZSA-N 0 0 341.455 4.022 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)N(c1ccccc1)C(C)C)c1ccccc1 ZINC000003225550 564156231 /nfs/dbraw/zinc/15/62/31/564156231.db2.gz QMIIDENLHDFQLE-LJQANCHMSA-N 0 0 339.435 4.165 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=O)NC[C@H](C)c3ccccc3)ccc12 ZINC000057866489 564156290 /nfs/dbraw/zinc/15/62/90/564156290.db2.gz OLMZNNVPMWKTPO-AWEZNQCLSA-N 0 0 336.391 4.027 50 0 EIAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(Br)cc1 ZINC000003233391 564156369 /nfs/dbraw/zinc/15/63/69/564156369.db2.gz RPLPPUADJVJGKL-RYUDHWBXSA-N 0 0 342.302 4.331 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)n1 ZINC000003236197 564156399 /nfs/dbraw/zinc/15/63/99/564156399.db2.gz SWQKRGPTCSBVMY-NRFANRHFSA-N 0 0 345.446 4.297 50 0 EIAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000003294553 564157116 /nfs/dbraw/zinc/15/71/16/564157116.db2.gz TVTGNBXDOPZBCB-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN O=C(OCc1ccc(COC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000003320805 564157308 /nfs/dbraw/zinc/15/73/08/564157308.db2.gz XKKDLHYPFCALQF-UHFFFAOYSA-N 0 0 346.382 4.401 50 0 EIAARN C[C@H]1CCc2c(sc3ncnc(N4CCc5ccccc5C4)c23)C1 ZINC000003317290 564157310 /nfs/dbraw/zinc/15/73/10/564157310.db2.gz GXORDYMNIWQHJE-ZDUSSCGKSA-N 0 0 335.476 4.379 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccccc1C(F)(F)F ZINC000003325502 564157311 /nfs/dbraw/zinc/15/73/11/564157311.db2.gz MMUNGXBIOKTBSC-UHFFFAOYSA-N 0 0 332.325 4.159 50 0 EIAARN O=C(COC(=O)c1ccccc1F)c1ccc2c(c1)-c1ccccc1C2 ZINC000003321934 564157320 /nfs/dbraw/zinc/15/73/20/564157320.db2.gz MGMOSEAQRPGNKC-UHFFFAOYSA-N 0 0 346.357 4.437 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000003326811 564157355 /nfs/dbraw/zinc/15/73/55/564157355.db2.gz IOEJZRHOEAUCCS-SFHVURJKSA-N 0 0 332.403 4.457 50 0 EIAARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc2ccccc2c1 ZINC000003330251 564157366 /nfs/dbraw/zinc/15/73/66/564157366.db2.gz NGZFHRAZFLSEQS-HXUWFJFHSA-N 0 0 348.446 4.390 50 0 EIAARN C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000003346138 564157574 /nfs/dbraw/zinc/15/75/74/564157574.db2.gz IUTIKYMHCCOMCC-AWEZNQCLSA-N 0 0 329.415 4.379 50 0 EIAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000003356520 564157637 /nfs/dbraw/zinc/15/76/37/564157637.db2.gz PXKUKTGUUXVTGA-UHFFFAOYSA-N 0 0 347.370 4.100 50 0 EIAARN Cc1csc(NC(=O)c2cc(Br)ccc2Cl)n1 ZINC000003353830 564157641 /nfs/dbraw/zinc/15/76/41/564157641.db2.gz PITYTPXURJJELY-UHFFFAOYSA-N 0 0 331.622 4.120 50 0 EIAARN CCc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003406320 564157986 /nfs/dbraw/zinc/15/79/86/564157986.db2.gz WURMMZFTDJLJOB-UHFFFAOYSA-N 0 0 329.343 4.069 50 0 EIAARN CCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1OCC ZINC000003434548 564158141 /nfs/dbraw/zinc/15/81/41/564158141.db2.gz PUUXHVJIPKBTQA-UHFFFAOYSA-N 0 0 336.338 4.406 50 0 EIAARN Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1C1CC1 ZINC000003445159 564158175 /nfs/dbraw/zinc/15/81/75/564158175.db2.gz BGMBFGQYIQQAGH-UHFFFAOYSA-N 0 0 325.437 4.291 50 0 EIAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)C1CCCC1 ZINC000003447948 564158192 /nfs/dbraw/zinc/15/81/92/564158192.db2.gz WWAUJSBCCISYQT-UHFFFAOYSA-N 0 0 338.407 4.076 50 0 EIAARN Cc1ccc2c(COC(=O)c3ccc(F)cc3F)cc(=O)oc2c1C ZINC000003449002 564158201 /nfs/dbraw/zinc/15/82/01/564158201.db2.gz NRBQAAVZQPOTJC-UHFFFAOYSA-N 0 0 344.313 4.045 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)c1cc(SC)ccc1Cl ZINC000003451628 564158208 /nfs/dbraw/zinc/15/82/08/564158208.db2.gz FPERCFOZTSZHLR-UHFFFAOYSA-N 0 0 349.839 4.491 50 0 EIAARN COc1ccc2c(CC(=O)Nc3nc(C(C)(C)C)cs3)coc2c1 ZINC000003528669 564158750 /nfs/dbraw/zinc/15/87/50/564158750.db2.gz NKHPVYPNEBGHMV-UHFFFAOYSA-N 0 0 344.436 4.377 50 0 EIAARN CSc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)cc1 ZINC000003585449 564159055 /nfs/dbraw/zinc/15/90/55/564159055.db2.gz MPPVJGKNAQALPG-UHFFFAOYSA-N 0 0 334.872 4.132 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000003608627 564159169 /nfs/dbraw/zinc/15/91/69/564159169.db2.gz FUXMHOICMJTYDF-UHFFFAOYSA-N 0 0 333.387 4.450 50 0 EIAARN Cc1c(C[NH2+]C2CCCC2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000015777246 564159202 /nfs/dbraw/zinc/15/92/02/564159202.db2.gz IWRWWVMTSHAWDC-UHFFFAOYSA-N 0 0 346.858 4.478 50 0 EIAARN COc1ccccc1CNC(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000003614889 564159226 /nfs/dbraw/zinc/15/92/26/564159226.db2.gz KMNLXWTVZDJMDX-UHFFFAOYSA-N 0 0 347.842 4.132 50 0 EIAARN CC[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1nc(C)cs1 ZINC000355146101 564159292 /nfs/dbraw/zinc/15/92/92/564159292.db2.gz LXHKKJXDWWUNKT-GFCCVEGCSA-N 0 0 330.787 4.264 50 0 EIAARN CCCn1cc([C@@H]2CC(=O)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000003656324 564159297 /nfs/dbraw/zinc/15/92/97/564159297.db2.gz SHVKZUGAIFMKMW-KRWDZBQOSA-N 0 0 346.430 4.407 50 0 EIAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031392097 564159369 /nfs/dbraw/zinc/15/93/69/564159369.db2.gz STVTTXDFLYMONX-HNNXBMFYSA-N 0 0 348.431 4.150 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1C ZINC000004033007 564160160 /nfs/dbraw/zinc/16/01/60/564160160.db2.gz BCYRXMPLRVXINV-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Cc1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ncccn12 ZINC000004033215 564160161 /nfs/dbraw/zinc/16/01/61/564160161.db2.gz MCNNOUSVRQLKFG-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN Cc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2C)CC1=O ZINC000004033325 564160175 /nfs/dbraw/zinc/16/01/75/564160175.db2.gz VZRHQGKTYWRQPQ-ZDUSSCGKSA-N 0 0 339.826 4.056 50 0 EIAARN CCn1cc(SCC(=O)Nc2ccccc2OC)c2ccccc21 ZINC000004060561 564160282 /nfs/dbraw/zinc/16/02/82/564160282.db2.gz JZEALQUMMIEJNB-UHFFFAOYSA-N 0 0 340.448 4.401 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)c1 ZINC000004070417 564160312 /nfs/dbraw/zinc/16/03/12/564160312.db2.gz FJIOPYPDBWMBTO-UHFFFAOYSA-N 0 0 327.384 4.213 50 0 EIAARN C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc2ccccc2o1 ZINC000004086526 564160466 /nfs/dbraw/zinc/16/04/66/564160466.db2.gz DFTJBFCOJRGGDH-UHFFFAOYSA-N 0 0 349.386 4.119 50 0 biogenic EIAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccccc2C)c1 ZINC000004120297 564160727 /nfs/dbraw/zinc/16/07/27/564160727.db2.gz UNWPWHQPWDZZCH-UHFFFAOYSA-N 0 0 338.476 4.357 50 0 EIAARN Cc1ccc(CSC2=NCCN2C(=O)c2ccccc2Cl)cc1 ZINC000004120375 564160731 /nfs/dbraw/zinc/16/07/31/564160731.db2.gz XOFDJLPGXVUNRI-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN CC(=O)c1cc(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)cs1 ZINC000670459214 564160946 /nfs/dbraw/zinc/16/09/46/564160946.db2.gz CGSQGEKXXSNSSJ-LJQANCHMSA-N 0 0 327.449 4.048 50 0 EIAARN Cc1nnc(SCC(=O)c2ccc(C)cc2)n1-c1cccc(C)c1 ZINC000004187113 564161088 /nfs/dbraw/zinc/16/10/88/564161088.db2.gz CLYDEGNDIKNGFX-UHFFFAOYSA-N 0 0 337.448 4.168 50 0 EIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)cc1C ZINC000004224455 564161149 /nfs/dbraw/zinc/16/11/49/564161149.db2.gz ZUXZYXNEMGUIRO-UHFFFAOYSA-N 0 0 339.420 4.081 50 0 EIAARN Cc1cc2ncn([C@H](C)c3nc([C@H]4CCOC4)cs3)c2cc1C ZINC000357726654 564161164 /nfs/dbraw/zinc/16/11/64/564161164.db2.gz HHWFARGNZSVECN-KGLIPLIRSA-N 0 0 327.453 4.223 50 0 EIAARN CC(C)(C)c1nc2cc(NC(=O)c3c(F)cccc3F)ccc2[nH]1 ZINC000032466077 564161485 /nfs/dbraw/zinc/16/14/85/564161485.db2.gz BONOUQWTPURQSA-UHFFFAOYSA-N 0 0 329.350 4.391 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1 ZINC000004303392 564161587 /nfs/dbraw/zinc/16/15/87/564161587.db2.gz PQSJKZCGQSIXKK-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C1CCCC1 ZINC000004305466 564161604 /nfs/dbraw/zinc/16/16/04/564161604.db2.gz BSBIWFUNXFWYGQ-GOSISDBHSA-N 0 0 340.492 4.158 50 0 EIAARN O=C(CCC1CCCC1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000007988208 564161895 /nfs/dbraw/zinc/16/18/95/564161895.db2.gz FDPNZVWPBIDFLH-UHFFFAOYSA-N 0 0 336.863 4.086 50 0 EIAARN Cc1nc2scc(-c3ccccc3)c2c(Oc2cccc[n+]2[O-])n1 ZINC000008063589 564162505 /nfs/dbraw/zinc/16/25/05/564162505.db2.gz DHMJYHWRNQYDRE-UHFFFAOYSA-N 0 0 335.388 4.092 50 0 EIAARN COc1c(Cl)cc(C(=O)NCCc2ccc(F)cc2)cc1Cl ZINC000008077674 564162578 /nfs/dbraw/zinc/16/25/78/564162578.db2.gz NHCSVCYONZRRFB-UHFFFAOYSA-N 0 0 342.197 4.114 50 0 EIAARN Cc1cc(C)c2c(-c3ccccc3)nc(SC[C@H]3CCCO3)n2n1 ZINC000008131008 564162973 /nfs/dbraw/zinc/16/29/73/564162973.db2.gz VOKJNAQHNFXITO-MRXNPFEDSA-N 0 0 339.464 4.284 50 0 EIAARN COc1ccc(CN(C)CC(=O)Nc2ccc(C(C)C)cc2)cc1F ZINC000008130895 564162988 /nfs/dbraw/zinc/16/29/88/564162988.db2.gz GPALRXPYUUVPBI-UHFFFAOYSA-N 0 0 344.430 4.028 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc2ccccc2[nH]1 ZINC000008136122 564163108 /nfs/dbraw/zinc/16/31/08/564163108.db2.gz ISBVANYPLBBDGK-UHFFFAOYSA-N 0 0 331.375 4.394 50 0 EIAARN NC(=O)c1ccc(Oc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000008157417 564163254 /nfs/dbraw/zinc/16/32/54/564163254.db2.gz CMIXVHYQJUTKLZ-UHFFFAOYSA-N 0 0 347.399 4.250 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000008237817 564163752 /nfs/dbraw/zinc/16/37/52/564163752.db2.gz HUPDXQADLOJSDV-GFCCVEGCSA-N 0 0 329.783 4.342 50 0 EIAARN COc1c(Cl)cc(C(=O)NCc2ccccc2F)cc1Cl ZINC000008246690 564163801 /nfs/dbraw/zinc/16/38/01/564163801.db2.gz NTGRFKQIMWPYIB-UHFFFAOYSA-N 0 0 328.170 4.071 50 0 EIAARN Cc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1F ZINC000008260153 564163880 /nfs/dbraw/zinc/16/38/80/564163880.db2.gz NPEXKQVQXQRSDI-UHFFFAOYSA-N 0 0 346.745 4.195 50 0 EIAARN Cc1ccccc1SCC(=O)N(C)Cc1nc2ccccc2s1 ZINC000008264469 564163884 /nfs/dbraw/zinc/16/38/84/564163884.db2.gz JZZVOAMEDJZPEY-UHFFFAOYSA-N 0 0 342.489 4.355 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)c(F)c1 ZINC000008297682 564164071 /nfs/dbraw/zinc/16/40/71/564164071.db2.gz YPBGMIJBSVYXOC-UHFFFAOYSA-N 0 0 328.368 4.280 50 0 EIAARN CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000008312030 564164194 /nfs/dbraw/zinc/16/41/94/564164194.db2.gz PXVSMQWCFFJOQB-AWEZNQCLSA-N 0 0 325.408 4.105 50 0 EIAARN O=C(CN1CCC[C@@H]1c1cccs1)Nc1cc(Cl)ccc1F ZINC000008320322 564164288 /nfs/dbraw/zinc/16/42/88/564164288.db2.gz HRLRULJAHABTAZ-CQSZACIVSA-N 0 0 338.835 4.316 50 0 EIAARN O=C1CCCN1c1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 ZINC000008324430 564164424 /nfs/dbraw/zinc/16/44/24/564164424.db2.gz FQEAQLLCWYFFIL-UHFFFAOYSA-N 0 0 336.416 4.310 50 0 EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cc(C)on2)o1 ZINC000066875404 564164578 /nfs/dbraw/zinc/16/45/78/564164578.db2.gz NJQKWAGLHHPWRJ-UHFFFAOYSA-N 0 0 348.406 4.027 50 0 EIAARN COc1ccc2cc(CN(C)C(=O)Cc3ccc(C)cc3)ccc2c1 ZINC000008360973 564164734 /nfs/dbraw/zinc/16/47/34/564164734.db2.gz NZIYDOJFPANGMP-UHFFFAOYSA-N 0 0 333.431 4.358 50 0 EIAARN CC[C@@H]([NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC000263578970 564164832 /nfs/dbraw/zinc/16/48/32/564164832.db2.gz UAMBJMPODORKPI-TVQRCGJNSA-N 0 0 338.860 4.286 50 0 EIAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc[nH]1 ZINC000008392129 564164972 /nfs/dbraw/zinc/16/49/72/564164972.db2.gz PRHOZDIRJYUFRA-UHFFFAOYSA-N 0 0 337.759 4.062 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)N[C@H]2CCCC[C@H]2C)s1 ZINC000008394805 564165080 /nfs/dbraw/zinc/16/50/80/564165080.db2.gz FQJQYDOCFNTAKD-RISCZKNCSA-N 0 0 349.525 4.041 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008407038 564165167 /nfs/dbraw/zinc/16/51/67/564165167.db2.gz SJDXXARNGLYFQM-INIZCTEOSA-N 0 0 343.810 4.089 50 0 EIAARN Cc1c(NC(=O)c2sccc2C2CC2)cccc1N1CCCC1=O ZINC000067208348 564165342 /nfs/dbraw/zinc/16/53/42/564165342.db2.gz CLKSICGYDDCJPA-UHFFFAOYSA-N 0 0 340.448 4.313 50 0 EIAARN Cc1cccc(CSc2nc3ccsc3c(=O)n2C2CC2)c1 ZINC000067259740 564165440 /nfs/dbraw/zinc/16/54/40/564165440.db2.gz IYWIFFLUSBJACO-UHFFFAOYSA-N 0 0 328.462 4.394 50 0 EIAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008494307 564165464 /nfs/dbraw/zinc/16/54/64/564165464.db2.gz ZLXCPFLVRREGHI-LLVKDONJSA-N 0 0 339.313 4.120 50 0 EIAARN CC(C)Oc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1cccnc1 ZINC000067295349 564165565 /nfs/dbraw/zinc/16/55/65/564165565.db2.gz ZEHVOXSTPGNRCF-CYBMUJFWSA-N 0 0 331.391 4.233 50 0 EIAARN Cc1nc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cs1 ZINC000038735368 564165612 /nfs/dbraw/zinc/16/56/12/564165612.db2.gz BXOBPSIBCLVJCT-UHFFFAOYSA-N 0 0 340.433 4.080 50 0 EIAARN CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccccc1OC ZINC000008558481 564165694 /nfs/dbraw/zinc/16/56/94/564165694.db2.gz YQCPVURREDFFCB-INIZCTEOSA-N 0 0 327.424 4.362 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3N2CCCCCC2)cc1Cl ZINC000008583097 564165834 /nfs/dbraw/zinc/16/58/34/564165834.db2.gz CXSYDZXJBNZAFE-UHFFFAOYSA-N 0 0 341.846 4.158 50 0 EIAARN Cc1nnc2c3ccccc3nc(Nc3ccc(F)cc3Cl)n12 ZINC000008594689 564165929 /nfs/dbraw/zinc/16/59/29/564165929.db2.gz FZERNKAIDGCVMH-UHFFFAOYSA-N 0 0 327.750 4.122 50 0 EIAARN Cc1cc(NC(=O)[C@H](Nc2cc(C)cc(C)c2)c2ccccc2)no1 ZINC000008704077 564166396 /nfs/dbraw/zinc/16/63/96/564166396.db2.gz AGZLJWUZCOFWRZ-LJQANCHMSA-N 0 0 335.407 4.392 50 0 EIAARN Cc1cc(NC(=O)[C@@H](Nc2cc(C)cc(C)c2)c2ccccc2)no1 ZINC000008704076 564166411 /nfs/dbraw/zinc/16/64/11/564166411.db2.gz AGZLJWUZCOFWRZ-IBGZPJMESA-N 0 0 335.407 4.392 50 0 EIAARN CSc1nnc(SCC(=O)c2cc(C)c(C)c(C)c2C)s1 ZINC000008762315 564167353 /nfs/dbraw/zinc/16/73/53/564167353.db2.gz PATDBPZTVXLNIX-UHFFFAOYSA-N 0 0 338.523 4.469 50 0 EIAARN O=C(Nc1ccc(NC(=O)C2CCCC2)c(C(F)(F)F)c1)C1CC1 ZINC000008755929 564167362 /nfs/dbraw/zinc/16/73/62/564167362.db2.gz MLVUJBXXENXOIK-UHFFFAOYSA-N 0 0 340.345 4.183 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000067945253 564167376 /nfs/dbraw/zinc/16/73/76/564167376.db2.gz HAOFFIMVXGKEHK-CABCVRRESA-N 0 0 328.799 4.041 50 0 EIAARN O=C(c1ccc(-n2cccc2)cc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000008777815 564167436 /nfs/dbraw/zinc/16/74/36/564167436.db2.gz ZRWCYRNVNIKBFS-UHFFFAOYSA-N 0 0 334.394 4.421 50 0 EIAARN CC(C)c1noc(-c2ccccc2C(=O)Nc2cccc(F)c2F)n1 ZINC000067991075 564167442 /nfs/dbraw/zinc/16/74/42/564167442.db2.gz CAALEJRXDWCTHM-UHFFFAOYSA-N 0 0 343.333 4.391 50 0 EIAARN CC[C@@H](C)NC(=O)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000008844289 564167470 /nfs/dbraw/zinc/16/74/70/564167470.db2.gz IVUVCYQAUYRPGB-CQSZACIVSA-N 0 0 347.418 4.045 50 0 EIAARN Cc1ccc(-c2cc(NC(=O)COc3ccc(C)c(C)c3)on2)cc1 ZINC000008869151 564167485 /nfs/dbraw/zinc/16/74/85/564167485.db2.gz 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CCO[C@H](C)c1nc(CN(Cc2cccc(O)c2)C2CC2)cs1 ZINC000076729185 564176489 /nfs/dbraw/zinc/17/64/89/564176489.db2.gz ISFUTXXRRXHOIY-CYBMUJFWSA-N 0 0 332.469 4.111 50 0 EIAARN C[C@H](C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccs1 ZINC000078089335 564176897 /nfs/dbraw/zinc/17/68/97/564176897.db2.gz VBYOVZBABQIPBM-NHYWBVRUSA-N 0 0 341.436 4.218 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000006515537 568414799 /nfs/dbraw/zinc/41/47/99/568414799.db2.gz WTOPNAVCZWSENI-UHFFFAOYSA-N 0 0 341.407 4.016 50 0 EIAARN O=C(c1cccs1)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135329 568421081 /nfs/dbraw/zinc/42/10/81/568421081.db2.gz KYMGNCHWHYTXLD-INIZCTEOSA-N 0 0 349.459 4.225 50 0 EIAARN O=c1c2ccccc2nc(SC[C@H]2CC2(Cl)Cl)n1C1CC1 ZINC000007861788 568421899 /nfs/dbraw/zinc/42/18/99/568421899.db2.gz KOXKIUNAUUVFIA-SECBINFHSA-N 0 0 341.263 4.017 50 0 EIAARN CC(=O)N1CCc2cc(N[C@@H](C)c3ncc(C(C)(C)C)o3)ccc21 ZINC000177414352 1021203596 /nfs/dbraw/zinc/20/35/96/1021203596.db2.gz 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ZINC000330226979 1023622179 /nfs/dbraw/zinc/62/21/79/1023622179.db2.gz PACUPTYKFNQNFK-AWEZNQCLSA-N 0 0 327.409 4.185 50 0 EIAARN COc1ccc(-c2csc(N)n2)cc1-c1cccc(-c2cc[nH]n2)c1 ZINC000020598220 1023683078 /nfs/dbraw/zinc/68/30/78/1023683078.db2.gz DGCKLZHGJOJSPF-UHFFFAOYSA-N 0 0 348.431 4.458 50 0 EIAARN CC(C)c1nnc(CN2CCCC[C@@H]2c2nc3ccccc3o2)o1 ZINC000328644444 1023725091 /nfs/dbraw/zinc/72/50/91/1023725091.db2.gz GPKBXSVVLAGFDL-CQSZACIVSA-N 0 0 326.400 4.061 50 0 EIAARN CC(C)c1ccc(OCCNC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000048344715 1024482307 /nfs/dbraw/zinc/48/23/07/1024482307.db2.gz HXJJNBYXHCVSIY-UHFFFAOYSA-N 0 0 336.435 4.029 50 0 EIAARN O=[N+]([O-])c1ccccc1NN=Cc1cc2ccccc2nc1Cl ZINC000254515426 1024958443 /nfs/dbraw/zinc/95/84/43/1024958443.db2.gz CTEVVGAECWBNSP-UHFFFAOYSA-N 0 0 326.743 4.242 50 0 EIAARN Cc1ccc(NN=Cc2c(Cl)nc3sccn23)cc1Cl ZINC000254905504 1025004041 /nfs/dbraw/zinc/00/40/41/1025004041.db2.gz XQKCOHLFJILPQC-UHFFFAOYSA-N 0 0 325.224 4.457 50 0 EIAARN O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000005046953 1025240976 /nfs/dbraw/zinc/24/09/76/1025240976.db2.gz RDNOKGATLPPIGS-UHFFFAOYSA-N 0 0 330.387 4.120 50 0 EIAARN COc1ccc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)c1C ZINC000000389022 1025247796 /nfs/dbraw/zinc/24/77/96/1025247796.db2.gz ZRCMNSIPZRJOPL-UHFFFAOYSA-N 0 0 328.343 4.339 50 0 EIAARN CC(C)[C@H](CNC(=O)Nc1ccc2sncc2c1)c1cccnc1 ZINC000194293793 1026100865 /nfs/dbraw/zinc/10/08/65/1026100865.db2.gz PFBNKZRSJITECZ-INIZCTEOSA-N 0 0 340.452 4.253 50 0 EIAARN COc1cccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c1 ZINC000006510669 1026103115 /nfs/dbraw/zinc/10/31/15/1026103115.db2.gz IAQYKQHVHGAXKH-UKTHLTGXSA-N 0 0 338.794 4.003 50 0 EIAARN COC1(CNC(=O)c2ccc(-c3ccsc3)cc2)CCSCC1 ZINC000225593650 1026448247 /nfs/dbraw/zinc/44/82/47/1026448247.db2.gz IPKTWZCJJIZQHL-UHFFFAOYSA-N 0 0 347.505 4.057 50 0 EIAARN Cc1nc(Cl)c(Cl)cc1C(=O)N(Cc1ccccn1)C(C)C ZINC000319057251 1026585769 /nfs/dbraw/zinc/58/57/69/1026585769.db2.gz GQUBNXIRXUNLOT-UHFFFAOYSA-N 0 0 338.238 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c1ccc2ncc(CNc3cccc(OC[C@H]4CCCO4)c3)cc2c1 ZINC000265210070 1038837491 /nfs/dbraw/zinc/83/74/91/1038837491.db2.gz RFPZTYHZPYNTJY-HXUWFJFHSA-N 0 0 334.419 4.405 50 0 EIAARN O=C(/C=C\c1csc(-c2ccc(F)cc2)n1)Nc1nccs1 ZINC000096925566 1039825379 /nfs/dbraw/zinc/82/53/79/1039825379.db2.gz POZNLTHJCDKKEI-WAYWQWQTSA-N 0 0 331.397 4.058 50 0 EIAARN CCOc1ccccc1/C=C\C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000096940885 1039855131 /nfs/dbraw/zinc/85/51/31/1039855131.db2.gz HLPXNEANYLIOST-QXMHVHEDSA-N 0 0 346.430 4.165 50 0 EIAARN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OC(F)F ZINC000082067567 1040238059 /nfs/dbraw/zinc/23/80/59/1040238059.db2.gz ATNIFSITXDXXQK-LCYFTJDESA-N 0 0 331.318 4.179 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N[C@@H](C)c1ccccc1 ZINC000096554433 1040925647 /nfs/dbraw/zinc/92/56/47/1040925647.db2.gz LHTYWGSEQHCTOX-FCFCDCELSA-N 0 0 345.446 4.380 50 0 EIAARN COc1cc(/C=C\C(=O)N(C)Cc2ccccc2)ccc1OC(C)C ZINC000096554666 1040926173 /nfs/dbraw/zinc/92/61/73/1040926173.db2.gz 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Cc1ccc(-c2cncnc2[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 ZINC000012190513 1044346593 /nfs/dbraw/zinc/34/65/93/1044346593.db2.gz MWZJFCGTYNIBMY-KRWDZBQOSA-N 0 0 347.418 4.065 50 0 EIAARN COc1cccc(CN(C(=O)[C@@H]2CC2(C)C)C2CCCC2)c1OC ZINC000824527089 1044512700 /nfs/dbraw/zinc/51/27/00/1044512700.db2.gz ZATQGWOHLIQYHA-INIZCTEOSA-N 0 0 331.456 4.021 50 0 EIAARN COc1ccc(-c2cc(C(C)(C)C)nc(NCc3cccnc3)n2)cc1 ZINC000824692036 1044522342 /nfs/dbraw/zinc/52/23/42/1044522342.db2.gz XGKXCBWRMXGEDP-UHFFFAOYSA-N 0 0 348.450 4.457 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)c(C)c2)c(C)o1 ZINC000825303630 1044645922 /nfs/dbraw/zinc/64/59/22/1044645922.db2.gz IYQVSYXPVWQSIH-UHFFFAOYSA-N 0 0 328.412 4.442 50 0 EIAARN O=C(Nc1cccc(NC(=O)[C@@H]2CC23CCCCC3)c1)c1cccnc1 ZINC000827701556 1044884581 /nfs/dbraw/zinc/88/45/81/1044884581.db2.gz JYFMMHGVHLMJCS-SFHVURJKSA-N 0 0 349.434 4.243 50 0 EIAARN Cn1nc(C2CCC2)cc1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000153807846 1045872148 /nfs/dbraw/zinc/87/21/48/1045872148.db2.gz 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CC(=O)c1[nH]c(C)c(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c1C ZINC000952964378 1049683215 /nfs/dbraw/zinc/68/32/15/1049683215.db2.gz LPRKOYRTSFVKOP-UHFFFAOYSA-N 0 0 349.434 4.120 50 0 EIAARN COc1ccccc1C1CCN(C(=O)c2c(C)cccc2OC)CC1 ZINC000952983240 1049688591 /nfs/dbraw/zinc/68/85/91/1049688591.db2.gz SHDOHLPCPDCZAK-UHFFFAOYSA-N 0 0 339.435 4.032 50 0 EIAARN CCSc1nc(C)c([C@@H](CC)C(=O)N(C)Cc2cccnc2)s1 ZINC000952994485 1049689461 /nfs/dbraw/zinc/68/94/61/1049689461.db2.gz VVELEZIVCYEBSR-CQSZACIVSA-N 0 0 349.525 4.111 50 0 EIAARN CCC(CC)(CO)CN(C)C(=O)c1ccc(-c2ccccc2F)cc1 ZINC000952991396 1049694410 /nfs/dbraw/zinc/69/44/10/1049694410.db2.gz OUCUBUIMZCZWEG-UHFFFAOYSA-N 0 0 343.442 4.363 50 0 EIAARN O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cc1 ZINC000007851241 1049838957 /nfs/dbraw/zinc/83/89/57/1049838957.db2.gz QORFIDSAXILQPM-UHFFFAOYSA-N 0 0 333.844 4.119 50 0 EIAARN C[C@H](NC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)c1nccs1 ZINC000182622230 1050769842 /nfs/dbraw/zinc/76/98/42/1050769842.db2.gz 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ZINC000581788683 1059992857 /nfs/dbraw/zinc/99/28/57/1059992857.db2.gz SHCPEAJMXCMCHL-INIZCTEOSA-N 0 0 340.423 4.018 50 0 EIAARN O=C(Nc1ccccc1)N1CCCCC[C@@H]1c1nc(C2CC2)no1 ZINC000581788952 1060003590 /nfs/dbraw/zinc/00/35/90/1060003590.db2.gz DLGQQPKTBJRXCE-OAHLLOKOSA-N 0 0 326.400 4.096 50 0 EIAARN Cc1ccc(C[C@@H]2CCOC3(CCN(C(=O)C4CCC4)CC3)C2)cc1 ZINC000581818255 1060024302 /nfs/dbraw/zinc/02/43/02/1060024302.db2.gz JDMSBVKVELLPCB-IBGZPJMESA-N 0 0 341.495 4.125 50 0 EIAARN O=C(C1CCCC1)N1CCC2(CC1)C[C@H](Cc1ccccc1)CCO2 ZINC000581818287 1060025464 /nfs/dbraw/zinc/02/54/64/1060025464.db2.gz JXIXHIYUDPPOJA-IBGZPJMESA-N 0 0 341.495 4.207 50 0 EIAARN O=C(CCc1ccccc1)Nc1ccc(N=S2(=O)CCCC2)cc1 ZINC000582131487 1060274785 /nfs/dbraw/zinc/27/47/85/1060274785.db2.gz JLBLTZOGTQLPEO-UHFFFAOYSA-N 0 0 342.464 4.151 50 0 EIAARN COc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000006750789 201694161 /nfs/dbraw/zinc/69/41/61/201694161.db2.gz BTDJRGOMCSJJJI-UHFFFAOYSA-N 0 0 347.418 4.498 50 0 EIAARN CCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3 ZINC000006793641 201698178 /nfs/dbraw/zinc/69/81/78/201698178.db2.gz YCCPVTLDRAVACZ-UHFFFAOYSA-N 0 0 341.407 4.159 50 0 biogenic EIAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1sc2ccccc2c1=O ZINC000006799902 201698702 /nfs/dbraw/zinc/69/87/02/201698702.db2.gz RKLGXWGBPFPEJV-LLVKDONJSA-N 0 0 346.839 4.225 50 0 EIAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC(C)(C)C ZINC000053160568 214167797 /nfs/dbraw/zinc/16/77/97/214167797.db2.gz OJGDYWXVJPHFRL-UHFFFAOYSA-N 0 0 338.860 4.212 50 0 EIAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1CCCC1 ZINC000006909303 201705340 /nfs/dbraw/zinc/70/53/40/201705340.db2.gz QCEDVNUFHPHJCX-LJQANCHMSA-N 0 0 333.435 4.153 50 0 EIAARN Cc1ccc(C)c(-c2nnc(NC(=O)Nc3ccccc3F)o2)c1 ZINC000056906003 214394024 /nfs/dbraw/zinc/39/40/24/214394024.db2.gz LGDRPSYHRNHCSD-UHFFFAOYSA-N 0 0 326.331 4.137 50 0 EIAARN CCc1ccccc1NC(=O)CCc1csc2nc(C3CC3)cn12 ZINC000056903735 214394621 /nfs/dbraw/zinc/39/46/21/214394621.db2.gz MUKLGRLQTBZKQY-UHFFFAOYSA-N 0 0 339.464 4.407 50 0 EIAARN CCCN(CC(F)(F)F)C(=O)CCCc1c[nH]c2ccccc12 ZINC000058065616 214475720 /nfs/dbraw/zinc/47/57/20/214475720.db2.gz ILCAOOKPJJGNMU-UHFFFAOYSA-N 0 0 326.362 4.292 50 0 EIAARN Cc1ccc(-c2cnc(CCC(=O)Nc3cc(C(C)C)[nH]n3)o2)cc1 ZINC000058417198 214579486 /nfs/dbraw/zinc/57/94/86/214579486.db2.gz QQNHHDPDAHODOD-UHFFFAOYSA-N 0 0 338.411 4.068 50 0 EIAARN CC(C)c1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004580646 210225807 /nfs/dbraw/zinc/22/58/07/210225807.db2.gz TZDBHFJQNOUUQI-UHFFFAOYSA-N 0 0 347.524 4.305 50 0 EIAARN COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc1O ZINC000004571436 210225352 /nfs/dbraw/zinc/22/53/52/210225352.db2.gz AUJSUQSWVKFZNK-FVMDXXJSSA-N 0 0 344.436 4.016 50 0 EIAARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1cccnc1 ZINC000004561974 210221895 /nfs/dbraw/zinc/22/18/95/210221895.db2.gz SCXWYKSHCPBTIA-UHFFFAOYSA-N 0 0 345.402 4.165 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccc(F)cc2F)N1CC(F)(F)F ZINC000007113639 201713000 /nfs/dbraw/zinc/71/30/00/201713000.db2.gz BFMAXWJACDBUDE-AWEZNQCLSA-N 0 0 342.267 4.094 50 0 EIAARN C[C@@H](CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)c1ccccc1 ZINC000004560016 210220252 /nfs/dbraw/zinc/22/02/52/210220252.db2.gz YDNCPBIAETXBMS-LBPRGKRZSA-N 0 0 342.464 4.431 50 0 EIAARN COc1ccc(C)cc1NC(=O)CCc1cccc(OC)c1Cl ZINC000004542839 210218304 /nfs/dbraw/zinc/21/83/04/210218304.db2.gz VPQLCHXVSBZXKY-UHFFFAOYSA-N 0 0 333.815 4.237 50 0 EIAARN Cc1cc2c(c(C)c1)NC(=O)[C@H]2Cc1ccccc1Br ZINC000101014566 219113696 /nfs/dbraw/zinc/11/36/96/219113696.db2.gz KADBZNKGJCGDMH-AWEZNQCLSA-N 0 0 330.225 4.344 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(C)cc1C ZINC000007382250 201720379 /nfs/dbraw/zinc/72/03/79/201720379.db2.gz BKJOZWSNCPBIKN-UHFFFAOYSA-N 0 0 327.472 4.344 50 0 EIAARN O=C1C[C@](O)(c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000101020457 219114837 /nfs/dbraw/zinc/11/48/37/219114837.db2.gz KAEAITWIXLBOTC-ZLNRFVROSA-N 0 0 328.411 4.415 50 0 EIAARN CCc1nnc2c(N[C@@H](CC)Cc3ccccc3)nc3ccccc3n12 ZINC000007504180 201721567 /nfs/dbraw/zinc/72/15/67/201721567.db2.gz IVOLGMSSKRTSFY-INIZCTEOSA-N 0 0 345.450 4.273 50 0 EIAARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(F)(F)F ZINC000007587718 201723525 /nfs/dbraw/zinc/72/35/25/201723525.db2.gz GGEMQDSZHYOLBE-LBPRGKRZSA-N 0 0 334.341 4.095 50 0 EIAARN Cc1ccc(CNc2nccn(-c3ccc(C)c(Cl)c3)c2=O)cc1 ZINC000007615936 201724169 /nfs/dbraw/zinc/72/41/69/201724169.db2.gz YLNUANJERSVHMI-UHFFFAOYSA-N 0 0 339.826 4.115 50 0 EIAARN O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccco1 ZINC000007679845 201725306 /nfs/dbraw/zinc/72/53/06/201725306.db2.gz HIEWVHUUMPTULK-UHFFFAOYSA-N 0 0 349.761 4.360 50 0 EIAARN COc1cccc(C(=O)N[C@H](C)c2cccc3ccccc32)c1OC ZINC000008188480 201740698 /nfs/dbraw/zinc/74/06/98/201740698.db2.gz RGJDYNIVJIQUBQ-CQSZACIVSA-N 0 0 335.403 4.348 50 0 EIAARN COc1ccc(C(=O)Nc2nc3c(ccc(C)c3C)s2)c(OC)c1 ZINC000004275347 210157741 /nfs/dbraw/zinc/15/77/41/210157741.db2.gz JMNOOJUKPSFEDO-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN O=C(c1csc(Nc2ccccc2)n1)N1CCc2ccccc2C1 ZINC000035596738 201741580 /nfs/dbraw/zinc/74/15/80/201741580.db2.gz GJEBOKBUIQJVLV-UHFFFAOYSA-N 0 0 335.432 4.085 50 0 EIAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cnc2ccccc2n1 ZINC000008313047 201744995 /nfs/dbraw/zinc/74/49/95/201744995.db2.gz SWSUIPPQPDPBDU-GOSISDBHSA-N 0 0 337.810 4.164 50 0 EIAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3n2C)cc1 ZINC000008404011 201748184 /nfs/dbraw/zinc/74/81/84/201748184.db2.gz UQKKUDDCZHFOJA-CYBMUJFWSA-N 0 0 340.448 4.336 50 0 EIAARN CCCNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000008596720 201753407 /nfs/dbraw/zinc/75/34/07/201753407.db2.gz FUJGCXYIMMYEKV-UHFFFAOYSA-N 0 0 348.899 4.385 50 0 EIAARN CCc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CC[C@@H](C)C2)cc1 ZINC000008614478 201755041 /nfs/dbraw/zinc/75/50/41/201755041.db2.gz UQDBASPCHRMJSM-OAHLLOKOSA-N 0 0 347.462 4.111 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(F)cc1 ZINC000008704553 201756595 /nfs/dbraw/zinc/75/65/95/201756595.db2.gz KWBJCPFFBPUIOV-OUKQBFOZSA-N 0 0 335.382 4.280 50 0 EIAARN COCCN(C(=S)Nc1ccccc1C)[C@@H](C)c1cccs1 ZINC000008829951 201762993 /nfs/dbraw/zinc/76/29/93/201762993.db2.gz WQTVOFZBOVDVHH-AWEZNQCLSA-N 0 0 334.510 4.463 50 0 EIAARN CC(C)Sc1ncc(Cl)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000008917607 201764038 /nfs/dbraw/zinc/76/40/38/201764038.db2.gz AMAGTYRXPXOUAT-UHFFFAOYSA-N 0 0 325.796 4.022 50 0 EIAARN O=c1nc(SCCc2ccccc2)[nH]c2sc3c(c21)CCCC3 ZINC000009170157 201769508 /nfs/dbraw/zinc/76/95/08/201769508.db2.gz JAOVQGUOQCWMNP-UHFFFAOYSA-N 0 0 342.489 4.198 50 0 EIAARN COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(C)cc2)cc1 ZINC000009204845 201770304 /nfs/dbraw/zinc/77/03/04/201770304.db2.gz DQQXBWDUXXCRAF-UHFFFAOYSA-N 0 0 335.403 4.439 50 0 EIAARN O=C(NC1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009256417 201772690 /nfs/dbraw/zinc/77/26/90/201772690.db2.gz SXTHXYFFCYDOBU-QGZVFWFLSA-N 0 0 344.455 4.027 50 0 EIAARN C=C1C(Nc2cc(Cl)ccc2C)=NS(=O)(=O)C1c1ccccc1 ZINC000009286764 201773048 /nfs/dbraw/zinc/77/30/48/201773048.db2.gz SGENSPWVSWGQHY-UHFFFAOYSA-N 0 0 346.839 4.233 50 0 EIAARN Cc1c2cc(Cl)ccc2n(C)c1C(=O)NCc1cccc(C)c1 ZINC000009264122 201773100 /nfs/dbraw/zinc/77/31/00/201773100.db2.gz DMWIIQCWJOFAEZ-UHFFFAOYSA-N 0 0 326.827 4.379 50 0 EIAARN CC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000009331843 201775151 /nfs/dbraw/zinc/77/51/51/201775151.db2.gz KWPDFGYKLMAIJT-UHFFFAOYSA-N 0 0 334.253 4.096 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2ccccc2)C1 ZINC000036314605 201784399 /nfs/dbraw/zinc/78/43/99/201784399.db2.gz LUQKWERJDWHIFQ-SFHVURJKSA-N 0 0 329.827 4.161 50 0 EIAARN COc1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)cc1F ZINC000009802599 201787953 /nfs/dbraw/zinc/78/79/53/201787953.db2.gz ZLZYBTZVGISIAW-NSHDSACASA-N 0 0 332.400 4.253 50 0 EIAARN Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000009938815 201791043 /nfs/dbraw/zinc/79/10/43/201791043.db2.gz MKOYCTLLHJQSTQ-LBPRGKRZSA-N 0 0 349.415 4.296 50 0 EIAARN Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000010143591 201795389 /nfs/dbraw/zinc/79/53/89/201795389.db2.gz XZJFMPOAGHZQFJ-YTUJCQBYSA-N 0 0 347.480 4.091 50 0 EIAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)Nn1cnc2ccccc21 ZINC000010402773 201798275 /nfs/dbraw/zinc/79/82/75/201798275.db2.gz AWNJKQAPXJOHHV-UHFFFAOYSA-N 0 0 349.221 4.139 50 0 EIAARN O=C(Nc1cccc(C=Cc2ccccn2)c1)c1n[nH]c2ccccc21 ZINC000011486650 201808245 /nfs/dbraw/zinc/80/82/45/201808245.db2.gz WRFKFDQIYCASOH-VAWYXSNFSA-N 0 0 340.386 4.381 50 0 EIAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000012062891 201823677 /nfs/dbraw/zinc/82/36/77/201823677.db2.gz USECCWUQYLIWIU-SFHVURJKSA-N 0 0 333.387 4.057 50 0 EIAARN Cc1cccc(NC(=O)CCC2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000012314546 201837689 /nfs/dbraw/zinc/83/76/89/201837689.db2.gz BSGILHIJMAJGSB-UHFFFAOYSA-N 0 0 342.483 4.143 50 0 EIAARN CN(C)c1cccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000012398186 201843480 /nfs/dbraw/zinc/84/34/80/201843480.db2.gz PZGSDQGHNZALJX-UHFFFAOYSA-N 0 0 326.484 4.041 50 0 EIAARN C[C@@H](O)c1nc2ccccc2n1CCOc1cccc2ccccc21 ZINC000012401972 201844750 /nfs/dbraw/zinc/84/47/50/201844750.db2.gz 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/nfs/dbraw/zinc/27/99/45/202279945.db2.gz FDHXEKNVCZWAHP-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN CC[C@@H](C)NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)n(CC)n1 ZINC000034901437 202280054 /nfs/dbraw/zinc/28/00/54/202280054.db2.gz SQNZDPFKNXWRTF-LLVKDONJSA-N 0 0 339.361 4.117 50 0 EIAARN CCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)Nc1cccc(C)c1 ZINC000034903576 202280188 /nfs/dbraw/zinc/28/01/88/202280188.db2.gz KSKFRTQTQNKVGN-UHFFFAOYSA-N 0 0 341.361 4.409 50 0 EIAARN Cc1cc(NC(=O)/C=C/c2ccccc2)nn1-c1ccc(F)cc1F ZINC000034909497 202280216 /nfs/dbraw/zinc/28/02/16/202280216.db2.gz BXMYTRVDEJCJDW-JXMROGBWSA-N 0 0 339.345 4.111 50 0 EIAARN CCn1nc(C(=O)NC2CCCCC2)cc1-c1cccc(Cl)c1 ZINC000034901606 202280253 /nfs/dbraw/zinc/28/02/53/202280253.db2.gz LPTCGXUAZZGRMI-UHFFFAOYSA-N 0 0 331.847 4.286 50 0 EIAARN CC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908287 202280563 /nfs/dbraw/zinc/28/05/63/202280563.db2.gz QZQFFNQFGMZMTE-IBGZPJMESA-N 0 0 349.434 4.244 50 0 EIAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)CC(C)C)n2c1 ZINC000034913034 202281078 /nfs/dbraw/zinc/28/10/78/202281078.db2.gz QJVQQRYXLLFHOE-UHFFFAOYSA-N 0 0 325.387 4.433 50 0 EIAARN COc1ccc(-c2nc3ccccn3c2NC(=O)CC(C)(C)C)cc1 ZINC000034912738 202281513 /nfs/dbraw/zinc/28/15/13/202281513.db2.gz JPLUSZPHWBAVIU-UHFFFAOYSA-N 0 0 337.423 4.385 50 0 EIAARN Cc1ccc(-c2nc(CN3CCc4c(ncn4C4CC4)C3)co2)c(C)c1 ZINC000069491257 202284068 /nfs/dbraw/zinc/28/40/68/202284068.db2.gz UUCRGIPCRPLOPG-UHFFFAOYSA-N 0 0 348.450 4.048 50 0 EIAARN Cc1c(Cl)cccc1N1C(=O)C[C@H]([C@H](C)c2ccccc2)C1=O ZINC000035142051 202288005 /nfs/dbraw/zinc/28/80/05/202288005.db2.gz RWCOEDHENPOZRT-IUODEOHRSA-N 0 0 327.811 4.332 50 0 EIAARN c1coc(-c2nc(-c3cccc(-c4noc(-c5ccco5)n4)c3)no2)c1 ZINC000035323646 202297775 /nfs/dbraw/zinc/29/77/75/202297775.db2.gz FEUPBIHJAAQRMY-UHFFFAOYSA-N 0 0 346.302 4.307 50 0 EIAARN O=C1C[C@H](c2ccsc2)c2snc(-c3cccc(F)c3)c2N1 ZINC000035324572 202297863 /nfs/dbraw/zinc/29/78/63/202297863.db2.gz WVZLAYPBXDZGLZ-GFCCVEGCSA-N 0 0 330.409 4.485 50 0 EIAARN Cc1cc(C)cc(-n2ncc3c2ncnc3Nc2ccc(F)cc2)c1 ZINC000035681869 202307899 /nfs/dbraw/zinc/30/78/99/202307899.db2.gz VWLVVCWWFHTCQG-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN Cn1cc([C@H]2CCCN2Cc2ncc(-c3ccc(Cl)cc3)o2)cn1 ZINC000069930141 202298191 /nfs/dbraw/zinc/29/81/91/202298191.db2.gz OYKQSMNEKAQKOW-MRXNPFEDSA-N 0 0 342.830 4.066 50 0 EIAARN Cc1nccn1[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000069952238 202298395 /nfs/dbraw/zinc/29/83/95/202298395.db2.gz WZTAJVKQLRIFEB-OAQYLSRUSA-N 0 0 347.462 4.141 50 0 EIAARN O=C(c1ccccc1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399430 202301685 /nfs/dbraw/zinc/30/16/85/202301685.db2.gz AZJKAICUBGHREU-UHFFFAOYSA-N 0 0 343.430 4.034 50 0 biogenic EIAARN Cc1nn(C(=O)Nc2ccc(Br)c(C)c2)c2ccccc12 ZINC000035422267 202302335 /nfs/dbraw/zinc/30/23/35/202302335.db2.gz FTCJCSNDSCXHNP-UHFFFAOYSA-N 0 0 344.212 4.496 50 0 EIAARN O=C(Cn1ccc2ccccc21)Nc1ccccc1Br ZINC000040285683 202302508 /nfs/dbraw/zinc/30/25/08/202302508.db2.gz KLXYLEXFDRCNSE-UHFFFAOYSA-N 0 0 329.197 4.043 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000035476487 202305077 /nfs/dbraw/zinc/30/50/77/202305077.db2.gz YSWRSIBTOJZCSQ-HNNXBMFYSA-N 0 0 344.798 4.438 50 0 EIAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccc(F)cc2)cc1 ZINC000035536082 202305405 /nfs/dbraw/zinc/30/54/05/202305405.db2.gz NPPZESLMFDCPIT-UHFFFAOYSA-N 0 0 326.327 4.050 50 0 EIAARN CC[C@@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1cccc(C)c1 ZINC000035622155 202306750 /nfs/dbraw/zinc/30/67/50/202306750.db2.gz DOWHAWCSIFGUHF-GOSISDBHSA-N 0 0 341.846 4.361 50 0 EIAARN COc1ccc(-c2nc3cnccn3c2Nc2ccccc2OC)cc1 ZINC000035616246 202306988 /nfs/dbraw/zinc/30/69/88/202306988.db2.gz AZCXLKJJMMJBKS-UHFFFAOYSA-N 0 0 346.390 4.157 50 0 EIAARN CCOc1ccccc1C(=O)Nc1cc(-c2noc(C)n2)sc1C ZINC000035554612 202307079 /nfs/dbraw/zinc/30/70/79/202307079.db2.gz MBNZWLLUWHNBLW-UHFFFAOYSA-N 0 0 343.408 4.066 50 0 EIAARN FC(F)(F)c1cccc(C2(c3nc(C4CC4)no3)CCOCC2)c1 ZINC000069878112 202296047 /nfs/dbraw/zinc/29/60/47/202296047.db2.gz NJDGRBVZFXISCX-UHFFFAOYSA-N 0 0 338.329 4.062 50 0 EIAARN O=C(/C=C/c1ccccc1)N(CCc1ccncc1)c1ccccc1 ZINC000035671321 202308494 /nfs/dbraw/zinc/30/84/94/202308494.db2.gz HPXITQUMXMYAMH-VAWYXSNFSA-N 0 0 328.415 4.371 50 0 EIAARN Cc1c(C)c(C(=O)NCc2ccco2)n(Cc2cccc(F)c2)c1C ZINC000036008232 202311982 /nfs/dbraw/zinc/31/19/82/202311982.db2.gz HTFAMDYEHIXCNB-UHFFFAOYSA-N 0 0 340.398 4.124 50 0 EIAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)C1CC1 ZINC000036106579 202316340 /nfs/dbraw/zinc/31/63/40/202316340.db2.gz ORSPBUOVGPGUMJ-UHFFFAOYSA-N 0 0 344.480 4.179 50 0 EIAARN CCN(CC)Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1 ZINC000036204122 202319300 /nfs/dbraw/zinc/31/93/00/202319300.db2.gz GRTVJMVYZPCWNW-UHFFFAOYSA-N 0 0 341.480 4.110 50 0 EIAARN O=C(Nc1ccccc1)N1CCC[C@@H](OCc2ccc(F)c(F)c2)C1 ZINC000036315857 202321142 /nfs/dbraw/zinc/32/11/42/202321142.db2.gz RHKTVJCTAYOYTK-MRXNPFEDSA-N 0 0 346.377 4.178 50 0 EIAARN O=C(NCc1ccco1)c1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000036346921 202321408 /nfs/dbraw/zinc/32/14/08/202321408.db2.gz ZERHSFCLJAUTGL-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@H](OCc3cc(F)ccc3F)C2)c1 ZINC000036315538 202321997 /nfs/dbraw/zinc/32/19/97/202321997.db2.gz LLLFBUXOEXAZCH-SFHVURJKSA-N 0 0 345.389 4.095 50 0 EIAARN Fc1cc(Cl)ccc1-c1nnc2sc(-c3ccsc3)nn21 ZINC000036353869 202322389 /nfs/dbraw/zinc/32/23/89/202322389.db2.gz XWCOUZRWAUFZQB-UHFFFAOYSA-N 0 0 336.804 4.374 50 0 EIAARN CCCCCC(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 ZINC000036359787 202322801 /nfs/dbraw/zinc/32/28/01/202322801.db2.gz JPPCQNYSHLQKDN-UHFFFAOYSA-N 0 0 325.368 4.114 50 0 EIAARN FC(F)(F)c1nn2c(nnc2-c2cc(Cl)cc(Cl)c2)s1 ZINC000036357277 202323123 /nfs/dbraw/zinc/32/31/23/202323123.db2.gz GBBMIRKZCHYPFI-UHFFFAOYSA-N 0 0 339.129 4.178 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)CN(C)Cc1nc2ccccc2s1 ZINC000036869777 202333319 /nfs/dbraw/zinc/33/33/19/202333319.db2.gz FAEGBVUPFZWORZ-UHFFFAOYSA-N 0 0 349.459 4.401 50 0 EIAARN O=C1C[C@H](c2cc(F)ccc2F)c2ncn(-c3ccccc3F)c2N1 ZINC000036364873 202323726 /nfs/dbraw/zinc/32/37/26/202323726.db2.gz LHVKPTNUOOWHFT-GFCCVEGCSA-N 0 0 343.308 4.413 50 0 EIAARN Clc1cccc(-c2nnc3sc(-c4ccncc4)nn32)c1Cl ZINC000036360460 202324337 /nfs/dbraw/zinc/32/43/37/202324337.db2.gz HLDMFFWOBWLCPC-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCCc4ccccc43)c12 ZINC000036613717 202325876 /nfs/dbraw/zinc/32/58/76/202325876.db2.gz DZOVLIZGWYQAIM-QGZVFWFLSA-N 0 0 347.418 4.216 50 0 EIAARN O=C1C[C@]2(c3cccc(Cl)c3Cl)Nc3ccccc3N2C1=O ZINC000036612433 202325965 /nfs/dbraw/zinc/32/59/65/202325965.db2.gz WWDZHIYVZWQXLG-INIZCTEOSA-N 0 0 333.174 4.060 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000036563200 202326317 /nfs/dbraw/zinc/32/63/17/202326317.db2.gz HPQBCMJFIZDZEK-VQTJNVASSA-N 0 0 339.435 4.126 50 0 EIAARN Cc1ccc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c(C)c1 ZINC000036611894 202326360 /nfs/dbraw/zinc/32/63/60/202326360.db2.gz YVNLKKCXSGQVAK-INIZCTEOSA-N 0 0 346.789 4.228 50 0 EIAARN Cc1c(NC(=O)c2cccc(Cl)c2)cccc1NC(=O)C1CC1 ZINC000036567701 202326370 /nfs/dbraw/zinc/32/63/70/202326370.db2.gz LCHIDBYCDNYIFF-UHFFFAOYSA-N 0 0 328.799 4.249 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000036620929 202327079 /nfs/dbraw/zinc/32/70/79/202327079.db2.gz UEVNWWSVDJDZNC-KRWDZBQOSA-N 0 0 344.386 4.212 50 0 EIAARN CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000036619717 202327182 /nfs/dbraw/zinc/32/71/82/202327182.db2.gz COZPZSJMMRHASC-SFHVURJKSA-N 0 0 349.883 4.428 50 0 EIAARN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H]1c1cccc(F)c1 ZINC000036620960 202327223 /nfs/dbraw/zinc/32/72/23/202327223.db2.gz UTMOUSZFOFIQGA-SFHVURJKSA-N 0 0 336.366 4.458 50 0 EIAARN CCc1ccc([C@H](C)NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000036623092 202327328 /nfs/dbraw/zinc/32/73/28/202327328.db2.gz CPQAQMUEZFEBPG-LBPRGKRZSA-N 0 0 347.842 4.411 50 0 EIAARN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl ZINC000036620614 202327515 /nfs/dbraw/zinc/32/75/15/202327515.db2.gz IICJGEWYENTLHA-MRXNPFEDSA-N 0 0 335.856 4.174 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000036621118 202327588 /nfs/dbraw/zinc/32/75/88/202327588.db2.gz FYIIEPSVFIWXLU-KRWDZBQOSA-N 0 0 338.407 4.135 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)c(C)c1 ZINC000036620376 202327653 /nfs/dbraw/zinc/32/76/53/202327653.db2.gz NUBINKUAVXQAQI-IBGZPJMESA-N 0 0 343.492 4.446 50 0 EIAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1c1cccs1 ZINC000036688782 202328935 /nfs/dbraw/zinc/32/89/35/202328935.db2.gz SBJRKPCTVQQJGW-NSHDSACASA-N 0 0 326.343 4.139 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cccnc2Sc2ccccc2)C1 ZINC000036714459 202329006 /nfs/dbraw/zinc/32/90/06/202329006.db2.gz UTKSLGCZAKSYFA-GASCZTMLSA-N 0 0 326.465 4.351 50 0 EIAARN Cc1cccc(-c2nnc([C@@H](C)N3CCc4sccc4C3)o2)c1 ZINC000036692525 202329262 /nfs/dbraw/zinc/32/92/62/202329262.db2.gz CSVRVOQVRUFQDS-CYBMUJFWSA-N 0 0 325.437 4.226 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1coc(-c2ccccc2)n1 ZINC000071876663 202353054 /nfs/dbraw/zinc/35/30/54/202353054.db2.gz GVDZUHIVBCVDMU-SFHVURJKSA-N 0 0 336.439 4.029 50 0 EIAARN CCCNC(=O)c1c(C)c2c(n1Cc1cccc(F)c1)CCCC2 ZINC000037385647 202340413 /nfs/dbraw/zinc/34/04/13/202340413.db2.gz HKFGMKFEKNQXBY-UHFFFAOYSA-N 0 0 328.431 4.003 50 0 EIAARN Cc1cc2c(cc(C(=O)NC3CC3)n2Cc2ccc(F)cc2)s1 ZINC000037526595 202344746 /nfs/dbraw/zinc/34/47/46/202344746.db2.gz INRIYBZFGANZET-UHFFFAOYSA-N 0 0 328.412 4.091 50 0 EIAARN CCCn1c(C(=O)NCc2ccccc2F)cc2sc(C)cc21 ZINC000037526222 202344784 /nfs/dbraw/zinc/34/47/84/202344784.db2.gz BXHBKFHEONPFHA-UHFFFAOYSA-N 0 0 330.428 4.490 50 0 EIAARN CCCNC(=O)c1cc2sc(C)cc2n1Cc1cccc(F)c1 ZINC000037525956 202345511 /nfs/dbraw/zinc/34/55/11/202345511.db2.gz RZGILXJWWRRTCQ-UHFFFAOYSA-N 0 0 330.428 4.338 50 0 EIAARN CCOc1ccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1 ZINC000071890659 202354473 /nfs/dbraw/zinc/35/44/73/202354473.db2.gz WTCVOLFRMRCIPE-UHFFFAOYSA-N 0 0 348.362 4.216 50 0 EIAARN CCn1cc(NC(=O)c2cc3sccc3c(OC(C)C)c2)cn1 ZINC000072241218 202358195 /nfs/dbraw/zinc/35/81/95/202358195.db2.gz ARWAULWGZQWWEC-UHFFFAOYSA-N 0 0 329.425 4.157 50 0 EIAARN Cc1ccc(F)cc1NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000072242997 202358260 /nfs/dbraw/zinc/35/82/60/202358260.db2.gz JCJBYTWFPUIUSM-UHFFFAOYSA-N 0 0 337.276 4.282 50 0 EIAARN COc1ccc(-c2csc(CNC(=O)c3cccc(C)c3)n2)cc1 ZINC000072264941 202359985 /nfs/dbraw/zinc/35/99/85/202359985.db2.gz FJVBKEUDNMONJO-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN CC(C)c1nc([C@@H]2CCCN2CCCc2nc3ccccc3o2)no1 ZINC000072279399 202361688 /nfs/dbraw/zinc/36/16/88/202361688.db2.gz NLLOAVDFVRDGIT-HNNXBMFYSA-N 0 0 340.427 4.104 50 0 EIAARN COc1ccc(CCCC(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000072285874 202362002 /nfs/dbraw/zinc/36/20/02/202362002.db2.gz BIYRCWSGIFDKAF-KRWDZBQOSA-N 0 0 344.480 4.228 50 0 EIAARN CC(C)Oc1cccc(CC(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000072285871 202362475 /nfs/dbraw/zinc/36/24/75/202362475.db2.gz YALZKQKOQOPQEH-QGZVFWFLSA-N 0 0 344.480 4.227 50 0 EIAARN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ncc(-c2ccccc2)o1 ZINC000075132227 202375029 /nfs/dbraw/zinc/37/50/29/202375029.db2.gz OJYQASKZFDIQKE-QGZVFWFLSA-N 0 0 336.439 4.029 50 0 EIAARN O=C(CSc1ccc(F)cc1)N1CCC(c2cccs2)CC1 ZINC000075157042 202376227 /nfs/dbraw/zinc/37/62/27/202376227.db2.gz GRVIBSJKDCTPFB-UHFFFAOYSA-N 0 0 335.469 4.386 50 0 EIAARN C[C@](O)(CNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1 ZINC000075155373 202376306 /nfs/dbraw/zinc/37/63/06/202376306.db2.gz UUKKDJKBYWBSGJ-FQEVSTJZSA-N 0 0 337.444 4.053 50 0 EIAARN O=C(CCc1nccs1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000078712909 202398729 /nfs/dbraw/zinc/39/87/29/202398729.db2.gz KVOPVBBVYYPOLU-KRWDZBQOSA-N 0 0 339.464 4.311 50 0 EIAARN Cc1c(NC(=O)c2cccc(Oc3nccs3)c2)n[nH]c1C1CC1 ZINC000076589915 202389506 /nfs/dbraw/zinc/38/95/06/202389506.db2.gz QZTKOBXXBNDUDU-UHFFFAOYSA-N 0 0 340.408 4.097 50 0 EIAARN Cc1cc2cc(NC(=O)c3cccnc3OCC(F)(F)F)ccc2[nH]1 ZINC000040081350 202421354 /nfs/dbraw/zinc/42/13/54/202421354.db2.gz RERNRZDJTILWIC-UHFFFAOYSA-N 0 0 349.312 4.065 50 0 EIAARN Cc1nc(/C=C/C(=O)Nc2ccc3oc(C(C)C)nc3c2)cs1 ZINC000040081707 202422511 /nfs/dbraw/zinc/42/25/11/202422511.db2.gz KDMFKORIQDIKRA-FNORWQNLSA-N 0 0 327.409 4.368 50 0 EIAARN CCc1oc2ccccc2c1/C=C/C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000040145742 202427232 /nfs/dbraw/zinc/42/72/32/202427232.db2.gz IPVYZLOYBFPAAZ-QWUFOESZSA-N 0 0 339.435 4.178 50 0 EIAARN CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1C ZINC000041077059 202471011 /nfs/dbraw/zinc/47/10/11/202471011.db2.gz WWILAHAUVNHVCO-UHFFFAOYSA-N 0 0 349.434 4.281 50 0 EIAARN O=C(CCC1CCCCC1)Nc1cnn(Cc2ccccc2F)c1 ZINC000028220406 212604662 /nfs/dbraw/zinc/60/46/62/212604662.db2.gz NXQZADKCUSYNJF-UHFFFAOYSA-N 0 0 329.419 4.370 50 0 EIAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2ncccc2c1 ZINC000072478784 216256711 /nfs/dbraw/zinc/25/67/11/216256711.db2.gz RGSRGDXVWRGPPO-UHFFFAOYSA-N 0 0 343.386 4.162 50 0 EIAARN Cc1cccnc1NC(=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000027651277 212571175 /nfs/dbraw/zinc/57/11/75/212571175.db2.gz SKVBLIGPMXTQLI-UHFFFAOYSA-N 0 0 336.366 4.360 50 0 EIAARN COc1cc(OC)c(NCc2ccn(-c3ccccc3)n2)cc1Cl ZINC000225447573 201035008 /nfs/dbraw/zinc/03/50/08/201035008.db2.gz QLFXXFZTBFAWQD-UHFFFAOYSA-N 0 0 343.814 4.155 50 0 EIAARN Brc1ccc(CCNc2ncnc3ccsc32)s1 ZINC000014315958 201056876 /nfs/dbraw/zinc/05/68/76/201056876.db2.gz SCQVEVDXGRDJQE-UHFFFAOYSA-N 0 0 340.271 4.170 50 0 EIAARN CCOc1ccc(OCC)c(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)c1 ZINC000025734489 212495327 /nfs/dbraw/zinc/49/53/27/212495327.db2.gz NWZPXSVJZIZUIE-YPMHNXCESA-N 0 0 346.452 4.202 50 0 EIAARN O=C(N[C@H]1CCCc2c3ccccc3[nH]c21)c1ccc2cc[nH]c2c1 ZINC000253396382 201186475 /nfs/dbraw/zinc/18/64/75/201186475.db2.gz BBEAISXQNUXXHY-SFHVURJKSA-N 0 0 329.403 4.457 50 0 EIAARN O=C(NC1CCCC1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000042622626 202499152 /nfs/dbraw/zinc/49/91/52/202499152.db2.gz CGGWNQUMHNYKGP-LSDHHAIUSA-N 0 0 326.465 4.405 50 0 EIAARN CCOc1ccc(-c2onc(C)c2-c2ccccc2OC)c(O)c1 ZINC000006755474 201363669 /nfs/dbraw/zinc/36/36/69/201363669.db2.gz QRWXDNCCNSPAML-UHFFFAOYSA-N 0 0 325.364 4.430 50 0 EIAARN CCc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12 ZINC000000407129 201357957 /nfs/dbraw/zinc/35/79/57/201357957.db2.gz XUQLPPRJAZLDAF-UHFFFAOYSA-N 0 0 342.778 4.271 50 0 biogenic EIAARN CCc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)cc2oc1=O ZINC000000464562 201358113 /nfs/dbraw/zinc/35/81/13/201358113.db2.gz CGRBUXFYHSKGMP-UHFFFAOYSA-N 0 0 340.350 4.065 50 0 biogenic EIAARN CCOc1ccccc1Oc1cncnc1-c1ccc(OC)cc1O ZINC000002408537 201358954 /nfs/dbraw/zinc/35/89/54/201358954.db2.gz UXWMATYTJKRVJX-UHFFFAOYSA-N 0 0 338.363 4.049 50 0 EIAARN CCC(=O)Oc1ccc2oc(=O)c(-c3ccc(OC)cc3)c(C)c2c1 ZINC000004340698 201360282 /nfs/dbraw/zinc/36/02/82/201360282.db2.gz QIHLOVDEDJYRGH-UHFFFAOYSA-N 0 0 338.359 4.092 50 0 EIAARN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1 ZINC000003326955 201360520 /nfs/dbraw/zinc/36/05/20/201360520.db2.gz IQFVCDQIIJYJGA-UHFFFAOYSA-N 0 0 327.380 4.294 50 0 EIAARN COc1ccc(-c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1OC ZINC000004870278 201360642 /nfs/dbraw/zinc/36/06/42/201360642.db2.gz UPBPUBZJTPEZNQ-UHFFFAOYSA-N 0 0 330.771 4.120 50 0 EIAARN CN(C)C(=O)Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 ZINC000004586174 201360712 /nfs/dbraw/zinc/36/07/12/201360712.db2.gz OQEQPVUDFLODBK-UHFFFAOYSA-N 0 0 349.342 4.267 50 0 biogenic EIAARN Cc1nc(NC(=O)/C=C\c2ccccc2OC(F)(F)F)sc1C ZINC000096401809 201376830 /nfs/dbraw/zinc/37/68/30/201376830.db2.gz UVQLOOJAUCAXSW-FPLPWBNLSA-N 0 0 342.342 4.310 50 0 EIAARN COc1ccc(Cc2nnc(SC/C=C\c3ccccc3)o2)cc1 ZINC000096402953 201377036 /nfs/dbraw/zinc/37/70/36/201377036.db2.gz UJXUZQFEALGORG-YVMONPNESA-N 0 0 338.432 4.475 50 0 EIAARN CCc1c(C(=O)Nc2ncc(C)s2)cnn1-c1cccc(Cl)c1 ZINC000024679576 212432483 /nfs/dbraw/zinc/43/24/83/212432483.db2.gz VDBFLKINVSUPCZ-UHFFFAOYSA-N 0 0 346.843 4.105 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(CC)cc1 ZINC000047157824 202577561 /nfs/dbraw/zinc/57/75/61/202577561.db2.gz YJXQFWCCZYPWKN-UHFFFAOYSA-N 0 0 335.407 4.421 50 0 EIAARN CCCn1cc(-c2ccnc(N[C@@H]3CCc4ccccc4C3)n2)c(C)n1 ZINC000048057156 202591044 /nfs/dbraw/zinc/59/10/44/202591044.db2.gz AWDKQTKIKYPWOU-GOSISDBHSA-N 0 0 347.466 4.028 50 0 EIAARN CCc1c(C(=O)N[C@H](C)c2cccc(Cl)c2)[nH]c(C)c1C(C)=O ZINC000048166687 202591950 /nfs/dbraw/zinc/59/19/50/202591950.db2.gz OTZGPEVHYLHALO-SNVBAGLBSA-N 0 0 332.831 4.233 50 0 EIAARN O=C(NCCc1ccc(Cl)s1)NCCc1ccc(Cl)s1 ZINC000048251120 202594772 /nfs/dbraw/zinc/59/47/72/202594772.db2.gz UHVWAFJPIQURON-UHFFFAOYSA-N 0 0 349.308 4.201 50 0 EIAARN Cc1[nH]c2ccccc2c1CC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000048345774 202602228 /nfs/dbraw/zinc/60/22/28/202602228.db2.gz SFXAQPNMDBKUIT-UHFFFAOYSA-N 0 0 348.431 4.176 50 0 EIAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccccc1F ZINC000085474133 202619826 /nfs/dbraw/zinc/61/98/26/202619826.db2.gz BFSLWLVQQGDELV-UHFFFAOYSA-N 0 0 345.420 4.110 50 0 EIAARN Cc1c(C(=O)NC2CCCCCCC2)nnn1-c1ccc(C)c(C)c1 ZINC000051318207 202639347 /nfs/dbraw/zinc/63/93/47/202639347.db2.gz ZIZHADVRLDTYKD-UHFFFAOYSA-N 0 0 340.471 4.035 50 0 EIAARN O=C(Nc1cccc(Br)c1)Nc1cc(F)cc(F)c1 ZINC000051354349 202639436 /nfs/dbraw/zinc/63/94/36/202639436.db2.gz RKRJSFVBUNOMKZ-UHFFFAOYSA-N 0 0 327.128 4.371 50 0 EIAARN O=C(C[C@@H]1CCCO1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000049621378 202625336 /nfs/dbraw/zinc/62/53/36/202625336.db2.gz BJDDJPUUVNONCG-LAUBAEHRSA-N 0 0 335.403 4.208 50 0 EIAARN CCOc1cccc(CN(C(=O)c2cccc(C(C)=O)c2)C2CC2)c1 ZINC000055370514 202690713 /nfs/dbraw/zinc/69/07/13/202690713.db2.gz HIMPXGPACYUFGG-UHFFFAOYSA-N 0 0 337.419 4.093 50 0 EIAARN Cc1nc2sccc2c(N(CCCO)Cc2ccc(Cl)cc2)n1 ZINC000055360898 202691221 /nfs/dbraw/zinc/69/12/21/202691221.db2.gz BYZMNHAIBSNKLP-UHFFFAOYSA-N 0 0 347.871 4.042 50 0 EIAARN O=C(Nc1ccccc1COc1ccccc1)c1ccc2c(c1)OCO2 ZINC000056002577 202700748 /nfs/dbraw/zinc/70/07/48/202700748.db2.gz CLOTZSAZDPPELQ-UHFFFAOYSA-N 0 0 347.370 4.247 50 0 EIAARN CS[C@H](C)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000058184768 202740830 /nfs/dbraw/zinc/74/08/30/202740830.db2.gz GKBPIWYSHDKJAZ-PXAZEXFGSA-N 0 0 335.419 4.116 50 0 EIAARN CCc1ccc(OCC(=O)Nc2cc(F)cc(N3CCCC3)c2)cc1 ZINC000058202069 202742564 /nfs/dbraw/zinc/74/25/64/202742564.db2.gz VBDSTHRFLLGLQS-UHFFFAOYSA-N 0 0 342.414 4.006 50 0 EIAARN c1cn(-c2ccccc2)nc1CSc1nnc(Cc2ccccc2)o1 ZINC000058208656 202743905 /nfs/dbraw/zinc/74/39/05/202743905.db2.gz UYCGGGLXPKMNAF-UHFFFAOYSA-N 0 0 348.431 4.138 50 0 EIAARN Cc1cc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(C)[nH]1 ZINC000023446600 212378842 /nfs/dbraw/zinc/37/88/42/212378842.db2.gz XNIQOHPCAMCAAI-UHFFFAOYSA-N 0 0 333.387 4.124 50 0 EIAARN CN(C)C(=O)c1csc(-c2csc(COc3ccccc3)n2)c1 ZINC000058267028 202749427 /nfs/dbraw/zinc/74/94/27/202749427.db2.gz LFRAPIFQHFSPKZ-UHFFFAOYSA-N 0 0 344.461 4.152 50 0 EIAARN COc1ccc(C)cc1NC(=O)CSCCOc1cccc(C)c1 ZINC000023412403 212376040 /nfs/dbraw/zinc/37/60/40/212376040.db2.gz IZXSTCWKTVLKKO-UHFFFAOYSA-N 0 0 345.464 4.063 50 0 EIAARN COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 ZINC000000005085 201423946 /nfs/dbraw/zinc/42/39/46/201423946.db2.gz MDMWHKZANMNXTF-UHFFFAOYSA-N 0 0 347.414 4.240 50 0 in-vitro EIAARN Cc1cccc(OCCC(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000058357399 202760314 /nfs/dbraw/zinc/76/03/14/202760314.db2.gz BQXOQCUWYRFXAZ-CRAIPNDOSA-N 0 0 327.424 4.139 50 0 EIAARN COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(OC)c1O ZINC000000035020 201425033 /nfs/dbraw/zinc/42/50/33/201425033.db2.gz VHBVZDCCHLNMTN-HNNXBMFYSA-N 0 0 349.386 4.037 50 0 EIAARN FC(F)(F)c1ccc(-c2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000000039124 201425630 /nfs/dbraw/zinc/42/56/30/201425630.db2.gz QZSKKNJAWCUOIL-UHFFFAOYSA-N 0 0 331.219 4.434 50 0 EIAARN Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000023113966 212347749 /nfs/dbraw/zinc/34/77/49/212347749.db2.gz IGXRSOSDGCCFQV-QWHCGFSZSA-N 0 0 326.362 4.061 50 0 EIAARN Cc1cccc(NC(=O)N2CCC(c3nnc(C4CC4)s3)CC2)c1 ZINC000023140979 212354530 /nfs/dbraw/zinc/35/45/30/212354530.db2.gz KVCNUYZOOHEDSD-UHFFFAOYSA-N 0 0 342.468 4.135 50 0 EIAARN O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000023142531 212354405 /nfs/dbraw/zinc/35/44/05/212354405.db2.gz ANLQADKKJNGENP-UHFFFAOYSA-N 0 0 343.732 4.168 50 0 EIAARN O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1OC(F)F ZINC000022839947 212328263 /nfs/dbraw/zinc/32/82/63/212328263.db2.gz PESCGMFADHQGOG-UHFFFAOYSA-N 0 0 331.362 4.348 50 0 EIAARN c1csc(-c2noc(-c3ccccc3COC3CCOCC3)n2)c1 ZINC000193144870 240039090 /nfs/dbraw/zinc/03/90/90/240039090.db2.gz PHZCZWHUDOXHAE-UHFFFAOYSA-N 0 0 342.420 4.161 50 0 EIAARN CCCCCc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000022654284 212314749 /nfs/dbraw/zinc/31/47/49/212314749.db2.gz XLNCCDBWBBKQHM-UHFFFAOYSA-N 0 0 338.407 4.003 50 0 EIAARN Cc1noc(C)c1CSc1nc(C)nc2sc3c(c21)CCC3 ZINC000000087285 201431650 /nfs/dbraw/zinc/43/16/50/201431650.db2.gz XALJETDBTXJPEQ-UHFFFAOYSA-N 0 0 331.466 4.386 50 0 EIAARN CCOc1ccc([C@H]2CC(=O)Nc3ccccc3S2)cc1OC ZINC000000086476 201432018 /nfs/dbraw/zinc/43/20/18/201432018.db2.gz VMQVXAYVHQPQLE-QGZVFWFLSA-N 0 0 329.421 4.270 50 0 EIAARN Cc1c(OC(=O)C2CCCCC2)ccc2c3c(c(=O)oc12)CCC3 ZINC000000091070 201433161 /nfs/dbraw/zinc/43/31/61/201433161.db2.gz PFWWQFMGYHQPST-UHFFFAOYSA-N 0 0 326.392 4.076 50 0 EIAARN CCOC(=O)c1sc2nc(C)nc(Nc3ccc(F)cc3)c2c1C ZINC000000109441 201436402 /nfs/dbraw/zinc/43/64/02/201436402.db2.gz WUFHUYUZMAAIJO-UHFFFAOYSA-N 0 0 345.399 4.368 50 0 EIAARN S=C1N=NC(c2ccco2)N1c1ccc(OCc2ccccc2)cc1 ZINC000000128024 201437954 /nfs/dbraw/zinc/43/79/54/201437954.db2.gz QXDIZBGNNXNFHG-UHFFFAOYSA-N 0 0 349.415 4.395 50 0 EIAARN COc1ccc(CN(C)c2nc(C)nc3sc(C)c(C)c32)cc1F ZINC000022357385 212293534 /nfs/dbraw/zinc/29/35/34/212293534.db2.gz WJXKNAVUSDYUQO-UHFFFAOYSA-N 0 0 345.443 4.401 50 0 EIAARN Cc1cc(NC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)no1 ZINC000022357919 212293197 /nfs/dbraw/zinc/29/31/97/212293197.db2.gz SWHXURRFRVEHCC-SFHVURJKSA-N 0 0 339.370 4.375 50 0 EIAARN Cc1cc(Br)c(Br)cc1Br ZINC000000167106 201443311 /nfs/dbraw/zinc/44/33/11/201443311.db2.gz KZZJNNUPNNBCCH-UHFFFAOYSA-N 0 0 328.829 4.283 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000000172781 201444400 /nfs/dbraw/zinc/44/44/00/201444400.db2.gz 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RRCRNPUWSRUXGB-SFHVURJKSA-N 0 0 327.449 4.016 50 0 EIAARN COc1ccc(Nc2nc(Cc3cccc(OC)c3)cs2)cc1 ZINC000211138146 241082258 /nfs/dbraw/zinc/08/22/58/241082258.db2.gz UFXZGIZCFFMGII-UHFFFAOYSA-N 0 0 326.421 4.495 50 0 EIAARN C[C@@H](NC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 ZINC000000239588 201452541 /nfs/dbraw/zinc/45/25/41/201452541.db2.gz BNGOECDWXLLTOM-MRXNPFEDSA-N 0 0 344.414 4.430 50 0 EIAARN CCn1ccc2cc(C(=O)N3CC[C@@H]3c3cccc(OC)c3)ccc21 ZINC000216108587 241163798 /nfs/dbraw/zinc/16/37/98/241163798.db2.gz BKXLFCMOQYNUCS-HXUWFJFHSA-N 0 0 334.419 4.257 50 0 EIAARN CCn1nc(CC(C)C)cc1C(=O)N1CCc2ccc(F)cc2[C@@H]1C ZINC000216419122 241192999 /nfs/dbraw/zinc/19/29/99/241192999.db2.gz NKBPZGDFZCDUPV-AWEZNQCLSA-N 0 0 343.446 4.000 50 0 EIAARN CN(Cc1ccc([C@H]2CCCCO2)s1)Cc1[nH]nc2c1CCCC2 ZINC000215362785 241123838 /nfs/dbraw/zinc/12/38/38/241123838.db2.gz WCKHCQTZFZZWNV-GOSISDBHSA-N 0 0 345.512 4.224 50 0 EIAARN Cc1nn(-c2ccccc2)c2nc3c(cc12)c(C)nn3-c1ccccc1 ZINC000034751742 201452358 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CCn1c2ccccc2c(C)c1-c1cc(NC(=O)C2CCCC2)n[nH]1 ZINC000075558780 203318917 /nfs/dbraw/zinc/31/89/17/203318917.db2.gz FWQYZIGGEMKHCJ-UHFFFAOYSA-N 0 0 336.439 4.488 50 0 EIAARN O=C(Nc1cccc2[nH]cnc21)c1ccc(OCc2ccccc2)cc1 ZINC000075566726 203318946 /nfs/dbraw/zinc/31/89/46/203318946.db2.gz QXVSHCDETOIKCO-UHFFFAOYSA-N 0 0 343.386 4.394 50 0 EIAARN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCc2ccccc21 ZINC000075902963 203327436 /nfs/dbraw/zinc/32/74/36/203327436.db2.gz CZVOJQFQUZWAEF-UHFFFAOYSA-N 0 0 330.796 4.259 50 0 EIAARN Cc1ccc(C(=O)N(CCC(C)C)[C@@H](C)CCCC(C)C)c(=O)[nH]1 ZINC000076066822 203334908 /nfs/dbraw/zinc/33/49/08/203334908.db2.gz CDTFGARAAZTPRQ-KRWDZBQOSA-N 0 0 334.504 4.386 50 0 EIAARN Cc1nc([C@H](C)N(C)Cc2nnc(-c3ccccc3)o2)c(C)s1 ZINC000077299335 203378193 /nfs/dbraw/zinc/37/81/93/203378193.db2.gz NRWIAFALJREVFS-NSHDSACASA-N 0 0 328.441 4.003 50 0 EIAARN CC(C)c1nc(CN(C)Cc2ccc([C@H]3CCCCO3)s2)no1 ZINC000077376626 203383211 /nfs/dbraw/zinc/38/32/11/203383211.db2.gz NQGCYONFXZFLES-CQSZACIVSA-N 0 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Fc1ccc(Br)c(Cl)c1-c1nc2cc[nH]cc-2n1 ZINC000095704843 203766461 /nfs/dbraw/zinc/76/64/61/203766461.db2.gz QIAQHJKAPBHMMQ-UHFFFAOYSA-N 0 0 326.556 4.180 50 0 EIAARN CC1(CNc2ncc(Cc3ccc(F)c(F)c3)s2)CCOCC1 ZINC000095943702 203770021 /nfs/dbraw/zinc/77/00/21/203770021.db2.gz NTUIPIXASDWDCU-UHFFFAOYSA-N 0 0 338.423 4.241 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)c2c(Cl)nccc2C(F)(F)F)[C@@H]1C ZINC000095941713 203770566 /nfs/dbraw/zinc/77/05/66/203770566.db2.gz BPKIMIYFOLDNPK-FXPVBKGRSA-N 0 0 334.769 4.308 50 0 EIAARN Cc1nc(CN(C)[C@H](C)c2nc(-c3ccccc3C)no2)cs1 ZINC000095962833 203777067 /nfs/dbraw/zinc/77/70/67/203777067.db2.gz FENPAYOUQFERIQ-GFCCVEGCSA-N 0 0 328.441 4.003 50 0 EIAARN CCOCc1ccccc1NC(=O)N(C)[C@H]1CC[C@H](SCC)C1 ZINC000095965226 203777890 /nfs/dbraw/zinc/77/78/90/203777890.db2.gz WPEZBRZRLONFAI-HOTGVXAUSA-N 0 0 336.501 4.361 50 0 EIAARN Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000096148067 203843689 /nfs/dbraw/zinc/84/36/89/203843689.db2.gz WZSCKUIMXCXGSW-LJQANCHMSA-N 0 0 347.418 4.068 50 0 EIAARN CCCCOc1ccc(/C=C2/c3ccccc3N(C)C2=O)cc1OC ZINC000096669508 203896493 /nfs/dbraw/zinc/89/64/93/203896493.db2.gz YPJZGCZNPOKSPZ-LGMDPLHJSA-N 0 0 337.419 4.391 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C1CCCCC1 ZINC000096223054 203873855 /nfs/dbraw/zinc/87/38/55/203873855.db2.gz MOTTVBIVOLUJAZ-GOSISDBHSA-N 0 0 326.440 4.250 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCc1ccccc1 ZINC000096222760 203874670 /nfs/dbraw/zinc/87/46/70/203874670.db2.gz MQICROXLFLOEKZ-HXUWFJFHSA-N 0 0 348.446 4.303 50 0 biogenic EIAARN COc1ccc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000096791977 203897388 /nfs/dbraw/zinc/89/73/88/203897388.db2.gz BMZLXTMFWPTZPB-FLIBITNWSA-N 0 0 338.432 4.042 50 0 EIAARN Cc1nnc(CSCc2ccc(Cl)cc2Br)o1 ZINC000097014568 203906145 /nfs/dbraw/zinc/90/61/45/203906145.db2.gz VJRXMXGYZHYMMS-UHFFFAOYSA-N 0 0 333.638 4.227 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000097022855 203907976 /nfs/dbraw/zinc/90/79/76/203907976.db2.gz 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/nfs/dbraw/zinc/03/80/60/204038060.db2.gz KMIYFEFCCLFQOQ-UHFFFAOYSA-N 0 0 346.434 4.287 50 0 EIAARN Oc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc32)cc1 ZINC000100900948 204000225 /nfs/dbraw/zinc/00/02/25/204000225.db2.gz WXHYWPFNNWXWSR-UHFFFAOYSA-N 0 0 329.359 4.452 50 0 in-vivo EIAARN CCOc1ccc(C[C@H]2c3cc(C)ccc3NC2=O)cc1OCC ZINC000101016709 204001450 /nfs/dbraw/zinc/00/14/50/204001450.db2.gz NFSFZBTUDCHSQI-INIZCTEOSA-N 0 0 325.408 4.071 50 0 EIAARN CN(Cc1ccc(F)cc1)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101357825 204005600 /nfs/dbraw/zinc/00/56/00/204005600.db2.gz WDEVAXZJCYZEKG-NRFANRHFSA-N 0 0 346.405 4.351 50 0 EIAARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000102605285 204042701 /nfs/dbraw/zinc/04/27/01/204042701.db2.gz UCKUUTXBBIIZEL-AUUYWEPGSA-N 0 0 346.390 4.245 50 0 EIAARN Cc1cc(C)c2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000041195271 204026336 /nfs/dbraw/zinc/02/63/36/204026336.db2.gz DKMKHNBDDPEXTL-UHFFFAOYSA-N 0 0 345.439 4.038 50 0 EIAARN CCSc1nc2n(n1)[C@H](c1ccccc1C)C1C(=O)CCCC1=N2 ZINC000102678649 204045316 /nfs/dbraw/zinc/04/53/16/204045316.db2.gz POEWSOPRMBFHNW-MRXNPFEDSA-N 0 0 340.452 4.370 50 0 EIAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000102664523 204045978 /nfs/dbraw/zinc/04/59/78/204045978.db2.gz XUZDIBCIARCKOC-JXFKEZNVSA-N 0 0 342.402 4.343 50 0 EIAARN CCCCNC(=O)c1sc(COc2ccc(C)c(C)c2)nc1C ZINC000102847855 204051279 /nfs/dbraw/zinc/05/12/79/204051279.db2.gz WHDOMPKSRFGBGY-UHFFFAOYSA-N 0 0 332.469 4.177 50 0 EIAARN COCCN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000042382177 204094187 /nfs/dbraw/zinc/09/41/87/204094187.db2.gz GTLVPUBDINXIDO-UHFFFAOYSA-N 0 0 331.481 4.334 50 0 EIAARN O=C(c1ccc(CSc2ncccc2Cl)cc1)N1CCCC1 ZINC000043792197 204288519 /nfs/dbraw/zinc/28/85/19/204288519.db2.gz AAXSKLVSMRZSDG-UHFFFAOYSA-N 0 0 332.856 4.263 50 0 EIAARN CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000048065935 204339227 /nfs/dbraw/zinc/33/92/27/204339227.db2.gz SOKQEOUJCPWSNJ-GOFCXVBSSA-N 0 0 338.407 4.146 50 0 EIAARN Cc1cccc2nc(CS[C@H](C)c3ccc(F)cc3)cc(=O)n12 ZINC000045091114 204316105 /nfs/dbraw/zinc/31/61/05/204316105.db2.gz PRBBTGQBAZAVDJ-CYBMUJFWSA-N 0 0 328.412 4.136 50 0 EIAARN CN(Cc1cc(Br)cs1)C(=O)c1cccc(Cl)c1 ZINC000048069383 204338976 /nfs/dbraw/zinc/33/89/76/204338976.db2.gz DAYKKQMGQBHVNU-UHFFFAOYSA-N 0 0 344.661 4.436 50 0 EIAARN CC(C)Oc1cccc(CSc2nc3sccc3c(=O)n2C)c1 ZINC000048353910 204347400 /nfs/dbraw/zinc/34/74/00/204347400.db2.gz LPKLXEDXRODYDO-UHFFFAOYSA-N 0 0 346.477 4.075 50 0 EIAARN COc1cc([C@H](C)NC(=O)c2occc2C)ccc1OC1CCCC1 ZINC000048340465 204347441 /nfs/dbraw/zinc/34/74/41/204347441.db2.gz UAMDIRRDFCXQOC-AWEZNQCLSA-N 0 0 343.423 4.409 50 0 EIAARN CCCCCOc1ccc([C@@H](C)NC(=O)c2ccoc2)cc1OC ZINC000048354936 204347517 /nfs/dbraw/zinc/34/75/17/204347517.db2.gz YKGNMXIVQFZNSA-CQSZACIVSA-N 0 0 331.412 4.348 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000120697444 204754161 /nfs/dbraw/zinc/75/41/61/204754161.db2.gz RPWPRSKWRFUDOJ-QGZVFWFLSA-N 0 0 337.467 4.434 50 0 EIAARN CC/C=C(/C)C(=O)N(CC)[C@H](c1ccc(OC)cc1)c1cccnc1 ZINC000079034564 217179053 /nfs/dbraw/zinc/17/90/53/217179053.db2.gz IWWIJSGREJPBCB-ATPWARJRSA-N 0 0 338.451 4.384 50 0 EIAARN COC(=O)c1c(C)n(CCCCc2ccccc2)c2ccc(O)cc21 ZINC000226761085 205154118 /nfs/dbraw/zinc/15/41/18/205154118.db2.gz DTUXWLXJKDCPFG-UHFFFAOYSA-N 0 0 337.419 4.465 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)Nc2ccc3oc(C)nc3c2)s1 ZINC000015598612 211834296 /nfs/dbraw/zinc/83/42/96/211834296.db2.gz ZBQCSVFZMLPDOM-UHFFFAOYSA-N 0 0 328.393 4.108 50 0 EIAARN CC(=O)Nc1ccc(N[C@@H](c2ncc[nH]2)c2ccccc2)c(Cl)c1 ZINC000129607558 205203925 /nfs/dbraw/zinc/20/39/25/205203925.db2.gz JXCXTXRXADCZNR-QGZVFWFLSA-N 0 0 340.814 4.223 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000132512202 205329042 /nfs/dbraw/zinc/32/90/42/205329042.db2.gz YEKHEQIYZKFMRW-CQSZACIVSA-N 0 0 345.446 4.339 50 0 EIAARN O=C(N[C@@H]1CCSc2ccccc21)N[C@H]1CCOC2(CCCC2)C1 ZINC000132984773 205350379 /nfs/dbraw/zinc/35/03/79/205350379.db2.gz NGFSGFVIHZBPBS-GOEBONIOSA-N 0 0 346.496 4.015 50 0 EIAARN COC(=O)c1cccc(Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000144609 205414906 /nfs/dbraw/zinc/41/49/06/205414906.db2.gz DIQAHCCMZFHIED-UHFFFAOYSA-N 0 0 339.420 4.100 50 0 EIAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(Cl)cc1Cl ZINC000000344821 205434245 /nfs/dbraw/zinc/43/42/45/205434245.db2.gz OWJPPSOFTIYECL-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN CCCCn1cnc2scc(-c3ccc(OCC)cc3)c2c1=O ZINC000001892821 205600888 /nfs/dbraw/zinc/60/08/88/205600888.db2.gz BENINGTZIQKAAB-UHFFFAOYSA-N 0 0 328.437 4.324 50 0 EIAARN CCCCc1nc2sc3c(ncnc3OCC)c2c2c1CCC2 ZINC000002235995 205618200 /nfs/dbraw/zinc/61/82/00/205618200.db2.gz ZFBDLOLUFVFPOB-UHFFFAOYSA-N 0 0 327.453 4.470 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000002652802 205626378 /nfs/dbraw/zinc/62/63/78/205626378.db2.gz ZDWMHJLCJLXELZ-UHFFFAOYSA-N 0 0 329.212 4.366 50 0 EIAARN CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@@H]1[C@H]2C ZINC000004025695 205670463 /nfs/dbraw/zinc/67/04/63/205670463.db2.gz KPUIORAMYKZOGW-GSXURMFVSA-N 0 0 329.440 4.489 50 0 biogenic EIAARN Cn1cc(SCC(=O)Nc2ccc(F)cc2F)c2ccccc21 ZINC000004060471 205676975 /nfs/dbraw/zinc/67/69/75/205676975.db2.gz TUFJYPXIGFKXJQ-UHFFFAOYSA-N 0 0 332.375 4.187 50 0 EIAARN CCCn1cc(SCC(=O)NCc2ccccc2)c2ccccc21 ZINC000004060596 205677357 /nfs/dbraw/zinc/67/73/57/205677357.db2.gz FFINMTPSZARUJV-UHFFFAOYSA-N 0 0 338.476 4.460 50 0 EIAARN O=C(Cc1ccccc1)Nc1nc2c(cccc2Br)s1 ZINC000004348684 205707037 /nfs/dbraw/zinc/70/70/37/205707037.db2.gz BHLLEAUWOZYWFI-UHFFFAOYSA-N 0 0 347.237 4.240 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)c(C)c1 ZINC000004479455 205707785 /nfs/dbraw/zinc/70/77/85/205707785.db2.gz RIFNBRVZQSKMPX-SOFGYWHQSA-N 0 0 325.393 4.067 50 0 EIAARN Cc1ccc(SCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000004496441 205709598 /nfs/dbraw/zinc/70/95/98/205709598.db2.gz ZQHLVADDCGYSLG-GFCCVEGCSA-N 0 0 332.494 4.307 50 0 EIAARN O=C1CCCC[C@H]1Sc1nn(-c2ccc(F)cc2)c(=S)s1 ZINC000005175987 205756045 /nfs/dbraw/zinc/75/60/45/205756045.db2.gz RBVOGULSVMAVGE-GFCCVEGCSA-N 0 0 340.470 4.406 50 0 EIAARN CC[C@@H](C)Nc1ncnc2sc([C@@H]3COc4ccccc4O3)cc21 ZINC000006489061 205808824 /nfs/dbraw/zinc/80/88/24/205808824.db2.gz GBMPWKUUQPHOGO-ABAIWWIYSA-N 0 0 341.436 4.414 50 0 EIAARN C[C@H](c1ccccc1)n1c(SC(F)F)nc2ccccc2c1=O ZINC000006786969 205824823 /nfs/dbraw/zinc/82/48/23/205824823.db2.gz XONLUOAQZLWILA-LLVKDONJSA-N 0 0 332.375 4.321 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)OCc1cc(-c2ccco2)on1 ZINC000007319230 205831242 /nfs/dbraw/zinc/83/12/42/205831242.db2.gz YQPKZPPJMPZWPD-UHFFFAOYSA-N 0 0 336.347 4.092 50 0 EIAARN C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccn1 ZINC000007597381 205835772 /nfs/dbraw/zinc/83/57/72/205835772.db2.gz PDVCIDCXPSBUJJ-CQSZACIVSA-N 0 0 330.387 4.401 50 0 EIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000007724542 205841261 /nfs/dbraw/zinc/84/12/61/205841261.db2.gz DKIZFKKRJSWEPF-VOTSOKGWSA-N 0 0 346.883 4.072 50 0 EIAARN CCCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000008959249 205888855 /nfs/dbraw/zinc/88/88/55/205888855.db2.gz NMSFMQZEZDLGBW-UHFFFAOYSA-N 0 0 346.471 4.223 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000008772561 205867052 /nfs/dbraw/zinc/86/70/52/205867052.db2.gz DKMXVRHKWJHXBJ-UHFFFAOYSA-N 0 0 345.399 4.369 50 0 EIAARN Cc1cccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000156302252 206070603 /nfs/dbraw/zinc/07/06/03/206070603.db2.gz PSXINWNRWKZHKJ-UHFFFAOYSA-N 0 0 342.414 4.347 50 0 EIAARN Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000156513944 206083062 /nfs/dbraw/zinc/08/30/62/206083062.db2.gz QNUCZLMIWJTLHR-JKSUJKDBSA-N 0 0 349.459 4.280 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000183826 206210191 /nfs/dbraw/zinc/21/01/91/206210191.db2.gz ADQGATFGOPYCNQ-UHFFFAOYSA-N 0 0 338.190 4.422 50 0 EIAARN O=C(COc1ccccc1Cl)Nc1cccc(Br)c1 ZINC000000094364 206211015 /nfs/dbraw/zinc/21/10/15/206211015.db2.gz AFUDZYILWWKCPS-UHFFFAOYSA-N 0 0 340.604 4.120 50 0 EIAARN COc1cccc2c1N(Cc1nnc(-c3ccccc3C)o1)CCC2 ZINC000159075868 206225820 /nfs/dbraw/zinc/22/58/20/206225820.db2.gz HDEUVSZKMWSUTJ-UHFFFAOYSA-N 0 0 335.407 4.006 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000000304121 206231708 /nfs/dbraw/zinc/23/17/08/206231708.db2.gz XKYUPHCCEIRFAK-UHFFFAOYSA-N 0 0 340.423 4.465 50 0 EIAARN O=C(c1ccc(Br)o1)N1CCC(Cc2ccccc2)CC1 ZINC000000373820 206236050 /nfs/dbraw/zinc/23/60/50/206236050.db2.gz RNEUUPHTAIURHH-UHFFFAOYSA-N 0 0 348.240 4.137 50 0 EIAARN Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(Cl)c3)sc2n1 ZINC000000422679 206239465 /nfs/dbraw/zinc/23/94/65/206239465.db2.gz DRMKWTPNVFDLMH-UHFFFAOYSA-N 0 0 331.828 4.401 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000000453515 206240797 /nfs/dbraw/zinc/24/07/97/206240797.db2.gz LBLPCPAJSAJUPR-BJMVGYQFSA-N 0 0 346.224 4.418 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 ZINC000000884374 206253944 /nfs/dbraw/zinc/25/39/44/206253944.db2.gz NYLPGRLOHDSBJZ-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN CC(C)CCCCCCOc1ccc([C@H]2CC(=O)N(C)C2=O)cc1 ZINC000100741038 206255062 /nfs/dbraw/zinc/25/50/62/206255062.db2.gz SLOINWSHWICARJ-GOSISDBHSA-N 0 0 331.456 4.144 50 0 biogenic EIAARN CCn1c2c(cccc2F)s/c1=N\C(=O)/C=C/c1cccs1 ZINC000100823751 206257627 /nfs/dbraw/zinc/25/76/27/206257627.db2.gz INZGQGYHTKSVFK-CCXUNVLVSA-N 0 0 332.425 4.064 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000002380723 206383256 /nfs/dbraw/zinc/38/32/56/206383256.db2.gz DLNMLPGZHDNQEL-UHFFFAOYSA-N 0 0 332.325 4.159 50 0 EIAARN CC(C)c1ccc(/C=C\C(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000005799192 206507190 /nfs/dbraw/zinc/50/71/90/206507190.db2.gz WXHJHBDYRBUEBH-XFXZXTDPSA-N 0 0 333.435 4.058 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCCCC2)cc1 ZINC000006820464 206520426 /nfs/dbraw/zinc/52/04/26/206520426.db2.gz OYRJVQZPFYHIOU-UHFFFAOYSA-N 0 0 333.435 4.339 50 0 EIAARN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)c(F)c1 ZINC000170613292 206587454 /nfs/dbraw/zinc/58/74/54/206587454.db2.gz CDQHRLTZQKZPEC-ZDUSSCGKSA-N 0 0 347.411 4.061 50 0 EIAARN C[C@H](Cc1ccoc1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000206663037 206606535 /nfs/dbraw/zinc/60/65/35/206606535.db2.gz VSJZADSHULDLEB-CQSZACIVSA-N 0 0 331.843 4.492 50 0 EIAARN O=C(c1cccc(Cl)c1)N(CCc1cccs1)C1CCOCC1 ZINC000206675352 206608142 /nfs/dbraw/zinc/60/81/42/206608142.db2.gz GDHQOYPFPXLEOD-UHFFFAOYSA-N 0 0 349.883 4.265 50 0 EIAARN O=C(NCc1ccc([C@H](O)c2ccco2)s1)c1ccccc1Cl ZINC000206683734 206612092 /nfs/dbraw/zinc/61/20/92/206612092.db2.gz WLBCCHUBAQAUMQ-MRXNPFEDSA-N 0 0 347.823 4.006 50 0 EIAARN O=C(CNc1cc(F)ccc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000011621899 211228195 /nfs/dbraw/zinc/22/81/95/211228195.db2.gz XHTBMVQKIYLAEE-UHFFFAOYSA-N 0 0 330.256 4.034 50 0 EIAARN CCCCOc1ccc(C(=O)N[C@@H](C)CC)cc1Br ZINC000010120510 211150598 /nfs/dbraw/zinc/15/05/98/211150598.db2.gz WDSJGOTTYWTXCR-NSHDSACASA-N 0 0 328.250 4.156 50 0 EIAARN CCC[C@H](NC(=O)[C@H](C)N1CCc2sccc2C1)c1ccccc1 ZINC000010093983 211146882 /nfs/dbraw/zinc/14/68/82/211146882.db2.gz OCANSTJKSOQSKY-YJBOKZPZSA-N 0 0 342.508 4.152 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)ccn2)sc2nc(-c3ccccc3)cn12 ZINC000008843362 211009177 /nfs/dbraw/zinc/00/91/77/211009177.db2.gz MCBYLFFRCHSQPA-UHFFFAOYSA-N 0 0 348.431 4.327 50 0 EIAARN Cc1nnc([C@@H](C)SCc2csc(COc3ccccc3)n2)o1 ZINC000095412895 218350681 /nfs/dbraw/zinc/35/06/81/218350681.db2.gz VZSRLLDQUWYHRX-LLVKDONJSA-N 0 0 347.465 4.408 50 0 EIAARN CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000095414607 218352120 /nfs/dbraw/zinc/35/21/20/218352120.db2.gz UXJNOCLXWKFSLI-GOSISDBHSA-N 0 0 332.444 4.020 50 0 EIAARN CC[C@H](C)[C@H](NC(=O)Nc1ccccc1Cl)C(=O)OC(C)(C)C ZINC000095436594 218379229 /nfs/dbraw/zinc/37/92/29/218379229.db2.gz MOYILEPLUKUQQJ-FZMZJTMJSA-N 0 0 340.851 4.218 50 0 EIAARN COc1ccc(CNc2ccc(C(=O)N3CCCC3)cc2)cc1Cl ZINC000095448510 218392945 /nfs/dbraw/zinc/39/29/45/218392945.db2.gz XBIOPFQFSDRGIR-UHFFFAOYSA-N 0 0 344.842 4.197 50 0 EIAARN Cc1cc(C)nc(Oc2ccc(NC(=O)CCc3ccccc3)cc2)n1 ZINC000012090144 207064402 /nfs/dbraw/zinc/06/44/02/207064402.db2.gz KXFAENIGYHZJSX-UHFFFAOYSA-N 0 0 347.418 4.457 50 0 EIAARN Cc1ccc(-c2cc(CNC(=O)c3cc4ccccc4o3)no2)cc1 ZINC000012235624 207081689 /nfs/dbraw/zinc/08/16/89/207081689.db2.gz BIMBOGXSSJWFJP-UHFFFAOYSA-N 0 0 332.359 4.326 50 0 EIAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2)cc1 ZINC000012344363 207110770 /nfs/dbraw/zinc/11/07/70/207110770.db2.gz VJJYATSMCVWMAH-FQEVSTJZSA-N 0 0 331.419 4.434 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)Cc1cc(-c2cccs2)on1 ZINC000012422240 207144356 /nfs/dbraw/zinc/14/43/56/207144356.db2.gz TVCRBZYDRGQPOU-AWEZNQCLSA-N 0 0 340.448 4.083 50 0 EIAARN Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000012695718 207186526 /nfs/dbraw/zinc/18/65/26/207186526.db2.gz KPWPBEVCOYUSSI-GFCCVEGCSA-N 0 0 343.370 4.053 50 0 EIAARN CSCCc1ccc(NC(=O)NC(C)(C)c2nccs2)cc1 ZINC000096407960 218759929 /nfs/dbraw/zinc/75/99/29/218759929.db2.gz MSXBZSJHLWIYJM-UHFFFAOYSA-N 0 0 335.498 4.105 50 0 EIAARN Cc1ccc(-c2cc(CC(=O)N3c4ccccc4C[C@H]3C)no2)cc1 ZINC000012862699 207252642 /nfs/dbraw/zinc/25/26/42/207252642.db2.gz XRVPJMBYEABZMZ-OAHLLOKOSA-N 0 0 332.403 4.170 50 0 EIAARN CSc1ccccc1C(=O)NCc1cc(-c2cccs2)on1 ZINC000012725386 207243261 /nfs/dbraw/zinc/24/32/61/207243261.db2.gz JQMGYPGPFJWPGY-UHFFFAOYSA-N 0 0 330.434 4.055 50 0 EIAARN C=Cc1ccc(COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 ZINC000012902385 207262335 /nfs/dbraw/zinc/26/23/35/207262335.db2.gz CBAZWJFRLQEVNB-UHFFFAOYSA-N 0 0 346.430 4.345 50 0 biogenic EIAARN C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000012910997 207262436 /nfs/dbraw/zinc/26/24/36/207262436.db2.gz RBJSWHDOFHBLMF-GFCCVEGCSA-N 0 0 326.396 4.440 50 0 EIAARN C[C@@H](OCCCNC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000013006910 207273059 /nfs/dbraw/zinc/27/30/59/207273059.db2.gz BSVABCKOOMCTBG-CYBMUJFWSA-N 0 0 335.806 4.377 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(C)cc1 ZINC000012923553 207264851 /nfs/dbraw/zinc/26/48/51/207264851.db2.gz FLIDSLLIJNONGY-LJQANCHMSA-N 0 0 336.435 4.225 50 0 EIAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000012942208 207266628 /nfs/dbraw/zinc/26/66/28/207266628.db2.gz MPOHJPZOZDHLBR-FQEVSTJZSA-N 0 0 338.451 4.088 50 0 EIAARN Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1Cl ZINC000013097265 207288938 /nfs/dbraw/zinc/28/89/38/207288938.db2.gz DRVRAQWAVUPYEL-VMPITWQZSA-N 0 0 343.810 4.462 50 0 EIAARN Cn1c(S[C@H]2CCCCc3ccccc32)nnc1-c1cccnc1 ZINC000177185116 207303538 /nfs/dbraw/zinc/30/35/38/207303538.db2.gz JTTYOYSQAUOWRG-KRWDZBQOSA-N 0 0 336.464 4.437 50 0 EIAARN Nc1nc(Nc2ccccc2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000013573688 207469815 /nfs/dbraw/zinc/46/98/15/207469815.db2.gz QTZBVQXMFYKLQT-UHFFFAOYSA-N 0 0 344.827 4.375 50 0 EIAARN CC[C@@](C)(NC(=O)Nc1cccc([C@@H](C)OC)c1)c1nccs1 ZINC000096418040 218780129 /nfs/dbraw/zinc/78/01/29/218780129.db2.gz UYUPUGMTHBVDGR-SJKOYZFVSA-N 0 0 333.457 4.297 50 0 EIAARN O=C(NC[C@@H](O)c1ccsc1)Nc1cc(-c2ccco2)ccc1F ZINC000096435477 218813532 /nfs/dbraw/zinc/81/35/32/218813532.db2.gz ADWMBAKNGNYQPH-OAHLLOKOSA-N 0 0 346.383 4.002 50 0 EIAARN Cc1c(CNC(=O)N[C@H](c2nccs2)C2CC2)oc2ccccc12 ZINC000096440334 218820737 /nfs/dbraw/zinc/82/07/37/218820737.db2.gz GASSZVJFMLCMIC-INIZCTEOSA-N 0 0 341.436 4.148 50 0 EIAARN Cc1cnc([C@@H](NC(=O)N(Cc2cccs2)C2CC2)C2CC2)s1 ZINC000096444053 218825686 /nfs/dbraw/zinc/82/56/86/218825686.db2.gz GFPOTYVAUGKFPZ-HNNXBMFYSA-N 0 0 347.509 4.338 50 0 EIAARN C[S@](=O)Cc1ccc(Cl)c(NCc2cccc3cccnc32)c1 ZINC000096453612 218837737 /nfs/dbraw/zinc/83/77/37/218837737.db2.gz PPODUNPHKFJEER-HSZRJFAPSA-N 0 0 344.867 4.379 50 0 EIAARN CO[C@@H](C)c1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 ZINC000096459623 218843125 /nfs/dbraw/zinc/84/31/25/218843125.db2.gz DHYVUIXZOJHWCJ-YJBOKZPZSA-N 0 0 334.460 4.063 50 0 EIAARN O=C(Nc1ccccc1F)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000096467925 218848067 /nfs/dbraw/zinc/84/80/67/218848067.db2.gz LDOZFBYHRJMLRZ-WMLDXEAASA-N 0 0 346.402 4.319 50 0 EIAARN CCOC(=O)Nc1cccc(NCc2nc3ccccc3n2C)c1C ZINC000096482752 218858195 /nfs/dbraw/zinc/85/81/95/218858195.db2.gz SDUOTCWFVQBEHX-UHFFFAOYSA-N 0 0 338.411 4.062 50 0 EIAARN Cc1noc(C)c1[C@H](C)CC(=O)N(c1ccccn1)C1CCCC1 ZINC000096484093 218860266 /nfs/dbraw/zinc/86/02/66/218860266.db2.gz DPOOSBZFDFZNET-CYBMUJFWSA-N 0 0 327.428 4.156 50 0 EIAARN C[C@H]1CSc2ccccc2N1C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000122201006 257974469 /nfs/dbraw/zinc/97/44/69/257974469.db2.gz YYSOTDVTGCVJOR-FZMZJTMJSA-N 0 0 346.477 4.136 50 0 EIAARN Brc1ccc(CN[C@@H](c2nccs2)c2ccccc2)o1 ZINC000190908680 257952380 /nfs/dbraw/zinc/95/23/80/257952380.db2.gz KFMUKBDBTQQLKO-CQSZACIVSA-N 0 0 349.253 4.378 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(Oc2cccnn2)c1)c1ccccc1F ZINC000175913752 257954164 /nfs/dbraw/zinc/95/41/64/257954164.db2.gz KQBFLIAHANHWSY-CYBMUJFWSA-N 0 0 337.354 4.150 50 0 EIAARN CCCO[C@@H](C)CNC(=O)c1ccc(-c2nccc3ccccc32)cc1 ZINC000426746127 257956515 /nfs/dbraw/zinc/95/65/15/257956515.db2.gz RFBIQBJZUDIVEE-INIZCTEOSA-N 0 0 348.446 4.447 50 0 EIAARN Cc1cnc(C)c(-c2ccc(C(=O)N(C)[C@H](C)c3ccco3)cc2)n1 ZINC000426662012 257959002 /nfs/dbraw/zinc/95/90/02/257959002.db2.gz LEWWBUMHQLMJMA-OAHLLOKOSA-N 0 0 335.407 4.187 50 0 EIAARN O=C(N[C@H]1COC2(C1)CCCCC2)c1cc2cc(Cl)ccc2[nH]1 ZINC000426534123 257964466 /nfs/dbraw/zinc/96/44/66/257964466.db2.gz WOUQVXDWKUQSPQ-CQSZACIVSA-N 0 0 332.831 4.043 50 0 EIAARN CN(CCc1cnccn1)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000271558127 257943035 /nfs/dbraw/zinc/94/30/35/257943035.db2.gz NTMRNQYNIOWGOQ-UHFFFAOYSA-N 0 0 344.484 4.074 50 0 EIAARN O=C(c1cc2ccccc2s1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268342818 257943166 /nfs/dbraw/zinc/94/31/66/257943166.db2.gz PMJZVLFVZRVJKB-HUUCEWRRSA-N 0 0 341.432 4.223 50 0 EIAARN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000328596192 258042535 /nfs/dbraw/zinc/04/25/35/258042535.db2.gz WOKOVVHHKSGJSA-MRVPVSSYSA-N 0 0 325.195 4.015 50 0 EIAARN CCN(C(=O)c1cccc(-c2nnc(C)o2)c1)c1ccccc1Cl ZINC000408513157 257985122 /nfs/dbraw/zinc/98/51/22/257985122.db2.gz BHWKXOTWHHORHC-UHFFFAOYSA-N 0 0 341.798 4.365 50 0 EIAARN CC(C)n1cc2ccc(NC(=O)c3occc3Br)cc2n1 ZINC000408513388 257985468 /nfs/dbraw/zinc/98/54/68/257985468.db2.gz ROGGACBEUHOCKL-UHFFFAOYSA-N 0 0 348.200 4.225 50 0 EIAARN CCC[C@H](NC(=O)Nc1ccc2oc(C)cc2c1)c1nccn1C ZINC000299768465 258082994 /nfs/dbraw/zinc/08/29/94/258082994.db2.gz OUDQQHNHPRUFRB-HNNXBMFYSA-N 0 0 326.400 4.138 50 0 EIAARN CC(C)c1nc(CNC(=O)CCCc2c[nH]c3ccccc23)cs1 ZINC000299784403 258091626 /nfs/dbraw/zinc/09/16/26/258091626.db2.gz JQDRZGBXEWHUEF-UHFFFAOYSA-N 0 0 341.480 4.387 50 0 EIAARN CSc1cccc(CN(C)C(=O)Nc2ccnn2[C@H](C)C2CC2)c1 ZINC000299796086 258100408 /nfs/dbraw/zinc/10/04/08/258100408.db2.gz NPGCCFPJLPSIDN-CYBMUJFWSA-N 0 0 344.484 4.240 50 0 EIAARN COc1cc(NC(=O)N[C@H](CC(C)C)c2cccnc2)ccc1C ZINC000299798947 258102205 /nfs/dbraw/zinc/10/22/05/258102205.db2.gz TYUCGCTTZUREEC-QGZVFWFLSA-N 0 0 327.428 4.308 50 0 EIAARN CN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2ccc3[nH]ccc3c2)c1 ZINC000299801435 258104263 /nfs/dbraw/zinc/10/42/63/258104263.db2.gz YEPFCGWTGORHFQ-HXUWFJFHSA-N 0 0 348.446 4.476 50 0 EIAARN O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(Cl)c1Cl ZINC000000455668 258048253 /nfs/dbraw/zinc/04/82/53/258048253.db2.gz WKIWGBXVGBFWDF-VOTSOKGWSA-N 0 0 341.219 4.113 50 0 EIAARN COc1ccc(Cl)cc1N1C(=S)N=NC1CCc1ccccc1 ZINC000006490753 258052047 /nfs/dbraw/zinc/05/20/47/258052047.db2.gz YXVWZOIQPSVXEY-UHFFFAOYSA-N 0 0 345.855 4.003 50 0 EIAARN C[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccnc2)cs1 ZINC000069703640 258063630 /nfs/dbraw/zinc/06/36/30/258063630.db2.gz FLNSNHCLYGACBX-NSHDSACASA-N 0 0 343.839 4.350 50 0 EIAARN Cc1ccc(CN(C(=O)c2cnccn2)[C@H]2CCc3ccccc32)cc1 ZINC000071808660 258064023 /nfs/dbraw/zinc/06/40/23/258064023.db2.gz JWJDKNASRWFGDZ-NRFANRHFSA-N 0 0 343.430 4.115 50 0 EIAARN COCCS[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000095414721 258066868 /nfs/dbraw/zinc/06/68/68/258066868.db2.gz BABWMMYLCKXCHV-QMMMGPOBSA-N 0 0 333.240 4.484 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000245238634 258073046 /nfs/dbraw/zinc/07/30/46/258073046.db2.gz XBSQQVJXPODPRW-LBCMOLISSA-N 0 0 344.495 4.386 50 0 EIAARN CC(C)c1nc(CNC(=O)CCSCc2ccccc2)cs1 ZINC000299757197 258075227 /nfs/dbraw/zinc/07/52/27/258075227.db2.gz NSOFALUCJSFBHE-UHFFFAOYSA-N 0 0 334.510 4.206 50 0 EIAARN CC[C@@H](NC(=O)CCSCc1ccccc1)c1cccc(C)n1 ZINC000299758830 258076057 /nfs/dbraw/zinc/07/60/57/258076057.db2.gz QGWDBOPJUNUPFG-QGZVFWFLSA-N 0 0 328.481 4.281 50 0 EIAARN COc1ccc(Cl)cc1-c1cccc(C(=O)N2CCSCC2)c1 ZINC000299758209 258076093 /nfs/dbraw/zinc/07/60/93/258076093.db2.gz PKUKVVHPOQLDAJ-UHFFFAOYSA-N 0 0 347.867 4.205 50 0 EIAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(Cl)cc1 ZINC000035477631 132390508 /nfs/dbraw/zinc/39/05/08/132390508.db2.gz HJTUGTCIBHBKFE-UHFFFAOYSA-N 0 0 333.844 4.496 50 0 EIAARN C1CC1c1nc2sc3c(c2c(N2CCSCC2)n1)CCCC3 ZINC000035848790 132390941 /nfs/dbraw/zinc/39/09/41/132390941.db2.gz ZYCBFMMTSHWTSK-UHFFFAOYSA-N 0 0 331.510 4.001 50 0 EIAARN Cc1cccc(CN2CCN(c3ccc(C(C)C)cc3)C(=O)[C@@H]2C)c1 ZINC000037275548 132393347 /nfs/dbraw/zinc/39/33/47/132393347.db2.gz QGFBKNCAUHVXPG-SFHVURJKSA-N 0 0 336.479 4.356 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 ZINC000040097823 132398309 /nfs/dbraw/zinc/39/83/09/132398309.db2.gz UVLSKGKTVCECBE-UHFFFAOYSA-N 0 0 349.356 4.060 50 0 EIAARN OCC1(CCc2ccccc2)CCN(c2ccc3ccccc3n2)CC1 ZINC000067434223 132811708 /nfs/dbraw/zinc/81/17/08/132811708.db2.gz NCTUKXBMYSTPHF-UHFFFAOYSA-N 0 0 346.474 4.447 50 0 EIAARN CSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002879945 135658708 /nfs/dbraw/zinc/65/87/08/135658708.db2.gz NQJZRCYVUAQNMJ-UHFFFAOYSA-N 0 0 346.883 4.024 50 0 EIAARN Cc1ccc(NC(=S)N2C[C@H](O)Cc3ccc4ccccc4c32)cc1 ZINC000006507976 135674713 /nfs/dbraw/zinc/67/47/13/135674713.db2.gz HKHMEUIONZGRLU-GOSISDBHSA-N 0 0 348.471 4.269 50 0 EIAARN CC[C@@H]1CN(C(=O)Nc2cc(F)ccc2F)c2cc(C)ccc2O1 ZINC000006843417 135677747 /nfs/dbraw/zinc/67/77/47/135677747.db2.gz AAIRGPXKHHMIHQ-CYBMUJFWSA-N 0 0 332.350 4.483 50 0 EIAARN O=C(CNc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000029901728 135745035 /nfs/dbraw/zinc/74/50/35/135745035.db2.gz HBCGTNQYYKVAQK-UHFFFAOYSA-N 0 0 343.858 4.381 50 0 EIAARN CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1OC(F)F ZINC000027358667 262502331 /nfs/dbraw/zinc/50/23/31/262502331.db2.gz NDAOSEDJTFDCDL-XJKSGUPXSA-N 0 0 349.377 4.323 50 0 EIAARN CC(C)n1cc(CNc2nnc(Cc3ccc4ccccc4c3)o2)cn1 ZINC000095992322 262534914 /nfs/dbraw/zinc/53/49/14/262534914.db2.gz BOLXWTFVYZOMGR-UHFFFAOYSA-N 0 0 347.422 4.203 50 0 EIAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2cccs2)cc1 ZINC000017909800 518841383 /nfs/dbraw/zinc/84/13/83/518841383.db2.gz GRFUICFFDNMTAP-UHFFFAOYSA-N 0 0 346.452 4.068 50 0 EIAARN O=C(Nc1ccccc1OC(F)F)N1CCC(c2ccncc2)CC1 ZINC000191781179 534399414 /nfs/dbraw/zinc/39/94/14/534399414.db2.gz WGMCGHFQYNPYST-UHFFFAOYSA-N 0 0 347.365 4.095 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)N2CCSC(C)(C)C2)c1C ZINC000083559959 519879411 /nfs/dbraw/zinc/87/94/11/519879411.db2.gz HPTVWAHVMCECRT-UHFFFAOYSA-N 0 0 349.500 4.093 50 0 EIAARN Cc1cccc(Cl)c1NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000133372292 534732707 /nfs/dbraw/zinc/73/27/07/534732707.db2.gz PHOARYGXQWONMG-AWEZNQCLSA-N 0 0 336.844 4.315 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@H]4[C@H]3C[C@H](O)[C@H]2C1 ZINC000257345813 534779801 /nfs/dbraw/zinc/77/98/01/534779801.db2.gz JPOWGZUAPKSQIG-URZBOBFWSA-N 0 0 334.500 4.322 50 0 EIAARN O=C(CC/C=C\c1ccccc1)Nc1ccccc1N1CCOC1=O ZINC000096413806 526326011 /nfs/dbraw/zinc/32/60/11/526326011.db2.gz UTLOHPNUISLAGV-WMZJFQQLSA-N 0 0 336.391 4.075 50 0 EIAARN CC(C)(C)c1cc(COC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)no1 ZINC000225855472 535106883 /nfs/dbraw/zinc/10/68/83/535106883.db2.gz BTFOPDJGCRJGCN-RYUDHWBXSA-N 0 0 335.350 4.097 50 0 EIAARN CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2 ZINC000004908226 535136330 /nfs/dbraw/zinc/13/63/30/535136330.db2.gz QGEFOFVNLWRVHN-UHFFFAOYSA-N 0 0 340.492 4.247 50 0 EIAARN CC(C)(C)c1cnc(C2CCN(C(=O)Nc3ccccc3)CC2)o1 ZINC000227163752 535138624 /nfs/dbraw/zinc/13/86/24/535138624.db2.gz DSOPSUNNAUQGSI-UHFFFAOYSA-N 0 0 327.428 4.384 50 0 EIAARN COC(=O)c1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)cc1 ZINC000006876955 536754511 /nfs/dbraw/zinc/75/45/11/536754511.db2.gz LTKWUQWODMBJCP-GFCCVEGCSA-N 0 0 342.420 4.006 50 0 EIAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016780135 563823649 /nfs/dbraw/zinc/82/36/49/563823649.db2.gz QYVLOQRVWOGRHO-SNVBAGLBSA-N 0 0 330.236 4.033 50 0 EIAARN Cc1cccc(C2=N/C(=C/c3ccc(Br)s3)C(=O)O2)c1 ZINC000000477347 564012714 /nfs/dbraw/zinc/01/27/14/564012714.db2.gz FFPMOGQOPKUHAT-XYOKQWHBSA-N 0 0 348.221 4.164 50 0 EIAARN Fc1cc(Br)c(Br)cc1OC(F)(F)F ZINC000263623443 564056461 /nfs/dbraw/zinc/05/64/61/564056461.db2.gz HMYNELQAMXOEDU-UHFFFAOYSA-N 0 0 337.892 4.249 50 0 EIAARN Cc1cccnc1NC(=O)c1cc(Br)ccc1Cl ZINC000008747112 564167160 /nfs/dbraw/zinc/16/71/60/564167160.db2.gz REJBLDOXXFDZNJ-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN COc1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000000260887 563268017 /nfs/dbraw/zinc/26/80/17/563268017.db2.gz IWNWEZOYGAMJBI-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN CCCCc1ccc(C(=O)Nc2ccc(Br)cn2)cc1 ZINC000002228292 563427327 /nfs/dbraw/zinc/42/73/27/563427327.db2.gz JTYCYMIEOUDDSQ-UHFFFAOYSA-N 0 0 333.229 4.439 50 0 EIAARN CC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000000028119 563211608 /nfs/dbraw/zinc/21/16/08/563211608.db2.gz YYUQRARGQOXJPX-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(Br)c1 ZINC000000038440 563212282 /nfs/dbraw/zinc/21/22/82/563212282.db2.gz ALEJPVUAAHBPCA-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCC2 ZINC000000064396 563214164 /nfs/dbraw/zinc/21/41/64/563214164.db2.gz OREHHZRQOREYNN-UHFFFAOYSA-N 0 0 343.448 4.364 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCCC3)cc12 ZINC000000067113 563214368 /nfs/dbraw/zinc/21/43/68/563214368.db2.gz VKDOYLBYHSWAQQ-UHFFFAOYSA-N 0 0 325.437 4.022 50 0 EIAARN Cc1c(Cl)cccc1N1C(=S)N=NC1CCc1ccc(O)cc1 ZINC000000067493 563214431 /nfs/dbraw/zinc/21/44/31/563214431.db2.gz SXGCNBXISLXYKJ-UHFFFAOYSA-N 0 0 345.855 4.009 50 0 EIAARN CN(C)c1ccc(NC(=S)NCc2csc3ccccc23)cc1 ZINC000000069425 563214841 /nfs/dbraw/zinc/21/48/41/563214841.db2.gz UUWFNRKOSQFQGM-UHFFFAOYSA-N 0 0 341.505 4.454 50 0 EIAARN CCOC(=O)c1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1 ZINC000000068555 563214877 /nfs/dbraw/zinc/21/48/77/563214877.db2.gz MHPIVQZZFBEHAM-UHFFFAOYSA-N 0 0 333.391 4.372 50 0 EIAARN Cc1cccc(C)c1-n1nnnc1SCc1ccc(Cl)cc1 ZINC000000072628 563215788 /nfs/dbraw/zinc/21/57/88/563215788.db2.gz QLNZMQJSIUUDQU-UHFFFAOYSA-N 0 0 330.844 4.225 50 0 EIAARN Cc1ccccc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000000077648 563217611 /nfs/dbraw/zinc/21/76/11/563217611.db2.gz RAOHMMCGBIBDFR-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN COc1ccc(OC)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000082269 563219035 /nfs/dbraw/zinc/21/90/35/563219035.db2.gz OMUMGPUBJZQKFV-UHFFFAOYSA-N 0 0 340.301 4.367 50 0 EIAARN CC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000000083447 563219323 /nfs/dbraw/zinc/21/93/23/563219323.db2.gz WKJMGIQWSDKLNA-KRWDZBQOSA-N 0 0 349.217 4.061 50 0 EIAARN COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000000087013 563220728 /nfs/dbraw/zinc/22/07/28/563220728.db2.gz NRERDDJDCLQSIQ-UHFFFAOYSA-N 0 0 331.165 4.231 50 0 biogenic EIAARN Cc1c(C)n(C(=O)CSc2nc(C)cc(C)n2)c2ccccc12 ZINC000000087786 563221104 /nfs/dbraw/zinc/22/11/04/563221104.db2.gz UXHVPGZRADVSDN-UHFFFAOYSA-N 0 0 325.437 4.097 50 0 EIAARN COc1ccc(-c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000000105602 563227696 /nfs/dbraw/zinc/22/76/96/563227696.db2.gz DHDKPQPHXKPJAV-UHFFFAOYSA-N 0 0 325.389 4.257 50 0 EIAARN O=S(=O)(c1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1 ZINC000000106996 563228404 /nfs/dbraw/zinc/22/84/04/563228404.db2.gz MHIBQDSGTITVMY-UHFFFAOYSA-N 0 0 344.244 4.436 50 0 EIAARN CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc21 ZINC000000107719 563228606 /nfs/dbraw/zinc/22/86/06/563228606.db2.gz UARXAFLQIIVAOI-UHFFFAOYSA-N 0 0 337.375 4.242 50 0 EIAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1 ZINC000000116850 563232084 /nfs/dbraw/zinc/23/20/84/563232084.db2.gz KVZOXOQWBADCRN-UHFFFAOYSA-N 0 0 328.371 4.067 50 0 EIAARN CC(C)(C)c1cc2ncnc(NCc3ccc4c(c3)OCO4)c2s1 ZINC000000118368 563233423 /nfs/dbraw/zinc/23/34/23/563233423.db2.gz SIRGAFJGGUCALP-UHFFFAOYSA-N 0 0 341.436 4.330 50 0 EIAARN Cc1cccc(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)c1C ZINC000000121771 563234735 /nfs/dbraw/zinc/23/47/35/563234735.db2.gz KSDPTIFBPFCBEW-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C)ccc3C)C2=O)cc1 ZINC000000121635 563234767 /nfs/dbraw/zinc/23/47/67/563234767.db2.gz BJTVQOPRSPIPKM-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN COc1ccccc1CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000000121843 563234883 /nfs/dbraw/zinc/23/48/83/563234883.db2.gz KDDLEVHRDBZJFX-UHFFFAOYSA-N 0 0 347.414 4.455 50 0 EIAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000000127346 563236930 /nfs/dbraw/zinc/23/69/30/563236930.db2.gz LZJWJODISJLFFH-UHFFFAOYSA-N 0 0 342.398 4.451 50 0 EIAARN O=C1COc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2N1 ZINC000000132060 563238805 /nfs/dbraw/zinc/23/88/05/563238805.db2.gz YDAFBDGKKWVEJY-UHFFFAOYSA-N 0 0 342.807 4.461 50 0 EIAARN CC(C)COC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000137285 563240752 /nfs/dbraw/zinc/24/07/52/563240752.db2.gz PLRYWHYPOXAZOA-UHFFFAOYSA-N 0 0 325.408 4.071 50 0 EIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)c1ccccc1[O-] ZINC000000140774 563241916 /nfs/dbraw/zinc/24/19/16/563241916.db2.gz CUGPXGSVKBCMIZ-UHFFFAOYSA-N 0 0 331.730 4.379 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc2ccccc2oc1=O ZINC000000145427 563244150 /nfs/dbraw/zinc/24/41/50/563244150.db2.gz URFJUDWTWIRXJJ-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN COC(=O)c1sccc1NC(=O)Nc1cc(C)oc1C(F)(F)F ZINC000000148068 563244837 /nfs/dbraw/zinc/24/48/37/563244837.db2.gz VZZBUZOOERLERA-UHFFFAOYSA-N 0 0 348.302 4.099 50 0 EIAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccccc1)c1cccnc1 ZINC000000150945 563246105 /nfs/dbraw/zinc/24/61/05/563246105.db2.gz XEOJJCJRRHRQID-UHFFFAOYSA-N 0 0 343.338 4.074 50 0 EIAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1 ZINC000000154960 563247384 /nfs/dbraw/zinc/24/73/84/563247384.db2.gz IFTMWRBOCNIRFR-UHFFFAOYSA-N 0 0 326.787 4.385 50 0 EIAARN Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000000154637 563247394 /nfs/dbraw/zinc/24/73/94/563247394.db2.gz AKOYDZUCVDUCOH-UHFFFAOYSA-N 0 0 326.787 4.478 50 0 EIAARN Cc1onc(-c2ccccc2)c1NC(=O)Nc1nnc(C2CC2)s1 ZINC000000155073 563247447 /nfs/dbraw/zinc/24/74/47/563247447.db2.gz NLZGELVWBNSFRN-UHFFFAOYSA-N 0 0 341.396 4.023 50 0 EIAARN CCc1ccccc1CSc1n[nH]c(=O)n1[C@@H](C)c1ccccc1 ZINC000000156393 563247771 /nfs/dbraw/zinc/24/77/71/563247771.db2.gz LIPNXXPHXMOLAK-AWEZNQCLSA-N 0 0 339.464 4.448 50 0 EIAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000000155590 563247815 /nfs/dbraw/zinc/24/78/15/563247815.db2.gz ZQDHAFLEFHSSFK-UHFFFAOYSA-N 0 0 349.234 4.075 50 0 EIAARN Clc1ccccc1CSc1nnc2c3ccccc3[nH]c2n1 ZINC000000159756 563248988 /nfs/dbraw/zinc/24/89/88/563248988.db2.gz BUWZNQAPWHNMKF-UHFFFAOYSA-N 0 0 326.812 4.452 50 0 EIAARN Cc1nn(-c2ccccc2)nc1C(=O)Oc1c(Cl)cccc1Cl ZINC000000166237 563249557 /nfs/dbraw/zinc/24/95/57/563249557.db2.gz NFLQKQNDHRRNNR-UHFFFAOYSA-N 0 0 348.189 4.102 50 0 EIAARN Cc1ccnc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c1 ZINC000000170871 563251300 /nfs/dbraw/zinc/25/13/00/563251300.db2.gz NAYPSEJFUQLBKL-UHFFFAOYSA-N 0 0 325.195 4.023 50 0 EIAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccs1 ZINC000000170904 563251319 /nfs/dbraw/zinc/25/13/19/563251319.db2.gz XEBRNERQSCQYKA-UHFFFAOYSA-N 0 0 334.404 4.043 50 0 EIAARN CC1(C)Cc2nc(NC(=O)c3ccccc3Cl)sc2C(=O)C1 ZINC000000181810 563254479 /nfs/dbraw/zinc/25/44/79/563254479.db2.gz BZCTWFLKAOSCSG-UHFFFAOYSA-N 0 0 334.828 4.204 50 0 EIAARN CCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000188878 563256020 /nfs/dbraw/zinc/25/60/20/563256020.db2.gz PMJWJSGUSGWHGJ-UHFFFAOYSA-N 0 0 330.236 4.357 50 0 EIAARN CCCC(=O)NCCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000000201034 563258728 /nfs/dbraw/zinc/25/87/28/563258728.db2.gz XUBPYAJRGUTUJR-UHFFFAOYSA-N 0 0 349.478 4.160 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)C1c2ccccc2Oc2ccccc21 ZINC000000204945 563259361 /nfs/dbraw/zinc/25/93/61/563259361.db2.gz RKKQJMHHZIWCOL-UHFFFAOYSA-N 0 0 345.354 4.292 50 0 EIAARN COc1ccc([C@@H]2NN=C3c4[nH]c5ccc(C)cc5c4CC[C@@H]32)cc1 ZINC000000211643 563261142 /nfs/dbraw/zinc/26/11/42/563261142.db2.gz OEQNJRVAURILHT-APWZRJJASA-N 0 0 331.419 4.096 50 0 EIAARN COc1ccccc1/C=C/CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000000216821 563261827 /nfs/dbraw/zinc/26/18/27/563261827.db2.gz HIJMIDGMMRPGDS-GQCTYLIASA-N 0 0 342.870 4.184 50 0 EIAARN CCOC(=O)c1sc2ncnc(Nc3cccc(C)c3)c2c1C ZINC000000215343 563261912 /nfs/dbraw/zinc/26/19/12/563261912.db2.gz IWWLHVMFJFQEHL-UHFFFAOYSA-N 0 0 327.409 4.228 50 0 EIAARN Cn1c2ccccc2nc1[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000000233910 563263819 /nfs/dbraw/zinc/26/38/19/563263819.db2.gz GUWSKXXRBBBLSP-NRFANRHFSA-N 0 0 344.414 4.234 50 0 EIAARN CCN(CC)C(=O)c1ccc(Nc2nnc(C)c3ccccc32)cc1 ZINC000000238399 563264492 /nfs/dbraw/zinc/26/44/92/563264492.db2.gz UJCHLWQIQBYYAO-UHFFFAOYSA-N 0 0 334.423 4.164 50 0 EIAARN CCN(CC)c1ncnc2scc([C@H]3COc4ccccc4O3)c21 ZINC000000249394 563266499 /nfs/dbraw/zinc/26/64/99/563266499.db2.gz LUURBQJWILSPPZ-OAHLLOKOSA-N 0 0 341.436 4.050 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cc(C)ccn2)cc1 ZINC000000257001 563267406 /nfs/dbraw/zinc/26/74/06/563267406.db2.gz HWFDFXUWFXLMAZ-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN COc1ccc2oc(-c3cccc(Br)c3)cc(=O)c2c1 ZINC000000265301 563268860 /nfs/dbraw/zinc/26/88/60/563268860.db2.gz WDYCTFXBQOLGLK-UHFFFAOYSA-N 0 0 331.165 4.231 50 0 EIAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1C ZINC000000274052 563270270 /nfs/dbraw/zinc/27/02/70/563270270.db2.gz OPZAYEHXPIMYED-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN Cc1ccc(C[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2C)cc1 ZINC000000281417 563271877 /nfs/dbraw/zinc/27/18/77/563271877.db2.gz HGVYNGSVGNPDNN-CJNGLKHVSA-N 0 0 341.838 4.325 50 0 EIAARN COC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000000282913 563272224 /nfs/dbraw/zinc/27/22/24/563272224.db2.gz NCDKDDHKNSDPOA-UHFFFAOYSA-N 0 0 331.371 4.452 50 0 EIAARN CCC(C)(c1ccc(C(=O)OC)s1)c1ccc(C(=O)OC)s1 ZINC000000286541 563272993 /nfs/dbraw/zinc/27/29/93/563272993.db2.gz DXEOUNBMNBYGPG-UHFFFAOYSA-N 0 0 338.450 4.099 50 0 EIAARN Cc1ccc(C(C)(C)C)c(OCCn2cnc3ccccc3c2=O)c1 ZINC000000312165 563281360 /nfs/dbraw/zinc/28/13/60/563281360.db2.gz JYOOLFZOQPTTEH-UHFFFAOYSA-N 0 0 336.435 4.081 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000000315677 563282721 /nfs/dbraw/zinc/28/27/21/563282721.db2.gz BGAFPBJDNFBZGT-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000000317371 563283416 /nfs/dbraw/zinc/28/34/16/563283416.db2.gz CAZQIIRJPKYNCZ-UHFFFAOYSA-N 0 0 348.402 4.206 50 0 EIAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1cccc2ccccc21 ZINC000000336052 563285234 /nfs/dbraw/zinc/28/52/34/563285234.db2.gz WWDGSIGHERLNOQ-UHFFFAOYSA-N 0 0 349.386 4.069 50 0 EIAARN CSc1nnc2c(n1)O[C@@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 ZINC000000335931 563285277 /nfs/dbraw/zinc/28/52/77/563285277.db2.gz KDHXGZJLEYCMTG-LRDDRELGSA-N 0 0 340.452 4.137 50 0 EIAARN Cn1c2ccccc2c2nnc(SCc3ccccc3Cl)nc21 ZINC000000340065 563285949 /nfs/dbraw/zinc/28/59/49/563285949.db2.gz LHJCEEBGLTXGPA-UHFFFAOYSA-N 0 0 340.839 4.462 50 0 EIAARN COC(=O)c1c(-c2ccccc2)[nH]c(C2CCCCC2)c1C(=O)OC ZINC000000348056 563288353 /nfs/dbraw/zinc/28/83/53/563288353.db2.gz FPVVZUZEVORSFU-UHFFFAOYSA-N 0 0 341.407 4.303 50 0 EIAARN CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1Cl ZINC000000350077 563288993 /nfs/dbraw/zinc/28/89/93/563288993.db2.gz JGYAJTIDIBPQBM-UHFFFAOYSA-N 0 0 329.812 4.009 50 0 EIAARN O=c1oc(-c2ccc(Br)cc2)nc2sc3c(c21)CCC3 ZINC000000349779 563289034 /nfs/dbraw/zinc/28/90/34/563289034.db2.gz GNVPLOITAUTUEE-UHFFFAOYSA-N 0 0 348.221 4.168 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000000356400 563291156 /nfs/dbraw/zinc/29/11/56/563291156.db2.gz PQRWHFANNATVCD-UHFFFAOYSA-N 0 0 345.398 4.306 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000000358630 563291819 /nfs/dbraw/zinc/29/18/19/563291819.db2.gz MGWAYQGFHZALKW-UHFFFAOYSA-N 0 0 332.197 4.212 50 0 EIAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000359063 563292249 /nfs/dbraw/zinc/29/22/49/563292249.db2.gz ZGGURFOFDBUFAE-CQSZACIVSA-N 0 0 325.408 4.420 50 0 EIAARN CCN(C(=S)NC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000000359040 563292269 /nfs/dbraw/zinc/29/22/69/563292269.db2.gz SKVYVBAJBQORHS-UHFFFAOYSA-N 0 0 348.471 4.310 50 0 EIAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(F)cc2F)cc1 ZINC000000359662 563292572 /nfs/dbraw/zinc/29/25/72/563292572.db2.gz SMBFIWJNTWVGSU-UHFFFAOYSA-N 0 0 348.418 4.389 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000364303 563295396 /nfs/dbraw/zinc/29/53/96/563295396.db2.gz UJDKAONZITWZBU-JTQLQIEISA-N 0 0 332.812 4.356 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)c1ccccc1Br ZINC000000366740 563296675 /nfs/dbraw/zinc/29/66/75/563296675.db2.gz OGSZPOQVIGFCJT-UHFFFAOYSA-N 0 0 337.242 4.037 50 0 EIAARN CCc1c(C)sc(NC(=O)c2ccccc2)c1C(=O)OC(C)C ZINC000000368907 563297301 /nfs/dbraw/zinc/29/73/01/563297301.db2.gz SKFUJJRQVBYOSI-UHFFFAOYSA-N 0 0 331.437 4.436 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)Nc2c(C)cccc2CC)cc1 ZINC000000381858 563300045 /nfs/dbraw/zinc/30/00/45/563300045.db2.gz DFGGJVUEOYJQKW-UHFFFAOYSA-N 0 0 325.408 4.168 50 0 EIAARN Cc1ccc(NC[C@H](O)Cn2c3ccccc3c3c2CCCC3)cc1 ZINC000000381911 563300053 /nfs/dbraw/zinc/30/00/53/563300053.db2.gz XIDFVJFDFPMONH-SFHVURJKSA-N 0 0 334.463 4.302 50 0 EIAARN O=C1N2CCCN2[C@@H](c2ccccc2)N1c1cccc2ccccc21 ZINC000000382235 563300287 /nfs/dbraw/zinc/30/02/87/563300287.db2.gz IRDJPCKOSDLCKU-HXUWFJFHSA-N 0 0 329.403 4.401 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)c1C ZINC000000384612 563301312 /nfs/dbraw/zinc/30/13/12/563301312.db2.gz METIFLDLLORJFC-UHFFFAOYSA-N 0 0 339.844 4.075 50 0 EIAARN COc1cc(OC)c(NC(=O)Nc2ccc(F)cc2F)cc1Cl ZINC000000397769 563305117 /nfs/dbraw/zinc/30/51/17/563305117.db2.gz PXAHWORRZPGWSL-UHFFFAOYSA-N 0 0 342.729 4.279 50 0 EIAARN O=c1c(-c2ccc(F)cc2)c(-c2cccs2)nc2sccn21 ZINC000000407714 563307338 /nfs/dbraw/zinc/30/73/38/563307338.db2.gz CGYUXBPZPAUQHF-UHFFFAOYSA-N 0 0 328.393 4.291 50 0 EIAARN COc1cccc(F)c1C(=O)Nc1c(C)cccc1Br ZINC000000409508 563308064 /nfs/dbraw/zinc/30/80/64/563308064.db2.gz GYIORDWYMUWXSA-UHFFFAOYSA-N 0 0 338.176 4.158 50 0 EIAARN COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000000427718 563310806 /nfs/dbraw/zinc/31/08/06/563310806.db2.gz GIEPUPNZIWNCPV-AWEZNQCLSA-N 0 0 339.435 4.320 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)NCCc1cccc(Cl)c1 ZINC000000432942 563311457 /nfs/dbraw/zinc/31/14/57/563311457.db2.gz NCMWYHLBSQQUEG-UHFFFAOYSA-N 0 0 340.810 4.276 50 0 EIAARN CCc1c(C)sc(NC(=O)/C=C/c2ccccc2Cl)c1C(N)=O ZINC000000433831 563311939 /nfs/dbraw/zinc/31/19/39/563311939.db2.gz SVJKEBBSJMBLKA-CMDGGOBGSA-N 0 0 348.855 4.023 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000000434614 563312618 /nfs/dbraw/zinc/31/26/18/563312618.db2.gz NPEZADSSSVGIEG-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000000434521 563312657 /nfs/dbraw/zinc/31/26/57/563312657.db2.gz IRGIXRWDCMSOGU-UHFFFAOYSA-N 0 0 338.190 4.422 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000000443101 563315138 /nfs/dbraw/zinc/31/51/38/563315138.db2.gz VWICMCADAFLCBH-UHFFFAOYSA-N 0 0 349.386 4.034 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000000443832 563315678 /nfs/dbraw/zinc/31/56/78/563315678.db2.gz QLBZWNIWZRCLKC-UHFFFAOYSA-N 0 0 332.831 4.447 50 0 EIAARN CCCC(=O)Nc1ccc(NC(=O)c2cccc(OCC)c2)cc1 ZINC000000444589 563316337 /nfs/dbraw/zinc/31/63/37/563316337.db2.gz HLELZPABNOSUFU-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN O=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000000445488 563317024 /nfs/dbraw/zinc/31/70/24/563317024.db2.gz YPXNXBBOBLTDCL-UHFFFAOYSA-N 0 0 327.181 4.114 50 0 EIAARN CCCC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OCC ZINC000000445798 563317098 /nfs/dbraw/zinc/31/70/98/563317098.db2.gz GCBSZGUCSHDCEI-UHFFFAOYSA-N 0 0 347.436 4.339 50 0 EIAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000000445828 563317104 /nfs/dbraw/zinc/31/71/04/563317104.db2.gz LNYRMHLHNXNZLL-ZROIWOOFSA-N 0 0 335.256 4.189 50 0 EIAARN C[C@H](NC(=O)c1cccc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000000450922 563320012 /nfs/dbraw/zinc/32/00/12/563320012.db2.gz QYBJXYNRWPYONB-AWEZNQCLSA-N 0 0 333.387 4.102 50 0 EIAARN Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000000454559 563322962 /nfs/dbraw/zinc/32/29/62/563322962.db2.gz FGKLPVPGSCDQOL-UHFFFAOYSA-N 0 0 342.464 4.217 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 ZINC000000455631 563323934 /nfs/dbraw/zinc/32/39/34/563323934.db2.gz WFPGGEDQMBPXIZ-UHFFFAOYSA-N 0 0 343.386 4.262 50 0 EIAARN Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000456618 563324252 /nfs/dbraw/zinc/32/42/52/563324252.db2.gz FHHYTZRMCSGONZ-UHFFFAOYSA-N 0 0 342.464 4.125 50 0 EIAARN COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc21 ZINC000000457380 563324895 /nfs/dbraw/zinc/32/48/95/563324895.db2.gz CPMJNVKBLVPGNQ-UHFFFAOYSA-N 0 0 327.767 4.350 50 0 EIAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cn1 ZINC000000459826 563325984 /nfs/dbraw/zinc/32/59/84/563325984.db2.gz CHTYRCURYVSTJO-UHFFFAOYSA-N 0 0 345.613 4.368 50 0 EIAARN COc1ccccc1/C=C/C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000460428 563326079 /nfs/dbraw/zinc/32/60/79/563326079.db2.gz FQOFAQHSSRXESE-VAWYXSNFSA-N 0 0 335.447 4.190 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000000465141 563328056 /nfs/dbraw/zinc/32/80/56/563328056.db2.gz PKWAZRHFLNBZPH-NHAQELONSA-N 0 0 328.437 4.320 50 0 EIAARN Clc1ccc(CSc2nnnn2-c2ccccc2)cc1Cl ZINC000000468535 563329706 /nfs/dbraw/zinc/32/97/06/563329706.db2.gz HGZBMWHXOJJEBX-UHFFFAOYSA-N 0 0 337.235 4.261 50 0 EIAARN COc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000000470272 563330807 /nfs/dbraw/zinc/33/08/07/563330807.db2.gz BOVQUISCLQUJAQ-UHFFFAOYSA-N 0 0 333.387 4.380 50 0 EIAARN COc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)c1 ZINC000000476179 563334390 /nfs/dbraw/zinc/33/43/90/563334390.db2.gz BAFSFWKSCRTVJP-UHFFFAOYSA-N 0 0 347.436 4.191 50 0 EIAARN Cc1cc(OCc2ccc(F)cc2F)c2c3c(c(=O)oc2c1)CCC3 ZINC000000477289 563335050 /nfs/dbraw/zinc/33/50/50/563335050.db2.gz FQAUVBFTWIJOOQ-UHFFFAOYSA-N 0 0 342.341 4.447 50 0 EIAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@@H]1CCCO1 ZINC000000483938 563337756 /nfs/dbraw/zinc/33/77/56/563337756.db2.gz LYLIYECAEZMBJK-LBPRGKRZSA-N 0 0 343.235 4.234 50 0 EIAARN CCOC(=O)Nc1ccc2c(c1)N(C(=O)OC)c1ccccc1CC2 ZINC000000499852 563339100 /nfs/dbraw/zinc/33/91/00/563339100.db2.gz DVDVCFMNPGWLAQ-UHFFFAOYSA-N 0 0 340.379 4.258 50 0 biogenic EIAARN Nc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccc(F)cc1 ZINC000000499331 563339103 /nfs/dbraw/zinc/33/91/03/563339103.db2.gz WWGPTHOMFHDEEC-UHFFFAOYSA-N 0 0 347.802 4.492 50 0 in-vivo EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000000514108 563339748 /nfs/dbraw/zinc/33/97/48/563339748.db2.gz PBQIUDHIKKPIPP-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000000514186 563340008 /nfs/dbraw/zinc/34/00/08/563340008.db2.gz JLXJJERXHHGQKH-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CCOc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn32)c1 ZINC000000527634 563341294 /nfs/dbraw/zinc/34/12/94/563341294.db2.gz ZSUYYEWACNYSEY-UHFFFAOYSA-N 0 0 336.420 4.227 50 0 EIAARN Cc1ccc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)cc1 ZINC000000527636 563341742 /nfs/dbraw/zinc/34/17/42/563341742.db2.gz OBBNMGYBMQRSHJ-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN Cc1sc2ncnc(SCc3nc4ccccc4[nH]3)c2c1C ZINC000000529999 563342454 /nfs/dbraw/zinc/34/24/54/563342454.db2.gz OIHKLCXEMYNLMV-UHFFFAOYSA-N 0 0 326.450 4.477 50 0 EIAARN Cn1c(SCc2cccc3ccccc32)nnc1-c1ccccn1 ZINC000000531650 563342760 /nfs/dbraw/zinc/34/27/60/563342760.db2.gz DZXRIESUZAVBKG-UHFFFAOYSA-N 0 0 332.432 4.323 50 0 EIAARN Cc1ccccc1-c1nn2c(nnc2-c2ccc(Cl)cc2)s1 ZINC000000540799 563343758 /nfs/dbraw/zinc/34/37/58/563343758.db2.gz PQYXUMMZZCMYAW-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN COc1ccccc1[C@H]1Nc2ccccc2[C@H](OC(C)=O)C1(C)C ZINC000000576534 563350783 /nfs/dbraw/zinc/35/07/83/563350783.db2.gz LLXWSMOOHBWXTE-MOPGFXCFSA-N 0 0 325.408 4.492 50 0 EIAARN O=C(OCc1ccc(Cl)cc1Cl)c1cc2ccccc2oc1=O ZINC000000578981 563351039 /nfs/dbraw/zinc/35/10/39/563351039.db2.gz LGSCCSYHJUBEDB-UHFFFAOYSA-N 0 0 349.169 4.457 50 0 EIAARN COc1ccc(C)cc1N1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000000610207 563353528 /nfs/dbraw/zinc/35/35/28/563353528.db2.gz MBNCAFGTHANOEF-UHFFFAOYSA-N 0 0 331.828 4.193 50 0 EIAARN CC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2OC(F)F)cc1 ZINC000000611898 563354719 /nfs/dbraw/zinc/35/47/19/563354719.db2.gz BIUFMYGQLCCFBN-UHFFFAOYSA-N 0 0 334.322 4.443 50 0 EIAARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cccc(Cl)c1 ZINC000000611993 563355039 /nfs/dbraw/zinc/35/50/39/563355039.db2.gz LWTQFQXTPGCSHD-JTQLQIEISA-N 0 0 331.828 4.336 50 0 EIAARN CSc1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000612156 563355288 /nfs/dbraw/zinc/35/52/88/563355288.db2.gz HQHPLEZWJACMPL-UHFFFAOYSA-N 0 0 346.496 4.045 50 0 EIAARN CSc1ccccc1NC(=O)[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000000614591 563357324 /nfs/dbraw/zinc/35/73/24/563357324.db2.gz KOXOSXCCJMDFCZ-OAHLLOKOSA-N 0 0 346.839 4.194 50 0 EIAARN COC(=O)[C@@H](C(=O)Nc1cccc(Cl)c1C)C1CCCCCC1 ZINC000000616291 563358514 /nfs/dbraw/zinc/35/85/14/563358514.db2.gz DRSJUWFJYSNEFF-MRXNPFEDSA-N 0 0 337.847 4.347 50 0 EIAARN COC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000000616724 563358706 /nfs/dbraw/zinc/35/87/06/563358706.db2.gz NZDAYLBMXKESTC-UHFFFAOYSA-N 0 0 325.389 4.274 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000000617534 563359446 /nfs/dbraw/zinc/35/94/46/563359446.db2.gz LBEAVPKMIUYSRK-HXUWFJFHSA-N 0 0 346.430 4.472 50 0 EIAARN COc1cc(-c2nnc(-c3ccccc3Cl)o2)cc(OC)c1OC ZINC000000784503 563363528 /nfs/dbraw/zinc/36/35/28/563363528.db2.gz SGOMYAMUJOJAHZ-UHFFFAOYSA-N 0 0 346.770 4.083 50 0 EIAARN O=C(NC1CCCC1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000000815128 563364135 /nfs/dbraw/zinc/36/41/35/563364135.db2.gz INGNTKMAQQRVRF-UHFFFAOYSA-N 0 0 325.195 4.321 50 0 EIAARN O=C(NCc1ccco1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000000815124 563364143 /nfs/dbraw/zinc/36/41/43/563364143.db2.gz MNCADKJWSNZGNG-UHFFFAOYSA-N 0 0 337.162 4.171 50 0 EIAARN COc1cc2c(cc1OC)[C@H](c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000000816277 563364458 /nfs/dbraw/zinc/36/44/58/563364458.db2.gz PMHMUDINDCCSAE-HNNXBMFYSA-N 0 0 325.408 4.301 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)cc(C)c1 ZINC000000858685 563364866 /nfs/dbraw/zinc/36/48/66/563364866.db2.gz VHSDESNVEJMAIO-UHFFFAOYSA-N 0 0 348.855 4.092 50 0 EIAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)c1 ZINC000000859806 563365579 /nfs/dbraw/zinc/36/55/79/563365579.db2.gz FGWIPQAYUVRRCY-UHFFFAOYSA-N 0 0 348.855 4.174 50 0 EIAARN Cc1ccccc1-n1cccc1/C=C1/SC(=O)N(C(C)C)C1=O ZINC000000981452 563367069 /nfs/dbraw/zinc/36/70/69/563367069.db2.gz YZGVCOHPTFOVJU-LFIBNONCSA-N 0 0 326.421 4.230 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)o1 ZINC000000997480 563367391 /nfs/dbraw/zinc/36/73/91/563367391.db2.gz FPNSRMOJAIQDLY-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN COc1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000001001778 563367743 /nfs/dbraw/zinc/36/77/43/563367743.db2.gz RAJPQKSSMIZTPJ-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN Clc1ccc(Cc2nnc3sc(-c4cccs4)nn23)cc1 ZINC000001018200 563368695 /nfs/dbraw/zinc/36/86/95/563368695.db2.gz VVUQQUNJMPUCNC-UHFFFAOYSA-N 0 0 332.841 4.159 50 0 EIAARN O=C(Cc1cccs1)Nc1ccc(Br)cc1Cl ZINC000001054135 563370819 /nfs/dbraw/zinc/37/08/19/563370819.db2.gz HBDQCFWCJCQNGN-UHFFFAOYSA-N 0 0 330.634 4.345 50 0 EIAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001054055 563370852 /nfs/dbraw/zinc/37/08/52/563370852.db2.gz NPOZWSXDVZNZGJ-UHFFFAOYSA-N 0 0 331.371 4.258 50 0 EIAARN COc1ccc(CCNC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000001062165 563372189 /nfs/dbraw/zinc/37/21/89/563372189.db2.gz WVJZDAVVHGWKLR-UHFFFAOYSA-N 0 0 339.366 4.067 50 0 EIAARN COc1ccccc1CNC(=O)c1ccccc1CCc1ccccc1 ZINC000001065040 563372498 /nfs/dbraw/zinc/37/24/98/563372498.db2.gz NCSKSVGXEPKURG-UHFFFAOYSA-N 0 0 345.442 4.410 50 0 EIAARN Cn1c(SCC(=O)c2ccccc2)nnc1-c1cc2ccccc2o1 ZINC000001074649 563373581 /nfs/dbraw/zinc/37/35/81/563373581.db2.gz CLZCAEFHRIBNST-UHFFFAOYSA-N 0 0 349.415 4.203 50 0 EIAARN O=C(OCc1ccc(F)cc1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000001115849 563375166 /nfs/dbraw/zinc/37/51/66/563375166.db2.gz KABDJWAOCUDBSI-UHFFFAOYSA-N 0 0 332.330 4.394 50 0 EIAARN Nc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2ccccc2)cs1 ZINC000001384305 563385116 /nfs/dbraw/zinc/38/51/16/563385116.db2.gz XZORJNLMDFHEHK-UHFFFAOYSA-N 0 0 336.395 4.384 50 0 EIAARN CC(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1 ZINC000001397708 563386777 /nfs/dbraw/zinc/38/67/77/563386777.db2.gz NORXSDZZFKXNPM-KRWDZBQOSA-N 0 0 326.827 4.471 50 0 EIAARN Cc1cccc(C2=NNC(=O)[C@@H](c3ccc(Cl)cc3Cl)C2)c1 ZINC000001397717 563387074 /nfs/dbraw/zinc/38/70/74/563387074.db2.gz KVJPLHKJMJEIGB-CQSZACIVSA-N 0 0 333.218 4.310 50 0 EIAARN O=S(=O)(/C=C/c1ccc(Cl)cc1Cl)NCc1cccs1 ZINC000001398395 563387076 /nfs/dbraw/zinc/38/70/76/563387076.db2.gz SCWDLKGUBWNANL-FNORWQNLSA-N 0 0 348.276 4.145 50 0 EIAARN CCc1nnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)s1 ZINC000001773530 563410547 /nfs/dbraw/zinc/41/05/47/563410547.db2.gz NLOAUBGKCNHISE-UHFFFAOYSA-N 0 0 347.484 4.196 50 0 EIAARN CCOc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000001822878 563413742 /nfs/dbraw/zinc/41/37/42/563413742.db2.gz UGBBSFFHIRXSLS-UHFFFAOYSA-N 0 0 345.406 4.017 50 0 EIAARN CCCCOc1ccc(C(=O)OCC(=O)c2ccc(CC)cc2)cc1 ZINC000001839301 563413788 /nfs/dbraw/zinc/41/37/88/563413788.db2.gz CUYVFHWPXGICTO-UHFFFAOYSA-N 0 0 340.419 4.468 50 0 EIAARN CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C ZINC000001925610 563416510 /nfs/dbraw/zinc/41/65/10/563416510.db2.gz VEVAMFAQWOFZGL-UHFFFAOYSA-N 0 0 339.844 4.156 50 0 EIAARN CCOc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccncc2)cc1 ZINC000002127291 563423077 /nfs/dbraw/zinc/42/30/77/563423077.db2.gz UNXYQDJUTSPTDJ-NRFANRHFSA-N 0 0 346.430 4.194 50 0 EIAARN Cc1cccc(-c2nnc3sc(Cc4cccc(Cl)c4)nn32)c1 ZINC000002183279 563425889 /nfs/dbraw/zinc/42/58/89/563425889.db2.gz KVRSRLBTFYBONA-UHFFFAOYSA-N 0 0 340.839 4.405 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c1 ZINC000002360876 563430454 /nfs/dbraw/zinc/43/04/54/563430454.db2.gz LCUNHSKFYWSMJE-UHFFFAOYSA-N 0 0 347.823 4.273 50 0 EIAARN O=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCC1 ZINC000002515621 563437181 /nfs/dbraw/zinc/43/71/81/563437181.db2.gz OGAVKDGYZRFLAX-UHFFFAOYSA-N 0 0 348.215 4.025 50 0 EIAARN CCOC(=O)c1ccccc1C(=O)CCc1ccccc1SC ZINC000002516602 563437271 /nfs/dbraw/zinc/43/72/71/563437271.db2.gz ZNOTZYHGDVVABR-UHFFFAOYSA-N 0 0 328.433 4.401 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 ZINC000002539525 563439852 /nfs/dbraw/zinc/43/98/52/563439852.db2.gz OMBPCKONELMAHW-UHFFFAOYSA-N 0 0 344.867 4.272 50 0 EIAARN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 ZINC000002614190 563444450 /nfs/dbraw/zinc/44/44/50/563444450.db2.gz MFGACVUQAVSPNQ-LLVKDONJSA-N 0 0 342.489 4.294 50 0 EIAARN CCCCCC(=O)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl ZINC000002702029 563446317 /nfs/dbraw/zinc/44/63/17/563446317.db2.gz XWCFDPIVYVFZTA-CYBMUJFWSA-N 0 0 338.662 4.458 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccc3n2)cc1 ZINC000002747505 563448410 /nfs/dbraw/zinc/44/84/10/563448410.db2.gz JBTYLSFKVSPVOY-QGZVFWFLSA-N 0 0 346.430 4.119 50 0 EIAARN COCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21 ZINC000002774428 563450518 /nfs/dbraw/zinc/45/05/18/563450518.db2.gz ZSRZRQGCKNDAHI-UHFFFAOYSA-N 0 0 348.446 4.285 50 0 EIAARN Cc1ccccc1C(=O)NCCSCc1c(F)cccc1Cl ZINC000002815340 563452225 /nfs/dbraw/zinc/45/22/25/563452225.db2.gz YJNDOLCYPUDFRK-UHFFFAOYSA-N 0 0 337.847 4.451 50 0 EIAARN Cc1ccc(SCC(=O)Nc2nnc(-c3cccs3)s2)cc1 ZINC000002846827 563455295 /nfs/dbraw/zinc/45/52/95/563455295.db2.gz JFWLSRIJPSEHSP-UHFFFAOYSA-N 0 0 347.490 4.306 50 0 EIAARN COCCSc1ccccc1C(=O)N1CCCc2ccccc21 ZINC000002865302 563458143 /nfs/dbraw/zinc/45/81/43/563458143.db2.gz BKTDGAXGMBSPJC-UHFFFAOYSA-N 0 0 327.449 4.018 50 0 EIAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3ncnn32)cc1 ZINC000002870738 563459064 /nfs/dbraw/zinc/45/90/64/563459064.db2.gz KMNZVUHMUWNSPV-VQTJNVASSA-N 0 0 348.450 4.440 50 0 EIAARN CCc1ccccc1NC(=O)[C@@H](C)N1c2cccc3cccc(c23)C1=O ZINC000002879363 563460424 /nfs/dbraw/zinc/46/04/24/563460424.db2.gz KMMLFOOZFSUDEZ-CQSZACIVSA-N 0 0 344.414 4.390 50 0 EIAARN CCn1c(Sc2ccc(C=O)o2)nnc1-c1ccc(Cl)cc1 ZINC000002886337 563461744 /nfs/dbraw/zinc/46/17/44/563461744.db2.gz HJNMJOAAPOHXBP-UHFFFAOYSA-N 0 0 333.800 4.175 50 0 EIAARN Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)cc1C ZINC000002969265 563465092 /nfs/dbraw/zinc/46/50/92/563465092.db2.gz AWPHKCKJSLGFKN-HNNXBMFYSA-N 0 0 327.811 4.079 50 0 EIAARN COc1cc(C=O)ccc1OCCOc1cc(C)c(Cl)c(C)c1 ZINC000002983795 563466341 /nfs/dbraw/zinc/46/63/41/563466341.db2.gz DZDJOWQJXDTQBB-UHFFFAOYSA-N 0 0 334.799 4.236 50 0 EIAARN Clc1cccc(OCCOCCOc2cccc3cccnc32)c1 ZINC000002985585 563466966 /nfs/dbraw/zinc/46/69/66/563466966.db2.gz QWJMVJUVAMFVOX-UHFFFAOYSA-N 0 0 343.810 4.363 50 0 EIAARN COc1cc(C=O)ccc1OCCOc1cc(C(C)C)ccc1C ZINC000002985903 563467131 /nfs/dbraw/zinc/46/71/31/563467131.db2.gz HMBIRPOBUPFGBW-UHFFFAOYSA-N 0 0 328.408 4.397 50 0 EIAARN O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000003003004 563469539 /nfs/dbraw/zinc/46/95/39/563469539.db2.gz QIDBWAGVHNTILV-ZSOIEALJSA-N 0 0 331.780 4.287 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000003330296 563482009 /nfs/dbraw/zinc/48/20/09/563482009.db2.gz NMXMCFIYNIOTDX-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cccc2ccccc21 ZINC000003531640 563486435 /nfs/dbraw/zinc/48/64/35/563486435.db2.gz IMBKQDWRFVWEMJ-UHFFFAOYSA-N 0 0 330.343 4.247 50 0 EIAARN O[C@@H](c1ccccc1Br)C(Cl)(Cl)C(F)(F)F ZINC000003847608 563489354 /nfs/dbraw/zinc/48/93/54/563489354.db2.gz YYCKRUDDFXWNPC-ZETCQYMHSA-N 0 0 337.950 4.219 50 0 EIAARN C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(Cl)c23)C1 ZINC000003887553 563490552 /nfs/dbraw/zinc/49/05/52/563490552.db2.gz IMEWTDBWEQQPEJ-NSHDSACASA-N 0 0 335.904 4.455 50 0 EIAARN O=C(NCCOc1ccc2oc3ccccc3c2c1)c1cccs1 ZINC000003901401 563490905 /nfs/dbraw/zinc/49/09/05/563490905.db2.gz XFSJVYBSUQYDPH-UHFFFAOYSA-N 0 0 337.400 4.456 50 0 EIAARN CC(=O)Oc1ccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc1 ZINC000003903960 563491030 /nfs/dbraw/zinc/49/10/30/563491030.db2.gz MRFFBVFJJNDQAS-UXBLZVDNSA-N 0 0 347.370 4.256 50 0 biogenic EIAARN Oc1ccccc1-c1nnc(C=Cc2ccc(Br)cc2)[nH]1 ZINC000004199762 563497506 /nfs/dbraw/zinc/49/75/06/563497506.db2.gz YTXGMWJOVHBVPJ-JXMROGBWSA-N 0 0 342.196 4.110 50 0 EIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)Cc2csc3ccccc23)cc1 ZINC000004237584 563498342 /nfs/dbraw/zinc/49/83/42/563498342.db2.gz SPEPQRSPYPTJKR-AWEZNQCLSA-N 0 0 345.489 4.119 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)cc1)CC(=O)N2 ZINC000004488949 563503431 /nfs/dbraw/zinc/50/34/31/563503431.db2.gz WOOYGDDWCXAJFR-OAHLLOKOSA-N 0 0 325.408 4.267 50 0 EIAARN FC(F)(F)c1nnc2sc(-c3ccc(Cl)cc3Cl)nn21 ZINC000004487464 563503451 /nfs/dbraw/zinc/50/34/51/563503451.db2.gz IMYJFRMYHJYUIG-UHFFFAOYSA-N 0 0 339.129 4.178 50 0 EIAARN Clc1ccc(OCc2nn3c(nnc3-c3cccs3)s2)cc1 ZINC000004511861 563504000 /nfs/dbraw/zinc/50/40/00/563504000.db2.gz YXJYQDBAHHSNCH-UHFFFAOYSA-N 0 0 348.840 4.147 50 0 EIAARN CCc1nnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1 ZINC000004538951 563504648 /nfs/dbraw/zinc/50/46/48/563504648.db2.gz MTMPERLLLMDHIZ-UHFFFAOYSA-N 0 0 345.449 4.238 50 0 EIAARN Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(Br)c1 ZINC000004549514 563505096 /nfs/dbraw/zinc/50/50/96/563505096.db2.gz BBHRJCRWIBSMRY-ZDUSSCGKSA-N 0 0 348.240 4.014 50 0 EIAARN C/C(=C\c1nsc(Nc2ccccc2)n1)NCCc1ccccc1 ZINC000004556231 563505247 /nfs/dbraw/zinc/50/52/47/563505247.db2.gz YTKXHOQXEVXOGM-CCEZHUSRSA-N 0 0 336.464 4.475 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2[nH]cnc2c1 ZINC000004625550 563506083 /nfs/dbraw/zinc/50/60/83/563506083.db2.gz IRRKDASPNFAXCC-UHFFFAOYSA-N 0 0 339.704 4.487 50 0 EIAARN O=C(Nc1ccc(F)cc1)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000004626134 563506174 /nfs/dbraw/zinc/50/61/74/563506174.db2.gz YFDLSJVNERFVNK-UHFFFAOYSA-N 0 0 347.353 4.179 50 0 EIAARN CCCCN=C1NC(=Cc2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000004664713 563506863 /nfs/dbraw/zinc/50/68/63/563506863.db2.gz SCUACRWOZWCWSR-CYVLTUHYSA-N 0 0 333.435 4.128 50 0 EIAARN COc1ccccc1/C=C/c1nn2c(nnc2-c2ccc(C)cc2)s1 ZINC000004664979 563507237 /nfs/dbraw/zinc/50/72/37/563507237.db2.gz IZVYYUJUEFSXII-VAWYXSNFSA-N 0 0 348.431 4.340 50 0 EIAARN CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 ZINC000004698176 563508104 /nfs/dbraw/zinc/50/81/04/563508104.db2.gz SOPFVOXRELEVHX-ZROIWOOFSA-N 0 0 332.812 4.035 50 0 EIAARN CC(C)(C)c1ccc(OCC2N=NC(=S)N2c2ccccc2)cc1 ZINC000004711314 563508603 /nfs/dbraw/zinc/50/86/03/563508603.db2.gz XXZKSFOFVGQVCX-UHFFFAOYSA-N 0 0 339.464 4.433 50 0 EIAARN COc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2)cc1C(C)C ZINC000004761296 563510786 /nfs/dbraw/zinc/51/07/86/563510786.db2.gz CDGHHYJJWFQXFY-UHFFFAOYSA-N 0 0 333.453 4.236 50 0 EIAARN C[C@H](CNC(=O)/C=C/c1ccccc1)OC12CC3CC(CC(C3)C1)C2 ZINC000004789106 563511346 /nfs/dbraw/zinc/51/13/46/563511346.db2.gz AIIFTUZCMSIDSX-TWOGEZQMSA-N 0 0 339.479 4.190 50 0 EIAARN CC(=O)CCc1ccc(OCCOc2cccc3cccnc32)cc1 ZINC000004843055 563513550 /nfs/dbraw/zinc/51/35/50/563513550.db2.gz RDSQEGIVFXCMPH-UHFFFAOYSA-N 0 0 335.403 4.214 50 0 EIAARN C[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000004853980 563513839 /nfs/dbraw/zinc/51/38/39/563513839.db2.gz CYXHKFCPUQJJSD-ZBEGNZNMSA-N 0 0 343.224 4.339 50 0 EIAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000004868883 563514279 /nfs/dbraw/zinc/51/42/79/563514279.db2.gz DRXMGVMBQMSIIR-UHFFFAOYSA-N 0 0 338.190 4.457 50 0 EIAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccs1 ZINC000004985807 563517478 /nfs/dbraw/zinc/51/74/78/563517478.db2.gz VHBZUJPDUTTYBR-HNNXBMFYSA-N 0 0 337.444 4.499 50 0 EIAARN COc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1OC ZINC000004999063 563518224 /nfs/dbraw/zinc/51/82/24/563518224.db2.gz PQQAJJTZRMMQOF-CQSZACIVSA-N 0 0 344.480 4.368 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)CC2=O ZINC000005015845 563518912 /nfs/dbraw/zinc/51/89/12/563518912.db2.gz LLWQQZMFDHMPRV-GFCCVEGCSA-N 0 0 347.208 4.185 50 0 EIAARN C[C@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Nc1ccc3nccnc3c1)C2 ZINC000005050018 563519834 /nfs/dbraw/zinc/51/98/34/563519834.db2.gz ZXAOAHPHTKLYRR-YDHLFZDLSA-N 0 0 340.496 4.083 50 0 EIAARN COc1ccc(-c2nnc(SCc3ccccc3C)o2)c(OC)c1 ZINC000005171000 563521644 /nfs/dbraw/zinc/52/16/44/563521644.db2.gz CABOACSPSYTLBL-UHFFFAOYSA-N 0 0 342.420 4.355 50 0 EIAARN Cc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)(C)C ZINC000005183346 563522129 /nfs/dbraw/zinc/52/21/29/563522129.db2.gz VTOHGZLHVRTFBJ-UHFFFAOYSA-N 0 0 348.446 4.277 50 0 EIAARN CC(C)c1ccc(C2=NNC(=O)[C@H](c3c[nH]c4ccccc43)C2)cc1 ZINC000005189666 563522463 /nfs/dbraw/zinc/52/24/63/563522463.db2.gz JCFRSLMYECGBRY-KRWDZBQOSA-N 0 0 331.419 4.299 50 0 EIAARN Cc1cc(NCc2ccccn2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000005324607 563526851 /nfs/dbraw/zinc/52/68/51/563526851.db2.gz GCVPZDHHMXRBFB-UHFFFAOYSA-N 0 0 349.825 4.365 50 0 EIAARN CCc1nccn1-c1cc(C)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000005343065 563527657 /nfs/dbraw/zinc/52/76/57/563527657.db2.gz BITSVDBNHQNEBQ-UHFFFAOYSA-N 0 0 337.814 4.106 50 0 EIAARN COc1cccc(Nc2cc(C)nc3c(-c4ccccc4)cnn32)c1 ZINC000005516425 563536205 /nfs/dbraw/zinc/53/62/05/563536205.db2.gz UINHIYRGCUWIDQ-UHFFFAOYSA-N 0 0 330.391 4.457 50 0 EIAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000005541078 563538175 /nfs/dbraw/zinc/53/81/75/563538175.db2.gz UBBRWYJKIBNMBP-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000005600112 563542199 /nfs/dbraw/zinc/54/21/99/563542199.db2.gz RAXNVICOPBUQSN-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCOC(=O)c1cnc(SC)nc1Oc1ccc2ccccc2c1 ZINC000005710704 563546622 /nfs/dbraw/zinc/54/66/22/563546622.db2.gz JXPFBWSUYPAISJ-UHFFFAOYSA-N 0 0 340.404 4.321 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(OC(F)F)c1 ZINC000005714214 563546650 /nfs/dbraw/zinc/54/66/50/563546650.db2.gz FAPVVKXFHAIDSN-UHFFFAOYSA-N 0 0 347.239 4.439 50 0 EIAARN CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)cc(OCC)c1OCC ZINC000006328723 563565156 /nfs/dbraw/zinc/56/51/56/563565156.db2.gz TVOLYDLSHNAQBN-GDBMZVCRSA-N 0 0 349.471 4.191 50 0 EIAARN CCc1ccc(OCC2N=NC(=S)N2[C@H](C)c2ccccc2)cc1 ZINC000006343518 563565663 /nfs/dbraw/zinc/56/56/63/563565663.db2.gz IBSFSHXLBJKTIU-CQSZACIVSA-N 0 0 339.464 4.318 50 0 EIAARN O=c1[nH]cnc2c1oc1nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000006402951 563567644 /nfs/dbraw/zinc/56/76/44/563567644.db2.gz QLPFWTBYBXCBRZ-UHFFFAOYSA-N 0 0 339.354 4.398 50 0 EIAARN O=C1C[C@H](c2cccs2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000006445955 563568441 /nfs/dbraw/zinc/56/84/41/563568441.db2.gz AVBZCDIVERRKSE-LLVKDONJSA-N 0 0 329.812 4.266 50 0 EIAARN C[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000010573079 563569096 /nfs/dbraw/zinc/56/90/96/563569096.db2.gz OFGGPPSJVUVTSR-RQJHMYQMSA-N 0 0 343.271 4.229 50 0 EIAARN CC[C@H](C)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000071909322 563573219 /nfs/dbraw/zinc/57/32/19/563573219.db2.gz HQHOZSKAEILDHA-WNSKOXEYSA-N 0 0 329.465 4.120 50 0 EIAARN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1 ZINC000071909587 563575119 /nfs/dbraw/zinc/57/51/19/563575119.db2.gz APZUUUGOTGMTGT-OYLFLEFRSA-N 0 0 348.512 4.212 50 0 EIAARN CCc1ccccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000006697348 563578645 /nfs/dbraw/zinc/57/86/45/563578645.db2.gz DAEJVJMJLJKYTL-UHFFFAOYSA-N 0 0 327.767 4.261 50 0 EIAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(Cl)c1 ZINC000006697986 563578680 /nfs/dbraw/zinc/57/86/80/563578680.db2.gz NPWODMNEIOUOTE-UHFFFAOYSA-N 0 0 342.786 4.054 50 0 EIAARN CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1Cl ZINC000006819398 563587395 /nfs/dbraw/zinc/58/73/95/563587395.db2.gz CJGYRTSDZAVFNM-OAHLLOKOSA-N 0 0 349.858 4.197 50 0 EIAARN O=C(Cc1cc(-c2ccccc2)on1)N(Cc1ccsc1)C1CC1 ZINC000071911660 563588231 /nfs/dbraw/zinc/58/82/31/563588231.db2.gz JTOYXIQSJIFOOA-UHFFFAOYSA-N 0 0 338.432 4.137 50 0 EIAARN Cc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1C ZINC000006876568 563590095 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COc1ccc([C@H]2SCCN2C(=S)Nc2ccc(F)cc2)cc1 ZINC000008691732 563635686 /nfs/dbraw/zinc/63/56/86/563635686.db2.gz UFIPVOLNUYINIV-MRXNPFEDSA-N 0 0 348.468 4.279 50 0 EIAARN CCC(CC)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000008782396 563639992 /nfs/dbraw/zinc/63/99/92/563639992.db2.gz CRABMUAJQWBEAR-UHFFFAOYSA-N 0 0 336.435 4.264 50 0 EIAARN CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc(C(C)(C)C)n[nH]1 ZINC000022748729 563640735 /nfs/dbraw/zinc/64/07/35/563640735.db2.gz GPBDZIOJQCUSTQ-LBPRGKRZSA-N 0 0 346.500 4.345 50 0 EIAARN CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C(C)(C)C)n[nH]1 ZINC000022748725 563640772 /nfs/dbraw/zinc/64/07/72/563640772.db2.gz GPBDZIOJQCUSTQ-GFCCVEGCSA-N 0 0 346.500 4.345 50 0 EIAARN C[C@@H](c1nnc(NC(=O)c2ccc(F)cc2)s1)c1ccccc1 ZINC000008913936 563640823 /nfs/dbraw/zinc/64/08/23/563640823.db2.gz GHXDIHGPINBETL-LLVKDONJSA-N 0 0 327.384 4.081 50 0 EIAARN COc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000009063955 563641479 /nfs/dbraw/zinc/64/14/79/563641479.db2.gz 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COc1ccc([C@@H](CC(=O)N(C)CC(C)C)c2ccccc2)cc1 ZINC000011951352 563652225 /nfs/dbraw/zinc/65/22/25/563652225.db2.gz BTFUPLGAIHTEKW-FQEVSTJZSA-N 0 0 325.452 4.332 50 0 EIAARN O=C(Nc1ccccc1OCCCc1ccccc1)c1ccncc1 ZINC000012137961 563654341 /nfs/dbraw/zinc/65/43/41/563654341.db2.gz RCOOSDSNNRLANA-UHFFFAOYSA-N 0 0 332.403 4.346 50 0 EIAARN CCc1ccc(CNCc2cccnc2N(C)C2CCCCC2)o1 ZINC000012193127 563655730 /nfs/dbraw/zinc/65/57/30/563655730.db2.gz MCCOWTKOAJMRLY-UHFFFAOYSA-N 0 0 327.472 4.296 50 0 EIAARN Cc1c([C@H](C)NCc2ccc(F)cc2F)cnn1-c1cccc(F)c1 ZINC000012199838 563656096 /nfs/dbraw/zinc/65/60/96/563656096.db2.gz FSSBORPFQHRNAB-LBPRGKRZSA-N 0 0 345.368 4.449 50 0 EIAARN CC[C@@H](C)NC(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012298306 563657287 /nfs/dbraw/zinc/65/72/87/563657287.db2.gz JCPZEQRAROCUOQ-SNVBAGLBSA-N 0 0 333.844 4.245 50 0 EIAARN Cc1ccccc1CC[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000012308995 563657727 /nfs/dbraw/zinc/65/77/27/563657727.db2.gz SMMCKWUMPHZVKZ-FQEVSTJZSA-N 0 0 336.479 4.194 50 0 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CN(Cc1cccs1)C(=O)c1ccccc1C(=O)c1cccs1 ZINC000013017675 563685577 /nfs/dbraw/zinc/68/55/77/563685577.db2.gz LFEFRUIKOBBLML-UHFFFAOYSA-N 0 0 341.457 4.313 50 0 EIAARN COc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1OC(C)C ZINC000013110155 563688174 /nfs/dbraw/zinc/68/81/74/563688174.db2.gz PRKBEOSLFXUJDT-UHFFFAOYSA-N 0 0 325.836 4.008 50 0 EIAARN CCOc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1 ZINC000013125496 563689667 /nfs/dbraw/zinc/68/96/67/563689667.db2.gz STRUXRRMGXYREQ-UHFFFAOYSA-N 0 0 341.798 4.151 50 0 EIAARN COc1cccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccco3)C2)c1 ZINC000013128637 563690007 /nfs/dbraw/zinc/69/00/07/563690007.db2.gz KPECWVAFTGRHHL-LJQANCHMSA-N 0 0 346.386 4.280 50 0 EIAARN Cc1sc(NC(=O)c2cccs2)c(C(N)=O)c1-c1ccccc1 ZINC000013328564 563695943 /nfs/dbraw/zinc/69/59/43/563695943.db2.gz DVRVZZXEGFUWAC-UHFFFAOYSA-N 0 0 342.445 4.136 50 0 EIAARN CCc1c(C)sc(NC(=O)c2csc(C)c2)c1C(=O)NC1CC1 ZINC000013329327 563696017 /nfs/dbraw/zinc/69/60/17/563696017.db2.gz CBSMELOHAKHYLF-UHFFFAOYSA-N 0 0 348.493 4.133 50 0 EIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 ZINC000013678151 563710391 /nfs/dbraw/zinc/71/03/91/563710391.db2.gz OAMRQKIHYVJPOS-INIZCTEOSA-N 0 0 338.451 4.013 50 0 EIAARN Cc1ccc2nc(C)cc(NC(=O)c3ccc(Br)o3)c2c1 ZINC000013690545 563712250 /nfs/dbraw/zinc/71/22/50/563712250.db2.gz NDKKQAHDKMUMNS-UHFFFAOYSA-N 0 0 345.196 4.459 50 0 EIAARN Cc1cnc(NC(=O)c2sc(-c3ccccc3F)nc2C)s1 ZINC000013722296 563717208 /nfs/dbraw/zinc/71/72/08/563717208.db2.gz LSAHWSIDTUXZQC-UHFFFAOYSA-N 0 0 333.413 4.275 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1csc2ccccc12 ZINC000013746834 563720803 /nfs/dbraw/zinc/72/08/03/563720803.db2.gz FSJGQYVZSVDIPD-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1C ZINC000032753818 563727242 /nfs/dbraw/zinc/72/72/42/563727242.db2.gz JQLYSOMNMPPCOU-UHFFFAOYSA-N 0 0 345.826 4.015 50 0 EIAARN COc1cccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)c1OC ZINC000004479387 563729157 /nfs/dbraw/zinc/72/91/57/563729157.db2.gz GAROGWDBXFAOLE-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN COc1cccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)c1OC ZINC000004479385 563729186 /nfs/dbraw/zinc/72/91/86/563729186.db2.gz AQVZEFPFORHMBT-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN O=C(Nc1cccnc1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000032769308 563729873 /nfs/dbraw/zinc/72/98/73/563729873.db2.gz PQQFCKSZLBQASA-FQEVSTJZSA-N 0 0 342.402 4.028 50 0 EIAARN C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000013933143 563730999 /nfs/dbraw/zinc/73/09/99/563730999.db2.gz HBFVCODTJICFKN-JTQLQIEISA-N 0 0 325.359 4.148 50 0 EIAARN O=C1c2ccccc2[C@@H](NCc2cccs2)N1C1CCCCC1 ZINC000013940219 563731685 /nfs/dbraw/zinc/73/16/85/563731685.db2.gz AUPLZBORWJEQIZ-SFHVURJKSA-N 0 0 326.465 4.325 50 0 EIAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000013942325 563731708 /nfs/dbraw/zinc/73/17/08/563731708.db2.gz IWLLZKDYXHTQMM-YCRPNKLZSA-N 0 0 346.430 4.201 50 0 EIAARN CCCc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 ZINC000013947265 563732435 /nfs/dbraw/zinc/73/24/35/563732435.db2.gz 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/nfs/dbraw/zinc/73/80/97/563738097.db2.gz WKNZMBZXCXCGHL-RYUDHWBXSA-N 0 0 344.377 4.141 50 0 EIAARN CCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 ZINC000059921488 563738746 /nfs/dbraw/zinc/73/87/46/563738746.db2.gz YPWWBBLWIMMHFT-UHFFFAOYSA-N 0 0 340.398 4.157 50 0 EIAARN Cc1ccccc1-n1cnnc1SCC(=O)c1c[nH]c2ccccc12 ZINC000004501034 563738809 /nfs/dbraw/zinc/73/88/09/563738809.db2.gz XXGMXEAWLBZNOU-UHFFFAOYSA-N 0 0 348.431 4.032 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000014093026 563739233 /nfs/dbraw/zinc/73/92/33/563739233.db2.gz HBUURYURISUEQA-UHFFFAOYSA-N 0 0 341.436 4.213 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000014095665 563740421 /nfs/dbraw/zinc/74/04/21/563740421.db2.gz KEOMQIXZUJUNRS-MRXNPFEDSA-N 0 0 333.435 4.194 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1Cl ZINC000014124042 563743309 /nfs/dbraw/zinc/74/33/09/563743309.db2.gz URCQOJMKZVYKRP-NSHDSACASA-N 0 0 348.855 4.418 50 0 EIAARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000014134529 563743597 /nfs/dbraw/zinc/74/35/97/563743597.db2.gz BFTPNYODMLLLQA-WDEREUQCSA-N 0 0 346.477 4.014 50 0 EIAARN COc1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000014129259 563743603 /nfs/dbraw/zinc/74/36/03/563743603.db2.gz YSGJACODKMVUQA-OAHLLOKOSA-N 0 0 341.436 4.144 50 0 EIAARN Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000014196447 563749403 /nfs/dbraw/zinc/74/94/03/563749403.db2.gz FCHHLTYZAMCSKA-UHFFFAOYSA-N 0 0 326.377 4.154 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc2cccnc21 ZINC000014200120 563750122 /nfs/dbraw/zinc/75/01/22/563750122.db2.gz CLAFAVPYUPPRGV-UHFFFAOYSA-N 0 0 344.414 4.325 50 0 EIAARN Cc1cc(-c2csc(N3CCCC3)n2)c(C)n1-c1nccs1 ZINC000014229661 563752814 /nfs/dbraw/zinc/75/28/14/563752814.db2.gz SCJHFLSCQHWRHG-UHFFFAOYSA-N 0 0 330.482 4.274 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2ccc(SC)cc2)cc1C ZINC000004517637 563753215 /nfs/dbraw/zinc/75/32/15/563753215.db2.gz QCHSUTVCEJVDRB-UHFFFAOYSA-N 0 0 335.450 4.207 50 0 EIAARN Cc1cccc(C(=O)NCCC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000014739307 563764248 /nfs/dbraw/zinc/76/42/48/563764248.db2.gz KDNXQWLTSNWGNV-UHFFFAOYSA-N 0 0 338.451 4.185 50 0 EIAARN Fc1ccc(-c2nc(CSc3nncn3C3CC3)cs2)cc1 ZINC000014846393 563765743 /nfs/dbraw/zinc/76/57/43/563765743.db2.gz KLWJOEIOOQOWIZ-UHFFFAOYSA-N 0 0 332.429 4.168 50 0 EIAARN O=c1cc(C=Cc2ccccc2Br)[nH]c2ccccc12 ZINC000015016978 563772836 /nfs/dbraw/zinc/77/28/36/563772836.db2.gz ZSOVOXCRWUFBBR-MDZDMXLPSA-N 0 0 326.193 4.461 50 0 EIAARN Cn1c(Cl)cnc1CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000015033971 563773909 /nfs/dbraw/zinc/77/39/09/563773909.db2.gz FMRZVCIRPGEZRN-GOSISDBHSA-N 0 0 343.883 4.283 50 0 EIAARN O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccon1 ZINC000015062700 563774316 /nfs/dbraw/zinc/77/43/16/563774316.db2.gz KKYLFIWTKCZYAO-SFHVURJKSA-N 0 0 340.810 4.166 50 0 EIAARN O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)NCc1ccon1 ZINC000015063835 563774616 /nfs/dbraw/zinc/77/46/16/563774616.db2.gz KPWFISKQHPBXON-KRWDZBQOSA-N 0 0 340.810 4.166 50 0 EIAARN Cc1nc2c(c(NC(=O)c3cccc(Cl)c3)nn2C)c(C)c1Cl ZINC000015107925 563778315 /nfs/dbraw/zinc/77/83/15/563778315.db2.gz MTJQFQGVTBQPCY-UHFFFAOYSA-N 0 0 349.221 4.144 50 0 EIAARN NC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000015129631 563778670 /nfs/dbraw/zinc/77/86/70/563778670.db2.gz BHWRXYZBHUDOCQ-UHFFFAOYSA-N 0 0 341.370 4.188 50 0 EIAARN CSc1ccc(C2=NNC(=NCc3ccc(F)cc3)SC2)cc1 ZINC000015453048 563784690 /nfs/dbraw/zinc/78/46/90/563784690.db2.gz MSBMJEXJDADYJA-UHFFFAOYSA-N 0 0 345.468 4.144 50 0 EIAARN COc1ccccc1CCNC(=O)c1sccc1-c1ccccc1 ZINC000015536730 563786523 /nfs/dbraw/zinc/78/65/23/563786523.db2.gz FWLMJSACZAIMRH-UHFFFAOYSA-N 0 0 337.444 4.396 50 0 EIAARN C[C@H](CNC(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000015534191 563786526 /nfs/dbraw/zinc/78/65/26/563786526.db2.gz WRFUASCGLVKXLC-MRXNPFEDSA-N 0 0 332.403 4.407 50 0 EIAARN Cc1ccc(F)cc1NC(=O)CCC(=O)c1ccc(Cl)s1 ZINC000015592078 563788039 /nfs/dbraw/zinc/78/80/39/563788039.db2.gz OSXNTFSMXDURBZ-UHFFFAOYSA-N 0 0 325.792 4.451 50 0 EIAARN O=C(Nc1cccc2cccnc21)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000015612027 563788413 /nfs/dbraw/zinc/78/84/13/563788413.db2.gz DLOKRBWSFJPNJW-AWEZNQCLSA-N 0 0 338.794 4.078 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1C ZINC000015659737 563789483 /nfs/dbraw/zinc/78/94/83/563789483.db2.gz PTQALQHJEIEUAV-UHFFFAOYSA-N 0 0 344.842 4.046 50 0 EIAARN COc1ccc(-c2nc(C(=O)N[C@@H]3CCCC[C@H]3C)cs2)cc1 ZINC000015662392 563789997 /nfs/dbraw/zinc/78/99/97/563789997.db2.gz XKNCWDXFNUNFLB-IUODEOHRSA-N 0 0 330.453 4.127 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2cscn2)cc1 ZINC000015662400 563790029 /nfs/dbraw/zinc/79/00/29/563790029.db2.gz ACDHCTMWDANQFP-CXAGYDPISA-N 0 0 330.453 4.031 50 0 EIAARN CSc1ccc(CN(C)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000015765620 563791870 /nfs/dbraw/zinc/79/18/70/563791870.db2.gz YVHIMJPFATVSAT-QGZVFWFLSA-N 0 0 347.867 4.024 50 0 EIAARN O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1cccnc1 ZINC000015826726 563792972 /nfs/dbraw/zinc/79/29/72/563792972.db2.gz HBCGCYWTEUJWGI-UHFFFAOYSA-N 0 0 338.794 4.420 50 0 EIAARN O=C(c1cc(-c2ccco2)on1)N1CCC[C@H]1c1cccc(F)c1 ZINC000015836212 563794081 /nfs/dbraw/zinc/79/40/81/563794081.db2.gz BUKHNDQCLIJOCW-HNNXBMFYSA-N 0 0 326.327 4.051 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1cccnc1 ZINC000015839649 563794876 /nfs/dbraw/zinc/79/48/76/563794876.db2.gz ZQWVLRRYXJGPBP-HXUWFJFHSA-N 0 0 336.822 4.183 50 0 EIAARN CCCOc1ccc(NC(=O)c2ccccc2OC)c2cccnc12 ZINC000015840899 563795786 /nfs/dbraw/zinc/79/57/86/563795786.db2.gz CYPNUTUWLPSXJH-UHFFFAOYSA-N 0 0 336.391 4.285 50 0 EIAARN CCCc1nc2ccccc2n1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000015860743 563797411 /nfs/dbraw/zinc/79/74/11/563797411.db2.gz MHXZJFNBLDKNHJ-KRWDZBQOSA-N 0 0 338.451 4.046 50 0 EIAARN Cc1ccc(Sc2ccc(NC(=O)C3=COCCO3)cc2)cc1C ZINC000015980723 563801571 /nfs/dbraw/zinc/80/15/71/563801571.db2.gz NYSGYFWKFMOWEQ-UHFFFAOYSA-N 0 0 341.432 4.281 50 0 EIAARN CC(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000016017083 563802154 /nfs/dbraw/zinc/80/21/54/563802154.db2.gz KUTYINTZLUJLCS-UHFFFAOYSA-N 0 0 330.453 4.304 50 0 EIAARN Clc1ccc(OCCCCn2ccnc2)c(Br)c1 ZINC000016193056 563805643 /nfs/dbraw/zinc/80/56/43/563805643.db2.gz ZLRKVOSYYQFLFU-UHFFFAOYSA-N 0 0 329.625 4.158 50 0 EIAARN Fc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1F ZINC000016331439 563808814 /nfs/dbraw/zinc/80/88/14/563808814.db2.gz WANQFZLNLPYSIK-UHFFFAOYSA-N 0 0 327.359 4.186 50 0 EIAARN O=C(CCC1CCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000016603481 563816335 /nfs/dbraw/zinc/81/63/35/563816335.db2.gz GAHMMAYFGNAOQX-UHFFFAOYSA-N 0 0 328.456 4.222 50 0 EIAARN Cc1sc(NC(=O)c2ccncc2)nc1-c1cccc(Cl)c1 ZINC000016603360 563816431 /nfs/dbraw/zinc/81/64/31/563816431.db2.gz VJIYYYSFBSGQJN-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CCOc1ccc(CCNC(=O)c2ccc(C)cc2C)cc1OCC ZINC000016645301 563818546 /nfs/dbraw/zinc/81/85/46/563818546.db2.gz XIRDXMCBEOZUEZ-UHFFFAOYSA-N 0 0 341.451 4.073 50 0 EIAARN Cc1ccc(Oc2ncc(Br)cn2)c(Br)c1 ZINC000016696645 563820988 /nfs/dbraw/zinc/82/09/88/563820988.db2.gz BNYGLIORSSWISH-UHFFFAOYSA-N 0 0 344.006 4.102 50 0 EIAARN CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C(C)C ZINC000016780044 563823398 /nfs/dbraw/zinc/82/33/98/563823398.db2.gz JOACTTDMLJGZNA-RHSMWYFYSA-N 0 0 339.501 4.066 50 0 EIAARN CCc1ccc(-n2c(N)c(C(=O)N3CCCCC3)sc2=S)cc1 ZINC000016806220 563824084 /nfs/dbraw/zinc/82/40/84/563824084.db2.gz OTZSCKYXLHHJRY-UHFFFAOYSA-N 0 0 347.509 4.039 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)cc1 ZINC000060165808 563825317 /nfs/dbraw/zinc/82/53/17/563825317.db2.gz GCXGUSLSRUVULD-LBPRGKRZSA-N 0 0 342.464 4.108 50 0 EIAARN Cc1ccccc1C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000032924729 563827543 /nfs/dbraw/zinc/82/75/43/563827543.db2.gz GULBRSBEKQYLLJ-UHFFFAOYSA-N 0 0 336.366 4.251 50 0 EIAARN Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)C[C@H](C)C2 ZINC000017027333 563829336 /nfs/dbraw/zinc/82/93/36/563829336.db2.gz APSMRPWKIJJWLP-SECBINFHSA-N 0 0 335.329 4.312 50 0 EIAARN Cc1nn(C(C)C)c2nc(C)cc(C(=O)Nc3ccc(F)cc3F)c12 ZINC000017071810 563835267 /nfs/dbraw/zinc/83/52/67/563835267.db2.gz RGMGRTOXMYTDEM-UHFFFAOYSA-N 0 0 344.365 4.160 50 0 EIAARN COC(=O)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000017072339 563836104 /nfs/dbraw/zinc/83/61/04/563836104.db2.gz JXTKFZNKWDNBPZ-UHFFFAOYSA-N 0 0 348.280 4.209 50 0 EIAARN Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)cc1 ZINC000017976264 563846754 /nfs/dbraw/zinc/84/67/54/563846754.db2.gz BPTMEHZRBCEALN-RTBURBONSA-N 0 0 335.403 4.467 50 0 EIAARN Cc1ccc(-c2nc3ccccc3c(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 ZINC000017995519 563847085 /nfs/dbraw/zinc/84/70/85/563847085.db2.gz XTJUHZVQYUMZEB-IYBDPMFKSA-N 0 0 333.435 4.219 50 0 EIAARN Cc1cnc(NC(=O)c2ccccc2OCc2ccc(F)cc2)s1 ZINC000010622971 563847114 /nfs/dbraw/zinc/84/71/14/563847114.db2.gz WFCGHVWILGBTJA-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN CCCc1c(C)nc(SCc2c(F)cccc2Cl)[nH]c1=O ZINC000018084411 563848190 /nfs/dbraw/zinc/84/81/90/563848190.db2.gz QPVLGIJQFBLART-UHFFFAOYSA-N 0 0 326.824 4.116 50 0 EIAARN Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)c(C)c1 ZINC000018114303 563848891 /nfs/dbraw/zinc/84/88/91/563848891.db2.gz PACPHBIBQHVQKU-CQSZACIVSA-N 0 0 333.391 4.343 50 0 EIAARN Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)c1 ZINC000018164154 563850020 /nfs/dbraw/zinc/85/00/20/563850020.db2.gz QKHOLMCAIKHCFU-KDURUIRLSA-N 0 0 335.403 4.467 50 0 EIAARN Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000018247115 563851633 /nfs/dbraw/zinc/85/16/33/563851633.db2.gz BPTMEHZRBCEALN-KDURUIRLSA-N 0 0 335.403 4.467 50 0 EIAARN CCc1cccc(CC)c1NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000010642415 563852895 /nfs/dbraw/zinc/85/28/95/563852895.db2.gz QGQNSWVKJPVOLW-UHFFFAOYSA-N 0 0 333.435 4.309 50 0 EIAARN COc1ccc(C)cc1CN(C)C(=O)Nc1cccc2cnccc21 ZINC000043161346 563856514 /nfs/dbraw/zinc/85/65/14/563856514.db2.gz BEGSEEGJOIXPCE-UHFFFAOYSA-N 0 0 335.407 4.216 50 0 EIAARN Clc1ccccc1-c1nnc(CN2CCCc3ccccc32)o1 ZINC000021578263 563861054 /nfs/dbraw/zinc/86/10/54/563861054.db2.gz IJJXHQDQRFNKQG-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/91/81/73/563918173.db2.gz QTOCDEJRYSXXCT-UHFFFAOYSA-N 0 0 333.391 4.153 50 0 EIAARN Cc1ccc(NC(=O)COc2ccnc3cc(F)c(F)cc32)cc1C ZINC000072311164 563918256 /nfs/dbraw/zinc/91/82/56/563918256.db2.gz TWRUKARYAWYRKK-UHFFFAOYSA-N 0 0 342.345 4.147 50 0 EIAARN COc1ccc(CNc2cc(C)c3c(OC)ccc(OC)c3n2)cc1 ZINC000023634054 563919426 /nfs/dbraw/zinc/91/94/26/563919426.db2.gz ZKQYYKBSIWYYOU-UHFFFAOYSA-N 0 0 338.407 4.181 50 0 EIAARN CC(C)(C)C(=O)Nc1cc(Br)cc(Br)c1 ZINC000038536948 563921864 /nfs/dbraw/zinc/92/18/64/563921864.db2.gz FQRDVBBRQWCCSC-UHFFFAOYSA-N 0 0 335.039 4.196 50 0 EIAARN Cc1csc(-c2ccc(CNC(=O)CCc3ccccc3)cc2)n1 ZINC000097938095 563922691 /nfs/dbraw/zinc/92/26/91/563922691.db2.gz AWTLYRYHPWUWGK-UHFFFAOYSA-N 0 0 336.460 4.368 50 0 EIAARN COc1ccc(CCC(=O)Nc2cnc(-c3ccc(C)cc3)nc2)cc1 ZINC000097938531 563923037 /nfs/dbraw/zinc/92/30/37/563923037.db2.gz BVIWSHOKPZLZKK-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 EIAARN O=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1ccc(F)cc1 ZINC000097938557 563923062 /nfs/dbraw/zinc/92/30/62/563923062.db2.gz LYSHNMMIAYUCRX-UHFFFAOYSA-N 0 0 327.746 4.188 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@H](c3cccc(O)c3)O2)C1 ZINC000040450003 563923116 /nfs/dbraw/zinc/92/31/16/563923116.db2.gz ISFDSEQAKHNOGE-VQIMIIECSA-N 0 0 333.428 4.013 50 0 EIAARN O=C(c1ccc(C2OCCO2)s1)c1ccc(Cl)cc1Cl ZINC000043210438 563925289 /nfs/dbraw/zinc/92/52/89/563925289.db2.gz YDSKSVOJWYUVMM-UHFFFAOYSA-N 0 0 329.204 4.331 50 0 EIAARN COc1cccc2ccn(CCC(=O)NCc3ccccc3Cl)c21 ZINC000044890125 563927491 /nfs/dbraw/zinc/92/74/91/563927491.db2.gz OJTSMCWUVNUYCL-UHFFFAOYSA-N 0 0 342.826 4.010 50 0 EIAARN CCN(C[C@H]1CCOC1)C(=O)Nc1cccc(-c2ccsc2)c1 ZINC000071862718 563929199 /nfs/dbraw/zinc/92/91/99/563929199.db2.gz YDNPDUOBUGOADB-CQSZACIVSA-N 0 0 330.453 4.305 50 0 EIAARN Cc1ccc(NC(=O)N(C)[C@H](C)c2cccnc2)cc1OCC(F)F ZINC000071862745 563929235 /nfs/dbraw/zinc/92/92/35/563929235.db2.gz JYZXUNDCCLIWJB-CYBMUJFWSA-N 0 0 349.381 4.259 50 0 EIAARN COCCN(C(=S)Nc1cc(C)cc(C)c1)[C@@H](C)c1ccco1 ZINC000013543434 563929825 /nfs/dbraw/zinc/92/98/25/563929825.db2.gz LUMWIKURSWMBBN-HNNXBMFYSA-N 0 0 332.469 4.303 50 0 EIAARN COc1cc(Cl)ccc1C(=O)NCC(C)(C)c1ccccc1F ZINC000060338157 563931492 /nfs/dbraw/zinc/93/14/92/563931492.db2.gz KNYDIJHDTYYENX-UHFFFAOYSA-N 0 0 335.806 4.195 50 0 EIAARN Cc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cl ZINC000011128933 563931801 /nfs/dbraw/zinc/93/18/01/563931801.db2.gz JETPGNTWLFJZQM-QGZVFWFLSA-N 0 0 332.806 4.219 50 0 EIAARN COc1ccc(Cc2noc(Cc3c(F)cccc3Cl)n2)cc1 ZINC000004617008 563932616 /nfs/dbraw/zinc/93/26/16/563932616.db2.gz GJFFVHSCNWHJNH-UHFFFAOYSA-N 0 0 332.762 4.052 50 0 EIAARN CNc1ccccc1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000011150025 563933059 /nfs/dbraw/zinc/93/30/59/563933059.db2.gz WKBTXTUJRHMMNU-UHFFFAOYSA-N 0 0 342.782 4.394 50 0 EIAARN CC(=O)c1ccc(N2CCN(Cc3ccc4ccccc4c3)CC2)cc1 ZINC000055031588 563933312 /nfs/dbraw/zinc/93/33/12/563933312.db2.gz KJDLWFJGNQURNV-UHFFFAOYSA-N 0 0 344.458 4.365 50 0 EIAARN COc1c(F)ccc(C(=O)N(Cc2ccsc2)CC(C)C)c1F ZINC000055120110 563933783 /nfs/dbraw/zinc/93/37/83/563933783.db2.gz JFZZQFRYYGSWCX-UHFFFAOYSA-N 0 0 339.407 4.333 50 0 EIAARN C[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 ZINC000055244872 563934104 /nfs/dbraw/zinc/93/41/04/563934104.db2.gz YXXZBIBMCBSIBB-HNNXBMFYSA-N 0 0 335.382 4.019 50 0 EIAARN Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3nccn3C)c(C)o2)o1 ZINC000055270943 563934297 /nfs/dbraw/zinc/93/42/97/563934297.db2.gz GJIPFWVVTYOTTI-MRXNPFEDSA-N 0 0 340.427 4.012 50 0 EIAARN Fc1ccc(CN(Cc2ccc(Cl)nc2)C[C@@H]2CCCO2)cc1 ZINC000055371229 563934578 /nfs/dbraw/zinc/93/45/78/563934578.db2.gz TXOLCDCXYOLKLU-KRWDZBQOSA-N 0 0 334.822 4.055 50 0 EIAARN COc1ccccc1CN(C/C=C/c1ccco1)Cc1cccnc1 ZINC000055393138 563934744 /nfs/dbraw/zinc/93/47/44/563934744.db2.gz QWGNORCJAIUKJD-WEVVVXLNSA-N 0 0 334.419 4.399 50 0 EIAARN C[C@@H](NCc1cc(C(N)=O)cs1)c1cc(F)c(Cl)cc1Cl ZINC000095427493 563935588 /nfs/dbraw/zinc/93/55/88/563935588.db2.gz GCFKDCMWTOFIJR-SSDOTTSWSA-N 0 0 347.242 4.144 50 0 EIAARN COc1cccc(SCC(=O)N[C@H](C)c2ccc(SC)cc2)c1 ZINC000058002964 563936417 /nfs/dbraw/zinc/93/64/17/563936417.db2.gz UQINQAUFYULBTN-CYBMUJFWSA-N 0 0 347.505 4.387 50 0 EIAARN COCCCCN(Cc1ccccc1)C(=O)Nc1ccccc1F ZINC000058016959 563936739 /nfs/dbraw/zinc/93/67/39/563936739.db2.gz KTYKKFJQTFMKHP-UHFFFAOYSA-N 0 0 330.403 4.286 50 0 EIAARN CC(C)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000058029561 563936802 /nfs/dbraw/zinc/93/68/02/563936802.db2.gz LEKDIABTIVPQKN-UHFFFAOYSA-N 0 0 339.464 4.329 50 0 EIAARN O=C(NCc1ccc(-n2ccnc2)cc1)Nc1cccc2c1CCCC2 ZINC000058061574 563937090 /nfs/dbraw/zinc/93/70/90/563937090.db2.gz DTUFCDASCMGTLO-UHFFFAOYSA-N 0 0 346.434 4.073 50 0 EIAARN CCCC(=O)Nc1cccc(N[C@H](C)c2nc(CCC)no2)c1C ZINC000058158212 563938086 /nfs/dbraw/zinc/93/80/86/563938086.db2.gz GIWHMXFUJUFQMJ-CYBMUJFWSA-N 0 0 330.432 4.242 50 0 EIAARN CNC(=O)c1cc(NC(=O)c2oc3ccccc3c2C)ccc1Cl ZINC000058193546 563939477 /nfs/dbraw/zinc/93/94/77/563939477.db2.gz VOGHNMXOILPECR-UHFFFAOYSA-N 0 0 342.782 4.007 50 0 EIAARN C[C@@H](NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1ccccn1 ZINC000058202489 563939763 /nfs/dbraw/zinc/93/97/63/563939763.db2.gz KLRGXHIOKMRJJV-OAHLLOKOSA-N 0 0 348.450 4.213 50 0 EIAARN COc1cc(CN(C)C(=O)Nc2ccccc2F)ccc1SC ZINC000058218908 563940179 /nfs/dbraw/zinc/94/01/79/563940179.db2.gz IPBPSLZQOWIEHV-UHFFFAOYSA-N 0 0 334.416 4.220 50 0 EIAARN CC(C)(C)C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000058246190 563940810 /nfs/dbraw/zinc/94/08/10/563940810.db2.gz VAKAQQKBABNNHY-UHFFFAOYSA-N 0 0 342.266 4.461 50 0 EIAARN CSc1nc(C)c(CCC(=O)N(C(C)C)C2CCCCC2)c(C)n1 ZINC000058266311 563941236 /nfs/dbraw/zinc/94/12/36/563941236.db2.gz BRJWTIKAOHBMLN-UHFFFAOYSA-N 0 0 349.544 4.318 50 0 EIAARN Cc1ccc(-c2nc(CCNC(=O)Nc3cccc(F)c3)co2)cc1 ZINC000058310018 563942292 /nfs/dbraw/zinc/94/22/92/563942292.db2.gz RGNZXYMBLYNCER-UHFFFAOYSA-N 0 0 339.370 4.153 50 0 EIAARN O=C(c1csc(-c2ccccn2)n1)N1CCC[C@@H]1Cc1ccccc1 ZINC000058314203 563942374 /nfs/dbraw/zinc/94/23/74/563942374.db2.gz 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O=C(NCCc1cscn1)c1ccc(-c2ccccc2Cl)o1 ZINC000091691547 563975680 /nfs/dbraw/zinc/97/56/80/563975680.db2.gz PAXZYRYTDDXXCJ-UHFFFAOYSA-N 0 0 332.812 4.029 50 0 EIAARN O=C(NCc1ccccc1C(F)(F)F)C1(c2ccc(F)cc2)CC1 ZINC000091794449 563975761 /nfs/dbraw/zinc/97/57/61/563975761.db2.gz VLBZKMHHYJMWHH-UHFFFAOYSA-N 0 0 337.316 4.193 50 0 EIAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC=C(c2ccccc2)CC1 ZINC000091951111 563975938 /nfs/dbraw/zinc/97/59/38/563975938.db2.gz VUFPVSFPBQKCCV-UHFFFAOYSA-N 0 0 329.403 4.006 50 0 EIAARN Cc1c(C(=O)N(C)Cc2cnc3ccccn23)[nH]c2c1c(C)ccc2C ZINC000092046306 563975986 /nfs/dbraw/zinc/97/59/86/563975986.db2.gz GFROMYMKDUDAOF-UHFFFAOYSA-N 0 0 346.434 4.013 50 0 EIAARN O=C(c1ccc2ccccc2c1)N1CC[C@H](Cc2ccc(CO)cc2)C1 ZINC000092066315 563976068 /nfs/dbraw/zinc/97/60/68/563976068.db2.gz VLVLSKCRTMORPV-LJQANCHMSA-N 0 0 345.442 4.037 50 0 EIAARN COc1cc(NC(=O)NC2(c3ccccc3)CC2)c(OC)cc1Cl ZINC000000092185 563976596 /nfs/dbraw/zinc/97/65/96/563976596.db2.gz CQRGYJOSOFSFOU-UHFFFAOYSA-N 0 0 346.814 4.168 50 0 EIAARN Cc1cccc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)oc21 ZINC000095352310 563976683 /nfs/dbraw/zinc/97/66/83/563976683.db2.gz VIZLKBWRUPTEDX-UHFFFAOYSA-N 0 0 345.402 4.199 50 0 EIAARN CCCCn1ccnc1[C@@H]1CCCN(c2cc(CCC)nc(C)n2)C1 ZINC000095502968 563977091 /nfs/dbraw/zinc/97/70/91/563977091.db2.gz XUKSKSSBSSRXMX-QGZVFWFLSA-N 0 0 341.503 4.118 50 0 EIAARN Cc1ccc(-n2nnnc2SCc2cccc3cccnc32)cc1C ZINC000011536835 563977650 /nfs/dbraw/zinc/97/76/50/563977650.db2.gz XZKKFLKAWPBSBA-UHFFFAOYSA-N 0 0 347.447 4.120 50 0 EIAARN CCOc1ccc(NC(=O)N2CCC(F)(F)CC2)cc1-n1cccc1 ZINC000096136620 563979429 /nfs/dbraw/zinc/97/94/29/563979429.db2.gz DWEIUTUESFFGNP-UHFFFAOYSA-N 0 0 349.381 4.139 50 0 EIAARN CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccn2)cc1 ZINC000096166742 563979976 /nfs/dbraw/zinc/97/99/76/563979976.db2.gz WDBUOTBGPHZKPI-GOSISDBHSA-N 0 0 325.412 4.239 50 0 EIAARN CC(C)(Br)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000096179474 563980052 /nfs/dbraw/zinc/98/00/52/563980052.db2.gz NAQYNXWNHZZUGL-UHFFFAOYSA-N 0 0 346.224 4.030 50 0 EIAARN CCCSc1ccccc1NC(=O)N[C@H](CC)c1ccnn1C ZINC000096180496 563980058 /nfs/dbraw/zinc/98/00/58/563980058.db2.gz KCMAWYSMGGOIMD-CYBMUJFWSA-N 0 0 332.473 4.195 50 0 EIAARN COCc1ccc(C(=O)N(Cc2ccncc2)C2CCCCC2)s1 ZINC000097413326 563981527 /nfs/dbraw/zinc/98/15/27/563981527.db2.gz JFCGQFAZRQFRLR-UHFFFAOYSA-N 0 0 344.480 4.265 50 0 EIAARN CC(C)c1nc(CN2CCC(c3nc4ccccc4o3)CC2)co1 ZINC000097547483 563981659 /nfs/dbraw/zinc/98/16/59/563981659.db2.gz UHBWMHBRNOLDDW-UHFFFAOYSA-N 0 0 325.412 4.319 50 0 EIAARN O=C(c1cc2cc(Br)ccc2[nH]1)C(Cl)(Cl)Cl ZINC000097756611 563981817 /nfs/dbraw/zinc/98/18/17/563981817.db2.gz PNMFANFTKZAXNQ-UHFFFAOYSA-N 0 0 341.419 4.483 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@]3(CCCO3)CC2)c2cccc(C)c2n1 ZINC000097784882 563981895 /nfs/dbraw/zinc/98/18/95/563981895.db2.gz SQEUVBXIOFCHJI-OAQYLSRUSA-N 0 0 338.451 4.027 50 0 EIAARN Cn1c2ccccc2c2ccc(C[N@@H+]3CCCC[C@@H]3CC(=O)[O-])cc21 ZINC000097797247 563981928 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ZINC000014610441 563986176 /nfs/dbraw/zinc/98/61/76/563986176.db2.gz HJHVNBDXZSIIBE-UHFFFAOYSA-N 0 0 345.406 4.160 50 0 EIAARN CCc1nn(-c2ccccc2F)c2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000107077 563986485 /nfs/dbraw/zinc/98/64/85/563986485.db2.gz PVYYSTHASNPUKU-HNNXBMFYSA-N 0 0 334.394 4.487 50 0 EIAARN Cc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000131948 563986991 /nfs/dbraw/zinc/98/69/91/563986991.db2.gz OUHRCVMPDHGUKH-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN COc1ccc(C)cc1NC(=O)COc1ccccc1C(C)(C)C ZINC000000145204 563987199 /nfs/dbraw/zinc/98/71/99/563987199.db2.gz GYBSQSPXQVYHHF-UHFFFAOYSA-N 0 0 327.424 4.319 50 0 EIAARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C/c1ccc(F)cc1 ZINC000000178057 563987739 /nfs/dbraw/zinc/98/77/39/563987739.db2.gz KHEQGGNZNHEPMP-VGOFMYFVSA-N 0 0 336.149 4.477 50 0 EIAARN O=C(NC[C@H]1CCCO1)c1sc2cccc(Cl)c2c1Cl ZINC000000184709 563987955 /nfs/dbraw/zinc/98/79/55/563987955.db2.gz OAKLZIWVSSWBIH-MRVPVSSYSA-N 0 0 330.236 4.117 50 0 EIAARN COc1cccc(OCCn2c3ccccc3nc2C(F)(F)F)c1 ZINC000000197014 563988228 /nfs/dbraw/zinc/98/82/28/563988228.db2.gz KSZPJABLLGVQCI-UHFFFAOYSA-N 0 0 336.313 4.143 50 0 EIAARN Cc1ccc(SCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000000197803 563988278 /nfs/dbraw/zinc/98/82/78/563988278.db2.gz UZLWFACKCHZBLG-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN Fc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000000205871 563988493 /nfs/dbraw/zinc/98/84/93/563988493.db2.gz ZQBUZNPHZFDPCF-HZPDHXFCSA-N 0 0 328.778 4.217 50 0 EIAARN Cc1sc2nc(C)nc(Nc3ccc4c(c3)OCCO4)c2c1C ZINC000000215549 563988640 /nfs/dbraw/zinc/98/86/40/563988640.db2.gz YMYWEYZGHUYDFZ-UHFFFAOYSA-N 0 0 327.409 4.131 50 0 EIAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000000222202 563988848 /nfs/dbraw/zinc/98/88/48/563988848.db2.gz FDNWTGCGATUOIG-IAGOWNOFSA-N 0 0 340.814 4.086 50 0 EIAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)N2CCCCC2)cc1 ZINC000000224599 563988988 /nfs/dbraw/zinc/98/89/88/563988988.db2.gz FWWPBIFCHHGPJP-UHFFFAOYSA-N 0 0 347.414 4.395 50 0 EIAARN COc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)c(OC)c1 ZINC000000238312 563989052 /nfs/dbraw/zinc/98/90/52/563989052.db2.gz CHXTVRNLTWJKCR-UHFFFAOYSA-N 0 0 333.387 4.208 50 0 EIAARN Cc1cc(C)cc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)c1 ZINC000000248368 563989464 /nfs/dbraw/zinc/98/94/64/563989464.db2.gz GYODVXDTERASEQ-LJQANCHMSA-N 0 0 344.499 4.353 50 0 EIAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1Cl ZINC000000252327 563989512 /nfs/dbraw/zinc/98/95/12/563989512.db2.gz VXXNAMOTDAJSFK-ZDUSSCGKSA-N 0 0 339.826 4.056 50 0 EIAARN Cc1ccc2c(CC(=O)OCc3noc(C(C)(C)C)n3)coc2c1C ZINC000050257273 563989581 /nfs/dbraw/zinc/98/95/81/563989581.db2.gz LDARDCVNLLXBKR-UHFFFAOYSA-N 0 0 342.395 4.016 50 0 EIAARN CCC(=O)O[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 ZINC000000267986 563990017 /nfs/dbraw/zinc/99/00/17/563990017.db2.gz NHMCUUWCWNYGQI-HNAYVOBHSA-N 0 0 337.419 4.428 50 0 EIAARN COc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000000270577 563990049 /nfs/dbraw/zinc/99/00/49/563990049.db2.gz CHKHVFJQDXHKOI-UHFFFAOYSA-N 0 0 341.802 4.329 50 0 EIAARN CCOC1CCN(C(=O)c2ccc(OC)c(-c3ccccc3)c2)CC1 ZINC000050338926 563990135 /nfs/dbraw/zinc/99/01/35/563990135.db2.gz HDFAFLKVRZOKKW-UHFFFAOYSA-N 0 0 339.435 4.003 50 0 EIAARN Cc1cnc(NC(=O)c2nc(-c3ccccc3F)sc2C)s1 ZINC000011691888 563990838 /nfs/dbraw/zinc/99/08/38/563990838.db2.gz YEAWSBUFGNDZOX-UHFFFAOYSA-N 0 0 333.413 4.275 50 0 EIAARN C[C@@H](CCc1ccccc1)N1C[C@@H](COc2ccccc2)OC1=S ZINC000000341035 563991371 /nfs/dbraw/zinc/99/13/71/563991371.db2.gz ZKVUNPUUHDIXDI-LPHOPBHVSA-N 0 0 341.476 4.072 50 0 EIAARN Cc1nn(C)c2ncc(NC(=O)c3ccccc3-c3ccccc3)cc12 ZINC000024032768 563991411 /nfs/dbraw/zinc/99/14/11/563991411.db2.gz SWYRNONESCHYQK-UHFFFAOYSA-N 0 0 342.402 4.196 50 0 EIAARN CCn1c2ccccc2[nH]c1=NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000355677 563991630 /nfs/dbraw/zinc/99/16/30/563991630.db2.gz MNCGGHHFCOUMTH-UHFFFAOYSA-N 0 0 349.221 4.429 50 0 EIAARN O=C(c1ccc(-n2ccnc2)nc1)N1CCCCC[C@@H]1c1ccccc1 ZINC000133476103 563992067 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Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2F)n1 ZINC000257365267 563993348 /nfs/dbraw/zinc/99/33/48/563993348.db2.gz YISLYXFIZCOVDL-UXLLHSPISA-N 0 0 344.455 4.448 50 0 EIAARN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Cl)cc1 ZINC000000387070 563993549 /nfs/dbraw/zinc/99/35/49/563993549.db2.gz WOKZKWXQLDPSOO-UHFFFAOYSA-N 0 0 348.793 4.302 50 0 EIAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccco2)cc1F ZINC000004991870 563993670 /nfs/dbraw/zinc/99/36/70/563993670.db2.gz HUACYGFBELKJQT-IBGZPJMESA-N 0 0 336.366 4.494 50 0 EIAARN CC(=O)c1c(C)cc(C)c(COC(=O)c2c[nH]nc2C(C)C)c1C ZINC000061239789 563993756 /nfs/dbraw/zinc/99/37/56/563993756.db2.gz WNJKVNIUMOZBFL-UHFFFAOYSA-N 0 0 328.412 4.018 50 0 EIAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000005020221 563993813 /nfs/dbraw/zinc/99/38/13/563993813.db2.gz FTBYVQFJHLESQB-INIZCTEOSA-N 0 0 327.815 4.343 50 0 EIAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)c(C)c1 ZINC000005053352 563994092 /nfs/dbraw/zinc/99/40/92/563994092.db2.gz ASQVBAOBQJYAIH-UHFFFAOYSA-N 0 0 348.446 4.334 50 0 EIAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)cc1C ZINC000005053250 563994094 /nfs/dbraw/zinc/99/40/94/563994094.db2.gz NRWZBUJCBUAJEO-UHFFFAOYSA-N 0 0 348.446 4.334 50 0 EIAARN CCn1c(C(=O)NCc2ccc(F)cc2)cc2oc3ccccc3c21 ZINC000005149912 563994647 /nfs/dbraw/zinc/99/46/47/563994647.db2.gz BCRNLBPWKURQJY-UHFFFAOYSA-N 0 0 336.366 4.477 50 0 EIAARN Cc1cccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c1 ZINC000005152760 563994748 /nfs/dbraw/zinc/99/47/48/563994748.db2.gz YMHRZAKADKPVPC-HXUWFJFHSA-N 0 0 346.430 4.122 50 0 EIAARN Cc1c([C@H](C)NC(=O)Nc2ccc(C)cc2C)cnn1-c1ccccn1 ZINC000011821945 563995079 /nfs/dbraw/zinc/99/50/79/563995079.db2.gz KIERXGGUOJFSBP-HNNXBMFYSA-N 0 0 349.438 4.075 50 0 EIAARN Cc1sc(-c2ccc(F)cc2)nc1C(=O)Oc1cccc(N)c1 ZINC000011867534 563995241 /nfs/dbraw/zinc/99/52/41/563995241.db2.gz MZLAESQOJVHANY-UHFFFAOYSA-N 0 0 328.368 4.059 50 0 EIAARN Cc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)n1 ZINC000011907849 563995432 /nfs/dbraw/zinc/99/54/32/563995432.db2.gz LVHLGQZVDQBGEK-UHFFFAOYSA-N 0 0 346.434 4.032 50 0 EIAARN CC[C@H](NC(=O)c1cccc2c1O[C@@H](C)[C@H]2C)c1ccc(OC)cc1 ZINC000248251161 563995626 /nfs/dbraw/zinc/99/56/26/563995626.db2.gz PLQXICAWNYECQA-TYILLQQXSA-N 0 0 339.435 4.461 50 0 EIAARN Cc1nc2c(c(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)n1)CCC2 ZINC000012016751 563995704 /nfs/dbraw/zinc/99/57/04/563995704.db2.gz SWFPMWZOVYNCNR-SNVBAGLBSA-N 0 0 347.871 4.046 50 0 EIAARN Cc1ccc(NC(=O)CSc2cc(-c3ccccc3)ncn2)cc1 ZINC000012016675 563995712 /nfs/dbraw/zinc/99/57/12/563995712.db2.gz LHNZNRVVUHKGFC-UHFFFAOYSA-N 0 0 335.432 4.183 50 0 EIAARN Fc1ccccc1Nc1ncncc1-c1nc(-c2ccsc2)no1 ZINC000225579411 563996001 /nfs/dbraw/zinc/99/60/01/563996001.db2.gz GPYPFPYIVVNUOL-UHFFFAOYSA-N 0 0 339.355 4.138 50 0 EIAARN NC(=S)[C@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000002559829 563996461 /nfs/dbraw/zinc/99/64/61/563996461.db2.gz BFHRJGOZOWUIKQ-LLVKDONJSA-N 0 0 330.762 4.172 50 0 EIAARN Cc1ccc(C)c(C[S@@](=O)Cc2csc([C@H]3CCCO3)n2)c1 ZINC000134274270 563996547 /nfs/dbraw/zinc/99/65/47/563996547.db2.gz UJMFSDMSAQSWCD-ZHRRBRCNSA-N 0 0 335.494 4.060 50 0 EIAARN CC(C)Sc1ccccc1NC(=O)NC[C@H](c1ccco1)N(C)C ZINC000135403445 563997404 /nfs/dbraw/zinc/99/74/04/563997404.db2.gz LGWJBGPZMZUZKF-OAHLLOKOSA-N 0 0 347.484 4.205 50 0 EIAARN Cc1ccccc1NC(=O)Cn1cc(C(=O)C(C)C)c2ccccc21 ZINC000000560873 563997555 /nfs/dbraw/zinc/99/75/55/563997555.db2.gz YONOFNQJYQZCHR-UHFFFAOYSA-N 0 0 334.419 4.427 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2CC(C)C)ccc1C(=O)N(C)C ZINC000252488825 563997782 /nfs/dbraw/zinc/99/77/82/563997782.db2.gz IZTVIRCFMIPUNS-UHFFFAOYSA-N 0 0 338.451 4.148 50 0 EIAARN Cc1cccc(NC(=O)CSc2nccn2-c2ccccc2)c1C ZINC000000427342 563998647 /nfs/dbraw/zinc/99/86/47/563998647.db2.gz CXZQUZBLEWUQDY-UHFFFAOYSA-N 0 0 337.448 4.220 50 0 EIAARN Cc1cccc(-n2ncc3c2ncnc3NCc2cccc(Cl)c2)c1 ZINC000000425615 563998959 /nfs/dbraw/zinc/99/89/59/563998959.db2.gz SXPHBVYKANBCQO-UHFFFAOYSA-N 0 0 349.825 4.389 50 0 EIAARN Cc1c(C(=O)NC(C)(C)C)sc2nc(-c3ccc(F)cc3)cn12 ZINC000000429801 563999109 /nfs/dbraw/zinc/99/91/09/563999109.db2.gz RJTJZXCQJROOSJ-UHFFFAOYSA-N 0 0 331.416 4.039 50 0 EIAARN CCOc1ncccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000430444 563999392 /nfs/dbraw/zinc/99/93/92/563999392.db2.gz KXWZITWCSIFDIQ-UHFFFAOYSA-N 0 0 333.391 4.476 50 0 EIAARN O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C/c1cccc(F)c1 ZINC000000431031 563999410 /nfs/dbraw/zinc/99/94/10/563999410.db2.gz PGAJWLMHJAILPR-MDWZMJQESA-N 0 0 336.149 4.477 50 0 EIAARN CCOc1ccc(/C=C2\N=C(/C=C/c3ccc(C)cc3)OC2=O)cc1 ZINC000000430848 563999413 /nfs/dbraw/zinc/99/94/13/563999413.db2.gz UYZIVZZSCGEQQZ-ANMLQGLPSA-N 0 0 333.387 4.403 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)c(F)c1 ZINC000024277154 563999488 /nfs/dbraw/zinc/99/94/88/563999488.db2.gz QMMBYWDWMOTPPL-BIENSFFJSA-N 0 0 345.439 4.445 50 0 EIAARN O=C(CCC(=O)c1cccs1)OCc1coc(-c2ccccc2)n1 ZINC000024278327 563999599 /nfs/dbraw/zinc/99/95/99/563999599.db2.gz GQSQKQURLNAXQP-UHFFFAOYSA-N 0 0 341.388 4.109 50 0 EIAARN Cc1cc(N2CCCCC2)nc(-c2ccc(Br)cc2)n1 ZINC000000343292 564000159 /nfs/dbraw/zinc/00/01/59/564000159.db2.gz XPDOZICZTRJZBG-UHFFFAOYSA-N 0 0 332.245 4.205 50 0 EIAARN COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(C)cc1 ZINC000000371507 564000181 /nfs/dbraw/zinc/00/01/81/564000181.db2.gz OABITBXSJIEAQG-UHFFFAOYSA-N 0 0 329.421 4.167 50 0 EIAARN Cc1ccc2cccc(OCC(=O)N[C@@H](C)CCc3ccccc3)c2n1 ZINC000005198602 564000333 /nfs/dbraw/zinc/00/03/33/564000333.db2.gz RYSRPEUJJVNCHJ-INIZCTEOSA-N 0 0 348.446 4.060 50 0 EIAARN CNc1nc2c(s1)[C@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000061717648 564000356 /nfs/dbraw/zinc/00/03/56/564000356.db2.gz OVLRFYSYVNCECS-VIFPVBQESA-N 0 0 338.230 4.071 50 0 EIAARN O=C(Nc1cccnc1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000061718378 564000423 /nfs/dbraw/zinc/00/04/23/564000423.db2.gz QDJOTPYTRNAKRQ-UHFFFAOYSA-N 0 0 327.387 4.337 50 0 EIAARN COCCn1cc(NC(=O)N[C@H](C)c2ccccc2)c2ccccc21 ZINC000005266406 564001636 /nfs/dbraw/zinc/00/16/36/564001636.db2.gz VBGDIYOUEUVSON-OAHLLOKOSA-N 0 0 337.423 4.170 50 0 EIAARN CCCC(=O)N(Cc1ccccn1)c1nc2c(cc(F)cc2F)s1 ZINC000005265254 564001705 /nfs/dbraw/zinc/00/17/05/564001705.db2.gz JFCUBBINOQRROT-UHFFFAOYSA-N 0 0 347.390 4.303 50 0 EIAARN Cc1cccc(Cn2cccc(C(=O)Nc3cc(C)ccc3C)c2=O)c1 ZINC000005269702 564002192 /nfs/dbraw/zinc/00/21/92/564002192.db2.gz CQTVLXQOBGXUJO-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Clc1cc(CSc2nc3ccccc3[nH]2)cc2c1OCCO2 ZINC000005270148 564002241 /nfs/dbraw/zinc/00/22/41/564002241.db2.gz CPKUHEAURHXHPG-UHFFFAOYSA-N 0 0 332.812 4.280 50 0 EIAARN Cc1cc(C(=O)COC(=O)c2cccc(-n3cccc3)c2)c(C)s1 ZINC000005280540 564002425 /nfs/dbraw/zinc/00/24/25/564002425.db2.gz PIXONYVXHMUYJU-UHFFFAOYSA-N 0 0 339.416 4.195 50 0 EIAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H]2CCCO2)cc1 ZINC000061997251 564002619 /nfs/dbraw/zinc/00/26/19/564002619.db2.gz FLBQNKAOQUKFJX-KRWDZBQOSA-N 0 0 349.386 4.090 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1csc(Nc2ccccn2)n1 ZINC000062022539 564002785 /nfs/dbraw/zinc/00/27/85/564002785.db2.gz 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ZINC000005501385 564004860 /nfs/dbraw/zinc/00/48/60/564004860.db2.gz JMULWTMUXSMGSQ-UHFFFAOYSA-N 0 0 332.432 4.416 50 0 EIAARN Cc1nc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2nc1C ZINC000004717571 564005351 /nfs/dbraw/zinc/00/53/51/564005351.db2.gz SLDADTZKVQKFJF-UHFFFAOYSA-N 0 0 347.752 4.431 50 0 EIAARN C[C@H](Sc1nnc(-c2ccccc2F)n1N)c1ccccc1Cl ZINC000004986760 564005638 /nfs/dbraw/zinc/00/56/38/564005638.db2.gz ZWBJXKXULVJBON-JTQLQIEISA-N 0 0 348.834 4.305 50 0 EIAARN CSc1nc(-n2nc(C)cc2C)nc2sc3c(c21)CCCC3 ZINC000005575567 564005717 /nfs/dbraw/zinc/00/57/17/564005717.db2.gz FQOZCAPZIGCSBK-UHFFFAOYSA-N 0 0 330.482 4.095 50 0 EIAARN O=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000000472282 564006226 /nfs/dbraw/zinc/00/62/26/564006226.db2.gz XWUCUHVYVLNCOO-UHFFFAOYSA-N 0 0 327.383 4.469 50 0 EIAARN C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(Cl)cn1 ZINC000005627236 564006710 /nfs/dbraw/zinc/00/67/10/564006710.db2.gz YCFYAWZCKYXWAF-LLVKDONJSA-N 0 0 343.839 4.403 50 0 EIAARN Cc1c(O)ccc2c(CSc3nc4ccccc4o3)cc(=O)oc12 ZINC000005628560 564006714 /nfs/dbraw/zinc/00/67/14/564006714.db2.gz YBZMSTYZOSKHAG-UHFFFAOYSA-N 0 0 339.372 4.241 50 0 EIAARN O=C(/C=C/c1cccc(Cl)c1)Oc1ccc(-c2nnco2)cc1 ZINC000007758602 564006929 /nfs/dbraw/zinc/00/69/29/564006929.db2.gz IVNVPLDGEFLDKH-RUDMXATFSA-N 0 0 326.739 4.009 50 0 EIAARN CCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(C)cc1 ZINC000005643166 564006934 /nfs/dbraw/zinc/00/69/34/564006934.db2.gz UEZUJIKAUISELV-BLLLJJGKSA-N 0 0 345.468 4.033 50 0 EIAARN CCCCCOc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000016032551 564008044 /nfs/dbraw/zinc/00/80/44/564008044.db2.gz PHXAHNHFSUYNBQ-NQIIRXRSSA-N 0 0 345.483 4.023 50 0 biogenic EIAARN Cc1nc(C)c(-c2csc(-c3ccc(N4CCCC4)nc3)n2)o1 ZINC000274185602 564008158 /nfs/dbraw/zinc/00/81/58/564008158.db2.gz JSEKNNBRWDIVAT-UHFFFAOYSA-N 0 0 326.425 4.077 50 0 EIAARN Cn1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c2ccccc21 ZINC000016309340 564008373 /nfs/dbraw/zinc/00/83/73/564008373.db2.gz 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/nfs/dbraw/zinc/01/45/44/564014544.db2.gz BBGJRPLYXHFIAC-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C(C)C)cc1 ZINC000206757561 564014820 /nfs/dbraw/zinc/01/48/20/564014820.db2.gz SFYYDNLOIHEVEI-BYICEURKSA-N 0 0 333.497 4.074 50 0 EIAARN O=C(NCc1cncc(-c2ccsc2)c1)Nc1ccccc1F ZINC000206949393 564015424 /nfs/dbraw/zinc/01/54/24/564015424.db2.gz BGAPBTDGDMGWJZ-UHFFFAOYSA-N 0 0 327.384 4.271 50 0 EIAARN O=C(CCSc1ccccc1)N1CCS[C@@H](c2ccco2)CC1 ZINC000207010430 564016379 /nfs/dbraw/zinc/01/63/79/564016379.db2.gz IGHJXANGSWDLDY-QGZVFWFLSA-N 0 0 347.505 4.469 50 0 EIAARN C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000010809074 564017553 /nfs/dbraw/zinc/01/75/53/564017553.db2.gz BVWLCVOXGUWLSC-SECBINFHSA-N 0 0 330.211 4.054 50 0 EIAARN CCn1c(SCc2cccnc2)nnc1-c1c[nH]c2ccccc12 ZINC000018101552 564018065 /nfs/dbraw/zinc/01/80/65/564018065.db2.gz QEJGLLHFXRQCGD-UHFFFAOYSA-N 0 0 335.436 4.134 50 0 EIAARN COc1ccccc1NC(=O)Nc1ccc(Br)cc1C ZINC000018180810 564018595 /nfs/dbraw/zinc/01/85/95/564018595.db2.gz LCNOLAGALYRORF-UHFFFAOYSA-N 0 0 335.201 4.410 50 0 EIAARN Cc1ccccc1-n1c(CNc2ccccc2)nc2ccccc2c1=O ZINC000000500342 564018959 /nfs/dbraw/zinc/01/89/59/564018959.db2.gz SFRYBIXJWPSVRH-UHFFFAOYSA-N 0 0 341.414 4.306 50 0 EIAARN CCc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC)cc1 ZINC000101094880 564018995 /nfs/dbraw/zinc/01/89/95/564018995.db2.gz FBRZMFHXYIMTFJ-UHFFFAOYSA-N 0 0 337.379 4.041 50 0 EIAARN COc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000000504465 564019327 /nfs/dbraw/zinc/01/93/27/564019327.db2.gz NZRPFZXNPZQFMX-UHFFFAOYSA-N 0 0 348.402 4.456 50 0 EIAARN CO[C@@H](C(=O)Nc1cc(-c2ccncc2)ccc1C)c1ccccc1 ZINC000101847174 564019567 /nfs/dbraw/zinc/01/95/67/564019567.db2.gz XGIVTAXGFBNFHM-HXUWFJFHSA-N 0 0 332.403 4.383 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000024442452 564020414 /nfs/dbraw/zinc/02/04/14/564020414.db2.gz CBIRSHJQTCYOGS-INIZCTEOSA-N 0 0 344.414 4.252 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NCc3ccc(C)cc3)cc3cccc(c32)O1 ZINC000064657854 564020500 /nfs/dbraw/zinc/02/05/00/564020500.db2.gz VAJKGVNUYCENLE-KRWDZBQOSA-N 0 0 334.419 4.051 50 0 EIAARN Cc1cc(C)n(CCOC(=O)c2sc3ccccc3c2Cl)n1 ZINC000000529069 564021387 /nfs/dbraw/zinc/02/13/87/564021387.db2.gz NGFHQZBKPSKFHN-UHFFFAOYSA-N 0 0 334.828 4.225 50 0 EIAARN CCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21 ZINC000000529804 564021415 /nfs/dbraw/zinc/02/14/15/564021415.db2.gz BZEFKMKJXDVVLV-UHFFFAOYSA-N 0 0 336.420 4.308 50 0 EIAARN CN(Cc1ccccc1NC[C@H]1CCC=CO1)C(=O)c1cccs1 ZINC000225582462 564022401 /nfs/dbraw/zinc/02/24/01/564022401.db2.gz QSLAJVDVXPVFFV-MRXNPFEDSA-N 0 0 342.464 4.125 50 0 EIAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3CCCO3)c2c1 ZINC000000547614 564022800 /nfs/dbraw/zinc/02/28/00/564022800.db2.gz DYAWXBSPKHQLMT-KRWDZBQOSA-N 0 0 346.430 4.119 50 0 EIAARN CCOC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000000549775 564022907 /nfs/dbraw/zinc/02/29/07/564022907.db2.gz USHWSLSTYOFRCV-FQEVSTJZSA-N 0 0 347.418 4.486 50 0 EIAARN CC(=O)Nc1ccc(C)cc1OCc1coc(-c2cccc(F)c2)n1 ZINC000103720628 564023107 /nfs/dbraw/zinc/02/31/07/564023107.db2.gz KHBZSSXSEYYHMH-UHFFFAOYSA-N 0 0 340.354 4.327 50 0 EIAARN O=C(CSc1ccc(-c2ccco2)nn1)Nc1cccc(Cl)c1 ZINC000004357957 564024346 /nfs/dbraw/zinc/02/43/46/564024346.db2.gz NSGVLOSVNRVTNG-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN CC(C)c1nc(CC(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cs1 ZINC000046745764 564024447 /nfs/dbraw/zinc/02/44/47/564024447.db2.gz HCGBGSNEANXAIA-SWLSCSKDSA-N 0 0 332.469 4.184 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)cc1 ZINC000046747216 564024489 /nfs/dbraw/zinc/02/44/89/564024489.db2.gz WSENMBJHAMXVKD-QGZVFWFLSA-N 0 0 344.480 4.181 50 0 EIAARN O=C(c1nnc(-c2ccncc2)o1)c1ccc(Oc2ccccc2)cc1 ZINC000005737667 564024715 /nfs/dbraw/zinc/02/47/15/564024715.db2.gz SZKCCISUBVRKRZ-UHFFFAOYSA-N 0 0 343.342 4.155 50 0 EIAARN CCC(NCc1ccccc1)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000105472875 564025209 /nfs/dbraw/zinc/02/52/09/564025209.db2.gz DHZYRQMQYGZCDP-WUKNDPDISA-N 0 0 340.810 4.055 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000046864132 564025428 /nfs/dbraw/zinc/02/54/28/564025428.db2.gz NTPUZHOZONLPJM-UHFFFAOYSA-N 0 0 325.799 4.002 50 0 EIAARN CN(Cc1csc2ccccc12)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000046920376 564025603 /nfs/dbraw/zinc/02/56/03/564025603.db2.gz ZFFBPKNXVYDSSI-UHFFFAOYSA-N 0 0 348.427 4.015 50 0 EIAARN Cc1nn2c(nc(C(C)(C)C)cc2C(F)(F)F)c1Br ZINC000002786692 564026000 /nfs/dbraw/zinc/02/60/00/564026000.db2.gz BHRNUTPBMNSXMK-UHFFFAOYSA-N 0 0 336.155 4.117 50 0 EIAARN O=C(CCCc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000047073677 564025673 /nfs/dbraw/zinc/02/56/73/564025673.db2.gz CJIWOOVLZZMZCR-LJQANCHMSA-N 0 0 333.435 4.249 50 0 EIAARN Cc1nccn1-c1ncccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000047174625 564025883 /nfs/dbraw/zinc/02/58/83/564025883.db2.gz MCVVTUNYKQFLEI-UHFFFAOYSA-N 0 0 334.423 4.126 50 0 EIAARN O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)c1cccs1 ZINC000047371784 564026169 /nfs/dbraw/zinc/02/61/69/564026169.db2.gz MCYCXWVGBRZNFA-UHFFFAOYSA-N 0 0 346.415 4.453 50 0 EIAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1cccs1 ZINC000012111442 564026344 /nfs/dbraw/zinc/02/63/44/564026344.db2.gz NQIABMFUBNSBTD-MRXNPFEDSA-N 0 0 348.899 4.359 50 0 EIAARN COc1ccc2c(c1)s/c(=N/C(=O)c1ccc3ccccc3c1)n2C ZINC000012139813 564026355 /nfs/dbraw/zinc/02/63/55/564026355.db2.gz GTTDHWMSAUZSQT-QZQOTICOSA-N 0 0 348.427 4.143 50 0 EIAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000106558355 564026488 /nfs/dbraw/zinc/02/64/88/564026488.db2.gz HCKPPZMSOFBTOZ-FIXISWKDSA-N 0 0 345.270 4.263 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000107050803 564026789 /nfs/dbraw/zinc/02/67/89/564026789.db2.gz RFSHLQKWWGPALO-QRTARXTBSA-N 0 0 342.464 4.070 50 0 EIAARN CSc1ccsc1C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000107110063 564026819 /nfs/dbraw/zinc/02/68/19/564026819.db2.gz ZAKZSLXHEQPIOB-UHFFFAOYSA-N 0 0 346.477 4.239 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000107493426 564026931 /nfs/dbraw/zinc/02/69/31/564026931.db2.gz XNAKAHJORJMFIG-SFHLNBCPSA-N 0 0 328.415 4.091 50 0 EIAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)c1 ZINC000085806622 564027027 /nfs/dbraw/zinc/02/70/27/564027027.db2.gz NDPBJPKQDCCSSD-KRWDZBQOSA-N 0 0 349.390 4.013 50 0 EIAARN COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1OC ZINC000044816094 564027147 /nfs/dbraw/zinc/02/71/47/564027147.db2.gz NMCPXHILOVVYAY-RYUDHWBXSA-N 0 0 331.334 4.011 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(C(C)C)cc3)[nH]n2)cc1 ZINC000044839006 564027325 /nfs/dbraw/zinc/02/73/25/564027325.db2.gz ZXGAAXJOPLYDEN-UHFFFAOYSA-N 0 0 333.435 4.439 50 0 EIAARN COc1ccccc1NC(=O)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044837974 564027349 /nfs/dbraw/zinc/02/73/49/564027349.db2.gz UKXNWRPMDSKZSN-UHFFFAOYSA-N 0 0 343.386 4.491 50 0 EIAARN Cc1cccc(-c2nnc([C@@H](C)N3CCO[C@H](c4ccccc4)C3)o2)c1 ZINC000044908061 564027682 /nfs/dbraw/zinc/02/76/82/564027682.db2.gz BNXJYAOVTSFBDA-APWZRJJASA-N 0 0 349.434 4.180 50 0 EIAARN C[C@@H](C(=O)N1CCC[C@@H]1c1ccsc1)n1cnc2ccccc21 ZINC000044943613 564027863 /nfs/dbraw/zinc/02/78/63/564027863.db2.gz GTIYKSVVRWNTRE-XJKSGUPXSA-N 0 0 325.437 4.023 50 0 EIAARN Cc1ccc(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cn1 ZINC000045270427 564028338 /nfs/dbraw/zinc/02/83/38/564028338.db2.gz FBOBBGDFOWCNSM-HNNXBMFYSA-N 0 0 347.871 4.080 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000051354307 564028712 /nfs/dbraw/zinc/02/87/12/564028712.db2.gz NBZSYPNNDTTXNM-UHFFFAOYSA-N 0 0 332.787 4.469 50 0 EIAARN CCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cccc(C)c1 ZINC000045896279 564028749 /nfs/dbraw/zinc/02/87/49/564028749.db2.gz AFBSBJNPKUXOLS-UHFFFAOYSA-N 0 0 337.379 4.177 50 0 EIAARN CCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1 ZINC000045901095 564028820 /nfs/dbraw/zinc/02/88/20/564028820.db2.gz WRIFLNIGBYLLEQ-UHFFFAOYSA-N 0 0 345.761 4.343 50 0 EIAARN CC(C)COC(=O)c1nc2ccccc2nc1Nc1ccc(F)cc1 ZINC000045901673 564028842 /nfs/dbraw/zinc/02/88/42/564028842.db2.gz BNDLZFSMXHMTJZ-UHFFFAOYSA-N 0 0 339.370 4.325 50 0 EIAARN O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(F)cc2)C1c1ccccc1 ZINC000045942747 564028959 /nfs/dbraw/zinc/02/89/59/564028959.db2.gz ZHIDECOUQIHHNM-LJQANCHMSA-N 0 0 349.361 4.472 50 0 EIAARN O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2)C1c1ccccc1 ZINC000045942776 564028975 /nfs/dbraw/zinc/02/89/75/564028975.db2.gz RDQNOJJAPFSFIO-LJQANCHMSA-N 0 0 331.371 4.332 50 0 EIAARN Fc1ccccc1Nc1c2c(nc3nc(-c4ccco4)nn31)CCCC2 ZINC000046022557 564029294 /nfs/dbraw/zinc/02/92/94/564029294.db2.gz CPZZLBLEFAMEHY-UHFFFAOYSA-N 0 0 349.369 4.146 50 0 EIAARN CCn1c(SCc2ccccc2Br)nnc1C1CC1 ZINC000047832351 564029701 /nfs/dbraw/zinc/02/97/01/564029701.db2.gz KYFLGIOUBHYKJI-UHFFFAOYSA-N 0 0 338.274 4.230 50 0 EIAARN O=C(NCc1ccoc1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000047840394 564029753 /nfs/dbraw/zinc/02/97/53/564029753.db2.gz FFBICJXRXBIABY-UHFFFAOYSA-N 0 0 340.354 4.319 50 0 EIAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)CC3CC3)cc2)o1 ZINC000047903713 564029820 /nfs/dbraw/zinc/02/98/20/564029820.db2.gz GQBJMCJUUDTLIN-UHFFFAOYSA-N 0 0 347.418 4.194 50 0 EIAARN CN(Cc1ccccc1Cl)C(=O)Nc1ccccc1-n1cccn1 ZINC000048152529 564030004 /nfs/dbraw/zinc/03/00/04/564030004.db2.gz AZGQLASRHJVMLO-UHFFFAOYSA-N 0 0 340.814 4.190 50 0 EIAARN Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)C2CC2)o1 ZINC000048234151 564030112 /nfs/dbraw/zinc/03/01/12/564030112.db2.gz PSUKCDDULZDPEK-OAHLLOKOSA-N 0 0 339.435 4.035 50 0 EIAARN CCN(C(C)=O)c1nc(CN2CCC[C@@H]2c2ccccc2C)cs1 ZINC000048251744 564030448 /nfs/dbraw/zinc/03/04/48/564030448.db2.gz SOCSJKHAULOLBS-GOSISDBHSA-N 0 0 343.496 4.161 50 0 EIAARN CCN(C(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000048286882 564030479 /nfs/dbraw/zinc/03/04/79/564030479.db2.gz JBUDFQCXDCFQRN-UHFFFAOYSA-N 0 0 333.435 4.085 50 0 EIAARN COc1ccccc1CNC(=O)NCc1cc2cc(F)ccc2s1 ZINC000048303541 564030709 /nfs/dbraw/zinc/03/07/09/564030709.db2.gz CWFDAPNMHMMERU-UHFFFAOYSA-N 0 0 344.411 4.048 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)CCc3ccccc3F)c2)[nH]c1C ZINC000048302569 564030875 /nfs/dbraw/zinc/03/08/75/564030875.db2.gz DRUSMHNODIHNKQ-UHFFFAOYSA-N 0 0 337.398 4.404 50 0 EIAARN CCCc1noc([C@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000048333571 564031137 /nfs/dbraw/zinc/03/11/37/564031137.db2.gz RTTVCZHJMCFJPQ-KBPBESRZSA-N 0 0 340.427 4.104 50 0 EIAARN Cc1csc(CNC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000048342130 564031247 /nfs/dbraw/zinc/03/12/47/564031247.db2.gz OTFXJRRFQILWHE-XHDPSFHLSA-N 0 0 345.468 4.042 50 0 EIAARN COc1cccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000005199469 564031729 /nfs/dbraw/zinc/03/17/29/564031729.db2.gz DBQBAUVTDXTFLA-OUKQBFOZSA-N 0 0 336.435 4.337 50 0 EIAARN CCn1ccc2cc(NC(=O)CCc3c(C)noc3Cl)ccc21 ZINC000051385615 564032374 /nfs/dbraw/zinc/03/23/74/564032374.db2.gz VDTZEXUKYYYKBH-UHFFFAOYSA-N 0 0 331.803 4.182 50 0 EIAARN Cc1noc(-c2cnc3nc(C)ccc3c2Nc2ccccc2F)n1 ZINC000049420743 564032736 /nfs/dbraw/zinc/03/27/36/564032736.db2.gz ZMBACPCHFAUBAR-UHFFFAOYSA-N 0 0 335.342 4.179 50 0 EIAARN O=C(C[C@@H]1C=CCC1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000115258357 564033086 /nfs/dbraw/zinc/03/30/86/564033086.db2.gz OTWZTYGXHUDJRC-GYCJOSAFSA-N 0 0 339.460 4.289 50 0 EIAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(Cl)nc1 ZINC000012259442 564033260 /nfs/dbraw/zinc/03/32/60/564033260.db2.gz JFPYCPFICPHETJ-UHFFFAOYSA-N 0 0 328.755 4.055 50 0 EIAARN Cc1sc(CNC(=O)c2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000055426713 564033285 /nfs/dbraw/zinc/03/32/85/564033285.db2.gz QNAWGSMAODFHFP-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN CC[C@@H]1CCCCN1C(=O)Nc1cc(Br)ccc1OC ZINC000095954591 564033290 /nfs/dbraw/zinc/03/32/90/564033290.db2.gz ULOVYEKUAQIVIS-GFCCVEGCSA-N 0 0 341.249 4.254 50 0 EIAARN CSc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(F)ccc2O3)cc1 ZINC000006748543 564033425 /nfs/dbraw/zinc/03/34/25/564033425.db2.gz MSSACYSRCWBYHB-UHFFFAOYSA-N 0 0 340.379 4.407 50 0 EIAARN CCCc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000000383837 564033594 /nfs/dbraw/zinc/03/35/94/564033594.db2.gz VEBPVOBCUPTFLJ-UHFFFAOYSA-N 0 0 343.224 4.101 50 0 EIAARN CCCC(=O)Nc1ncc(Cc2ccccc2Br)s1 ZINC000024835583 564034032 /nfs/dbraw/zinc/03/40/32/564034032.db2.gz UNDISGGMOUJHQM-UHFFFAOYSA-N 0 0 339.258 4.235 50 0 EIAARN O=C1NC2(CCCCC2)[C@@H]2CCCC[C@]2(O)N1c1ccc(Cl)cc1 ZINC000012322824 564034112 /nfs/dbraw/zinc/03/41/12/564034112.db2.gz XVTCQWXQPXUOLT-QFBILLFUSA-N 0 0 348.874 4.451 50 0 EIAARN NC(=O)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000024889197 564034316 /nfs/dbraw/zinc/03/43/16/564034316.db2.gz LEJIHWVWCVVXSV-ZDUSSCGKSA-N 0 0 334.853 4.268 50 0 EIAARN O=C(/C=C/c1ccccc1)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007339148 564034319 /nfs/dbraw/zinc/03/43/19/564034319.db2.gz CDNSAFMNDMHTEF-IZZDOVSWSA-N 0 0 340.766 4.147 50 0 EIAARN COC(=O)c1ccc(OCc2cc3ccccc3nc2Cl)cc1 ZINC000007339633 564034327 /nfs/dbraw/zinc/03/43/27/564034327.db2.gz OZQJOVBUVHFWLK-UHFFFAOYSA-N 0 0 327.767 4.254 50 0 EIAARN Cc1nc(NC(=O)Cc2csc(-c3ccccc3)n2)sc1C ZINC000007995760 564034595 /nfs/dbraw/zinc/03/45/95/564034595.db2.gz CWQLOMFNVSEYCY-UHFFFAOYSA-N 0 0 329.450 4.065 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2)no1 ZINC000008061308 564034664 /nfs/dbraw/zinc/03/46/64/564034664.db2.gz DRXMTRWHJLXYGS-UHFFFAOYSA-N 0 0 341.798 4.270 50 0 EIAARN COc1ccccc1CNC(=O)CSc1ccc2ccccc2c1 ZINC000008115907 564034811 /nfs/dbraw/zinc/03/48/11/564034811.db2.gz SSBDREFQTVUUCR-UHFFFAOYSA-N 0 0 337.444 4.257 50 0 EIAARN Cc1cc2nc(Oc3ccc4ccc(=O)oc4c3)c3ccccc3n2n1 ZINC000008231603 564034969 /nfs/dbraw/zinc/03/49/69/564034969.db2.gz LHRUNGSPQDYAJW-UHFFFAOYSA-N 0 0 343.342 4.090 50 0 EIAARN COc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1OC ZINC000000817741 564035005 /nfs/dbraw/zinc/03/50/05/564035005.db2.gz RAMWIXXACUXTCL-HXUWFJFHSA-N 0 0 335.407 4.157 50 0 EIAARN CCCCC1CCC(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000012350242 564035445 /nfs/dbraw/zinc/03/54/45/564035445.db2.gz XMZJDYUXBVTMTE-WLYUNCDWSA-N 0 0 344.455 4.341 50 0 EIAARN CN(Cc1ccccc1C(F)(F)F)C(=O)Cc1noc2ccccc21 ZINC000031088243 564035835 /nfs/dbraw/zinc/03/58/35/564035835.db2.gz RGOSHSTVYDQTHO-UHFFFAOYSA-N 0 0 348.324 4.048 50 0 EIAARN C/C=C/c1cc(C(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1OC ZINC000032841383 564036253 /nfs/dbraw/zinc/03/62/53/564036253.db2.gz PHCOKXGBAZBHQI-GPAKFWEMSA-N 0 0 337.419 4.328 50 0 EIAARN CN(C(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1)C1CCCCC1 ZINC000024971612 564036886 /nfs/dbraw/zinc/03/68/86/564036886.db2.gz FULNDCYTCGTHHA-UHFFFAOYSA-N 0 0 347.459 4.099 50 0 EIAARN CC(C)c1cc(CN(C)C(=O)c2ccccc2C(F)(F)F)on1 ZINC000223261068 564039437 /nfs/dbraw/zinc/03/94/37/564039437.db2.gz PZPICLVHZBCTFY-UHFFFAOYSA-N 0 0 326.318 4.089 50 0 EIAARN Cc1ccc(/C=C\C(=O)NN(Cc2ccccc2)c2ccccc2)o1 ZINC000096035479 564046002 /nfs/dbraw/zinc/04/60/02/564046002.db2.gz CNHGGTIDXPNYRV-PFONDFGASA-N 0 0 332.403 4.339 50 0 EIAARN Fc1ccc(N2CC[C@H](CNc3ncc(Cl)cc3Cl)C2)cc1 ZINC000225516341 564047465 /nfs/dbraw/zinc/04/74/65/564047465.db2.gz JVHLJRUHEGNUEU-LLVKDONJSA-N 0 0 340.229 4.466 50 0 EIAARN Brc1cccnc1NCc1coc(-c2cccs2)n1 ZINC000225650870 564048992 /nfs/dbraw/zinc/04/89/92/564048992.db2.gz MPIOUHBAIQTGGT-UHFFFAOYSA-N 0 0 336.214 4.173 50 0 EIAARN CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000225690389 564049420 /nfs/dbraw/zinc/04/94/20/564049420.db2.gz CXOOGOJXUAEVCE-ZFWWWQNUSA-N 0 0 325.399 4.477 50 0 EIAARN COC(=O)c1cc(-c2ccccc2)nc2c1cnn2-c1ccccc1F ZINC000012396019 564050175 /nfs/dbraw/zinc/05/01/75/564050175.db2.gz WRBJHARLVJRNAO-UHFFFAOYSA-N 0 0 347.349 4.013 50 0 EIAARN C[C@@H](CN(C)C(=O)c1ccccc1)c1nc(-c2cccn2C)cs1 ZINC000182177859 564051264 /nfs/dbraw/zinc/05/12/64/564051264.db2.gz KDONOMCVNUKCMS-AWEZNQCLSA-N 0 0 339.464 4.024 50 0 EIAARN Cc1cccc(C)c1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O ZINC000239339265 564051594 /nfs/dbraw/zinc/05/15/94/564051594.db2.gz LXMXXHOFCGOTQV-IPMKNSEASA-N 0 0 333.431 4.377 50 0 EIAARN CCCc1occc1C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000240278375 564051752 /nfs/dbraw/zinc/05/17/52/564051752.db2.gz DQUMJXZBAUXHCA-UHFFFAOYSA-N 0 0 345.449 4.487 50 0 EIAARN CCc1noc(C)c1NC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000241231096 564051902 /nfs/dbraw/zinc/05/19/02/564051902.db2.gz KRYWCFUSXMJTIP-GFCCVEGCSA-N 0 0 349.381 4.235 50 0 EIAARN C[C@H](C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccnc1 ZINC000241301060 564051937 /nfs/dbraw/zinc/05/19/37/564051937.db2.gz LPZYWAYLIYLJKN-NUTKFTJISA-N 0 0 348.368 4.266 50 0 EIAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cc2c(s1)CCCC2 ZINC000025109933 564053309 /nfs/dbraw/zinc/05/33/09/564053309.db2.gz LVXGFLGRWXWANR-CYBMUJFWSA-N 0 0 329.465 4.469 50 0 EIAARN Cc1ccccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000947350 564053635 /nfs/dbraw/zinc/05/36/35/564053635.db2.gz GUMXURPMZUKHQN-UHFFFAOYSA-N 0 0 343.839 4.343 50 0 EIAARN O=c1c(/C=C2\COc3ccc(Cl)cc3C2=O)coc2ccccc12 ZINC000000988387 564053912 /nfs/dbraw/zinc/05/39/12/564053912.db2.gz NYNJXYYSLNHQGD-KPKJPENVSA-N 0 0 338.746 4.105 50 0 EIAARN O=C(Nc1nnc(C(F)(F)F)s1)c1csc2ccccc12 ZINC000001054425 564054206 /nfs/dbraw/zinc/05/42/06/564054206.db2.gz GNGWRLDZAJZPEB-UHFFFAOYSA-N 0 0 329.328 4.024 50 0 EIAARN Cc1cc2nc(SC[C@@H](O)c3ccccc3)c3ccccc3n2n1 ZINC000052427104 564054275 /nfs/dbraw/zinc/05/42/75/564054275.db2.gz HDZTXMCTUXSPSQ-QGZVFWFLSA-N 0 0 335.432 4.017 50 0 EIAARN Cc1c(NC(=O)C[C@H](C)c2ccccc2F)cnn1-c1ccccc1 ZINC000129187372 564054321 /nfs/dbraw/zinc/05/43/21/564054321.db2.gz VGCQIJHMFLXPOL-AWEZNQCLSA-N 0 0 337.398 4.452 50 0 EIAARN O=C(Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C1CCCCC1 ZINC000001105762 564054502 /nfs/dbraw/zinc/05/45/02/564054502.db2.gz OBMXZFXPUWSWCZ-UHFFFAOYSA-N 0 0 340.297 4.298 50 0 EIAARN S=C1N=NC(Cc2c[nH]c3ccccc23)N1c1ccccc1Cl ZINC000005814172 564056031 /nfs/dbraw/zinc/05/60/31/564056031.db2.gz FKNFRVQZHURJPH-UHFFFAOYSA-N 0 0 340.839 4.282 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CCSc2ccccc2F)c1C ZINC000025601350 564056439 /nfs/dbraw/zinc/05/64/39/564056439.db2.gz IVHRFVLTQBAJFG-UHFFFAOYSA-N 0 0 346.427 4.213 50 0 EIAARN COc1ccc(CSc2nnc(-c3ccc(C)cc3)o2)cc1F ZINC000005863495 564056706 /nfs/dbraw/zinc/05/67/06/564056706.db2.gz LUPJVMVFOLAYCA-UHFFFAOYSA-N 0 0 330.384 4.485 50 0 EIAARN Cn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccco1 ZINC000005864127 564056722 /nfs/dbraw/zinc/05/67/22/564056722.db2.gz LHPFRRCOJJWMLC-UHFFFAOYSA-N 0 0 338.392 4.022 50 0 EIAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000005864387 564056739 /nfs/dbraw/zinc/05/67/39/564056739.db2.gz JGRRJPHGXMXHDH-UHFFFAOYSA-N 0 0 340.404 4.124 50 0 EIAARN CC1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000005977721 564057377 /nfs/dbraw/zinc/05/73/77/564057377.db2.gz NZGKMTPXFHSSNY-UHFFFAOYSA-N 0 0 334.769 4.029 50 0 EIAARN Cc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc(C)c1C ZINC000005980961 564057440 /nfs/dbraw/zinc/05/74/40/564057440.db2.gz WLRSXSBMSDQVEF-UHFFFAOYSA-N 0 0 330.497 4.279 50 0 EIAARN CC[C@H](C)c1ccccc1NS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000006005573 564057574 /nfs/dbraw/zinc/05/75/74/564057574.db2.gz MWRCMDQJFIVWLV-ZDUSSCGKSA-N 0 0 331.437 4.204 50 0 EIAARN COC(=O)c1ccc(CSc2nccn2-c2ccc(C)cc2C)o1 ZINC000006025218 564057638 /nfs/dbraw/zinc/05/76/38/564057638.db2.gz LZJJXGCIPZNCDQ-UHFFFAOYSA-N 0 0 342.420 4.161 50 0 EIAARN Cc1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 ZINC000006035631 564057723 /nfs/dbraw/zinc/05/77/23/564057723.db2.gz PEHJUWOYCTVAFO-UHFFFAOYSA-N 0 0 326.377 4.066 50 0 EIAARN CC(C)c1ccc(CN(C(=O)CCOCC(F)(F)F)C2CC2)cc1 ZINC000058698923 564057762 /nfs/dbraw/zinc/05/77/62/564057762.db2.gz QFJQKOBGMFMBOZ-UHFFFAOYSA-N 0 0 343.389 4.270 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)cc1F ZINC000003895685 564057897 /nfs/dbraw/zinc/05/78/97/564057897.db2.gz LWYOODDIEAGQFQ-RWKZGTHUSA-N 0 0 348.462 4.040 50 0 EIAARN CC(C)(C)C(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012486796 564058033 /nfs/dbraw/zinc/05/80/33/564058033.db2.gz QIDGXUMBRJBSKY-UHFFFAOYSA-N 0 0 348.402 4.069 50 0 EIAARN COc1ccc2c(CNc3cccc(C(F)(F)F)c3)cc(=O)oc2c1 ZINC000002120125 564058352 /nfs/dbraw/zinc/05/83/52/564058352.db2.gz BNBDZWQQSXBABJ-UHFFFAOYSA-N 0 0 349.308 4.433 50 0 biogenic EIAARN O=C(c1ccc(F)cc1)[C@H](O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003212857 564058496 /nfs/dbraw/zinc/05/84/96/564058496.db2.gz GEOAWIDMZMOWMO-AWEZNQCLSA-N 0 0 347.695 4.111 50 0 EIAARN c1cn(C2CC2)c(Sc2nc(-c3cccnc3)nc3ccccc32)n1 ZINC000012538862 564058517 /nfs/dbraw/zinc/05/85/17/564058517.db2.gz ZKZNAUWTADVEPM-UHFFFAOYSA-N 0 0 345.431 4.374 50 0 EIAARN COc1ccc(C(=O)N(c2ccccn2)C2CCCCC2)c(OC)c1 ZINC000012541310 564058673 /nfs/dbraw/zinc/05/86/73/564058673.db2.gz HOBJTLGMBYMLQH-UHFFFAOYSA-N 0 0 340.423 4.078 50 0 EIAARN CCCc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 ZINC000012540731 564058700 /nfs/dbraw/zinc/05/87/00/564058700.db2.gz VASUPCSYYVCRDN-UHFFFAOYSA-N 0 0 344.436 4.318 50 0 EIAARN CCN(C(=O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000003276159 564058903 /nfs/dbraw/zinc/05/89/03/564058903.db2.gz JSQAIEVQMQTGEN-UHFFFAOYSA-N 0 0 339.435 4.194 50 0 EIAARN CC1(C)Cc2cccc(OC(=O)c3ccc(Br)cc3)c2O1 ZINC000003287110 564059031 /nfs/dbraw/zinc/05/90/31/564059031.db2.gz CMWVMZCZSFGBEO-UHFFFAOYSA-N 0 0 347.208 4.382 50 0 EIAARN COc1ccc(CNC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000003316198 564059194 /nfs/dbraw/zinc/05/91/94/564059194.db2.gz QEELNNARVGCVHO-UHFFFAOYSA-N 0 0 333.387 4.418 50 0 EIAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000003352818 564059427 /nfs/dbraw/zinc/05/94/27/564059427.db2.gz YVNLRMFVYWBKMF-LBPRGKRZSA-N 0 0 348.830 4.186 50 0 EIAARN Cc1sc2nc(-c3cccnc3)nc(NCc3ccncc3)c2c1C ZINC000003408615 564059558 /nfs/dbraw/zinc/05/95/58/564059558.db2.gz BGIIHMSUECQIQK-UHFFFAOYSA-N 0 0 347.447 4.377 50 0 EIAARN O=C(c1cc(Nc2ccccc2)c2ccccc2n1)N1CCSCC1 ZINC000044169619 564059618 /nfs/dbraw/zinc/05/96/18/564059618.db2.gz WRRZVOATOAZQSC-UHFFFAOYSA-N 0 0 349.459 4.167 50 0 EIAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000003430078 564059619 /nfs/dbraw/zinc/05/96/19/564059619.db2.gz CEHHZOAZYFYMJG-UHFFFAOYSA-N 0 0 329.739 4.376 50 0 EIAARN CC(C)OC(=O)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000044168162 564059631 /nfs/dbraw/zinc/05/96/31/564059631.db2.gz WCIIRDYGYZQMAA-UHFFFAOYSA-N 0 0 341.794 4.209 50 0 EIAARN Cc1cccc(-c2csc3c2ncn(Cc2ccccc2)c3=O)c1 ZINC000044166745 564059632 /nfs/dbraw/zinc/05/96/32/564059632.db2.gz HOAMPBDUECMZKZ-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN COc1ccccc1OCCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000003445931 564059668 /nfs/dbraw/zinc/05/96/68/564059668.db2.gz DTIMIIJXFSUASO-UHFFFAOYSA-N 0 0 339.313 4.122 50 0 EIAARN CCN(CCNC(=O)c1oc2ccccc2c1C)c1cccc(C)c1 ZINC000012564784 564059707 /nfs/dbraw/zinc/05/97/07/564059707.db2.gz HQHVEHHQPRZDBR-UHFFFAOYSA-N 0 0 336.435 4.306 50 0 EIAARN CCN1CCc2nc3ccccc3c(C(=O)Nc3ccccc3C)c2C1 ZINC000012568811 564059796 /nfs/dbraw/zinc/05/97/96/564059796.db2.gz UCYRIZWNIBNWGW-UHFFFAOYSA-N 0 0 345.446 4.174 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CN1c2ccccc2C[C@@H]1C ZINC000003536932 564059920 /nfs/dbraw/zinc/05/99/20/564059920.db2.gz WAZCBQXRSYKZJA-ZDUSSCGKSA-N 0 0 344.842 4.047 50 0 EIAARN COc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000003554617 564059945 /nfs/dbraw/zinc/05/99/45/564059945.db2.gz ALIZNYDFPXXSOU-UHFFFAOYSA-N 0 0 346.358 4.349 50 0 EIAARN Cc1cc(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc12 ZINC000003571261 564059987 /nfs/dbraw/zinc/05/99/87/564059987.db2.gz KQANEFJPRAXHHS-UHFFFAOYSA-N 0 0 343.839 4.322 50 0 EIAARN CCOC(=O)C[C@@H](NC(=O)c1cccc(C)c1)c1ccccc1Cl ZINC000003622650 564060073 /nfs/dbraw/zinc/06/00/73/564060073.db2.gz CFAYWWVIQWWBHW-QGZVFWFLSA-N 0 0 345.826 4.073 50 0 EIAARN Cc1ccc(C)c([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 ZINC000012592553 564060258 /nfs/dbraw/zinc/06/02/58/564060258.db2.gz HPZIMOKHXZNBFJ-OXJNMPFZSA-N 0 0 336.435 4.049 50 0 EIAARN Cc1cccnc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000012595117 564060283 /nfs/dbraw/zinc/06/02/83/564060283.db2.gz BIQCPSQTXBQOGN-UHFFFAOYSA-N 0 0 337.427 4.091 50 0 EIAARN COc1ccc(N[C@@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 ZINC000003880779 564060309 /nfs/dbraw/zinc/06/03/09/564060309.db2.gz JCMQLWPRURKMRA-NRFANRHFSA-N 0 0 331.371 4.179 50 0 EIAARN CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccc1F ZINC000003895846 564060310 /nfs/dbraw/zinc/06/03/10/564060310.db2.gz MAXUPAXXRFAVFA-JTTJXQCZSA-N 0 0 348.462 4.121 50 0 EIAARN Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1C ZINC000012618987 564060675 /nfs/dbraw/zinc/06/06/75/564060675.db2.gz MJRAHMZZWQUFBQ-UHFFFAOYSA-N 0 0 349.409 4.369 50 0 EIAARN COC1=CC2=CC[C@@H]3[C@H]4CC[C@]5(CO5)[C@@]4(C)CC(=O)[C@H]3[C@@]2(C)CC1 ZINC000004024204 564061095 /nfs/dbraw/zinc/06/10/95/564061095.db2.gz AKWAWNXESMOSLR-HDHGSYJOSA-N 0 0 328.452 4.037 50 0 biogenic EIAARN C=C1C[C@H]2[C@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000004025777 564061147 /nfs/dbraw/zinc/06/11/47/564061147.db2.gz JKPFAFOFFYRBDB-BLQYKRGGSA-N 0 0 342.479 4.005 50 0 biogenic EIAARN Cc1ccccc1-n1c(/C=C/c2ccccn2)nc2ccccc2c1=O ZINC000004217322 564061564 /nfs/dbraw/zinc/06/15/64/564061564.db2.gz MYGZNGAHFWOCLI-BUHFOSPRSA-N 0 0 339.398 4.260 50 0 in-man EIAARN CC[C@@H](C)NC(=O)CSc1c2ccccc2nc2c1CCCC2 ZINC000004038916 564061649 /nfs/dbraw/zinc/06/16/49/564061649.db2.gz AIDBRCVGTTYMAG-CYBMUJFWSA-N 0 0 328.481 4.120 50 0 EIAARN Cc1ccc(/C=C/c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1 ZINC000004060007 564061729 /nfs/dbraw/zinc/06/17/29/564061729.db2.gz MLAWQUOXQLKZAF-ZHACJKMWSA-N 0 0 336.822 4.424 50 0 EIAARN Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000004072174 564061799 /nfs/dbraw/zinc/06/17/99/564061799.db2.gz SQLVNNSUFQXGTF-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CC(C)C[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)n1cccc1 ZINC000263588520 564061936 /nfs/dbraw/zinc/06/19/36/564061936.db2.gz VGGQUEZWKJOJRR-LJQANCHMSA-N 0 0 341.430 4.055 50 0 EIAARN Cc1csc(C2(NCc3noc(-c4ccccc4)n3)CCCC2)n1 ZINC000083215850 564062042 /nfs/dbraw/zinc/06/20/42/564062042.db2.gz JHUVZOHRPWLNJN-UHFFFAOYSA-N 0 0 340.452 4.061 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1ccc(-c2nnco2)cc1 ZINC000012684498 564062641 /nfs/dbraw/zinc/06/26/41/564062641.db2.gz YIWGAJDTSGWNSJ-ZDUSSCGKSA-N 0 0 347.374 4.177 50 0 EIAARN CCCn1c(=O)c2c([nH]c1=S)-c1ccccc1CC21CCCC1 ZINC000001248207 564062698 /nfs/dbraw/zinc/06/26/98/564062698.db2.gz GWEKNFAIHANUHW-UHFFFAOYSA-N 0 0 326.465 4.351 50 0 EIAARN CCOc1ccccc1NC(=O)CSc1c[nH]c2ccccc12 ZINC000004108480 564062819 /nfs/dbraw/zinc/06/28/19/564062819.db2.gz WZUPNNPINBXARI-UHFFFAOYSA-N 0 0 326.421 4.297 50 0 EIAARN c1nc(SCc2noc(C3CC3)n2)n(C2CC2)c1-c1ccccc1 ZINC000052891640 564063034 /nfs/dbraw/zinc/06/30/34/564063034.db2.gz PEOXVIFYTAUALT-UHFFFAOYSA-N 0 0 338.436 4.438 50 0 EIAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(N3CCCC3)s2)cc1C ZINC000052911709 564063087 /nfs/dbraw/zinc/06/30/87/564063087.db2.gz DIMXMADTQAAXQV-ZDUSSCGKSA-N 0 0 347.509 4.119 50 0 EIAARN O=C(c1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001326705 564063197 /nfs/dbraw/zinc/06/31/97/564063197.db2.gz DHZQEHXRYYNGPW-UHFFFAOYSA-N 0 0 340.423 4.455 50 0 EIAARN Cc1noc([C@@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000052993770 564063477 /nfs/dbraw/zinc/06/34/77/564063477.db2.gz QLPWQUWDYKRJDC-SNVBAGLBSA-N 0 0 346.818 4.113 50 0 EIAARN O=C(CC1CCCCC1)NCCc1csc(-c2ccccc2)n1 ZINC000004166956 564063799 /nfs/dbraw/zinc/06/37/99/564063799.db2.gz FTUNDHQMZBQXSK-UHFFFAOYSA-N 0 0 328.481 4.439 50 0 EIAARN COC(=O)[C@@H](OC(=O)c1ccsc1)c1cc(Cl)cc(Cl)c1 ZINC000083884315 564064209 /nfs/dbraw/zinc/06/42/09/564064209.db2.gz JSJUPINWUCLZAK-LBPRGKRZSA-N 0 0 345.203 4.126 50 0 EIAARN Cn1nc(-c2ccccc2)c(COC(=O)Nc2ccccc2)c1Cl ZINC000001388794 564064344 /nfs/dbraw/zinc/06/43/44/564064344.db2.gz RTCLJHRJMBOLLL-UHFFFAOYSA-N 0 0 341.798 4.489 50 0 EIAARN O=c1[nH]nc(CNc2ccc(Oc3ccccc3)cc2)c2ccccc12 ZINC000001390969 564064503 /nfs/dbraw/zinc/06/45/03/564064503.db2.gz IRXYPYACXMUDGH-UHFFFAOYSA-N 0 0 343.386 4.328 50 0 EIAARN Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccncc2)c1 ZINC000012736388 564064697 /nfs/dbraw/zinc/06/46/97/564064697.db2.gz XXCJDQXRTSWGRK-UHFFFAOYSA-N 0 0 335.432 4.497 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ccncc2)n1 ZINC000001397261 564064724 /nfs/dbraw/zinc/06/47/24/564064724.db2.gz BJTINXXCVKUILA-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN O=C(Nc1ccccc1C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000012739074 564064749 /nfs/dbraw/zinc/06/47/49/564064749.db2.gz NZAGECFOXPZBOQ-UHFFFAOYSA-N 0 0 334.350 4.330 50 0 EIAARN COc1ccc2cc(C(=O)NCc3ccc(-c4ccccc4)o3)[nH]c2c1 ZINC000083970286 564065455 /nfs/dbraw/zinc/06/54/55/564065455.db2.gz YMTKIEMTFPBWGX-UHFFFAOYSA-N 0 0 346.386 4.367 50 0 EIAARN O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000083991829 564065653 /nfs/dbraw/zinc/06/56/53/564065653.db2.gz FEJIBIUWVHWYOD-GOSISDBHSA-N 0 0 336.391 4.047 50 0 EIAARN Cc1ccc(-c2csc(CCNC(=O)Nc3ccccc3)n2)cc1 ZINC000001415143 564065912 /nfs/dbraw/zinc/06/59/12/564065912.db2.gz QMVVTNOLQIZUCT-UHFFFAOYSA-N 0 0 337.448 4.483 50 0 EIAARN COc1ccc(CN(C)Cc2cc(-c3cccs3)on2)cc1F ZINC000053096900 564066133 /nfs/dbraw/zinc/06/61/33/564066133.db2.gz MQUILDKXROADFP-UHFFFAOYSA-N 0 0 332.400 4.183 50 0 EIAARN Cc1cc(CSc2ccccc2C(=O)N2C[C@H]3CCC[C@@H]3C2)on1 ZINC000084124432 564066779 /nfs/dbraw/zinc/06/67/79/564066779.db2.gz MEVXLCZQMHSCCB-HUUCEWRRSA-N 0 0 342.464 4.147 50 0 EIAARN CC(C)(C)[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)c1cccs1 ZINC000084169268 564067115 /nfs/dbraw/zinc/06/71/15/564067115.db2.gz PYZVIXRXAGVXND-KRWDZBQOSA-N 0 0 339.464 4.451 50 0 EIAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000012758069 564067276 /nfs/dbraw/zinc/06/72/76/564067276.db2.gz BRXYPZHOVMGVPL-OAQYLSRUSA-N 0 0 345.446 4.169 50 0 EIAARN C[C@H](NC(=O)c1cc(F)ccc1Br)c1cccs1 ZINC000012759825 564067280 /nfs/dbraw/zinc/06/72/80/564067280.db2.gz AHRZAHLNOQYFHW-QMMMGPOBSA-N 0 0 328.206 4.141 50 0 EIAARN Cc1nc2ccc(NC(=O)C3=Cc4cc(Cl)ccc4OC3)cc2o1 ZINC000084290309 564067708 /nfs/dbraw/zinc/06/77/08/564067708.db2.gz QSMUNRFOMHVXKE-UHFFFAOYSA-N 0 0 340.766 4.204 50 0 EIAARN COc1cc(OC)cc(C(=O)O[C@H](CC(C)C)c2ccccn2)c1 ZINC000084509948 564068388 /nfs/dbraw/zinc/06/83/88/564068388.db2.gz YFTLTVQGTFLIAT-GOSISDBHSA-N 0 0 329.396 4.043 50 0 EIAARN O=C([C@H]1CC(c2ccccc2)=NO1)N(Cc1ccco1)c1ccccc1 ZINC000084525281 564068447 /nfs/dbraw/zinc/06/84/47/564068447.db2.gz KDQCOUOALISNCF-HXUWFJFHSA-N 0 0 346.386 4.006 50 0 EIAARN O=C(Nc1cccc(N2CCCC2)c1)N[C@@H]1CCCc2ccccc21 ZINC000084581923 564068816 /nfs/dbraw/zinc/06/88/16/564068816.db2.gz ZNGAWYSDZRQTGO-HXUWFJFHSA-N 0 0 335.451 4.486 50 0 EIAARN c1nc(-c2ncccn2)sc1-c1nc(-c2cc3ccccc3o2)no1 ZINC000084594991 564068851 /nfs/dbraw/zinc/06/88/51/564068851.db2.gz NXGHWCSMJHYZSS-UHFFFAOYSA-N 0 0 347.359 4.063 50 0 EIAARN CCC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000012772672 564069078 /nfs/dbraw/zinc/06/90/78/564069078.db2.gz IUGKBKCUDQJTMI-INIZCTEOSA-N 0 0 347.340 4.197 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3nnc(C(C)C)s3)cs2)cc1 ZINC000012780877 564069966 /nfs/dbraw/zinc/06/99/66/564069966.db2.gz MFJGINIZBFNZKD-UHFFFAOYSA-N 0 0 344.465 4.346 50 0 EIAARN Cc1ccc([C@@H](NC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 ZINC000012781748 564070022 /nfs/dbraw/zinc/07/00/22/564070022.db2.gz LDMCBVUDMMNGAA-LJQANCHMSA-N 0 0 348.450 4.202 50 0 EIAARN Cc1cc(C)c2c(n1)sc1c2N[C@@H](C)N(c2ccccc2F)C1=O ZINC000015670732 564070444 /nfs/dbraw/zinc/07/04/44/564070444.db2.gz JMOLYXSTNNXSQN-LLVKDONJSA-N 0 0 341.411 4.471 50 0 EIAARN CN(C(=O)c1noc2c1CSc1ccccc1-2)c1ccc(F)cc1 ZINC000015674023 564070534 /nfs/dbraw/zinc/07/05/34/564070534.db2.gz CAXVKALAQBKHHJ-UHFFFAOYSA-N 0 0 340.379 4.363 50 0 EIAARN Cc1cc(-n2c(=O)c3ccccc3[nH]c2=S)ccc1Br ZINC000000099401 564074489 /nfs/dbraw/zinc/07/44/89/564074489.db2.gz JZUASXQNZCDILO-UHFFFAOYSA-N 0 0 347.237 4.119 50 0 EIAARN COC(=O)c1c(C)n(Cc2ccccc2Cl)c2ccc(O)cc21 ZINC000001440019 564070659 /nfs/dbraw/zinc/07/06/59/564070659.db2.gz PQKROUMUNBTZFV-UHFFFAOYSA-N 0 0 329.783 4.144 50 0 EIAARN CC1=C(C(=O)Nc2cccc(C)c2C)C2(CCC(C)CC2)OC1=O ZINC000005058729 564071424 /nfs/dbraw/zinc/07/14/24/564071424.db2.gz XOLGORWGKMZIPE-UHFFFAOYSA-N 0 0 327.424 4.064 50 0 EIAARN COc1ccc(F)cc1C[S@@](=O)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000085224254 564072261 /nfs/dbraw/zinc/07/22/61/564072261.db2.gz XGYKIVKLRMDUPD-BGJPBQGDSA-N 0 0 339.432 4.130 50 0 EIAARN CCOC(=O)c1c(C)oc2nc(C)nc(Nc3ccc(Cl)cc3)c21 ZINC000015727431 564072384 /nfs/dbraw/zinc/07/23/84/564072384.db2.gz IQIHLHFPYSMFSO-UHFFFAOYSA-N 0 0 345.786 4.413 50 0 EIAARN COC(=O)c1cccc(CSc2cc(-c3ccccc3)ncn2)c1 ZINC000011903040 564072937 /nfs/dbraw/zinc/07/29/37/564072937.db2.gz VZCILIQXZYJZOE-UHFFFAOYSA-N 0 0 336.416 4.223 50 0 EIAARN CCCCCc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1 ZINC000015741289 564072945 /nfs/dbraw/zinc/07/29/45/564072945.db2.gz WCBRTMRHLBRXQC-UHFFFAOYSA-N 0 0 338.451 4.178 50 0 EIAARN CCCc1sc(C(=O)N2CCC[C@@H](C)C2)cc1Br ZINC000001459127 564072990 /nfs/dbraw/zinc/07/29/90/564072990.db2.gz GHBNHSGVMCWYJN-SNVBAGLBSA-N 0 0 330.291 4.335 50 0 EIAARN CC(C)Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C ZINC000012814295 564073140 /nfs/dbraw/zinc/07/31/40/564073140.db2.gz FJHMWZNQVVYTOA-UHFFFAOYSA-N 0 0 334.441 4.302 50 0 EIAARN CC(C)c1nnc(SCCOc2cccc(Br)c2)o1 ZINC000012815411 564073166 /nfs/dbraw/zinc/07/31/66/564073166.db2.gz VCYBSTJRGCYYSP-UHFFFAOYSA-N 0 0 343.246 4.127 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCC[C@H](O)c1ccccc1 ZINC000085436450 564073213 /nfs/dbraw/zinc/07/32/13/564073213.db2.gz RMDQNHRKBIVQKX-QFIPXVFZSA-N 0 0 345.442 4.136 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000085436391 564073236 /nfs/dbraw/zinc/07/32/36/564073236.db2.gz YVOAMJUQIJSIRH-UHFFFAOYSA-N 0 0 340.471 4.125 50 0 EIAARN COc1cccc(-c2noc(Nc3cc(C)cc(C)c3)n2)c1OC ZINC000015770828 564073730 /nfs/dbraw/zinc/07/37/30/564073730.db2.gz GEDKZVCXKIJYAA-UHFFFAOYSA-N 0 0 325.368 4.114 50 0 EIAARN Cc1csc(NC(=O)C[C@H](c2cccc(F)c2)n2cccc2)n1 ZINC000015771179 564073738 /nfs/dbraw/zinc/07/37/38/564073738.db2.gz UZIMGZIMOFICHO-OAHLLOKOSA-N 0 0 329.400 4.010 50 0 EIAARN O=C(CC1CCCC1)NCc1ccc([C@@H](O)c2cccs2)s1 ZINC000085562169 564074032 /nfs/dbraw/zinc/07/40/32/564074032.db2.gz VFVARJZZLMOHOU-KRWDZBQOSA-N 0 0 335.494 4.088 50 0 EIAARN Cc1cccc(Nc2nc(C(=O)NC3CCCC3)nc3ccccc32)c1 ZINC000015784153 564074181 /nfs/dbraw/zinc/07/41/81/564074181.db2.gz LOMHLIDRMHCYTR-UHFFFAOYSA-N 0 0 346.434 4.354 50 0 EIAARN CC(C)n1nccc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129902095 564075047 /nfs/dbraw/zinc/07/50/47/564075047.db2.gz QGKKWWJLHPWWSH-INIZCTEOSA-N 0 0 339.439 4.030 50 0 EIAARN COc1cc(C(=O)Nc2ccccc2C(C)C)cc(OC)c1OC ZINC000000044857 564075145 /nfs/dbraw/zinc/07/51/45/564075145.db2.gz VNKUUKSPNWBREU-UHFFFAOYSA-N 0 0 329.396 4.088 50 0 EIAARN C[C@H](c1ccccn1)N(C(=O)NC[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000086396431 564075626 /nfs/dbraw/zinc/07/56/26/564075626.db2.gz QYLCXFPIMIRXQI-HHXXYDBFSA-N 0 0 335.451 4.120 50 0 EIAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nncs1 ZINC000012858430 564075658 /nfs/dbraw/zinc/07/56/58/564075658.db2.gz JRIAMZKIGPTYEH-UHFFFAOYSA-N 0 0 337.429 4.198 50 0 EIAARN S=c1scnn1CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012863760 564075810 /nfs/dbraw/zinc/07/58/10/564075810.db2.gz CIJRNEOMLAVZDP-OAHLLOKOSA-N 0 0 345.518 4.341 50 0 EIAARN Cc1cccc2sc(NC(=O)COc3ccc(Cl)cc3)nc21 ZINC000001518611 564075821 /nfs/dbraw/zinc/07/58/21/564075821.db2.gz JOYCAQPWMAMARD-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000012865786 564075831 /nfs/dbraw/zinc/07/58/31/564075831.db2.gz SUQSWCUSZRKLPV-ZIAGYGMSSA-N 0 0 332.394 4.346 50 0 EIAARN O=C(CNc1ccc(Cl)cc1F)N1CCSc2ccccc21 ZINC000012866012 564075845 /nfs/dbraw/zinc/07/58/45/564075845.db2.gz GNFYIGOYIDEGPX-UHFFFAOYSA-N 0 0 336.819 4.030 50 0 EIAARN c1ccc([Si](c2ccccc2)(c2ccccc2)[C@@H]2C=CCCC2)cc1 ZINC000169817505 564076389 /nfs/dbraw/zinc/07/63/89/564076389.db2.gz SHHIQDXWGMPYFB-XMMPIXPASA-N 0 0 340.542 4.267 50 0 EIAARN O=C(CN1CC=C(c2c[nH]c3ccccc32)CC1)Nc1cccc(F)c1 ZINC000012877210 564076623 /nfs/dbraw/zinc/07/66/23/564076623.db2.gz RQQDGQQYGICWHI-UHFFFAOYSA-N 0 0 349.409 4.035 50 0 EIAARN Cc1cccc(CNC(=O)Cc2scnc2-c2cccs2)c1 ZINC000015840243 564076660 /nfs/dbraw/zinc/07/66/60/564076660.db2.gz VIPBJBMCTWBVMU-UHFFFAOYSA-N 0 0 328.462 4.039 50 0 EIAARN COC[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC000186215025 564076815 /nfs/dbraw/zinc/07/68/15/564076815.db2.gz YZVYLHCCYVJSPE-GFCCVEGCSA-N 0 0 347.720 4.069 50 0 EIAARN CCOC(=O)c1cc(-c2ccc(F)cc2)nn1-c1ccc(C)cc1C ZINC000006155036 564076879 /nfs/dbraw/zinc/07/68/79/564076879.db2.gz TXQRQGGCLAXQCX-UHFFFAOYSA-N 0 0 338.382 4.472 50 0 EIAARN CCOc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006155598 564076900 /nfs/dbraw/zinc/07/69/00/564076900.db2.gz WSOYRFHPKJQNTM-VMPITWQZSA-N 0 0 325.452 4.184 50 0 EIAARN COc1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000012883638 564077493 /nfs/dbraw/zinc/07/74/93/564077493.db2.gz GNAOWUIHEUQVBU-CYBMUJFWSA-N 0 0 339.391 4.283 50 0 EIAARN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000015894336 564077544 /nfs/dbraw/zinc/07/75/44/564077544.db2.gz ICMWWNHDUZJFDW-GNXQTJHESA-N 0 0 332.484 4.401 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CCSc3c(F)cccc32)c1 ZINC000012899626 564077677 /nfs/dbraw/zinc/07/76/77/564077677.db2.gz BMFYQJFYZDKKFP-GUYCJALGSA-N 0 0 345.439 4.255 50 0 EIAARN C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1 ZINC000012905809 564077824 /nfs/dbraw/zinc/07/78/24/564077824.db2.gz BKSKYJLWHXHNLI-GFCCVEGCSA-N 0 0 342.826 4.180 50 0 EIAARN COc1ccccc1NC(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000012908052 564077935 /nfs/dbraw/zinc/07/79/35/564077935.db2.gz MIPNTVBGMXPWKI-ZDUSSCGKSA-N 0 0 332.400 4.193 50 0 EIAARN C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000012914750 564078040 /nfs/dbraw/zinc/07/80/40/564078040.db2.gz LYSQVHZZZNXLEL-VIFPVBQESA-N 0 0 338.190 4.213 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000012916452 564078081 /nfs/dbraw/zinc/07/80/81/564078081.db2.gz BPFUBFBRZYYCEU-UHFFFAOYSA-N 0 0 341.407 4.278 50 0 EIAARN CN(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccccc1 ZINC000012921834 564078344 /nfs/dbraw/zinc/07/83/44/564078344.db2.gz JDAOMLCADXAIES-UHFFFAOYSA-N 0 0 349.409 4.167 50 0 EIAARN CCOc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1 ZINC000012924646 564078471 /nfs/dbraw/zinc/07/84/71/564078471.db2.gz NLDUTJFNEFISQA-UHFFFAOYSA-N 0 0 335.407 4.140 50 0 EIAARN Cc1ccccc1[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000012926190 564078542 /nfs/dbraw/zinc/07/85/42/564078542.db2.gz XCYVJJQIPLBVSQ-MRXNPFEDSA-N 0 0 335.447 4.324 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@@H]1CC1(Cl)Cl ZINC000088262217 564078746 /nfs/dbraw/zinc/07/87/46/564078746.db2.gz PGPWQBRICXVEEX-LSDHHAIUSA-N 0 0 338.209 4.225 50 0 EIAARN CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000074644508 564078922 /nfs/dbraw/zinc/07/89/22/564078922.db2.gz WHDQVLNCNWLBMH-FQEVSTJZSA-N 0 0 336.435 4.103 50 0 EIAARN Cc1csc([C@H](NC(=O)N(Cc2ccccc2)C2CC2)C2CC2)n1 ZINC000074669092 564078949 /nfs/dbraw/zinc/07/89/49/564078949.db2.gz ZGHVQZRQVDUPIP-QGZVFWFLSA-N 0 0 341.480 4.277 50 0 EIAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)NCC4CCC4)cc3)o2)c1 ZINC000026143812 564079268 /nfs/dbraw/zinc/07/92/68/564079268.db2.gz QVYJDQJQURYUIJ-UHFFFAOYSA-N 0 0 347.418 4.242 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1OC[C@@H]1CCCO1 ZINC000012937190 564079327 /nfs/dbraw/zinc/07/93/27/564079327.db2.gz IMGTWWKZSOWPHV-ZDUSSCGKSA-N 0 0 349.789 4.289 50 0 EIAARN O=C(NCCc1ccccc1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000575443534 564079538 /nfs/dbraw/zinc/07/95/38/564079538.db2.gz XIEGBQYYTDZAFS-UHFFFAOYSA-N 0 0 341.414 4.202 50 0 EIAARN COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1OC ZINC000006182244 564079571 /nfs/dbraw/zinc/07/95/71/564079571.db2.gz VADYGCRMHBRNAZ-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N(C)c1ccccc1 ZINC000121518995 564079605 /nfs/dbraw/zinc/07/96/05/564079605.db2.gz RJSZVZKTZRSQED-UHFFFAOYSA-N 0 0 325.799 4.315 50 0 EIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000012944525 564079666 /nfs/dbraw/zinc/07/96/66/564079666.db2.gz KPZAJDFFNZNPFG-UHFFFAOYSA-N 0 0 344.361 4.117 50 0 EIAARN CC[C@]1(c2ccccc2)O[C@H](C[C@@H](C)OC(C)=O)Nc2ccccc21 ZINC000075271750 564081333 /nfs/dbraw/zinc/08/13/33/564081333.db2.gz ADADRCVVEIDOTE-IPHXSNPTSA-N 0 0 339.435 4.450 50 0 EIAARN CCCCc1c(O)c2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2 ZINC000075272888 564081375 /nfs/dbraw/zinc/08/13/75/564081375.db2.gz BAWIOZXLWWGROM-UHFFFAOYSA-N 0 0 325.452 4.401 50 0 EIAARN C[C@@H](NC(=O)N1c2ccc(F)cc2C(=O)C[C@H]1C)c1ccccc1 ZINC000075273225 564081396 /nfs/dbraw/zinc/08/13/96/564081396.db2.gz BOQINRZPWSWRQM-CHWSQXEVSA-N 0 0 326.371 4.078 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1cccc(Cl)c1 ZINC000078978804 564081838 /nfs/dbraw/zinc/08/18/38/564081838.db2.gz LQMGRZIJGGVDEG-UHFFFAOYSA-N 0 0 347.823 4.277 50 0 EIAARN CC(C)c1ccc(-c2cc(-c3nc(-c4cccnc4)no3)n[nH]2)cc1 ZINC000075343497 564081936 /nfs/dbraw/zinc/08/19/36/564081936.db2.gz VZQRZYNUGZGBED-UHFFFAOYSA-N 0 0 331.379 4.312 50 0 EIAARN CC(C)c1ccc(-c2cc(-c3nc(-c4ccncc4)no3)n[nH]2)cc1 ZINC000075343499 564081961 /nfs/dbraw/zinc/08/19/61/564081961.db2.gz MXFFPWDEEQBQJH-UHFFFAOYSA-N 0 0 331.379 4.312 50 0 EIAARN Cc1c2cccc(Cl)c2oc1C(=O)OCC(=O)c1ccccc1 ZINC000007814603 564082167 /nfs/dbraw/zinc/08/21/67/564082167.db2.gz QRUNCJBTFCZRFK-UHFFFAOYSA-N 0 0 328.751 4.434 50 0 EIAARN O=C(NCc1ccc(-c2ccco2)o1)C1(c2ccc(F)cc2)CC1 ZINC000575609430 564082514 /nfs/dbraw/zinc/08/25/14/564082514.db2.gz UZSBDZVNHRKPIL-UHFFFAOYSA-N 0 0 325.339 4.027 50 0 EIAARN C[C@@H]1CCC[C@H](C)[N@H+]1C/C=C/[C@](O)(c1ccccc1)c1ccccn1 ZINC000102198446 564083210 /nfs/dbraw/zinc/08/32/10/564083210.db2.gz YOGCIXBRKGGRLY-UGFLADCKSA-N 0 0 336.479 4.137 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 ZINC000006251547 564083287 /nfs/dbraw/zinc/08/32/87/564083287.db2.gz GRBWQQVCQNNQLS-SECBINFHSA-N 0 0 330.236 4.139 50 0 EIAARN COc1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 ZINC000006258912 564083314 /nfs/dbraw/zinc/08/33/14/564083314.db2.gz OAGGZUKODHEABK-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CN(C)c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1 ZINC000063962739 564083339 /nfs/dbraw/zinc/08/33/39/564083339.db2.gz FGGFVHWHYUMNGW-UHFFFAOYSA-N 0 0 337.448 4.492 50 0 EIAARN Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC000575614959 564083348 /nfs/dbraw/zinc/08/33/48/564083348.db2.gz ANEILAVLWPWVIN-KRWDZBQOSA-N 0 0 333.435 4.049 50 0 EIAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1cccnc1 ZINC000063974571 564083381 /nfs/dbraw/zinc/08/33/81/564083381.db2.gz LBULIDRTPAAOOI-UHFFFAOYSA-N 0 0 332.407 4.019 50 0 EIAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2ccccc2CC)s1 ZINC000006286465 564083581 /nfs/dbraw/zinc/08/35/81/564083581.db2.gz IZAZZCJPNLNIAX-UHFFFAOYSA-N 0 0 348.493 4.468 50 0 EIAARN CCc1nc2ccc(C(=O)NCc3cncc(C4CC4)c3)cc2s1 ZINC000575618597 564083640 /nfs/dbraw/zinc/08/36/40/564083640.db2.gz DAWZFLSIGDKJTL-UHFFFAOYSA-N 0 0 337.448 4.061 50 0 EIAARN Cc1ccc(Cl)c(NC(=O)COC(=O)[C@H]2CC=CCC2)c1Cl ZINC000006291620 564083657 /nfs/dbraw/zinc/08/36/57/564083657.db2.gz CRBUJURJRBPKRL-NSHDSACASA-N 0 0 342.222 4.140 50 0 EIAARN O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000006316507 564084534 /nfs/dbraw/zinc/08/45/34/564084534.db2.gz RJDKPACTVTUNOC-UHFFFAOYSA-N 0 0 339.819 4.159 50 0 EIAARN CC1=C(C(=O)Nc2c(C)cc(C)cc2C)C2(CCCCC2)OC1=O ZINC000006772375 564084889 /nfs/dbraw/zinc/08/48/89/564084889.db2.gz CKLUPEKYUDVQPK-UHFFFAOYSA-N 0 0 327.424 4.127 50 0 EIAARN C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)n1c(=O)cnc2ccccc21 ZINC000012979485 564084966 /nfs/dbraw/zinc/08/49/66/564084966.db2.gz PHJQKBJFWFHGCV-CQSZACIVSA-N 0 0 334.419 4.138 50 0 EIAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccccc1 ZINC000006344037 564085121 /nfs/dbraw/zinc/08/51/21/564085121.db2.gz CZBGBLYAMMSQQZ-UHFFFAOYSA-N 0 0 339.464 4.258 50 0 EIAARN Cc1ccccc1CC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000035552378 564085246 /nfs/dbraw/zinc/08/52/46/564085246.db2.gz LGBLFNBNOUSMRU-UHFFFAOYSA-N 0 0 333.391 4.104 50 0 EIAARN C[C@H](C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c1cccs1 ZINC000122913210 564085371 /nfs/dbraw/zinc/08/53/71/564085371.db2.gz OXSWYCIYQMNIHA-MJBXVCDLSA-N 0 0 335.494 4.028 50 0 EIAARN CCOc1cccc2cc([C@@H](C)NC(=O)NCc3ccccc3)oc21 ZINC000012984089 564085766 /nfs/dbraw/zinc/08/57/66/564085766.db2.gz YULUZSWOXSRMSG-CQSZACIVSA-N 0 0 338.407 4.392 50 0 EIAARN CC(=O)c1ccc(-n2nncc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000012998168 564086084 /nfs/dbraw/zinc/08/60/84/564086084.db2.gz KTJPHMAXFFYELR-UHFFFAOYSA-N 0 0 331.297 4.156 50 0 EIAARN O=c1c2ccccc2nc(-c2ccccc2)n1CCOc1ccccc1 ZINC000012997359 564086110 /nfs/dbraw/zinc/08/61/10/564086110.db2.gz OQUJUDHPDOVBPW-UHFFFAOYSA-N 0 0 342.398 4.143 50 0 EIAARN CC(C)c1ccc([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000013003711 564086340 /nfs/dbraw/zinc/08/63/40/564086340.db2.gz YJRYOVODTQAPLX-OAHLLOKOSA-N 0 0 339.435 4.349 50 0 EIAARN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(C2CCCCC2)cc1 ZINC000013019669 564086878 /nfs/dbraw/zinc/08/68/78/564086878.db2.gz IJXMPFFWTSBAKC-UHFFFAOYSA-N 0 0 347.422 4.167 50 0 EIAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCC2 ZINC000013022907 564086908 /nfs/dbraw/zinc/08/69/08/564086908.db2.gz OKFQGAIDEPFEHM-LBPRGKRZSA-N 0 0 330.453 4.163 50 0 EIAARN CCOc1ccccc1CNC(=O)c1ccc(-c2ccsc2)nc1 ZINC000075501996 564087137 /nfs/dbraw/zinc/08/71/37/564087137.db2.gz VEVMDBFDTJCJAL-UHFFFAOYSA-N 0 0 338.432 4.139 50 0 EIAARN CSc1ccc(CNC(=O)c2ccc(-c3ccsc3)nc2)cc1 ZINC000075502000 564087151 /nfs/dbraw/zinc/08/71/51/564087151.db2.gz PSJIRBUAJWZCLS-UHFFFAOYSA-N 0 0 340.473 4.462 50 0 EIAARN O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000239284868 564088041 /nfs/dbraw/zinc/08/80/41/564088041.db2.gz CGSCAGIEIYXAOJ-OLZOCXBDSA-N 0 0 341.282 4.444 50 0 EIAARN Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]1C2 ZINC000239309777 564088070 /nfs/dbraw/zinc/08/80/70/564088070.db2.gz HVPVPQFZGNASDB-WSYNCDOCSA-N 0 0 326.484 4.056 50 0 EIAARN C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245265814 564088661 /nfs/dbraw/zinc/08/86/61/564088661.db2.gz IGJROBULCVXYHC-RVKKMQEKSA-N 0 0 345.483 4.224 50 0 EIAARN CCCN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc21 ZINC000075550020 564089313 /nfs/dbraw/zinc/08/93/13/564089313.db2.gz UNPOZSLBMNFHCG-UHFFFAOYSA-N 0 0 347.418 4.109 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000006476206 564089686 /nfs/dbraw/zinc/08/96/86/564089686.db2.gz FLNPCYJEGJITBQ-UHFFFAOYSA-N 0 0 338.388 4.100 50 0 EIAARN CN(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1ccccc1F ZINC000089356043 564089795 /nfs/dbraw/zinc/08/97/95/564089795.db2.gz IILHQBLLUPDWIS-LJQANCHMSA-N 0 0 329.415 4.016 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1 ZINC000001914174 564090012 /nfs/dbraw/zinc/09/00/12/564090012.db2.gz PUJKRVSGJDQJTQ-UHFFFAOYSA-N 0 0 340.423 4.060 50 0 EIAARN CC(C)(C)n1cc(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cn1 ZINC000192292267 564090105 /nfs/dbraw/zinc/09/01/05/564090105.db2.gz UTBCKPFICINRBN-LBPRGKRZSA-N 0 0 346.397 4.080 50 0 EIAARN CC[C@@H](NC(=O)N1CCC(c2ccncc2)CC1)c1cccs1 ZINC000192342341 564090119 /nfs/dbraw/zinc/09/01/19/564090119.db2.gz CNPAVERPAWAHBN-MRXNPFEDSA-N 0 0 329.469 4.183 50 0 EIAARN Cc1ccccc1Cn1c(CNC(=O)C(C)(C)C)nc2ccccc21 ZINC000001927055 564090280 /nfs/dbraw/zinc/09/02/80/564090280.db2.gz RVEAVPRTQPTOOB-UHFFFAOYSA-N 0 0 335.451 4.055 50 0 EIAARN COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccco2)c1 ZINC000089469823 564090740 /nfs/dbraw/zinc/09/07/40/564090740.db2.gz AEZBJJUUNWVLJM-LJQANCHMSA-N 0 0 346.386 4.280 50 0 EIAARN O=C(NCCCSc1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC000006510138 564091255 /nfs/dbraw/zinc/09/12/55/564091255.db2.gz MKTKHIUHSAHSIA-UHFFFAOYSA-N 0 0 341.263 4.301 50 0 EIAARN Cc1ccc(C(O)=C2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1C ZINC000064450239 564091402 /nfs/dbraw/zinc/09/14/02/564091402.db2.gz QPDUJDIUXFGWPP-INIZCTEOSA-N 0 0 345.402 4.002 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc4c(c3)CCC4)nc2c1 ZINC000006536918 564091732 /nfs/dbraw/zinc/09/17/32/564091732.db2.gz NLJMGAZLEVHBJU-UHFFFAOYSA-N 0 0 337.448 4.091 50 0 EIAARN FC(F)(F)[C@@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000064555136 564092174 /nfs/dbraw/zinc/09/21/74/564092174.db2.gz ZOMGGUPVNKQMIS-CQSZACIVSA-N 0 0 349.400 4.135 50 0 EIAARN CCc1nnc(CNc2cnn(-c3ccccc3Cl)c2C(C)C)o1 ZINC000192724856 564093035 /nfs/dbraw/zinc/09/30/35/564093035.db2.gz VBBXESZXSOHWPR-UHFFFAOYSA-N 0 0 345.834 4.207 50 0 EIAARN CCCn1c(=O)c2ccccc2nc1SCc1cccc(OC)c1 ZINC000006609695 564093407 /nfs/dbraw/zinc/09/34/07/564093407.db2.gz HSYZFTDHGMLKFN-UHFFFAOYSA-N 0 0 340.448 4.107 50 0 EIAARN CCN(C(=O)c1ccc(-c2cncc3ccccc32)cc1)[C@H](C)CCO ZINC000426492811 564093883 /nfs/dbraw/zinc/09/38/83/564093883.db2.gz MQTDGKIANXFYCU-MRXNPFEDSA-N 0 0 348.446 4.135 50 0 EIAARN Cc1ncsc1CCNC(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000426510461 564093957 /nfs/dbraw/zinc/09/39/57/564093957.db2.gz VMFZRWBCIMUQOK-MRXNPFEDSA-N 0 0 347.459 4.070 50 0 EIAARN Cn1cncc1-c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC000426563120 564094090 /nfs/dbraw/zinc/09/40/90/564094090.db2.gz SJFCMJWRKMQBLR-FQEVSTJZSA-N 0 0 345.446 4.107 50 0 EIAARN CCCN(C(=O)Nc1ccc(C)c2ncccc12)[C@@H]1CCCC[C@H]1O ZINC000426551383 564094099 /nfs/dbraw/zinc/09/40/99/564094099.db2.gz UZELVFPKMKPYHQ-QZTJIDSGSA-N 0 0 341.455 4.091 50 0 EIAARN Cc1cc(C(=O)NCc2ccccc2F)c(C)n1Cc1ccccc1 ZINC000027080194 564094456 /nfs/dbraw/zinc/09/44/56/564094456.db2.gz XAFYGMHNPFLZIL-UHFFFAOYSA-N 0 0 336.410 4.222 50 0 EIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CO)cc1 ZINC000006626984 564094675 /nfs/dbraw/zinc/09/46/75/564094675.db2.gz KQHRWMOOPNWJKS-UHFFFAOYSA-N 0 0 329.705 4.103 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000006626946 564094686 /nfs/dbraw/zinc/09/46/86/564094686.db2.gz KCMQVJSGARYZPF-UHFFFAOYSA-N 0 0 335.354 4.242 50 0 EIAARN COc1ccccc1CNc1ncnc2c(-c3ccc(C)cc3)noc21 ZINC000064658392 564094718 /nfs/dbraw/zinc/09/47/18/564094718.db2.gz RGNZPXZUIUTYTB-UHFFFAOYSA-N 0 0 346.390 4.214 50 0 EIAARN O=C(Nc1cccc2cnccc21)c1cnn(-c2ccccc2Cl)c1 ZINC000064655874 564094737 /nfs/dbraw/zinc/09/47/37/564094737.db2.gz OVMOCIIDGKBOJX-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000066310895 564094855 /nfs/dbraw/zinc/09/48/55/564094855.db2.gz RRNREZBBGITYMO-ZWKOTPCHSA-N 0 0 346.430 4.338 50 0 EIAARN O=C(N[C@H]1CCSc2ccccc21)c1cc(Cl)nc(Cl)c1 ZINC000006649167 564095108 /nfs/dbraw/zinc/09/51/08/564095108.db2.gz JHBUFSBYTPEHIR-NSHDSACASA-N 0 0 339.247 4.355 50 0 EIAARN Cc1ccc(-n2ccn3cc(-c4cccs4)nc3c2=O)cc1Cl ZINC000064675453 564095127 /nfs/dbraw/zinc/09/51/27/564095127.db2.gz JBQHWYZVDWRWKB-UHFFFAOYSA-N 0 0 341.823 4.176 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)n1C ZINC000064676541 564095180 /nfs/dbraw/zinc/09/51/80/564095180.db2.gz LCKVEHRNIYCIPZ-UHFFFAOYSA-N 0 0 331.828 4.363 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000006648166 564095273 /nfs/dbraw/zinc/09/52/73/564095273.db2.gz VWSQRUYGMQXJDH-SOUVJXGZSA-N 0 0 345.512 4.089 50 0 EIAARN O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1cccc2ccccc21 ZINC000006648278 564095277 /nfs/dbraw/zinc/09/52/77/564095277.db2.gz KZQPCDDWWIMRIW-UHFFFAOYSA-N 0 0 344.370 4.117 50 0 EIAARN Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)c(C)c1C ZINC000006667934 564095689 /nfs/dbraw/zinc/09/56/89/564095689.db2.gz RSVKANFEVVSNQJ-ZDUSSCGKSA-N 0 0 329.465 4.060 50 0 EIAARN O=C(/C=C/c1ccccc1Cl)Nc1nonc1-c1ccc(F)cc1 ZINC000006719930 564096302 /nfs/dbraw/zinc/09/63/02/564096302.db2.gz QQFILMSDGVMEON-JXMROGBWSA-N 0 0 343.745 4.181 50 0 EIAARN Cc1ccc(C)c(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c1 ZINC000006737021 564096656 /nfs/dbraw/zinc/09/66/56/564096656.db2.gz HVNAUWMQSICGMB-UHFFFAOYSA-N 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EIAARN Cc1ccc(-c2csc(NC(=O)c3conc3C3CC3)n2)s1 ZINC000252508531 564119974 /nfs/dbraw/zinc/11/99/74/564119974.db2.gz XOQZSIQSDUFMQW-UHFFFAOYSA-N 0 0 331.422 4.298 50 0 EIAARN Cc1nc(C)c(C(=O)Nc2cccc3oc(C(F)(F)F)nc32)s1 ZINC000153545980 564120299 /nfs/dbraw/zinc/12/02/99/564120299.db2.gz VBIBDBZFHNCCCT-UHFFFAOYSA-N 0 0 341.314 4.172 50 0 EIAARN CO[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)s1 ZINC000225701197 564120706 /nfs/dbraw/zinc/12/07/06/564120706.db2.gz MOVLOLYJTXSZHC-ZDUSSCGKSA-N 0 0 334.828 4.000 50 0 EIAARN CC[C@@H](NC(=O)Cc1cccc(F)c1)c1ccccc1OC(F)F ZINC000027352975 564120824 /nfs/dbraw/zinc/12/08/24/564120824.db2.gz PEPGGMDIGXVORU-OAHLLOKOSA-N 0 0 337.341 4.237 50 0 EIAARN CCCc1nc2oc3c(ncnc3Cl)c2c2c1COC(C)(C)C2 ZINC000002196661 564120832 /nfs/dbraw/zinc/12/08/32/564120832.db2.gz BTHOSYUFSUWBSD-UHFFFAOYSA-N 0 0 331.803 4.228 50 0 EIAARN O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000007609471 564120899 /nfs/dbraw/zinc/12/08/99/564120899.db2.gz DYGCFGANQFGNAU-UHFFFAOYSA-N 0 0 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CDDCUUOJZAIJNE-UHFFFAOYSA-N 0 0 347.462 4.359 50 0 EIAARN COc1ccccc1[C@H](C)Nc1nc2cc(C)nn2c2ccccc12 ZINC000007777104 564123015 /nfs/dbraw/zinc/12/30/15/564123015.db2.gz BLYZWPBWFYOIJH-AWEZNQCLSA-N 0 0 332.407 4.373 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000007779096 564123072 /nfs/dbraw/zinc/12/30/72/564123072.db2.gz IDQICFPRKRYSRP-CQSZACIVSA-N 0 0 335.369 4.385 50 0 EIAARN O=C(Nc1ccnn1C1CCCC1)c1cccnc1Oc1ccccc1 ZINC000007782590 564123228 /nfs/dbraw/zinc/12/32/28/564123228.db2.gz AYVWXDFSQQUICD-UHFFFAOYSA-N 0 0 348.406 4.438 50 0 EIAARN Nc1cc2ccccc2cc1C(=O)N(CCC(F)(F)F)C1CCC1 ZINC000195542505 564123678 /nfs/dbraw/zinc/12/36/78/564123678.db2.gz CDAFGYBNXYEGBN-UHFFFAOYSA-N 0 0 336.357 4.369 50 0 EIAARN Cc1csc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)n1 ZINC000007817045 564123995 /nfs/dbraw/zinc/12/39/95/564123995.db2.gz YWZXMZBIFLVHCH-VIFPVBQESA-N 0 0 344.408 4.172 50 0 EIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc2ccccc2c1 ZINC000007830928 564124110 /nfs/dbraw/zinc/12/41/10/564124110.db2.gz NKORCWUORBVHTI-UHFFFAOYSA-N 0 0 341.414 4.298 50 0 EIAARN Cc1ccc(C(=O)Nc2c(C)cccc2NC(=O)NC(C)C)cc1 ZINC000066089482 564124217 /nfs/dbraw/zinc/12/42/17/564124217.db2.gz YXFBTMZJKRJIKE-UHFFFAOYSA-N 0 0 325.412 4.086 50 0 EIAARN CCCOCC(=O)N(C)[C@H](c1csc2ccccc21)[C@@H]1C[C@H]1C ZINC000252670354 564124803 /nfs/dbraw/zinc/12/48/03/564124803.db2.gz KHWLVDVPGVNPRD-MUKKUYKPSA-N 0 0 331.481 4.483 50 0 EIAARN Cc1[nH]nc2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 ZINC000252694071 564124954 /nfs/dbraw/zinc/12/49/54/564124954.db2.gz HVPVPQFZGNASDB-LDJCDLSFSA-N 0 0 326.484 4.056 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1C ZINC000007915228 564125107 /nfs/dbraw/zinc/12/51/07/564125107.db2.gz QMBRQGQWRMNGLK-UHFFFAOYSA-N 0 0 342.826 4.336 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 ZINC000007915687 564125109 /nfs/dbraw/zinc/12/51/09/564125109.db2.gz IUTLZQDRUQZUIC-UHFFFAOYSA-N 0 0 343.766 4.097 50 0 EIAARN Cc1ccc(C(=O)COc2cc3c(C)cc(=O)oc3cc2Cl)cc1 ZINC000000036268 564125139 /nfs/dbraw/zinc/12/51/39/564125139.db2.gz KLMHYCKSMUAZFP-UHFFFAOYSA-N 0 0 342.778 4.325 50 0 biogenic,in-vitro EIAARN Cc1c(O)ccc2c(CSc3ccc(F)cc3F)cc(=O)oc12 ZINC000007921513 564125516 /nfs/dbraw/zinc/12/55/16/564125516.db2.gz ZKSNYKSWFYUXJB-UHFFFAOYSA-N 0 0 334.343 4.378 50 0 EIAARN C[C@]12CC=C3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000022001466 564129098 /nfs/dbraw/zinc/12/90/98/564129098.db2.gz MCNZISFQKMPWRJ-ORDMVQLLSA-N 0 0 338.447 4.290 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]34C)OCCO5)[C@@H]1CC[C@H]2O ZINC000039737978 564129208 /nfs/dbraw/zinc/12/92/08/564129208.db2.gz FYVKKXPWOJKVKR-LBVZWDRHSA-N 0 0 334.500 4.133 50 0 EIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C(C)C)c(C)cc1OC ZINC000231423883 564129635 /nfs/dbraw/zinc/12/96/35/564129635.db2.gz INSJVCLZHFTPKU-OAHLLOKOSA-N 0 0 339.501 4.080 50 0 EIAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000002287885 564130295 /nfs/dbraw/zinc/13/02/95/564130295.db2.gz ATPSAYKXQMRVSH-INIZCTEOSA-N 0 0 347.414 4.243 50 0 EIAARN Cc1nc([C@H]2CCCCN2C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000584884260 564131377 /nfs/dbraw/zinc/13/13/77/564131377.db2.gz YQOKGYDJNRUSRJ-CQSZACIVSA-N 0 0 325.243 4.039 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253498970 564132765 /nfs/dbraw/zinc/13/27/65/564132765.db2.gz BFKPXLDFMBGVDL-UQPMZEOESA-N 0 0 342.479 4.162 50 0 EIAARN CCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000513067062 564133594 /nfs/dbraw/zinc/13/35/94/564133594.db2.gz BXIUZBBCKAZRBL-INIZCTEOSA-N 0 0 341.430 4.036 50 0 EIAARN Cc1ccc(C)c(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c1 ZINC000008751024 564134067 /nfs/dbraw/zinc/13/40/67/564134067.db2.gz JWRPPPYSDBMPNJ-FMIVXFBMSA-N 0 0 334.419 4.082 50 0 EIAARN CC(C)Sc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000055178663 564134334 /nfs/dbraw/zinc/13/43/34/564134334.db2.gz HPWDHEKEGDRBFX-UHFFFAOYSA-N 0 0 348.855 4.192 50 0 EIAARN Cc1cccc(-c2nnc(SCc3cccc4ccccc43)n2N)c1 ZINC000002396687 564134476 /nfs/dbraw/zinc/13/44/76/564134476.db2.gz PXKOLVLRIQAXPA-UHFFFAOYSA-N 0 0 346.459 4.413 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2C)cc1 ZINC000027886640 564135314 /nfs/dbraw/zinc/13/53/14/564135314.db2.gz BVBNTOIMXDOPBP-UHFFFAOYSA-N 0 0 341.407 4.213 50 0 EIAARN Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccc(F)cc3)c2cc1C ZINC000013125639 564136055 /nfs/dbraw/zinc/13/60/55/564136055.db2.gz LCLLITCGEILUFR-UHFFFAOYSA-N 0 0 347.393 4.196 50 0 EIAARN CS[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000078821170 564137243 /nfs/dbraw/zinc/13/72/43/564137243.db2.gz CWSSUFZAKKPWPY-ABAIWWIYSA-N 0 0 349.887 4.145 50 0 EIAARN Cc1cc([C@@H]2CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000078902543 564137364 /nfs/dbraw/zinc/13/73/64/564137364.db2.gz SAWSHGZHFMYIBU-MRXNPFEDSA-N 0 0 345.874 4.100 50 0 EIAARN CCOCc1ccc(NC(=O)NC(C)(C)c2ncc(C)s2)cc1 ZINC000079817382 564138344 /nfs/dbraw/zinc/13/83/44/564138344.db2.gz DTPUWDHTNLXGAW-UHFFFAOYSA-N 0 0 333.457 4.045 50 0 EIAARN Cc1cc(CCCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)on1 ZINC000390825891 564138424 /nfs/dbraw/zinc/13/84/24/564138424.db2.gz MMYSDTPHZUIOTO-UHFFFAOYSA-N 0 0 346.858 4.197 50 0 EIAARN O=C(c1cc(-c2cccnc2)on1)N1CCCC[C@H](c2ccccc2)C1 ZINC000390828065 564138515 /nfs/dbraw/zinc/13/85/15/564138515.db2.gz OGBDBNOVYDXAOZ-SFHVURJKSA-N 0 0 347.418 4.147 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1CSC(C)(C)C ZINC000390828440 564138570 /nfs/dbraw/zinc/13/85/70/564138570.db2.gz BAUWNJWYPOYBCB-JKSUJKDBSA-N 0 0 335.513 4.367 50 0 EIAARN CCSc1ccccc1C(=O)NC1(c2cccs2)CCOCC1 ZINC000390829445 564138607 /nfs/dbraw/zinc/13/86/07/564138607.db2.gz YUTDTXSEGLRRDL-UHFFFAOYSA-N 0 0 347.505 4.296 50 0 EIAARN Cc1cnc([C@@H](C)Nc2ccc(NC(=O)NCc3ccco3)cc2)o1 ZINC000390834396 564138924 /nfs/dbraw/zinc/13/89/24/564138924.db2.gz XYUVDZJIWGDUSS-CYBMUJFWSA-N 0 0 340.383 4.071 50 0 EIAARN CSC1(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)CCC1 ZINC000390835449 564139002 /nfs/dbraw/zinc/13/90/02/564139002.db2.gz NZYCHBWSEULBNT-ZDUSSCGKSA-N 0 0 331.485 4.080 50 0 EIAARN COC(=O)Nc1ccccc1OCc1nc(-c2ccco2)oc1C ZINC000080286160 564139175 /nfs/dbraw/zinc/13/91/75/564139175.db2.gz UAMLNWFNFFYZMO-UHFFFAOYSA-N 0 0 328.324 4.000 50 0 EIAARN O=C(Nc1cccc2ccccc21)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000080344736 564139372 /nfs/dbraw/zinc/13/93/72/564139372.db2.gz ZDEABBAHRCGTOK-ROUUACIJSA-N 0 0 345.398 4.353 50 0 EIAARN Cc1cc(C)n2cc(CNc3ccccc3CC(F)(F)F)nc2n1 ZINC000095410316 564139660 /nfs/dbraw/zinc/13/96/60/564139660.db2.gz PMHQFVRAJDKAHQ-UHFFFAOYSA-N 0 0 334.345 4.063 50 0 EIAARN O=C(Nc1ccccc1)Nc1cccc(CNC(=O)C2=CCCC2)c1 ZINC000095415095 564139740 /nfs/dbraw/zinc/13/97/40/564139740.db2.gz FSIJHRSYKXRHTQ-UHFFFAOYSA-N 0 0 335.407 4.057 50 0 EIAARN CC(C)N(C(=O)c1ccnc(C2CC2)n1)c1cccc(C(F)(F)F)c1 ZINC000095418900 564139816 /nfs/dbraw/zinc/13/98/16/564139816.db2.gz HZNJMHJGVFBLMM-UHFFFAOYSA-N 0 0 349.356 4.428 50 0 EIAARN c1cn(CCOc2ccccc2NCc2cccc3[nH]ccc32)cn1 ZINC000095428814 564140273 /nfs/dbraw/zinc/14/02/73/564140273.db2.gz PUERTAQKAMBJBV-UHFFFAOYSA-N 0 0 332.407 4.056 50 0 EIAARN Cc1ccc(CNc2cccc(C[S@@](=O)C3CCOCC3)c2)s1 ZINC000095429130 564140301 /nfs/dbraw/zinc/14/03/01/564140301.db2.gz QUWPGWYEPDPIDG-QHCPKHFHSA-N 0 0 349.521 4.096 50 0 EIAARN C[S@](=O)Cc1cccc(NCc2ccc(Br)s2)c1 ZINC000095429147 564140306 /nfs/dbraw/zinc/14/03/06/564140306.db2.gz DDXCYIUJRCPJFF-GOSISDBHSA-N 0 0 344.299 4.001 50 0 EIAARN c1csc(CSc2nnc(SCc3nccs3)s2)n1 ZINC000095431247 564140361 /nfs/dbraw/zinc/14/03/61/564140361.db2.gz AYQKEIMERFTSQT-UHFFFAOYSA-N 0 0 344.537 4.036 50 0 EIAARN CC(=O)N(C)c1cccc(NCc2ccc(-c3ccncc3)cc2F)c1 ZINC000095434072 564140392 /nfs/dbraw/zinc/14/03/92/564140392.db2.gz DXXAPOOUTMBNCF-UHFFFAOYSA-N 0 0 349.409 4.483 50 0 EIAARN CC(C)(CCC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000095436000 564140433 /nfs/dbraw/zinc/14/04/33/564140433.db2.gz USIFXYMTSBAUDG-GOSISDBHSA-N 0 0 325.456 4.221 50 0 EIAARN Cc1c(C(=O)N2CCSc3ccncc32)cccc1-c1ccccn1 ZINC000095438232 564140454 /nfs/dbraw/zinc/14/04/54/564140454.db2.gz AZATUZOKZPCMGZ-UHFFFAOYSA-N 0 0 347.443 4.205 50 0 EIAARN CC1=C(C(=O)N[C@H](c2cc3ccccc3o2)c2ccncc2)CCCO1 ZINC000095439518 564140465 /nfs/dbraw/zinc/14/04/65/564140465.db2.gz WKYSPJXPLGFVBG-FQEVSTJZSA-N 0 0 348.402 4.118 50 0 EIAARN Cc1c(CN[C@@H](c2ccsc2)c2ccc(Cl)cc2)cnn1C ZINC000095440007 564140467 /nfs/dbraw/zinc/14/04/67/564140467.db2.gz UEECPTACWWYHTO-QGZVFWFLSA-N 0 0 331.872 4.323 50 0 EIAARN OC[C@H]1C=C[C@@H]([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000095450959 564140601 /nfs/dbraw/zinc/14/06/01/564140601.db2.gz RAFJESXRQFELGG-VPWXQRGCSA-N 0 0 345.845 4.290 50 0 EIAARN CCN(Cc1cc(Cl)ccc1S(=O)(=O)CC)C1CCCCC1 ZINC000095453795 564140653 /nfs/dbraw/zinc/14/06/53/564140653.db2.gz KDVAQHDWSVKXST-UHFFFAOYSA-N 0 0 343.920 4.288 50 0 EIAARN CC[C@@H](NC(=O)c1cccc(-c2nnco2)c1)c1ccc(Cl)cc1 ZINC000095467409 564141101 /nfs/dbraw/zinc/14/11/01/564141101.db2.gz CVROMCSSUUPTIW-MRXNPFEDSA-N 0 0 341.798 4.271 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CC2(n3cccc3)CCCCC2)c1 ZINC000095473177 564141322 /nfs/dbraw/zinc/14/13/22/564141322.db2.gz QPFIPRCPPSCHRD-UHFFFAOYSA-N 0 0 339.439 4.135 50 0 EIAARN Cc1cc(C)cc(NC(=O)NCCCN2CCCc3ccccc32)c1 ZINC000020889988 564141883 /nfs/dbraw/zinc/14/18/83/564141883.db2.gz HUWYXOKXVZRJAZ-UHFFFAOYSA-N 0 0 337.467 4.268 50 0 EIAARN O=C(Nc1ccccc1Cl)N1C[C@@H]2CCCN2c2ccccc21 ZINC000020985391 564141902 /nfs/dbraw/zinc/14/19/02/564141902.db2.gz IVZOEPUTMZPIAP-ZDUSSCGKSA-N 0 0 327.815 4.361 50 0 EIAARN CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2-c2cn[nH]c2)C1 ZINC000095945361 564142163 /nfs/dbraw/zinc/14/21/63/564142163.db2.gz KUWRCJSXWBWPDI-CABCVRRESA-N 0 0 344.484 4.263 50 0 EIAARN CC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000095946143 564142233 /nfs/dbraw/zinc/14/22/33/564142233.db2.gz BGQHNHMARIGXFQ-QGZVFWFLSA-N 0 0 343.224 4.147 50 0 EIAARN c1cc2c(o1)CCC[C@@H]2NCc1csc(COc2ccccc2)n1 ZINC000095959234 564142666 /nfs/dbraw/zinc/14/26/66/564142666.db2.gz CBSZGCJLTNSUFT-KRWDZBQOSA-N 0 0 340.448 4.482 50 0 EIAARN O=C(Nc1cccc(-c2ncco2)c1)c1c(F)c(F)cc(F)c1F ZINC000095973822 564143474 /nfs/dbraw/zinc/14/34/74/564143474.db2.gz IMXCGXILRVKOJE-UHFFFAOYSA-N 0 0 336.244 4.150 50 0 EIAARN Cc1cc(CN[C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)no1 ZINC000095985334 564143935 /nfs/dbraw/zinc/14/39/35/564143935.db2.gz LLPSSGMERDRMBW-ZDUSSCGKSA-N 0 0 327.359 4.160 50 0 EIAARN CC(C)Cn1ncnc1CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000095995291 564144229 /nfs/dbraw/zinc/14/42/29/564144229.db2.gz BHLQRZVOBYWLDZ-NRFANRHFSA-N 0 0 346.478 4.082 50 0 EIAARN Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2cccc(Br)c2)cc1 ZINC000095997736 564144316 /nfs/dbraw/zinc/14/43/16/564144316.db2.gz ISFCVEJWKNMIGR-INIZCTEOSA-N 0 0 348.240 4.063 50 0 EIAARN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccc[nH]1 ZINC000095997250 564144338 /nfs/dbraw/zinc/14/43/38/564144338.db2.gz DPUMLNDDWKRSDE-UHFFFAOYSA-N 0 0 330.347 4.003 50 0 EIAARN Cc1cc(Nc2cc(-c3ccccn3)nc(C)n2)nn1[C@H](C)C1CC1 ZINC000096009793 564144668 /nfs/dbraw/zinc/14/46/68/564144668.db2.gz SMIHEUVKZBAJGI-CYBMUJFWSA-N 0 0 334.427 4.067 50 0 EIAARN Cc1noc(-c2ccccc2)c1C(=O)N[C@@H](C)Cc1ccccc1F ZINC000096011186 564144719 /nfs/dbraw/zinc/14/47/19/564144719.db2.gz MWTFXXJTKXXLBB-ZDUSSCGKSA-N 0 0 338.382 4.150 50 0 EIAARN O=C(NCc1ccncc1)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000096012245 564144755 /nfs/dbraw/zinc/14/47/55/564144755.db2.gz KMQNNRGKOMKIHM-UHFFFAOYSA-N 0 0 344.823 4.409 50 0 EIAARN CSCCCN(C)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000281520926 564144847 /nfs/dbraw/zinc/14/48/47/564144847.db2.gz XZZCIXXXKZGRHU-UHFFFAOYSA-N 0 0 348.472 4.077 50 0 EIAARN C[C@@H](NC(=O)/C=C\c1ccsc1)c1nc(-c2cccnc2)cs1 ZINC000096035680 564145111 /nfs/dbraw/zinc/14/51/11/564145111.db2.gz QNJIKFSIIVXQKR-QMAVJUDZSA-N 0 0 341.461 4.157 50 0 EIAARN CO[C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccsc1 ZINC000096097404 564145219 /nfs/dbraw/zinc/14/52/19/564145219.db2.gz DUZPWEUQZVZAJV-CYBMUJFWSA-N 0 0 330.236 4.172 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000096221721 564146009 /nfs/dbraw/zinc/14/60/09/564146009.db2.gz OWYVBUFYHFAHIO-HXUWFJFHSA-N 0 0 343.430 4.386 50 0 biogenic EIAARN Cn1ccc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)ccc21 ZINC000096223133 564146028 /nfs/dbraw/zinc/14/60/28/564146028.db2.gz XZIOWPMMBDZGLJ-IBGZPJMESA-N 0 0 344.418 4.032 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccccc1F ZINC000096222981 564146035 /nfs/dbraw/zinc/14/60/35/564146035.db2.gz UWSVVCJRMLZDLM-GOSISDBHSA-N 0 0 338.382 4.123 50 0 EIAARN Cc1csc(=Nc2ccccc2)n1CC(=O)c1ccc(F)cc1 ZINC000254517279 564146201 /nfs/dbraw/zinc/14/62/01/564146201.db2.gz QTFHPXBOMWAHMU-UHFFFAOYSA-N 0 0 326.396 4.112 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)C1CCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278065 564146295 /nfs/dbraw/zinc/14/62/95/564146295.db2.gz FZVCQJGJQQFPME-IAQYHMDHSA-N 0 0 347.846 4.394 50 0 EIAARN CC[C@@H](C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)CC(C)C ZINC000096277284 564146296 /nfs/dbraw/zinc/14/62/96/564146296.db2.gz XMBCZYWGDYKWTR-MRXNPFEDSA-N 0 0 343.471 4.261 50 0 EIAARN CC(C)(C)C1CCN(c2ncnc(Oc3ccccc3F)c2N)CC1 ZINC000096286958 564146399 /nfs/dbraw/zinc/14/63/99/564146399.db2.gz UIVSLURPUOQNTM-UHFFFAOYSA-N 0 0 344.434 4.253 50 0 EIAARN Cc1ccc(C(=O)N[C@H](c2nc(-c3cccc(C)c3)no2)C(C)C)cc1 ZINC000096292896 564146456 /nfs/dbraw/zinc/14/64/56/564146456.db2.gz CNOAENWPFSZFTJ-SFHVURJKSA-N 0 0 349.434 4.481 50 0 EIAARN CC[C@@H](C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)CC(C)C ZINC000096293240 564146497 /nfs/dbraw/zinc/14/64/97/564146497.db2.gz IQILHHXSBBJPSF-CQSZACIVSA-N 0 0 347.434 4.091 50 0 EIAARN CC[C@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2ccco2)no1 ZINC000096293953 564146525 /nfs/dbraw/zinc/14/65/25/564146525.db2.gz QKQQZBHCKPQKSV-BBRMVZONSA-N 0 0 339.395 4.155 50 0 EIAARN Cc1csc([C@@H](NC(=O)N[C@H](C)c2ccc(F)cc2)C2CC2)n1 ZINC000096437459 564148100 /nfs/dbraw/zinc/14/81/00/564148100.db2.gz XLEKPBZVRZXBJJ-ABAIWWIYSA-N 0 0 333.432 4.102 50 0 EIAARN O=C(c1cncc(F)c1)N(c1cccc2cccnc21)C1CCCC1 ZINC000097014624 564149146 /nfs/dbraw/zinc/14/91/46/564149146.db2.gz GOCHTFDQDFWBQF-UHFFFAOYSA-N 0 0 335.382 4.358 50 0 EIAARN Fc1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 ZINC000002471866 564149699 /nfs/dbraw/zinc/14/96/99/564149699.db2.gz DOUNKNPLRLVWTH-HUUCEWRRSA-N 0 0 346.768 4.356 50 0 EIAARN Fc1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 ZINC000002471858 564149715 /nfs/dbraw/zinc/14/97/15/564149715.db2.gz DOUNKNPLRLVWTH-GJZGRUSLSA-N 0 0 346.768 4.356 50 0 EIAARN CC(C)n1cnc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccn2)c1 ZINC000225606108 564149949 /nfs/dbraw/zinc/14/99/49/564149949.db2.gz AOLWGPWGUNXAQR-QGZVFWFLSA-N 0 0 348.450 4.263 50 0 EIAARN C[C@@](O)(CNC(=O)c1ccc(-c2ccsc2)cc1)c1cccs1 ZINC000225621764 564150033 /nfs/dbraw/zinc/15/00/33/564150033.db2.gz NOZJOIHHDWPESE-GOSISDBHSA-N 0 0 343.473 4.114 50 0 EIAARN Cc1nc(NC(=O)c2ccc(Oc3nccs3)cc2)sc1C ZINC000225636953 564150073 /nfs/dbraw/zinc/15/00/73/564150073.db2.gz GJXDHDNTKCMJIO-UHFFFAOYSA-N 0 0 331.422 4.261 50 0 EIAARN Cc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1F ZINC000225655692 564150158 /nfs/dbraw/zinc/15/01/58/564150158.db2.gz AZVFUZBIGHBNIU-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N(Cc2cccs2)C2CC2)c(C)c1 ZINC000028041275 564150180 /nfs/dbraw/zinc/15/01/80/564150180.db2.gz BYSPCQWDDVBFBT-UHFFFAOYSA-N 0 0 335.494 4.027 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)n1ccccc1=NC1CCCCC1 ZINC000254607181 564150727 /nfs/dbraw/zinc/15/07/27/564150727.db2.gz MPVWVKZRRDNVHX-UHFFFAOYSA-N 0 0 346.833 4.397 50 0 EIAARN CCOc1ccc(Cl)c(C(=O)N2CCC[C@H]2c2ccsc2)n1 ZINC000055995279 564151062 /nfs/dbraw/zinc/15/10/62/564151062.db2.gz RBQWPIYNFRZFDW-ZDUSSCGKSA-N 0 0 336.844 4.173 50 0 EIAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccco2)o1 ZINC000002619664 564151176 /nfs/dbraw/zinc/15/11/76/564151176.db2.gz TXNBXKPWZVDZNN-UHFFFAOYSA-N 0 0 344.392 4.223 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc(C)c(C)c(C)n1 ZINC000002624062 564151274 /nfs/dbraw/zinc/15/12/74/564151274.db2.gz ZCRUTUHEEQGRJR-UHFFFAOYSA-N 0 0 335.860 4.094 50 0 EIAARN Cc1cc(C)c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(C)c1 ZINC000002635313 564151553 /nfs/dbraw/zinc/15/15/53/564151553.db2.gz JWTKAVGMNCBXLP-INIZCTEOSA-N 0 0 340.448 4.053 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000002635865 564151561 /nfs/dbraw/zinc/15/15/61/564151561.db2.gz SEDIPGJZORLINT-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN O=C(NCc1ccccc1Cl)c1c2c(nc3ccccc31)CCC2 ZINC000002645573 564151803 /nfs/dbraw/zinc/15/18/03/564151803.db2.gz NBWHMZLOJWLLLC-UHFFFAOYSA-N 0 0 336.822 4.307 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C ZINC000002660657 564152066 /nfs/dbraw/zinc/15/20/66/564152066.db2.gz XRCXMADVBWZPNG-UHFFFAOYSA-N 0 0 341.791 4.278 50 0 EIAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCC1CCCC1 ZINC000002721978 564152258 /nfs/dbraw/zinc/15/22/58/564152258.db2.gz BBPVACGMFNAQRS-UHFFFAOYSA-N 0 0 328.412 4.254 50 0 EIAARN Cc1cccc(NC(=S)Nc2cnn(Cc3ccccc3C)c2)c1 ZINC000002794158 564152673 /nfs/dbraw/zinc/15/26/73/564152673.db2.gz KWOBFJSNYJUFGR-UHFFFAOYSA-N 0 0 336.464 4.357 50 0 EIAARN O=C(c1cc(Br)ccc1OC(F)F)N1CCCCCC1 ZINC000002790313 564152690 /nfs/dbraw/zinc/15/26/90/564152690.db2.gz NPPJTPHAHDMOSI-UHFFFAOYSA-N 0 0 348.187 4.067 50 0 EIAARN O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000002919082 564153030 /nfs/dbraw/zinc/15/30/30/564153030.db2.gz LGWKVKZWYAJEAB-NTEUORMPSA-N 0 0 331.780 4.287 50 0 EIAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C ZINC000002919575 564153032 /nfs/dbraw/zinc/15/30/32/564153032.db2.gz QGPVMDYIYHVIOF-IRXDYDNUSA-N 0 0 339.830 4.090 50 0 EIAARN Cc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3nnnc3N2)cc1C ZINC000002919593 564153033 /nfs/dbraw/zinc/15/30/33/564153033.db2.gz GWQMUBOAGAWECO-IRXDYDNUSA-N 0 0 339.830 4.090 50 0 EIAARN COc1ccccc1CNC(=O)CCSCc1cccc(Cl)c1 ZINC000002954073 564153769 /nfs/dbraw/zinc/15/37/69/564153769.db2.gz WLUWQOJVNRBXNZ-UHFFFAOYSA-N 0 0 349.883 4.288 50 0 EIAARN Cc1ccc(NC(=O)C[C@]2(C)NN=C(c3ccccc3)S2)c(C)c1 ZINC000670426964 564153914 /nfs/dbraw/zinc/15/39/14/564153914.db2.gz ADTQPHHVTKNGDR-LJQANCHMSA-N 0 0 339.464 4.046 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)n[nH]2)cc1 ZINC000057412434 564154116 /nfs/dbraw/zinc/15/41/16/564154116.db2.gz IVVUXFUDKLERMA-UHFFFAOYSA-N 0 0 343.333 4.006 50 0 EIAARN CCCCCNC(=O)c1sc(=S)n(CCc2ccccc2)c1N ZINC000003018666 564154451 /nfs/dbraw/zinc/15/44/51/564154451.db2.gz MVIJTVRHGNZIEU-UHFFFAOYSA-N 0 0 349.525 4.024 50 0 EIAARN Clc1ccc(-c2nnn3c2nc(N2CCCC2)c2ccccc23)cc1 ZINC000057510445 564154606 /nfs/dbraw/zinc/15/46/06/564154606.db2.gz GGEYTEUIILSQQC-UHFFFAOYSA-N 0 0 349.825 4.198 50 0 EIAARN COCCN(C(=S)Nc1ccccc1Cl)[C@@H](C)c1ccccn1 ZINC000003046579 564154636 /nfs/dbraw/zinc/15/46/36/564154636.db2.gz PPOSMLHKCRJHCH-ZDUSSCGKSA-N 0 0 349.887 4.141 50 0 EIAARN C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl ZINC000057529600 564154760 /nfs/dbraw/zinc/15/47/60/564154760.db2.gz HLAMDRGKWMQGOB-ACJLOTCBSA-N 0 0 328.843 4.011 50 0 EIAARN O=C(Nc1ccccc1F)C(F)(F)Oc1cccc(C(F)(F)F)c1 ZINC000003117009 564155243 /nfs/dbraw/zinc/15/52/43/564155243.db2.gz ACSZWWIVQDTZNC-UHFFFAOYSA-N 0 0 349.230 4.455 50 0 EIAARN O=C(CSCCOc1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000057684585 564155492 /nfs/dbraw/zinc/15/54/92/564155492.db2.gz FVVCCNFKNQSSMV-UHFFFAOYSA-N 0 0 347.867 4.041 50 0 EIAARN CN(Cc1ccco1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057748230 564155596 /nfs/dbraw/zinc/15/55/96/564155596.db2.gz OWYPVJXHQCFLKV-IBGZPJMESA-N 0 0 338.382 4.231 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)s1 ZINC000003250845 564156589 /nfs/dbraw/zinc/15/65/89/564156589.db2.gz MINJQSSODLZKRA-UHFFFAOYSA-N 0 0 344.219 4.159 50 0 EIAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2cc(Cl)ccc2o1 ZINC000003300084 564157163 /nfs/dbraw/zinc/15/71/63/564157163.db2.gz UBANCWAMPYEPAR-QWRGUYRKSA-N 0 0 338.860 4.363 50 0 EIAARN c1ccc(-n2nnnc2Oc2ccc3oc4ccccc4c3c2)cc1 ZINC000003317337 564157282 /nfs/dbraw/zinc/15/72/82/564157282.db2.gz WDIPRDNQWPBFOA-UHFFFAOYSA-N 0 0 328.331 4.354 50 0 EIAARN COc1ccc(CN(C)C(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003325958 564157346 /nfs/dbraw/zinc/15/73/46/564157346.db2.gz KHOJUKRCLCHXBI-UHFFFAOYSA-N 0 0 338.835 4.317 50 0 EIAARN Cc1cc(F)ccc1NCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003326926 564157378 /nfs/dbraw/zinc/15/73/78/564157378.db2.gz FLWHDPDGQUZHBY-UHFFFAOYSA-N 0 0 348.421 4.452 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)Cc2ccccc2F)cc1OCC ZINC000003334430 564157438 /nfs/dbraw/zinc/15/74/38/564157438.db2.gz YXHNUEMXDCSUMB-CQSZACIVSA-N 0 0 345.414 4.043 50 0 EIAARN O=C(COC(=O)c1cc2ccccc2cc1O)c1c[nH]c2ccccc21 ZINC000003345943 564157568 /nfs/dbraw/zinc/15/75/68/564157568.db2.gz IBYOFKNPHOFEEX-UHFFFAOYSA-N 0 0 345.354 4.066 50 0 aggregator EIAARN CC(=O)N[C@H](CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000003354713 564157638 /nfs/dbraw/zinc/15/76/38/564157638.db2.gz NQHMEYHBGWIDGT-LJQANCHMSA-N 0 0 338.451 4.324 50 0 EIAARN CCCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1nccs1 ZINC000003400588 564157963 /nfs/dbraw/zinc/15/79/63/564157963.db2.gz SSOVDTQKYQJGST-NSHDSACASA-N 0 0 346.481 4.022 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000003432700 564158109 /nfs/dbraw/zinc/15/81/09/564158109.db2.gz YYFMRFBUZOUODC-UHFFFAOYSA-N 0 0 337.206 4.133 50 0 EIAARN CCOc1ccc(-c2nc(COC(=O)c3ccc(C)o3)cs2)cc1 ZINC000003446689 564158157 /nfs/dbraw/zinc/15/81/57/564158157.db2.gz ROYRGQVADFMSFF-UHFFFAOYSA-N 0 0 343.404 4.467 50 0 EIAARN CCn1c(S[C@H](C)C(=O)c2ccccc2)nnc1-c1ccccc1 ZINC000003501356 564158543 /nfs/dbraw/zinc/15/85/43/564158543.db2.gz VLDUWWDYZRRTAS-CQSZACIVSA-N 0 0 337.448 4.329 50 0 EIAARN Cc1ccc2c(COC(=O)c3ccccc3Cl)cc(=O)oc2c1 ZINC000003507163 564158588 /nfs/dbraw/zinc/15/85/88/564158588.db2.gz QFTLQOYSUMAYNS-UHFFFAOYSA-N 0 0 328.751 4.112 50 0 EIAARN COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000003547317 564158878 /nfs/dbraw/zinc/15/88/78/564158878.db2.gz TXUHTNGVHZZDRA-UHFFFAOYSA-N 0 0 329.827 4.087 50 0 EIAARN Cc1cc(C(=O)CCC(=O)NCc2ccccc2Cl)c(C)s1 ZINC000003554480 564158902 /nfs/dbraw/zinc/15/89/02/564158902.db2.gz ZNSLDEQBFGQCSD-UHFFFAOYSA-N 0 0 335.856 4.298 50 0 EIAARN Cc1cc(=O)oc2cc(OC(=O)c3c(F)cccc3Cl)ccc12 ZINC000003566505 564158973 /nfs/dbraw/zinc/15/89/73/564158973.db2.gz RDTSARNVIGBILP-UHFFFAOYSA-N 0 0 332.714 4.113 50 0 EIAARN Cc1ccc(C)c(NC(=S)N(CCc2ccncc2)C(C)C)c1 ZINC000003588338 564159081 /nfs/dbraw/zinc/15/90/81/564159081.db2.gz BQHWRMZMAZQGRY-UHFFFAOYSA-N 0 0 327.497 4.348 50 0 EIAARN COCc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1 ZINC000031206127 564159119 /nfs/dbraw/zinc/15/91/19/564159119.db2.gz LGQBEQVHBOWUPC-UHFFFAOYSA-N 0 0 325.408 4.407 50 0 EIAARN O[C@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F ZINC000058745446 564159622 /nfs/dbraw/zinc/15/96/22/564159622.db2.gz XJWXDYZPIJITHZ-GFCCVEGCSA-N 0 0 334.700 4.038 50 0 EIAARN CCC(=O)Nc1ccc(C(=O)CSc2cccc(OC)c2)cc1 ZINC000031817402 564159949 /nfs/dbraw/zinc/15/99/49/564159949.db2.gz CLHZXUXHXFOMRQ-UHFFFAOYSA-N 0 0 329.421 4.019 50 0 EIAARN CCOC(=O)Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000004002576 564159968 /nfs/dbraw/zinc/15/99/68/564159968.db2.gz KDXZCFFKWRUYOP-FMIVXFBMSA-N 0 0 340.810 4.423 50 0 EIAARN Cc1c(-c2cccc(NC(=O)c3ccccc3F)c2)nc2ncccn12 ZINC000004033195 564160144 /nfs/dbraw/zinc/16/01/44/564160144.db2.gz QZEVBYITBPNRTL-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033428 564160155 /nfs/dbraw/zinc/16/01/55/564160155.db2.gz NGEDGNQJDCVHHA-AWEZNQCLSA-N 0 0 337.398 4.277 50 0 EIAARN O=C(c1c(Cl)cccc1Cl)n1oc(=O)cc1-c1ccccc1 ZINC000004042521 564160212 /nfs/dbraw/zinc/16/02/12/564160212.db2.gz PUEXUWNDXYQEBJ-UHFFFAOYSA-N 0 0 334.158 4.104 50 0 EIAARN Cn1nc(C(F)(F)F)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000004040974 564160223 /nfs/dbraw/zinc/16/02/23/564160223.db2.gz YAKOSLROQVWLFG-UHFFFAOYSA-N 0 0 345.630 4.298 50 0 EIAARN S=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000004059414 564160253 /nfs/dbraw/zinc/16/02/53/564160253.db2.gz MYTFHYVBHDSQPT-LJQANCHMSA-N 0 0 333.460 4.290 50 0 EIAARN C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000004073909 564160308 /nfs/dbraw/zinc/16/03/08/564160308.db2.gz UJVLDDZCTMKXJK-GOLQWDRCSA-N 0 0 340.463 4.370 50 0 EIAARN CCOC(=O)c1sc2nc(NC(=O)c3ccccc3)sc2c1C ZINC000004088245 564160462 /nfs/dbraw/zinc/16/04/62/564160462.db2.gz DJUNHBWPWXQFLL-UHFFFAOYSA-N 0 0 346.433 4.095 50 0 EIAARN O=C(CCc1ccccc1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000004087679 564160467 /nfs/dbraw/zinc/16/04/67/564160467.db2.gz QWTDHZTWNRLDLI-UHFFFAOYSA-N 0 0 343.839 4.430 50 0 EIAARN Cc1cc(C)n2nc(SCc3ccc(C(F)(F)F)cc3)nc2n1 ZINC000004089721 564160485 /nfs/dbraw/zinc/16/04/85/564160485.db2.gz BGROENJRRJGNEO-UHFFFAOYSA-N 0 0 338.358 4.052 50 0 EIAARN C[C@H]1CCC[C@@H](CCC#N)C1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004114483 564160670 /nfs/dbraw/zinc/16/06/70/564160670.db2.gz NPFNXRULYWTWIR-RYUDHWBXSA-N 0 0 345.359 4.011 50 0 EIAARN Cc1ccc(C(=O)N2CCN=C2SCc2ccc(F)cc2)cc1C ZINC000004119926 564160701 /nfs/dbraw/zinc/16/07/01/564160701.db2.gz QASDXHISNTUJRF-UHFFFAOYSA-N 0 0 342.439 4.188 50 0 EIAARN CC(=O)N(Cc1ccco1)[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000032105246 564160826 /nfs/dbraw/zinc/16/08/26/564160826.db2.gz HHJMAKRZTPNGIZ-OAQYLSRUSA-N 0 0 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C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1cccc2ccccc21 ZINC000008710171 564166607 /nfs/dbraw/zinc/16/66/07/564166607.db2.gz VYKUWIVVDMRMQT-CYBMUJFWSA-N 0 0 337.448 4.491 50 0 EIAARN Cc1cccc(-c2nnc(SCc3cn4cccc(C)c4n3)n2C)c1 ZINC000008710177 564166628 /nfs/dbraw/zinc/16/66/28/564166628.db2.gz JJQBAIKEIMOZGP-UHFFFAOYSA-N 0 0 349.463 4.039 50 0 EIAARN C[C@H](Nc1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000008720400 564166911 /nfs/dbraw/zinc/16/69/11/564166911.db2.gz JZNWZDBBWJUQAF-JTQLQIEISA-N 0 0 337.192 4.027 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1ccnn1CC1CCCCC1 ZINC000008750047 564167251 /nfs/dbraw/zinc/16/72/51/564167251.db2.gz PPYVWCASTDQKAV-UHFFFAOYSA-N 0 0 349.837 4.437 50 0 EIAARN Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000008762552 564167355 /nfs/dbraw/zinc/16/73/55/564167355.db2.gz OHNQBPXTWIHZKK-AWEZNQCLSA-N 0 0 334.419 4.378 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000068109936 564167490 /nfs/dbraw/zinc/16/74/90/564167490.db2.gz JKHHKBBMPOSBHD-UHFFFAOYSA-N 0 0 344.846 4.397 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CC(C)C[C@H](NC(=O)Cc1cccs1)c1nc2ccccc2[nH]1 ZINC000009115330 564169030 /nfs/dbraw/zinc/16/90/30/564169030.db2.gz AITAMOXJZXZAHO-INIZCTEOSA-N 0 0 327.453 4.071 50 0 EIAARN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc(-c2cccnc2)cc1 ZINC000245338838 564169101 /nfs/dbraw/zinc/16/91/01/564169101.db2.gz OVGURIZOSNHUCM-KYNGSXCRSA-N 0 0 332.403 4.323 50 0 EIAARN CC(C)CCC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000069416460 564169273 /nfs/dbraw/zinc/16/92/73/564169273.db2.gz NJJQSJVXTXYQJF-OAHLLOKOSA-N 0 0 345.418 4.018 50 0 EIAARN O=C([C@@H]1CC=CCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000069418589 564169323 /nfs/dbraw/zinc/16/93/23/564169323.db2.gz NCSIIBSYJQAYKE-IAGOWNOFSA-N 0 0 337.423 4.147 50 0 EIAARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1F ZINC000040478287 564169772 /nfs/dbraw/zinc/16/97/72/564169772.db2.gz MIZQCNKWUJKIBF-UHFFFAOYSA-N 0 0 345.761 4.130 50 0 EIAARN Cc1ccc(-c2nc(CSc3nnc(C4CC4)n3C)co2)c(C)c1 ZINC000040494151 564169967 /nfs/dbraw/zinc/16/99/67/564169967.db2.gz 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CC(C)C(=O)N1CC2(C[C@H]1COCc1ccccc1)CCCCC2 ZINC000257190860 1022755448 /nfs/dbraw/zinc/75/54/48/1022755448.db2.gz NZMHEBOFVZZJMO-IBGZPJMESA-N 0 0 329.484 4.411 50 0 EIAARN COc1ccccc1/C=C\C(=O)Nc1ccc(-c2ccnc(C)n2)cc1 ZINC000098006886 1023191416 /nfs/dbraw/zinc/19/14/16/1023191416.db2.gz RGGVBSZXZLVTJR-XFXZXTDPSA-N 0 0 345.402 4.113 50 0 EIAARN O=C(Cn1cc(-c2cccc3ccccc32)cn1)NC1CCCCC1 ZINC000675029902 1023341462 /nfs/dbraw/zinc/34/14/62/1023341462.db2.gz RIYDCGIFWZUSMV-UHFFFAOYSA-N 0 0 333.435 4.152 50 0 EIAARN O=C(/C=C\c1nc2ccccc2o1)N1CC=C(c2ccccc2)CC1 ZINC000096867783 1023442373 /nfs/dbraw/zinc/44/23/73/1023442373.db2.gz BPBMRNSHAVORFP-KHPPLWFESA-N 0 0 330.387 4.157 50 0 EIAARN O=C(c1ccc2c(c1)CCCCC2=O)N1CCC(c2ccncc2)CC1 ZINC000290338286 1023496442 /nfs/dbraw/zinc/49/64/42/1023496442.db2.gz DGLVPCUBDWMODF-UHFFFAOYSA-N 0 0 348.446 4.011 50 0 EIAARN CC(C)CN(C(=O)c1cnn(C(C)C)c1)[C@@H]1CCCc2cccnc21 ZINC000329881289 1023608972 /nfs/dbraw/zinc/60/89/72/1023608972.db2.gz 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Cc1cccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)c1C ZINC000032930409 202242582 /nfs/dbraw/zinc/24/25/82/202242582.db2.gz KIFYBAAAUQNPFI-UHFFFAOYSA-N 0 0 346.430 4.207 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCc2ccccc2C1 ZINC000032925352 202242745 /nfs/dbraw/zinc/24/27/45/202242745.db2.gz GESYPWRXVSYLTD-UHFFFAOYSA-N 0 0 336.313 4.175 50 0 EIAARN CCCCc1nc(C)c(C(=O)Nc2cccc(NC(=O)CC)c2)s1 ZINC000032924523 202242946 /nfs/dbraw/zinc/24/29/46/202242946.db2.gz FLTSHQXGLCEALF-UHFFFAOYSA-N 0 0 345.468 4.395 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 ZINC000032936769 202243823 /nfs/dbraw/zinc/24/38/23/202243823.db2.gz SXWPOMSVHFIFJQ-UHFFFAOYSA-N 0 0 339.420 4.186 50 0 EIAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)c4ccccc4)cc3c2C1 ZINC000032945382 202244017 /nfs/dbraw/zinc/24/40/17/202244017.db2.gz ALCJEERYTFCUQH-CQSZACIVSA-N 0 0 347.414 4.332 50 0 EIAARN Cc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)c(C)c1 ZINC000032958003 202244974 /nfs/dbraw/zinc/24/49/74/202244974.db2.gz OYNFMWJSIQJMSA-UHFFFAOYSA-N 0 0 346.434 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RTKMDGYGUVLYRC-UXHICEINSA-N 0 0 340.467 4.461 50 0 EIAARN Cc1ccc(C)c(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000072276851 203189397 /nfs/dbraw/zinc/18/93/97/203189397.db2.gz CCDKLFDIMHRTNH-QGZVFWFLSA-N 0 0 336.357 4.135 50 0 EIAARN CCOC[C@H]1CCCN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000072283375 203190836 /nfs/dbraw/zinc/19/08/36/203190836.db2.gz CETPXZNLQSUXKM-LBPRGKRZSA-N 0 0 344.427 4.282 50 0 EIAARN CNc1nc(CN2CCC[C@@H]2c2nc3ccccc3s2)cs1 ZINC000072148143 203171045 /nfs/dbraw/zinc/17/10/45/203171045.db2.gz ADBBGZLNRYSTJH-CYBMUJFWSA-N 0 0 330.482 4.132 50 0 EIAARN c1ccc2[nH]c(-c3ccc(OCc4nc(CC5CC5)no4)cc3)nc2c1 ZINC000072148508 203171441 /nfs/dbraw/zinc/17/14/41/203171441.db2.gz KMIVKTVUWDBSQF-UHFFFAOYSA-N 0 0 346.390 4.144 50 0 EIAARN Clc1ccccc1OC1CN(Cc2ccc([C@H]3CCCCO3)o2)C1 ZINC000072153449 203175090 /nfs/dbraw/zinc/17/50/90/203175090.db2.gz JMTOJAIVPFDWGO-GOSISDBHSA-N 0 0 347.842 4.438 50 0 EIAARN c1cc2c(nc(NCc3ccccn3)cc2-c2ccc3n[nH]cc3c2)[nH]1 ZINC000072155880 203175166 /nfs/dbraw/zinc/17/51/66/203175166.db2.gz DHPJGXZDVLJKPU-UHFFFAOYSA-N 0 0 340.390 4.113 50 0 EIAARN Cc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1CCn1cccn1 ZINC000072158517 203176260 /nfs/dbraw/zinc/17/62/60/203176260.db2.gz AJJGWTCBAKJJFB-HNNXBMFYSA-N 0 0 346.862 4.322 50 0 EIAARN Cc1cccc(Cl)c1NC(=O)N1CCCC[C@@H]1CCn1cccn1 ZINC000072158516 203176681 /nfs/dbraw/zinc/17/66/81/203176681.db2.gz AJJGWTCBAKJJFB-OAHLLOKOSA-N 0 0 346.862 4.322 50 0 EIAARN Cc1c[nH]c(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)c1 ZINC000072164931 203177933 /nfs/dbraw/zinc/17/79/33/203177933.db2.gz IKANKDOPKHXPQY-SFHVURJKSA-N 0 0 325.456 4.163 50 0 EIAARN CCCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000072170480 203181295 /nfs/dbraw/zinc/18/12/95/203181295.db2.gz JZIFNUOYJJSLIF-GOSISDBHSA-N 0 0 338.451 4.192 50 0 EIAARN O=C(NCc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1 ZINC000072193649 203183505 /nfs/dbraw/zinc/18/35/05/203183505.db2.gz IQGTXOLMPRTEHA-UHFFFAOYSA-N 0 0 328.371 4.425 50 0 EIAARN Nc1oc(-c2ccccc2)nc1-c1nnc(Nc2ccccc2)s1 ZINC000072238760 203183892 /nfs/dbraw/zinc/18/38/92/203183892.db2.gz NKLMGOPVGQSJBZ-UHFFFAOYSA-N 0 0 335.392 4.186 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)[nH]n2)cc1 ZINC000072238570 203184015 /nfs/dbraw/zinc/18/40/15/203184015.db2.gz AQOXBOXJOCVUMH-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN O=C(OC1CCCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000072273134 203187948 /nfs/dbraw/zinc/18/79/48/203187948.db2.gz WLEAJXAGTUAKPC-HXUWFJFHSA-N 0 0 334.419 4.480 50 0 EIAARN CSc1ccc(NC(=O)N[C@H](CCCO)c2ccccc2)cc1 ZINC000072294174 203195449 /nfs/dbraw/zinc/19/54/49/203195449.db2.gz MPPMOVXKWZOPLL-QGZVFWFLSA-N 0 0 330.453 4.044 50 0 EIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)N1CCCCCC1 ZINC000072309715 203200428 /nfs/dbraw/zinc/20/04/28/203200428.db2.gz SUCJNUVEUZAKPY-UHFFFAOYSA-N 0 0 336.457 4.210 50 0 EIAARN Cc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(Cl)c2c1 ZINC000072329829 203201264 /nfs/dbraw/zinc/20/12/64/203201264.db2.gz GGEUKYYCUZCQHN-UHFFFAOYSA-N 0 0 335.787 4.169 50 0 EIAARN Cn1c(C(=O)N2CCCC[C@H]2c2ccccn2)ccc1-c1ccccc1 ZINC000072447985 203226403 /nfs/dbraw/zinc/22/64/03/203226403.db2.gz KMECDHCZTIDQJF-FQEVSTJZSA-N 0 0 345.446 4.455 50 0 EIAARN Oc1ccc(O)c(-c2ccnc3c(-c4ccc(Cl)cc4)cnn32)c1 ZINC000072404101 203214504 /nfs/dbraw/zinc/21/45/04/203214504.db2.gz QJGJCDCFNKWLBQ-UHFFFAOYSA-N 0 0 337.766 4.128 50 0 EIAARN COc1cccc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccs2)c1 ZINC000072404321 203214698 /nfs/dbraw/zinc/21/46/98/203214698.db2.gz QLOPEDLSOYXFPE-HNNXBMFYSA-N 0 0 339.420 4.125 50 0 EIAARN O=C(CCn1ccc2c1cccc2Cl)N1CCc2ccccc2C1 ZINC000072404063 203214957 /nfs/dbraw/zinc/21/49/57/203214957.db2.gz IUKBIZWAFWYAFL-UHFFFAOYSA-N 0 0 338.838 4.270 50 0 EIAARN Cn1c(C(=O)N2CCC(c3ccccc3)CC2)cc2cc(F)ccc21 ZINC000072404160 203214969 /nfs/dbraw/zinc/21/49/69/203214969.db2.gz SDTRHWIFIONZKC-UHFFFAOYSA-N 0 0 336.410 4.337 50 0 EIAARN COc1ccccc1[C@H]1CC(=O)Nc2c1cnn2Cc1cccs1 ZINC000072405562 203214998 /nfs/dbraw/zinc/21/49/98/203214998.db2.gz UXVKOELGQSUAEM-CQSZACIVSA-N 0 0 339.420 4.125 50 0 EIAARN CCc1nc(C)sc1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 ZINC000072404077 203215138 /nfs/dbraw/zinc/21/51/38/203215138.db2.gz PNWGCTRRTCSADF-UHFFFAOYSA-N 0 0 340.452 4.069 50 0 EIAARN CC[C@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn21)c1cccnc1 ZINC000072411976 203216908 /nfs/dbraw/zinc/21/69/08/203216908.db2.gz DNNFQECYRPMCME-KRWDZBQOSA-N 0 0 347.397 4.494 50 0 EIAARN CC(C)(O)CCc1cccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000072410474 203216921 /nfs/dbraw/zinc/21/69/21/203216921.db2.gz DOGWBIWZBRGSLH-LJQANCHMSA-N 0 0 341.426 4.116 50 0 EIAARN c1ccc2c(c1)OC[C@@H](c1nnc(SCC3CCCCC3)o1)O2 ZINC000072750999 203243958 /nfs/dbraw/zinc/24/39/58/203243958.db2.gz BJHDYEYLYFEHTL-HNNXBMFYSA-N 0 0 332.425 4.255 50 0 EIAARN COc1ccc(-c2nc(CSCCc3ccccn3)co2)cc1 ZINC000073641111 203270567 /nfs/dbraw/zinc/27/05/67/203270567.db2.gz KXMOWGZHBZOYMB-UHFFFAOYSA-N 0 0 326.421 4.221 50 0 EIAARN C[C@@H](NC(=O)c1cc(F)ccc1F)c1cccc(Br)c1 ZINC000020029746 212094677 /nfs/dbraw/zinc/09/46/77/212094677.db2.gz OXQSCFLWMDLSJD-SECBINFHSA-N 0 0 340.167 4.218 50 0 EIAARN CCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)c1ccccc1C ZINC000073982007 203277246 /nfs/dbraw/zinc/27/72/46/203277246.db2.gz NCBJZKLZAKUJBE-UHFFFAOYSA-N 0 0 327.472 4.060 50 0 EIAARN C[C@@H](O)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000075147290 203307831 /nfs/dbraw/zinc/30/78/31/203307831.db2.gz JSRVJEKVWPVWDA-SNVBAGLBSA-N 0 0 339.222 4.097 50 0 EIAARN Cc1noc(C)c1NC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000075145988 203308047 /nfs/dbraw/zinc/30/80/47/203308047.db2.gz JXLCJKKGMDRTTQ-LBPRGKRZSA-N 0 0 347.724 4.370 50 0 EIAARN CC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C)CCCC3)cc1 ZINC000075148050 203308417 /nfs/dbraw/zinc/30/84/17/203308417.db2.gz BTVMQKNTUBRXDP-UHFFFAOYSA-N 0 0 342.464 4.075 50 0 EIAARN COc1ccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2C)cc1 ZINC000075437100 203314961 /nfs/dbraw/zinc/31/49/61/203314961.db2.gz KUKADQXVZBQDCE-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 EIAARN CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000075351522 203312556 /nfs/dbraw/zinc/31/25/56/203312556.db2.gz QWCXCVWWCLAIRV-UHFFFAOYSA-N 0 0 332.407 4.027 50 0 EIAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(F)c(F)c2)N1c1cccc(Cl)c1 ZINC000075402977 203313831 /nfs/dbraw/zinc/31/38/31/203313831.db2.gz DASPTHKYVBHSGO-DLBZAZTESA-N 0 0 348.780 4.128 50 0 EIAARN Cc1ccc2[nH]c(-c3ccc(C)c(NC(=O)c4cccnc4)c3)nc2c1 ZINC000075421500 203314517 /nfs/dbraw/zinc/31/45/17/203314517.db2.gz IDLCYRHSGBQYPD-UHFFFAOYSA-N 0 0 342.402 4.494 50 0 EIAARN Fc1cc2ncc(NCc3ncoc3-c3ccccc3)nc2cc1F ZINC000075109961 203302142 /nfs/dbraw/zinc/30/21/42/203302142.db2.gz CMVPGGWZUIUKRI-UHFFFAOYSA-N 0 0 338.317 4.175 50 0 EIAARN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3)c(C)s2)on1 ZINC000075435327 203314814 /nfs/dbraw/zinc/31/48/14/203314814.db2.gz SWYSLUUGVKJZHX-UHFFFAOYSA-N 0 0 348.449 4.129 50 0 EIAARN CCCNC(=O)c1cc(-c2ccncc2)cn1Cc1ccc(C)cc1 ZINC000075508916 203316425 /nfs/dbraw/zinc/31/64/25/203316425.db2.gz FMJDBNZWWZRALJ-UHFFFAOYSA-N 0 0 333.435 4.047 50 0 EIAARN CCCc1nc(-c2c(C)cc(C)nc2NC(=O)c2cccs2)no1 ZINC000075550995 203318094 /nfs/dbraw/zinc/31/80/94/203318094.db2.gz ULHBKMXYUDTFTK-UHFFFAOYSA-N 0 0 342.424 4.015 50 0 EIAARN Cc1ccc(CCn2c3ccc(F)cc3c3c2CCCN(C)C3)cn1 ZINC000075567473 203318558 /nfs/dbraw/zinc/31/85/58/203318558.db2.gz ZJYMYNTZHZVLCB-UHFFFAOYSA-N 0 0 337.442 4.105 50 0 EIAARN Cc1ccc(C(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)c(=O)[nH]1 ZINC000076066824 203335079 /nfs/dbraw/zinc/33/50/79/203335079.db2.gz CDTFGARAAZTPRQ-QGZVFWFLSA-N 0 0 334.504 4.386 50 0 EIAARN COCc1nc(C)cc(N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)n1 ZINC000076091825 203337270 /nfs/dbraw/zinc/33/72/70/203337270.db2.gz ISXURUWOFQEVEG-ROUUACIJSA-N 0 0 325.456 4.012 50 0 EIAARN O=C(CCc1cc(Cl)no1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077287279 203376932 /nfs/dbraw/zinc/37/69/32/203376932.db2.gz DLTXIMQBIFAQKW-OAHLLOKOSA-N 0 0 336.794 4.154 50 0 EIAARN CC(C)c1noc([C@@H]2CCCN2Cc2cncn2C2CCCCC2)n1 ZINC000077285634 203377433 /nfs/dbraw/zinc/37/74/33/203377433.db2.gz IODCLVHHPUABOC-KRWDZBQOSA-N 0 0 343.475 4.232 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3c3cc(C)no3)c2c1 ZINC000077287686 203377844 /nfs/dbraw/zinc/37/78/44/203377844.db2.gz SZBHOQNPDQGMDY-IBGZPJMESA-N 0 0 349.434 4.379 50 0 EIAARN CC(C)Cn1nccc1NC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000076937551 203367169 /nfs/dbraw/zinc/36/71/69/203367169.db2.gz KTRRWTBFNOMKHT-HNNXBMFYSA-N 0 0 330.432 4.281 50 0 EIAARN CCOC(=O)c1cnc2ccc(OC)cc2c1NCc1ccccc1 ZINC000019791960 212068247 /nfs/dbraw/zinc/06/82/47/212068247.db2.gz WVQDCAUNYTWULI-UHFFFAOYSA-N 0 0 336.391 4.032 50 0 EIAARN CN(C)c1ccccc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077408080 203387302 /nfs/dbraw/zinc/38/73/02/203387302.db2.gz PGQHLROQUCACDN-GOSISDBHSA-N 0 0 326.415 4.259 50 0 EIAARN CC(=O)c1cc(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cs1 ZINC000077422527 203387644 /nfs/dbraw/zinc/38/76/44/203387644.db2.gz LPWGBNVGVOKBJI-QGZVFWFLSA-N 0 0 345.439 4.386 50 0 EIAARN CN(Cc1cccc2ncccc12)C(=O)c1cc(-c2ccccc2)on1 ZINC000077436269 203388021 /nfs/dbraw/zinc/38/80/21/203388021.db2.gz WUCFAMFNIHZXCF-UHFFFAOYSA-N 0 0 343.386 4.162 50 0 EIAARN CCCc1nc(C(=O)N2CCCC[C@@H]2c2cccc(OC)c2)cs1 ZINC000077469876 203389997 /nfs/dbraw/zinc/38/99/97/203389997.db2.gz QDDCSNZGMBQZEW-QGZVFWFLSA-N 0 0 344.480 4.472 50 0 EIAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc(C)nc2ccc(C)cc21 ZINC000077485459 203391096 /nfs/dbraw/zinc/39/10/96/203391096.db2.gz MXICBXMVVDANNZ-LJQANCHMSA-N 0 0 349.434 4.434 50 0 EIAARN COc1ccc(CCCC(=O)N(C)Cc2cccc3ncccc23)cc1 ZINC000077517429 203393133 /nfs/dbraw/zinc/39/31/33/203393133.db2.gz DOXNKCFIAQMUNT-UHFFFAOYSA-N 0 0 348.446 4.225 50 0 EIAARN Cc1c2cccc(F)c2oc1C(=O)N(C)[C@@H](c1ccccn1)C1CC1 ZINC000077535060 203393948 /nfs/dbraw/zinc/39/39/48/203393948.db2.gz YKPIYNNBMLCTIK-QGZVFWFLSA-N 0 0 338.382 4.499 50 0 EIAARN CN(Cc1cccc2cnccc21)C(=O)C1=Cc2ccccc2OC=C1 ZINC000082136699 203498360 /nfs/dbraw/zinc/49/83/60/203498360.db2.gz PCUOHTVLXQFUHA-UHFFFAOYSA-N 0 0 342.398 4.183 50 0 EIAARN Cc1nc([C@@H](C)NC(=O)c2cc(C)nc3c(C)cccc23)c(C)s1 ZINC000082157431 203499782 /nfs/dbraw/zinc/49/97/82/203499782.db2.gz KEPNKDNXPBZHRT-GFCCVEGCSA-N 0 0 339.464 4.416 50 0 EIAARN CC[C@@H](C)[C@H](C(=O)NCC1(CCO)CCCCC1)c1ccccc1 ZINC000084721590 203537061 /nfs/dbraw/zinc/53/70/61/203537061.db2.gz NPDPGKLGWITRKF-MJGOQNOKSA-N 0 0 331.500 4.265 50 0 EIAARN CC(=O)c1c[nH]c(C(=O)Nc2cccc(COC3CCCCC3)c2)c1 ZINC000089265780 203571417 /nfs/dbraw/zinc/57/14/17/203571417.db2.gz KGDGYNCPRNUORI-UHFFFAOYSA-N 0 0 340.423 4.319 50 0 EIAARN COCC[C@H]1CCCCN1C(=O)c1[nH]c2c(cc(C)cc2C)c1C ZINC000091663347 203644352 /nfs/dbraw/zinc/64/43/52/203644352.db2.gz TWFQWFPGOLANSN-MRXNPFEDSA-N 0 0 328.456 4.124 50 0 EIAARN CCc1c(C)scc1C(=O)N1CCCC[C@H]1CCn1ccnc1C ZINC000091713077 203648015 /nfs/dbraw/zinc/64/80/15/203648015.db2.gz LQYXJPXJKZSBRV-INIZCTEOSA-N 0 0 345.512 4.209 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc(Br)ccc1F ZINC000019506988 212034813 /nfs/dbraw/zinc/03/48/13/212034813.db2.gz DDOZTLKWCLEZEI-JTQLQIEISA-N 0 0 334.188 4.180 50 0 EIAARN Fc1cccc(C(F)(F)F)c1N1CCN(Cc2ccccc2)CC1 ZINC000095080911 203711790 /nfs/dbraw/zinc/71/17/90/203711790.db2.gz BVVHBFQMGDYBPR-UHFFFAOYSA-N 0 0 338.348 4.167 50 0 EIAARN Cc1ccc2c(c1)nc(N1C[C@H](C)O[C@@H](C)C1)nc2-c1ccccc1 ZINC000095115982 203713670 /nfs/dbraw/zinc/71/36/70/203713670.db2.gz XBZIWRYPXVTDGX-HOTGVXAUSA-N 0 0 333.435 4.219 50 0 EIAARN Cc1ccc(-c2csc3ncnc(N(C)Cc4ncc[nH]4)c23)cc1C ZINC000095398671 203730259 /nfs/dbraw/zinc/73/02/59/203730259.db2.gz FETYRRFCTVNISH-UHFFFAOYSA-N 0 0 349.463 4.335 50 0 EIAARN CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)(C)O)cc1 ZINC000095454285 203745412 /nfs/dbraw/zinc/74/54/12/203745412.db2.gz KCKKJUIGOXUQJG-UHFFFAOYSA-N 0 0 341.451 4.056 50 0 EIAARN CCCCc1nc(C)sc1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000095472912 203748411 /nfs/dbraw/zinc/74/84/11/203748411.db2.gz IRYLDHIREBYPEV-QGZVFWFLSA-N 0 0 344.480 4.008 50 0 EIAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nccs1 ZINC000095477827 203749557 /nfs/dbraw/zinc/74/95/57/203749557.db2.gz QXINDOWFIQIQPP-AWEZNQCLSA-N 0 0 345.855 4.411 50 0 EIAARN COc1cccc(-c2nnc(NCc3ccc(Cl)cc3)o2)c1OC 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Cc1nc(C(C)C)c(C(=O)Nc2nc(-c3cccnc3)cs2)s1 ZINC000096231399 203878887 /nfs/dbraw/zinc/87/88/87/203878887.db2.gz KGECQDSPZPRYPK-UHFFFAOYSA-N 0 0 344.465 4.346 50 0 EIAARN COc1ccc(/C=C\c2noc(C)c2NC(=O)c2cccs2)cc1 ZINC000096936937 203902644 /nfs/dbraw/zinc/90/26/44/203902644.db2.gz WVIJTBHLHKTGCG-YFHOEESVSA-N 0 0 340.404 4.476 50 0 EIAARN COc1ccc(NC(=O)N[C@H](CC(C)C)c2cccnc2)c(F)c1 ZINC000097436915 203945116 /nfs/dbraw/zinc/94/51/16/203945116.db2.gz KEJYCICNYORPOW-QGZVFWFLSA-N 0 0 331.391 4.138 50 0 EIAARN Cc1nc(-c2ccccc2)sc1NC(=O)N(C)Cc1ccncc1 ZINC000097107756 203919659 /nfs/dbraw/zinc/91/96/59/203919659.db2.gz BEIYSNYVEFMFLG-UHFFFAOYSA-N 0 0 338.436 4.177 50 0 EIAARN NC(=O)c1ccc(OC(=O)/C=C\c2cccc(-c3ccccc3)c2)cc1 ZINC000098054740 203981225 /nfs/dbraw/zinc/98/12/25/203981225.db2.gz SZCPZXHVQXOSKC-ZROIWOOFSA-N 0 0 343.382 4.071 50 0 EIAARN O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(F)cc1 ZINC000100469473 203993658 /nfs/dbraw/zinc/99/36/58/203993658.db2.gz QPAPKKSCKICNOT-RVDMUPIBSA-N 0 0 328.368 4.448 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CC(C)c1nc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)no1 ZINC000133760850 205377651 /nfs/dbraw/zinc/37/76/51/205377651.db2.gz LYVZCEFDZIEUEW-KRWDZBQOSA-N 0 0 342.830 4.121 50 0 EIAARN CC(C)[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl ZINC000000086833 205399987 /nfs/dbraw/zinc/39/99/87/205399987.db2.gz MOWKPRHIVJNEAX-QWHCGFSZSA-N 0 0 329.223 4.459 50 0 EIAARN COc1cc(OC)cc(C(=O)OCc2ccc(C(C)(C)C)cc2)c1 ZINC000000150953 205416261 /nfs/dbraw/zinc/41/62/61/205416261.db2.gz DMCDNAVAEFKXED-UHFFFAOYSA-N 0 0 328.408 4.358 50 0 EIAARN COc1ccc(C[C@@H]2COC[C@@H](Cc3ccc(OC)cc3)C2)cc1 ZINC000000343808 205434391 /nfs/dbraw/zinc/43/43/91/205434391.db2.gz SVWSGSSJFISNAD-OALUTQOASA-N 0 0 326.436 4.142 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000000579757 205487993 /nfs/dbraw/zinc/48/79/93/205487993.db2.gz FUYNZYAGQWDIAM-SNVBAGLBSA-N 0 0 340.206 4.408 50 0 EIAARN CCOc1ccc(/C=C2\SC(=O)N([C@@H](C)CC)C2=O)c(OCC)c1 ZINC000000980955 205572910 /nfs/dbraw/zinc/57/29/10/205572910.db2.gz 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Cc1cc(C)c(NC(=O)N2CC(Oc3ccc(F)cc3)C2)c(C)c1 ZINC000299777918 258087440 /nfs/dbraw/zinc/08/74/40/258087440.db2.gz ODRFQAHRBBUEDR-UHFFFAOYSA-N 0 0 328.387 4.046 50 0 EIAARN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccn1C1CC1 ZINC000299782273 258090675 /nfs/dbraw/zinc/09/06/75/258090675.db2.gz SKELROUNFHKHPT-KRWDZBQOSA-N 0 0 336.435 4.389 50 0 EIAARN CC[C@H]1CN(Cc2ccc(OC)c(O)c2)Cc2ccc(Cl)cc2O1 ZINC000299798531 258102550 /nfs/dbraw/zinc/10/25/50/258102550.db2.gz SVVNNBFKKOGYBM-INIZCTEOSA-N 0 0 347.842 4.227 50 0 EIAARN CN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2ccc3[nH]ccc3c2)c1 ZINC000299801434 258104070 /nfs/dbraw/zinc/10/40/70/258104070.db2.gz YEPFCGWTGORHFQ-FQEVSTJZSA-N 0 0 348.446 4.476 50 0 EIAARN Cc1ccc2nc(-c3ccccc3)c(CSc3nncs3)n2c1 ZINC000012535033 258054665 /nfs/dbraw/zinc/05/46/65/258054665.db2.gz KKXKNFJCMDLOGU-UHFFFAOYSA-N 0 0 338.461 4.454 50 0 EIAARN CCc1cnc(CNc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)o1 ZINC000095414851 258066919 /nfs/dbraw/zinc/06/69/19/258066919.db2.gz PDSIJIOAOJIYMC-CQSZACIVSA-N 0 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JPHNGHVVVJQBDD-HNNXBMFYSA-N 0 0 329.465 4.476 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000000252741 135647826 /nfs/dbraw/zinc/64/78/26/135647826.db2.gz AESRKWUVCJXRRL-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN CCOc1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1 ZINC000000446298 135650569 /nfs/dbraw/zinc/65/05/69/135650569.db2.gz IDFOPXVTCDECSB-UHFFFAOYSA-N 0 0 343.382 4.138 50 0 EIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000000470815 135651201 /nfs/dbraw/zinc/65/12/01/135651201.db2.gz SKBRBBFYHHGKGG-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccccc2)CC1 ZINC000002562093 135657889 /nfs/dbraw/zinc/65/78/89/135657889.db2.gz ILWXJCHWTLCZAM-UHFFFAOYSA-N 0 0 345.899 4.167 50 0 EIAARN CCC(=O)N1c2ccc(C)cc2[C@@H](OC(=O)c2ccccc2)C[C@@H]1C ZINC000004992862 135668943 /nfs/dbraw/zinc/66/89/43/135668943.db2.gz FMYJZUSFKVVZIP-KXBFYZLASA-N 0 0 337.419 4.428 50 0 EIAARN C[C@H](c1ccccc1)N1CNC(=S)N(c2ccccc2Cl)C1 ZINC000012401913 135694770 /nfs/dbraw/zinc/69/47/70/135694770.db2.gz POYHUBOZTGTCIB-CYBMUJFWSA-N 0 0 331.872 4.013 50 0 EIAARN O=C(Nc1ccccc1N1CCCCC1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000024006917 135731092 /nfs/dbraw/zinc/73/10/92/135731092.db2.gz GTHPNMPXVOSVNI-SJPCQFCGSA-N 0 0 340.467 4.011 50 0 EIAARN O=C(Cc1ccccc1F)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024467363 135732479 /nfs/dbraw/zinc/73/24/79/135732479.db2.gz CJHDGSSANYWYAF-UHFFFAOYSA-N 0 0 337.316 4.366 50 0 EIAARN COc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 ZINC000000149046 518142726 /nfs/dbraw/zinc/14/27/26/518142726.db2.gz SIPKQAGKXSTTKR-UHFFFAOYSA-N 0 0 338.432 4.390 50 0 EIAARN Clc1ccc(CNc2ccc(CNc3nc[nH]n3)cc2)c(Cl)c1 ZINC000005139979 518194615 /nfs/dbraw/zinc/19/46/15/518194615.db2.gz VHSZPXHYNHFKED-UHFFFAOYSA-N 0 0 348.237 4.336 50 0 EIAARN O=C(Nc1cnn(Cc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000006240458 518201181 /nfs/dbraw/zinc/20/11/81/518201181.db2.gz BWRHXTQTOCUWCX-UHFFFAOYSA-N 0 0 335.451 4.086 50 0 EIAARN CCCc1nc(C(=O)N(C)CCSc2ccc(C)cc2)cs1 ZINC000092020872 521475148 /nfs/dbraw/zinc/47/51/48/521475148.db2.gz BAPDGXDVIRUNJB-UHFFFAOYSA-N 0 0 334.510 4.268 50 0 EIAARN CC[C@@H](C(=O)OCc1nc(-c2ccc(C)cc2)no1)c1ccccc1 ZINC000012863264 521895039 /nfs/dbraw/zinc/89/50/39/521895039.db2.gz GCFPLXQUUNOPGJ-QGZVFWFLSA-N 0 0 336.391 4.282 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000028910098 524772821 /nfs/dbraw/zinc/77/28/21/524772821.db2.gz IMLOLQXFLYJOIE-ZDUSSCGKSA-N 0 0 337.341 4.098 50 0 EIAARN Cc1ccccc1SCC(=O)OCCCC(=O)c1ccc(F)cc1 ZINC000007986484 525339490 /nfs/dbraw/zinc/33/94/90/525339490.db2.gz XBBBFEWOKJCTFG-UHFFFAOYSA-N 0 0 346.423 4.433 50 0 EIAARN COc1ccc2c(c1)[C@@H](C)N(C(=O)c1nc(C(C)C)cs1)CC2 ZINC000299769554 525574952 /nfs/dbraw/zinc/57/49/52/525574952.db2.gz NXIMWGFHNAMYNO-GFCCVEGCSA-N 0 0 330.453 4.035 50 0 EIAARN Cc1ccnc(-c2ccc(NC(=O)N(C)[C@@H](C)c3ccccn3)cc2)n1 ZINC000096406987 525626456 /nfs/dbraw/zinc/62/64/56/525626456.db2.gz ITCCFBMUQSSRJH-HNNXBMFYSA-N 0 0 347.422 4.072 50 0 EIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCCc1ccccc1 ZINC000002738359 525945302 /nfs/dbraw/zinc/94/53/02/525945302.db2.gz XRBFODXBZXCQRR-HNNXBMFYSA-N 0 0 331.843 4.246 50 0 EIAARN CO[C@@H](CSCc1noc(-c2scnc2C)n1)c1ccccc1 ZINC000252496357 536517674 /nfs/dbraw/zinc/51/76/74/536517674.db2.gz PHNJDMDRQPYTCM-ZDUSSCGKSA-N 0 0 347.465 4.122 50 0 EIAARN CC(C)(C)c1cnc(C2CCN(C(=O)c3c(F)cccc3F)CC2)o1 ZINC000227163787 535137730 /nfs/dbraw/zinc/13/77/30/535137730.db2.gz VBWVXMCNFUHPQP-UHFFFAOYSA-N 0 0 348.393 4.270 50 0 EIAARN CC(C)(C)c1cnc(C2CCN(C(=O)c3cccc(F)c3F)CC2)o1 ZINC000227163795 535138951 /nfs/dbraw/zinc/13/89/51/535138951.db2.gz LEYOWOZIJNLZPH-UHFFFAOYSA-N 0 0 348.393 4.270 50 0 EIAARN CC(C)c1cc(C(=O)N(C(C)C)C2CCOCC2)c2ccccc2n1 ZINC000193157910 535342421 /nfs/dbraw/zinc/34/24/21/535342421.db2.gz KLZMGWWXSNUXDV-UHFFFAOYSA-N 0 0 340.467 4.388 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)n[nH]2)cc1 ZINC000051315535 535692610 /nfs/dbraw/zinc/69/26/10/535692610.db2.gz YBXUJDBHSKKLPF-UHFFFAOYSA-N 0 0 347.418 4.068 50 0 EIAARN CCOc1ccc(NC(=O)N2C[C@@H](CC)Oc3ccccc32)cc1 ZINC000006844635 535744445 /nfs/dbraw/zinc/74/44/45/535744445.db2.gz FINYXEBMDYCNCL-OAHLLOKOSA-N 0 0 326.396 4.295 50 0 EIAARN CO[C@H]1CCCN(c2ccc(NC(=O)Nc3cccs3)cc2)C1 ZINC000096122501 536712015 /nfs/dbraw/zinc/71/20/15/536712015.db2.gz VUVJTAKOEIBBSB-HNNXBMFYSA-N 0 0 331.441 4.007 50 0 EIAARN CSc1ncccc1C(=O)Nc1ccc(C)cc1Br ZINC000015316191 563782336 /nfs/dbraw/zinc/78/23/36/563782336.db2.gz WVUJQJVRRHFFIK-UHFFFAOYSA-N 0 0 337.242 4.127 50 0 EIAARN CCSc1cc(Cl)ccc1C(=O)O[C@@H](C)c1nnc(C)o1 ZINC000096503102 563955896 /nfs/dbraw/zinc/95/58/96/563955896.db2.gz XBYYPSGMXBZKPX-QMMMGPOBSA-N 0 0 326.805 4.061 50 0 EIAARN COC(=O)Nc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1 ZINC000263639672 563984330 /nfs/dbraw/zinc/98/43/30/563984330.db2.gz CZPWRPINTZIUGD-UHFFFAOYSA-N 0 0 337.710 4.056 50 0 EIAARN CNc1nc2c(s1)[C@H](c1ccccc1Br)CC(=O)N2 ZINC000061721064 564000460 /nfs/dbraw/zinc/00/04/60/564000460.db2.gz LOBWJZLQLSZMDI-QMMMGPOBSA-N 0 0 338.230 4.071 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)Nc1cccc(Cl)c1 ZINC000000149979 563245717 /nfs/dbraw/zinc/24/57/17/563245717.db2.gz SQGYGJYLBBNULC-UHFFFAOYSA-N 0 0 338.816 4.449 50 0 EIAARN COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000000289956 563273477 /nfs/dbraw/zinc/27/34/77/563273477.db2.gz PWXVKWQJAHTEJE-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1 ZINC000000355335 563290875 /nfs/dbraw/zinc/29/08/75/563290875.db2.gz NHSJKBWBXNSWLY-WFASDCNBSA-N 0 0 338.289 4.323 50 0 EIAARN COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1 ZINC000005138167 560200821 /nfs/dbraw/zinc/20/08/21/560200821.db2.gz VTRWMTJQBQJKQH-UHFFFAOYSA-N 0 0 330.453 4.188 50 0 in-vitro EIAARN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1Br ZINC000000038375 563212301 /nfs/dbraw/zinc/21/23/01/563212301.db2.gz HSRZTTHIWFNWAD-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O ZINC000000039451 563212708 /nfs/dbraw/zinc/21/27/08/563212708.db2.gz LPEPZZAVFJPLNZ-GOSISDBHSA-N 0 0 340.375 4.019 50 0 biogenic,in-vitro EIAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)c1ccc2ccccc2c1 ZINC000000044899 563213144 /nfs/dbraw/zinc/21/31/44/563213144.db2.gz YXDGNSIZTUIGBL-UHFFFAOYSA-N 0 0 348.789 4.086 50 0 EIAARN Cc1c(NC(=O)Cc2ccccc2)cccc1-c1nc2ncccc2o1 ZINC000000046843 563213392 /nfs/dbraw/zinc/21/33/92/563213392.db2.gz RNXADKBONYTVPV-UHFFFAOYSA-N 0 0 343.386 4.379 50 0 EIAARN Nc1c2ccc(-c3cccnc3)nc2sc1C(=O)c1ccccc1 ZINC000000050534 563213443 /nfs/dbraw/zinc/21/34/43/563213443.db2.gz YOOZRPHIVIXNJL-UHFFFAOYSA-N 0 0 331.400 4.172 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000000048078 563213492 /nfs/dbraw/zinc/21/34/92/563213492.db2.gz WIELOPPOHTVXTM-UHFFFAOYSA-N 0 0 341.407 4.004 50 0 EIAARN CCOC(=O)c1ccc(NC(=S)NCc2ccccc2Cl)cc1 ZINC000000056306 563213750 /nfs/dbraw/zinc/21/37/50/563213750.db2.gz BDQLCRGNQWBCSU-UHFFFAOYSA-N 0 0 348.855 4.003 50 0 EIAARN Cc1ccccc1N1C[C@H](C(=O)Nc2ccc3ccccc3c2)CC1=O ZINC000000060171 563214129 /nfs/dbraw/zinc/21/41/29/563214129.db2.gz LHHHXEJAOGTQEO-GOSISDBHSA-N 0 0 344.414 4.140 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 ZINC000000064667 563214394 /nfs/dbraw/zinc/21/43/94/563214394.db2.gz VFKWHUKPBXSNOU-UHFFFAOYSA-N 0 0 349.839 4.319 50 0 EIAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000000070067 563214783 /nfs/dbraw/zinc/21/47/83/563214783.db2.gz REVGNIDTOSRNDP-NRFANRHFSA-N 0 0 344.414 4.462 50 0 EIAARN COc1cc(C(F)(F)F)c(C(=O)N(C)c2ccc(Cl)cc2)cn1 ZINC000000077714 563217619 /nfs/dbraw/zinc/21/76/19/563217619.db2.gz PFRSUJZPKONYCC-UHFFFAOYSA-N 0 0 344.720 4.039 50 0 EIAARN CSc1nnc2c(n1)O[C@H](c1ccc(C)s1)Nc1ccccc1-2 ZINC000000086661 563220706 /nfs/dbraw/zinc/22/07/06/563220706.db2.gz LQOCHDSDUKJFDW-CQSZACIVSA-N 0 0 342.449 4.134 50 0 EIAARN CC1=C(OC(=O)c2ccccc2)C(C)(C)[C@H](c2ccccc2)OC1=O ZINC000000087363 563221135 /nfs/dbraw/zinc/22/11/35/563221135.db2.gz UXXMZHQXFIACTH-SFHVURJKSA-N 0 0 336.387 4.442 50 0 EIAARN CCCc1cc2c(cc1NC(=O)c1ccccc1SC)OCO2 ZINC000000106756 563228398 /nfs/dbraw/zinc/22/83/98/563228398.db2.gz BOSDIIWNSAEMAJ-UHFFFAOYSA-N 0 0 329.421 4.342 50 0 EIAARN S=C(NCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1 ZINC000000107375 563228518 /nfs/dbraw/zinc/22/85/18/563228518.db2.gz PBOHFTZYRUWRAC-UHFFFAOYSA-N 0 0 329.856 4.350 50 0 EIAARN COc1ccc(Br)c(-c2nc(-c3ccccc3)no2)c1 ZINC000000114212 563231175 /nfs/dbraw/zinc/23/11/75/563231175.db2.gz SBPZNNRTEQZRFY-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN CCn1c(=O)c2c(nc1SC)-c1ccccc1CC21CCCCC1 ZINC000000119076 563233346 /nfs/dbraw/zinc/23/33/46/563233346.db2.gz AFGDRVXPCMLENL-UHFFFAOYSA-N 0 0 340.492 4.410 50 0 biogenic EIAARN CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2C)cc1 ZINC000000121428 563234383 /nfs/dbraw/zinc/23/43/83/563234383.db2.gz IURMDCUUXUFZQF-UHFFFAOYSA-N 0 0 326.440 4.167 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)Nc1ccccc1)CCCC2 ZINC000000134221 563239854 /nfs/dbraw/zinc/23/98/54/563239854.db2.gz NMCXMDYRAGZKQQ-UHFFFAOYSA-N 0 0 330.409 4.058 50 0 EIAARN CCOc1ccc(NC(=O)Cc2ccc(OCC)c(OCC)c2)cc1 ZINC000000142765 563242909 /nfs/dbraw/zinc/24/29/09/563242909.db2.gz RYONHXVZYXREGP-UHFFFAOYSA-N 0 0 343.423 4.064 50 0 EIAARN CCOC(=O)Oc1ccc2c(c1)occ(Oc1ccc(C)cc1)c2=O ZINC000000144798 563243926 /nfs/dbraw/zinc/24/39/26/563243926.db2.gz OKOQCBGFANZIAA-UHFFFAOYSA-N 0 0 340.331 4.429 50 0 EIAARN CCc1cccc(CC)c1NC(=O)c1cncc(Br)c1 ZINC000000145171 563243958 /nfs/dbraw/zinc/24/39/58/563243958.db2.gz YUAYDBIWIZLROG-UHFFFAOYSA-N 0 0 333.229 4.221 50 0 EIAARN CC(C)=CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000149008 563245374 /nfs/dbraw/zinc/24/53/74/563245374.db2.gz FRSXVRJLPVMOCN-UHFFFAOYSA-N 0 0 329.783 4.464 50 0 EIAARN O=C(N[C@H]1CCCc2ccccc21)C1=Cc2cc(Cl)ccc2OC1 ZINC000000152256 563246684 /nfs/dbraw/zinc/24/66/84/563246684.db2.gz GPFMCKVYKVDOBZ-SFHVURJKSA-N 0 0 339.822 4.310 50 0 EIAARN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000000152251 563246706 /nfs/dbraw/zinc/24/67/06/563246706.db2.gz XATJJZWRZHLCRP-OAHLLOKOSA-N 0 0 334.341 4.216 50 0 EIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000000156597 563247820 /nfs/dbraw/zinc/24/78/20/563247820.db2.gz YHTRDRBJKVWUMA-AWEZNQCLSA-N 0 0 336.435 4.362 50 0 EIAARN COc1ccc(N(Cc2ccccn2)C(=O)c2ccc(F)cc2)cc1 ZINC000000157678 563248002 /nfs/dbraw/zinc/24/80/02/563248002.db2.gz VSNMORJBZJRQLY-UHFFFAOYSA-N 0 0 336.366 4.076 50 0 EIAARN O=C(C1=NNC[C@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000000161760 563248969 /nfs/dbraw/zinc/24/89/69/563248969.db2.gz IFQPBZJRIGEGLS-SFHVURJKSA-N 0 0 334.806 4.419 50 0 EIAARN Cc1ccc(S(=O)(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000000165296 563249170 /nfs/dbraw/zinc/24/91/70/563249170.db2.gz HGNMJILZSFHVMX-UHFFFAOYSA-N 0 0 326.870 4.214 50 0 EIAARN Cc1c2cc(Cl)ccc2sc1CC(=S)N1CCOCC1 ZINC000000172257 563251581 /nfs/dbraw/zinc/25/15/81/563251581.db2.gz YCYOBULEXLYXAX-UHFFFAOYSA-N 0 0 325.886 4.065 50 0 EIAARN Cc1c2cc(Cl)ccc2sc1-c1cc2[nH]c(C)cc(=O)n2n1 ZINC000000172400 563252006 /nfs/dbraw/zinc/25/20/06/563252006.db2.gz CZVNNXRWGOVZQY-UHFFFAOYSA-N 0 0 329.812 4.175 50 0 EIAARN O=c1oc(-c2ccccc2Cl)nc2ccc(Br)cc12 ZINC000000182057 563254514 /nfs/dbraw/zinc/25/45/14/563254514.db2.gz ACKNAPMIQMNYPS-UHFFFAOYSA-N 0 0 336.572 4.271 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1 ZINC000000233415 563263774 /nfs/dbraw/zinc/26/37/74/563263774.db2.gz GOKNMRZMVWIXEX-UHFFFAOYSA-N 0 0 336.435 4.119 50 0 EIAARN CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1 ZINC000000239862 563265041 /nfs/dbraw/zinc/26/50/41/563265041.db2.gz GWODYZHEZLPPAM-UHFFFAOYSA-N 0 0 335.436 4.134 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000248511 563266482 /nfs/dbraw/zinc/26/64/82/563266482.db2.gz XPAIHVZJXGIPLH-UHFFFAOYSA-N 0 0 338.816 4.449 50 0 EIAARN Cc1nc2ccccc2n1C[C@@H](O)COc1ccc([C@H]2C=CCC2)cc1 ZINC000000253572 563267199 /nfs/dbraw/zinc/26/71/99/563267199.db2.gz PHVULJJAKOZNEN-PKOBYXMFSA-N 0 0 348.446 4.218 50 0 EIAARN Cc1nc2ccccc2n1C[C@@H](O)COc1ccc([C@@H]2C=CCC2)cc1 ZINC000000253538 563267261 /nfs/dbraw/zinc/26/72/61/563267261.db2.gz PHVULJJAKOZNEN-IEBWSBKVSA-N 0 0 348.446 4.218 50 0 EIAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)NC1CCCCC1 ZINC000000257975 563267892 /nfs/dbraw/zinc/26/78/92/563267892.db2.gz XWLNZEASXFDTSJ-UHFFFAOYSA-N 0 0 343.471 4.203 50 0 EIAARN CCOC(=O)c1cc(CC)sc1NC(=O)CSc1ccccc1 ZINC000000261748 563268089 /nfs/dbraw/zinc/26/80/89/563268089.db2.gz WRNIMUCFXVYWCX-UHFFFAOYSA-N 0 0 349.477 4.218 50 0 EIAARN COc1nc(Nc2ccc(C(C)C)cc2)nc(NC2CCCC2)n1 ZINC000000290766 563273922 /nfs/dbraw/zinc/27/39/22/563273922.db2.gz GHBJVQIQRVIDGJ-UHFFFAOYSA-N 0 0 327.432 4.102 50 0 EIAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000300600 563275670 /nfs/dbraw/zinc/27/56/70/563275670.db2.gz AGAUXSXAYBJHAY-UHFFFAOYSA-N 0 0 343.519 4.212 50 0 EIAARN Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000000303447 563276701 /nfs/dbraw/zinc/27/67/01/563276701.db2.gz FMZRGVFDEOGNEU-QGZVFWFLSA-N 0 0 338.451 4.082 50 0 EIAARN CCOc1cc(C=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000000309228 563279543 /nfs/dbraw/zinc/27/95/43/563279543.db2.gz YSIHJPBCURKXBS-UHFFFAOYSA-N 0 0 339.174 4.424 50 0 EIAARN CCSc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000000312300 563281367 /nfs/dbraw/zinc/28/13/67/563281367.db2.gz MFMYSTBMTNOVIV-WUXMJOGZSA-N 0 0 343.448 4.468 50 0 EIAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc2ccccc21 ZINC000000314164 563282023 /nfs/dbraw/zinc/28/20/23/563282023.db2.gz DHELLUPPIZQGSJ-UHFFFAOYSA-N 0 0 344.414 4.328 50 0 EIAARN COc1cccc2cc(C(=O)Nc3cccc4ccccc43)c(=O)oc21 ZINC000000317787 563283383 /nfs/dbraw/zinc/28/33/83/563283383.db2.gz JIHSQRRAIFLNJG-UHFFFAOYSA-N 0 0 345.354 4.207 50 0 EIAARN O=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1ccccc1 ZINC000000335825 563285309 /nfs/dbraw/zinc/28/53/09/563285309.db2.gz XLSUVTMFXMBWTI-UHFFFAOYSA-N 0 0 327.405 4.112 50 0 EIAARN O=Cc1cn(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000000336409 563285548 /nfs/dbraw/zinc/28/55/48/563285548.db2.gz TXDGJEWIQCKMDV-UHFFFAOYSA-N 0 0 347.201 4.399 50 0 EIAARN O=C(NCc1ccccn1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000337655 563285625 /nfs/dbraw/zinc/28/56/25/563285625.db2.gz NHVGRAJLWVINPR-LJQANCHMSA-N 0 0 334.444 4.231 50 0 EIAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(C)=O)cc1 ZINC000000354416 563290542 /nfs/dbraw/zinc/29/05/42/563290542.db2.gz LJIMSBCRUOKKBY-SFHVURJKSA-N 0 0 328.799 4.046 50 0 EIAARN CC(C)OC(=O)c1c2c(sc1NC(=O)C1CCC1)CCCCC2 ZINC000000355237 563290808 /nfs/dbraw/zinc/29/08/08/563290808.db2.gz MKUDCUWKHLHVJB-UHFFFAOYSA-N 0 0 335.469 4.321 50 0 EIAARN COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000000355403 563290836 /nfs/dbraw/zinc/29/08/36/563290836.db2.gz KZBRCQVQYZVOAM-UHFFFAOYSA-N 0 0 330.771 4.286 50 0 EIAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(OC)ccc1OC ZINC000000359091 563292288 /nfs/dbraw/zinc/29/22/88/563292288.db2.gz RNROPNMMDMAYSB-CQSZACIVSA-N 0 0 343.423 4.235 50 0 EIAARN O=C(Oc1ccc(Cl)cc1Br)c1ccc(F)cc1 ZINC000000359030 563292294 /nfs/dbraw/zinc/29/22/94/563292294.db2.gz WWBIHQQGJGJCTA-UHFFFAOYSA-N 0 0 329.552 4.461 50 0 EIAARN COc1ccc(-c2nnc(-c3ccccc3C)o2)cc1Br ZINC000000359177 563292302 /nfs/dbraw/zinc/29/23/02/563292302.db2.gz ZQWGEKFEBUASTE-UHFFFAOYSA-N 0 0 345.196 4.483 50 0 EIAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(OC)ccc1OC ZINC000000359092 563292305 /nfs/dbraw/zinc/29/23/05/563292305.db2.gz RNROPNMMDMAYSB-AWEZNQCLSA-N 0 0 343.423 4.235 50 0 EIAARN COc1cc(C(=O)Oc2cccc3ccccc32)cc(OC)c1OC ZINC000000362120 563294056 /nfs/dbraw/zinc/29/40/56/563294056.db2.gz RWMDTQJGDRGLRN-UHFFFAOYSA-N 0 0 338.359 4.085 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Oc2ccccc2)cc1 ZINC000000364186 563295395 /nfs/dbraw/zinc/29/53/95/563295395.db2.gz VUDANLURHCVBNW-UHFFFAOYSA-N 0 0 333.343 4.460 50 0 EIAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000364218 563295397 /nfs/dbraw/zinc/29/53/97/563295397.db2.gz CGYJAPKDNYDGIP-AWEZNQCLSA-N 0 0 325.408 4.356 50 0 EIAARN COc1cccc(C(=O)Oc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000000365002 563296016 /nfs/dbraw/zinc/29/60/16/563296016.db2.gz UODCIPOGUYBPOZ-UHFFFAOYSA-N 0 0 347.370 4.167 50 0 EIAARN COc1cc(Br)cc(-c2nc3ccccc3s2)c1O ZINC000000366550 563296677 /nfs/dbraw/zinc/29/66/77/563296677.db2.gz UYUXHIZJHFRKEY-UHFFFAOYSA-N 0 0 336.210 4.440 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1ccccc1OC(F)F ZINC000000386397 563303151 /nfs/dbraw/zinc/30/31/51/563303151.db2.gz GFXYUTBUBXCPLY-UHFFFAOYSA-N 0 0 343.329 4.459 50 0 EIAARN Cc1cc(NCCc2ccccc2)cc(=O)n1CCc1ccccc1 ZINC000000386689 563303200 /nfs/dbraw/zinc/30/32/00/563303200.db2.gz UZTVHMPTCIGAMM-UHFFFAOYSA-N 0 0 332.447 4.054 50 0 EIAARN COc1ccc(CN(C(=O)c2ccc(C)cc2)c2nccs2)cc1 ZINC000000419675 563308681 /nfs/dbraw/zinc/30/86/81/563308681.db2.gz IISDIZXLAATTLL-UHFFFAOYSA-N 0 0 338.432 4.307 50 0 EIAARN Fc1ccc(C2=Nn3c(nnc3-c3cccc(Cl)c3)SC2)cc1 ZINC000000424465 563309891 /nfs/dbraw/zinc/30/98/91/563309891.db2.gz MZBVGWQPLUSYFQ-UHFFFAOYSA-N 0 0 344.802 4.096 50 0 EIAARN CCc1ccc(NC(=O)c2noc3c2CCc2cc(OC)ccc2-3)cc1 ZINC000000426647 563310630 /nfs/dbraw/zinc/31/06/30/563310630.db2.gz PFWJREYYJZLOAU-UHFFFAOYSA-N 0 0 348.402 4.264 50 0 EIAARN CC[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000000442440 563314474 /nfs/dbraw/zinc/31/44/74/563314474.db2.gz GPVLHZKWWXNMLG-IBGZPJMESA-N 0 0 342.870 4.182 50 0 EIAARN COc1ccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000442260 563314511 /nfs/dbraw/zinc/31/45/11/563314511.db2.gz OFJBVFAZWRBKDM-LLVKDONJSA-N 0 0 339.313 4.120 50 0 EIAARN COc1ccc(Cc2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000000442944 563315124 /nfs/dbraw/zinc/31/51/24/563315124.db2.gz RDJLFSQQIKPPIF-UHFFFAOYSA-N 0 0 345.196 4.099 50 0 EIAARN O=C(COc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000000449278 563318413 /nfs/dbraw/zinc/31/84/13/563318413.db2.gz DFJNDMHVDSRILI-UHFFFAOYSA-N 0 0 329.705 4.376 50 0 EIAARN CCc1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)s1 ZINC000000450188 563319123 /nfs/dbraw/zinc/31/91/23/563319123.db2.gz UKRYSXLSWSVBHE-UHFFFAOYSA-N 0 0 333.800 4.266 50 0 EIAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000000450404 563319249 /nfs/dbraw/zinc/31/92/49/563319249.db2.gz XBTZBKVJWHSRKU-UHFFFAOYSA-N 0 0 348.855 4.254 50 0 EIAARN CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)c3ccccc3)ccc12 ZINC000000450608 563319813 /nfs/dbraw/zinc/31/98/13/563319813.db2.gz VKKTUKJLCLXTQU-CQSZACIVSA-N 0 0 336.387 4.314 50 0 EIAARN COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1 ZINC000000451844 563320727 /nfs/dbraw/zinc/32/07/27/563320727.db2.gz BDGLBRQFDFCYOV-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(F)cc1 ZINC000000454811 563323278 /nfs/dbraw/zinc/32/32/78/563323278.db2.gz QFTVEXISHORZBT-UHFFFAOYSA-N 0 0 328.368 4.007 50 0 EIAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)ccc1Br ZINC000000456011 563323944 /nfs/dbraw/zinc/32/39/44/563323944.db2.gz SYVCWJGAIOPKAV-GFCCVEGCSA-N 0 0 334.213 4.164 50 0 EIAARN Cc1cccc(NC(=O)CN2c3cccc4cccc(c34)C2=O)c1C ZINC000000470143 563330733 /nfs/dbraw/zinc/33/07/33/563330733.db2.gz SDDULWFRMZOUOW-UHFFFAOYSA-N 0 0 330.387 4.056 50 0 EIAARN O=C(OCc1ccccc1Cl)c1ccc(Br)cc1 ZINC000000471825 563331902 /nfs/dbraw/zinc/33/19/02/563331902.db2.gz HUDQSBQQDQLKGT-UHFFFAOYSA-N 0 0 325.589 4.460 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Oc1ccccc1 ZINC000000472149 563332152 /nfs/dbraw/zinc/33/21/52/563332152.db2.gz YHPLBNDVZQDUHH-UHFFFAOYSA-N 0 0 333.343 4.460 50 0 EIAARN COC(=O)c1c(-c2ccco2)csc1NC(=O)c1sccc1C ZINC000000473907 563333224 /nfs/dbraw/zinc/33/32/24/563333224.db2.gz FYEZFXUMINYWKR-UHFFFAOYSA-N 0 0 347.417 4.417 50 0 EIAARN CSc1nc2sc3c(c2c(N2CCCCC2)n1)CC(C)(C)OC3 ZINC000000477099 563335013 /nfs/dbraw/zinc/33/50/13/563335013.db2.gz SPDGPNFKSVHOOH-UHFFFAOYSA-N 0 0 349.525 4.255 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c(OC)c1 ZINC000000480617 563336458 /nfs/dbraw/zinc/33/64/58/563336458.db2.gz LEEKCYRUTITOHF-QGZVFWFLSA-N 0 0 333.387 4.331 50 0 EIAARN O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccco1 ZINC000000510263 563339752 /nfs/dbraw/zinc/33/97/52/563339752.db2.gz WVYQMRINNWFNSB-UHFFFAOYSA-N 0 0 331.331 4.249 50 0 EIAARN Fc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 ZINC000000532039 563342769 /nfs/dbraw/zinc/34/27/69/563342769.db2.gz BDJDZKXZVWSDON-UHFFFAOYSA-N 0 0 344.802 4.096 50 0 EIAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)cc1 ZINC000000540733 563343781 /nfs/dbraw/zinc/34/37/81/563343781.db2.gz WKIVZXHIUHLILC-INIZCTEOSA-N 0 0 344.418 4.134 50 0 EIAARN O=C(Nc1ncnc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000000544838 563344212 /nfs/dbraw/zinc/34/42/12/563344212.db2.gz YUULOPWNWVIIJG-UHFFFAOYSA-N 0 0 329.812 4.086 50 0 EIAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1cccnc1 ZINC000000555147 563345536 /nfs/dbraw/zinc/34/55/36/563345536.db2.gz CGUDBVFGZLGGMF-UHFFFAOYSA-N 0 0 327.236 4.260 50 0 EIAARN CC(C)C(=O)NCCc1nc2ccccc2n1CCC1CCCCC1 ZINC000000560830 563347429 /nfs/dbraw/zinc/34/74/29/563347429.db2.gz ZINDADNBOCUNCM-UHFFFAOYSA-N 0 0 341.499 4.321 50 0 EIAARN O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccnc1 ZINC000000609566 563352802 /nfs/dbraw/zinc/35/28/02/563352802.db2.gz UQLAYVNUGNVSBQ-UHFFFAOYSA-N 0 0 346.386 4.476 50 0 EIAARN COc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1 ZINC000000611821 563354645 /nfs/dbraw/zinc/35/46/45/563354645.db2.gz AIYRXDJVRDLERK-UHFFFAOYSA-N 0 0 340.301 4.367 50 0 EIAARN Cc1nn(C)c(C)c1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000000612011 563355050 /nfs/dbraw/zinc/35/50/50/563355050.db2.gz RGUYQNWIYBKUOT-UHFFFAOYSA-N 0 0 329.256 4.153 50 0 EIAARN Clc1ccccc1OCc1nn2c(nnc2-c2ccccc2)s1 ZINC000000613009 563355741 /nfs/dbraw/zinc/35/57/41/563355741.db2.gz JYDAGUJVXNHVRQ-UHFFFAOYSA-N 0 0 342.811 4.085 50 0 EIAARN COc1cccc(CNC(=S)Nc2ccc(Cl)cc2Cl)c1 ZINC000000613008 563355761 /nfs/dbraw/zinc/35/57/61/563355761.db2.gz NYMHIGZJXILJHG-UHFFFAOYSA-N 0 0 341.263 4.489 50 0 EIAARN Cc1cccc(Cn2c3ccccc3nc2[C@H](O)c2ccccc2)c1 ZINC000000613297 563355995 /nfs/dbraw/zinc/35/59/95/563355995.db2.gz JJCXZKVCFIKTCO-OAQYLSRUSA-N 0 0 328.415 4.475 50 0 EIAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000000613791 563356680 /nfs/dbraw/zinc/35/66/80/563356680.db2.gz QHKMNIWPAJZRPM-HNNXBMFYSA-N 0 0 340.467 4.456 50 0 EIAARN COc1cc(-c2nc(-c3ccccc3Cl)no2)cc(OC)c1OC ZINC000000614199 563357059 /nfs/dbraw/zinc/35/70/59/563357059.db2.gz ZTDLETLZDZNJEV-UHFFFAOYSA-N 0 0 346.770 4.083 50 0 EIAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1nccs1 ZINC000000621214 563362049 /nfs/dbraw/zinc/36/20/49/563362049.db2.gz HFHKEJZYVCJVJO-UHFFFAOYSA-N 0 0 337.615 4.121 50 0 EIAARN O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl ZINC000000789814 563363449 /nfs/dbraw/zinc/36/34/49/563363449.db2.gz QORSKEULCHALJF-UHFFFAOYSA-N 0 0 342.129 4.116 50 0 EIAARN CCC(CC)c1nnc(NC(=O)[C@H](CC)Oc2ccccc2)s1 ZINC000000804557 563363724 /nfs/dbraw/zinc/36/37/24/563363724.db2.gz QRWPLGHIDAMJMO-AWEZNQCLSA-N 0 0 333.457 4.238 50 0 EIAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCO4)cc3)sc2c1 ZINC000000804576 563363818 /nfs/dbraw/zinc/36/38/18/563363818.db2.gz WMAJULIUSGDHNE-INIZCTEOSA-N 0 0 338.432 4.389 50 0 EIAARN Cc1ccc(N2C[C@H](C(=O)Oc3cccc4ccccc43)CC2=O)cc1 ZINC000000993451 563367388 /nfs/dbraw/zinc/36/73/88/563367388.db2.gz YHPRCNIJTJYYLY-QGZVFWFLSA-N 0 0 345.398 4.107 50 0 EIAARN Cc1c2cc(Br)ccc2oc1C(=O)NCc1ccccc1 ZINC000001057169 563371492 /nfs/dbraw/zinc/37/14/92/563371492.db2.gz YODUWESQKAPJMB-UHFFFAOYSA-N 0 0 344.208 4.434 50 0 EIAARN COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cn1 ZINC000001061525 563371799 /nfs/dbraw/zinc/37/17/99/563371799.db2.gz YIQKOCMUDWGIOR-UHFFFAOYSA-N 0 0 332.403 4.251 50 0 EIAARN CC(C)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000001079744 563373883 /nfs/dbraw/zinc/37/38/83/563373883.db2.gz MWRWBUHVVJIAIM-UHFFFAOYSA-N 0 0 328.359 4.347 50 0 EIAARN CCOc1ccc(N[C@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001232450 563380612 /nfs/dbraw/zinc/38/06/12/563380612.db2.gz JKVZTIWSZPZDIB-INIZCTEOSA-N 0 0 342.420 4.032 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccco3)s2)cc1 ZINC000001270456 563381963 /nfs/dbraw/zinc/38/19/63/563381963.db2.gz MWPAZGADDRYRJP-UHFFFAOYSA-N 0 0 327.409 4.348 50 0 EIAARN FC(F)(F)c1cccc(-c2noc(-c3ccc(Cl)nc3)n2)c1 ZINC000001383373 563384622 /nfs/dbraw/zinc/38/46/22/563384622.db2.gz XYSXKKVBVMWWAG-UHFFFAOYSA-N 0 0 325.677 4.471 50 0 EIAARN Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000001414085 563388242 /nfs/dbraw/zinc/38/82/42/563388242.db2.gz GJPMHQYGBHVAIX-MRXNPFEDSA-N 0 0 329.856 4.043 50 0 EIAARN Cc1nc2ccccc2nc1CSc1nc2ccccc2nc1C ZINC000001429914 563388872 /nfs/dbraw/zinc/38/88/72/563388872.db2.gz ZLZDQXSYQYKNOS-UHFFFAOYSA-N 0 0 332.432 4.482 50 0 EIAARN COc1cc([C@@H](OC)c2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000001453835 563389917 /nfs/dbraw/zinc/38/99/17/563389917.db2.gz OYKQOZVBDSJLPM-LJQANCHMSA-N 0 0 341.407 4.238 50 0 EIAARN CCCCOC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000001770730 563410270 /nfs/dbraw/zinc/41/02/70/563410270.db2.gz BYGTWAVZCOFYRK-UHFFFAOYSA-N 0 0 325.408 4.215 50 0 EIAARN CCCCN(CCCC)C(=S)NC(=O)c1ccccc1Cl ZINC000001794642 563412450 /nfs/dbraw/zinc/41/24/50/563412450.db2.gz AGLADURCNYKALU-UHFFFAOYSA-N 0 0 326.893 4.257 50 0 EIAARN CCCCOCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000001850410 563414299 /nfs/dbraw/zinc/41/42/99/563414299.db2.gz NCMJQZVNCFTQPG-LLVKDONJSA-N 0 0 335.227 4.121 50 0 EIAARN CC(C)CC(=O)NC(=S)Nc1ccc(Nc2ccccc2)cc1 ZINC000002136407 563423278 /nfs/dbraw/zinc/42/32/78/563423278.db2.gz RGZXKTLSNTYKGV-UHFFFAOYSA-N 0 0 327.453 4.289 50 0 EIAARN CCOc1ccc(NC(=O)c2ccccc2SCCOC)cc1 ZINC000002153590 563424481 /nfs/dbraw/zinc/42/44/81/563424481.db2.gz RRRFVNFASPELLA-UHFFFAOYSA-N 0 0 331.437 4.076 50 0 EIAARN O=C(c1cccc(Cl)c1)c1cccc(I)c1 ZINC000002392540 563431294 /nfs/dbraw/zinc/43/12/94/563431294.db2.gz WQXXLXCQGLENBQ-UHFFFAOYSA-N 0 0 342.563 4.176 50 0 EIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cl)c1 ZINC000002436394 563431941 /nfs/dbraw/zinc/43/19/41/563431941.db2.gz YYBFUBFPTDNHEG-UHFFFAOYSA-N 0 0 333.218 4.447 50 0 biogenic EIAARN CCCNC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 ZINC000002447448 563432404 /nfs/dbraw/zinc/43/24/04/563432404.db2.gz UHWJDIKTNQSBBS-UHFFFAOYSA-N 0 0 331.803 4.124 50 0 EIAARN CCOC(=O)c1ccccc1C(=O)CCc1ccc(SC)cc1 ZINC000002516651 563437288 /nfs/dbraw/zinc/43/72/88/563437288.db2.gz HDLAEHRALAIAOL-UHFFFAOYSA-N 0 0 328.433 4.401 50 0 EIAARN O=C(c1ccc(Br)cc1)c1ccccc1Br ZINC000002567528 563442259 /nfs/dbraw/zinc/44/22/59/563442259.db2.gz UVBUYAPAJGPEMU-UHFFFAOYSA-N 0 0 340.014 4.443 50 0 EIAARN CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3cccc(C)c3nc21 ZINC000002605489 563444393 /nfs/dbraw/zinc/44/43/93/563444393.db2.gz ALCWIJHSRDYQPX-UHFFFAOYSA-N 0 0 344.418 4.474 50 0 EIAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000002642542 563444844 /nfs/dbraw/zinc/44/48/44/563444844.db2.gz NOTCEVCONKTGHS-UHFFFAOYSA-N 0 0 347.798 4.175 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(F)cc1 ZINC000002660917 563445184 /nfs/dbraw/zinc/44/51/84/563445184.db2.gz CKXVPYYAPJTPPC-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN CCCC(=O)N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000002666944 563445551 /nfs/dbraw/zinc/44/55/51/563445551.db2.gz ZRQIHEPLFGIJLE-NSHDSACASA-N 0 0 344.069 4.365 50 0 EIAARN CCCCOc1ccc(Cn2c3cc(C)ccc3oc2=O)cc1OC ZINC000002699784 563446209 /nfs/dbraw/zinc/44/62/09/563446209.db2.gz MQOMWTAKVTYDOZ-UHFFFAOYSA-N 0 0 341.407 4.139 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccc(C)c(C)c1 ZINC000002713243 563446579 /nfs/dbraw/zinc/44/65/79/563446579.db2.gz PLJUZJBTSUSIGX-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000002746993 563448417 /nfs/dbraw/zinc/44/84/17/563448417.db2.gz OXESSDTXVCKTCX-CYBMUJFWSA-N 0 0 333.815 4.453 50 0 EIAARN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(C)c2)c1 ZINC000002814258 563452267 /nfs/dbraw/zinc/45/22/67/563452267.db2.gz LTVMARGGVZJMFA-UHFFFAOYSA-N 0 0 342.464 4.301 50 0 EIAARN CCCOc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000002850128 563455666 /nfs/dbraw/zinc/45/56/66/563455666.db2.gz ILIFAMOHZLQUNK-VBKFSLOCSA-N 0 0 341.794 4.473 50 0 EIAARN Cn1c(Cc2cccs2)nnc1SC/C=C/c1ccccc1 ZINC000002865817 563458054 /nfs/dbraw/zinc/45/80/54/563458054.db2.gz APAHINLXOSYAPN-WEVVVXLNSA-N 0 0 327.478 4.273 50 0 EIAARN Cc1ccc(OCCNC(=O)Cc2cccc3ccccc32)cc1C ZINC000002870101 563458744 /nfs/dbraw/zinc/45/87/44/563458744.db2.gz UOSKXAOSLLEGQO-UHFFFAOYSA-N 0 0 333.431 4.194 50 0 EIAARN COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000002877669 563460095 /nfs/dbraw/zinc/46/00/95/563460095.db2.gz CUSDFCDJBWAYKJ-UHFFFAOYSA-N 0 0 338.190 4.341 50 0 EIAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1 ZINC000002984382 563466461 /nfs/dbraw/zinc/46/64/61/563466461.db2.gz VXLQGXWCBGIKGV-UHFFFAOYSA-N 0 0 346.427 4.131 50 0 EIAARN C/C=C/c1ccc(OCCOCCOc2ccc(F)cc2)c(OC)c1 ZINC000002991284 563468252 /nfs/dbraw/zinc/46/82/52/563468252.db2.gz CXOHHMYMMHCMPG-ONEGZZNKSA-N 0 0 346.398 4.342 50 0 EIAARN Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(Cl)cc1 ZINC000003116621 563472563 /nfs/dbraw/zinc/47/25/63/563472563.db2.gz PVTGOMVXNKUOMJ-UHFFFAOYSA-N 0 0 330.796 4.386 50 0 EIAARN O[C@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@H]1CCc1ccccc1 ZINC000003884157 563490119 /nfs/dbraw/zinc/49/01/19/563490119.db2.gz BBKPDCPIJZWWPW-PKOBYXMFSA-N 0 0 347.380 4.204 50 0 EIAARN O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000003904582 563491092 /nfs/dbraw/zinc/49/10/92/563491092.db2.gz XVOWXCZBOOULSU-FTUNRGFVSA-N 0 0 333.387 4.014 50 0 EIAARN O=C([O-])[C@@H]1CCC[N@H+](CCC=C(c2ccccc2)c2ccccc2)C1 ZINC000003995837 563491686 /nfs/dbraw/zinc/49/16/86/563491686.db2.gz TXQKSMSLZVKQBI-HXUWFJFHSA-N 0 0 335.447 4.305 50 0 in-vitro EIAARN Cc1c(O[C@@H](C)C(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000004028068 563492567 /nfs/dbraw/zinc/49/25/67/563492567.db2.gz GSEOBYJTSSFFMK-AWEZNQCLSA-N 0 0 348.398 4.240 50 0 biogenic EIAARN O=c1nc(C(F)(F)F)cc(C=Cc2cccc(Br)c2)[nH]1 ZINC000004147206 563496063 /nfs/dbraw/zinc/49/60/63/563496063.db2.gz DMNBJHFWSKYYJK-SNAWJCMRSA-N 0 0 345.118 4.134 50 0 EIAARN CCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1cccc(Cl)c1 ZINC000004163367 563496525 /nfs/dbraw/zinc/49/65/25/563496525.db2.gz XYKWBNNGBIKTMD-UHFFFAOYSA-N 0 0 326.783 4.057 50 0 EIAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000004185464 563497239 /nfs/dbraw/zinc/49/72/39/563497239.db2.gz FLBSBKOPWWPZAZ-JTQLQIEISA-N 0 0 327.277 4.251 50 0 EIAARN O=C(NC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1 ZINC000004323254 563500056 /nfs/dbraw/zinc/50/00/56/563500056.db2.gz RCJGNEPCUKKOQL-UHFFFAOYSA-N 0 0 332.831 4.205 50 0 EIAARN S=C(NCc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000004342810 563500837 /nfs/dbraw/zinc/50/08/37/563500837.db2.gz GWTLXELXBINPJF-UHFFFAOYSA-N 0 0 334.916 4.273 50 0 EIAARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2Br)C1=O ZINC000004472196 563503004 /nfs/dbraw/zinc/50/30/04/563503004.db2.gz HCLQPLZZNDNEBQ-YXYQAXARSA-N 0 0 340.242 4.284 50 0 EIAARN Cc1cc2c(ncnc2SCC(=O)Nc2ccccc2Cl)s1 ZINC000004488362 563503456 /nfs/dbraw/zinc/50/34/56/563503456.db2.gz BCAPMHXGKSBKNR-UHFFFAOYSA-N 0 0 349.868 4.384 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)cc1)CC(=O)N2 ZINC000004488939 563503515 /nfs/dbraw/zinc/50/35/15/563503515.db2.gz HBVFYMWGFQQJMX-CQSZACIVSA-N 0 0 329.371 4.097 50 0 EIAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 ZINC000004525567 563504195 /nfs/dbraw/zinc/50/41/95/563504195.db2.gz IHIULIUAYBBVFZ-BJOHPYRUSA-N 0 0 332.856 4.380 50 0 EIAARN Clc1ccc(/C=C/c2nn3c(nnc3-c3ccncc3)s2)cc1 ZINC000004540219 563504709 /nfs/dbraw/zinc/50/47/09/563504709.db2.gz DCIZXDMRUHYURP-ZZXKWVIFSA-N 0 0 339.811 4.072 50 0 EIAARN O=C([O-])CCCCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000004655768 563506476 /nfs/dbraw/zinc/50/64/76/563506476.db2.gz HQSRHKYRGYZSIP-UHFFFAOYSA-N 0 0 333.378 4.289 50 0 EIAARN Cc1ccc(C)c(OCCNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000004698404 563508083 /nfs/dbraw/zinc/50/80/83/563508083.db2.gz RQGNREJXDMINAC-UHFFFAOYSA-N 0 0 341.495 4.405 50 0 EIAARN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccnc1 ZINC000004759041 563510414 /nfs/dbraw/zinc/51/04/14/563510414.db2.gz ZGAQRAWQOIZJBS-UHFFFAOYSA-N 0 0 327.236 4.260 50 0 EIAARN CCc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)cc3)ccc12 ZINC000004811271 563511582 /nfs/dbraw/zinc/51/15/82/563511582.db2.gz DWAADOICVQSTPC-UHFFFAOYSA-N 0 0 328.751 4.228 50 0 EIAARN O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccc(F)c1 ZINC000004814337 563512028 /nfs/dbraw/zinc/51/20/28/563512028.db2.gz CSVZGOFIZDQCPA-UHFFFAOYSA-N 0 0 348.377 4.008 50 0 EIAARN Cc1cc(Cl)cc(Br)c1OCCCn1ccnc1 ZINC000004841384 563512847 /nfs/dbraw/zinc/51/28/47/563512847.db2.gz YIBNIEFMCMBLRQ-UHFFFAOYSA-N 0 0 329.625 4.077 50 0 EIAARN Cc1ccc(-c2nnc(COC(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000004841152 563512871 /nfs/dbraw/zinc/51/28/71/563512871.db2.gz WHTNUGOKCJREGM-UHFFFAOYSA-N 0 0 328.755 4.055 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000004834705 563512873 /nfs/dbraw/zinc/51/28/73/563512873.db2.gz FEXMRZLUEHUDRY-UHFFFAOYSA-N 0 0 348.855 4.419 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(Br)cc1Cl ZINC000004842849 563513108 /nfs/dbraw/zinc/51/31/08/563513108.db2.gz ATQXIEKZQLMXFF-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cccc(F)c1 ZINC000004841605 563513120 /nfs/dbraw/zinc/51/31/20/563513120.db2.gz CFWMYLDYXPIQCW-AWEZNQCLSA-N 0 0 340.398 4.093 50 0 EIAARN CCOc1ccccc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000004841664 563513144 /nfs/dbraw/zinc/51/31/44/563513144.db2.gz LWQSZXXMIUREJB-UHFFFAOYSA-N 0 0 340.423 4.322 50 0 EIAARN Cc1cc(NC(=O)c2cccc(Cl)c2)nn1Cc1cccc(C)c1 ZINC000004855333 563513830 /nfs/dbraw/zinc/51/38/30/563513830.db2.gz PJDQWNLUUYIFSC-UHFFFAOYSA-N 0 0 339.826 4.454 50 0 EIAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1 ZINC000004865905 563514219 /nfs/dbraw/zinc/51/42/19/563514219.db2.gz DELQTDDPZJQZPD-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CCSc2ccc(C)cc2)c1 ZINC000004868081 563514360 /nfs/dbraw/zinc/51/43/60/563514360.db2.gz PKVBREFBDGGQQU-UHFFFAOYSA-N 0 0 328.437 4.074 50 0 EIAARN CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000004894069 563514589 /nfs/dbraw/zinc/51/45/89/563514589.db2.gz XSBLEZXJFNXQRF-GFCCVEGCSA-N 0 0 336.501 4.271 50 0 EIAARN CCCC[C@H](CC)C(=O)NCCCCNC(=O)[C@@H](CC)CCCC ZINC000004905230 563515060 /nfs/dbraw/zinc/51/50/60/563515060.db2.gz QRZVUHFUVORLGW-ROUUACIJSA-N 0 0 340.552 4.432 50 0 EIAARN CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 ZINC000004910472 563515068 /nfs/dbraw/zinc/51/50/68/563515068.db2.gz RUFFONXICZLGLD-OAHLLOKOSA-N 0 0 325.408 4.193 50 0 EIAARN CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 ZINC000004911340 563515074 /nfs/dbraw/zinc/51/50/74/563515074.db2.gz GJAKVVOHEFMXDM-INIZCTEOSA-N 0 0 339.435 4.365 50 0 EIAARN O=C(CC[C@@H]1CCCO1)Nc1cccc(C2SCCCS2)c1 ZINC000046165717 563515597 /nfs/dbraw/zinc/51/55/97/563515597.db2.gz MSGIAQFQZIDQIY-HNNXBMFYSA-N 0 0 337.510 4.453 50 0 EIAARN CCCCc1ccc(NC(=O)CCOc2ccc(OC)cc2)cc1 ZINC000005059695 563520118 /nfs/dbraw/zinc/52/01/18/563520118.db2.gz FBRUDECCMFFTPP-UHFFFAOYSA-N 0 0 327.424 4.445 50 0 EIAARN COc1ccccc1/C=C/c1nn2c(nnc2-c2cccc(C)c2)s1 ZINC000005347156 563527953 /nfs/dbraw/zinc/52/79/53/563527953.db2.gz GQEKOWRIGMDSHC-ZHACJKMWSA-N 0 0 348.431 4.340 50 0 EIAARN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C)CC3 ZINC000005515890 563536162 /nfs/dbraw/zinc/53/61/62/563536162.db2.gz JGEMVOKQRNOKBH-LLVKDONJSA-N 0 0 342.489 4.294 50 0 EIAARN CN1C[C@@H](C(=O)c2ccc(F)cc2)[C@@H](c2c(F)cccc2Cl)C1 ZINC000005719744 563547034 /nfs/dbraw/zinc/54/70/34/563547034.db2.gz OAJSJXJVFWZAFZ-UONOGXRCSA-N 0 0 335.781 4.146 50 0 EIAARN Cc1ccc(-c2cc(-c3ccco3)c3c(n2)oc2c3nc[nH]c2=O)cc1 ZINC000006400965 563567667 /nfs/dbraw/zinc/56/76/67/563567667.db2.gz KUSQIGJETSHUOE-UHFFFAOYSA-N 0 0 343.342 4.300 50 0 EIAARN CN(C(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 ZINC000006420154 563568023 /nfs/dbraw/zinc/56/80/23/563568023.db2.gz ZERZWAKDEIOYIC-UHFFFAOYSA-N 0 0 330.387 4.216 50 0 EIAARN O=C1C[C@@H](c2cccs2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000006445946 563568392 /nfs/dbraw/zinc/56/83/92/563568392.db2.gz AVBZCDIVERRKSE-NSHDSACASA-N 0 0 329.812 4.266 50 0 EIAARN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)C1CCCC1 ZINC000071909315 563573220 /nfs/dbraw/zinc/57/32/20/563573220.db2.gz CLWJCFQAADQURN-DEOSSOPVSA-N 0 0 341.476 4.264 50 0 EIAARN CN(C(=O)Nc1cc(C[S@@](C)=O)ccc1Cl)C1CCCCC1 ZINC000071910310 563574412 /nfs/dbraw/zinc/57/44/12/563574412.db2.gz LGDIYKRZLCSWRM-QFIPXVFZSA-N 0 0 342.892 4.015 50 0 EIAARN CN1N=C(c2ccc(Cl)cc2)C[C@@H](c2ccc(Cl)cc2)C1=O ZINC000006638292 563575922 /nfs/dbraw/zinc/57/59/22/563575922.db2.gz GTVYCMJNPZUHDY-HNNXBMFYSA-N 0 0 333.218 4.343 50 0 EIAARN CCc1ccccc1NC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000006698777 563578993 /nfs/dbraw/zinc/57/89/93/563578993.db2.gz SZQYUMMJCUTPSC-UHFFFAOYSA-N 0 0 337.467 4.220 50 0 EIAARN C[C@@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000006700480 563579458 /nfs/dbraw/zinc/57/94/58/563579458.db2.gz YGCOQMNWZSFBPX-SNVBAGLBSA-N 0 0 334.769 4.029 50 0 EIAARN CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccccn1 ZINC000006731755 563584248 /nfs/dbraw/zinc/58/42/48/563584248.db2.gz CEXAMZXTTKOJJJ-UHFFFAOYSA-N 0 0 348.834 4.445 50 0 EIAARN Fc1ccc(-c2nn(CN3CCc4ccccc4C3)c(=S)o2)cc1 ZINC000006985804 563593093 /nfs/dbraw/zinc/59/30/93/563593093.db2.gz BNPDDVYQCBMMOJ-UHFFFAOYSA-N 0 0 341.411 4.027 50 0 EIAARN C[C@H]1CCc2nc(NC(=O)CCSc3ccccc3)sc2C1 ZINC000002642246 563597873 /nfs/dbraw/zinc/59/78/73/563597873.db2.gz RSLHFNPFIYIRQZ-LBPRGKRZSA-N 0 0 332.494 4.389 50 0 EIAARN CC1(CNc2ccc(NC(=O)N3CCCCCC3)cc2)CCOCC1 ZINC000097375203 563600845 /nfs/dbraw/zinc/60/08/45/563600845.db2.gz YPAUANKESCVIDR-UHFFFAOYSA-N 0 0 345.487 4.323 50 0 EIAARN CC(=O)c1csc(C(=O)Nc2c(C)noc2-c2ccccc2)c1 ZINC000097376115 563606267 /nfs/dbraw/zinc/60/62/67/563606267.db2.gz BFIZETPZVLFGBV-UHFFFAOYSA-N 0 0 326.377 4.166 50 0 EIAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000002762916 563610398 /nfs/dbraw/zinc/61/03/98/563610398.db2.gz HEVRGKHEXJQQLY-UHFFFAOYSA-N 0 0 346.217 4.491 50 0 EIAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(Br)c1 ZINC000002744215 563611200 /nfs/dbraw/zinc/61/12/00/563611200.db2.gz BLPLELQJAAEKGK-UONOGXRCSA-N 0 0 330.225 4.500 50 0 EIAARN C[S@@](=O)Cc1cccc(NCc2sccc2Br)c1 ZINC000097378305 563611655 /nfs/dbraw/zinc/61/16/55/563611655.db2.gz XRLSPOHDLBEZAJ-SFHVURJKSA-N 0 0 344.299 4.001 50 0 EIAARN CCOC(=O)c1cnn2c1nc(-c1ccc(CC)cc1)cc2C(F)F ZINC000002751993 563612003 /nfs/dbraw/zinc/61/20/03/563612003.db2.gz ITCNWVOCMIZRAK-UHFFFAOYSA-N 0 0 345.349 4.073 50 0 EIAARN O=C(Cc1cccc2ccccc21)Nc1ccnn1Cc1cccs1 ZINC000007793715 563615177 /nfs/dbraw/zinc/61/51/77/563615177.db2.gz JDHBJXLJIZWRRP-UHFFFAOYSA-N 0 0 347.443 4.327 50 0 EIAARN CCc1ccc(NC(=O)c2ccn(COc3ccc(C)cc3C)n2)cc1 ZINC000002800406 563615623 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/nfs/dbraw/zinc/76/65/89/563766589.db2.gz XYXVZXMUZGJOTQ-UHFFFAOYSA-N 0 0 349.221 4.144 50 0 EIAARN O=c1cc(C=Cc2cc(O)ccc2Br)[nH]c2ccccc12 ZINC000015016955 563772662 /nfs/dbraw/zinc/77/26/62/563772662.db2.gz HXQGITWDUUPJTD-AATRIKPKSA-N 0 0 342.192 4.167 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 ZINC000015082880 563777079 /nfs/dbraw/zinc/77/70/79/563777079.db2.gz TZDQBEYMJIVWGB-LLVKDONJSA-N 0 0 331.437 4.142 50 0 EIAARN O=C(NC1CC1)[C@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000015469043 563784893 /nfs/dbraw/zinc/78/48/93/563784893.db2.gz ZWPDBRBOWQQOPY-OAQYLSRUSA-N 0 0 349.478 4.109 50 0 EIAARN C[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1nnc(-c2ccccc2)o1 ZINC000015507042 563785582 /nfs/dbraw/zinc/78/55/82/563785582.db2.gz SXQXZRHWNSEDOP-CQSZACIVSA-N 0 0 348.406 4.037 50 0 EIAARN C[C@H](Nc1ccc(N2CCCC2=O)cc1)c1nnc(-c2ccccc2)o1 ZINC000015507044 563785616 /nfs/dbraw/zinc/78/56/16/563785616.db2.gz SXQXZRHWNSEDOP-AWEZNQCLSA-N 0 0 348.406 4.037 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)cc1F ZINC000015517345 563785644 /nfs/dbraw/zinc/78/56/44/563785644.db2.gz OQOBEIMXZRKESV-IBGZPJMESA-N 0 0 338.382 4.037 50 0 EIAARN COc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000015539450 563786443 /nfs/dbraw/zinc/78/64/43/563786443.db2.gz XPWVGFOTYHTTMR-INIZCTEOSA-N 0 0 338.432 4.282 50 0 EIAARN CC[C@H](CNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccccc1 ZINC000015543296 563786564 /nfs/dbraw/zinc/78/65/64/563786564.db2.gz KOTGHDZNXULCPJ-MRXNPFEDSA-N 0 0 341.451 4.406 50 0 EIAARN C[C@@H](CNC(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000015534189 563786568 /nfs/dbraw/zinc/78/65/68/563786568.db2.gz WRFUASCGLVKXLC-INIZCTEOSA-N 0 0 332.403 4.407 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)n1 ZINC000015564080 563786809 /nfs/dbraw/zinc/78/68/09/563786809.db2.gz HEXIEGYNWRQDOI-UHFFFAOYSA-N 0 0 327.334 4.020 50 0 EIAARN Cc1cc(=O)oc2cc(OC(=O)C3C4CC5CC(C4)CC3C5)ccc12 ZINC000015566240 563787201 /nfs/dbraw/zinc/78/72/01/563787201.db2.gz VDLSZAXHEFXFAR-UHFFFAOYSA-N 0 0 338.403 4.079 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(F)cc1F ZINC000015582239 563787569 /nfs/dbraw/zinc/78/75/69/563787569.db2.gz GJINZJGFQWIBTL-UHFFFAOYSA-N 0 0 341.405 4.116 50 0 EIAARN CCOC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000015578138 563787577 /nfs/dbraw/zinc/78/75/77/563787577.db2.gz ZZFWHDPFHADQEA-UHFFFAOYSA-N 0 0 348.786 4.169 50 0 EIAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000032902664 563789561 /nfs/dbraw/zinc/78/95/61/563789561.db2.gz UUSGATOOMZCXEG-FQEVSTJZSA-N 0 0 335.451 4.193 50 0 EIAARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1NC(=O)c1ccco1 ZINC000015796758 563792541 /nfs/dbraw/zinc/79/25/41/563792541.db2.gz FBEYZLISAGQMKT-CZUORRHYSA-N 0 0 340.423 4.149 50 0 EIAARN Cc1c(C(=O)NC[C@@H](C)c2ccccc2)sc2nc(C)nc(C)c12 ZINC000032906138 563792570 /nfs/dbraw/zinc/79/25/70/563792570.db2.gz HKVGMQGFNVPGPB-LLVKDONJSA-N 0 0 339.464 4.150 50 0 EIAARN CCOc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000015799795 563792594 /nfs/dbraw/zinc/79/25/94/563792594.db2.gz RBLQQLMRGZMJLT-VBKFSLOCSA-N 0 0 325.389 4.326 50 0 EIAARN COc1cccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)c1 ZINC000015839823 563795088 /nfs/dbraw/zinc/79/50/88/563795088.db2.gz CHMPQPQGUPCFKP-NRFANRHFSA-N 0 0 346.430 4.226 50 0 EIAARN Cc1cccc(-n2c3c(c(SCc4ccccc4)nc2=O)CCC3)c1 ZINC000015840545 563795552 /nfs/dbraw/zinc/79/55/52/563795552.db2.gz DUYLNDWBMCZOEL-UHFFFAOYSA-N 0 0 348.471 4.322 50 0 EIAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn3nc(-c4ccco4)nc3c12 ZINC000015842254 563796149 /nfs/dbraw/zinc/79/61/49/563796149.db2.gz JAOLROOTXZFYTF-UHFFFAOYSA-N 0 0 343.390 4.253 50 0 EIAARN CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000015860744 563797423 /nfs/dbraw/zinc/79/74/23/563797423.db2.gz WFSPXXLGNZXKKH-QGZVFWFLSA-N 0 0 338.451 4.046 50 0 EIAARN Cc1cc(Cl)ccc1-n1ncc2c1ncnc2N1CCC[C@@H](C)C1 ZINC000015880912 563799610 /nfs/dbraw/zinc/79/96/10/563799610.db2.gz MMEASWCRIVQHKD-GFCCVEGCSA-N 0 0 341.846 4.014 50 0 EIAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC(C)C)o1 ZINC000015975086 563801289 /nfs/dbraw/zinc/80/12/89/563801289.db2.gz OQBCRMMXJXMVLO-WDEREUQCSA-N 0 0 329.466 4.182 50 0 EIAARN C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc21)c1ccccc1Cl ZINC000016046732 563802901 /nfs/dbraw/zinc/80/29/01/563802901.db2.gz YCOZMHIEVHOUNZ-NSHDSACASA-N 0 0 327.767 4.100 50 0 EIAARN Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1 ZINC000016052825 563802903 /nfs/dbraw/zinc/80/29/03/563802903.db2.gz WGZOTBUYUFBEPZ-UHFFFAOYSA-N 0 0 335.407 4.473 50 0 in-vivo EIAARN Cc1ccccc1-c1nn(CN2CCc3ccccc3C2)c(=S)o1 ZINC000016075135 563802911 /nfs/dbraw/zinc/80/29/11/563802911.db2.gz NFSAPVIEALRLFZ-UHFFFAOYSA-N 0 0 337.448 4.197 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000016109960 563803953 /nfs/dbraw/zinc/80/39/53/563803953.db2.gz JKCAGFYTASBFNB-GDBMZVCRSA-N 0 0 347.867 4.241 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000016228397 563806357 /nfs/dbraw/zinc/80/63/57/563806357.db2.gz DYTXFWIRKLEHFE-UHFFFAOYSA-N 0 0 328.387 4.077 50 0 EIAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000004588819 563809770 /nfs/dbraw/zinc/80/97/70/563809770.db2.gz ZWEYIKLBKSEVFP-AUWJEWJLSA-N 0 0 336.149 4.477 50 0 EIAARN CCCCc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 ZINC000004589462 563810542 /nfs/dbraw/zinc/81/05/42/563810542.db2.gz BKFHHMQDHZQOQT-BOPFTXTBSA-N 0 0 349.386 4.102 50 0 EIAARN CCc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1 ZINC000032915079 563812858 /nfs/dbraw/zinc/81/28/58/563812858.db2.gz KLNMLZDCBWBKFV-UHFFFAOYSA-N 0 0 349.430 4.489 50 0 EIAARN C[C@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000016694735 563820975 /nfs/dbraw/zinc/82/09/75/563820975.db2.gz UOUNBQFJJVKJJQ-GJZGRUSLSA-N 0 0 347.462 4.214 50 0 EIAARN Cc1cccc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1C ZINC000016702013 563821461 /nfs/dbraw/zinc/82/14/61/563821461.db2.gz IVXUZJSOKOICLU-UHFFFAOYSA-N 0 0 329.268 4.180 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1Cl ZINC000016751156 563822590 /nfs/dbraw/zinc/82/25/90/563822590.db2.gz CYHMJAJZPQNTDZ-UHFFFAOYSA-N 0 0 327.714 4.202 50 0 EIAARN COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(C)(C)C ZINC000016780144 563823676 /nfs/dbraw/zinc/82/36/76/563823676.db2.gz SFZYGKZHXKHIND-CQSZACIVSA-N 0 0 347.480 4.032 50 0 EIAARN CCOc1cc(C)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C ZINC000016780539 563823679 /nfs/dbraw/zinc/82/36/79/563823679.db2.gz YSSQGEJMRCXIOI-UHFFFAOYSA-N 0 0 341.517 4.195 50 0 EIAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)OCC(C)C ZINC000032923909 563825289 /nfs/dbraw/zinc/82/52/89/563825289.db2.gz KFKHOIHLFRYTER-GFCCVEGCSA-N 0 0 347.377 4.494 50 0 EIAARN Cc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC000016971691 563827585 /nfs/dbraw/zinc/82/75/85/563827585.db2.gz YFNQXAOYEZSZEU-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN CCc1ccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)cc1 ZINC000016975681 563828013 /nfs/dbraw/zinc/82/80/13/563828013.db2.gz XJDKJZANSXIJMW-UHFFFAOYSA-N 0 0 331.379 4.173 50 0 EIAARN Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000017067293 563831347 /nfs/dbraw/zinc/83/13/47/563831347.db2.gz JKHRRKXCSOGVAB-ZDUSSCGKSA-N 0 0 328.437 4.080 50 0 EIAARN Fc1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000017155142 563838840 /nfs/dbraw/zinc/83/88/40/563838840.db2.gz DPYGCEGAEGWSDY-UHFFFAOYSA-N 0 0 339.761 4.352 50 0 EIAARN CCc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1 ZINC000032930593 563841399 /nfs/dbraw/zinc/84/13/99/563841399.db2.gz ZHVHLBFOSXNGFW-UHFFFAOYSA-N 0 0 346.430 4.153 50 0 EIAARN CC(=O)Nc1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1 ZINC000010622637 563846983 /nfs/dbraw/zinc/84/69/83/563846983.db2.gz SLQGDGKIEMEYJA-UHFFFAOYSA-N 0 0 337.297 4.021 50 0 EIAARN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O ZINC000000980970 563852330 /nfs/dbraw/zinc/85/23/30/563852330.db2.gz JKUYRBUUTWOODH-OPCAMPFDSA-N 0 0 332.469 4.368 50 0 EIAARN Cc1ccc(OCCN(C)C(=O)Nc2cccc3cnccc32)cc1 ZINC000043162083 563856518 /nfs/dbraw/zinc/85/65/18/563856518.db2.gz HTHPEBYOIYLAPX-UHFFFAOYSA-N 0 0 335.407 4.086 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000019923734 563857022 /nfs/dbraw/zinc/85/70/22/563857022.db2.gz RYQNDZFWSJLFEV-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN S=C1NCN(C2CCCCC2)CN1c1cccc2ccccc21 ZINC000020190659 563858729 /nfs/dbraw/zinc/85/87/29/563858729.db2.gz FDGISCLREQOXQG-UHFFFAOYSA-N 0 0 325.481 4.084 50 0 EIAARN C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc2ncccc21 ZINC000022240986 563862605 /nfs/dbraw/zinc/86/26/05/563862605.db2.gz PFHFEWSHYKDEHI-OAHLLOKOSA-N 0 0 331.419 4.015 50 0 EIAARN C[C@@H](NC(=O)CSc1ncc(-c2ccc(F)cc2)o1)c1ccco1 ZINC000010845020 563863161 /nfs/dbraw/zinc/86/31/61/563863161.db2.gz IHEOCUCLPWRSEP-LLVKDONJSA-N 0 0 346.383 4.043 50 0 EIAARN CC(C)(c1cc(Cl)cc(Cl)c1)N1C(=O)C2=C(CCCC2)[C@@H]1O ZINC000012381824 563863559 /nfs/dbraw/zinc/86/35/59/563863559.db2.gz NCZAYYXHAQQZGF-HNNXBMFYSA-N 0 0 340.250 4.260 50 0 EIAARN CCCn1c(C)cc(-c2csc(NC(=O)c3ccco3)n2)c1C ZINC000010892281 563866180 /nfs/dbraw/zinc/86/61/80/563866180.db2.gz YRZIIQCYSUQNAB-UHFFFAOYSA-N 0 0 329.425 4.484 50 0 EIAARN C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000010941143 563870443 /nfs/dbraw/zinc/87/04/43/563870443.db2.gz LIMPCWVDVQZJIH-JTQLQIEISA-N 0 0 334.828 4.116 50 0 EIAARN Cc1cc(C(=O)Nc2cccc3cccnc32)c2cnn(C(C)C)c2n1 ZINC000010965833 563876990 /nfs/dbraw/zinc/87/69/90/563876990.db2.gz MMKNYPWNRJNLIZ-UHFFFAOYSA-N 0 0 345.406 4.121 50 0 EIAARN Cc1ccccc1CCNC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000043478226 563881537 /nfs/dbraw/zinc/88/15/37/563881537.db2.gz SSSCOKJIBYZMHB-FQEVSTJZSA-N 0 0 337.467 4.259 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CCC(C)C)n2)c(F)c1 ZINC000010993615 563886699 /nfs/dbraw/zinc/88/66/99/563886699.db2.gz MXASYVFABFMXEA-UHFFFAOYSA-N 0 0 349.431 4.282 50 0 EIAARN CCCCc1noc([C@@H](C)Nc2cccc(N3CCCCC3=O)c2)n1 ZINC000027048937 563894525 /nfs/dbraw/zinc/89/45/25/563894525.db2.gz PKYXEFRENRTKAH-CQSZACIVSA-N 0 0 342.443 4.102 50 0 EIAARN O=C(NC1CC1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000072285274 563907094 /nfs/dbraw/zinc/90/70/94/563907094.db2.gz WBKUQSXXGRHZIY-UHFFFAOYSA-N 0 0 326.362 4.322 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(C)c(F)c2)c2c1[C@H](C)CC2=O ZINC000011052680 563907890 /nfs/dbraw/zinc/90/78/90/563907890.db2.gz ZVLCHHWEKZWNRC-CYBMUJFWSA-N 0 0 341.382 4.150 50 0 EIAARN C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2n1C ZINC000072288902 563908540 /nfs/dbraw/zinc/90/85/40/563908540.db2.gz ZFVXJVNBPSJDSS-HNNXBMFYSA-N 0 0 343.430 4.146 50 0 EIAARN CC(=O)c1ccc(NC(=O)N2Cc3cc(F)ccc3C[C@@H]2C)cc1 ZINC000072291901 563909329 /nfs/dbraw/zinc/90/93/29/563909329.db2.gz VHJZOMMWIAVTLJ-LBPRGKRZSA-N 0 0 326.371 4.007 50 0 EIAARN O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072292895 563910325 /nfs/dbraw/zinc/91/03/25/563910325.db2.gz PKACCFLIOCAQCS-KSSFIOAISA-N 0 0 339.414 4.236 50 0 EIAARN O=C(c1ccc(F)c(F)c1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011074743 563912095 /nfs/dbraw/zinc/91/20/95/563912095.db2.gz OZIAQXMXECOUAL-UHFFFAOYSA-N 0 0 338.357 4.376 50 0 EIAARN C[S@](=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000072298056 563912674 /nfs/dbraw/zinc/91/26/74/563912674.db2.gz NELYQYKGXUBJPG-VNQWHQNRSA-N 0 0 341.476 4.373 50 0 EIAARN O=C(CCC(=O)c1cccs1)Nc1cccc(-c2cnco2)c1 ZINC000048282005 563912918 /nfs/dbraw/zinc/91/29/18/563912918.db2.gz VVGLQCILEHVLST-UHFFFAOYSA-N 0 0 326.377 4.005 50 0 EIAARN O=C(NCc1ccccc1-n1ccnc1)c1c(Cl)cccc1Cl ZINC000176786276 563913698 /nfs/dbraw/zinc/91/36/98/563913698.db2.gz VVPDCLHGWNRNPP-UHFFFAOYSA-N 0 0 346.217 4.109 50 0 EIAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccc(C(C)=O)cc1 ZINC000000145491 563916953 /nfs/dbraw/zinc/91/69/53/563916953.db2.gz ZENPAQJYNBTCJS-UHFFFAOYSA-N 0 0 334.375 4.358 50 0 EIAARN Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)C=CS1 ZINC000000314416 563917311 /nfs/dbraw/zinc/91/73/11/563917311.db2.gz NZBLEWUCLAJCPX-ZDUSSCGKSA-N 0 0 326.446 4.284 50 0 EIAARN CC(=O)Oc1ccc2c(c1)oc(C)c(-c1c(F)cccc1Cl)c2=O ZINC000000307907 563917325 /nfs/dbraw/zinc/91/73/25/563917325.db2.gz JKGPNUAQSSELNB-UHFFFAOYSA-N 0 0 346.741 4.486 50 0 EIAARN CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Br)o1 ZINC000000462233 563917530 /nfs/dbraw/zinc/91/75/30/563917530.db2.gz UZQDGKQGCUZNHO-UHFFFAOYSA-N 0 0 336.229 4.483 50 0 EIAARN Cc1ccc(NC(=O)OC(C)(C)C)c(OCc2nc(C(C)C)no2)c1 ZINC000072311146 563918258 /nfs/dbraw/zinc/91/82/58/563918258.db2.gz LCEJSXTULLIOAS-UHFFFAOYSA-N 0 0 347.415 4.427 50 0 EIAARN CC[C@H](C)Nc1ncnc2sc([C@@H]3COc4ccccc4O3)cc21 ZINC000006489580 563919227 /nfs/dbraw/zinc/91/92/27/563919227.db2.gz GBMPWKUUQPHOGO-NHYWBVRUSA-N 0 0 341.436 4.414 50 0 EIAARN Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@@H]2C2CC2)c(C(F)F)n1 ZINC000038248380 563921770 /nfs/dbraw/zinc/92/17/70/563921770.db2.gz XQJQCBDIXRIYRP-CHWSQXEVSA-N 0 0 331.366 4.124 50 0 in-vivo EIAARN CCOC(=O)C(C)(C)[C@](O)(CC)c1ccc2cc(OC)ccc2c1 ZINC000038642992 563921854 /nfs/dbraw/zinc/92/18/54/563921854.db2.gz BGPCDCAZLBBOTJ-FQEVSTJZSA-N 0 0 330.424 4.035 50 0 EIAARN CCOc1ccccc1C(=O)Nc1cnc(-c2ccc(C)cc2)nc1 ZINC000097938506 563922931 /nfs/dbraw/zinc/92/29/31/563922931.db2.gz IMNIRBPDXAYXKI-UHFFFAOYSA-N 0 0 333.391 4.103 50 0 EIAARN O=C(Cc1ccc(F)cc1)Nc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000097938562 563922967 /nfs/dbraw/zinc/92/29/67/563922967.db2.gz ONWLPOCKANEXLR-UHFFFAOYSA-N 0 0 341.773 4.117 50 0 EIAARN Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000041107626 563924329 /nfs/dbraw/zinc/92/43/29/563924329.db2.gz MBLFTBGJJRUESE-UHFFFAOYSA-N 0 0 343.386 4.379 50 0 EIAARN C[C@H]1CCc2c(sc3[nH]c(SCc4cccs4)nc(=O)c23)C1 ZINC000071434618 563924775 /nfs/dbraw/zinc/92/47/75/563924775.db2.gz QZIFDIOQYUJTQN-VIFPVBQESA-N 0 0 348.518 4.463 50 0 EIAARN O=C(c1cc(-c2ccccc2)no1)N1CCCc2c(F)ccc(F)c21 ZINC000119353468 563925767 /nfs/dbraw/zinc/92/57/67/563925767.db2.gz OXJWUFDHTVAIJU-UHFFFAOYSA-N 0 0 340.329 4.213 50 0 EIAARN O=Cc1ccc(OCc2cccc(Br)c2)c(Cl)c1 ZINC000043488933 563925790 /nfs/dbraw/zinc/92/57/90/563925790.db2.gz FRKAPOHOYODRKK-UHFFFAOYSA-N 0 0 325.589 4.494 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)cc1 ZINC000044449150 563926401 /nfs/dbraw/zinc/92/64/01/563926401.db2.gz NUVGNKSUOKDXAM-UHFFFAOYSA-N 0 0 328.437 4.212 50 0 EIAARN CC(=O)N1CCc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000013696069 563931892 /nfs/dbraw/zinc/93/18/92/563931892.db2.gz LIXWWHUWPQWQJG-UHFFFAOYSA-N 0 0 336.435 4.145 50 0 EIAARN COCC[C@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000060345403 563932267 /nfs/dbraw/zinc/93/22/67/563932267.db2.gz FHJCMSGZRCWMHD-ZDUSSCGKSA-N 0 0 343.389 4.058 50 0 EIAARN Cc1nc(-c2ccccc2)n(CCCOc2ccc(Cl)cc2)n1 ZINC000060349597 563932338 /nfs/dbraw/zinc/93/23/38/563932338.db2.gz NUPHYLQIESRTOS-UHFFFAOYSA-N 0 0 327.815 4.376 50 0 EIAARN CC(C)C(=O)Nc1cccc(NC(=O)c2cn(C)c3ccccc23)c1 ZINC000046360121 563933227 /nfs/dbraw/zinc/93/32/27/563933227.db2.gz ZZFFQODKKYSCHG-UHFFFAOYSA-N 0 0 335.407 4.025 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=S)Nc2cc(C)cc(C)c2)c1 ZINC000013793287 563933855 /nfs/dbraw/zinc/93/38/55/563933855.db2.gz XSJKODJWMCMFSB-UHFFFAOYSA-N 0 0 328.437 4.207 50 0 EIAARN Cc1cccc(-c2ncc(CN[C@@H](C)c3cn4ccsc4n3)cn2)c1 ZINC000055211574 563934030 /nfs/dbraw/zinc/93/40/30/563934030.db2.gz OPGLTOHHOUIKHE-AWEZNQCLSA-N 0 0 349.463 4.012 50 0 EIAARN CCCN(C/C=C/c1ccccc1)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000055254332 563934188 /nfs/dbraw/zinc/93/41/88/563934188.db2.gz FEEOHVPOAPCOHD-DHZHZOJOSA-N 0 0 346.430 4.094 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)cc1C ZINC000055244619 563934199 /nfs/dbraw/zinc/93/41/99/563934199.db2.gz RJFZFQZBOSWRHZ-UHFFFAOYSA-N 0 0 338.451 4.392 50 0 EIAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)c1ccccc1OC(F)F ZINC000055244146 563934211 /nfs/dbraw/zinc/93/42/11/563934211.db2.gz MUYGIMHQUCWLEL-CYBMUJFWSA-N 0 0 334.366 4.124 50 0 EIAARN Cc1ccc(-c2nc(CN3CCCC[C@H]3c3nccn3C)c(C)o2)o1 ZINC000055270945 563934331 /nfs/dbraw/zinc/93/43/31/563934331.db2.gz GJIPFWVVTYOTTI-INIZCTEOSA-N 0 0 340.427 4.012 50 0 EIAARN CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)c1cc(C)c(C)s1 ZINC000055325291 563934412 /nfs/dbraw/zinc/93/44/12/563934412.db2.gz PIBVKVGAZFWXDM-UHFFFAOYSA-N 0 0 341.480 4.254 50 0 EIAARN CCCN(C/C=C/c1ccccc1)C(=O)c1c(C)nc2sccn21 ZINC000055393385 563934755 /nfs/dbraw/zinc/93/47/55/563934755.db2.gz YACXRWQTJKLRLO-JXMROGBWSA-N 0 0 339.464 4.270 50 0 EIAARN Cc1ccsc1CN(CC(C)C)C(=O)c1ccc2nccn2c1 ZINC000055568977 563934864 /nfs/dbraw/zinc/93/48/64/563934864.db2.gz KBNKOHXNSLEBTQ-UHFFFAOYSA-N 0 0 327.453 4.003 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccccn1 ZINC000055514305 563934925 /nfs/dbraw/zinc/93/49/25/563934925.db2.gz BRGOJZIJLSCQOG-FQEVSTJZSA-N 0 0 333.435 4.249 50 0 EIAARN O=C(C[C@H]1C=CCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000060369741 563935910 /nfs/dbraw/zinc/93/59/10/563935910.db2.gz QHFRKFBANUQGIP-DOTOQJQBSA-N 0 0 337.423 4.147 50 0 EIAARN CCN(C[C@@H]1CCOC1)C(=O)c1ccc(-c2ccccc2F)s1 ZINC000058086741 563937321 /nfs/dbraw/zinc/93/73/21/563937321.db2.gz IPWNRONASUYGMK-ZDUSSCGKSA-N 0 0 333.428 4.053 50 0 EIAARN CC(C)(C)c1ccc(C[S@](=O)CCC(=O)Nc2ccccc2)cc1 ZINC000058099230 563937449 /nfs/dbraw/zinc/93/74/49/563937449.db2.gz LZZYCYFNIVSOQU-DEOSSOPVSA-N 0 0 343.492 4.262 50 0 EIAARN O=C(Nc1cccnc1)C1(c2cccc(Br)c2)CCCC1 ZINC000058146801 563937930 /nfs/dbraw/zinc/93/79/30/563937930.db2.gz IJVBVPGBVIKPTN-UHFFFAOYSA-N 0 0 345.240 4.295 50 0 EIAARN CCCC(=O)Nc1cccc(N[C@@H](C)c2nc(CCC)no2)c1C ZINC000058158213 563938141 /nfs/dbraw/zinc/93/81/41/563938141.db2.gz GIWHMXFUJUFQMJ-ZDUSSCGKSA-N 0 0 330.432 4.242 50 0 EIAARN Cc1nc(S[C@H](C)c2ccc(F)c(Cl)c2)sc1CC(N)=O ZINC000058160028 563938308 /nfs/dbraw/zinc/93/83/08/563938308.db2.gz OQKKZROZLWKQIS-MRVPVSSYSA-N 0 0 344.864 4.125 50 0 EIAARN CCOc1ccc([C@@H]2CC(c3ccc(CC)cc3)=NN2C(C)=O)cc1 ZINC000058196756 563939596 /nfs/dbraw/zinc/93/95/96/563939596.db2.gz OCRPIGWVNWANMA-NRFANRHFSA-N 0 0 336.435 4.345 50 0 EIAARN Cc1noc(C)c1CNc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000058201212 563939669 /nfs/dbraw/zinc/93/96/69/563939669.db2.gz GTHYUHTUEHFODT-UHFFFAOYSA-N 0 0 347.418 4.106 50 0 EIAARN CC(C)N(C(=O)Cc1csc(-c2cccnc2)n1)C1CCCCC1 ZINC000058246557 563940820 /nfs/dbraw/zinc/94/08/20/563940820.db2.gz DLWSINMHCQGKEP-UHFFFAOYSA-N 0 0 343.496 4.317 50 0 EIAARN O=C(NCc1ccoc1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000058247569 563940838 /nfs/dbraw/zinc/94/08/38/563940838.db2.gz NSJBHHVIDQXVHW-UHFFFAOYSA-N 0 0 337.341 4.427 50 0 EIAARN Cc1ncc(CN(C)C(=O)Nc2ccc3oc(C4CC4)nc3c2)s1 ZINC000058265380 563941058 /nfs/dbraw/zinc/94/10/58/563941058.db2.gz NBQVNCMQHQLELK-UHFFFAOYSA-N 0 0 342.424 4.134 50 0 EIAARN CCc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)s1 ZINC000058356085 563943321 /nfs/dbraw/zinc/94/33/21/563943321.db2.gz URPVFKOMZRMCBZ-UHFFFAOYSA-N 0 0 347.461 4.299 50 0 EIAARN Cc1ccccc1N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl ZINC000000364702 563991711 /nfs/dbraw/zinc/99/17/11/563991711.db2.gz NPXBZBKADVFZIU-NSHDSACASA-N 0 0 337.678 4.266 50 0 EIAARN Clc1ccc2nnn(OCc3csc(C4CCCCC4)n3)c2c1 ZINC000058370946 563944170 /nfs/dbraw/zinc/94/41/70/563944170.db2.gz SQUUKIBLKZJDPT-UHFFFAOYSA-N 0 0 348.859 4.218 50 0 EIAARN Cc1ccc2nc(C)c(C(=O)NCCO[C@H]3CCCC[C@H]3C)cc2c1 ZINC000058390689 563944472 /nfs/dbraw/zinc/94/44/72/563944472.db2.gz UYUVUXHOCUNYKZ-QRWLVFNGSA-N 0 0 340.467 4.177 50 0 EIAARN CCOc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 ZINC000058402333 563944980 /nfs/dbraw/zinc/94/49/80/563944980.db2.gz WMKDMABFXMNJRW-UHFFFAOYSA-N 0 0 339.420 4.186 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)c2cccnc2SC(F)(F)F)o1 ZINC000058413308 563945323 /nfs/dbraw/zinc/94/53/23/563945323.db2.gz LWFRCJZZECRZGY-SECBINFHSA-N 0 0 330.331 4.086 50 0 EIAARN Cn1c2ccccc2nc1[C@@H](NC(=O)CC1CCCC1)c1ccccc1 ZINC000058414636 563945433 /nfs/dbraw/zinc/94/54/33/563945433.db2.gz DUCXMZLSWXLDTE-NRFANRHFSA-N 0 0 347.462 4.359 50 0 EIAARN Cc1nc(C(C)(C)C)sc1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000058427248 563946115 /nfs/dbraw/zinc/94/61/15/563946115.db2.gz HVFJOCVMHRBEEJ-UHFFFAOYSA-N 0 0 332.473 4.089 50 0 EIAARN COc1cc(CN(C)C(=O)Nc2ccccc2C)ccc1SC ZINC000058601093 563946936 /nfs/dbraw/zinc/94/69/36/563946936.db2.gz JRCFJWAIADJYMI-UHFFFAOYSA-N 0 0 330.453 4.389 50 0 EIAARN COc1c(Cl)cccc1NC(=O)N1CCC(n2cccc2)CC1 ZINC000058642679 563947093 /nfs/dbraw/zinc/94/70/93/563947093.db2.gz XHBNAVDHWFSPEQ-UHFFFAOYSA-N 0 0 333.819 4.019 50 0 EIAARN CC(C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000058774924 563947163 /nfs/dbraw/zinc/94/71/63/563947163.db2.gz OJSZGDTZDCPRTB-LJQANCHMSA-N 0 0 325.427 4.413 50 0 EIAARN Cc1cc(N2CCC(Cc3ccccc3)CC2)nc(-c2ccncc2)n1 ZINC000060112748 563949652 /nfs/dbraw/zinc/94/96/52/563949652.db2.gz JQUWRRVKMGJWOB-UHFFFAOYSA-N 0 0 344.462 4.306 50 0 EIAARN CC(C)C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@H]3C ZINC000575473063 563950487 /nfs/dbraw/zinc/95/04/87/563950487.db2.gz BXXYUKPTPRBHNO-GFCCVEGCSA-N 0 0 327.424 4.354 50 0 EIAARN Cc1ccccc1CN(C)CC(=O)N[C@H](c1cccs1)C(C)C ZINC000011204234 563951261 /nfs/dbraw/zinc/95/12/61/563951261.db2.gz YAYQCYFAJQWZCH-IBGZPJMESA-N 0 0 330.497 4.002 50 0 EIAARN O=C(/C=C\C1CC1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000096431082 563952632 /nfs/dbraw/zinc/95/26/32/563952632.db2.gz XJSYKYSROLOWNM-IPYQYMIDSA-N 0 0 339.460 4.040 50 0 EIAARN Cc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cn1 ZINC000096446963 563953388 /nfs/dbraw/zinc/95/33/88/563953388.db2.gz RNOIATKDTRZLKP-MRXNPFEDSA-N 0 0 346.434 4.012 50 0 EIAARN COc1ccc(C)cc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000064984935 563957781 /nfs/dbraw/zinc/95/77/81/563957781.db2.gz WAAWTGNYKOKJBW-INIZCTEOSA-N 0 0 343.427 4.484 50 0 EIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064985091 563957862 /nfs/dbraw/zinc/95/78/62/563957862.db2.gz ILOUSGZBNNAHHK-HNNXBMFYSA-N 0 0 329.400 4.176 50 0 EIAARN CCOC(=O)c1ccc(-c2cc(O)cc(Br)c2)cc1F ZINC000065343950 563958062 /nfs/dbraw/zinc/95/80/62/563958062.db2.gz NHIBDYPEPVVATO-UHFFFAOYSA-N 0 0 339.160 4.138 50 0 EIAARN Cc1ccccc1-c1ncc(CN(Cc2nccn2C)C2CC2)s1 ZINC000065366109 563958235 /nfs/dbraw/zinc/95/82/35/563958235.db2.gz ITXFHHTWHWBXCY-UHFFFAOYSA-N 0 0 338.480 4.017 50 0 EIAARN Cc1nonc1[C@H]1CCCN1Cc1cnc(-c2ccccc2C)s1 ZINC000065382850 563959067 /nfs/dbraw/zinc/95/90/67/563959067.db2.gz VTSOXYNRSMFSOY-MRXNPFEDSA-N 0 0 340.452 4.147 50 0 EIAARN Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2C2CC=CC2)n1 ZINC000065387289 563959343 /nfs/dbraw/zinc/95/93/43/563959343.db2.gz BPQZLAYWEXSGTQ-UHFFFAOYSA-N 0 0 332.451 4.497 50 0 EIAARN c1nc(-c2ccccc2)c(CCc2ccccc2)n1Cc1ccncn1 ZINC000065451595 563960918 /nfs/dbraw/zinc/96/09/18/563960918.db2.gz NVECQBYGVPBNLY-UHFFFAOYSA-N 0 0 340.430 4.174 50 0 EIAARN c1nc(-c2ccccc2)c([C@@H]2CCOC2)n1CCNc1ccccc1 ZINC000065452001 563961088 /nfs/dbraw/zinc/96/10/88/563961088.db2.gz BKZIJOYBHMZCCQ-GOSISDBHSA-N 0 0 333.435 4.166 50 0 EIAARN CS[C@@H](C)Cc1c(-c2ccccc2)ncn1CCc1ccccn1 ZINC000065469511 563961349 /nfs/dbraw/zinc/96/13/49/563961349.db2.gz VUYVZTNNJKOBFD-INIZCTEOSA-N 0 0 337.492 4.482 50 0 EIAARN C/C=C(\C)c1c(-c2ccccc2)ncn1[C@H](c1ncnn1C)C1CC1 ZINC000065470259 563961424 /nfs/dbraw/zinc/96/14/24/563961424.db2.gz XQSJRZHNFSHZQJ-DKQDWMEJSA-N 0 0 333.439 4.101 50 0 EIAARN C[C@@H](c1ccon1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000065498019 563961603 /nfs/dbraw/zinc/96/16/03/563961603.db2.gz FLXQKZOMZCYBEO-NSHDSACASA-N 0 0 330.771 4.421 50 0 EIAARN CCc1ccc(-c2c(-c3ccccc3)ncn2C[C@H](C)n2cncn2)o1 ZINC000065527922 563961901 /nfs/dbraw/zinc/96/19/01/563961901.db2.gz MQSOAXATFYCFFI-HNNXBMFYSA-N 0 0 347.422 4.225 50 0 EIAARN CCC(=O)Nc1ccc(C)cc1-c1cc(OC)c(OC)c(OC)c1 ZINC000067558976 563962325 /nfs/dbraw/zinc/96/23/25/563962325.db2.gz HQRMVBXPNSLEDF-UHFFFAOYSA-N 0 0 329.396 4.036 50 0 EIAARN Cc1csc2c1ncnc2-c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000067690928 563962510 /nfs/dbraw/zinc/96/25/10/563962510.db2.gz HWSUPOUHHGJBGD-CQSZACIVSA-N 0 0 339.464 4.060 50 0 EIAARN c1cn(-c2ccc3c(c2)OCO3)c(-c2ccc([C@H]3CCCCO3)o2)n1 ZINC000067695769 563962543 /nfs/dbraw/zinc/96/25/43/563962543.db2.gz CNULQTKLPUJYPG-CQSZACIVSA-N 0 0 338.363 4.103 50 0 EIAARN c1cn(-c2ccc3c(c2)OCO3)c(-c2ccc([C@@H]3CCCCO3)o2)n1 ZINC000067695768 563962553 /nfs/dbraw/zinc/96/25/53/563962553.db2.gz CNULQTKLPUJYPG-AWEZNQCLSA-N 0 0 338.363 4.103 50 0 EIAARN Cc1cnc(C)nc1NCc1cccnc1Oc1ccc(F)cc1F ZINC000067773923 563962717 /nfs/dbraw/zinc/96/27/17/563962717.db2.gz RASWUSTWCPSTER-UHFFFAOYSA-N 0 0 342.349 4.171 50 0 EIAARN O=C(Nc1cnc2n1CCCC2)c1ccccc1Oc1ccccc1 ZINC000067820935 563962830 /nfs/dbraw/zinc/96/28/30/563962830.db2.gz ICXQQRLORQEKSX-UHFFFAOYSA-N 0 0 333.391 4.264 50 0 EIAARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC000067820367 563962836 /nfs/dbraw/zinc/96/28/36/563962836.db2.gz RMHQDFOZKJPMOD-IBGZPJMESA-N 0 0 345.446 4.405 50 0 EIAARN CC(C)c1ccc(NCc2cccnc2N2CCCCCCC2)nn1 ZINC000067821690 563962847 /nfs/dbraw/zinc/96/28/47/563962847.db2.gz TVUDLHZTQFTOTO-UHFFFAOYSA-N 0 0 339.487 4.378 50 0 EIAARN O=C([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000067896197 563963015 /nfs/dbraw/zinc/96/30/15/563963015.db2.gz VTUCDJUXVXXOHF-HNNXBMFYSA-N 0 0 329.827 4.418 50 0 EIAARN O=C([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000067896199 563963056 /nfs/dbraw/zinc/96/30/56/563963056.db2.gz VTUCDJUXVXXOHF-OAHLLOKOSA-N 0 0 329.827 4.418 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC(n2cccc2)CC1 ZINC000060450653 563963535 /nfs/dbraw/zinc/96/35/35/563963535.db2.gz RJLMMTSIEDMCCF-UHFFFAOYSA-N 0 0 347.462 4.280 50 0 EIAARN C[C@H](O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000004666544 563963579 /nfs/dbraw/zinc/96/35/79/563963579.db2.gz JQMUUOOKZHGIMA-JTQLQIEISA-N 0 0 340.206 4.064 50 0 EIAARN CC(=O)c1c(C)n(-c2ccc(Br)cc2)c(C)c1C(C)=O ZINC000004707945 563965894 /nfs/dbraw/zinc/96/58/94/563965894.db2.gz JNIRSUCRIFCGQM-UHFFFAOYSA-N 0 0 334.213 4.262 50 0 EIAARN CSc1nc2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2s1 ZINC000036391335 563966378 /nfs/dbraw/zinc/96/63/78/563966378.db2.gz JKIMMJVGUWSBGS-UHFFFAOYSA-N 0 0 342.445 4.205 50 0 EIAARN Cc1c2cc(Br)ccc2oc(=O)c1-c1ccc(O)cc1 ZINC000000057827 563966548 /nfs/dbraw/zinc/96/65/48/563966548.db2.gz GUYIOBAUSCWMBT-UHFFFAOYSA-N 0 0 331.165 4.237 50 0 biogenic,in-vitro EIAARN O=C([C@@H]1CCC(=O)c2ccccc21)N(CC(F)F)c1ccc(F)cc1 ZINC000284610877 563966604 /nfs/dbraw/zinc/96/66/04/563966604.db2.gz IJYGXOMMBBVAFC-MRXNPFEDSA-N 0 0 347.336 4.184 50 0 EIAARN CC(C)(CC1CCOCC1)C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000097015000 563966663 /nfs/dbraw/zinc/96/66/63/563966663.db2.gz RXJIDGVEQRWUDL-SFHVURJKSA-N 0 0 347.524 4.146 50 0 EIAARN Cc1nc(C[S@](=O)[C@H](C)c2cccc(Br)c2)oc1C ZINC000097083667 563967186 /nfs/dbraw/zinc/96/71/86/563967186.db2.gz MYBZZXYOPQZSBF-NSPYISDASA-N 0 0 342.258 4.064 50 0 EIAARN Cc1nc(C[S@](=O)[C@@H](C)c2ccc(OC(F)(F)F)cc2)oc1C ZINC000097083624 563967330 /nfs/dbraw/zinc/96/73/30/563967330.db2.gz JWGYHGXDZOPSCD-BSNNYGBQSA-N 0 0 347.358 4.200 50 0 EIAARN Cc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)c(C)c1 ZINC000000075764 563967609 /nfs/dbraw/zinc/96/76/09/563967609.db2.gz HJCUJLZQLUYSJO-UHFFFAOYSA-N 0 0 346.430 4.311 50 0 EIAARN COc1ccc(Br)cc1NC(=O)Nc1ccsc1 ZINC000097164670 563968477 /nfs/dbraw/zinc/96/84/77/563968477.db2.gz ZVGHOZJJLRNTQO-UHFFFAOYSA-N 0 0 327.203 4.163 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2ccc3occc3c2)[C@H](C)C1 ZINC000077555594 563970360 /nfs/dbraw/zinc/97/03/60/563970360.db2.gz YQOFAXJLSWQTAU-MRXNPFEDSA-N 0 0 334.419 4.092 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000000044520 563970400 /nfs/dbraw/zinc/97/04/00/563970400.db2.gz FGCPODKOHFCFQE-GFCCVEGCSA-N 0 0 329.469 4.338 50 0 EIAARN COC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000053050 563970666 /nfs/dbraw/zinc/97/06/66/563970666.db2.gz QWQABDQXMSDRSZ-AAEUAGOBSA-N 0 0 342.222 4.003 50 0 EIAARN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000097235210 563970815 /nfs/dbraw/zinc/97/08/15/563970815.db2.gz MQVQTGGVIIHBNQ-OAHLLOKOSA-N 0 0 332.469 4.055 50 0 EIAARN NC(=O)[C@H](SC1=Nc2ccccc2CS1)c1ccc(F)cc1 ZINC000011268342 563971026 /nfs/dbraw/zinc/97/10/26/563971026.db2.gz ICEJEZOCOPCURN-CQSZACIVSA-N 0 0 332.425 4.020 50 0 EIAARN CC[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(C)cc1 ZINC000011266549 563971031 /nfs/dbraw/zinc/97/10/31/563971031.db2.gz HWWVDTCGWMCXKM-VQTJNVASSA-N 0 0 340.442 4.195 50 0 EIAARN CCCCN(Cc1ccccc1C)C(=O)c1ccc2nc(C)cn2c1 ZINC000082091658 563972064 /nfs/dbraw/zinc/97/20/64/563972064.db2.gz BWFFJLWAHYHDTC-UHFFFAOYSA-N 0 0 335.451 4.394 50 0 EIAARN Cc1cc(C(=O)N[C@@H](c2ncccc2C)C2CC2)c2ccc(F)cc2n1 ZINC000082097000 563972189 /nfs/dbraw/zinc/97/21/89/563972189.db2.gz ZNMRETWZYWOOLW-HXUWFJFHSA-N 0 0 349.409 4.267 50 0 EIAARN Cc1cn2cc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)ccc2n1 ZINC000082115540 563972382 /nfs/dbraw/zinc/97/23/82/563972382.db2.gz HKUOVMWJAIPQFM-SFHVURJKSA-N 0 0 337.398 4.149 50 0 EIAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1nccs1 ZINC000082120847 563972469 /nfs/dbraw/zinc/97/24/69/563972469.db2.gz FXXQYVVMMSTLEK-NSHDSACASA-N 0 0 347.490 4.305 50 0 EIAARN CCOc1ccccc1C(=O)Nc1ccc(-c2noc(C)n2)cc1C ZINC000004753719 563973318 /nfs/dbraw/zinc/97/33/18/563973318.db2.gz VBUJLZZBCMTMDN-UHFFFAOYSA-N 0 0 337.379 4.004 50 0 EIAARN Cc1nc(CN[C@@H](c2nc3ccccc3n2C)c2ccccc2)oc1C ZINC000125975277 563973319 /nfs/dbraw/zinc/97/33/19/563973319.db2.gz GBVQGSZVTMEJSE-HXUWFJFHSA-N 0 0 346.434 4.057 50 0 EIAARN CC(=O)c1ccc(OC(=O)c2occc2COc2ccccc2)cc1 ZINC000011326809 563973479 /nfs/dbraw/zinc/97/34/79/563973479.db2.gz BNDWRWATAJBYAL-UHFFFAOYSA-N 0 0 336.343 4.280 50 0 EIAARN COC(=O)c1sc(N)cc1O[C@H](C)c1ccccc1C(F)(F)F ZINC000085221429 563973727 /nfs/dbraw/zinc/97/37/27/563973727.db2.gz ULUHOOMPDHUVSR-MRVPVSSYSA-N 0 0 345.342 4.276 50 0 EIAARN Cc1cccc(C(=O)c2ccc(CN3CCSCC3)cc2)c1C ZINC000085651258 563973885 /nfs/dbraw/zinc/97/38/85/563973885.db2.gz CWVOULCMRXEDCY-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN Cc1cccc(C)c1C(=O)c1ccccc1CN1CCSCC1 ZINC000085651665 563973917 /nfs/dbraw/zinc/97/39/17/563973917.db2.gz KPEQPYOGAYAINA-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3CC(C)C)cc1 ZINC000585157936 563974515 /nfs/dbraw/zinc/97/45/15/563974515.db2.gz RFEBWQKTBWEWDC-GOSISDBHSA-N 0 0 346.434 4.251 50 0 EIAARN O=C(c1ncoc1C1CC1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000328951310 563974535 /nfs/dbraw/zinc/97/45/35/563974535.db2.gz XEWAMZGWBBLAGT-CQSZACIVSA-N 0 0 337.379 4.061 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1occc1COc1ccccc1 ZINC000011372954 563974823 /nfs/dbraw/zinc/97/48/23/563974823.db2.gz UTGIXMGVPGUEIN-UHFFFAOYSA-N 0 0 329.302 4.389 50 0 EIAARN CC(C)(C(=O)Nc1ccncc1F)c1cccc(C(F)(F)F)c1 ZINC000132111289 563975036 /nfs/dbraw/zinc/97/50/36/563975036.db2.gz MFLGDCANTJNXHK-UHFFFAOYSA-N 0 0 326.293 4.156 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)N1CC(Oc2c(C)cccc2C)C1 ZINC000091350948 563975314 /nfs/dbraw/zinc/97/53/14/563975314.db2.gz XTCJRBUNMSNELL-UHFFFAOYSA-N 0 0 344.480 4.095 50 0 EIAARN Cc1cc2cc(C(=O)N(C)Cc3ccccc3-n3cccn3)ccc2o1 ZINC000091552072 563975474 /nfs/dbraw/zinc/97/54/74/563975474.db2.gz OAJMAFUBMQDYMS-UHFFFAOYSA-N 0 0 345.402 4.199 50 0 EIAARN CC[C@@H](C(=O)N(Cc1ccsc1)C1CCCCC1)n1cccn1 ZINC000091562699 563975477 /nfs/dbraw/zinc/97/54/77/563975477.db2.gz WWJFUHNFUBNXSZ-KRWDZBQOSA-N 0 0 331.485 4.257 50 0 EIAARN Cc1cc(Cl)ccc1C(=O)N1CCC(c2nccn2C(C)C)CC1 ZINC000091663880 563975620 /nfs/dbraw/zinc/97/56/20/563975620.db2.gz ISXSLDAZZKCUCE-UHFFFAOYSA-N 0 0 345.874 4.446 50 0 EIAARN CCn1nc(C(C)C)cc1C(=O)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000091693557 563975659 /nfs/dbraw/zinc/97/56/59/563975659.db2.gz HRFSBWFWADYSGE-CQSZACIVSA-N 0 0 345.874 4.310 50 0 EIAARN Cc1scc(C(=O)N2CCC[C@@]3(CCOC3)C2)c1-c1ccccc1 ZINC000091770084 563975748 /nfs/dbraw/zinc/97/57/48/563975748.db2.gz MLJRPDWENVQAGS-HXUWFJFHSA-N 0 0 341.476 4.366 50 0 EIAARN CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2csc(N(C)C)n2)C1 ZINC000091769284 563975758 /nfs/dbraw/zinc/97/57/58/563975758.db2.gz GGQNLSBZMPDDIP-GOSISDBHSA-N 0 0 335.517 4.084 50 0 EIAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c[nH]nc1C1CCCCC1 ZINC000092028778 563976033 /nfs/dbraw/zinc/97/60/33/563976033.db2.gz WFCTUQRCLPQZLQ-INIZCTEOSA-N 0 0 342.443 4.040 50 0 EIAARN CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000072288650 563976261 /nfs/dbraw/zinc/97/62/61/563976261.db2.gz DUQDHHJTGJMBOK-WBMJQRKESA-N 0 0 331.847 4.440 50 0 EIAARN Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)cc1 ZINC000095249764 563976669 /nfs/dbraw/zinc/97/66/69/563976669.db2.gz QXINESDBWLTSFM-YSGRDPCXSA-N 0 0 347.414 4.489 50 0 EIAARN C=Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCCC)C2)cc1 ZINC000095358985 563976750 /nfs/dbraw/zinc/97/67/50/563976750.db2.gz RXVPLUVXQGPEKS-LJQANCHMSA-N 0 0 337.467 4.346 50 0 EIAARN CCc1cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)cs1 ZINC000095360043 563976757 /nfs/dbraw/zinc/97/67/57/563976757.db2.gz AFPNLTMQKPPFGL-CQSZACIVSA-N 0 0 331.485 4.108 50 0 EIAARN CC(C)n1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000095366730 563976817 /nfs/dbraw/zinc/97/68/17/563976817.db2.gz HINGOXWFQDAIGO-CYBMUJFWSA-N 0 0 348.397 4.154 50 0 EIAARN CCO[C@H](C)CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000096149073 563979618 /nfs/dbraw/zinc/97/96/18/563979618.db2.gz SMNOBKGLJPCBIO-OAHLLOKOSA-N 0 0 328.412 4.368 50 0 EIAARN Cc1nc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C(C)C)cs1 ZINC000096160080 563979804 /nfs/dbraw/zinc/97/98/04/563979804.db2.gz URKGMICUCVIDBZ-SFHVURJKSA-N 0 0 339.464 4.328 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)NCCCC[C@H]1CCCO1 ZINC000096160023 563979810 /nfs/dbraw/zinc/97/98/10/563979810.db2.gz ZAERXMDVGVDBCI-ZDUSSCGKSA-N 0 0 340.851 4.128 50 0 EIAARN COc1ccccc1-c1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000096193808 563980107 /nfs/dbraw/zinc/98/01/07/563980107.db2.gz ZZBKXMSAWFFCMZ-UHFFFAOYSA-N 0 0 348.387 4.275 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@H]1c1ccncc1 ZINC000247797101 563981662 /nfs/dbraw/zinc/98/16/62/563981662.db2.gz CZNMJPQFBVTUFJ-KURKYZTESA-N 0 0 326.827 4.202 50 0 EIAARN Cc1nnc([C@@H]2CCCN2Cc2ccc(-c3ccccc3Cl)o2)[nH]1 ZINC000097713704 563981782 /nfs/dbraw/zinc/98/17/82/563981782.db2.gz JBGXJKCDQMJWIR-INIZCTEOSA-N 0 0 342.830 4.364 50 0 EIAARN O=c1cc(CSc2ccc(Cl)cc2)[nH]c2nc3ccccc3n21 ZINC000100129204 563982365 /nfs/dbraw/zinc/98/23/65/563982365.db2.gz ZHKHBTGCVYXPAO-UHFFFAOYSA-N 0 0 341.823 4.122 50 0 EIAARN C[S@@](=O)(=NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000100218605 563982416 /nfs/dbraw/zinc/98/24/16/563982416.db2.gz ZBPQVZYZJDOKPQ-QFIPXVFZSA-N 0 0 327.327 4.003 50 0 EIAARN CCCN(CCC)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O ZINC000033392140 563983471 /nfs/dbraw/zinc/98/34/71/563983471.db2.gz SNGGLDIUKOCGBQ-VBKFSLOCSA-N 0 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331.824 4.487 50 0 aggregator EIAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1C(F)(F)F ZINC000005439764 564004008 /nfs/dbraw/zinc/00/40/08/564004008.db2.gz LWPLJBYFSLSXAZ-UHFFFAOYSA-N 0 0 348.324 4.085 50 0 EIAARN Cc1ccc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2c1 ZINC000005443085 564004073 /nfs/dbraw/zinc/00/40/73/564004073.db2.gz CQMJJMQLKIWDCS-UHFFFAOYSA-N 0 0 334.347 4.458 50 0 EIAARN COc1ccccc1CNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000003094206 564004146 /nfs/dbraw/zinc/00/41/46/564004146.db2.gz RDHHIEJZQUWZMR-UHFFFAOYSA-N 0 0 331.415 4.221 50 0 EIAARN CSc1cc(-c2csc([C@@H]3CCCO3)n2)ccc1NC(C)=O ZINC000136481802 564004157 /nfs/dbraw/zinc/00/41/57/564004157.db2.gz BCBMFQZESHJTES-AWEZNQCLSA-N 0 0 334.466 4.342 50 0 EIAARN Cc1ccc(C(=O)NCCc2csc(-c3cccs3)n2)cc1C ZINC000005452273 564004218 /nfs/dbraw/zinc/00/42/18/564004218.db2.gz LLGCZMZPBQEAHF-UHFFFAOYSA-N 0 0 342.489 4.461 50 0 EIAARN CC(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000003270496 564004327 /nfs/dbraw/zinc/00/43/27/564004327.db2.gz 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CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 ZINC000017247805 564011451 /nfs/dbraw/zinc/01/14/51/564011451.db2.gz HDCOCIKSJAHSSO-UHFFFAOYSA-N 0 0 342.826 4.282 50 0 EIAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCC(C)CC1 ZINC000017355677 564011728 /nfs/dbraw/zinc/01/17/28/564011728.db2.gz UVAMWDXPMALIJY-UHFFFAOYSA-N 0 0 344.480 4.211 50 0 EIAARN Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 ZINC000017366830 564011756 /nfs/dbraw/zinc/01/17/56/564011756.db2.gz WTDGYUMFMMZSNG-UHFFFAOYSA-N 0 0 336.357 4.261 50 0 EIAARN O=C(C[C@@H]1OCCc2ccccc21)Nc1cncc(Cl)c1Cl ZINC000180152954 564012368 /nfs/dbraw/zinc/01/23/68/564012368.db2.gz QSLDEGPTMPOTRH-AWEZNQCLSA-N 0 0 337.206 4.031 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)c(F)c1 ZINC000176233948 564013372 /nfs/dbraw/zinc/01/33/72/564013372.db2.gz GAMIJXPOFAQBRF-QGZVFWFLSA-N 0 0 339.370 4.114 50 0 EIAARN CCCOc1cccc(C(=O)Nc2cccc(Br)c2)c1 ZINC000002997452 564013481 /nfs/dbraw/zinc/01/34/81/564013481.db2.gz MPYCCXHFLALSKD-UHFFFAOYSA-N 0 0 334.213 4.490 50 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337.419 4.208 50 0 EIAARN CCCn1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000000490980 564017583 /nfs/dbraw/zinc/01/75/83/564017583.db2.gz GQLNCJJBSSFSBK-SFHVURJKSA-N 0 0 346.430 4.407 50 0 biogenic EIAARN CC(C)[C@H](CCN1C(=O)c2ccccc2C1=O)[C@H]1CCOC(C)(C)C1 ZINC000000490392 564017596 /nfs/dbraw/zinc/01/75/96/564017596.db2.gz MRENQJGAOWEDBH-HOTGVXAUSA-N 0 0 343.467 4.150 50 0 EIAARN CN(C)c1ccc(CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000011693640 564017803 /nfs/dbraw/zinc/01/78/03/564017803.db2.gz OVWIOICEZHJOAC-UHFFFAOYSA-N 0 0 340.511 4.018 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cccc(Cl)c1 ZINC000005679417 564018253 /nfs/dbraw/zinc/01/82/53/564018253.db2.gz NHKVVCDWYNGPPQ-UHFFFAOYSA-N 0 0 338.234 4.467 50 0 EIAARN CCc1c(C)c2ccc(OCC(=O)c3ccc(C)cc3)cc2oc1=O ZINC000000499776 564018436 /nfs/dbraw/zinc/01/84/36/564018436.db2.gz UYJKNUHVSNXIGD-UHFFFAOYSA-N 0 0 336.387 4.234 50 0 EIAARN CCCc1nnc(NC(=O)[C@H](c2ccccc2)C2CCCC2)s1 ZINC000018194393 564018673 /nfs/dbraw/zinc/01/86/73/564018673.db2.gz BFMZPJKZBOXOTE-MRXNPFEDSA-N 0 0 329.469 4.403 50 0 EIAARN CCOc1ccccc1OCCCC(=O)Nc1cc(F)ccc1C ZINC000005688242 564018788 /nfs/dbraw/zinc/01/87/88/564018788.db2.gz KFUCIPJIJNRPHD-UHFFFAOYSA-N 0 0 331.387 4.331 50 0 EIAARN Cc1csc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1 ZINC000005689358 564018843 /nfs/dbraw/zinc/01/88/43/564018843.db2.gz FPJUBJITMUGWFE-UHFFFAOYSA-N 0 0 347.509 4.173 50 0 EIAARN CCCCc1nc(C)c(C(=O)Nc2cccc(-c3nnco3)c2)s1 ZINC000046695211 564020175 /nfs/dbraw/zinc/02/01/75/564020175.db2.gz WZVREMRBOSFXDA-UHFFFAOYSA-N 0 0 342.424 4.096 50 0 EIAARN CC(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000000514027 564020388 /nfs/dbraw/zinc/02/03/88/564020388.db2.gz KTXOPIYQMOYREV-UHFFFAOYSA-N 0 0 342.464 4.102 50 0 EIAARN Cc1ccc(Cn2ncc3c2ncnc3Nc2ccc(C)cc2)cc1 ZINC000000521277 564021027 /nfs/dbraw/zinc/02/10/27/564021027.db2.gz FTYJVJJYTRJAEI-UHFFFAOYSA-N 0 0 329.407 4.235 50 0 EIAARN Fc1ccccc1-n1c(-c2ccco2)nc2nc3ccccc3nc21 ZINC000000522541 564021110 /nfs/dbraw/zinc/02/11/10/564021110.db2.gz LWVDUTWNDNYHAP-UHFFFAOYSA-N 0 0 330.322 4.368 50 0 EIAARN COc1ccc(-c2nsc(NC(=O)c3cc(C)ccc3C)n2)cc1 ZINC000103035231 564021140 /nfs/dbraw/zinc/02/11/40/564021140.db2.gz ILYLHOGAYLLOEJ-UHFFFAOYSA-N 0 0 339.420 4.083 50 0 EIAARN Cc1ccc([C@@H](O)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000000524817 564021156 /nfs/dbraw/zinc/02/11/56/564021156.db2.gz SCPISPPQCXWGRP-CYFREDJKSA-N 0 0 347.395 4.081 50 0 EIAARN Cc1csc(Cc2nc(-c3ccc4c(c3)[C@H](C)C(=O)N4)cs2)n1 ZINC000103118765 564021382 /nfs/dbraw/zinc/02/13/82/564021382.db2.gz NEEMRKABEMGCHF-JTQLQIEISA-N 0 0 341.461 4.221 50 0 EIAARN Nn1c(SCc2cccc3ccccc32)nnc1-c1ccccc1 ZINC000000532372 564021580 /nfs/dbraw/zinc/02/15/80/564021580.db2.gz XTNSUIXMUFGCEB-UHFFFAOYSA-N 0 0 332.432 4.104 50 0 EIAARN O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCCC1 ZINC000000536015 564022126 /nfs/dbraw/zinc/02/21/26/564022126.db2.gz ZXXAJGZLPMDZCP-UHFFFAOYSA-N 0 0 347.418 4.420 50 0 EIAARN CCCc1nc2sc3c(ncnc3N3CCCC3)c2c2c1CCC2 ZINC000000541223 564022487 /nfs/dbraw/zinc/02/24/87/564022487.db2.gz SYVSUMNDYFTTGZ-UHFFFAOYSA-N 0 0 338.480 4.281 50 0 EIAARN COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000000550286 564022878 /nfs/dbraw/zinc/02/28/78/564022878.db2.gz KYNSXMAKSUGMEA-UHFFFAOYSA-N 0 0 328.371 4.061 50 0 EIAARN CCN(CC)C(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 ZINC000000561024 564023289 /nfs/dbraw/zinc/02/32/89/564023289.db2.gz BMSLDXBVDNMCHK-UHFFFAOYSA-N 0 0 340.467 4.273 50 0 EIAARN O=C(COc1ccccc1Cl)Nc1ccccc1N1CCCCC1 ZINC000000569666 564023501 /nfs/dbraw/zinc/02/35/01/564023501.db2.gz LJPZBVREUCZFMD-UHFFFAOYSA-N 0 0 344.842 4.348 50 0 EIAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1cc(=O)c2ccccc2o1 ZINC000006423365 564023766 /nfs/dbraw/zinc/02/37/66/564023766.db2.gz FJMGSEKNGVKBDR-UHFFFAOYSA-N 0 0 349.169 4.457 50 0 EIAARN Cc1nc2cc(NC(=O)c3ccc(F)cc3Br)ccc2o1 ZINC000015600315 564024247 /nfs/dbraw/zinc/02/42/47/564024247.db2.gz ROPCMENYTYKKLM-UHFFFAOYSA-N 0 0 349.159 4.290 50 0 EIAARN CCn1cnnc1-c1cccc(NC(=O)c2oc3ccccc3c2C)c1 ZINC000024581436 564024705 /nfs/dbraw/zinc/02/47/05/564024705.db2.gz PTBJHYSEIUTWMP-UHFFFAOYSA-N 0 0 346.390 4.272 50 0 EIAARN CCc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)cc1 ZINC000017067333 564024801 /nfs/dbraw/zinc/02/48/01/564024801.db2.gz RMXRUERDBULDGT-UHFFFAOYSA-N 0 0 328.462 4.161 50 0 EIAARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NC(=S)N2)cc1 ZINC000051329830 564025163 /nfs/dbraw/zinc/02/51/63/564025163.db2.gz YMSAAHXCMQWYJH-IBGZPJMESA-N 0 0 346.455 4.408 50 0 EIAARN C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(C(C)(C)C)cc1 ZINC000010111910 564025188 /nfs/dbraw/zinc/02/51/88/564025188.db2.gz LURAPBBGKUNDAO-KUHUBIRLSA-N 0 0 339.435 4.001 50 0 EIAARN COc1cccc(-c2cc(-c3nc(-c4ccc(C)cc4)no3)n[nH]2)c1 ZINC000046914037 564025517 /nfs/dbraw/zinc/02/55/17/564025517.db2.gz MAALNEXMOUNUGT-UHFFFAOYSA-N 0 0 332.363 4.111 50 0 EIAARN Cc1ccc(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003051550 564026144 /nfs/dbraw/zinc/02/61/44/564026144.db2.gz YCPPTWFEDMZRNZ-ZDUSSCGKSA-N 0 0 337.678 4.266 50 0 EIAARN O=C(c1cccs1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000012113188 564026346 /nfs/dbraw/zinc/02/63/46/564026346.db2.gz KSGQBGIPJRZNCZ-UHFFFAOYSA-N 0 0 349.459 4.096 50 0 biogenic EIAARN Cc1cccc(-c2nnc(SCc3cn4cccc(C)c4n3)o2)c1 ZINC000012139361 564026368 /nfs/dbraw/zinc/02/63/68/564026368.db2.gz JFYJCOKHKDFJOG-UHFFFAOYSA-N 0 0 336.420 4.293 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCCC[C@H]1c1nccs1 ZINC000106912718 564026738 /nfs/dbraw/zinc/02/67/38/564026738.db2.gz CFJIZSOFFPKXDY-ZOWXZIJZSA-N 0 0 348.418 4.279 50 0 EIAARN O=C(NCc1cccs1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044839307 564027368 /nfs/dbraw/zinc/02/73/68/564027368.db2.gz YRTSREQVKJQBGZ-UHFFFAOYSA-N 0 0 333.416 4.221 50 0 EIAARN O=C1CS[C@H](c2ccc(O)cc2)c2cnn(-c3ccccc3)c2N1 ZINC000044894192 564027549 /nfs/dbraw/zinc/02/75/49/564027549.db2.gz DMYZCXVCOLRTQZ-QGZVFWFLSA-N 0 0 337.404 4.002 50 0 EIAARN CN(Cc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000044894348 564027577 /nfs/dbraw/zinc/02/75/77/564027577.db2.gz PMDAFCBZXZRPBH-UHFFFAOYSA-N 0 0 338.382 4.072 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)N[C@@H](c2cccs2)C(C)C)on1 ZINC000044967130 564027938 /nfs/dbraw/zinc/02/79/38/564027938.db2.gz KNVKCKOOFRLKSB-CZUORRHYSA-N 0 0 333.457 4.288 50 0 EIAARN Cc1ccc(CS(=O)(=O)Cc2csc(-c3cccs3)n2)cc1 ZINC000045321181 564028400 /nfs/dbraw/zinc/02/84/00/564028400.db2.gz AXYALUWRSKOVSH-UHFFFAOYSA-N 0 0 349.502 4.295 50 0 EIAARN COc1cc(F)ccc1NC(=O)COc1ccc2ccccc2c1 ZINC000045442153 564028458 /nfs/dbraw/zinc/02/84/58/564028458.db2.gz KCMXJXRZJYOELH-UHFFFAOYSA-N 0 0 325.339 4.005 50 0 EIAARN CC(C)(C)c1nc(CN(Cc2ccco2)Cc2cccs2)no1 ZINC000045810429 564028668 /nfs/dbraw/zinc/02/86/68/564028668.db2.gz PPXINIPWMVIZEE-UHFFFAOYSA-N 0 0 331.441 4.224 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2c(C)cccc2Cl)cc1 ZINC000051354304 564028715 /nfs/dbraw/zinc/02/87/15/564028715.db2.gz NYEFLGSKTOEQMA-UHFFFAOYSA-N 0 0 332.787 4.469 50 0 EIAARN CCCCc1nc(CN2CCC([C@H](O)c3ccccc3)CC2)cs1 ZINC000045914058 564028862 /nfs/dbraw/zinc/02/88/62/564028862.db2.gz VDRWWFKXLAFCFI-HXUWFJFHSA-N 0 0 344.524 4.431 50 0 EIAARN O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2F)C1c1ccccc1 ZINC000045942759 564028969 /nfs/dbraw/zinc/02/89/69/564028969.db2.gz CLPFKOBTEVFLLX-IBGZPJMESA-N 0 0 349.361 4.472 50 0 EIAARN O=C(CSc1ncc(-c2ccccc2)o1)Nc1cccc(F)c1 ZINC000045943093 564029002 /nfs/dbraw/zinc/02/90/02/564029002.db2.gz HGQKKRUMTKSWTD-UHFFFAOYSA-N 0 0 328.368 4.212 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1nc2cc(C)c(C)cc2nc1OC ZINC000045967235 564029062 /nfs/dbraw/zinc/02/90/62/564029062.db2.gz QWKHZDFVLPDPMK-UHFFFAOYSA-N 0 0 349.434 4.378 50 0 EIAARN CC(C)n1c(=O)oc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 ZINC000046010437 564029137 /nfs/dbraw/zinc/02/91/37/564029137.db2.gz STOAPBPGJSCUIE-UHFFFAOYSA-N 0 0 344.798 4.010 50 0 EIAARN CCc1cccc(C)c1-n1nnnc1[C@@](C)(CC)Nc1ccccc1 ZINC000046078221 564029455 /nfs/dbraw/zinc/02/94/55/564029455.db2.gz AFASFTWJWYQQEI-HXUWFJFHSA-N 0 0 335.455 4.270 50 0 EIAARN O=C(NCc1cc(-c2ccccc2)no1)Nc1cccc2cnccc21 ZINC000047698794 564029630 /nfs/dbraw/zinc/02/96/30/564029630.db2.gz NJVZWALYRDMQOQ-UHFFFAOYSA-N 0 0 344.374 4.212 50 0 EIAARN CN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1-n1cccn1 ZINC000048149716 564030006 /nfs/dbraw/zinc/03/00/06/564030006.db2.gz UWHVZSCXBPGFEG-UHFFFAOYSA-N 0 0 340.814 4.190 50 0 EIAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1 ZINC000048202629 564030038 /nfs/dbraw/zinc/03/00/38/564030038.db2.gz VEGOGVCWFDQYBG-NYYWCZLTSA-N 0 0 335.338 4.060 50 0 EIAARN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccncc1 ZINC000048189654 564030042 /nfs/dbraw/zinc/03/00/42/564030042.db2.gz CQHBMUXBQHDLFJ-SNVBAGLBSA-N 0 0 341.263 4.185 50 0 EIAARN COc1ccc2cc(CN(C)[C@H](C)c3nc(C4CC4)no3)ccc2c1 ZINC000048234235 564030104 /nfs/dbraw/zinc/03/01/04/564030104.db2.gz PQTPFLWWVKQXBK-CYBMUJFWSA-N 0 0 337.423 4.302 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1 ZINC000048287885 564030516 /nfs/dbraw/zinc/03/05/16/564030516.db2.gz AJNWVANEWDYGDZ-IAQYHMDHSA-N 0 0 326.371 4.296 50 0 EIAARN Cc1nnc(-c2cccc(C(=O)N3CCC[C@H](C(C)(C)C)CC3)c2)o1 ZINC000081410057 564030550 /nfs/dbraw/zinc/03/05/50/564030550.db2.gz KHAFACWZJMBJPU-KRWDZBQOSA-N 0 0 341.455 4.333 50 0 EIAARN c1ccc(Cc2noc(CN3CCC(c4ccccc4)CC3)n2)cc1 ZINC000048275629 564030605 /nfs/dbraw/zinc/03/06/05/564030605.db2.gz ZEDZHNPBDZMUDY-UHFFFAOYSA-N 0 0 333.435 4.040 50 0 EIAARN C[C@H](NC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c21)C1CC1 ZINC000048278569 564030631 /nfs/dbraw/zinc/03/06/31/564030631.db2.gz TVLSGHBQPHLEHI-LBPRGKRZSA-N 0 0 347.418 4.296 50 0 EIAARN Cc1nc(CNC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cs1 ZINC000048341344 564031246 /nfs/dbraw/zinc/03/12/46/564031246.db2.gz XXGPYCIOZDISEH-BZNIZROVSA-N 0 0 345.468 4.042 50 0 EIAARN O=C(CN(Cc1ccco1)C1CCCC1)Nc1ccccc1Cl ZINC000048367777 564031617 /nfs/dbraw/zinc/03/16/17/564031617.db2.gz FMCBJOWCWJLWOQ-UHFFFAOYSA-N 0 0 332.831 4.316 50 0 EIAARN Cc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)c(C)c2)n1 ZINC000049420747 564032735 /nfs/dbraw/zinc/03/27/35/564032735.db2.gz ZLVOMLHKASKAHX-UHFFFAOYSA-N 0 0 349.369 4.488 50 0 EIAARN Cc1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 ZINC000049600868 564032816 /nfs/dbraw/zinc/03/28/16/564032816.db2.gz GZCYZQPFQWVSBP-UHFFFAOYSA-N 0 0 328.419 4.152 50 0 EIAARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1cccc2ccccc21 ZINC000005144970 564033091 /nfs/dbraw/zinc/03/30/91/564033091.db2.gz JCUNQGHOWZXLPX-UHFFFAOYSA-N 0 0 338.432 4.130 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000341754649 564033274 /nfs/dbraw/zinc/03/32/74/564033274.db2.gz AYUIWVJCXOBDRX-PMACEKPBSA-N 0 0 338.451 4.199 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000341754652 564033281 /nfs/dbraw/zinc/03/32/81/564033281.db2.gz AYUIWVJCXOBDRX-WOJBJXKFSA-N 0 0 338.451 4.199 50 0 EIAARN CC(=O)N(C)Cc1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000006748337 564033412 /nfs/dbraw/zinc/03/34/12/564033412.db2.gz LWQLMOCWFWJXLI-UHFFFAOYSA-N 0 0 343.430 4.216 50 0 EIAARN C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000006787881 564033516 /nfs/dbraw/zinc/03/35/16/564033516.db2.gz YWAPWTMIBYCKAR-JTQLQIEISA-N 0 0 330.236 4.033 50 0 EIAARN CCN1CCSc2ccc(C(=O)NCCC3=CCCCC3)cc21 ZINC000006802676 564033547 /nfs/dbraw/zinc/03/35/47/564033547.db2.gz QIIBGYQJIQOTDS-UHFFFAOYSA-N 0 0 330.497 4.239 50 0 EIAARN COc1ccc(C(=O)CCNc2cc(OC)c(Cl)cc2OC)cc1 ZINC000000732299 564034006 /nfs/dbraw/zinc/03/40/06/564034006.db2.gz AAQOYUNGKPPVIC-UHFFFAOYSA-N 0 0 349.814 4.051 50 0 EIAARN O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1cccc(Cl)c1 ZINC000003173714 564034299 /nfs/dbraw/zinc/03/42/99/564034299.db2.gz WMNKKLQQTODSSI-DHDCSXOGSA-N 0 0 344.823 4.446 50 0 EIAARN Cc1cc(/C=C/C(=O)N[C@H]2CCOc3ccccc32)c(C)n1C1CC1 ZINC000007312735 564034305 /nfs/dbraw/zinc/03/43/05/564034305.db2.gz ZUKPZJHGTRHICE-VQFGERMISA-N 0 0 336.435 4.093 50 0 EIAARN Cc1cc(C)cc(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1 ZINC000003188990 564034359 /nfs/dbraw/zinc/03/43/59/564034359.db2.gz AHVJADRSKAMLKX-UHFFFAOYSA-N 0 0 329.240 4.275 50 0 EIAARN COc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1Br ZINC000007705055 564034448 /nfs/dbraw/zinc/03/44/48/564034448.db2.gz USVZIFBYTPABHC-UHFFFAOYSA-N 0 0 346.224 4.199 50 0 EIAARN Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1Cc1cccs1 ZINC000008132140 564034723 /nfs/dbraw/zinc/03/47/23/564034723.db2.gz RXHUENPSCDQALU-UHFFFAOYSA-N 0 0 349.459 4.447 50 0 EIAARN Cc1cc(-c2csc(Nc3ccccc3)n2)c(C)n1-c1nc[nH]n1 ZINC000008156061 564034757 /nfs/dbraw/zinc/03/47/57/564034757.db2.gz IJQXEDSFXLJMPV-UHFFFAOYSA-N 0 0 336.424 4.079 50 0 EIAARN Cc1ccccc1C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024931302 564034768 /nfs/dbraw/zinc/03/47/68/564034768.db2.gz XPWDXAWFTOHHMI-HXUWFJFHSA-N 0 0 345.446 4.047 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1F ZINC000008114805 564034794 /nfs/dbraw/zinc/03/47/94/564034794.db2.gz RXFZMKHAZLWRST-UHFFFAOYSA-N 0 0 341.357 4.474 50 0 EIAARN Cc1cc(C)nc(N=NCc2ccccc2OCc2ccccc2)n1 ZINC000008306368 564035215 /nfs/dbraw/zinc/03/52/15/564035215.db2.gz NWFHWIJRCYRLGB-UHFFFAOYSA-N 0 0 332.407 4.118 50 0 EIAARN CCCCCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000008327483 564035309 /nfs/dbraw/zinc/03/53/09/564035309.db2.gz QDJLUHCZYNFUJT-UHFFFAOYSA-N 0 0 340.423 4.466 50 0 EIAARN CC[C@H]1CN(Cc2ccc(O)c(Cl)c2)Cc2cc(OC)ccc2O1 ZINC000014973939 564035749 /nfs/dbraw/zinc/03/57/49/564035749.db2.gz FSIUEYRBRPIHOA-HNNXBMFYSA-N 0 0 347.842 4.227 50 0 EIAARN O=C(CCSCc1ccc(F)cc1)N1CCC[C@H]1c1ccccn1 ZINC000220023349 564035781 /nfs/dbraw/zinc/03/57/81/564035781.db2.gz FCCSYQMUPDXMQZ-SFHVURJKSA-N 0 0 344.455 4.208 50 0 EIAARN O=C(NNc1ccc(F)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000095373569 564036064 /nfs/dbraw/zinc/03/60/64/564036064.db2.gz WNJVEGPEMHSLJE-UHFFFAOYSA-N 0 0 330.378 4.310 50 0 EIAARN CCOC(=S)SCc1nc2oc3c(c2c(Cl)n1)CCCC3 ZINC000221541082 564036269 /nfs/dbraw/zinc/03/62/69/564036269.db2.gz BIXQLIVWNAJXPC-UHFFFAOYSA-N 0 0 342.873 4.310 50 0 EIAARN C[C@@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000024481897 564036579 /nfs/dbraw/zinc/03/65/79/564036579.db2.gz DYDMCNRXYTWBDX-GFCCVEGCSA-N 0 0 342.395 4.355 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)NCCCSc2ccc(F)cc2)c1 ZINC000024729525 564036652 /nfs/dbraw/zinc/03/66/52/564036652.db2.gz BTFWDAPKVXWFGS-OAHLLOKOSA-N 0 0 347.455 4.200 50 0 EIAARN Cc1cc([C@@H]2CCCCN2C(=O)Cc2c(C)[nH]c3ccccc32)no1 ZINC000222345209 564036806 /nfs/dbraw/zinc/03/68/06/564036806.db2.gz KOJFYGTTWPKNHT-IBGZPJMESA-N 0 0 337.423 4.069 50 0 EIAARN Fc1ccc(Br)cc1CN[C@@H]1CCOc2ccccc21 ZINC000025357289 564037208 /nfs/dbraw/zinc/03/72/08/564037208.db2.gz DRQPZROIBIYNNZ-OAHLLOKOSA-N 0 0 336.204 4.202 50 0 EIAARN COC(=O)c1ccc(OCCOc2ccc(Cl)cc2Cl)cc1 ZINC000002990574 564045224 /nfs/dbraw/zinc/04/52/24/564045224.db2.gz XWMRREVYYUITRN-UHFFFAOYSA-N 0 0 341.190 4.238 50 0 EIAARN Cc1cc(O)ccc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000225429584 564046644 /nfs/dbraw/zinc/04/66/44/564046644.db2.gz FCSJRQJDNDBFCU-UHFFFAOYSA-N 0 0 344.386 4.077 50 0 EIAARN COc1cc(CN(C(=O)Nc2ccc(C)c(C)c2)C2CC2)ccc1O ZINC000225530608 564047593 /nfs/dbraw/zinc/04/75/93/564047593.db2.gz UOROOZSFLNLQFY-UHFFFAOYSA-N 0 0 340.423 4.214 50 0 EIAARN CC(C)[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccs1 ZINC000029189883 564047762 /nfs/dbraw/zinc/04/77/62/564047762.db2.gz NSSVHGLBYYNARI-INIZCTEOSA-N 0 0 347.871 4.125 50 0 EIAARN COc1ccc(C(=O)C[C@H](C)C(=O)O[C@@H](C)c2cccc(F)c2)cc1 ZINC000225618945 564048511 /nfs/dbraw/zinc/04/85/11/564048511.db2.gz LFFTVEHCTPKEOU-KBPBESRZSA-N 0 0 344.382 4.348 50 0 EIAARN Cc1ccc(-c2nnc(N(Cc3ccccc3)C(C)C)n2C)s1 ZINC000225688512 564049381 /nfs/dbraw/zinc/04/93/81/564049381.db2.gz ABTNJDPBGVIAIX-UHFFFAOYSA-N 0 0 326.469 4.267 50 0 EIAARN C[C@H](NCc1nc(Cc2ccccc2)no1)c1ccc(Cl)cc1 ZINC000058341550 564050340 /nfs/dbraw/zinc/05/03/40/564050340.db2.gz XSDQRLLQSNEEAW-ZDUSSCGKSA-N 0 0 327.815 4.165 50 0 EIAARN c1nc(CN2CCC[C@H]2c2nc3ccccc3s2)oc1C1CC1 ZINC000239366875 564051601 /nfs/dbraw/zinc/05/16/01/564051601.db2.gz AGMFMKGAXILCGC-AWEZNQCLSA-N 0 0 325.437 4.499 50 0 EIAARN O=C(c1ccnn1CC(F)F)N1CCCCC[C@@H]1C1CCCCC1 ZINC000239366918 564051610 /nfs/dbraw/zinc/05/16/10/564051610.db2.gz AGSVAVBAPFPGDL-OAHLLOKOSA-N 0 0 339.430 4.113 50 0 EIAARN CSc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1ncc(C)s1 ZINC000241371430 564051959 /nfs/dbraw/zinc/05/19/59/564051959.db2.gz MNNHFVZKSKKANP-VXGBXAGGSA-N 0 0 335.498 4.295 50 0 EIAARN Cc1cc2c(ncnc2NCc2ccccc2-n2ccnc2C)s1 ZINC000241644423 564052067 /nfs/dbraw/zinc/05/20/67/564052067.db2.gz PQPCJTCMNWXWJW-UHFFFAOYSA-N 0 0 335.436 4.106 50 0 EIAARN Cc1[nH]c2ccc(C(=O)OCc3cc(-c4ccco4)on3)cc2c1C ZINC000019054552 564053196 /nfs/dbraw/zinc/05/31/96/564053196.db2.gz VXONMUARTJULGZ-UHFFFAOYSA-N 0 0 336.347 4.390 50 0 EIAARN O=C(CCC1CCCC1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000000897651 564053197 /nfs/dbraw/zinc/05/31/97/564053197.db2.gz NVFGYDXQUFCDBV-UHFFFAOYSA-N 0 0 326.396 4.441 50 0 EIAARN CCc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1-c1ccccc1 ZINC000252483356 564053369 /nfs/dbraw/zinc/05/33/69/564053369.db2.gz DZLJGAZHMMIIQF-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN Cc1c(Cl)cccc1NCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000015086737 564053614 /nfs/dbraw/zinc/05/36/14/564053614.db2.gz GRBJUOKGRNRGHA-UHFFFAOYSA-N 0 0 340.757 4.300 50 0 EIAARN C[C@@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000253409293 564053621 /nfs/dbraw/zinc/05/36/21/564053621.db2.gz ZYZBUARHBCRTFR-QGCDCVKKSA-N 0 0 335.447 4.109 50 0 EIAARN COC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccccc12 ZINC000000968514 564053848 /nfs/dbraw/zinc/05/38/48/564053848.db2.gz ZEZZTCJQVQMCKA-UHFFFAOYSA-N 0 0 329.355 4.110 50 0 EIAARN O=C(Nc1cc(C(=O)NC2CCCCC2)ccc1Cl)c1ccco1 ZINC000001006620 564053995 /nfs/dbraw/zinc/05/39/95/564053995.db2.gz BEOOXRBGTXZHJP-UHFFFAOYSA-N 0 0 346.814 4.248 50 0 EIAARN CC(C)N=C1NC(=Cc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000001016286 564054012 /nfs/dbraw/zinc/05/40/12/564054012.db2.gz QVEMAJDWFCRHHM-GZTJUZNOSA-N 0 0 339.826 4.082 50 0 EIAARN Cc1nc(-c2ccccc2)nc2sc(C(=O)c3ccccc3)c(N)c21 ZINC000001106225 564054472 /nfs/dbraw/zinc/05/44/72/564054472.db2.gz CBYWUMPBELKTMK-UHFFFAOYSA-N 0 0 345.427 4.480 50 0 EIAARN CCN(CC)c1nc2ccccc2n2c(/C=C\c3ccccc3)nnc12 ZINC000211072325 564054552 /nfs/dbraw/zinc/05/45/52/564054552.db2.gz YHBCERWYFMOQLI-PFONDFGASA-N 0 0 343.434 4.294 50 0 EIAARN O=C(NCc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000052659589 564054564 /nfs/dbraw/zinc/05/45/64/564054564.db2.gz QQTOMCCJDITTOP-INIZCTEOSA-N 0 0 337.448 4.343 50 0 EIAARN O=S(=O)(Oc1cccc2ccccc21)c1cccc2cccnc21 ZINC000004146871 564054569 /nfs/dbraw/zinc/05/45/69/564054569.db2.gz NUIZXCOIXVWAEY-UHFFFAOYSA-N 0 0 335.384 4.156 50 0 EIAARN COc1ccc(/C=C\C(=O)N(C(C)C)C(C)C)cc1Br ZINC000005834645 564056578 /nfs/dbraw/zinc/05/65/78/564056578.db2.gz APDMHZKESGQPPV-CLFYSBASSA-N 0 0 340.261 4.116 50 0 EIAARN Cc1ccc(-c2nc(SCCCOc3ccc(F)cc3)n[nH]2)cc1 ZINC000005865601 564056687 /nfs/dbraw/zinc/05/66/87/564056687.db2.gz VHXSXFNIESNUQG-UHFFFAOYSA-N 0 0 343.427 4.480 50 0 EIAARN CC(C)c1ccc(NC(=O)COc2ccc(Cl)cc2C=O)cc1 ZINC000005867554 564056731 /nfs/dbraw/zinc/05/67/31/564056731.db2.gz MZFHMNJZBKVYRC-UHFFFAOYSA-N 0 0 331.799 4.293 50 0 EIAARN CCCN1C(=O)/C(=C\c2ccco2)SC1=Nc1ccc(OC)cc1 ZINC000005892193 564056819 /nfs/dbraw/zinc/05/68/19/564056819.db2.gz PJISWKBBHQWKMQ-UXXGDZGPSA-N 0 0 342.420 4.302 50 0 EIAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C)(C)C ZINC000005900825 564056891 /nfs/dbraw/zinc/05/68/91/564056891.db2.gz KOQNDOOJKZYQLE-UHFFFAOYSA-N 0 0 335.400 4.325 50 0 EIAARN COc1ccc([C@@H]2OC[C@]3(COC(C)=O)[C@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 ZINC000005912140 564056978 /nfs/dbraw/zinc/05/69/78/564056978.db2.gz WSCCZHJZVDZUSC-HLYJZUKSSA-N 0 0 344.451 4.164 50 0 biogenic EIAARN OCc1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000005939194 564057105 /nfs/dbraw/zinc/05/71/05/564057105.db2.gz PNHPZPROLLYHNX-UHFFFAOYSA-N 0 0 327.236 4.295 50 0 EIAARN CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1cc[nH]n1 ZINC000063339167 564057183 /nfs/dbraw/zinc/05/71/83/564057183.db2.gz USXNEMUAAPVQGA-UHFFFAOYSA-N 0 0 343.427 4.328 50 0 EIAARN OC1CCC(Nc2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000005944232 564057228 /nfs/dbraw/zinc/05/72/28/564057228.db2.gz NRSHITQKQUGKQX-UHFFFAOYSA-N 0 0 325.437 4.074 50 0 EIAARN CCC(NCc1ccccc1Cl)=C1N=C(c2ccccc2)OC1=O ZINC000006024145 564057629 /nfs/dbraw/zinc/05/76/29/564057629.db2.gz SBGVAEXGTCIRHC-MSUUIHNZSA-N 0 0 340.810 4.055 50 0 EIAARN CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000003896709 564057887 /nfs/dbraw/zinc/05/78/87/564057887.db2.gz SJALNXBEQFPSCK-MRXNPFEDSA-N 0 0 335.451 4.289 50 0 EIAARN Cc1ccc(CNC(=O)Cc2c(C)nc3ccccc3c2C)cc1F ZINC000012486675 564058045 /nfs/dbraw/zinc/05/80/45/564058045.db2.gz LXPNALJMJWYXSS-UHFFFAOYSA-N 0 0 336.410 4.158 50 0 EIAARN CCCOC(=O)c1c(CC)c(C)sc1NC(=O)c1ccccc1 ZINC000002102033 564058317 /nfs/dbraw/zinc/05/83/17/564058317.db2.gz PETLIDDSWJEWBY-UHFFFAOYSA-N 0 0 331.437 4.438 50 0 EIAARN COc1ccc2c(C)cc(SCC(=O)N3CCCC[C@H]3C)nc2c1 ZINC000012533650 564058359 /nfs/dbraw/zinc/05/83/59/564058359.db2.gz KBKTWYFBDXTFHV-CQSZACIVSA-N 0 0 344.480 4.045 50 0 EIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1C[C@@H]1C ZINC000003237947 564058608 /nfs/dbraw/zinc/05/86/08/564058608.db2.gz QCIJAURBVFWLQS-WCQYABFASA-N 0 0 329.421 4.186 50 0 EIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccccn1 ZINC000012543591 564058750 /nfs/dbraw/zinc/05/87/50/564058750.db2.gz WRBHECUQJVZNHY-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN Cc1nn(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c(C)c1Cl ZINC000012552191 564059175 /nfs/dbraw/zinc/05/91/75/564059175.db2.gz URPFIUOZTLKYMB-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CC(C)Nc1nnc(SCCCC(=O)c2ccc(F)cc2)s1 ZINC000003383504 564059553 /nfs/dbraw/zinc/05/95/53/564059553.db2.gz YFBPNVFZFUXQEP-UHFFFAOYSA-N 0 0 339.461 4.253 50 0 EIAARN COc1cccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1 ZINC000003514774 564059879 /nfs/dbraw/zinc/05/98/79/564059879.db2.gz DMKZOYDBAZXKEC-UHFFFAOYSA-N 0 0 347.455 4.029 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(F)c3)cc2)cs1 ZINC000012615286 564060642 /nfs/dbraw/zinc/06/06/42/564060642.db2.gz JUSMTDWVYSXLCU-UHFFFAOYSA-N 0 0 340.423 4.496 50 0 EIAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1 ZINC000012618043 564060699 /nfs/dbraw/zinc/06/06/99/564060699.db2.gz GSKYYQUENKUYKQ-UHFFFAOYSA-N 0 0 328.318 4.191 50 0 EIAARN O=C(NCC[C@H]1CCOC1)c1cccc(-c2ccc3ccccc3n2)c1 ZINC000299774213 564060814 /nfs/dbraw/zinc/06/08/14/564060814.db2.gz CECPEUPWBQOVSR-INIZCTEOSA-N 0 0 346.430 4.058 50 0 EIAARN O=[S@@](Cc1cc(Cl)nc(-c2ccccc2)n1)c1ccccc1 ZINC000004060066 564061734 /nfs/dbraw/zinc/06/17/34/564061734.db2.gz YXOAJQDUIOYQCQ-JOCHJYFZSA-N 0 0 328.824 4.105 50 0 EIAARN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C(C)C)C2CCOCC2)cc1 ZINC000078182760 564061864 /nfs/dbraw/zinc/06/18/64/564061864.db2.gz YNVVKLXVRRYOMU-UXHICEINSA-N 0 0 329.484 4.330 50 0 EIAARN Cc1sc(NC(=O)CNC2(c3nccs3)CCCC2)c(C)c1C ZINC000083215384 564061988 /nfs/dbraw/zinc/06/19/88/564061988.db2.gz RDRPZSVDWRZYRP-UHFFFAOYSA-N 0 0 349.525 4.127 50 0 EIAARN Clc1ccc2oc(-c3csc(CN4CCOCC4)n3)cc2c1 ZINC000078594722 564062104 /nfs/dbraw/zinc/06/21/04/564062104.db2.gz DVMINBRQAXAZNF-UHFFFAOYSA-N 0 0 334.828 4.042 50 0 EIAARN Cc1ccc(NC(=O)OCc2ccccc2)cc1N1CCCCC1=O ZINC000005441861 564062465 /nfs/dbraw/zinc/06/24/65/564062465.db2.gz GQKAHJPYHLUVGO-UHFFFAOYSA-N 0 0 338.407 4.261 50 0 EIAARN CCCn1nc(NC(=O)c2ccco2)c2cc3ccc(C)cc3nc21 ZINC000001295115 564063037 /nfs/dbraw/zinc/06/30/37/564063037.db2.gz MCPSYXFBCBKIQC-UHFFFAOYSA-N 0 0 334.379 4.148 50 0 EIAARN COc1cccc2cc([C@@H](C)NC(=O)c3c(F)cccc3F)oc21 ZINC000025736720 564063088 /nfs/dbraw/zinc/06/30/88/564063088.db2.gz SDUBITKRYHWJOU-SNVBAGLBSA-N 0 0 331.318 4.211 50 0 EIAARN CC(C)CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000012691155 564063263 /nfs/dbraw/zinc/06/32/63/564063263.db2.gz UNCBINLMDDHFCV-UHFFFAOYSA-N 0 0 331.466 4.487 50 0 EIAARN CC1(C)Cc2nc(NC(=O)C=Cc3cccs3)sc2C(=O)C1 ZINC000004167565 564063750 /nfs/dbraw/zinc/06/37/50/564063750.db2.gz HRSZDVFSNITSBI-AATRIKPKSA-N 0 0 332.450 4.012 50 0 EIAARN CC(C)[C@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000001388492 564064300 /nfs/dbraw/zinc/06/43/00/564064300.db2.gz MVDDNTWUXRKXKA-INIZCTEOSA-N 0 0 327.815 4.343 50 0 EIAARN FC(F)(F)c1nnc2c(Sc3ccccc3)nc3ccccc3n21 ZINC000001388169 564064306 /nfs/dbraw/zinc/06/43/06/564064306.db2.gz BQHLYYOWGVWXDC-UHFFFAOYSA-N 0 0 346.337 4.448 50 0 EIAARN CN(Cn1ncsc1=S)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000012733895 564064441 /nfs/dbraw/zinc/06/44/41/564064441.db2.gz PIPBOSMLJHHXLS-MRXNPFEDSA-N 0 0 345.468 4.492 50 0 EIAARN COc1cccc2c1OCC(C(=O)Nc1cccc(Cl)c1C)=C2 ZINC000001391470 564064530 /nfs/dbraw/zinc/06/45/30/564064530.db2.gz BKSLKCBUEBUERB-UHFFFAOYSA-N 0 0 329.783 4.072 50 0 EIAARN O=C(NCc1ccc(Cl)cc1Cl)C1=Cc2ccccc2OC1 ZINC000001391518 564064535 /nfs/dbraw/zinc/06/45/35/564064535.db2.gz KIKONIRDRWBDGO-UHFFFAOYSA-N 0 0 334.202 4.086 50 0 EIAARN COc1ccc(CN2c3cc(Cl)ccc3SCCC2=O)cc1 ZINC000001392661 564064572 /nfs/dbraw/zinc/06/45/72/564064572.db2.gz WGWJVTHLXOPRGB-UHFFFAOYSA-N 0 0 333.840 4.378 50 0 EIAARN COc1cccc(-c2noc(CN3c4ccccc4CC[C@H]3C)n2)c1 ZINC000012736833 564064712 /nfs/dbraw/zinc/06/47/12/564064712.db2.gz KYSTVIBLPXVRIM-CQSZACIVSA-N 0 0 335.407 4.087 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)CCc2cccc(C)c2)cc1Cl ZINC000012738322 564064883 /nfs/dbraw/zinc/06/48/83/564064883.db2.gz QCCOUTFQXWRPLD-UHFFFAOYSA-N 0 0 330.815 4.178 50 0 EIAARN Cc1cccc(Cn2c3cc(C)c(C)cc3nc2-c2ccc[nH]c2=O)c1 ZINC000001401773 564065032 /nfs/dbraw/zinc/06/50/32/564065032.db2.gz YWTGVYDWTWIQGX-UHFFFAOYSA-N 0 0 343.430 4.365 50 0 EIAARN Cc1c([C@@H](C)OC(=O)Nc2ccc(Cl)cc2)sc2ncnn12 ZINC000001401959 564065054 /nfs/dbraw/zinc/06/50/54/564065054.db2.gz PEPOPLKSOUMEHJ-SECBINFHSA-N 0 0 336.804 4.062 50 0 EIAARN CN(C)c1nc(SCc2ccc(Cl)cc2)nc2c1CCCC2 ZINC000001403600 564065085 /nfs/dbraw/zinc/06/50/85/564065085.db2.gz FXWZXAMYPOULGR-UHFFFAOYSA-N 0 0 333.888 4.367 50 0 EIAARN COc1cccc(-n2ccnc2SCc2nc3ccccc3[nH]2)c1 ZINC000083975793 564065349 /nfs/dbraw/zinc/06/53/49/564065349.db2.gz RSOAPBWQWIQRCR-UHFFFAOYSA-N 0 0 336.420 4.050 50 0 EIAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000084012035 564065805 /nfs/dbraw/zinc/06/58/05/564065805.db2.gz OYGJRCNQQSRESX-ZDUSSCGKSA-N 0 0 345.446 4.099 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000012748830 564066074 /nfs/dbraw/zinc/06/60/74/564066074.db2.gz XQSPULRDPXUHKQ-HNNXBMFYSA-N 0 0 345.826 4.459 50 0 EIAARN CC1(C)Cc2cc3c(cc2C(SCc2ccccc2)=N1)OCCO3 ZINC000001421756 564066658 /nfs/dbraw/zinc/06/66/58/564066658.db2.gz NGMSSYNFHBEZEI-UHFFFAOYSA-N 0 0 339.460 4.473 50 0 EIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001425201 564066746 /nfs/dbraw/zinc/06/67/46/564066746.db2.gz OIXNLUWRQCBQAK-UHFFFAOYSA-N 0 0 325.433 4.051 50 0 EIAARN CC(C)c1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1 ZINC000001427561 564066888 /nfs/dbraw/zinc/06/68/88/564066888.db2.gz NXZGNJOPTAPING-INIZCTEOSA-N 0 0 334.371 4.357 50 0 EIAARN C[C@H](NC(=O)c1ccccc1[S@@](C)=O)c1ccc2ccccc2c1 ZINC000012752360 564067126 /nfs/dbraw/zinc/06/71/26/564067126.db2.gz IHKDEQYLJHEGPM-BSEYFRJRSA-N 0 0 337.444 4.068 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)cc3C)o2)cs1 ZINC000012754143 564067185 /nfs/dbraw/zinc/06/71/85/564067185.db2.gz ALGLKFWYNXHKQY-UHFFFAOYSA-N 0 0 326.421 4.258 50 0 EIAARN CCNC(=O)c1cccnc1Sc1cccc(C(F)(F)F)c1 ZINC000012755858 564067202 /nfs/dbraw/zinc/06/72/02/564067202.db2.gz IDXKJPLTWOOMFK-UHFFFAOYSA-N 0 0 326.343 4.001 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccnn2Cc2ccc(C)o2)C1(C)C ZINC000084195450 564067360 /nfs/dbraw/zinc/06/73/60/564067360.db2.gz LWDANIZZCLRXGS-DOTOQJQBSA-N 0 0 327.428 4.010 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccnn2Cc2ccc(C)o2)C1(C)C ZINC000084195454 564067375 /nfs/dbraw/zinc/06/73/75/564067375.db2.gz LWDANIZZCLRXGS-NVXWUHKLSA-N 0 0 327.428 4.010 50 0 EIAARN Cc1ccc2oc(C(=O)N(C[C@@H]3CCOC3)c3ccccc3)cc2c1 ZINC000084208288 564067406 /nfs/dbraw/zinc/06/74/06/564067406.db2.gz FMJPCIRQHRJMNO-INIZCTEOSA-N 0 0 335.403 4.425 50 0 EIAARN CC(C)Oc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccccc2F)cc1 ZINC000073924081 564067479 /nfs/dbraw/zinc/06/74/79/564067479.db2.gz WXZZWUPCXLOSMK-MOPGFXCFSA-N 0 0 341.426 4.075 50 0 EIAARN COc1ccc(Br)cc1SCCCn1ccnc1C ZINC000084290908 564067647 /nfs/dbraw/zinc/06/76/47/564067647.db2.gz BAUMHBWPYNEMFI-UHFFFAOYSA-N 0 0 341.274 4.145 50 0 EIAARN Cc1nc(CNc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cs1 ZINC000084274823 564067671 /nfs/dbraw/zinc/06/76/71/564067671.db2.gz ZFEIVKJYHOAVLC-UHFFFAOYSA-N 0 0 345.468 4.361 50 0 EIAARN O=C(c1cccn1Cc1cccs1)N1CC[C@H](c2ccccc2)C1 ZINC000084525534 564068475 /nfs/dbraw/zinc/06/84/75/564068475.db2.gz DJCTUMCWEBVUOU-KRWDZBQOSA-N 0 0 336.460 4.228 50 0 EIAARN O[C@@H](CSCc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000084522564 564068546 /nfs/dbraw/zinc/06/85/46/564068546.db2.gz CTYMKXMWTMSEIZ-HNNXBMFYSA-N 0 0 346.839 4.357 50 0 EIAARN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000084539071 564068614 /nfs/dbraw/zinc/06/86/14/564068614.db2.gz VRJPRDBFOAOUIU-QFIPXVFZSA-N 0 0 342.442 4.107 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)N[C@@H]1CCc2ccccc21 ZINC000084581887 564068817 /nfs/dbraw/zinc/06/88/17/564068817.db2.gz DZSFVZVQMUEXNM-GOSISDBHSA-N 0 0 346.390 4.078 50 0 EIAARN O=C(Nc1ccc2ccccc2n1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000084598148 564068923 /nfs/dbraw/zinc/06/89/23/564068923.db2.gz TYXLNWVYHUAGBK-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN O=C(CCc1ccsc1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000012774774 564069219 /nfs/dbraw/zinc/06/92/19/564069219.db2.gz MDKYUDDEKJVSFX-UHFFFAOYSA-N 0 0 337.828 4.134 50 0 EIAARN CC(=O)Nc1c(C)cc(NC(=O)CCO[C@@H](C)CC(C)C)cc1C ZINC000087374982 564069494 /nfs/dbraw/zinc/06/94/94/564069494.db2.gz OAHVLFFLOAAKSQ-HNNXBMFYSA-N 0 0 334.460 4.042 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(NC(C)=O)c(F)cc2F)C1(C)C ZINC000084671084 564069554 /nfs/dbraw/zinc/06/95/54/564069554.db2.gz GQNVUUGNERCHBU-ZBEGNZNMSA-N 0 0 336.382 4.100 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C1(C)C ZINC000084671158 564069580 /nfs/dbraw/zinc/06/95/80/564069580.db2.gz IAHRTAWQLDSBGB-SMDDNHRTSA-N 0 0 346.496 4.475 50 0 EIAARN CC[C@@](C)(NCc1nnc(-c2ccc(F)cc2)o1)c1nc(C)cs1 ZINC000084721226 564069793 /nfs/dbraw/zinc/06/97/93/564069793.db2.gz JEVRHLSIHZWEKA-QGZVFWFLSA-N 0 0 346.431 4.056 50 0 EIAARN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCCC3)cc12 ZINC000012781564 564070003 /nfs/dbraw/zinc/07/00/03/564070003.db2.gz JBDHKYOKJYNEFW-UHFFFAOYSA-N 0 0 345.855 4.285 50 0 EIAARN CCCc1cc(N[C@@H](C)c2oc3ccccc3c2C)n2ncnc2n1 ZINC000084758979 564070099 /nfs/dbraw/zinc/07/00/99/564070099.db2.gz LSWSGLZLSCDZLS-ZDUSSCGKSA-N 0 0 335.411 4.305 50 0 EIAARN Cc1ccc(Sc2ncccc2C(=O)NCc2ccco2)cc1C ZINC000012783418 564070154 /nfs/dbraw/zinc/07/01/54/564070154.db2.gz CHGGYEFRPAJTMF-UHFFFAOYSA-N 0 0 338.432 4.373 50 0 EIAARN CCS[C@@H]1CCC[C@@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 ZINC000084811955 564070373 /nfs/dbraw/zinc/07/03/73/564070373.db2.gz NYFAUAKPMYCECJ-HUUCEWRRSA-N 0 0 338.521 4.267 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)N(C)c3cc(C)ccc3C)c1CO2 ZINC000015677650 564070609 /nfs/dbraw/zinc/07/06/09/564070609.db2.gz ZHTZVLLWWHMEON-UHFFFAOYSA-N 0 0 348.402 4.436 50 0 EIAARN CCc1ccccc1N(C)C(=O)c1noc2c1COc1ccc(C)cc1-2 ZINC000015677634 564070643 /nfs/dbraw/zinc/07/06/43/564070643.db2.gz SVWHAQCGJCSOQY-UHFFFAOYSA-N 0 0 348.402 4.381 50 0 EIAARN CSc1cccc(C)c1NC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000184941731 564070751 /nfs/dbraw/zinc/07/07/51/564070751.db2.gz ACEABCCFDHHNKS-HNNXBMFYSA-N 0 0 344.484 4.091 50 0 EIAARN COc1ccc(COC(=O)Nc2ccc(Br)cc2)cc1 ZINC000000401727 564075983 /nfs/dbraw/zinc/07/59/83/564075983.db2.gz WYKDJXKZRORXPZ-UHFFFAOYSA-N 0 0 336.185 4.206 50 0 EIAARN CC(C)(C)C(=O)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304758 564072274 /nfs/dbraw/zinc/07/22/74/564072274.db2.gz UMKTTZCCSYMSGT-UHFFFAOYSA-N 0 0 325.437 4.271 50 0 EIAARN CSc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000004303509 564072311 /nfs/dbraw/zinc/07/23/11/564072311.db2.gz GNVSJTJCDSATAT-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN Cc1ccccc1CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000004306967 564072344 /nfs/dbraw/zinc/07/23/44/564072344.db2.gz NTLFFGQOXQQZTK-QFIPXVFZSA-N 0 0 344.414 4.115 50 0 EIAARN Cc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c(C)c1 ZINC000012809595 564072563 /nfs/dbraw/zinc/07/25/63/564072563.db2.gz GQCWTHRHXKGFLB-UHFFFAOYSA-N 0 0 337.463 4.494 50 0 EIAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccs2)cc1 ZINC000012812861 564072899 /nfs/dbraw/zinc/07/28/99/564072899.db2.gz MVMMMMACRCLBGB-UHFFFAOYSA-N 0 0 332.425 4.025 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)NC2CCCC2)cc1OCC ZINC000012818012 564073188 /nfs/dbraw/zinc/07/31/88/564073188.db2.gz TZOOHKDBRMZDFB-UHFFFAOYSA-N 0 0 325.836 4.200 50 0 EIAARN C[C@H](CNC(=O)CSc1nc2ccccc2s1)c1ccccc1 ZINC000006061261 564073320 /nfs/dbraw/zinc/07/33/20/564073320.db2.gz KKQFKOSROORICK-CYBMUJFWSA-N 0 0 342.489 4.308 50 0 EIAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)c1ccsc1 ZINC000085470997 564073405 /nfs/dbraw/zinc/07/34/05/564073405.db2.gz CYSZPDBOEIDFMF-UHFFFAOYSA-N 0 0 332.425 4.249 50 0 EIAARN O=C(Cc1cccs1)N1CCC(CSCc2ccco2)CC1 ZINC000085472439 564073444 /nfs/dbraw/zinc/07/34/44/564073444.db2.gz JGFXJUHJMHVQCK-UHFFFAOYSA-N 0 0 335.494 4.056 50 0 EIAARN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)c1cnccn1 ZINC000063612829 564073456 /nfs/dbraw/zinc/07/34/56/564073456.db2.gz YOCYLGZZEGHIKM-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN CCc1ccc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000006078660 564073577 /nfs/dbraw/zinc/07/35/77/564073577.db2.gz XOINOOMKBMTKKV-UHFFFAOYSA-N 0 0 336.309 4.308 50 0 EIAARN Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c2c1CCCC2 ZINC000001472265 564073625 /nfs/dbraw/zinc/07/36/25/564073625.db2.gz OMLDYFIWGCWVSF-UHFFFAOYSA-N 0 0 337.448 4.318 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCc2ccccc2C1 ZINC000006084852 564073665 /nfs/dbraw/zinc/07/36/65/564073665.db2.gz BERSTKLDRUWUOL-LBPRGKRZSA-N 0 0 349.261 4.379 50 0 EIAARN Cc1ccc([C@H](CC(=O)NCCc2ccccc2)n2cccc2)cc1 ZINC000015771163 564073717 /nfs/dbraw/zinc/07/37/17/564073717.db2.gz PMTCOYVMZAHNDC-NRFANRHFSA-N 0 0 332.447 4.135 50 0 EIAARN O=C(CCc1ccccc1)N1CCC(CSc2ccccn2)CC1 ZINC000085557519 564073933 /nfs/dbraw/zinc/07/39/33/564073933.db2.gz RKGOTPZWTRYAGC-UHFFFAOYSA-N 0 0 340.492 4.045 50 0 EIAARN O=S(=O)(Cc1ccc(Cl)cc1)Cc1ccc(C(F)F)cc1 ZINC000185490581 564074122 /nfs/dbraw/zinc/07/41/22/564074122.db2.gz ROEDATMHKPFMSG-UHFFFAOYSA-N 0 0 330.783 4.393 50 0 EIAARN COc1ccc(-c2ocnc2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000015782170 564074133 /nfs/dbraw/zinc/07/41/33/564074133.db2.gz XBEQUEYJIIRTTM-UHFFFAOYSA-N 0 0 326.327 4.050 50 0 EIAARN O=C(CCNc1ccc(C(=O)c2ccncc2)cc1)c1cccs1 ZINC000017070401 564074417 /nfs/dbraw/zinc/07/44/17/564074417.db2.gz AEUKMMSJZIWMLA-UHFFFAOYSA-N 0 0 336.416 4.059 50 0 EIAARN O=C(COc1c(F)c(F)cc(F)c1F)C12CC3CC(CC(C3)C1)C2 ZINC000006119759 564074425 /nfs/dbraw/zinc/07/44/25/564074425.db2.gz NEOGFEWINCUHBD-UHFFFAOYSA-N 0 0 342.332 4.407 50 0 EIAARN Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000053279256 564074809 /nfs/dbraw/zinc/07/48/09/564074809.db2.gz ZXLHPWGAAUYTFH-HNNXBMFYSA-N 0 0 325.437 4.042 50 0 EIAARN COC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCCC2 ZINC000006126351 564075215 /nfs/dbraw/zinc/07/52/15/564075215.db2.gz WVLUJDNEXMWUBD-UHFFFAOYSA-N 0 0 335.469 4.322 50 0 EIAARN COc1ccc(NC(=O)c2ccc(Cl)s2)cc1OC(F)F ZINC000012850024 564075292 /nfs/dbraw/zinc/07/52/92/564075292.db2.gz LAXMPXWIJGSKDT-UHFFFAOYSA-N 0 0 333.743 4.264 50 0 EIAARN Cc1ccc(C)c(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c1 ZINC000012859774 564075685 /nfs/dbraw/zinc/07/56/85/564075685.db2.gz KEZOBHFBNKNSQF-CYBMUJFWSA-N 0 0 341.382 4.150 50 0 EIAARN Cc1cc(NC(=O)c2cccnc2Sc2cc(C)ccc2C)no1 ZINC000012859362 564075686 /nfs/dbraw/zinc/07/56/86/564075686.db2.gz YLOLQLFPBDYGTL-UHFFFAOYSA-N 0 0 339.420 4.398 50 0 EIAARN CSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 ZINC000001518627 564075824 /nfs/dbraw/zinc/07/58/24/564075824.db2.gz NBHPYSJJLKYJCK-UHFFFAOYSA-N 0 0 330.434 4.036 50 0 EIAARN Cc1ccc(NCC(=O)N2CCSc3ccccc32)c(Cl)c1 ZINC000012864892 564075840 /nfs/dbraw/zinc/07/58/40/564075840.db2.gz DSAGXZMHFIMDJD-UHFFFAOYSA-N 0 0 332.856 4.199 50 0 EIAARN O=C(Nc1cc(C(=O)NC2CCCC2)ccc1Cl)c1cccs1 ZINC000012866997 564075860 /nfs/dbraw/zinc/07/58/60/564075860.db2.gz CYSCPWRWEGIGGX-UHFFFAOYSA-N 0 0 348.855 4.326 50 0 EIAARN O=C(c1ccccc1)c1ccccc1-c1nc2ccccc2c(=O)o1 ZINC000000395176 564075902 /nfs/dbraw/zinc/07/59/02/564075902.db2.gz DCUBTFGDURWEFR-UHFFFAOYSA-N 0 0 327.339 4.086 50 0 EIAARN O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000001688918 564076058 /nfs/dbraw/zinc/07/60/58/564076058.db2.gz GVMHORIVFUXONX-UHFFFAOYSA-N 0 0 337.611 4.415 50 0 EIAARN CC[C@H](C)CCCOC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000043198773 564076180 /nfs/dbraw/zinc/07/61/80/564076180.db2.gz CVDVLBUUDPPNJU-XJKSGUPXSA-N 0 0 332.362 4.460 50 0 EIAARN O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)N1Cc1ccccc1 ZINC000059615717 564076182 /nfs/dbraw/zinc/07/61/82/564076182.db2.gz LSWFEKFANVJTSQ-SFTDATJTSA-N 0 0 341.410 4.005 50 0 EIAARN C[C@@H]1CSc2ccccc2N1C(=O)c1cc(COC(C)(C)C)on1 ZINC000186273039 564076863 /nfs/dbraw/zinc/07/68/63/564076863.db2.gz ZBJKPFBEGSWCPV-GFCCVEGCSA-N 0 0 346.452 4.131 50 0 EIAARN C[C@H]1CSc2ccccc2N1C(=O)c1cc(COC(C)(C)C)on1 ZINC000186273059 564076877 /nfs/dbraw/zinc/07/68/77/564076877.db2.gz ZBJKPFBEGSWCPV-LBPRGKRZSA-N 0 0 346.452 4.131 50 0 EIAARN CCCc1nc2ccccc2n1C[C@@H](O)COc1cccc(C)c1C ZINC000015860736 564076918 /nfs/dbraw/zinc/07/69/18/564076918.db2.gz LMQUGBQXHWCCEY-QGZVFWFLSA-N 0 0 338.451 4.046 50 0 EIAARN C[C@@H]1CN(C(=O)c2cc(COC(C)(C)C)on2)c2ccccc2S1 ZINC000186356359 564077341 /nfs/dbraw/zinc/07/73/41/564077341.db2.gz UXBNOBZJGJESFG-GFCCVEGCSA-N 0 0 346.452 4.131 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1Cl ZINC000012905558 564077840 /nfs/dbraw/zinc/07/78/40/564077840.db2.gz MFFZYJHUTZUGKO-UHFFFAOYSA-N 0 0 340.810 4.244 50 0 EIAARN C[C@@H]1CC[C@@H](CCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)O1 ZINC000074720144 564079027 /nfs/dbraw/zinc/07/90/27/564079027.db2.gz PPIBSAVCEJRTAV-BEFAXECRSA-N 0 0 342.414 4.102 50 0 EIAARN O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccco1 ZINC000016020763 564079130 /nfs/dbraw/zinc/07/91/30/564079130.db2.gz WPXKQAJPUXBJHM-UHFFFAOYSA-N 0 0 337.444 4.419 50 0 EIAARN O=C1c2ccc(Br)cc2-c2cc(Br)ccc21 ZINC000001556208 564079387 /nfs/dbraw/zinc/07/93/87/564079387.db2.gz XXZOHYHKWDLSFS-UHFFFAOYSA-N 0 0 337.998 4.423 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 ZINC000012939847 564079445 /nfs/dbraw/zinc/07/94/45/564079445.db2.gz MFROBZKPOKCDOE-KRWDZBQOSA-N 0 0 325.408 4.114 50 0 EIAARN CN(c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000016089127 564079645 /nfs/dbraw/zinc/07/96/45/564079645.db2.gz DVXHWXLWSVSSKU-UHFFFAOYSA-N 0 0 349.761 4.184 50 0 EIAARN COc1ccccc1[C@@H](NC(=O)N(C)Cc1ccncc1)C(C)(C)C ZINC000088783531 564079885 /nfs/dbraw/zinc/07/98/85/564079885.db2.gz NDCZUQQWFUNWMX-GOSISDBHSA-N 0 0 341.455 4.019 50 0 EIAARN Cc1cccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1O ZINC000075093996 564079937 /nfs/dbraw/zinc/07/99/37/564079937.db2.gz XVRXHWVYCYKVQF-UHFFFAOYSA-N 0 0 342.395 4.300 50 0 EIAARN CN(Cc1nc(-c2ccco2)no1)Cc1ccc(Cl)c(Cl)c1 ZINC000012953237 564080329 /nfs/dbraw/zinc/08/03/29/564080329.db2.gz DZHXFTHRWLGKFA-UHFFFAOYSA-N 0 0 338.194 4.268 50 0 EIAARN CC(=O)Nc1cc(NC(=O)Nc2cc(C)cc(C)c2)c(F)cc1F ZINC000075138325 564080565 /nfs/dbraw/zinc/08/05/65/564080565.db2.gz XUPSKSKOCKCGMP-UHFFFAOYSA-N 0 0 333.338 4.184 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccnn1C1CCCCC1 ZINC000075143824 564080654 /nfs/dbraw/zinc/08/06/54/564080654.db2.gz XUVOUXGZGGFNCQ-QGZVFWFLSA-N 0 0 341.459 4.398 50 0 EIAARN C[C@@]1(OC(=O)c2ccccc2)CCCC[C@@H]1OC(=O)c1ccccc1 ZINC000075245312 564081123 /nfs/dbraw/zinc/08/11/23/564081123.db2.gz RCXVTIDYKZNKOZ-GHTZIAJQSA-N 0 0 338.403 4.402 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000075278511 564081371 /nfs/dbraw/zinc/08/13/71/564081371.db2.gz BVJCMSDXSLDTQF-GOSISDBHSA-N 0 0 328.843 4.424 50 0 EIAARN Cc1ccc(NCn2c3ccc(Br)cc3oc2=O)c(C)c1 ZINC000075280056 564081479 /nfs/dbraw/zinc/08/14/79/564081479.db2.gz QTZPZQCPRQORGF-UHFFFAOYSA-N 0 0 347.212 4.043 50 0 EIAARN O=c1[nH]c(C2CC2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 ZINC000063837413 564081643 /nfs/dbraw/zinc/08/16/43/564081643.db2.gz XTVAZRRICARVJF-UHFFFAOYSA-N 0 0 330.309 4.486 50 0 EIAARN O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000035319065 564081916 /nfs/dbraw/zinc/08/19/16/564081916.db2.gz OAFOOXBWOCVLRR-GOSISDBHSA-N 0 0 347.418 4.033 50 0 EIAARN O=S(=O)(/C=C/c1ccccc1)NCc1ccc(-c2cccs2)o1 ZINC000575609134 564082487 /nfs/dbraw/zinc/08/24/87/564082487.db2.gz PDFYSCYAFRHSMO-ZRDIBKRKSA-N 0 0 345.445 4.098 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2ncccc21 ZINC000006232754 564083129 /nfs/dbraw/zinc/08/31/29/564083129.db2.gz GZBMLYZJRDEMPK-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN C[C@H](Cc1csc2ccccc12)NC(=O)NCc1ccc(F)cc1 ZINC000575619986 564083829 /nfs/dbraw/zinc/08/38/29/564083829.db2.gz HHYQYVJJONHPHW-CYBMUJFWSA-N 0 0 342.439 4.471 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)Cc1csc2ccccc12 ZINC000575620768 564083879 /nfs/dbraw/zinc/08/38/79/564083879.db2.gz LZOYOSMABYTEKZ-LSDHHAIUSA-N 0 0 339.460 4.416 50 0 EIAARN CC(=O)c1cnc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000118683969 564084341 /nfs/dbraw/zinc/08/43/41/564084341.db2.gz OZLQHUMRLREFDG-UHFFFAOYSA-N 0 0 348.855 4.450 50 0 EIAARN CN(C)c1cccc(C(=O)N(Cc2ccoc2)Cc2cccs2)c1 ZINC000090612110 564085055 /nfs/dbraw/zinc/08/50/55/564085055.db2.gz WWGNGXMDEJNBSZ-UHFFFAOYSA-N 0 0 340.448 4.250 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCc2ccccc21 ZINC000006328155 564085077 /nfs/dbraw/zinc/08/50/77/564085077.db2.gz URRBDCYUYVQWLD-NSHDSACASA-N 0 0 335.234 4.383 50 0 EIAARN Cc1ccc(C)c(OCCC(=O)Nc2ccccc2Br)c1 ZINC000006338560 564085231 /nfs/dbraw/zinc/08/52/31/564085231.db2.gz OCSAOKSJWCVACY-UHFFFAOYSA-N 0 0 348.240 4.474 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1cccc(Br)c1 ZINC000006338920 564085236 /nfs/dbraw/zinc/08/52/36/564085236.db2.gz YOMSNTMOUXVIGS-UHFFFAOYSA-N 0 0 342.595 4.423 50 0 EIAARN Cc1ccccc1CC(=O)Nc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000035552301 564085251 /nfs/dbraw/zinc/08/52/51/564085251.db2.gz PRZSENPSKDMHIK-UHFFFAOYSA-N 0 0 347.418 4.494 50 0 EIAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3ccco3)c2c1 ZINC000006401256 564085568 /nfs/dbraw/zinc/08/55/68/564085568.db2.gz CPZHFLIXOOOYSI-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN Cc1ccc(CN2C(=S)N=NC2Cc2c(F)cccc2Cl)cc1 ZINC000006413444 564085612 /nfs/dbraw/zinc/08/56/12/564085612.db2.gz AIZNVWNZXCDAFZ-UHFFFAOYSA-N 0 0 347.846 4.307 50 0 EIAARN CC(C)c1cccc(CSc2nnc(NCC(F)(F)F)s2)n1 ZINC000123111989 564085692 /nfs/dbraw/zinc/08/56/92/564085692.db2.gz AYBQDDJNPRMCEB-UHFFFAOYSA-N 0 0 348.419 4.323 50 0 EIAARN Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)S[C@H]2C)cc1 ZINC000006426655 564086180 /nfs/dbraw/zinc/08/61/80/564086180.db2.gz HNBUSDDXTZIIGH-ZDUSSCGKSA-N 0 0 326.469 4.381 50 0 EIAARN COc1ccc(F)c(NC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000088211160 564086280 /nfs/dbraw/zinc/08/62/80/564086280.db2.gz KBODODBFPRANAD-UHFFFAOYSA-N 0 0 329.302 4.486 50 0 EIAARN CSc1ncc(C(=O)Nc2ccccc2F)c(-c2ccccc2)n1 ZINC000006938128 564086831 /nfs/dbraw/zinc/08/68/31/564086831.db2.gz GOJDBIJYIYIFJN-UHFFFAOYSA-N 0 0 339.395 4.257 50 0 EIAARN CC(C)c1nc(CNC(=O)c2ccc(F)cc2C(F)(F)F)cs1 ZINC000123786353 564086921 /nfs/dbraw/zinc/08/69/21/564086921.db2.gz PZCKWQICHWAUMM-UHFFFAOYSA-N 0 0 346.349 4.354 50 0 EIAARN Cc1nc(S[C@@H](C)c2nc(C3CC3)no2)[nH]c1Cc1ccccc1 ZINC000053269132 564087407 /nfs/dbraw/zinc/08/74/07/564087407.db2.gz HWGJGPFKNKAWJE-LBPRGKRZSA-N 0 0 340.452 4.423 50 0 EIAARN CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccn1 ZINC000000352156 564087746 /nfs/dbraw/zinc/08/77/46/564087746.db2.gz CIOMFRFRNUBKIG-UHFFFAOYSA-N 0 0 348.834 4.445 50 0 EIAARN C[C@@H]1CC[C@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)C[C@@H]1C ZINC000134832688 564087866 /nfs/dbraw/zinc/08/78/66/564087866.db2.gz CUIDCZRJSDFRHC-JENQJIHHSA-N 0 0 349.540 4.351 50 0 EIAARN CN(CCc1ccccn1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000060620810 564087934 /nfs/dbraw/zinc/08/79/34/564087934.db2.gz OOTSMZBVUHVTIH-UHFFFAOYSA-N 0 0 344.414 4.020 50 0 EIAARN C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[C@H]1c1ccsc1 ZINC000241133000 564088296 /nfs/dbraw/zinc/08/82/96/564088296.db2.gz JNXFHXBIGYBAHO-WFASDCNBSA-N 0 0 326.425 4.091 50 0 EIAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000241371254 564088336 /nfs/dbraw/zinc/08/83/36/564088336.db2.gz MLRXYOFCYPMGIW-KSZLIROESA-N 0 0 341.838 4.426 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)no1 ZINC000241470688 564088368 /nfs/dbraw/zinc/08/83/68/564088368.db2.gz NXALZTGYIYYABN-ZOBUZTSGSA-N 0 0 330.815 4.104 50 0 EIAARN Cc1ccnc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000001846243 564088855 /nfs/dbraw/zinc/08/88/55/564088855.db2.gz ASFKKFRSMGBFRO-MRXNPFEDSA-N 0 0 344.414 4.363 50 0 in-man EIAARN CCCCCc1nc2sc3c(c2c(=O)n1N)CC[C@@H](C(C)(C)C)C3 ZINC000001857038 564088927 /nfs/dbraw/zinc/08/89/27/564088927.db2.gz PQSXPSNBASJQMK-GFCCVEGCSA-N 0 0 347.528 4.056 50 0 EIAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)c1 ZINC000006462829 564089323 /nfs/dbraw/zinc/08/93/23/564089323.db2.gz KCGNANOZSUIYDZ-LLVKDONJSA-N 0 0 345.449 4.226 50 0 EIAARN CCOC(=O)N1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000075566960 564089576 /nfs/dbraw/zinc/08/95/76/564089576.db2.gz AECBHUJBBDTGRI-UHFFFAOYSA-N 0 0 334.419 4.204 50 0 EIAARN CN(Cc1ccncc1)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000089363776 564089789 /nfs/dbraw/zinc/08/97/89/564089789.db2.gz ZSIGLTJSEPQBPE-UHFFFAOYSA-N 0 0 338.455 4.124 50 0 EIAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2)cc1 ZINC000001922271 564090255 /nfs/dbraw/zinc/09/02/55/564090255.db2.gz SVWKPBOKCYTWOC-GFCCVEGCSA-N 0 0 331.799 4.086 50 0 EIAARN COC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000001935759 564090283 /nfs/dbraw/zinc/09/02/83/564090283.db2.gz CYKGLGGVZYDGMG-LLVKDONJSA-N 0 0 344.461 4.320 50 0 EIAARN CSC[C@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000089493478 564090808 /nfs/dbraw/zinc/09/08/08/564090808.db2.gz UDYTYAMQBWJWDP-JTQLQIEISA-N 0 0 332.441 4.218 50 0 EIAARN COc1cc(-c2nnc([C@@H]3CCCCO3)o2)ccc1OCCC(C)C ZINC000521393832 564090877 /nfs/dbraw/zinc/09/08/77/564090877.db2.gz BEJZJMPKOUANDJ-INIZCTEOSA-N 0 0 346.427 4.412 50 0 EIAARN Cn1c2ccccc2nc1-c1cccc(NC(=O)COC2CCCC2)c1 ZINC000054235825 564090939 /nfs/dbraw/zinc/09/09/39/564090939.db2.gz WFXGKIVQKKLXGU-UHFFFAOYSA-N 0 0 349.434 4.138 50 0 EIAARN Cc1ccc([C@@H]2C[C@H]2C2N=NC(=S)N2c2ccc(F)cc2)cc1 ZINC000006533833 564091702 /nfs/dbraw/zinc/09/17/02/564091702.db2.gz VUDWBEWIOGNWKC-JKSUJKDBSA-N 0 0 325.412 4.275 50 0 EIAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1Cl ZINC000006539871 564091845 /nfs/dbraw/zinc/09/18/45/564091845.db2.gz ANVULAAXCSIIIR-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cn1 ZINC000006560052 564092067 /nfs/dbraw/zinc/09/20/67/564092067.db2.gz ZEDKWTCJFSIFOD-UHFFFAOYSA-N 0 0 346.761 4.485 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1cc(Br)ccc1F ZINC000007971421 564092111 /nfs/dbraw/zinc/09/21/11/564092111.db2.gz WEZSUKFTWJCFMD-UHFFFAOYSA-N 0 0 338.176 4.158 50 0 EIAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc2ccccc2n1 ZINC000006583416 564092309 /nfs/dbraw/zinc/09/23/09/564092309.db2.gz TUSHPFYWRIYJJN-UHFFFAOYSA-N 0 0 331.419 4.477 50 0 EIAARN COc1ccc(C(=O)Sc2nccn2-c2ccc(Cl)cc2)cc1 ZINC000006588629 564092382 /nfs/dbraw/zinc/09/23/82/564092382.db2.gz ZEYWADPDZKWCIR-UHFFFAOYSA-N 0 0 344.823 4.467 50 0 EIAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000006590057 564092406 /nfs/dbraw/zinc/09/24/06/564092406.db2.gz RSTARVCDDQJIDX-UHFFFAOYSA-N 0 0 332.444 4.486 50 0 EIAARN Cc1ccccc1-c1csc(NC(=O)c2cnn(C)c2C(F)F)n1 ZINC000066305241 564092568 /nfs/dbraw/zinc/09/25/68/564092568.db2.gz CBKKZUDCVXAGFM-UHFFFAOYSA-N 0 0 348.378 4.042 50 0 EIAARN COc1ccccc1OCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006600177 564092640 /nfs/dbraw/zinc/09/26/40/564092640.db2.gz AMROHJHKRIXCFB-UHFFFAOYSA-N 0 0 339.313 4.122 50 0 EIAARN O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(OC(F)F)cc1 ZINC000007972626 564092652 /nfs/dbraw/zinc/09/26/52/564092652.db2.gz DEDBFFDBZXWKBW-UHFFFAOYSA-N 0 0 344.720 4.131 50 0 EIAARN Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000007972602 564092668 /nfs/dbraw/zinc/09/26/68/564092668.db2.gz XOMKQTFPJJJKDV-UHFFFAOYSA-N 0 0 327.186 4.492 50 0 EIAARN COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(Cl)nc1C ZINC000089536931 564092745 /nfs/dbraw/zinc/09/27/45/564092745.db2.gz FBCKBEOLROEBNT-LBPRGKRZSA-N 0 0 333.815 4.289 50 0 EIAARN COc1ccc(-c2nnc(SCc3nc(C)c(C)s3)o2)cc1 ZINC000089559529 564092871 /nfs/dbraw/zinc/09/28/71/564092871.db2.gz NNWAZFZKRUVCMB-UHFFFAOYSA-N 0 0 333.438 4.111 50 0 EIAARN O=C(NCCc1ccc(F)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000006607305 564093135 /nfs/dbraw/zinc/09/31/35/564093135.db2.gz QWCOARYRHHYQJM-UHFFFAOYSA-N 0 0 347.389 4.029 50 0 EIAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cnc3c(c2)CCCC3)no1 ZINC000426530574 564094035 /nfs/dbraw/zinc/09/40/35/564094035.db2.gz UURRZAPTLLOJPL-GOSISDBHSA-N 0 0 339.439 4.049 50 0 EIAARN CCCc1cc(CN(C)C(=O)c2ccc(-c3ccnc(C)c3)cc2)[nH]n1 ZINC000426707188 564094405 /nfs/dbraw/zinc/09/44/05/564094405.db2.gz KVIRKGZFWGELMI-UHFFFAOYSA-N 0 0 348.450 4.005 50 0 EIAARN c1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1 ZINC000006616071 564094523 /nfs/dbraw/zinc/09/45/23/564094523.db2.gz XKKLXEQKRVDNPH-UHFFFAOYSA-N 0 0 325.460 4.450 50 0 EIAARN CC[C@@H](C)NC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000064657496 564094770 /nfs/dbraw/zinc/09/47/70/564094770.db2.gz UUJNRILWIKRKSR-GFCCVEGCSA-N 0 0 330.428 4.424 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000036021230 564094826 /nfs/dbraw/zinc/09/48/26/564094826.db2.gz WGYHVQYXJNPQAA-GVNFVFRUSA-N 0 0 332.484 4.099 50 0 biogenic EIAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1 ZINC000064667298 564094966 /nfs/dbraw/zinc/09/49/66/564094966.db2.gz RJSNAQWEADVNJD-MRXNPFEDSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1ccc(C)c(-c2cn3ccn(-c4cccc(Cl)c4)c(=O)c3n2)c1 ZINC000064675367 564095114 /nfs/dbraw/zinc/09/51/14/564095114.db2.gz LJKMLXFTVOTSIP-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN Cc1ccc(-c2nc(C(=O)NCc3ccccc3C)cs2)s1 ZINC000064676534 564095205 /nfs/dbraw/zinc/09/52/05/564095205.db2.gz UMKBQCMGDGVZNY-UHFFFAOYSA-N 0 0 328.462 4.418 50 0 EIAARN CC(C)CCNc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1 ZINC000064676881 564095252 /nfs/dbraw/zinc/09/52/52/564095252.db2.gz JEYUUIYIQTUABM-UHFFFAOYSA-N 0 0 326.375 4.396 50 0 EIAARN CCCCN(C)c1ccc(-c2nc(-c3cccc(F)c3)no2)cn1 ZINC000064676903 564095259 /nfs/dbraw/zinc/09/52/59/564095259.db2.gz HVDPGILPHXVWJS-UHFFFAOYSA-N 0 0 326.375 4.174 50 0 EIAARN O=C(c1ccccc1F)N1CCC(CCOc2ccccc2)CC1 ZINC000064678033 564095316 /nfs/dbraw/zinc/09/53/16/564095316.db2.gz NQFZOQNJHTZFGZ-UHFFFAOYSA-N 0 0 327.399 4.147 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)CCSc1ccc(F)cc1 ZINC000006652454 564095435 /nfs/dbraw/zinc/09/54/35/564095435.db2.gz FWORWUPFGNCVAJ-CYBMUJFWSA-N 0 0 333.428 4.194 50 0 EIAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1CCCC1 ZINC000006653488 564095447 /nfs/dbraw/zinc/09/54/47/564095447.db2.gz QCEDVNUFHPHJCX-IBGZPJMESA-N 0 0 333.435 4.153 50 0 EIAARN O=C(c1cnc2ccccc2n1)N(Cc1ccco1)Cc1cccs1 ZINC000006651391 564095482 /nfs/dbraw/zinc/09/54/82/564095482.db2.gz REWWIJYXYSUVDJ-UHFFFAOYSA-N 0 0 349.415 4.127 50 0 EIAARN C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)c1nc2ccccc2[nH]1 ZINC000006664263 564095657 /nfs/dbraw/zinc/09/56/57/564095657.db2.gz BEEJYTNBDSSJRE-LBPRGKRZSA-N 0 0 339.826 4.125 50 0 EIAARN CC(C)CC(=O)N(Cc1nccn1Cc1ccccc1F)CC(C)C ZINC000006690554 564095874 /nfs/dbraw/zinc/09/58/74/564095874.db2.gz HQSWHWONUDAPFC-UHFFFAOYSA-N 0 0 345.462 4.101 50 0 EIAARN COc1c2ccc(Cl)cc2sc1C(=O)NCc1ccccc1 ZINC000064756799 564095960 /nfs/dbraw/zinc/09/59/60/564095960.db2.gz RVXJEEWBKBPJSR-UHFFFAOYSA-N 0 0 331.824 4.493 50 0 EIAARN CC(C)c1cc(Nc2ccccc2F)n2nc(-c3cccnc3)nc2n1 ZINC000064790983 564096210 /nfs/dbraw/zinc/09/62/10/564096210.db2.gz MDWISJJZKDLTFC-UHFFFAOYSA-N 0 0 348.385 4.192 50 0 EIAARN O=C(Nc1nonc1-c1ccc(F)cc1)c1cccc2ccccc21 ZINC000006719612 564096316 /nfs/dbraw/zinc/09/63/16/564096316.db2.gz WVBGPVHKRGJSKM-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c1 ZINC000064818527 564096531 /nfs/dbraw/zinc/09/65/31/564096531.db2.gz LUZDPSFBCMTOGO-UHFFFAOYSA-N 0 0 334.423 4.416 50 0 EIAARN CCn1nc(C)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000006728412 564096575 /nfs/dbraw/zinc/09/65/75/564096575.db2.gz KFCDPNMVRYMGNO-UHFFFAOYSA-N 0 0 333.435 4.054 50 0 EIAARN CCSC[C@@H]1COC(c2cccn2Cc2ccc(Cl)cc2)=N1 ZINC000006729555 564096597 /nfs/dbraw/zinc/09/65/97/564096597.db2.gz ZCFRTLDYTLUFOJ-HNNXBMFYSA-N 0 0 334.872 4.088 50 0 EIAARN Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccco2)cc1C ZINC000006747364 564096887 /nfs/dbraw/zinc/09/68/87/564096887.db2.gz CKLWAYAZYLEZTB-UHFFFAOYSA-N 0 0 339.391 4.097 50 0 EIAARN CC(=O)N(C)Cc1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000006748336 564096955 /nfs/dbraw/zinc/09/69/55/564096955.db2.gz BEKRXVFZDURVAC-UHFFFAOYSA-N 0 0 343.430 4.216 50 0 EIAARN Cc1cccc2c1Oc1nc(-c3cc(Cl)ccc3O)[nH]c(=O)c1C2 ZINC000006748495 564096987 /nfs/dbraw/zinc/09/69/87/564096987.db2.gz ITULFZQOFZSKKQ-UHFFFAOYSA-N 0 0 340.766 4.213 50 0 EIAARN Cc1cc(C)n(-c2ncnc3c2c(C)c(C)n3CCc2ccccc2)n1 ZINC000006760364 564097310 /nfs/dbraw/zinc/09/73/10/564097310.db2.gz DEXQGZUCOVKTEA-UHFFFAOYSA-N 0 0 345.450 4.093 50 0 EIAARN Cc1cccc(NC(=O)Nc2nnc(N3CCC[C@@H](C)C3)s2)c1C ZINC000006768378 564097391 /nfs/dbraw/zinc/09/73/91/564097391.db2.gz GYXADAFTZFKIDT-LLVKDONJSA-N 0 0 345.472 4.035 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCO2)c1sccc1-c1ccccc1 ZINC000006787278 564097765 /nfs/dbraw/zinc/09/77/65/564097765.db2.gz YADPNJDYECKJEX-UHFFFAOYSA-N 0 0 337.400 4.439 50 0 EIAARN Cc1cc(SCC(=O)Nc2cccc(F)c2)nc2ccccc12 ZINC000006788606 564097838 /nfs/dbraw/zinc/09/78/38/564097838.db2.gz VGLNVCLQLFFCHG-UHFFFAOYSA-N 0 0 326.396 4.413 50 0 EIAARN CC(=O)Nc1nc(-c2ccccc2)c2c(-c3ccccc3)ccnn12 ZINC000169681446 564098175 /nfs/dbraw/zinc/09/81/75/564098175.db2.gz CPYURRBPABUFTL-UHFFFAOYSA-N 0 0 328.375 4.022 50 0 EIAARN CCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccccc21 ZINC000064960888 564098567 /nfs/dbraw/zinc/09/85/67/564098567.db2.gz XQWPGUBZQSLEEN-UHFFFAOYSA-N 0 0 331.375 4.047 50 0 EIAARN CCc1ccc2oc(C(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 ZINC000006811271 564098609 /nfs/dbraw/zinc/09/86/09/564098609.db2.gz CVDZIMKWOYNIBP-UHFFFAOYSA-N 0 0 327.767 4.261 50 0 EIAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(C)c(Cl)c3)oc2c1 ZINC000006811249 564098622 /nfs/dbraw/zinc/09/86/22/564098622.db2.gz KERMVAYWEHRODU-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN CCN(C(=O)c1ccccc1OC)c1nc(-c2ccccc2)cs1 ZINC000006826333 564098951 /nfs/dbraw/zinc/09/89/51/564098951.db2.gz FHYMMFOQCTYLED-UHFFFAOYSA-N 0 0 338.432 4.485 50 0 EIAARN CC[C@H](NC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCCO2 ZINC000064986941 564099134 /nfs/dbraw/zinc/09/91/34/564099134.db2.gz WWZBBOXUOXVBEK-KRWDZBQOSA-N 0 0 325.408 4.037 50 0 EIAARN CC(C)(C)C(=O)Nc1nnc(SCc2ccc(F)cc2F)s1 ZINC000006837385 564099284 /nfs/dbraw/zinc/09/92/84/564099284.db2.gz LVIROLSWXLTTAY-UHFFFAOYSA-N 0 0 343.424 4.093 50 0 EIAARN Cc1ccc(N(C)C(=O)c2cccc3c2SCCC3=O)cc1C ZINC000006841585 564099390 /nfs/dbraw/zinc/09/93/90/564099390.db2.gz FZIGYNILXNCJMS-UHFFFAOYSA-N 0 0 325.433 4.259 50 0 EIAARN C[C@H](Sc1ccc2c(c1)OCCO2)c1nnc(-c2cccs2)o1 ZINC000006844954 564099559 /nfs/dbraw/zinc/09/95/59/564099559.db2.gz DQZODRLIQWPYRN-JTQLQIEISA-N 0 0 346.433 4.423 50 0 EIAARN CC(C)C(=O)Nc1ccc(C2(C(=O)NCC3CC3)CCCCC2)cc1 ZINC000065027486 564099645 /nfs/dbraw/zinc/09/96/45/564099645.db2.gz FERGBICVLORDQJ-UHFFFAOYSA-N 0 0 342.483 4.009 50 0 EIAARN Cc1ccc(N2C[C@@H](c3noc(-c4cc(C)ccc4C)n3)CC2=O)cc1 ZINC000169755366 564100176 /nfs/dbraw/zinc/10/01/76/564100176.db2.gz CNOFRGQPKLFTSH-INIZCTEOSA-N 0 0 347.418 4.182 50 0 EIAARN COc1cccc(C(=O)Nc2ncc(Cc3cccc(C)c3)s2)c1 ZINC000006881586 564100612 /nfs/dbraw/zinc/10/06/12/564100612.db2.gz CFTZGRSEJFHLSD-UHFFFAOYSA-N 0 0 338.432 4.303 50 0 EIAARN Cc1ccc(NC(=O)Nc2noc3c2COc2ccccc2-3)cc1F ZINC000006892863 564100902 /nfs/dbraw/zinc/10/09/02/564100902.db2.gz YPDNVNITMHPLNS-UHFFFAOYSA-N 0 0 339.326 4.326 50 0 EIAARN O=C(NCc1cccn1Cc1ccccc1)Nc1ccc(F)cc1F ZINC000006917747 564101370 /nfs/dbraw/zinc/10/13/70/564101370.db2.gz OCFUKCWYHCLQNS-UHFFFAOYSA-N 0 0 341.361 4.136 50 0 EIAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000006919803 564101409 /nfs/dbraw/zinc/10/14/09/564101409.db2.gz DLRNJMLSPPIQEQ-LBPRGKRZSA-N 0 0 338.432 4.490 50 0 EIAARN O=C(CNc1ccc(Br)cc1)Nc1cccc(Cl)c1 ZINC000006923081 564101474 /nfs/dbraw/zinc/10/14/74/564101474.db2.gz GPRBEHFQPWSUKU-UHFFFAOYSA-N 0 0 339.620 4.153 50 0 EIAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000065133808 564101484 /nfs/dbraw/zinc/10/14/84/564101484.db2.gz KDOVPPVXKGHFFR-UHFFFAOYSA-N 0 0 347.418 4.086 50 0 EIAARN Cc1ccc(OCc2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1 ZINC000065137275 564101542 /nfs/dbraw/zinc/10/15/42/564101542.db2.gz XRBFNYFTSSGQSZ-UHFFFAOYSA-N 0 0 346.390 4.025 50 0 EIAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)c4ccco4)C3)n2)c1 ZINC000065135402 564101612 /nfs/dbraw/zinc/10/16/12/564101612.db2.gz BMKZGZMKLSFZHQ-KRWDZBQOSA-N 0 0 347.418 4.065 50 0 EIAARN CCc1ccccc1NC(=O)N1CCc2cn(C)c3cccc(c23)C1 ZINC000065148935 564101664 /nfs/dbraw/zinc/10/16/64/564101664.db2.gz VLNMJXXAQAFRJY-UHFFFAOYSA-N 0 0 333.435 4.331 50 0 EIAARN COc1ccc(-c2nc(-c3ccc4oc(C)nc4c3)no2)cc1F ZINC000065149642 564101762 /nfs/dbraw/zinc/10/17/62/564101762.db2.gz VBWCNHXLTOZMMN-UHFFFAOYSA-N 0 0 325.299 4.001 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2c[nH]c3cc(F)ccc23)C1(C)C ZINC000065161036 564101975 /nfs/dbraw/zinc/10/19/75/564101975.db2.gz CLKANWMSKSSLCR-AEFFLSMTSA-N 0 0 328.431 4.204 50 0 EIAARN O=C(Cc1cccc2ccccc21)Nc1cc(-c2ccccn2)no1 ZINC000065152731 564102049 /nfs/dbraw/zinc/10/20/49/564102049.db2.gz ZFPBMCCPHNLHPG-UHFFFAOYSA-N 0 0 329.359 4.071 50 0 EIAARN CCCn1cc(CCNC(=O)c2cc(C)ccc2C)c2cccnc21 ZINC000065163809 564102140 /nfs/dbraw/zinc/10/21/40/564102140.db2.gz OIKHPBWZUGOULH-UHFFFAOYSA-N 0 0 335.451 4.036 50 0 EIAARN CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccncc1 ZINC000065170463 564102159 /nfs/dbraw/zinc/10/21/59/564102159.db2.gz DOWOBSFGZFOURV-UHFFFAOYSA-N 0 0 339.826 4.153 50 0 EIAARN COc1ccccc1NC(=O)Cc1cccn1-c1ccc(Cl)cc1 ZINC000065170721 564102196 /nfs/dbraw/zinc/10/21/96/564102196.db2.gz YADCIBPHJRIIMD-UHFFFAOYSA-N 0 0 340.810 4.321 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc(-c2nc3cccnc3n2C(C)C)c1 ZINC000065172726 564102292 /nfs/dbraw/zinc/10/22/92/564102292.db2.gz PFGICXUAEFJEQK-AWEZNQCLSA-N 0 0 336.439 4.208 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1 ZINC000006969538 564102427 /nfs/dbraw/zinc/10/24/27/564102427.db2.gz PJVIJDOJALBBLI-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN Cc1ccc(C)c(-n2cnn(CN(C)Cc3ccccc3)c2=S)c1 ZINC000006986016 564102644 /nfs/dbraw/zinc/10/26/44/564102644.db2.gz AEBMQSYZGMJYGM-UHFFFAOYSA-N 0 0 338.480 4.110 50 0 EIAARN CCCn1cc(C(=O)Nc2cccc(SC)c2)c2cccnc21 ZINC000065216774 564102876 /nfs/dbraw/zinc/10/28/76/564102876.db2.gz VVXJGVFJKXPPOS-UHFFFAOYSA-N 0 0 325.437 4.421 50 0 EIAARN Cc1ccc(Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)cc1 ZINC000065215802 564102877 /nfs/dbraw/zinc/10/28/77/564102877.db2.gz AVSGNCGNPFDDEK-UHFFFAOYSA-N 0 0 348.450 4.411 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccsc1-c1nnc(C2CC2)o1 ZINC000065218557 564102902 /nfs/dbraw/zinc/10/29/02/564102902.db2.gz QQEODQXNFXGBCO-UHFFFAOYSA-N 0 0 325.393 4.236 50 0 EIAARN O=C(NC[C@]1(c2ccccc2)CCCOCC1)c1ccc(Cl)cc1 ZINC000065226093 564103097 /nfs/dbraw/zinc/10/30/97/564103097.db2.gz KXOUVWBQAHRZDY-FQEVSTJZSA-N 0 0 343.854 4.208 50 0 EIAARN COc1cccc(NC(=O)c2ccc3nc(-c4ccccc4)cn3c2)c1 ZINC000065229868 564103106 /nfs/dbraw/zinc/10/31/06/564103106.db2.gz CIBAIDLCONLVNW-UHFFFAOYSA-N 0 0 343.386 4.262 50 0 EIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)sn2)cc1 ZINC000065233100 564103263 /nfs/dbraw/zinc/10/32/63/564103263.db2.gz MBYNIRZSYSMLRP-UHFFFAOYSA-N 0 0 346.358 4.349 50 0 EIAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000007052203 564103809 /nfs/dbraw/zinc/10/38/09/564103809.db2.gz KIIZEUUCQTYXOC-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN CCN(CC)c1cc(CCC(=O)Nc2ccc(C)cc2C)ccn1 ZINC000065269929 564103846 /nfs/dbraw/zinc/10/38/46/564103846.db2.gz FSTPYQUNMNBZCZ-UHFFFAOYSA-N 0 0 325.456 4.116 50 0 EIAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000007052381 564103891 /nfs/dbraw/zinc/10/38/91/564103891.db2.gz BHULBLDSNDGCRU-ZDUSSCGKSA-N 0 0 331.437 4.204 50 0 EIAARN Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000007053060 564103906 /nfs/dbraw/zinc/10/39/06/564103906.db2.gz RQGLSJZCIIOOAU-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN COc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1 ZINC000007067374 564104148 /nfs/dbraw/zinc/10/41/48/564104148.db2.gz ILJWGWACDWBAOM-UHFFFAOYSA-N 0 0 327.767 4.159 50 0 EIAARN COc1cc(-c2ccc(SC3CCCC3)nn2)cc(OC)c1OC ZINC000036652413 564104292 /nfs/dbraw/zinc/10/42/92/564104292.db2.gz LGJSCICYXPYPGZ-UHFFFAOYSA-N 0 0 346.452 4.204 50 0 EIAARN Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cccn2C)cc1 ZINC000007087957 564104648 /nfs/dbraw/zinc/10/46/48/564104648.db2.gz CJLKDXMAGGDSER-HXUWFJFHSA-N 0 0 331.419 4.100 50 0 EIAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)s1 ZINC000007113377 564104909 /nfs/dbraw/zinc/10/49/09/564104909.db2.gz QLWRSELRBDKPBQ-CYBMUJFWSA-N 0 0 326.343 4.185 50 0 EIAARN COc1ccc(C(=O)CSc2nccc3c(OC)cccc32)cc1 ZINC000036708198 564105024 /nfs/dbraw/zinc/10/50/24/564105024.db2.gz YZJRAAFQZMJVHY-UHFFFAOYSA-N 0 0 339.416 4.227 50 0 EIAARN Cc1nc2cc(NC(=O)c3cc(-c4cccs4)[nH]n3)ccc2s1 ZINC000036709897 564105221 /nfs/dbraw/zinc/10/52/21/564105221.db2.gz YJIZPWKFIACSRH-UHFFFAOYSA-N 0 0 340.433 4.309 50 0 EIAARN CCOc1ccc(Nc2c(-c3ccccc3O)nc3cnccn32)cc1 ZINC000065323357 564105248 /nfs/dbraw/zinc/10/52/48/564105248.db2.gz NGBIXDYGQGUPCA-UHFFFAOYSA-N 0 0 346.390 4.244 50 0 EIAARN O=C1C[C@@H](c2ccccc2F)c2cnn(-c3cccc(Cl)c3)c2N1 ZINC000065331236 564105337 /nfs/dbraw/zinc/10/53/37/564105337.db2.gz NROYQDFIIXLYBM-AWEZNQCLSA-N 0 0 341.773 4.139 50 0 EIAARN CCn1c2ccccc2nc1SCc1nc(-c2cccs2)no1 ZINC000007153838 564105547 /nfs/dbraw/zinc/10/55/47/564105547.db2.gz BNZAQGFLFQJDEG-UHFFFAOYSA-N 0 0 342.449 4.460 50 0 EIAARN COc1ccc(COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1F ZINC000007166250 564105575 /nfs/dbraw/zinc/10/55/75/564105575.db2.gz HNBGJICNDSGYRF-NSHDSACASA-N 0 0 334.412 4.378 50 0 EIAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)o1 ZINC000007194387 564105693 /nfs/dbraw/zinc/10/56/93/564105693.db2.gz POIYVEWDGXEYJK-UHFFFAOYSA-N 0 0 344.392 4.142 50 0 EIAARN CN(CC(=O)Nc1ccnn1C1CCCC1)c1ccc2ccccc2c1 ZINC000007210776 564105797 /nfs/dbraw/zinc/10/57/97/564105797.db2.gz MHLNDGHQJFEPMT-UHFFFAOYSA-N 0 0 348.450 4.226 50 0 EIAARN O=C(NCCn1cc(-c2ccccc2)cn1)c1cccc2ccccc21 ZINC000238972622 564105858 /nfs/dbraw/zinc/10/58/58/564105858.db2.gz ZOHODCYSKYBNES-UHFFFAOYSA-N 0 0 341.414 4.133 50 0 EIAARN CCc1ccc(C(=O)CSc2nncn2-c2ccccc2F)s1 ZINC000007223999 564105907 /nfs/dbraw/zinc/10/59/07/564105907.db2.gz JMPAHXAALKWGOK-UHFFFAOYSA-N 0 0 347.440 4.005 50 0 EIAARN O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000036832987 564105963 /nfs/dbraw/zinc/10/59/63/564105963.db2.gz FECWAALVFMDSSH-IBGZPJMESA-N 0 0 334.350 4.111 50 0 EIAARN CCOC1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 ZINC000065475274 564106270 /nfs/dbraw/zinc/10/62/70/564106270.db2.gz MZKUPLBBQWTGOC-UHFFFAOYSA-N 0 0 338.860 4.038 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000007271762 564106309 /nfs/dbraw/zinc/10/63/09/564106309.db2.gz JMPHSJMMPULTCF-UHFFFAOYSA-N 0 0 342.826 4.023 50 0 EIAARN O=C(C[C@H]1C=CCC1)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 ZINC000065493952 564106523 /nfs/dbraw/zinc/10/65/23/564106523.db2.gz FZDKQGGTURVRMO-HOCLYGCPSA-N 0 0 345.393 4.035 50 0 EIAARN O=C(C[C@H]1C=CCC1)N[C@H](Cc1nccn1C(F)F)c1ccccc1 ZINC000065493949 564106526 /nfs/dbraw/zinc/10/65/26/564106526.db2.gz FZDKQGGTURVRMO-GOEBONIOSA-N 0 0 345.393 4.035 50 0 EIAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 ZINC000007378545 564107143 /nfs/dbraw/zinc/10/71/43/564107143.db2.gz BDVOWKXZXMFLNS-LBPRGKRZSA-N 0 0 349.261 4.379 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cnc(-c3ccccc3)nc2)o1 ZINC000065533873 564107153 /nfs/dbraw/zinc/10/71/53/564107153.db2.gz KRWGGACGYUIXMT-KDOFPFPSSA-N 0 0 347.418 4.132 50 0 EIAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1ccccc1 ZINC000007380682 564107690 /nfs/dbraw/zinc/10/76/90/564107690.db2.gz JJMNDVAKSFYMPD-GFCCVEGCSA-N 0 0 337.250 4.452 50 0 EIAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2s1 ZINC000065593198 564108036 /nfs/dbraw/zinc/10/80/36/564108036.db2.gz VYOBOOWCSCHZDG-KBPBESRZSA-N 0 0 338.432 4.071 50 0 EIAARN O=C(Nc1cccc(Cl)c1F)c1ccccc1Br ZINC000007407786 564108102 /nfs/dbraw/zinc/10/81/02/564108102.db2.gz FRDKTQLGGOSFST-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN O=C(NCCOc1ccc2ccccc2c1)c1nccc2ccccc21 ZINC000065610795 564108335 /nfs/dbraw/zinc/10/83/35/564108335.db2.gz OAAWWVNESGTDDR-UHFFFAOYSA-N 0 0 342.398 4.197 50 0 EIAARN C[C@@H](NC(=O)C1CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000065611916 564108353 /nfs/dbraw/zinc/10/83/53/564108353.db2.gz RJJSFPGHRCDHHV-OAHLLOKOSA-N 0 0 325.408 4.083 50 0 EIAARN CC(C)Cc1nnc(-c2cc3ccccc3n2Cc2cccnc2)o1 ZINC000007453391 564108632 /nfs/dbraw/zinc/10/86/32/564108632.db2.gz VWPLROTUONZJRN-UHFFFAOYSA-N 0 0 332.407 4.333 50 0 EIAARN CSc1nc(C)c(CC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000037171286 564108641 /nfs/dbraw/zinc/10/86/41/564108641.db2.gz QZXPBCCTDKQXRR-QWHCGFSZSA-N 0 0 340.558 4.437 50 0 EIAARN Cc1sc2ncnc(Oc3cccc4c3CCC[C@@H]4O)c2c1C ZINC000007467160 564108702 /nfs/dbraw/zinc/10/87/02/564108702.db2.gz OTFPRWSWNGNUEX-AWEZNQCLSA-N 0 0 326.421 4.470 50 0 EIAARN C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc21 ZINC000007471732 564108749 /nfs/dbraw/zinc/10/87/49/564108749.db2.gz PMXVFLRYSBBEGR-GFCCVEGCSA-N 0 0 348.431 4.317 50 0 EIAARN Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)c2c1 ZINC000170594097 564108982 /nfs/dbraw/zinc/10/89/82/564108982.db2.gz DZLHNPQLGRZTNH-LJQANCHMSA-N 0 0 333.435 4.465 50 0 EIAARN C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc2ncsc2c1 ZINC000170600803 564109296 /nfs/dbraw/zinc/10/92/96/564109296.db2.gz GHEDZJBZWOYGKQ-JTQLQIEISA-N 0 0 348.374 4.389 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(Cl)ccc1F ZINC000007522926 564109802 /nfs/dbraw/zinc/10/98/02/564109802.db2.gz ZSABSNFTXCKOPI-UHFFFAOYSA-N 0 0 345.757 4.309 50 0 EIAARN O=C(N[C@@H]1CCCc2c(O)cccc21)[C@H]1C[C@H]1c1ccccc1Cl ZINC000170611447 564109824 /nfs/dbraw/zinc/10/98/24/564109824.db2.gz YEAYVLYAQSNVAZ-XYJFISCASA-N 0 0 341.838 4.343 50 0 EIAARN O=C(Cc1cccs1)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000065727532 564109956 /nfs/dbraw/zinc/10/99/56/564109956.db2.gz TYGSUBDQNIQJEQ-KRWDZBQOSA-N 0 0 337.448 4.052 50 0 EIAARN Cc1c[nH]nc1NC(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000170617006 564110103 /nfs/dbraw/zinc/11/01/03/564110103.db2.gz GQKWGSGVFJXHIZ-UHFFFAOYSA-N 0 0 344.362 4.325 50 0 EIAARN C[C@@H](OC(=O)Cc1cccc(C(F)F)c1)c1nc2ccccc2n1C ZINC000170618342 564110115 /nfs/dbraw/zinc/11/01/15/564110115.db2.gz FZJNUGISHORVFK-GFCCVEGCSA-N 0 0 344.361 4.358 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(F)c(Cl)c2)c1C ZINC000007551696 564110348 /nfs/dbraw/zinc/11/03/48/564110348.db2.gz VVRIPXPZKAOMLE-LLVKDONJSA-N 0 0 337.778 4.277 50 0 EIAARN CC(C)C[C@@H]1COCCN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000170626630 564110523 /nfs/dbraw/zinc/11/05/23/564110523.db2.gz AJPZJPSISXRSDB-MRXNPFEDSA-N 0 0 336.435 4.208 50 0 EIAARN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000170631003 564110599 /nfs/dbraw/zinc/11/05/99/564110599.db2.gz XWTYHSMLXUVXJY-JCNKGUOZSA-N 0 0 333.516 4.160 50 0 EIAARN C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009998296 564111012 /nfs/dbraw/zinc/11/10/12/564111012.db2.gz QOPIJKJLPYDPGO-JTQLQIEISA-N 0 0 334.769 4.172 50 0 EIAARN COc1ccc(NC(=O)c2cc3c(cccc3F)s2)c(OC)c1 ZINC000010025548 564111017 /nfs/dbraw/zinc/11/10/17/564111017.db2.gz ZMBOBHMEIBCOGK-UHFFFAOYSA-N 0 0 331.368 4.310 50 0 EIAARN C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000013320543 564111479 /nfs/dbraw/zinc/11/14/79/564111479.db2.gz RFTZTFATXLMKOF-PELKAZGASA-N 0 0 336.741 4.048 50 0 EIAARN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000013746726 564112038 /nfs/dbraw/zinc/11/20/38/564112038.db2.gz UEOIKFQRWGKQQG-AWEZNQCLSA-N 0 0 340.423 4.479 50 0 EIAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(Br)cc1)C2 ZINC000014206143 564112348 /nfs/dbraw/zinc/11/23/48/564112348.db2.gz LYVJYMSRAPLFIF-HNNXBMFYSA-N 0 0 348.265 4.413 50 0 EIAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)nc1 ZINC000014604297 564112550 /nfs/dbraw/zinc/11/25/50/564112550.db2.gz SYBTYMXCOXWQLT-UHFFFAOYSA-N 0 0 343.736 4.072 50 0 EIAARN Cc1cccc(C(=O)NCCC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000014668778 564113055 /nfs/dbraw/zinc/11/30/55/564113055.db2.gz OHHSDGZDADXDMF-UHFFFAOYSA-N 0 0 344.842 4.024 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000089768138 564113628 /nfs/dbraw/zinc/11/36/28/564113628.db2.gz CSXSIZVRBJYVDK-BMFZPTHFSA-N 0 0 349.421 4.066 50 0 EIAARN O=C(NCc1ccncc1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000089768485 564113650 /nfs/dbraw/zinc/11/36/50/564113650.db2.gz WEMQDEMQQCINEZ-UHFFFAOYSA-N 0 0 345.393 4.014 50 0 EIAARN O=C(Nc1cccc(CSC2CCCC2)c1)N1CC[C@@H](CCO)C1 ZINC000089780541 564113687 /nfs/dbraw/zinc/11/36/87/564113687.db2.gz AMWZSSPHPGTOGH-HNNXBMFYSA-N 0 0 348.512 4.099 50 0 EIAARN Cc1ccc(-c2cc3c(=O)n(Cc4ccccc4C)ccn3n2)cc1C ZINC000016840067 564113747 /nfs/dbraw/zinc/11/37/47/564113747.db2.gz OXSLIDCIEQCILE-UHFFFAOYSA-N 0 0 343.430 4.137 50 0 EIAARN O=C(NCCc1ccc(N2CCCC2)cc1)c1c(F)cccc1Cl ZINC000016847208 564113835 /nfs/dbraw/zinc/11/38/35/564113835.db2.gz VXRVVNREDHPGPZ-UHFFFAOYSA-N 0 0 346.833 4.052 50 0 EIAARN c1csc(-c2nc(COc3ccccc3-c3nc[nH]n3)cs2)c1 ZINC000089821233 564114052 /nfs/dbraw/zinc/11/40/52/564114052.db2.gz IFLGMETWNZQGCC-UHFFFAOYSA-N 0 0 340.433 4.236 50 0 EIAARN OC1(CN(Cc2ccccc2)c2ncnc3sccc32)CCCC1 ZINC000089832551 564114127 /nfs/dbraw/zinc/11/41/27/564114127.db2.gz ZXXPCRDJUSRXEW-UHFFFAOYSA-N 0 0 339.464 4.003 50 0 EIAARN C[C@@H]1CN(C(=O)c2cnc([C@H]3CCCO3)s2)c2ccccc2S1 ZINC000089824726 564114132 /nfs/dbraw/zinc/11/41/32/564114132.db2.gz IZTKFIDZDBWFKU-DGCLKSJQSA-N 0 0 346.477 4.136 50 0 EIAARN O=C(Cc1noc2ccccc21)Nc1ccc2nc(C3CC3)oc2c1 ZINC000089872944 564114392 /nfs/dbraw/zinc/11/43/92/564114392.db2.gz QKATUEBVUPJNDG-UHFFFAOYSA-N 0 0 333.347 4.028 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)N[C@@H](c1nccs1)C1CC1 ZINC000089885077 564114727 /nfs/dbraw/zinc/11/47/27/564114727.db2.gz FEZIHRRZMCPGEU-OAHLLOKOSA-N 0 0 345.472 4.118 50 0 EIAARN C[C@@H](O)C[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1 ZINC000089894872 564114901 /nfs/dbraw/zinc/11/49/01/564114901.db2.gz WIZQZZDDCSAAPU-APWZRJJASA-N 0 0 349.430 4.231 50 0 EIAARN C[C@H](c1ccncc1)N(C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000089910228 564115270 /nfs/dbraw/zinc/11/52/70/564115270.db2.gz WCKYRCPUVMJZCF-LLVKDONJSA-N 0 0 338.238 4.020 50 0 EIAARN CC(C)Oc1ccc(Cl)cc1C(=O)N1c2ccnn2[C@H](C)C[C@H]1C ZINC000089920358 564115420 /nfs/dbraw/zinc/11/54/20/564115420.db2.gz VMJRHIRGFHJYPM-CHWSQXEVSA-N 0 0 347.846 4.324 50 0 EIAARN CCC(CC)n1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)n1 ZINC000089943245 564115655 /nfs/dbraw/zinc/11/56/55/564115655.db2.gz CRUNYMVLERPRCM-UHFFFAOYSA-N 0 0 347.503 4.198 50 0 EIAARN CSc1ccc(C)c(C(=O)NCc2nc(C(F)(F)F)cs2)c1 ZINC000153210615 564116253 /nfs/dbraw/zinc/11/62/53/564116253.db2.gz LNPNRNBGUIEYAD-UHFFFAOYSA-N 0 0 346.399 4.122 50 0 EIAARN Cc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4C)ccn3n2)cc1 ZINC000017051478 564116281 /nfs/dbraw/zinc/11/62/81/564116281.db2.gz CHHCZXHHYULOLC-UHFFFAOYSA-N 0 0 343.430 4.137 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014789985 564116409 /nfs/dbraw/zinc/11/64/09/564116409.db2.gz MZHYPVRCGJXRTF-UHFFFAOYSA-N 0 0 343.732 4.297 50 0 EIAARN COc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000017120475 564116475 /nfs/dbraw/zinc/11/64/75/564116475.db2.gz XVWNSYQEWOKHIJ-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1[C@H](C)CCC2 ZINC000000151131 564116669 /nfs/dbraw/zinc/11/66/69/564116669.db2.gz YGHLPASPMBXVGU-SNVBAGLBSA-N 0 0 333.409 4.210 50 0 EIAARN C[C@@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 ZINC000017242177 564116758 /nfs/dbraw/zinc/11/67/58/564116758.db2.gz ACIHXFGAEPNSCL-CYBMUJFWSA-N 0 0 333.370 4.128 50 0 EIAARN Cc1cccc2c(C)cc(SCC(=O)NC3CCCCC3)nc12 ZINC000002869322 564117007 /nfs/dbraw/zinc/11/70/07/564117007.db2.gz QCXGPZBDBHTKKY-UHFFFAOYSA-N 0 0 328.481 4.393 50 0 EIAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C)cc1 ZINC000003612602 564117128 /nfs/dbraw/zinc/11/71/28/564117128.db2.gz FJCQKMWHKAZJLF-CYBMUJFWSA-N 0 0 335.407 4.328 50 0 EIAARN CCCc1sc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1CC ZINC000170636582 564117327 /nfs/dbraw/zinc/11/73/27/564117327.db2.gz AZZJZZHWTDAYGW-XKQJLSEDSA-N 0 0 335.513 4.149 50 0 EIAARN COc1cc(OC)c(NC(=O)c2cccc(OC(C)C)c2)cc1Cl ZINC000006697943 564117413 /nfs/dbraw/zinc/11/74/13/564117413.db2.gz DROKRSHFYBPBAB-UHFFFAOYSA-N 0 0 349.814 4.397 50 0 EIAARN Brc1cccc(-c2noc(CCc3ccccc3)n2)c1 ZINC000006697811 564117434 /nfs/dbraw/zinc/11/74/34/564117434.db2.gz WJEXXTATOOAWNH-UHFFFAOYSA-N 0 0 329.197 4.284 50 0 EIAARN CCO[C@@H]1C[C@H](Nc2nccc(C(F)(F)F)n2)C12CCCCC2 ZINC000170639418 564117613 /nfs/dbraw/zinc/11/76/13/564117613.db2.gz JODIFRYUSYKERB-QWHCGFSZSA-N 0 0 329.366 4.035 50 0 EIAARN Cc1nc(-c2ccccc2NC(=O)c2cc(C3CC3)on2)cs1 ZINC000208009744 564118750 /nfs/dbraw/zinc/11/87/50/564118750.db2.gz KGTCGFAWXQJCNY-UHFFFAOYSA-N 0 0 325.393 4.236 50 0 EIAARN O=S(=O)(Oc1cccc2cccnc21)c1ccc2ccccc2c1 ZINC000003077260 564119109 /nfs/dbraw/zinc/11/91/09/564119109.db2.gz LIVYRCFRPZEPCI-UHFFFAOYSA-N 0 0 335.384 4.156 50 0 EIAARN COCc1cccc(CC(=O)N[C@@H](C)c2oc3ccccc3c2C)c1 ZINC000252487081 564119359 /nfs/dbraw/zinc/11/93/59/564119359.db2.gz HSDDLPFOEDXDPY-HNNXBMFYSA-N 0 0 337.419 4.308 50 0 EIAARN COc1ccccc1NC(=O)N1CCS[C@H](c2ccccc2)CC1 ZINC000208043063 564119596 /nfs/dbraw/zinc/11/95/96/564119596.db2.gz ZJXMKBIBBVBVOS-SFHVURJKSA-N 0 0 342.464 4.407 50 0 EIAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(F)cc1)CO3 ZINC000002159463 564119626 /nfs/dbraw/zinc/11/96/26/564119626.db2.gz GDZRFDBZDBZCBW-UHFFFAOYSA-N 0 0 339.366 4.159 50 0 biogenic EIAARN O=C(CCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000252501882 564119843 /nfs/dbraw/zinc/11/98/43/564119843.db2.gz UKFZPUMUKPCZFW-UHFFFAOYSA-N 0 0 342.826 4.186 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccc2ccccc2c1)C1=CCOCC1 ZINC000252508962 564120022 /nfs/dbraw/zinc/12/00/22/564120022.db2.gz XZNUURZROPKSGQ-JOCHJYFZSA-N 0 0 343.426 4.392 50 0 EIAARN CC(C)N1CC[C@@H](Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)C1=O ZINC000170650932 564120363 /nfs/dbraw/zinc/12/03/63/564120363.db2.gz JRBOIWIRAPCMQT-NSISKUIASA-N 0 0 344.499 4.203 50 0 EIAARN COc1cccc(F)c1NC(=O)Nc1cnn(C2CCCC2)c1C ZINC000194033176 564120388 /nfs/dbraw/zinc/12/03/88/564120388.db2.gz DRJOPZFZVWYXTH-UHFFFAOYSA-N 0 0 332.379 4.098 50 0 EIAARN c1sc(-c2cc3ccccc3o2)nc1-c1nc(-c2cnccn2)no1 ZINC000170657032 564120935 /nfs/dbraw/zinc/12/09/35/564120935.db2.gz PAQVQBCILNZZGN-UHFFFAOYSA-N 0 0 347.359 4.063 50 0 EIAARN CCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000007614625 564120968 /nfs/dbraw/zinc/12/09/68/564120968.db2.gz ZLOABZGBVXOJFO-UHFFFAOYSA-N 0 0 338.432 4.390 50 0 EIAARN CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1OC(F)F ZINC000027358663 564121065 /nfs/dbraw/zinc/12/10/65/564121065.db2.gz NDAOSEDJTFDCDL-CJNGLKHVSA-N 0 0 349.377 4.323 50 0 EIAARN CSc1ncccc1C(=O)OCC(=O)c1cc(C)c(C)c(C)c1C ZINC000007657345 564121604 /nfs/dbraw/zinc/12/16/04/564121604.db2.gz VVDKWONVCFRBIS-UHFFFAOYSA-N 0 0 343.448 4.077 50 0 EIAARN Cc1ccc([C@@H](NC(=O)COc2ccccc2F)c2ccccc2)cc1 ZINC000007686172 564121920 /nfs/dbraw/zinc/12/19/20/564121920.db2.gz ACHIWSCTGAGMFB-QFIPXVFZSA-N 0 0 349.405 4.419 50 0 EIAARN Cc1nc2ccccc2c(C)c1C(=O)OCc1nc2ccccc2o1 ZINC000007711126 564122192 /nfs/dbraw/zinc/12/21/92/564122192.db2.gz KFPVARSOPZKRPZ-UHFFFAOYSA-N 0 0 332.359 4.350 50 0 EIAARN CCc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000007724539 564122289 /nfs/dbraw/zinc/12/22/89/564122289.db2.gz WFVTUOUMQWCNHU-UHFFFAOYSA-N 0 0 342.870 4.173 50 0 EIAARN Cc1ccc(COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 ZINC000007737177 564122444 /nfs/dbraw/zinc/12/24/44/564122444.db2.gz GCHPRYLBLSUSQB-UHFFFAOYSA-N 0 0 328.751 4.112 50 0 EIAARN Cc1csc(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)n1 ZINC000007737674 564122456 /nfs/dbraw/zinc/12/24/56/564122456.db2.gz SRHGABBBXVYLQI-OAHLLOKOSA-N 0 0 332.494 4.080 50 0 EIAARN Cc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000007738609 564122491 /nfs/dbraw/zinc/12/24/91/564122491.db2.gz HNVUKFUXSGODTI-HNNXBMFYSA-N 0 0 345.402 4.418 50 0 EIAARN O=C(Cc1ccccc1F)Nc1ccc(Br)cc1Cl ZINC000007748439 564122610 /nfs/dbraw/zinc/12/26/10/564122610.db2.gz IOJIBWKIPNPGPP-UHFFFAOYSA-N 0 0 342.595 4.423 50 0 EIAARN Cc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c(Cl)c1 ZINC000007757030 564122750 /nfs/dbraw/zinc/12/27/50/564122750.db2.gz CUTMMXFBRHLVHW-UHFFFAOYSA-N 0 0 346.833 4.391 50 0 EIAARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000007769855 564122957 /nfs/dbraw/zinc/12/29/57/564122957.db2.gz JMSPZGOYVLYTAE-UHFFFAOYSA-N 0 0 344.370 4.246 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000007779095 564123079 /nfs/dbraw/zinc/12/30/79/564123079.db2.gz IDQICFPRKRYSRP-AWEZNQCLSA-N 0 0 335.369 4.385 50 0 EIAARN Cc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)nc2ccccc12 ZINC000195317544 564123227 /nfs/dbraw/zinc/12/32/27/564123227.db2.gz QJRSFOPDQKXWBP-UHFFFAOYSA-N 0 0 345.324 4.147 50 0 EIAARN CCc1cccc(OCCOC(=O)c2cc(C)nc3ccccc32)c1 ZINC000007782281 564123231 /nfs/dbraw/zinc/12/32/31/564123231.db2.gz UDOWJJGMULMVNE-UHFFFAOYSA-N 0 0 335.403 4.341 50 0 EIAARN O=C(CSc1cccc(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000007781654 564123241 /nfs/dbraw/zinc/12/32/41/564123241.db2.gz LHGCEPMPNUURPX-UHFFFAOYSA-N 0 0 337.366 4.387 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000007814065 564123961 /nfs/dbraw/zinc/12/39/61/564123961.db2.gz QIELKCJJAIYDRZ-BLLLJJGKSA-N 0 0 347.867 4.461 50 0 EIAARN O=C(CSc1ccc(F)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000007826383 564124060 /nfs/dbraw/zinc/12/40/60/564124060.db2.gz ARVLBUKLLUFVMG-UHFFFAOYSA-N 0 0 347.386 4.067 50 0 EIAARN COc1ccc(-c2nnc(SCc3cc(C)ccc3OC)o2)cc1 ZINC000007826908 564124072 /nfs/dbraw/zinc/12/40/72/564124072.db2.gz VGEFUWKTQHQFCT-UHFFFAOYSA-N 0 0 342.420 4.355 50 0 EIAARN Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2)cc1 ZINC000007884001 564124354 /nfs/dbraw/zinc/12/43/54/564124354.db2.gz CUMQGZIHFJGIJE-NRFANRHFSA-N 0 0 344.414 4.467 50 0 EIAARN CC(C)Cc1nc2oc3c(ncnc3Cl)c2c2c1COC(C)(C)C2 ZINC000002227028 564124471 /nfs/dbraw/zinc/12/44/71/564124471.db2.gz PAQUTLMMKQORTB-UHFFFAOYSA-N 0 0 345.830 4.474 50 0 EIAARN O=C(COc1ccccc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007890165 564124475 /nfs/dbraw/zinc/12/44/75/564124475.db2.gz ZAXQBDDCEIORJO-LJQANCHMSA-N 0 0 341.407 4.172 50 0 EIAARN CCCCSc1nc2sc3c(c2c(N)n1)C[C@H](C(C)C)OC3 ZINC000002237471 564125228 /nfs/dbraw/zinc/12/52/28/564125228.db2.gz PKGYKHGMWPSRGK-LLVKDONJSA-N 0 0 337.514 4.263 50 0 EIAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1 ZINC000007926912 564125549 /nfs/dbraw/zinc/12/55/49/564125549.db2.gz ISTHPIBSNSLWPW-UHFFFAOYSA-N 0 0 329.252 4.125 50 0 EIAARN CC(C)COP(=O)(OCC(C)C)[C@@H](O)c1ccc(N(C)C)cc1 ZINC000002278127 564125635 /nfs/dbraw/zinc/12/56/35/564125635.db2.gz ILQSIKUHHWRPJW-QGZVFWFLSA-N 0 0 343.404 4.282 50 0 EIAARN CCCCCCn1cc(C(=O)OCC)c(=O)c2cc(F)c(F)cc21 ZINC000002280823 564130196 /nfs/dbraw/zinc/13/01/96/564130196.db2.gz PNKLMSMGRPOCOC-UHFFFAOYSA-N 0 0 337.366 4.037 50 0 EIAARN O=C(NC1CCCCCC1)c1cccc(COCC(F)(F)F)c1 ZINC000000998920 564130206 /nfs/dbraw/zinc/13/02/06/564130206.db2.gz FQECYODDXMQVMR-UHFFFAOYSA-N 0 0 329.362 4.218 50 0 EIAARN COc1ccc([C@H](O)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000002281289 564130233 /nfs/dbraw/zinc/13/02/33/564130233.db2.gz NOSBGNNBXLHPNW-MRXNPFEDSA-N 0 0 330.361 4.224 50 0 EIAARN c1nc(COc2ccccc2N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cs1 ZINC000253369799 564130338 /nfs/dbraw/zinc/13/03/38/564130338.db2.gz IGWZEKRACFEXMG-BMGDILEWSA-N 0 0 342.464 4.092 50 0 EIAARN Cc1cc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)c(C)s1 ZINC000253418926 564130952 /nfs/dbraw/zinc/13/09/52/564130952.db2.gz FQJYYQNNMWUHME-UHFFFAOYSA-N 0 0 339.420 4.430 50 0 EIAARN CC(C)n1ncc(C(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)c1N ZINC000253419826 564131020 /nfs/dbraw/zinc/13/10/20/564131020.db2.gz DZKJVBMBVUMMSK-LBPRGKRZSA-N 0 0 346.862 4.065 50 0 EIAARN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(F)nc2F)o1 ZINC000253424333 564131041 /nfs/dbraw/zinc/13/10/41/564131041.db2.gz DSTSHVRDESFTHN-GXFFZTMASA-N 0 0 335.354 4.266 50 0 EIAARN CC(C)CCOc1ccc(C(=O)c2nc3c(n2O)CCCCC3)cc1 ZINC000002333993 564132311 /nfs/dbraw/zinc/13/23/11/564132311.db2.gz WHNQXYNYOAJMEN-UHFFFAOYSA-N 0 0 342.439 4.045 50 0 EIAARN OCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000002330326 564132328 /nfs/dbraw/zinc/13/23/28/564132328.db2.gz 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/nfs/dbraw/zinc/13/53/40/564135340.db2.gz RWOLGXURSQDZJZ-UHFFFAOYSA-N 0 0 339.704 4.487 50 0 EIAARN CCn1c(CSc2nnc(SC)s2)nc2cc(F)ccc21 ZINC000066256330 564135341 /nfs/dbraw/zinc/13/53/41/564135341.db2.gz WKCMOQOALSSZEL-UHFFFAOYSA-N 0 0 340.474 4.061 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1 ZINC000007944243 564135392 /nfs/dbraw/zinc/13/53/92/564135392.db2.gz LWBMKTAZCDFDPI-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN O=C(CNc1ccc(Br)cc1)Nc1ccc(Cl)cc1 ZINC000007953161 564136357 /nfs/dbraw/zinc/13/63/57/564136357.db2.gz MQDPKPPGIFCABD-UHFFFAOYSA-N 0 0 339.620 4.153 50 0 EIAARN COc1ccc(C)cc1NC(=O)CNc1cccc(C(F)(F)F)c1 ZINC000007955801 564136408 /nfs/dbraw/zinc/13/64/08/564136408.db2.gz FYWCPKADPDHJEW-UHFFFAOYSA-N 0 0 338.329 4.073 50 0 EIAARN CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)cc1 ZINC000078611608 564136438 /nfs/dbraw/zinc/13/64/38/564136438.db2.gz YWNQWWGNGNZZQD-IBGZPJMESA-N 0 0 347.418 4.051 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000078890580 564137303 /nfs/dbraw/zinc/13/73/03/564137303.db2.gz ZEDIJIINKPYJJO-IOHHAYIISA-N 0 0 347.890 4.119 50 0 EIAARN CCc1nc2ccccc2n1C1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000093299668 564137415 /nfs/dbraw/zinc/13/74/15/564137415.db2.gz XFFIXJHVPJEJMA-UHFFFAOYSA-N 0 0 338.455 4.041 50 0 EIAARN C[C@@H](C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1)n1ccnc1 ZINC000079073573 564137807 /nfs/dbraw/zinc/13/78/07/564137807.db2.gz RDDBNXWRGRKCHJ-MGPUTAFESA-N 0 0 345.402 4.096 50 0 EIAARN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(F)c1 ZINC000079072097 564137821 /nfs/dbraw/zinc/13/78/21/564137821.db2.gz VEKUYXZXJWSZDD-QGZVFWFLSA-N 0 0 327.403 4.088 50 0 EIAARN Cc1nc(CN(C)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cs1 ZINC000079121989 564137973 /nfs/dbraw/zinc/13/79/73/564137973.db2.gz MKEHTNDNKFLVBR-ZDUSSCGKSA-N 0 0 347.484 4.141 50 0 EIAARN C[C@@H]1CCN(C(=O)Nc2ccccc2N2CCc3sccc3C2)C1 ZINC000079335608 564138103 /nfs/dbraw/zinc/13/81/03/564138103.db2.gz SQLZHCRPBIEKJO-CQSZACIVSA-N 0 0 341.480 4.185 50 0 EIAARN CC(C)OCc1cccc(NC(=O)NCc2cc(C(C)C)no2)c1 ZINC000079350453 564138132 /nfs/dbraw/zinc/13/81/32/564138132.db2.gz FTFSCXIYSLIYPT-UHFFFAOYSA-N 0 0 331.416 4.045 50 0 EIAARN Cc1cc(C)nc(SCc2ccc(C(=O)NC3CCCCC3)o2)n1 ZINC000079474130 564138202 /nfs/dbraw/zinc/13/82/02/564138202.db2.gz XCQCJCFPOJBXNE-UHFFFAOYSA-N 0 0 345.468 4.041 50 0 EIAARN O=C(Cc1ccc2ccccc2c1)NCCc1ccc2ccccc2n1 ZINC000079605698 564138307 /nfs/dbraw/zinc/13/83/07/564138307.db2.gz KJKNBAMOWPMABE-UHFFFAOYSA-N 0 0 340.426 4.289 50 0 EIAARN Cc1noc(C)c1CCC(=O)N[C@H](c1ccsc1)c1cccs1 ZINC000390826276 564138464 /nfs/dbraw/zinc/13/84/64/564138464.db2.gz GVFHNSUGXUPQFV-QGZVFWFLSA-N 0 0 346.477 4.253 50 0 EIAARN COc1ccc(C(=O)N[C@@H](c2ccsc2)c2cccs2)cc1 ZINC000390827109 564138482 /nfs/dbraw/zinc/13/84/82/564138482.db2.gz UGNLGWWTWGXAQP-INIZCTEOSA-N 0 0 329.446 4.338 50 0 EIAARN CC[C@H](C)C(=O)N1CCC[C@H](c2nc([C@H]3CCC[C@@H](C)C3)no2)C1 ZINC000390833114 564138762 /nfs/dbraw/zinc/13/87/62/564138762.db2.gz CFKJAJQYJDHQNB-UGUYLWEFSA-N 0 0 333.476 4.115 50 0 EIAARN CCO[C@@H](C)c1ncc(-c2nc(-c3ccc(F)c(OC)c3)no2)s1 ZINC000390833679 564138808 /nfs/dbraw/zinc/13/88/08/564138808.db2.gz LIAXIDMQOHISQU-VIFPVBQESA-N 0 0 349.387 4.105 50 0 EIAARN O=C(c1cc(-c2ccccn2)no1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000390834389 564138920 /nfs/dbraw/zinc/13/89/20/564138920.db2.gz XUCICBKQUYQQDP-FMQWLBJXSA-N 0 0 345.402 4.055 50 0 EIAARN Clc1cncc(NCCOc2ccccc2-c2ccccc2)n1 ZINC000095377627 564139345 /nfs/dbraw/zinc/13/93/45/564139345.db2.gz FNBJGWIPYJCEHO-UHFFFAOYSA-N 0 0 325.799 4.288 50 0 EIAARN CNc1snc(C)c1C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000095377693 564139348 /nfs/dbraw/zinc/13/93/48/564139348.db2.gz PGOWNUQFZFLSJB-UHFFFAOYSA-N 0 0 346.481 4.479 50 0 EIAARN CC[C@@H](CCSc1ccccc1)NC(=O)c1cccc(OC)c1 ZINC000080345885 564139352 /nfs/dbraw/zinc/13/93/52/564139352.db2.gz WVJXHUCBJUUYQQ-INIZCTEOSA-N 0 0 329.465 4.386 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)NCCc2c[nH]c3cc(F)ccc23)C1(C)C ZINC000095392981 564139413 /nfs/dbraw/zinc/13/94/13/564139413.db2.gz CLKANWMSKSSLCR-WMZOPIPTSA-N 0 0 328.431 4.204 50 0 EIAARN Cc1nnc([C@@H](C)Nc2ccc(F)c(NC(=O)c3ccsc3)c2)o1 ZINC000095395901 564139469 /nfs/dbraw/zinc/13/94/69/564139469.db2.gz XJCAUBIWRDCMFG-SECBINFHSA-N 0 0 346.387 4.004 50 0 EIAARN CSc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccn2)o1 ZINC000095395596 564139470 /nfs/dbraw/zinc/13/94/70/564139470.db2.gz RNXGAJOSWDVYFK-KRWDZBQOSA-N 0 0 342.395 4.055 50 0 EIAARN Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1ccc(OC(C)C)cc1C ZINC000095399539 564139497 /nfs/dbraw/zinc/13/94/97/564139497.db2.gz AVHBOEAZGDPXAT-CYBMUJFWSA-N 0 0 345.443 4.140 50 0 EIAARN Cc1nnc(CN2CC[C@@H](c3cccc(Oc4ccccc4)c3)C2)o1 ZINC000095405400 564139577 /nfs/dbraw/zinc/13/95/77/564139577.db2.gz BJUOFCYDRSTVRE-QGZVFWFLSA-N 0 0 335.407 4.160 50 0 EIAARN Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 ZINC000095413277 564139695 /nfs/dbraw/zinc/13/96/95/564139695.db2.gz UJBRODXKVWCLAA-YOEHRIQHSA-N 0 0 346.427 4.009 50 0 EIAARN Cc1ccsc1[C@@H](C)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000095419869 564139880 /nfs/dbraw/zinc/13/98/80/564139880.db2.gz UQPFMVJBRHQYJZ-CZUORRHYSA-N 0 0 329.444 4.369 50 0 EIAARN O=C(N[C@H](CCO)C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000095426650 564140193 /nfs/dbraw/zinc/14/01/93/564140193.db2.gz ICINSIWSUACCAL-OAHLLOKOSA-N 0 0 330.255 4.055 50 0 EIAARN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCSc2ccc(Cl)cc21 ZINC000095423698 564140203 /nfs/dbraw/zinc/14/02/03/564140203.db2.gz CLJPYLSYYQAALQ-KBPBESRZSA-N 0 0 348.903 4.156 50 0 EIAARN CN(CCCn1ccnc1)C(=O)Nc1cccc(-c2ccsc2)c1 ZINC000095426823 564140206 /nfs/dbraw/zinc/14/02/06/564140206.db2.gz ZPZXDBFXIVJCNS-UHFFFAOYSA-N 0 0 340.452 4.166 50 0 EIAARN Cc1csc(CNc2cccc(COC[C@@H]3CCCCO3)c2)n1 ZINC000095428557 564140249 /nfs/dbraw/zinc/14/02/49/564140249.db2.gz LWZROLLGCVMLBC-KRWDZBQOSA-N 0 0 332.469 4.149 50 0 EIAARN C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1noc(-c2ccccc2)n1 ZINC000095428096 564140256 /nfs/dbraw/zinc/14/02/56/564140256.db2.gz NUANBCPFAZCTBF-MYODQAERSA-N 0 0 346.839 4.400 50 0 EIAARN C[S@@](=O)c1ccc(NCc2cc(Cl)cc3cccnc32)cc1 ZINC000095428775 564140260 /nfs/dbraw/zinc/14/02/60/564140260.db2.gz OIAQPZMTQDSWAP-QFIPXVFZSA-N 0 0 330.840 4.238 50 0 EIAARN CNC(=O)c1ccc(CNc2ccc(-c3ncc(C(C)C)o3)cc2)cc1 ZINC000095429217 564140298 /nfs/dbraw/zinc/14/02/98/564140298.db2.gz MUCXXWCZVWMPEC-UHFFFAOYSA-N 0 0 349.434 4.437 50 0 EIAARN COc1cccc2cc(CNc3cccc(C[S@](C)=O)c3C)oc21 ZINC000095429138 564140308 /nfs/dbraw/zinc/14/03/08/564140308.db2.gz MRBRGUQLRNABDT-XMMPIXPASA-N 0 0 343.448 4.240 50 0 EIAARN O=C(c1ccc(Cl)o1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000095434233 564140400 /nfs/dbraw/zinc/14/04/00/564140400.db2.gz PGQSRWLOXXITKX-QWHCGFSZSA-N 0 0 337.803 4.035 50 0 EIAARN C[C@H](NC(=O)c1cnoc1-c1ccccc1)C(C)(C)c1ccccc1 ZINC000095451518 564140583 /nfs/dbraw/zinc/14/05/83/564140583.db2.gz ZDSRQEJKXNKODZ-HNNXBMFYSA-N 0 0 334.419 4.438 50 0 EIAARN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1cccc(C(=O)N(C)C)c1 ZINC000095455781 564140645 /nfs/dbraw/zinc/14/06/45/564140645.db2.gz VBAOQHYUDALQEP-GJZGRUSLSA-N 0 0 340.442 4.035 50 0 EIAARN CC(C)(O)C(C)(C)NC(=O)Nc1sc2ccccc2c1Cl ZINC000095462223 564140853 /nfs/dbraw/zinc/14/08/53/564140853.db2.gz WSYHQRFFHGQVCB-UHFFFAOYSA-N 0 0 326.849 4.226 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1[C@@H](O)C(F)(F)F ZINC000095465500 564140963 /nfs/dbraw/zinc/14/09/63/564140963.db2.gz ZMTGXLLIJBTGQB-OAHLLOKOSA-N 0 0 343.732 4.117 50 0 EIAARN CC(C)Oc1ccccc1NC(=O)N(C[C@@H](C)O)C1CCCCC1 ZINC000095467056 564141100 /nfs/dbraw/zinc/14/11/00/564141100.db2.gz STPDAAQSBVVQCS-OAHLLOKOSA-N 0 0 334.460 4.021 50 0 EIAARN CC(C)CCNC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000095472278 564141263 /nfs/dbraw/zinc/14/12/63/564141263.db2.gz AZJIHPDEPLEHFN-KRWDZBQOSA-N 0 0 332.875 4.478 50 0 EIAARN Cc1noc(C)c1CCC(=O)Nc1cccc2c1ccn2C(C)C ZINC000095472756 564141288 /nfs/dbraw/zinc/14/12/88/564141288.db2.gz ZNCUXTSWAMXYFA-UHFFFAOYSA-N 0 0 325.412 4.398 50 0 EIAARN CC(C)n1cc(C(=O)NCc2nc3ccccc3n2C)c2ccccc21 ZINC000095473111 564141325 /nfs/dbraw/zinc/14/13/25/564141325.db2.gz FHNAMWYHCWVPHX-UHFFFAOYSA-N 0 0 346.434 4.039 50 0 EIAARN CC(C)n1cc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 ZINC000095473283 564141336 /nfs/dbraw/zinc/14/13/36/564141336.db2.gz DPMKDLGOCOHQMS-UHFFFAOYSA-N 0 0 332.407 4.029 50 0 EIAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ccccn1 ZINC000095476774 564141432 /nfs/dbraw/zinc/14/14/32/564141432.db2.gz MGAQZACKDRTMGR-INIZCTEOSA-N 0 0 339.826 4.349 50 0 EIAARN CC(C)n1ncc2c1NC(=O)CS[C@@H]2c1ccc(F)c(F)c1F ZINC000095479748 564141547 /nfs/dbraw/zinc/14/15/47/564141547.db2.gz KGORDTKVDUTWRO-CQSZACIVSA-N 0 0 341.358 4.306 50 0 EIAARN CCOC(=O)CC1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000095629286 564141705 /nfs/dbraw/zinc/14/17/05/564141705.db2.gz FEIHGGPBTCQGNI-UHFFFAOYSA-N 0 0 339.476 4.147 50 0 EIAARN COc1cccc(NC2CCN(c3cccc(F)c3C(C)=O)CC2)c1 ZINC000080678964 564141728 /nfs/dbraw/zinc/14/17/28/564141728.db2.gz HTMDSVRPGWLASI-UHFFFAOYSA-N 0 0 342.414 4.118 50 0 EIAARN C[C@@H](CNC(=O)c1csc(-c2ccsc2)n1)c1ccccc1 ZINC000007963122 564141816 /nfs/dbraw/zinc/14/18/16/564141816.db2.gz NLVRMMNMSJTGHQ-LBPRGKRZSA-N 0 0 328.462 4.405 50 0 EIAARN C[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccsc1 ZINC000125344172 564141819 /nfs/dbraw/zinc/14/18/19/564141819.db2.gz GDMSEECWCKZBHA-OLMNPRSZSA-N 0 0 344.480 4.071 50 0 EIAARN CO[C@@H](C)c1cccc(NC(=O)NC[C@@H](C)c2nc(C)cs2)c1 ZINC000095939108 564141963 /nfs/dbraw/zinc/14/19/63/564141963.db2.gz MBDMIBLYBUSVBC-YPMHNXCESA-N 0 0 333.457 4.084 50 0 EIAARN CN(C)C(=O)Cc1ccc(NCc2csc(C3CCCC3)n2)cc1 ZINC000095964697 564142881 /nfs/dbraw/zinc/14/28/81/564142881.db2.gz GNYXLZSBMNISEW-UHFFFAOYSA-N 0 0 343.496 4.044 50 0 EIAARN C[C@H]1CN(C(=O)Nc2cccc3[nH]ccc32)C[C@@H](c2ccsc2)O1 ZINC000095965907 564142929 /nfs/dbraw/zinc/14/29/29/564142929.db2.gz ZPLYABLGEGUCBY-SJCJKPOMSA-N 0 0 341.436 4.223 50 0 EIAARN c1cn2cc(CN[C@@H]3CC4(CCCC4)Oc4ccccc43)nc2s1 ZINC000095967476 564143098 /nfs/dbraw/zinc/14/30/98/564143098.db2.gz VFFHQRWNHCRVHV-MRXNPFEDSA-N 0 0 339.464 4.322 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)[C@@H]3OCCc4ccccc43)cc2)oc1C ZINC000095972774 564143436 /nfs/dbraw/zinc/14/34/36/564143436.db2.gz IJJUQJRYVHPFBN-LJQANCHMSA-N 0 0 348.402 4.211 50 0 EIAARN CC(C)CCO[C@@H]1CCN(C(=O)Nc2cccc(-c3ncco3)c2)C1 ZINC000095973978 564143506 /nfs/dbraw/zinc/14/35/06/564143506.db2.gz DXZKAJZVJSLSCB-QGZVFWFLSA-N 0 0 343.427 4.011 50 0 EIAARN CC(C)c1cccc(CN2c3cccc4cccc(c34)S2(=O)=O)n1 ZINC000095979983 564143677 /nfs/dbraw/zinc/14/36/77/564143677.db2.gz LFANHBRBZWMIKU-UHFFFAOYSA-N 0 0 338.432 4.067 50 0 EIAARN CC(C)(C)C[C@H](NC(=O)Cc1ccc(O)cc1Cl)C(F)(F)F ZINC000095994607 564144188 /nfs/dbraw/zinc/14/41/88/564144188.db2.gz XWEUFOJVCVFHJT-LBPRGKRZSA-N 0 0 337.769 4.071 50 0 EIAARN Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccccc2Cl)no1 ZINC000095998842 564144342 /nfs/dbraw/zinc/14/43/42/564144342.db2.gz WPJGLMPFZRYDET-CQSZACIVSA-N 0 0 334.807 4.181 50 0 EIAARN Cc1nnc([C@@H]2CCCN2C(=O)N(c2ccccc2)c2ccccc2)o1 ZINC000096007791 564144586 /nfs/dbraw/zinc/14/45/86/564144586.db2.gz CJXLFABIYNWKOE-SFHVURJKSA-N 0 0 348.406 4.473 50 0 EIAARN Cc1cccc2nc(CSCc3csc([C@@H]4CCCO4)n3)cn21 ZINC000096008433 564144604 /nfs/dbraw/zinc/14/46/04/564144604.db2.gz LIAHNMYMRJPZST-HNNXBMFYSA-N 0 0 345.493 4.384 50 0 EIAARN Cc1cc(Nc2cc(-c3ccccn3)nc(C)n2)nn1[C@@H](C)C1CC1 ZINC000096009792 564144667 /nfs/dbraw/zinc/14/46/67/564144667.db2.gz SMIHEUVKZBAJGI-ZDUSSCGKSA-N 0 0 334.427 4.067 50 0 EIAARN CO[C@H](CNC(=O)Cc1cccc2ccccc21)c1ccccc1C ZINC000096104982 564145335 /nfs/dbraw/zinc/14/53/35/564145335.db2.gz ZZXUSZYMVXZFJH-OAQYLSRUSA-N 0 0 333.431 4.195 50 0 EIAARN O=C(N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21)c1ccccn1 ZINC000096118009 564145499 /nfs/dbraw/zinc/14/54/99/564145499.db2.gz VKQZMWPMATVJTE-AWEZNQCLSA-N 0 0 325.799 4.024 50 0 EIAARN CC[C@@H](C)Oc1cccc(NC(=O)N(C)Cc2csc(C)n2)c1 ZINC000096134105 564145761 /nfs/dbraw/zinc/14/57/61/564145761.db2.gz ZYRQOQCFDQPXKQ-GFCCVEGCSA-N 0 0 333.457 4.293 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000096134066 564145774 /nfs/dbraw/zinc/14/57/74/564145774.db2.gz OFUSLJNDQMXLQI-UHFFFAOYSA-N 0 0 342.439 4.322 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2Cl)cc2c1N(C)C(=O)C2(C)C ZINC000096182147 564145824 /nfs/dbraw/zinc/14/58/24/564145824.db2.gz CIVKQGNYRCFYHM-UHFFFAOYSA-N 0 0 342.826 4.155 50 0 EIAARN CCOc1ccc(NC(=O)CCn2ncc3ccc(Cl)cc32)cc1 ZINC000096181979 564145826 /nfs/dbraw/zinc/14/58/26/564145826.db2.gz VIJUHYGPZURXEP-UHFFFAOYSA-N 0 0 343.814 4.117 50 0 EIAARN COc1ccc(NC(=O)CCn2ncc3ccc(Cl)cc32)c(C)c1 ZINC000096181983 564145832 /nfs/dbraw/zinc/14/58/32/564145832.db2.gz QMZCOBVEJULPCR-UHFFFAOYSA-N 0 0 343.814 4.036 50 0 EIAARN O=C(NCc1ccccc1F)c1ccc(Oc2cccc(F)c2)o1 ZINC000096183902 564145884 /nfs/dbraw/zinc/14/58/84/564145884.db2.gz BBPYQGZRMWZZDQ-UHFFFAOYSA-N 0 0 329.302 4.280 50 0 EIAARN CC(C)Cc1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCC2 ZINC000096232081 564146092 /nfs/dbraw/zinc/14/60/92/564146092.db2.gz OGEISSLRYKKGKM-UHFFFAOYSA-N 0 0 341.889 4.193 50 0 EIAARN Cn1ccc2c1cccc2C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000096231945 564146113 /nfs/dbraw/zinc/14/61/13/564146113.db2.gz TWSLBFWIEFHJPZ-IBGZPJMESA-N 0 0 344.418 4.032 50 0 EIAARN Cc1ccc(-c2noc(CCN(C(=O)c3ccccc3)C(C)C)n2)cc1 ZINC000096279012 564146342 /nfs/dbraw/zinc/14/63/42/564146342.db2.gz AAZBAPNDVNANOA-UHFFFAOYSA-N 0 0 349.434 4.138 50 0 EIAARN Fc1ccc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)cc1 ZINC000096345311 564146800 /nfs/dbraw/zinc/14/68/00/564146800.db2.gz WZXLLIQOJSNRLF-UHFFFAOYSA-N 0 0 344.349 4.267 50 0 EIAARN CO[C@H](CNC(=O)c1cc2ccccc2s1)c1ccc(C)s1 ZINC000096385912 564146949 /nfs/dbraw/zinc/14/69/49/564146949.db2.gz VCWYPKJYZMACRG-CYBMUJFWSA-N 0 0 331.462 4.389 50 0 EIAARN CO[C@@](C)(CNC(=O)c1cc2ccccc2s1)c1ccccc1F ZINC000096391043 564147003 /nfs/dbraw/zinc/14/70/03/564147003.db2.gz RDFOHIDIXXLWKH-IBGZPJMESA-N 0 0 343.423 4.332 50 0 EIAARN Cc1sc2ncnc(Sc3nnc(C4CC4)n3C3CC3)c2c1C ZINC000096402269 564147118 /nfs/dbraw/zinc/14/71/18/564147118.db2.gz FUMKHRDKYQYMCU-UHFFFAOYSA-N 0 0 343.481 4.263 50 0 EIAARN C[C@H](c1ccc(F)cc1)[S@](=O)Cc1cccc(OC(F)F)c1 ZINC000096404448 564147272 /nfs/dbraw/zinc/14/72/72/564147272.db2.gz MALOSUVOIPQDQK-XFNZEKPQSA-N 0 0 328.355 4.437 50 0 EIAARN O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC(OC2CCCC2)CC1 ZINC000096407215 564147392 /nfs/dbraw/zinc/14/73/92/564147392.db2.gz DPRPQJGLCNGKOX-HZPDHXFCSA-N 0 0 349.421 4.019 50 0 EIAARN O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1CCC(OC2CCCC2)CC1 ZINC000096407213 564147401 /nfs/dbraw/zinc/14/74/01/564147401.db2.gz DPRPQJGLCNGKOX-CVEARBPZSA-N 0 0 349.421 4.019 50 0 EIAARN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCc2ccccc2)c1 ZINC000096407776 564147427 /nfs/dbraw/zinc/14/74/27/564147427.db2.gz NWQHIRLWNAWYSH-XMMPIXPASA-N 0 0 344.480 4.056 50 0 EIAARN CC[C@@H](C)CN(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000096407984 564147433 /nfs/dbraw/zinc/14/74/33/564147433.db2.gz MGLULQODDPTCIQ-FATZIPQQSA-N 0 0 338.517 4.244 50 0 EIAARN Cc1c(C[S@](C)=O)cccc1NC(=O)CCc1cccc(Cl)c1 ZINC000096408323 564147486 /nfs/dbraw/zinc/14/74/86/564147486.db2.gz YEDWBRWGHWYESH-HSZRJFAPSA-N 0 0 349.883 4.098 50 0 EIAARN Cc1nc(CC(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)cs1 ZINC000096408350 564147499 /nfs/dbraw/zinc/14/74/99/564147499.db2.gz MXYJODYJULURBZ-UHFFFAOYSA-N 0 0 341.436 4.411 50 0 EIAARN C[S@@](=O)c1cccc(NC(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000096413416 564147622 /nfs/dbraw/zinc/14/76/22/564147622.db2.gz NMSCTQDTHASPSK-FYSMJZIKSA-N 0 0 346.452 4.166 50 0 EIAARN Cc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)noc2C)o1 ZINC000096414208 564147656 /nfs/dbraw/zinc/14/76/56/564147656.db2.gz RWGCQZODXDJSOX-QGZVFWFLSA-N 0 0 330.428 4.269 50 0 EIAARN CSC[C@@H]1CCN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000096417930 564147840 /nfs/dbraw/zinc/14/78/40/564147840.db2.gz KYKUNVNRXWNZPR-SNVBAGLBSA-N 0 0 332.441 4.218 50 0 EIAARN CCOCc1ccccc1NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000096418000 564147851 /nfs/dbraw/zinc/14/78/51/564147851.db2.gz CZBACOANCGQJRY-UHFFFAOYSA-N 0 0 328.387 4.173 50 0 EIAARN CCOCc1ccccc1NC(=O)N[C@@](C)(CC)c1nccs1 ZINC000096418001 564147863 /nfs/dbraw/zinc/14/78/63/564147863.db2.gz NIBDMJKVYKHWSS-KRWDZBQOSA-N 0 0 333.457 4.127 50 0 EIAARN O=C(CC1CCSCC1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000096475218 564148366 /nfs/dbraw/zinc/14/83/66/564148366.db2.gz UKNZNDDCJZDONM-UHFFFAOYSA-N 0 0 344.455 4.287 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000027917795 564149654 /nfs/dbraw/zinc/14/96/54/564149654.db2.gz SLSHFSJYQMNMOR-UHFFFAOYSA-N 0 0 342.786 4.178 50 0 EIAARN Cc1ccc2nc(-c3cccnc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000002468848 564149670 /nfs/dbraw/zinc/14/96/70/564149670.db2.gz VUYXOBFHLJVYNA-UHFFFAOYSA-N 0 0 344.374 4.177 50 0 EIAARN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccoc1C1CC1 ZINC000225589656 564149845 /nfs/dbraw/zinc/14/98/45/564149845.db2.gz MFWNTSDDZXLJTF-LSDHHAIUSA-N 0 0 333.334 4.044 50 0 EIAARN O=C(CCc1cccc(Cl)c1)NCc1cccnc1-c1ccco1 ZINC000225660851 564150181 /nfs/dbraw/zinc/15/01/81/564150181.db2.gz KPRCKUNUSVREMD-UHFFFAOYSA-N 0 0 340.810 4.244 50 0 EIAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@H]1Cc1ccccc1Cl ZINC000055524175 564150236 /nfs/dbraw/zinc/15/02/36/564150236.db2.gz CAVHBVIRTCBCDF-AWEZNQCLSA-N 0 0 339.826 4.064 50 0 EIAARN O=C(NC[C@@H](O)c1csc2ccccc21)c1ccc(Cl)s1 ZINC000225692357 564150315 /nfs/dbraw/zinc/15/03/15/564150315.db2.gz JMHLLASMDQWJQO-LLVKDONJSA-N 0 0 337.853 4.080 50 0 EIAARN Cc1ccccc1NC(=O)NC[C@@H](O)c1csc2ccccc21 ZINC000225699095 564150337 /nfs/dbraw/zinc/15/03/37/564150337.db2.gz XTZNQQZTWOIAJS-MRXNPFEDSA-N 0 0 326.421 4.065 50 0 EIAARN Cc1occc1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000055646986 564150441 /nfs/dbraw/zinc/15/04/41/564150441.db2.gz XVGDBBAKMYFEKR-AWEZNQCLSA-N 0 0 336.391 4.053 50 0 EIAARN O=C(NCc1ccccc1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000028229734 564150771 /nfs/dbraw/zinc/15/07/71/564150771.db2.gz NJXMMTFZPWVSKV-UHFFFAOYSA-N 0 0 347.414 4.277 50 0 EIAARN Cc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)no1 ZINC000055879568 564150962 /nfs/dbraw/zinc/15/09/62/564150962.db2.gz IRMUEHUOYSYPLD-LBPRGKRZSA-N 0 0 347.846 4.263 50 0 EIAARN Cc1cc(/C=C/C(=O)NC[C@H]2CCCOC2)c(C)n1C1CCCCC1 ZINC000055922541 564150979 /nfs/dbraw/zinc/15/09/79/564150979.db2.gz 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/nfs/dbraw/zinc/15/19/44/564151944.db2.gz DOXKULISCKKJSJ-UHFFFAOYSA-N 0 0 334.441 4.202 50 0 EIAARN Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)ccc2[nH]1 ZINC000056309642 564152136 /nfs/dbraw/zinc/15/21/36/564152136.db2.gz PDHQOMJLRIMDAB-NEPJUHHUSA-N 0 0 325.334 4.179 50 0 EIAARN COc1ccc(C(=O)NCCSc2c(C)[nH]c3ccccc32)cc1 ZINC000002721050 564152245 /nfs/dbraw/zinc/15/22/45/564152245.db2.gz RELXWDYOTFKFDY-UHFFFAOYSA-N 0 0 340.448 4.007 50 0 EIAARN CN(C(=O)COc1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000002725772 564152309 /nfs/dbraw/zinc/15/23/09/564152309.db2.gz JETXAOXSSIRKBA-UHFFFAOYSA-N 0 0 349.405 4.453 50 0 EIAARN C[C@H](C(=O)NC1CCCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002778336 564152583 /nfs/dbraw/zinc/15/25/83/564152583.db2.gz JJCPZNYBOXYIHL-MRVPVSSYSA-N 0 0 349.784 4.053 50 0 EIAARN CC(C)[C@@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000056765023 564152976 /nfs/dbraw/zinc/15/29/76/564152976.db2.gz VSPZBXDCLIZXNC-LLVKDONJSA-N 0 0 349.818 4.351 50 0 EIAARN 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564160159 /nfs/dbraw/zinc/16/01/59/564160159.db2.gz BYSRPXRULVBPQW-GFCCVEGCSA-N 0 0 325.799 4.045 50 0 EIAARN CCCCSc1nnc(NC(=O)c2c(F)cccc2Cl)s1 ZINC000004079482 564160393 /nfs/dbraw/zinc/16/03/93/564160393.db2.gz FEUAHRMYWFLHSA-UHFFFAOYSA-N 0 0 345.852 4.475 50 0 EIAARN COc1ccc([C@@H]2Cc3oc(C(=O)OC(C)C)c(C)c3C(=O)C2)cc1 ZINC000004087549 564160461 /nfs/dbraw/zinc/16/04/61/564160461.db2.gz UHFXMPVUNSPYSV-AWEZNQCLSA-N 0 0 342.391 4.075 50 0 biogenic EIAARN Cc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000004086587 564160473 /nfs/dbraw/zinc/16/04/73/564160473.db2.gz PYCBHLJVFAFOOE-UHFFFAOYSA-N 0 0 341.461 4.391 50 0 EIAARN CCc1ccc(OCCNC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000004118927 564160658 /nfs/dbraw/zinc/16/06/58/564160658.db2.gz OTLYTHPURSBPIW-UHFFFAOYSA-N 0 0 349.883 4.190 50 0 EIAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2cccc(F)c2)c1 ZINC000004120314 564160711 /nfs/dbraw/zinc/16/07/11/564160711.db2.gz IWPFEWCWNIRNTA-UHFFFAOYSA-N 0 0 342.439 4.188 50 0 EIAARN Cc1ccc(CSC2=NCCN2C(=O)c2c(F)cccc2F)cc1 ZINC000004120382 564160729 /nfs/dbraw/zinc/16/07/29/564160729.db2.gz KJCUMBOQRKPFTP-UHFFFAOYSA-N 0 0 346.402 4.018 50 0 EIAARN Cc1cccc(CSC2=NCCN2C(=O)c2ccccc2Cl)c1 ZINC000004120202 564160734 /nfs/dbraw/zinc/16/07/34/564160734.db2.gz ORSUKJUIJIMHCB-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN O=C(CCn1c(=O)sc2ccccc21)Nc1ccc2ccccc2c1 ZINC000004121600 564160752 /nfs/dbraw/zinc/16/07/52/564160752.db2.gz PFRXKGHUBZMKFB-UHFFFAOYSA-N 0 0 348.427 4.245 50 0 EIAARN Cc1cc2cc(CNC(=O)c3cccc(Br)c3)ccc2[nH]1 ZINC000004138048 564160851 /nfs/dbraw/zinc/16/08/51/564160851.db2.gz HJCUIGLUMJDYSC-UHFFFAOYSA-N 0 0 343.224 4.169 50 0 EIAARN CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)OC)cc2oc1=O ZINC000004151894 564160944 /nfs/dbraw/zinc/16/09/44/564160944.db2.gz WNTZREHBSYHJTF-CQSZACIVSA-N 0 0 346.423 4.165 50 0 EIAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1 ZINC000004176288 564161035 /nfs/dbraw/zinc/16/10/35/564161035.db2.gz RUOXKBQTVDHFDT-UHFFFAOYSA-N 0 0 337.400 4.454 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCc2ccccc21 ZINC000007989358 564161974 /nfs/dbraw/zinc/16/19/74/564161974.db2.gz LPSIRBMMUPUYLW-UHFFFAOYSA-N 0 0 345.446 4.011 50 0 EIAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(Cl)ccn1 ZINC000007990006 564161983 /nfs/dbraw/zinc/16/19/83/564161983.db2.gz LVGGYGAENGIQSS-UHFFFAOYSA-N 0 0 329.614 4.314 50 0 EIAARN CN(C(=O)c1cnn(C)c1C(F)F)c1ccccc1-c1ccccc1 ZINC000066337725 564162038 /nfs/dbraw/zinc/16/20/38/564162038.db2.gz VQDCNRXIKKUUBD-UHFFFAOYSA-N 0 0 341.361 4.301 50 0 EIAARN CCCCNc1nc2ccccc2n1CC(=O)c1cc(C)n(C)c1C ZINC000008013063 564162128 /nfs/dbraw/zinc/16/21/28/564162128.db2.gz ARHAFSNXGXGEHQ-UHFFFAOYSA-N 0 0 338.455 4.087 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2c(s1)CCCCC2 ZINC000008039646 564162326 /nfs/dbraw/zinc/16/23/26/564162326.db2.gz RFRUMFWOYCXYOF-UHFFFAOYSA-N 0 0 338.476 4.471 50 0 EIAARN COc1ccc(OC)c(-c2csc(COc3ccccc3)n2)c1 ZINC000008042350 564162386 /nfs/dbraw/zinc/16/23/86/564162386.db2.gz IBNAKTRFZAIAOZ-UHFFFAOYSA-N 0 0 327.405 4.406 50 0 EIAARN Cc1nc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2nc1C ZINC000008060911 564162453 /nfs/dbraw/zinc/16/24/53/564162453.db2.gz RWNKXGCFXYYMQL-UHFFFAOYSA-N 0 0 329.762 4.291 50 0 EIAARN CC(C)c1ccc([C@@H](O)Cn2nc(N3CCCC3)sc2=S)cc1 ZINC000066483723 564162610 /nfs/dbraw/zinc/16/26/10/564162610.db2.gz OHEZMBHULNSAOG-HNNXBMFYSA-N 0 0 349.525 4.131 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000008108600 564162723 /nfs/dbraw/zinc/16/27/23/564162723.db2.gz SOIZXXKZEWRCSI-HNNXBMFYSA-N 0 0 325.408 4.419 50 0 EIAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)C2CC2)c1 ZINC000008132176 564163043 /nfs/dbraw/zinc/16/30/43/564163043.db2.gz IFCGPACCVWYJHK-INIZCTEOSA-N 0 0 345.446 4.376 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NCCc3ccco3)c3ccccc3n2)o1 ZINC000008134033 564163120 /nfs/dbraw/zinc/16/31/20/564163120.db2.gz WGXVPOSIZLNGCZ-UHFFFAOYSA-N 0 0 346.386 4.369 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000263536952 564163326 /nfs/dbraw/zinc/16/33/26/564163326.db2.gz ZVSPQHSVBITLPQ-ONERCXAPSA-N 0 0 345.336 4.062 50 0 EIAARN O=C(CN1CCc2ccccc21)Nc1ccc(N2CCCCCC2)cc1 ZINC000008192457 564163491 /nfs/dbraw/zinc/16/34/91/564163491.db2.gz VYGBDWGXFQHADI-UHFFFAOYSA-N 0 0 349.478 4.068 50 0 EIAARN COc1cccc(CCC(=O)N2CCC[C@@H]2c2cccs2)c1OC ZINC000008230584 564163655 /nfs/dbraw/zinc/16/36/55/564163655.db2.gz NGSPDMNUTPWBLT-OAHLLOKOSA-N 0 0 345.464 4.062 50 0 EIAARN CC[C@@H](C)n1nccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000066661689 564163760 /nfs/dbraw/zinc/16/37/60/564163760.db2.gz BPYADIGHEXHBLS-LLVKDONJSA-N 0 0 344.802 4.415 50 0 EIAARN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000008267809 564163889 /nfs/dbraw/zinc/16/38/89/564163889.db2.gz CGSCAGIEIYXAOJ-CHWSQXEVSA-N 0 0 341.282 4.444 50 0 EIAARN CN(Cc1ccco1)C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000008272415 564163929 /nfs/dbraw/zinc/16/39/29/564163929.db2.gz IGJSYAVDRVSLBY-UHFFFAOYSA-N 0 0 332.359 4.360 50 0 EIAARN O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(F)cc1Cl ZINC000008320427 564164285 /nfs/dbraw/zinc/16/42/85/564164285.db2.gz WMWMZPBZIDEEOJ-CQSZACIVSA-N 0 0 338.835 4.316 50 0 EIAARN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000263573822 564164371 /nfs/dbraw/zinc/16/43/71/564164371.db2.gz MXFCRKCFGCIYFC-QGZVFWFLSA-N 0 0 329.827 4.245 50 0 EIAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008327438 564164460 /nfs/dbraw/zinc/16/44/60/564164460.db2.gz WVNOCKDZGMOKKP-AEFFLSMTSA-N 0 0 349.478 4.402 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(F)cc1 ZINC000008330141 564164533 /nfs/dbraw/zinc/16/45/33/564164533.db2.gz FVDPPKAKXLOBRM-UHFFFAOYSA-N 0 0 341.357 4.474 50 0 EIAARN COc1cccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000008331738 564164547 /nfs/dbraw/zinc/16/45/47/564164547.db2.gz QPWKDYIOUWIABV-UHFFFAOYSA-N 0 0 328.170 4.071 50 0 EIAARN O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc2ccccc2c1 ZINC000008342996 564164615 /nfs/dbraw/zinc/16/46/15/564164615.db2.gz BQKHXYFJZXGUAX-UHFFFAOYSA-N 0 0 337.322 4.058 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)CCc3c(C)noc3C)c2)cs1 ZINC000008342624 564164652 /nfs/dbraw/zinc/16/46/52/564164652.db2.gz MTJMOUITGKZDKE-UHFFFAOYSA-N 0 0 341.436 4.295 50 0 EIAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000008355657 564164699 /nfs/dbraw/zinc/16/46/99/564164699.db2.gz GRQHCDMGHCYRGA-CQSZACIVSA-N 0 0 339.435 4.074 50 0 EIAARN C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccn1 ZINC000008393838 564165032 /nfs/dbraw/zinc/16/50/32/564165032.db2.gz CVJYKXXBWAHORG-GFCCVEGCSA-N 0 0 336.416 4.194 50 0 EIAARN O=C1CCCC[C@@H]1Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000008393224 564165036 /nfs/dbraw/zinc/16/50/36/564165036.db2.gz RMJUVQOKYWSANK-LBPRGKRZSA-N 0 0 326.343 4.252 50 0 EIAARN O=C(NCc1cccnc1OC1CCCC1)c1sccc1C1CC1 ZINC000067163546 564165199 /nfs/dbraw/zinc/16/51/99/564165199.db2.gz XLJJNVINDDFITM-UHFFFAOYSA-N 0 0 342.464 4.272 50 0 EIAARN Cc1occc1-c1nnc(SCCOc2cccc(Cl)c2)n1C ZINC000008428797 564165282 /nfs/dbraw/zinc/16/52/82/564165282.db2.gz WTRQHGDPKYSNLP-UHFFFAOYSA-N 0 0 349.843 4.208 50 0 EIAARN CCOc1ccccc1Nc1cc(C(=O)OC)nc2ccc(C)cc21 ZINC000038652104 564165380 /nfs/dbraw/zinc/16/53/80/564165380.db2.gz RYPSDIIKCMQKQJ-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN Cc1cccc(NC(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)c1C ZINC000038652358 564165396 /nfs/dbraw/zinc/16/53/96/564165396.db2.gz DMVNTZNCOQXXOL-UHFFFAOYSA-N 0 0 341.802 4.071 50 0 EIAARN Cc1ccc(SCCNC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000008492862 564165445 /nfs/dbraw/zinc/16/54/45/564165445.db2.gz ZXUDWFSCSNBYDS-UHFFFAOYSA-N 0 0 329.465 4.304 50 0 EIAARN c1coc(-c2cc(CSc3n[nH]c(-c4cccs4)n3)no2)c1 ZINC000008528166 564165592 /nfs/dbraw/zinc/16/55/92/564165592.db2.gz QQLWZTMJPUEKMC-UHFFFAOYSA-N 0 0 330.394 4.074 50 0 EIAARN CC(C)(C)c1ccc(CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 ZINC000008587323 564165911 /nfs/dbraw/zinc/16/59/11/564165911.db2.gz KQZWJHUOAJXPAP-UHFFFAOYSA-N 0 0 328.481 4.239 50 0 EIAARN Cc1cccc(OC(=O)CSc2nnc(-c3cccs3)o2)c1C ZINC000008587392 564165917 /nfs/dbraw/zinc/16/59/17/564165917.db2.gz UOHCVHZDDISLJN-UHFFFAOYSA-N 0 0 346.433 4.113 50 0 EIAARN CN(CCc1ccccn1)c1nc(-c2cccs2)nc2ccccc21 ZINC000008726373 564166985 /nfs/dbraw/zinc/16/69/85/564166985.db2.gz MRMOVPHLMYDISL-UHFFFAOYSA-N 0 0 346.459 4.432 50 0 EIAARN Cc1occc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000008724815 564167009 /nfs/dbraw/zinc/16/70/09/564167009.db2.gz ICMLIBRFKRMSGA-UHFFFAOYSA-N 0 0 341.367 4.356 50 0 EIAARN CC(C)c1nnc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000008769687 564167393 /nfs/dbraw/zinc/16/73/93/564167393.db2.gz JNYRHRCJDYTZLT-IWERZKIRSA-N 0 0 333.501 4.194 50 0 EIAARN Cc1cc(C)c2oc(C(=O)N3CCCc4ccccc43)cc(=O)c2c1 ZINC000008843779 564167458 /nfs/dbraw/zinc/16/74/58/564167458.db2.gz LQJYJJFYWRRZMI-UHFFFAOYSA-N 0 0 333.387 4.003 50 0 EIAARN C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cnc2ccccc2c1O ZINC000068933347 564167821 /nfs/dbraw/zinc/16/78/21/564167821.db2.gz JWJSLKXPQPFMPC-OAHLLOKOSA-N 0 0 348.446 4.014 50 0 EIAARN CCOc1ccc(-c2noc(CNc3ccc(C)cc3F)n2)cc1 ZINC000040071582 564167904 /nfs/dbraw/zinc/16/79/04/564167904.db2.gz ZGSKJZVNKHUYSL-UHFFFAOYSA-N 0 0 327.359 4.195 50 0 EIAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1nncs1 ZINC000040095144 564167985 /nfs/dbraw/zinc/16/79/85/564167985.db2.gz NFCJBSSSYYMFQX-UHFFFAOYSA-N 0 0 348.815 4.115 50 0 EIAARN Cc1c2ccccc2oc1-c1csc(CCN2CCCC2=O)n1 ZINC000040091369 564167996 /nfs/dbraw/zinc/16/79/96/564167996.db2.gz IUWPPLQLIFHSPH-UHFFFAOYSA-N 0 0 326.421 4.030 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000040103243 564168056 /nfs/dbraw/zinc/16/80/56/564168056.db2.gz IOANEIPZLFEMKF-UWVGGRQHSA-N 0 0 332.778 4.451 50 0 EIAARN CCCCNc1nnc(SCC(=O)c2ccc3c(c2)CCC3)s1 ZINC000008941108 564168131 /nfs/dbraw/zinc/16/81/31/564168131.db2.gz PCCUVPMSJKTWKU-UHFFFAOYSA-N 0 0 347.509 4.214 50 0 EIAARN Cc1c(C(=O)N(Cc2ccccc2F)C2CC2)oc2c1C(=O)CCC2 ZINC000040131312 564168281 /nfs/dbraw/zinc/16/82/81/564168281.db2.gz GPCXEKYPMYHXQV-UHFFFAOYSA-N 0 0 341.382 4.051 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2c(Cl)c3ccccc3n2C)c1 ZINC000040143367 564168349 /nfs/dbraw/zinc/16/83/49/564168349.db2.gz XMQFOOBOEZRMPY-UHFFFAOYSA-N 0 0 344.798 4.101 50 0 EIAARN O=C(Nc1cccc(-c2nccs2)c1)c1cc2ccccc2oc1=O ZINC000040151070 564168372 /nfs/dbraw/zinc/16/83/72/564168372.db2.gz WOQZRHICRNYWMW-UHFFFAOYSA-N 0 0 348.383 4.169 50 0 EIAARN Cc1[nH]c2ccccc2c1-c1nc(NC[C@H]2CCCO2)sc1C ZINC000008987582 564168470 /nfs/dbraw/zinc/16/84/70/564168470.db2.gz NSXSJABWRXHPSQ-CYBMUJFWSA-N 0 0 327.453 4.499 50 0 EIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)COc1ccc(Cl)cc1 ZINC000244955800 564168552 /nfs/dbraw/zinc/16/85/52/564168552.db2.gz GAGWVIDWJMILIP-CYBMUJFWSA-N 0 0 343.810 4.212 50 0 EIAARN CCC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000009112201 564169020 /nfs/dbraw/zinc/16/90/20/564169020.db2.gz CLMHCIQCZFZXTR-IBGZPJMESA-N 0 0 336.435 4.101 50 0 EIAARN C[C@@H](O)CNc1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000069383434 564169073 /nfs/dbraw/zinc/16/90/73/564169073.db2.gz JVQPYZZKKNMOFX-LLVKDONJSA-N 0 0 325.437 4.028 50 0 EIAARN CC(C)Oc1ccccc1CC(=O)N([C@H](C)c1ccccn1)C1CC1 ZINC000069387944 564169113 /nfs/dbraw/zinc/16/91/13/564169113.db2.gz YFDGTTRAUGOYSH-MRXNPFEDSA-N 0 0 338.451 4.164 50 0 EIAARN CC(=O)c1c(C)cc(C)c(CNc2ccc(C(=O)N(C)C)cc2)c1C ZINC000040473366 564169755 /nfs/dbraw/zinc/16/97/55/564169755.db2.gz IZPOGGHRPBOKNO-UHFFFAOYSA-N 0 0 338.451 4.128 50 0 EIAARN CCOC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 ZINC000009134662 564170385 /nfs/dbraw/zinc/17/03/85/564170385.db2.gz RLHBXNGNLUURTN-UHFFFAOYSA-N 0 0 326.352 4.027 50 0 EIAARN CCOc1cccc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc21 ZINC000009187376 564171006 /nfs/dbraw/zinc/17/10/06/564171006.db2.gz HOUWXRHCPIQPBM-UHFFFAOYSA-N 0 0 334.375 4.352 50 0 EIAARN COc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2F)c1 ZINC000009204992 564171137 /nfs/dbraw/zinc/17/11/37/564171137.db2.gz WWZSFSIYPRFCCH-UHFFFAOYSA-N 0 0 339.366 4.270 50 0 EIAARN Cc1cc(C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000009245006 564171731 /nfs/dbraw/zinc/17/17/31/564171731.db2.gz QRQCPXHQWQCVQG-UHFFFAOYSA-N 0 0 343.370 4.431 50 0 EIAARN Cc1nc2cc(C)c(C)cc2n1CC(=O)N(CC(C)C)CC(C)C ZINC000009250286 564171813 /nfs/dbraw/zinc/17/18/13/564171813.db2.gz ZQDHEJDRKDKICT-UHFFFAOYSA-N 0 0 329.488 4.102 50 0 EIAARN CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)C1CCCC1 ZINC000009265501 564172068 /nfs/dbraw/zinc/17/20/68/564172068.db2.gz FXOUZRKGEYZEGW-UHFFFAOYSA-N 0 0 328.412 4.044 50 0 EIAARN O=c1[nH]c2cccc3c2c(c1Nc1ccccc1)-c1ccccc1C3=O ZINC000009271796 564172197 /nfs/dbraw/zinc/17/21/97/564172197.db2.gz PJPJOPIMRUHJSL-UHFFFAOYSA-N 0 0 338.366 4.483 50 0 biogenic EIAARN Cc1cc(C)c(Nc2c(=O)c(=O)c2-c2ccc(Cl)cc2)c(C)c1 ZINC000009273460 564172216 /nfs/dbraw/zinc/17/22/16/564172216.db2.gz YLOYHUFXLJSZKT-UHFFFAOYSA-N 0 0 325.795 4.272 50 0 EIAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1ccccc1C(C)(C)C ZINC000069844802 564172491 /nfs/dbraw/zinc/17/24/91/564172491.db2.gz BHGCHMVFTBJBFN-LBPRGKRZSA-N 0 0 328.460 4.217 50 0 EIAARN CSc1nsc(NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000009337542 564172727 /nfs/dbraw/zinc/17/27/27/564172727.db2.gz UQLGCIWABUYIJO-UHFFFAOYSA-N 0 0 341.461 4.031 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000009335587 564172771 /nfs/dbraw/zinc/17/27/71/564172771.db2.gz QFALERBJCMEATM-UHFFFAOYSA-N 0 0 330.387 4.149 50 0 EIAARN Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000173783071 564172822 /nfs/dbraw/zinc/17/28/22/564172822.db2.gz ZLMCOBFXFKNILP-ZDUSSCGKSA-N 0 0 338.329 4.065 50 0 EIAARN CCCCOc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1 ZINC000041155749 564173542 /nfs/dbraw/zinc/17/35/42/564173542.db2.gz RMBLVTAXCHANHN-OAHLLOKOSA-N 0 0 325.408 4.293 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000009421095 564173657 /nfs/dbraw/zinc/17/36/57/564173657.db2.gz PDNKWZNAHZCVBJ-INIZCTEOSA-N 0 0 325.799 4.194 50 0 EIAARN CC(C)CC[C@]1(CC(=O)NCc2cccnc2)CCO[C@H](C(C)C)C1 ZINC000009423640 564173687 /nfs/dbraw/zinc/17/36/87/564173687.db2.gz WKIGNWKCNUIPNI-FPOVZHCZSA-N 0 0 346.515 4.346 50 0 EIAARN Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1NC(=O)c1ccco1 ZINC000009447738 564173701 /nfs/dbraw/zinc/17/37/01/564173701.db2.gz TTZWWWKKHBTNBY-UHFFFAOYSA-N 0 0 348.402 4.113 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Nc1ccccc1N1CCCC1=O ZINC000009458921 564173757 /nfs/dbraw/zinc/17/37/57/564173757.db2.gz MEJZYWIIIINXCM-UHFFFAOYSA-N 0 0 334.375 4.120 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1oc2c(c1C)[C@@H](O)CC(C)(C)C2 ZINC000009484431 564173894 /nfs/dbraw/zinc/17/38/94/564173894.db2.gz HVTFHYOABUSGBA-AWEZNQCLSA-N 0 0 343.423 4.163 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000009515015 564173996 /nfs/dbraw/zinc/17/39/96/564173996.db2.gz KBNLDXPGUZATGU-UHFFFAOYSA-N 0 0 333.435 4.198 50 0 EIAARN Cc1ccc(CSc2nccn(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000009639788 564174378 /nfs/dbraw/zinc/17/43/78/564174378.db2.gz GYHFHCCXSJVPTR-UHFFFAOYSA-N 0 0 342.851 4.487 50 0 EIAARN Cc1ccc(F)c(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 ZINC000009677779 564174430 /nfs/dbraw/zinc/17/44/30/564174430.db2.gz OOOCVRFAAPNTQC-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN COc1ccc(CN(C)C(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000009699480 564174475 /nfs/dbraw/zinc/17/44/75/564174475.db2.gz ZJBALXFQVZIXDP-RCCKNPSSSA-N 0 0 347.414 4.487 50 0 EIAARN Cc1cccc(Cn2cccc2CNC(=O)Nc2ccc(F)cc2)c1 ZINC000009722138 564174504 /nfs/dbraw/zinc/17/45/04/564174504.db2.gz YLMUOZDUERLRNH-UHFFFAOYSA-N 0 0 337.398 4.306 50 0 EIAARN Cc1ccc(NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1Cl ZINC000009728259 564174541 /nfs/dbraw/zinc/17/45/41/564174541.db2.gz MEEMMIWCRBPVSP-UHFFFAOYSA-N 0 0 337.810 4.389 50 0 EIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc2[nH]ncc21 ZINC000042018408 564174628 /nfs/dbraw/zinc/17/46/28/564174628.db2.gz UNGIUXKBPLSPGS-NSHDSACASA-N 0 0 336.420 4.006 50 0 EIAARN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)o1 ZINC000009807666 564174661 /nfs/dbraw/zinc/17/46/61/564174661.db2.gz CTMJVGRYMPDEEM-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN O=C(Nc1ccc2ncsc2c1)N1CCC(C(F)(F)F)CC1 ZINC000174962312 564175099 /nfs/dbraw/zinc/17/50/99/564175099.db2.gz NRUDFYJJXSTKQN-UHFFFAOYSA-N 0 0 329.347 4.103 50 0 EIAARN Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccn2)c1 ZINC000010215375 564175108 /nfs/dbraw/zinc/17/51/08/564175108.db2.gz CLCKHSGCPXWGSY-FPOVZHCZSA-N 0 0 343.386 4.030 50 0 EIAARN Cc1cc(C)cc(-n2ccnc(NC[C@H](C)c3ccccc3)c2=O)c1 ZINC000010273408 564175199 /nfs/dbraw/zinc/17/51/99/564175199.db2.gz NNMCSDMDZRPTGS-KRWDZBQOSA-N 0 0 333.435 4.065 50 0 EIAARN O=C(NCCOc1ccc2ccccc2c1)[C@H]1Cc2ccccc2S1 ZINC000010310539 564175254 /nfs/dbraw/zinc/17/52/54/564175254.db2.gz YDAMKSPMZNQNGL-HXUWFJFHSA-N 0 0 349.455 4.052 50 0 EIAARN COc1ccc2cc(CNC(=O)N[C@@H]3CCCC[C@@H]3C)ccc2c1 ZINC000010370688 564175344 /nfs/dbraw/zinc/17/53/44/564175344.db2.gz RIGPJOMAPARALN-IFXJQAMLSA-N 0 0 326.440 4.226 50 0 EIAARN CSc1nnc(-c2ccccc2NC(=O)/C=C/c2cccs2)o1 ZINC000010434401 564175774 /nfs/dbraw/zinc/17/57/74/564175774.db2.gz LCAOGHMNFMXMIW-CMDGGOBGSA-N 0 0 343.433 4.172 50 0 EIAARN CCn1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cn1 ZINC000074040253 564176471 /nfs/dbraw/zinc/17/64/71/564176471.db2.gz XUADIOGOILJWKY-UHFFFAOYSA-N 0 0 348.431 4.432 50 0 EIAARN O=C(CSc1nccn1C1CC1)c1sccc1Br ZINC000077902326 564176881 /nfs/dbraw/zinc/17/68/81/564176881.db2.gz GSIKXLNZOAYNSG-UHFFFAOYSA-N 0 0 343.271 4.017 50 0 EIAARN COCCCCC(=O)N(c1cccc2cccnc21)C1CCCC1 ZINC000078110239 564176901 /nfs/dbraw/zinc/17/69/01/564176901.db2.gz CIVHYZULZBZUSF-UHFFFAOYSA-N 0 0 326.440 4.327 50 0 EIAARN C[C@@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cccs1 ZINC000078089342 564176918 /nfs/dbraw/zinc/17/69/18/564176918.db2.gz VBYOVZBABQIPBM-IAQYHMDHSA-N 0 0 341.436 4.218 50 0 EIAARN O=C(Nc1ccc(Cl)nc1)c1cnc(-c2ccccc2F)s1 ZINC000078494338 564176987 /nfs/dbraw/zinc/17/69/87/564176987.db2.gz BIIFQJQXIJRCDI-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN CC(=O)Nc1cc(NC(=O)N[C@H]2CCCc3ccccc32)ccc1C ZINC000048363223 568417955 /nfs/dbraw/zinc/41/79/55/568417955.db2.gz ALWISPQRYJDTTQ-SFHVURJKSA-N 0 0 337.423 4.153 50 0 EIAARN O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1COc2ccccc2O1 ZINC000012274763 568418197 /nfs/dbraw/zinc/41/81/97/568418197.db2.gz AJHIXOSLPCJWMN-FQEVSTJZSA-N 0 0 346.386 4.209 50 0 EIAARN Fc1ccc([C@H]2CCCN2Cc2cncn2Cc2ccccc2)cc1 ZINC000252501501 568419080 /nfs/dbraw/zinc/41/90/80/568419080.db2.gz UGQHRYCMYJUKMN-OAQYLSRUSA-N 0 0 335.426 4.408 50 0 EIAARN Fc1ccc([C@@H]2CCCN2Cc2cncn2Cc2ccccc2)cc1 ZINC000252501500 568419099 /nfs/dbraw/zinc/41/90/99/568419099.db2.gz UGQHRYCMYJUKMN-NRFANRHFSA-N 0 0 335.426 4.408 50 0 EIAARN CN(C)c1ccc(Cl)cc1NC(=O)Cc1cn(C)c2ccccc12 ZINC000109342233 1032402639 /nfs/dbraw/zinc/40/26/39/1032402639.db2.gz ZONPEJFRTKACAJ-UHFFFAOYSA-N 0 0 341.842 4.079 50 0 EIAARN Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)C1CCCCC1 ZINC000072314169 1021773725 /nfs/dbraw/zinc/77/37/25/1021773725.db2.gz JYEJMNIYXUSICO-GOSISDBHSA-N 0 0 326.440 4.218 50 0 EIAARN Cc1nc(C)c([C@H](C)N(C)C(=O)CCc2ccc3[nH]ccc3c2)s1 ZINC000180506316 1022504268 /nfs/dbraw/zinc/50/42/68/1022504268.db2.gz SKNMLOCTSFHSHM-ZDUSSCGKSA-N 0 0 341.480 4.393 50 0 EIAARN C/C=C/c1ccc(OCC(=O)N[C@H](C)c2cccs2)c(OC)c1 ZINC000014124113 1022677351 /nfs/dbraw/zinc/67/73/51/1022677351.db2.gz CZPLHIDARSUYOC-DIECRNLCSA-N 0 0 331.437 4.046 50 0 EIAARN NC(=S)Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000675030650 1023341402 /nfs/dbraw/zinc/34/14/02/1023341402.db2.gz CGXMSDSVBYSPOV-UHFFFAOYSA-N 0 0 327.236 4.228 50 0 EIAARN CCOc1ccccc1NC(=O)c1sc2nc(C)c(C)cc2c1N ZINC000675030391 1023342232 /nfs/dbraw/zinc/34/22/32/1023342232.db2.gz NGXCHCQRLRSTKU-UHFFFAOYSA-N 0 0 341.436 4.146 50 0 EIAARN Cc1ccc(C)c(NC(=O)Cn2cc(Oc3ccc(F)cc3)cn2)c1 ZINC000675028651 1023346839 /nfs/dbraw/zinc/34/68/39/1023346839.db2.gz YCDGRWCNRMBHRK-UHFFFAOYSA-N 0 0 339.370 4.070 50 0 EIAARN Cc1ccc(SCCNC(=O)/C=C/c2nc3ccccc3o2)cc1 ZINC000014803973 1023429197 /nfs/dbraw/zinc/42/91/97/1023429197.db2.gz IZNUDWZRDFRTGM-ZHACJKMWSA-N 0 0 338.432 4.058 50 0 EIAARN COc1ccc(C)cc1/C=C\C(=O)N1CC=C(c2ccccc2)CC1 ZINC000096904500 1023528741 /nfs/dbraw/zinc/52/87/41/1023528741.db2.gz VUXTTZYQRDRMGF-LUAWRHEFSA-N 0 0 333.431 4.333 50 0 EIAARN CCc1ccc(CN(C)Cc2nc(-c3ccc(F)cc3)oc2C)nc1 ZINC000020208296 1023663271 /nfs/dbraw/zinc/66/32/71/1023663271.db2.gz DLAWNNAYZOPKPZ-UHFFFAOYSA-N 0 0 339.414 4.379 50 0 EIAARN Cc1cnccc1NC(=O)c1ccc(Br)cc1Cl ZINC000107291675 1024093450 /nfs/dbraw/zinc/09/34/50/1024093450.db2.gz JBVNUUFHGFAVQR-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cnn4ccccc34)nc12 ZINC000255412071 1024820610 /nfs/dbraw/zinc/82/06/10/1024820610.db2.gz KJISFZRCTCKAQE-NTEUORMPSA-N 0 0 336.782 4.028 50 0 EIAARN Cn1c(C(=O)NC2C3CC4CC(C3)CC2C4)cc2ccc(Cl)cc21 ZINC000888088764 1025330548 /nfs/dbraw/zinc/33/05/48/1025330548.db2.gz QGUDENVWZIVKKY-UHFFFAOYSA-N 0 0 342.870 4.386 50 0 EIAARN O=C(Nc1ccc2cc[nH]c2c1)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000194275902 1026036052 /nfs/dbraw/zinc/03/60/52/1026036052.db2.gz IKVLLGYLOAKSRL-HXUWFJFHSA-N 0 0 349.434 4.072 50 0 EIAARN Nc1c2cc3c(nc2sc1C(=O)c1ccccn1)CCCCCC3 ZINC000197287719 1027139663 /nfs/dbraw/zinc/13/96/63/1027139663.db2.gz HQEJTMBWTLCGOV-UHFFFAOYSA-N 0 0 337.448 4.164 50 0 EIAARN COc1ccccc1NC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000015784671 1027548597 /nfs/dbraw/zinc/54/85/97/1027548597.db2.gz HNOPHGCZIBHWMB-UHFFFAOYSA-N 0 0 331.441 4.455 50 0 EIAARN Cc1nn(C)c(C)c1-c1ccnc(N2CCC[C@@H]2c2ccccc2C)n1 ZINC000023159329 1027924760 /nfs/dbraw/zinc/92/47/60/1027924760.db2.gz CIKVDHLYFOGLRA-LJQANCHMSA-N 0 0 347.466 4.144 50 0 EIAARN O=C(NC1CCCCC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000015838284 1029113625 /nfs/dbraw/zinc/11/36/25/1029113625.db2.gz ITBRQBJECCQUAO-FQEVSTJZSA-N 0 0 349.430 4.203 50 0 EIAARN CCn1ncc2ccc(NC(=O)c3ccccc3Br)cc21 ZINC000194673238 1029710225 /nfs/dbraw/zinc/71/02/25/1029710225.db2.gz NDTKDHLTPLPWFA-UHFFFAOYSA-N 0 0 344.212 4.071 50 0 EIAARN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(Cl)s1 ZINC000194693411 1029806518 /nfs/dbraw/zinc/80/65/18/1029806518.db2.gz YRXQIAWWJLJHDX-UHFFFAOYSA-N 0 0 348.855 4.198 50 0 EIAARN O=C(Nc1cccc(/C=C\c2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000096565236 1031173032 /nfs/dbraw/zinc/17/30/32/1031173032.db2.gz LWXIIQYHBHYEBI-YFHOEESVSA-N 0 0 345.358 4.413 50 0 EIAARN CCCOc1ccccc1NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000177181199 1031400550 /nfs/dbraw/zinc/40/05/50/1031400550.db2.gz VGTZRKZABZJBQB-QGZVFWFLSA-N 0 0 346.452 4.142 50 0 EIAARN Cc1nc(COc2cccc(/C=C/C(=O)N3CCCCC3)c2)cs1 ZINC000029651658 1035716202 /nfs/dbraw/zinc/71/62/02/1035716202.db2.gz LDTBIRVTNPLVAI-CMDGGOBGSA-N 0 0 342.464 4.056 50 0 EIAARN Cc1ccc(/C=C/C(=O)Nc2cnc3c(cnn3C(C)C)c2)s1 ZINC000016106863 1035745485 /nfs/dbraw/zinc/74/54/85/1035745485.db2.gz LRVPWDRETRODME-VOTSOKGWSA-N 0 0 326.425 4.034 50 0 EIAARN Cc1ccccc1OCCN(C)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000016147318 1035811640 /nfs/dbraw/zinc/81/16/40/1035811640.db2.gz QCOMOLPGMDFKMJ-BUHFOSPRSA-N 0 0 346.430 4.094 50 0 EIAARN O=C(c1cccs1)N1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)ncc12 ZINC000257183000 1036306913 /nfs/dbraw/zinc/30/69/13/1036306913.db2.gz HCMGVNOMMNMQQD-WMLDXEAASA-N 0 0 347.443 4.107 50 0 EIAARN O=C(c1ccoc1)N1CCCN(CCc2ccccc2)c2ccccc21 ZINC000169756369 1036317173 /nfs/dbraw/zinc/31/71/73/1036317173.db2.gz CXNOPAVMNHXXNW-UHFFFAOYSA-N 0 0 346.430 4.379 50 0 EIAARN O=C(c1ccco1)N1CCCCC[C@@H]1c1nnc(-c2ccccc2)o1 ZINC000257190537 1036393124 /nfs/dbraw/zinc/39/31/24/1036393124.db2.gz OULSHPLULRJECW-OAHLLOKOSA-N 0 0 337.379 4.087 50 0 EIAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccccc1-n1cccn1 ZINC000170608798 1036710820 /nfs/dbraw/zinc/71/08/20/1036710820.db2.gz LDHUZBXAWWTODX-QSOAKEGCSA-N 0 0 349.409 4.244 50 0 EIAARN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000266731603 1036980986 /nfs/dbraw/zinc/98/09/86/1036980986.db2.gz BJBGXKNCVIYYGA-HNAYVOBHSA-N 0 0 340.471 4.035 50 0 EIAARN CC(C)(C)c1ccc(Cn2nccc2NC(=O)/C=C\c2ccco2)cc1 ZINC000205699699 1037599437 /nfs/dbraw/zinc/59/94/37/1037599437.db2.gz LQWAVKPTTRXZLM-KHPPLWFESA-N 0 0 349.434 4.474 50 0 EIAARN O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)NCc1cccnc1 ZINC000214646102 1038298866 /nfs/dbraw/zinc/29/88/66/1038298866.db2.gz NEJWICMVJIZQBD-XQRVVYSFSA-N 0 0 340.732 4.083 50 0 EIAARN CSc1ccc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000096920470 1039791214 /nfs/dbraw/zinc/79/12/14/1039791214.db2.gz RGGVURFZIFBDJZ-KHPPLWFESA-N 0 0 339.869 4.475 50 0 EIAARN FC(F)c1ccc(-c2noc([C@H]3[C@@H]4c5ccccc5C[C@@H]43)n2)cn1 ZINC000624653655 1039814794 /nfs/dbraw/zinc/81/47/94/1039814794.db2.gz SKVJMCQLWASRGF-NWANDNLSSA-N 0 0 325.318 4.123 50 0 EIAARN O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccncc1 ZINC000096983230 1039875349 /nfs/dbraw/zinc/87/53/49/1039875349.db2.gz HMHXMMLHROCOEY-RQOWECAXSA-N 0 0 326.705 4.406 50 0 EIAARN CC(=O)N1CCCN(Cc2cccc(OC(F)F)c2)c2ccccc21 ZINC000081167757 1039949888 /nfs/dbraw/zinc/94/98/88/1039949888.db2.gz YSGCPZLATKDUAA-UHFFFAOYSA-N 0 0 346.377 4.051 50 0 EIAARN CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H]2CCCc3occc32)s1 ZINC000266564960 1040414976 /nfs/dbraw/zinc/41/49/76/1040414976.db2.gz WANAKTAPQIKANX-JSGCOSHPSA-N 0 0 347.484 4.387 50 0 EIAARN CN(Cc1cccnc1Oc1ccccc1)C(=O)Cc1cccs1 ZINC000065267080 1040891832 /nfs/dbraw/zinc/89/18/32/1040891832.db2.gz RHMDWGNFFWENOB-UHFFFAOYSA-N 0 0 338.432 4.137 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H]2c2cccn2C)c2nccc(C)c2c1 ZINC000339838079 1042781704 /nfs/dbraw/zinc/78/17/04/1042781704.db2.gz MCRROYUVSVXXPQ-IBGZPJMESA-N 0 0 333.435 4.167 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccccc1F ZINC000606440725 1043066414 /nfs/dbraw/zinc/06/64/14/1043066414.db2.gz VILXWKXNGQWMDE-CYBMUJFWSA-N 0 0 347.436 4.079 50 0 EIAARN C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000171779312 1043156801 /nfs/dbraw/zinc/15/68/01/1043156801.db2.gz IWUYAFGXUGFGGG-XIKOKIGWSA-N 0 0 344.842 4.436 50 0 EIAARN C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000171779308 1043157136 /nfs/dbraw/zinc/15/71/36/1043157136.db2.gz IWUYAFGXUGFGGG-SGTLLEGYSA-N 0 0 344.842 4.436 50 0 EIAARN CCn1c(C)cc2cc(NC(=O)[C@@H](C)n3ccnc3C(C)C)ccc21 ZINC000823582596 1044290897 /nfs/dbraw/zinc/29/08/97/1044290897.db2.gz NDNLENJOUSUBPR-OAHLLOKOSA-N 0 0 338.455 4.489 50 0 EIAARN COc1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)c(C)n1 ZINC000182100680 1044605865 /nfs/dbraw/zinc/60/58/65/1044605865.db2.gz UFTAVRFRVGFUMF-UHFFFAOYSA-N 0 0 330.350 4.096 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)[C@H]2CCCC[C@H]12 ZINC000183027144 1044858287 /nfs/dbraw/zinc/85/82/87/1044858287.db2.gz LGCAJUUNABPCHK-RTXFEEFZSA-N 0 0 348.497 4.309 50 0 EIAARN O=C(NCc1cccs1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000828924878 1045001044 /nfs/dbraw/zinc/00/10/44/1045001044.db2.gz BZJXJIVHKXZFFC-INIZCTEOSA-N 0 0 344.480 4.151 50 0 EIAARN O=C(NCCC1=CCCCC1)c1ccn2c(c1)nnc2-c1ccccc1 ZINC000065296095 1045255575 /nfs/dbraw/zinc/25/55/75/1045255575.db2.gz AMWNANNPGFUJNK-UHFFFAOYSA-N 0 0 346.434 4.017 50 0 EIAARN C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)s1 ZINC000033191670 1046685297 /nfs/dbraw/zinc/68/52/97/1046685297.db2.gz YXZJWVBALBPPJF-HTZNOQTFSA-N 0 0 335.812 4.021 50 0 EIAARN COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)c2cccc3ncccc32)cc1 ZINC000622834608 1046716594 /nfs/dbraw/zinc/71/65/94/1046716594.db2.gz RKOHQBYJJNAUOT-LPHOPBHVSA-N 0 0 346.430 4.400 50 0 EIAARN O=C(CC1CCC(F)(F)CC1)Nc1ccc(Oc2cccnn2)cc1 ZINC000628195662 1047666035 /nfs/dbraw/zinc/66/60/35/1047666035.db2.gz GXHBPZQOHOBVBK-UHFFFAOYSA-N 0 0 347.365 4.423 50 0 EIAARN CC(C)c1cccc2c1CCN([C@@H](C)c1nc(-c3cccnc3)no1)C2 ZINC000191892559 1049028451 /nfs/dbraw/zinc/02/84/51/1049028451.db2.gz FCJSBTNZEZMQFN-HNNXBMFYSA-N 0 0 348.450 4.374 50 0 EIAARN O=C(CSC1CCCC1)NCc1cncc(-c2ccsc2)c1 ZINC000218819537 1049167818 /nfs/dbraw/zinc/16/78/18/1049167818.db2.gz HDPBPWNLDXEAPH-UHFFFAOYSA-N 0 0 332.494 4.102 50 0 EIAARN Cn1cc(-c2nc(CSC/C=C/c3ccccc3)cs2)cn1 ZINC000064612209 1049371869 /nfs/dbraw/zinc/37/18/69/1049371869.db2.gz KYZZBVTYHXUHEG-VMPITWQZSA-N 0 0 327.478 4.490 50 0 EIAARN C[C@H](NC(=O)C1(c2cccs2)CCCCC1)c1ccncc1F ZINC000585080293 1049384756 /nfs/dbraw/zinc/38/47/56/1049384756.db2.gz ZCCQMCYCLXWIEG-ZDUSSCGKSA-N 0 0 332.444 4.362 50 0 EIAARN Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1C[C@@H](C)CCO1 ZINC000585082024 1049386034 /nfs/dbraw/zinc/38/60/34/1049386034.db2.gz QZWQPTWZHDATTJ-YWZLYKJASA-N 0 0 338.451 4.361 50 0 EIAARN O=C([C@@H]1CCOc2ccc(Cl)cc21)N1Cc2cccc(Cl)c2C1 ZINC000585083461 1049400002 /nfs/dbraw/zinc/40/00/02/1049400002.db2.gz UOPDLDJQZSBMIS-CYBMUJFWSA-N 0 0 348.229 4.402 50 0 EIAARN C[C@@H](C(=O)N1CC=C(c2ccc(F)cc2)CC1)n1cnc2ccccc21 ZINC000193089320 1049512245 /nfs/dbraw/zinc/51/22/45/1049512245.db2.gz HNBGDWUWVHZGJN-HNNXBMFYSA-N 0 0 349.409 4.052 50 0 EIAARN Cc1nccnc1[C@@H](C)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000631722658 1049553550 /nfs/dbraw/zinc/55/35/50/1049553550.db2.gz JWPUALFJHBXUJT-SNVBAGLBSA-N 0 0 329.753 4.308 50 0 EIAARN Cc1cnc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)o1 ZINC000585116934 1049560841 /nfs/dbraw/zinc/56/08/41/1049560841.db2.gz MQVZONQRFPQQPV-UHFFFAOYSA-N 0 0 328.416 4.003 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)COc1ccnc(Cl)c1F ZINC000585123098 1049579565 /nfs/dbraw/zinc/57/95/65/1049579565.db2.gz VEPBMNMKTBTAFD-UHFFFAOYSA-N 0 0 336.794 4.323 50 0 EIAARN Cc1ccc(-c2noc([C@H]3CCO[C@@H](c4ccccc4)O3)n2)cc1F ZINC000585133695 1049612496 /nfs/dbraw/zinc/61/24/96/1049612496.db2.gz RCDIXNCUIKAIGX-VQIMIIECSA-N 0 0 340.354 4.361 50 0 EIAARN CCC(CC)(C(=O)N1CC(C2CCC2)C1)c1ccc(OC)c(OC)c1 ZINC000952962066 1049682041 /nfs/dbraw/zinc/68/20/41/1049682041.db2.gz YXNFHVQNHIHOOL-UHFFFAOYSA-N 0 0 345.483 4.020 50 0 EIAARN COc1ccc(Oc2ccc(NC(=O)c3c(C)ncnc3C)cc2)cc1 ZINC000952971894 1049684766 /nfs/dbraw/zinc/68/47/66/1049684766.db2.gz RAHZNOLUMUXUES-UHFFFAOYSA-N 0 0 349.390 4.147 50 0 EIAARN CCCCc1nc(CN[C@H](c2nc3cc(C)ccc3[nH]2)C(C)C)c[nH]1 ZINC000952975497 1049686106 /nfs/dbraw/zinc/68/61/06/1049686106.db2.gz KHUCNJRBVQIWCN-IBGZPJMESA-N 0 0 339.487 4.424 50 0 EIAARN COc1ccc(F)c(CN[C@@H](C)c2ccccc2-n2cccn2)c1F ZINC000952978373 1049686202 /nfs/dbraw/zinc/68/62/02/1049686202.db2.gz XNBUVLZZPWZLBH-ZDUSSCGKSA-N 0 0 343.377 4.010 50 0 EIAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000952985186 1049688010 /nfs/dbraw/zinc/68/80/10/1049688010.db2.gz QJJASLOGXLPXBT-GOSISDBHSA-N 0 0 333.435 4.465 50 0 EIAARN CC1(C)C[C@@]1(C(=O)Nc1cccc(-n2cccn2)c1)c1cccs1 ZINC000952967686 1049689031 /nfs/dbraw/zinc/68/90/31/1049689031.db2.gz BNUVMTBFJVGCBW-IBGZPJMESA-N 0 0 337.448 4.240 50 0 EIAARN Cc1nc([C@H](C)N(C)Cc2cnn(-c3cccc(C)c3)c2)c(C)s1 ZINC000952968159 1049689430 /nfs/dbraw/zinc/68/94/30/1049689430.db2.gz IPCJHKZMMCIWSJ-AWEZNQCLSA-N 0 0 340.496 4.447 50 0 EIAARN Cc1nn(C2CCOCC2)cc1NC(=O)CCCC1CCCCC1 ZINC000952993125 1049689741 /nfs/dbraw/zinc/68/97/41/1049689741.db2.gz DOEFLBHFJDIQIN-UHFFFAOYSA-N 0 0 333.476 4.232 50 0 EIAARN Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1 ZINC000952991376 1049693661 /nfs/dbraw/zinc/69/36/61/1049693661.db2.gz OOVFGCGVWDQRMW-CYBMUJFWSA-N 0 0 342.826 4.416 50 0 EIAARN Cc1ccccc1CN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000007845428 1049765736 /nfs/dbraw/zinc/76/57/36/1049765736.db2.gz PRECJRREUMNJSW-UHFFFAOYSA-N 0 0 337.250 4.372 50 0 EIAARN C[C@@H](c1cccnc1)N(C)Cc1csc(COc2ccccc2)n1 ZINC000180798835 1049944470 /nfs/dbraw/zinc/94/44/70/1049944470.db2.gz VTQHMGYOLAWBSF-HNNXBMFYSA-N 0 0 339.464 4.310 50 0 EIAARN Cc1c(COC(C)C)cccc1NC(=O)NC1Cc2ccccc2C1 ZINC000184215313 1051886093 /nfs/dbraw/zinc/88/60/93/1051886093.db2.gz DLQZZRQVANPCLQ-UHFFFAOYSA-N 0 0 338.451 4.209 50 0 EIAARN CCC(=O)[C@H]1CCCCN1C(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000185814667 1052731544 /nfs/dbraw/zinc/73/15/44/1052731544.db2.gz ICAIHVVSBAIKSY-LJQANCHMSA-N 0 0 336.435 4.031 50 0 EIAARN N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1 ZINC000027519518 1054177377 /nfs/dbraw/zinc/17/73/77/1054177377.db2.gz QLUMUKCWVLNHCV-DHDCSXOGSA-N 0 0 344.823 4.058 50 0 EIAARN O=C(c1occc1-c1ccccc1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000684992035 1054903852 /nfs/dbraw/zinc/90/38/52/1054903852.db2.gz PKOZVPCVHXKQJP-QRVBRYPASA-N 0 0 339.435 4.102 50 0 EIAARN CC(C)(C)OC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000230549476 1056368851 /nfs/dbraw/zinc/36/88/51/1056368851.db2.gz YXESWQAGSHKDCS-UHFFFAOYSA-N 0 0 344.224 4.488 50 0 EIAARN CN(CC(C)(C)CO)C(=O)Nc1ccccc1Oc1ccc(F)cc1 ZINC000097634933 219042799 /nfs/dbraw/zinc/04/27/99/219042799.db2.gz HOOLYFVKEFRPDU-UHFFFAOYSA-N 0 0 346.402 4.100 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)cc1 ZINC000051315391 214087099 /nfs/dbraw/zinc/08/70/99/214087099.db2.gz OPDWENSVHDKAOK-UHFFFAOYSA-N 0 0 335.407 4.345 50 0 EIAARN COc1cc(OC)c(NC(=O)Nc2cccc(F)c2C)cc1Cl ZINC000051354561 214090039 /nfs/dbraw/zinc/09/00/39/214090039.db2.gz QIOSAJOYUWEFHE-UHFFFAOYSA-N 0 0 338.766 4.449 50 0 EIAARN Cc1nn(-c2ccccn2)c2c1-c1nc3ccccc3nc1C(C)(C)C2 ZINC000004729289 210263189 /nfs/dbraw/zinc/26/31/89/210263189.db2.gz WFXUAFJKEWSQQT-UHFFFAOYSA-N 0 0 341.418 4.020 50 0 EIAARN O=C(NCCc1nccs1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000051617810 214098711 /nfs/dbraw/zinc/09/87/11/214098711.db2.gz JSKUMGJQMCLYDJ-UHFFFAOYSA-N 0 0 349.765 4.180 50 0 EIAARN CN(Cc1nc(Cc2ccccc2)no1)Cc1cccc2ccccc21 ZINC000051993130 214112130 /nfs/dbraw/zinc/11/21/30/214112130.db2.gz RQWNWPWZXJKKPM-UHFFFAOYSA-N 0 0 343.430 4.446 50 0 EIAARN CCCN(Cc1nnc(C)o1)[C@@H](C)c1ccccc1Br ZINC000052134828 214120124 /nfs/dbraw/zinc/12/01/24/214120124.db2.gz KDMDNCVMCWDESO-NSHDSACASA-N 0 0 338.249 4.114 50 0 EIAARN CCC(=O)Nc1ccc(Nc2nc3cc(C)nn3c3ccccc32)cc1 ZINC000052339324 214126182 /nfs/dbraw/zinc/12/61/82/214126182.db2.gz VBKXOUIIAGOZLG-UHFFFAOYSA-N 0 0 345.406 4.283 50 0 EIAARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)N3CCC(C)CC3)cc2)cs1 ZINC000052774637 214144839 /nfs/dbraw/zinc/14/48/39/214144839.db2.gz DSIWIDYGHMVTLI-AWEZNQCLSA-N 0 0 343.496 4.177 50 0 EIAARN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@@H]1c1ccsc1 ZINC000052803657 214147832 /nfs/dbraw/zinc/14/78/32/214147832.db2.gz CKXDBHNPQDYMHZ-BDJLRTHQSA-N 0 0 336.407 4.190 50 0 EIAARN Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000053279259 214173932 /nfs/dbraw/zinc/17/39/32/214173932.db2.gz ZXLHPWGAAUYTFH-OAHLLOKOSA-N 0 0 325.437 4.042 50 0 EIAARN O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc2ccccc2n1 ZINC000053280277 214174272 /nfs/dbraw/zinc/17/42/72/214174272.db2.gz SUFCCCLMLZZJRZ-UHFFFAOYSA-N 0 0 329.359 4.071 50 0 EIAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC000053158520 214167205 /nfs/dbraw/zinc/16/72/05/214167205.db2.gz RZAVOHZPHRRAJV-UHFFFAOYSA-N 0 0 342.595 4.172 50 0 EIAARN C[C@H](NC(=S)N[C@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000053534349 214188104 /nfs/dbraw/zinc/18/81/04/214188104.db2.gz KHHVOZSRDRQLTM-GUYCJALGSA-N 0 0 344.455 4.265 50 0 EIAARN Cc1cc(NC(=O)NCCC2=CCCCC2)ccc1N1CCCC1=O ZINC000097698686 219049423 /nfs/dbraw/zinc/04/94/23/219049423.db2.gz WFFJHFFKEBTAQO-UHFFFAOYSA-N 0 0 341.455 4.134 50 0 EIAARN CC(C)c1ccc(-c2csc(NC(=O)c3cnns3)n2)cc1 ZINC000054149347 214219394 /nfs/dbraw/zinc/21/93/94/214219394.db2.gz LMAHHQRUSMGWQC-UHFFFAOYSA-N 0 0 330.438 4.037 50 0 EIAARN CCc1cc(Cl)ccc1NC(=O)N(C)Cc1noc(C(C)C)n1 ZINC000097729542 219051660 /nfs/dbraw/zinc/05/16/60/219051660.db2.gz QUOCDYASJXBHBP-UHFFFAOYSA-N 0 0 336.823 4.073 50 0 EIAARN CCCN(Cc1ccc(OC)cc1)C(=O)c1sc(C)nc1CC ZINC000055041974 214266831 /nfs/dbraw/zinc/26/68/31/214266831.db2.gz NTDRZMCVUDVKDP-UHFFFAOYSA-N 0 0 332.469 4.075 50 0 EIAARN CCCCOc1ccc(-c2nc3c(n2O)C(=O)CC(C)(C)C3)cc1 ZINC000055104094 214274022 /nfs/dbraw/zinc/27/40/22/214274022.db2.gz UWTQKIATBCIBQD-UHFFFAOYSA-N 0 0 328.412 4.121 50 0 EIAARN O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)Nc1nncs1 ZINC000055148091 214279449 /nfs/dbraw/zinc/27/94/49/214279449.db2.gz GBDRMJJQCLUTAO-VURMDHGXSA-N 0 0 331.397 4.058 50 0 EIAARN CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc(F)c(F)cc1Cl ZINC000055154287 214280234 /nfs/dbraw/zinc/28/02/34/214280234.db2.gz YREMDHRUPUNEHO-NSHDSACASA-N 0 0 338.785 4.454 50 0 EIAARN C(=C/N1CCCCCC1)\c1nnnn1-c1ccc(-c2ccccc2)cc1 ZINC000055153050 214280292 /nfs/dbraw/zinc/28/02/92/214280292.db2.gz YZULJWWBOANRNC-SAPNQHFASA-N 0 0 345.450 4.176 50 0 EIAARN C[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 ZINC000055244875 214294171 /nfs/dbraw/zinc/29/41/71/214294171.db2.gz YXXZBIBMCBSIBB-OAHLLOKOSA-N 0 0 335.382 4.019 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN(Cc2ccc(Cl)cc2)CO1 ZINC000055402549 214320165 /nfs/dbraw/zinc/32/01/65/214320165.db2.gz ASWFTNOPBUOHSG-UHFFFAOYSA-N 0 0 341.794 4.107 50 0 biogenic EIAARN COc1cccc(C(=O)Nc2cnc3ccccc3c2)c1OC(F)F ZINC000055455610 214324273 /nfs/dbraw/zinc/32/42/73/214324273.db2.gz DOHKLNQWRLVJGP-UHFFFAOYSA-N 0 0 344.317 4.097 50 0 EIAARN Cc1ccc(-c2csc3[nH]c(-c4cccc(O)c4)nc(=O)c23)s1 ZINC000055491118 214326787 /nfs/dbraw/zinc/32/67/87/214326787.db2.gz CTVRDUFAQZSPQJ-UHFFFAOYSA-N 0 0 340.429 4.394 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000055540327 214328103 /nfs/dbraw/zinc/32/81/03/214328103.db2.gz KCHFPVONEKSDIU-LJQANCHMSA-N 0 0 327.399 4.131 50 0 EIAARN Cc1cccc(Nc2nc(C(=O)N3CCc4ccccc4C3)cs2)c1 ZINC000004687913 210247853 /nfs/dbraw/zinc/24/78/53/210247853.db2.gz SYVPVJNOOZTRJN-UHFFFAOYSA-N 0 0 349.459 4.394 50 0 EIAARN Cc1ccc2c(CNc3ccccc3-n3cccn3)cc(=O)oc2c1C ZINC000055850872 214344155 /nfs/dbraw/zinc/34/41/55/214344155.db2.gz JQDQDOQFPQCFAJ-UHFFFAOYSA-N 0 0 345.402 4.208 50 0 EIAARN Cc1ccc(C)c(N(C)C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c1 ZINC000055895919 214345818 /nfs/dbraw/zinc/34/58/18/214345818.db2.gz RLNRLXZQUPGDEN-MAUKXSAKSA-N 0 0 336.435 4.175 50 0 EIAARN COCc1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000055849078 214343950 /nfs/dbraw/zinc/34/39/50/214343950.db2.gz CUFAGXKJSBZLIG-UHFFFAOYSA-N 0 0 339.222 4.190 50 0 EIAARN CC(C)Sc1ccccc1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000055996028 214352250 /nfs/dbraw/zinc/35/22/50/214352250.db2.gz GXRLJOUBLVGWGB-UHFFFAOYSA-N 0 0 339.420 4.489 50 0 EIAARN Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)ccc2o1 ZINC000056255975 214367593 /nfs/dbraw/zinc/36/75/93/214367593.db2.gz JKEBDLINBRXBDG-NEPJUHHUSA-N 0 0 326.318 4.443 50 0 EIAARN COC(=O)N(C)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000056449331 214375049 /nfs/dbraw/zinc/37/50/49/214375049.db2.gz JLNOKYBIEPFHRG-UHFFFAOYSA-N 0 0 342.439 4.044 50 0 EIAARN CCCCS[C@@H](C)C(=O)Nc1ccc(Oc2cnccn2)cc1 ZINC000057488350 214432935 /nfs/dbraw/zinc/43/29/35/214432935.db2.gz JODNKZIKQDHEFJ-ZDUSSCGKSA-N 0 0 331.441 4.129 50 0 EIAARN Cc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(C)c1Cl ZINC000004674834 210243188 /nfs/dbraw/zinc/24/31/88/210243188.db2.gz GOENUIKRCHXARD-UHFFFAOYSA-N 0 0 347.886 4.421 50 0 EIAARN COc1ccc(C)cc1CSc1nnc(NCC(F)(F)F)s1 ZINC000057772878 214450930 /nfs/dbraw/zinc/45/09/30/214450930.db2.gz DVOFENAZIISLIE-UHFFFAOYSA-N 0 0 349.403 4.122 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1ccc(N(C)CC(C)C)cc1 ZINC000058018210 214472138 /nfs/dbraw/zinc/47/21/38/214472138.db2.gz RZKKKQVINUCFGE-UHFFFAOYSA-N 0 0 326.440 4.348 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000004666351 210241376 /nfs/dbraw/zinc/24/13/76/210241376.db2.gz IKVIMCJZUZQPLH-UHFFFAOYSA-N 0 0 349.386 4.034 50 0 EIAARN COc1ccccc1-c1nnc2sc(/C=C/c3ccccc3)nn21 ZINC000004664939 210240961 /nfs/dbraw/zinc/24/09/61/210240961.db2.gz JADMJTVBUOYYAZ-VAWYXSNFSA-N 0 0 334.404 4.032 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000004666309 210241019 /nfs/dbraw/zinc/24/10/19/210241019.db2.gz LUQNBQSNCJGCMS-CYBMUJFWSA-N 0 0 343.423 4.478 50 0 EIAARN COc1ccc(NC(=O)N(C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000058198469 214500915 /nfs/dbraw/zinc/50/09/15/214500915.db2.gz UONYSQZOWFAIFE-UHFFFAOYSA-N 0 0 346.452 4.090 50 0 EIAARN Cc1c(Cl)c(Br)ccc1I ZINC000063339645 214754726 /nfs/dbraw/zinc/75/47/26/214754726.db2.gz LTTIZTDAVFVXLF-UHFFFAOYSA-N 0 0 331.378 4.016 50 0 EIAARN CCn1c(S[C@@H](C)c2cccnc2)nc2sc(C)c(C)c2c1=O ZINC000058245410 214514862 /nfs/dbraw/zinc/51/48/62/214514862.db2.gz YBVDAFUROIEIOY-LBPRGKRZSA-N 0 0 345.493 4.343 50 0 EIAARN Cc1ccccc1OCCSc1nnc(-c2cccs2)n1C ZINC000004656240 210238379 /nfs/dbraw/zinc/23/83/79/210238379.db2.gz UHCIILVKZBWWOC-UHFFFAOYSA-N 0 0 331.466 4.023 50 0 EIAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000004649100 210237135 /nfs/dbraw/zinc/23/71/35/210237135.db2.gz MQNIJPKCLGNGST-UHFFFAOYSA-N 0 0 332.350 4.346 50 0 EIAARN CC[C@@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1c(C)noc1C ZINC000187293191 529609354 /nfs/dbraw/zinc/60/93/54/529609354.db2.gz HHAROSJLFJKTKE-UKRRQHHQSA-N 0 0 348.472 4.054 50 0 EIAARN CCN(C(=O)Nc1ccc(C(C)=O)cc1)[C@H](C)c1cccc(O)c1 ZINC000058298818 214536460 /nfs/dbraw/zinc/53/64/60/214536460.db2.gz NKHWAPAHTVRKTA-CYBMUJFWSA-N 0 0 326.396 4.210 50 0 EIAARN CC(C)N1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 ZINC000058357456 214561600 /nfs/dbraw/zinc/56/16/00/214561600.db2.gz UTIAFICDQUIZMP-UHFFFAOYSA-N 0 0 344.505 4.282 50 0 EIAARN Cc1cnn(CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000058367831 214563449 /nfs/dbraw/zinc/56/34/49/214563449.db2.gz OTQQRCDXMIKLTH-UHFFFAOYSA-N 0 0 348.431 4.107 50 0 EIAARN Nn1c(SCc2cccc3ccccc32)nnc1-c1cccs1 ZINC000004601128 210230188 /nfs/dbraw/zinc/23/01/88/210230188.db2.gz CBJIVTPCJAXLRR-UHFFFAOYSA-N 0 0 338.461 4.166 50 0 EIAARN O=C1c2ccccc2N[C@@H](/C=C\c2ccco2)N1CCc1ccccc1 ZINC000098055501 219075416 /nfs/dbraw/zinc/07/54/16/219075416.db2.gz RIKVWEOJLHFJPY-BIGNBACZSA-N 0 0 344.414 4.430 50 0 EIAARN O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1cccnc1 ZINC000004590280 210229169 /nfs/dbraw/zinc/22/91/69/210229169.db2.gz BYIDWUHVTAKRAK-XQZMZFSGSA-N 0 0 345.185 4.398 50 0 EIAARN Cc1cc(CN(C)C(=O)c2ccccc2Nc2ccc(C)cc2)no1 ZINC000063768913 214767816 /nfs/dbraw/zinc/76/78/16/214767816.db2.gz NGOXFJDKSPDTQF-UHFFFAOYSA-N 0 0 335.407 4.307 50 0 EIAARN COc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)c(Cl)c1 ZINC000004589650 210228250 /nfs/dbraw/zinc/22/82/50/210228250.db2.gz FJCONFPBLUQVOA-NVNXTCNLSA-N 0 0 348.185 4.347 50 0 EIAARN COc1ccc(/C=C/C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc1 ZINC000004589499 210228292 /nfs/dbraw/zinc/22/82/92/210228292.db2.gz MFSMWINHAMBGBI-JUBDITTISA-N 0 0 339.778 4.358 50 0 EIAARN CSc1cccc(-c2nnc(NC(=O)CCc3ccccc3)o2)c1 ZINC000004585604 210228122 /nfs/dbraw/zinc/22/81/22/210228122.db2.gz KJVRZVMAUPTQTN-UHFFFAOYSA-N 0 0 339.420 4.030 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccccc1OCc1ccccc1 ZINC000049549774 214017777 /nfs/dbraw/zinc/01/77/77/214017777.db2.gz WJGYVOLMUGEJFO-INIZCTEOSA-N 0 0 333.391 4.123 50 0 EIAARN COc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000004588333 210227423 /nfs/dbraw/zinc/22/74/23/210227423.db2.gz SQYJMYJIHLZVAQ-AQTBWJFISA-N 0 0 335.403 4.337 50 0 EIAARN Cc1nn(C)c2c1[C@H](c1ccccc1OCC(C)C)SCC(=O)N2 ZINC000049547582 214017573 /nfs/dbraw/zinc/01/75/73/214017573.db2.gz AAFYUQHEEZBSJZ-KRWDZBQOSA-N 0 0 345.468 4.188 50 0 EIAARN COC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2ccc(O)cc21 ZINC000004575520 210225455 /nfs/dbraw/zinc/22/54/55/210225455.db2.gz APWJDYYQSFOKEY-UHFFFAOYSA-N 0 0 343.810 4.338 50 0 EIAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2)N3)C1 ZINC000004545416 210219062 /nfs/dbraw/zinc/21/90/62/210219062.db2.gz ATHVFMNONXMGFT-QLJPJBMISA-N 0 0 328.437 4.398 50 0 EIAARN CCOC(=O)c1cn(-c2cccc(Cl)c2C)c(C)c1C(=O)OCC ZINC000004542468 210217947 /nfs/dbraw/zinc/21/79/47/210217947.db2.gz WLOAQEHUDFRCHF-UHFFFAOYSA-N 0 0 349.814 4.101 50 0 EIAARN CCOc1ccc(Br)cc1-c1nc2ccccc2c(=O)o1 ZINC000004512068 210209713 /nfs/dbraw/zinc/20/97/13/210209713.db2.gz LNIGEAKVJUEDAG-UHFFFAOYSA-N 0 0 346.180 4.016 50 0 EIAARN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000004498611 210204363 /nfs/dbraw/zinc/20/43/63/210204363.db2.gz JGZJMPITKVAOCD-PTNGSMBKSA-N 0 0 334.872 4.073 50 0 EIAARN O=C1OC(=CNOCc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000100391786 219098585 /nfs/dbraw/zinc/09/85/85/219098585.db2.gz PYXUVPZBGVVWLL-NVNXTCNLSA-N 0 0 336.174 4.184 50 0 EIAARN COc1cc2c(c(OC)c1)[C@@H](c1cccc3ccccc31)CC(=O)N2 ZINC000004489004 210202258 /nfs/dbraw/zinc/20/22/58/210202258.db2.gz FNMSIFCKCNDAOH-QGZVFWFLSA-N 0 0 333.387 4.331 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1Cl ZINC000004703880 210252971 /nfs/dbraw/zinc/25/29/71/210252971.db2.gz OYKXYBORFNNKGZ-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN Cc1ccc(C[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000100452419 219099804 /nfs/dbraw/zinc/09/98/04/219099804.db2.gz UPSVPVGJAUEQSF-CQSZACIVSA-N 0 0 347.336 4.136 50 0 EIAARN C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000004484980 210200505 /nfs/dbraw/zinc/20/05/05/210200505.db2.gz SJOODVKSVYJDCJ-VIFPVBQESA-N 0 0 349.818 4.475 50 0 EIAARN COc1ccc(CN(C(=O)c2cccs2)c2ccc(O)cc2)cc1 ZINC000004487116 210199614 /nfs/dbraw/zinc/19/96/14/210199614.db2.gz IMFLAGMTQRPIOF-UHFFFAOYSA-N 0 0 339.416 4.309 50 0 EIAARN CSc1ccccc1NC(=O)C1(c2cccs2)CCOCC1 ZINC000004478950 210198796 /nfs/dbraw/zinc/19/87/96/210198796.db2.gz XBZLLJOZGYXRPE-UHFFFAOYSA-N 0 0 333.478 4.157 50 0 EIAARN N=C1NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 ZINC000004473732 210197419 /nfs/dbraw/zinc/19/74/19/210197419.db2.gz KPVFEVMHECXJOH-WDZFZDKYSA-N 0 0 339.203 4.392 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000004427355 210191941 /nfs/dbraw/zinc/19/19/41/210191941.db2.gz WUQQBLWRKADKHW-LLVKDONJSA-N 0 0 336.218 4.350 50 0 EIAARN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1ccc(Cl)cc1 ZINC000064567320 214792468 /nfs/dbraw/zinc/79/24/68/214792468.db2.gz PSHBUTZBGIGSHH-INIZCTEOSA-N 0 0 335.190 4.233 50 0 EIAARN O=C(c1cc(F)cc(F)c1)N1CCC(CCOc2ccccc2)CC1 ZINC000064678035 214801165 /nfs/dbraw/zinc/80/11/65/214801165.db2.gz PPXSEMKOHHCRQG-UHFFFAOYSA-N 0 0 345.389 4.286 50 0 EIAARN O=C(NCc1ccco1)c1cc2sccc2n1Cc1ccccc1 ZINC000004388842 210186233 /nfs/dbraw/zinc/18/62/33/210186233.db2.gz SKEHUCFPSRGREA-UHFFFAOYSA-N 0 0 336.416 4.274 50 0 EIAARN CCOc1ccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1 ZINC000004387519 210186034 /nfs/dbraw/zinc/18/60/34/210186034.db2.gz TVMZRBZLPSQZDJ-JLJGJNDSSA-N 0 0 341.388 4.475 50 0 EIAARN Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccccc1 ZINC000064667248 214798480 /nfs/dbraw/zinc/79/84/80/214798480.db2.gz AXMXSQKJZUASRF-CQSZACIVSA-N 0 0 337.810 4.308 50 0 EIAARN COc1c2cc(F)ccc2sc1C(=O)NCc1ccc(C)cc1 ZINC000064756420 214802881 /nfs/dbraw/zinc/80/28/81/214802881.db2.gz QQDWKQZHULPTTR-UHFFFAOYSA-N 0 0 329.396 4.287 50 0 EIAARN Cc1ccc(C[C@H]2c3cc(Br)ccc3N(C)C2=O)cc1 ZINC000101014872 219113661 /nfs/dbraw/zinc/11/36/61/219113661.db2.gz QGENJHYAICJEMU-HNNXBMFYSA-N 0 0 330.225 4.060 50 0 EIAARN COc1ccc(Br)c(C[C@@H]2C(=O)Nc3c2cccc3C)c1 ZINC000101016329 219113868 /nfs/dbraw/zinc/11/38/68/219113868.db2.gz NPUGPIBPKSUUOE-AWEZNQCLSA-N 0 0 346.224 4.045 50 0 EIAARN COc1ccc2cccc(NC(=O)c3nc4ccccc4s3)c2n1 ZINC000049027949 213978299 /nfs/dbraw/zinc/97/82/99/213978299.db2.gz FKVRRINBXHYOPD-UHFFFAOYSA-N 0 0 335.388 4.105 50 0 EIAARN Cc1ccccc1NC(=O)CSC1=NC(C)(C)Nc2ccccc21 ZINC000004372234 210182098 /nfs/dbraw/zinc/18/20/98/210182098.db2.gz BIBHHAOQDQWWKL-UHFFFAOYSA-N 0 0 339.464 4.275 50 0 EIAARN Fc1ccc(-n2ncc3c2ncnc3Nc2cccc(Cl)c2)cc1 ZINC000004354558 210179185 /nfs/dbraw/zinc/17/91/85/210179185.db2.gz KSKCOYITGUKFFU-UHFFFAOYSA-N 0 0 339.761 4.352 50 0 EIAARN Cc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)o1 ZINC000064967918 214816630 /nfs/dbraw/zinc/81/66/30/214816630.db2.gz JIKQJPPZWQRPRI-UHFFFAOYSA-N 0 0 346.386 4.250 50 0 EIAARN CCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2cc(C)ccc21 ZINC000064960965 214816854 /nfs/dbraw/zinc/81/68/54/214816854.db2.gz LZRNJJUFDLOLKG-UHFFFAOYSA-N 0 0 345.402 4.355 50 0 EIAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000064983930 214820451 /nfs/dbraw/zinc/82/04/51/214820451.db2.gz VYAXMMDYPIBCEK-IBGZPJMESA-N 0 0 329.465 4.301 50 0 EIAARN COc1ccc(CCNC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1OC ZINC000004350082 210176895 /nfs/dbraw/zinc/17/68/95/210176895.db2.gz UAUBDALLXPVFIX-BPQIPLTHSA-N 0 0 347.499 4.071 50 0 EIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)s1 ZINC000004330220 210173732 /nfs/dbraw/zinc/17/37/32/210173732.db2.gz RDBHSYNXFKRTRP-UHFFFAOYSA-N 0 0 340.191 4.357 50 0 EIAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)CC(C)C)C3)n2)c1 ZINC000065135345 214830931 /nfs/dbraw/zinc/83/09/31/214830931.db2.gz VDFGSAMASDABTF-SFHVURJKSA-N 0 0 337.467 4.204 50 0 EIAARN Cc1ccsc1-c1nc(-c2ccc3c(c2)oc(=O)n3C(C)C)no1 ZINC000065138301 214831638 /nfs/dbraw/zinc/83/16/38/214831638.db2.gz XAOXGQNPVHIWKR-UHFFFAOYSA-N 0 0 341.392 4.262 50 0 EIAARN Cc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)Cc1ccsc1 ZINC000065149294 214832170 /nfs/dbraw/zinc/83/21/70/214832170.db2.gz LRSSEYGMZMWHPT-UHFFFAOYSA-N 0 0 347.465 4.473 50 0 EIAARN CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCC2 ZINC000004322458 210170826 /nfs/dbraw/zinc/17/08/26/210170826.db2.gz FSIXZPXLTWNCOO-SCRDCRAPSA-N 0 0 347.480 4.178 50 0 EIAARN C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccccc1Cl ZINC000177505741 231912673 /nfs/dbraw/zinc/91/26/73/231912673.db2.gz SQBGEFSJFQOPJB-SNVBAGLBSA-N 0 0 327.833 4.160 50 0 EIAARN Cn1c2ncccc2nc1-c1cccc(C(=O)NC2CCCCCC2)c1 ZINC000065172634 214838416 /nfs/dbraw/zinc/83/84/16/214838416.db2.gz MTVQRFQZECNZRM-UHFFFAOYSA-N 0 0 348.450 4.088 50 0 EIAARN Cc1ccc(Nc2nc(NC3CCCCC3)nc3c2cnn3C)cc1 ZINC000004323014 210169806 /nfs/dbraw/zinc/16/98/06/210169806.db2.gz IPSNIMJBBLGLRJ-UHFFFAOYSA-N 0 0 336.443 4.160 50 0 EIAARN COc1ccc(NCc2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000065154878 214834938 /nfs/dbraw/zinc/83/49/38/214834938.db2.gz CVMALCBLFWMOEU-UHFFFAOYSA-N 0 0 337.423 4.118 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccccc1Cl ZINC000004315713 210167402 /nfs/dbraw/zinc/16/74/02/210167402.db2.gz NLKPALSEHTYROG-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CCc1cccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1 ZINC000004315871 210166957 /nfs/dbraw/zinc/16/69/57/210166957.db2.gz ITBFXTMNCXQMGZ-UHFFFAOYSA-N 0 0 334.423 4.007 50 0 EIAARN Cc1ccccc1COc1coc(CN2CCc3ccccc32)cc1=O ZINC000004304496 210164721 /nfs/dbraw/zinc/16/47/21/210164721.db2.gz BEPTWIPDYXSFNH-UHFFFAOYSA-N 0 0 347.414 4.090 50 0 EIAARN O=C(CSc1ncnc2c3ccccc3oc21)c1cccs1 ZINC000004301709 210163239 /nfs/dbraw/zinc/16/32/39/210163239.db2.gz OFQHSVSIMICVEF-UHFFFAOYSA-N 0 0 326.402 4.413 50 0 EIAARN C[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccnc2)C1 ZINC000101545539 219133838 /nfs/dbraw/zinc/13/38/38/219133838.db2.gz UNIZIMLURLYACS-HXPMCKFVSA-N 0 0 330.391 4.349 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 ZINC000004275891 210158794 /nfs/dbraw/zinc/15/87/94/210158794.db2.gz MRKMEJRNNRONJR-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN Cc1oc(C(C)C)nc1C(=O)NCc1ccccc1C(F)(F)F ZINC000065293446 214867300 /nfs/dbraw/zinc/86/73/00/214867300.db2.gz DQLYBSYGECFKKA-UHFFFAOYSA-N 0 0 326.318 4.055 50 0 EIAARN Cc1ccc2cc3cc(C(=O)NCCc4ccsc4)oc3nc2c1 ZINC000065331022 214871005 /nfs/dbraw/zinc/87/10/05/214871005.db2.gz LKLTVGJSHORBOC-UHFFFAOYSA-N 0 0 336.416 4.323 50 0 EIAARN Cc1c2cc(C)ccc2oc1[C@@H]1CC(=O)Nc2c1c(C1CC1)nn2C ZINC000065370462 214877089 /nfs/dbraw/zinc/87/70/89/214877089.db2.gz RLULYSXILGACNA-CQSZACIVSA-N 0 0 335.407 4.135 50 0 EIAARN O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1 ZINC000004248204 210151564 /nfs/dbraw/zinc/15/15/64/210151564.db2.gz WCFSZVBWSXIDEE-HNNXBMFYSA-N 0 0 338.388 4.038 50 0 EIAARN OCCn1cnc(-c2ccccc2)c1-c1ccc(C(F)(F)F)cc1 ZINC000065393450 214885308 /nfs/dbraw/zinc/88/53/08/214885308.db2.gz DIGPEXOWBFHMGE-UHFFFAOYSA-N 0 0 332.325 4.228 50 0 EIAARN Cc1ccc(CC(=O)N(C)Cc2cc(Br)cs2)cc1 ZINC000048069624 213885044 /nfs/dbraw/zinc/88/50/44/213885044.db2.gz QOKAEHXNXZAGFX-UHFFFAOYSA-N 0 0 338.270 4.020 50 0 EIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nocc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004198998 210143927 /nfs/dbraw/zinc/14/39/27/210143927.db2.gz NSYTUNFHWYMMHU-RJOVDCOGSA-N 0 0 329.484 4.383 50 0 biogenic EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc2c(c1)OCO2 ZINC000004196742 210143766 /nfs/dbraw/zinc/14/37/66/210143766.db2.gz GEAMHMBWFNQRTB-UHFFFAOYSA-N 0 0 342.395 4.365 50 0 EIAARN O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)c(F)c1 ZINC000004166964 210136604 /nfs/dbraw/zinc/13/66/04/210136604.db2.gz LVAPAHXFFZSKQF-UHFFFAOYSA-N 0 0 344.386 4.061 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)c3ccnc(NC4CC4)c3)cc2)oc1C ZINC000065512574 214939284 /nfs/dbraw/zinc/93/92/84/214939284.db2.gz BBZNHJZJGRDCES-UHFFFAOYSA-N 0 0 348.406 4.180 50 0 EIAARN CCCOc1ccccc1[C@H]1Nc2sc3c(c2C(=O)N1)CCCC3 ZINC000004150493 210132068 /nfs/dbraw/zinc/13/20/68/210132068.db2.gz MZPKFJTUEIYLHP-QGZVFWFLSA-N 0 0 342.464 4.270 50 0 EIAARN O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCCCC1 ZINC000004145799 210131906 /nfs/dbraw/zinc/13/19/06/210131906.db2.gz PTEDWRICVFBDJZ-UHFFFAOYSA-N 0 0 331.419 4.165 50 0 EIAARN COc1ccc(NC(=O)c2c(C)oc3ccc(O)cc32)cc1Cl ZINC000004136954 210129969 /nfs/dbraw/zinc/12/99/69/210129969.db2.gz POESYTSDLKHOKB-UHFFFAOYSA-N 0 0 331.755 4.361 50 0 EIAARN CSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1 ZINC000004134753 210129869 /nfs/dbraw/zinc/12/98/69/210129869.db2.gz LFSFZGXABLTIEJ-UHFFFAOYSA-N 0 0 347.446 4.473 50 0 EIAARN CCOc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000004138193 210128659 /nfs/dbraw/zinc/12/86/59/210128659.db2.gz ANKUIYZOFIUBHC-UHFFFAOYSA-N 0 0 348.446 4.375 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F ZINC000047157801 213833167 /nfs/dbraw/zinc/83/31/67/213833167.db2.gz KMEUVONMICTVQF-UHFFFAOYSA-N 0 0 343.333 4.137 50 0 EIAARN CC(=O)c1c(C)cc(C)c(CN(C[C@@H](C)O)c2ccccc2)c1C ZINC000065575251 214965607 /nfs/dbraw/zinc/96/56/07/214965607.db2.gz RCPGVSYWZVANHR-MRXNPFEDSA-N 0 0 325.452 4.202 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000046899667 213815768 /nfs/dbraw/zinc/81/57/68/213815768.db2.gz BSUCMPHEDDCVKF-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2Cl)cc1 ZINC000004120256 210125289 /nfs/dbraw/zinc/12/52/89/210125289.db2.gz NOYIHMYJTJJJMV-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN O=C(c1cccc(F)c1)N1CCN=C1SCc1ccc(Cl)cc1 ZINC000004120071 210124584 /nfs/dbraw/zinc/12/45/84/210124584.db2.gz PRYMPEIMBVLLIT-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN COC(=O)c1scc(C)c1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000004104987 210121055 /nfs/dbraw/zinc/12/10/55/210121055.db2.gz UCOAPZIYDWAHAN-VMPITWQZSA-N 0 0 335.812 4.148 50 0 EIAARN CC(C)N(Cc1cccnc1)C(=O)c1cnc(-c2cccs2)s1 ZINC000065615134 214982289 /nfs/dbraw/zinc/98/22/89/214982289.db2.gz ADZUXSNCFUGWLV-UHFFFAOYSA-N 0 0 343.477 4.317 50 0 EIAARN CC(=O)c1sc(NC(=O)c2cc(Cl)ccc2Cl)nc1C ZINC000004072591 210113482 /nfs/dbraw/zinc/11/34/82/210113482.db2.gz FMRMTMVEAQRKLJ-UHFFFAOYSA-N 0 0 329.208 4.213 50 0 EIAARN CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccco2)nc1C ZINC000101815997 219166060 /nfs/dbraw/zinc/16/60/60/219166060.db2.gz DYPGUHMBPTZMCA-UHFFFAOYSA-N 0 0 340.354 4.440 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1ccc(Br)cc1F ZINC000004070180 210111330 /nfs/dbraw/zinc/11/13/30/210111330.db2.gz UIORYTSFJOEIMV-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN O=[S@](Cc1cc(Cl)nc(-c2ccccc2)n1)c1ccccc1 ZINC000004060065 210110441 /nfs/dbraw/zinc/11/04/41/210110441.db2.gz YXOAJQDUIOYQCQ-QFIPXVFZSA-N 0 0 328.824 4.105 50 0 EIAARN CCOc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1 ZINC000004061316 210110596 /nfs/dbraw/zinc/11/05/96/210110596.db2.gz MQBYBDXEXUDGET-UHFFFAOYSA-N 0 0 339.464 4.022 50 0 EIAARN S=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1cccs1 ZINC000004059450 210110048 /nfs/dbraw/zinc/11/00/48/210110048.db2.gz HYADCKGBAXLVGN-QGZVFWFLSA-N 0 0 339.489 4.352 50 0 EIAARN Cc1sc2ncnc(SCC(=O)Nc3ccc(C)cc3)c2c1C ZINC000004056281 210109238 /nfs/dbraw/zinc/10/92/38/210109238.db2.gz WIKFDDPGZWDHAB-UHFFFAOYSA-N 0 0 343.477 4.347 50 0 EIAARN CCOc1ccccc1N[C@H]1c2ccccc2C(=O)N1c1cccnc1 ZINC000004057720 210109326 /nfs/dbraw/zinc/10/93/26/210109326.db2.gz OBWYDEGEALWODV-HXUWFJFHSA-N 0 0 345.402 4.251 50 0 aggregator EIAARN CSc1nc2c(c(C)n1)CCN2c1ccc(C(F)(F)F)cc1 ZINC000004051454 210109149 /nfs/dbraw/zinc/10/91/49/210109149.db2.gz BLBCSIGPOQVMIW-UHFFFAOYSA-N 0 0 325.359 4.220 50 0 EIAARN C[C@@H]1CCc2c(sc3ncn4c(CCc5ccccc5)nnc4c23)C1 ZINC000004056132 210108850 /nfs/dbraw/zinc/10/88/50/210108850.db2.gz SVGHOZOHFYXKOE-CYBMUJFWSA-N 0 0 348.475 4.249 50 0 EIAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(C2CC2)on1 ZINC000065880376 214998162 /nfs/dbraw/zinc/99/81/62/214998162.db2.gz PJIABFCCDKOVKU-UHFFFAOYSA-N 0 0 347.418 4.098 50 0 EIAARN CCCCc1ccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1 ZINC000004033313 210104428 /nfs/dbraw/zinc/10/44/28/210104428.db2.gz CIXRAYITPAQJLK-KRWDZBQOSA-N 0 0 347.462 4.436 50 0 EIAARN Cc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1 ZINC000004037836 210106504 /nfs/dbraw/zinc/10/65/04/210106504.db2.gz UMMPANZLVAPUTR-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Cc1c(O[C@H](C)C(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000004038769 210105789 /nfs/dbraw/zinc/10/57/89/210105789.db2.gz GSEOBYJTSSFFMK-CQSZACIVSA-N 0 0 348.398 4.240 50 0 biogenic EIAARN O=C(NCc1ccc(F)cc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC000066089040 215009056 /nfs/dbraw/zinc/00/90/56/215009056.db2.gz DZTBRMGVTWYVLX-UHFFFAOYSA-N 0 0 348.736 4.203 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccccc1 ZINC000003908251 210091141 /nfs/dbraw/zinc/09/11/41/210091141.db2.gz AXKCYUDBYGWJIR-GFCCVEGCSA-N 0 0 326.783 4.486 50 0 EIAARN Cc1cccc(C)c1Nc1c(-c2ccccc2O)nc2cnccn21 ZINC000003896540 210086082 /nfs/dbraw/zinc/08/60/82/210086082.db2.gz PJBIHOJRAKNCGR-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN O=C(OCCCc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000003892238 210085062 /nfs/dbraw/zinc/08/50/62/210085062.db2.gz DJUUFBXJNREIER-UHFFFAOYSA-N 0 0 338.451 4.255 50 0 EIAARN Cc1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003878139 210082599 /nfs/dbraw/zinc/08/25/99/210082599.db2.gz FHRPSXOLZBOSPO-UHFFFAOYSA-N 0 0 328.481 4.024 50 0 EIAARN Cc1nnc([C@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)o1 ZINC000066260964 215029655 /nfs/dbraw/zinc/02/96/55/215029655.db2.gz XIAVIZHMBURYHR-JTQLQIEISA-N 0 0 330.413 4.405 50 0 EIAARN Cc1ccc(/C(=C\C[NH+]2CCCC2)c2cccc(/C=C/C(=O)[O-])n2)cc1 ZINC000003776633 210075435 /nfs/dbraw/zinc/07/54/35/210075435.db2.gz PWACSDKDOHSSQD-IUTFFREVSA-N 0 0 348.446 4.015 50 0 fda EIAARN Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000003654777 210072541 /nfs/dbraw/zinc/07/25/41/210072541.db2.gz CRMBNKNHUUADSE-UHFFFAOYSA-N 0 0 334.419 4.072 50 0 EIAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)NC1CCCCC1 ZINC000003606461 210064597 /nfs/dbraw/zinc/06/45/97/210064597.db2.gz PTNPKBVSURPPCK-UHFFFAOYSA-N 0 0 327.424 4.139 50 0 EIAARN O=C(CSc1nc2ccccc2s1)NCc1ccccc1Cl ZINC000003602827 210063923 /nfs/dbraw/zinc/06/39/23/210063923.db2.gz XCOITWGOSWPTRD-UHFFFAOYSA-N 0 0 348.880 4.358 50 0 EIAARN COc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C)cc1 ZINC000003612599 210066222 /nfs/dbraw/zinc/06/62/22/210066222.db2.gz FJCQKMWHKAZJLF-ZDUSSCGKSA-N 0 0 335.407 4.328 50 0 EIAARN O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccccc1Cl ZINC000003582961 210058468 /nfs/dbraw/zinc/05/84/68/210058468.db2.gz PLHLRIDQHXBFQJ-UHFFFAOYSA-N 0 0 342.870 4.233 50 0 EIAARN COc1ccc(Br)c(C(=O)NC2CCCCCCC2)c1 ZINC000003566918 210057352 /nfs/dbraw/zinc/05/73/52/210057352.db2.gz BRWCPFNFXQALGR-UHFFFAOYSA-N 0 0 340.261 4.300 50 0 EIAARN COc1ccc(CC(=O)Nc2c(C)cccc2C(C)C)cc1OC ZINC000003592089 210060469 /nfs/dbraw/zinc/06/04/69/210060469.db2.gz OVUSWUPYRYFHLV-UHFFFAOYSA-N 0 0 327.424 4.317 50 0 EIAARN COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)cc(OC)c1C ZINC000003592132 210060665 /nfs/dbraw/zinc/06/06/65/210060665.db2.gz FEYGKNJLSQPQSF-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN CC(=O)c1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000003549978 210051576 /nfs/dbraw/zinc/05/15/76/210051576.db2.gz UEMYSVMOBGNVEU-ZDUSSCGKSA-N 0 0 332.783 4.224 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)NCc1cccc(C(F)(F)F)c1 ZINC000003455556 210044708 /nfs/dbraw/zinc/04/47/08/210044708.db2.gz ITGFZHAEAHJUHR-UHFFFAOYSA-N 0 0 345.723 4.357 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC1CCCCC1 ZINC000003456107 210044513 /nfs/dbraw/zinc/04/45/13/210044513.db2.gz AEMGYSOWBGQIOJ-UHFFFAOYSA-N 0 0 331.847 4.144 50 0 EIAARN CCc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 ZINC000066803636 215081117 /nfs/dbraw/zinc/08/11/17/215081117.db2.gz RFGATRLNHZLQMV-UHFFFAOYSA-N 0 0 346.434 4.096 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1OCC ZINC000003434452 210038496 /nfs/dbraw/zinc/03/84/96/210038496.db2.gz RWVJYUXCXSTLLS-CQSZACIVSA-N 0 0 328.412 4.367 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)c1 ZINC000003437971 210039209 /nfs/dbraw/zinc/03/92/09/210039209.db2.gz CWSSDKGPFKJFPI-ZDUSSCGKSA-N 0 0 340.448 4.297 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1OCC ZINC000003418045 210034343 /nfs/dbraw/zinc/03/43/43/210034343.db2.gz VANLIWNBTQAOTN-UHFFFAOYSA-N 0 0 325.408 4.225 50 0 EIAARN COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)N1CCc2ccccc21 ZINC000003416359 210033117 /nfs/dbraw/zinc/03/31/17/210033117.db2.gz AJOQCCWWYZFMFJ-CYBMUJFWSA-N 0 0 344.842 4.047 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000003433323 210037325 /nfs/dbraw/zinc/03/73/25/210037325.db2.gz WDBFGKQZAGYOPH-UHFFFAOYSA-N 0 0 326.215 4.162 50 0 EIAARN Cc1ccc(CN(C)CC(=O)Nc2ccccc2Cc2ccccc2)o1 ZINC000003413281 210031187 /nfs/dbraw/zinc/03/11/87/210031187.db2.gz KUJBFAVXSIOYRZ-UHFFFAOYSA-N 0 0 348.446 4.249 50 0 EIAARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1OC ZINC000102726957 219225386 /nfs/dbraw/zinc/22/53/86/219225386.db2.gz FYDRMRYXWMIXSK-QGZVFWFLSA-N 0 0 340.379 4.214 50 0 EIAARN C[C@H](SCc1ccccc1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000044465621 213626273 /nfs/dbraw/zinc/62/62/73/213626273.db2.gz XOPZEMCXRMQRAA-HNNXBMFYSA-N 0 0 337.448 4.133 50 0 EIAARN COc1ccc(OC)c([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c1 ZINC000102730270 219225677 /nfs/dbraw/zinc/22/56/77/219225677.db2.gz DWZAUAJBXGFMIK-KRWDZBQOSA-N 0 0 340.379 4.214 50 0 EIAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000102755328 219227803 /nfs/dbraw/zinc/22/78/03/219227803.db2.gz JNIWQOWJKOZQPN-QGZVFWFLSA-N 0 0 329.396 4.287 50 0 EIAARN O=C1C[C@@H](c2ccco2)CC2=Nc3nonc3N[C@H](c3ccccc3)C12 ZINC000102744011 219227130 /nfs/dbraw/zinc/22/71/30/219227130.db2.gz AHOFYAJZRCKICY-YVEFUNNKSA-N 0 0 348.362 4.292 50 0 EIAARN CC[C@H]1CCCCN1Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000003369210 210019499 /nfs/dbraw/zinc/01/94/99/210019499.db2.gz AOGZVYGQJQUGRR-NSHDSACASA-N 0 0 345.299 4.394 50 0 EIAARN CC[C@@H]1CCc2sc(C(=O)NCc3ccc(OC)cc3)cc2C1 ZINC000003359651 210017828 /nfs/dbraw/zinc/01/78/28/210017828.db2.gz XCHNDSPZKBUROJ-CYBMUJFWSA-N 0 0 329.465 4.202 50 0 EIAARN O=C(Cn1ccc2ccccc21)Nc1ccccc1OC(F)(F)F ZINC000044225843 213613520 /nfs/dbraw/zinc/61/35/20/213613520.db2.gz KKONZSISKFGCIM-UHFFFAOYSA-N 0 0 334.297 4.179 50 0 EIAARN Cc1csc(N(C(=O)Cc2ccccc2F)c2ccccc2)n1 ZINC000003346001 210015073 /nfs/dbraw/zinc/01/50/73/210015073.db2.gz LQRXFSKCZASLLT-UHFFFAOYSA-N 0 0 326.396 4.498 50 0 EIAARN C[C@@H]1CCC[C@H](C)N1Cn1nc2sc3ccccc3n2c1=S ZINC000003348574 210015013 /nfs/dbraw/zinc/01/50/13/210015013.db2.gz BWDRHCSBSLPDTB-TXEJJXNPSA-N 0 0 332.498 4.300 50 0 EIAARN C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000003342376 210013273 /nfs/dbraw/zinc/01/32/73/210013273.db2.gz OADBGAHJNNOUNU-SNVBAGLBSA-N 0 0 327.277 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O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000040082834 213259066 /nfs/dbraw/zinc/25/90/66/213259066.db2.gz ADZLSLJKLLVYKX-KSSFIOAISA-N 0 0 327.403 4.011 50 0 EIAARN COc1ccc(-c2nc(CN(C)[C@@H]3CCc4ccccc43)co2)cc1 ZINC000040050671 213255520 /nfs/dbraw/zinc/25/55/20/213255520.db2.gz YRMORPFGWBHIEC-HXUWFJFHSA-N 0 0 334.419 4.470 50 0 EIAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)N1CCCC1 ZINC000040070029 213258315 /nfs/dbraw/zinc/25/83/15/213258315.db2.gz PSVDGZQVIXYLCI-UHFFFAOYSA-N 0 0 337.139 4.096 50 0 EIAARN CN(Cc1ccc(Cl)cc1)C(=O)NCCCOCc1ccccc1 ZINC000040069030 213256838 /nfs/dbraw/zinc/25/68/38/213256838.db2.gz DXXFRGTUYXKKCA-UHFFFAOYSA-N 0 0 346.858 4.088 50 0 EIAARN O=C(NCCCOC1CCCCC1)c1ccccc1C(F)(F)F ZINC000040017255 213251585 /nfs/dbraw/zinc/25/15/85/213251585.db2.gz RVLSLZZCVWRDNF-UHFFFAOYSA-N 0 0 329.362 4.175 50 0 EIAARN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 ZINC000040047644 213254441 /nfs/dbraw/zinc/25/44/41/213254441.db2.gz IBSKKEGSCUSRHM-UHFFFAOYSA-N 0 0 347.418 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334.350 4.330 50 0 EIAARN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1 ZINC000001111199 209711411 /nfs/dbraw/zinc/71/14/11/209711411.db2.gz ASGGGFGAIZUNRF-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc(N)c1C(=O)OC(C)C ZINC000001003221 209698406 /nfs/dbraw/zinc/69/84/06/209698406.db2.gz JEVHAQAKNBSVMC-UHFFFAOYSA-N 0 0 346.452 4.073 50 0 EIAARN Cc1cc2oc(=O)c3c(c2cc1OC(=O)c1ccccc1)CCCC3 ZINC000001050211 209703583 /nfs/dbraw/zinc/70/35/83/209703583.db2.gz XXHHBZFKPZMRGD-UHFFFAOYSA-N 0 0 334.371 4.199 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)NC(=O)Nc1ccc(Cl)cc1 ZINC000001048717 209702468 /nfs/dbraw/zinc/70/24/68/209702468.db2.gz LQWCHMVGKLMCPH-UHFFFAOYSA-N 0 0 341.169 4.023 50 0 EIAARN CCOc1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1 ZINC000001017414 209701676 /nfs/dbraw/zinc/70/16/76/209701676.db2.gz POAWPQXZFKFUGW-UHFFFAOYSA-N 0 0 334.347 4.226 50 0 EIAARN CCN(C(=O)c1sc2nc(C)cc(C)c2c1N)c1cccc(C)c1 ZINC000000950138 209695928 /nfs/dbraw/zinc/69/59/28/209695928.db2.gz GPJSEFHXKRBRFH-UHFFFAOYSA-N 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GPSHFOIJHXCVOD-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN COc1ccc(-c2nc3sc4c(c3c(N)n2)C[C@@H](C)CC4)cc1 ZINC000000501093 209636844 /nfs/dbraw/zinc/63/68/44/209636844.db2.gz VSBYZMZUBFJLAP-JTQLQIEISA-N 0 0 325.437 4.074 50 0 EIAARN CC[C@@H](C)[C@H](C)N(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CC1 ZINC000069778615 215579949 /nfs/dbraw/zinc/57/99/49/215579949.db2.gz OVBBZOHPPPOFAZ-KGLIPLIRSA-N 0 0 345.443 4.074 50 0 EIAARN CCN(C(C)=O)c1nc(-c2nc3c(cccc3F)n2C2CC2)cs1 ZINC000069836287 215597306 /nfs/dbraw/zinc/59/73/06/215597306.db2.gz SOKLMSGVOHWXGP-UHFFFAOYSA-N 0 0 344.415 4.007 50 0 EIAARN CC(C)CNC(=O)c1cc2sccc2n1CCOc1ccccc1 ZINC000037526182 213154452 /nfs/dbraw/zinc/15/44/52/213154452.db2.gz NXUALLUVQMFTAM-UHFFFAOYSA-N 0 0 342.464 4.168 50 0 EIAARN Cc1cc2c(cc(C(=O)NCC3CC3)n2Cc2cccc(F)c2)s1 ZINC000037526229 213154194 /nfs/dbraw/zinc/15/41/94/213154194.db2.gz GKRHKPWYACHBAA-UHFFFAOYSA-N 0 0 342.439 4.338 50 0 EIAARN CC(C)CCSCC(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000069876841 215616965 /nfs/dbraw/zinc/61/69/65/215616965.db2.gz RAAVZNHAXRFRES-ZDUSSCGKSA-N 0 0 349.525 4.162 50 0 EIAARN O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)N1C1CCCCC1 ZINC000037246090 213136017 /nfs/dbraw/zinc/13/60/17/213136017.db2.gz IRYDNJWLTHHGAO-PMACEKPBSA-N 0 0 333.431 4.138 50 0 EIAARN CCc1c(C)sc(NC(=O)c2ccc(C(C)C)cc2)c1C(N)=O ZINC000000475353 209624887 /nfs/dbraw/zinc/62/48/87/209624887.db2.gz MZUXNQXIUPIORN-UHFFFAOYSA-N 0 0 330.453 4.094 50 0 EIAARN Cc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)o1 ZINC000000474110 209625023 /nfs/dbraw/zinc/62/50/23/209625023.db2.gz JJNNCBJYWSPDGU-CMDGGOBGSA-N 0 0 347.436 4.483 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000475552 209624704 /nfs/dbraw/zinc/62/47/04/209624704.db2.gz HCRNEJDDKQWLHQ-CHWSQXEVSA-N 0 0 334.188 4.330 50 0 EIAARN CC(C)CN1C(=O)c2ccc(-c3nc4ccccc4s3)cc2C1=O ZINC000000468273 209619709 /nfs/dbraw/zinc/61/97/09/209619709.db2.gz ZPMNVHLAEKJWKV-UHFFFAOYSA-N 0 0 336.416 4.215 50 0 EIAARN COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(OC)c1 ZINC000000462011 209615314 /nfs/dbraw/zinc/61/53/14/209615314.db2.gz WWUGTQLHCIGQOW-UHFFFAOYSA-N 0 0 349.814 4.153 50 0 EIAARN COc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1OC(C)C ZINC000036697908 213110673 /nfs/dbraw/zinc/11/06/73/213110673.db2.gz NCQAMHWHDPDFPX-CQSZACIVSA-N 0 0 325.408 4.074 50 0 EIAARN Cc1cc(OCC(=O)Nc2ccc(F)cc2F)cc(C)c1Cl ZINC000000449775 209607179 /nfs/dbraw/zinc/60/71/79/209607179.db2.gz CDRCZCGPWMRSQK-UHFFFAOYSA-N 0 0 325.742 4.253 50 0 EIAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCCC[C@@H]1C ZINC000036616836 213102418 /nfs/dbraw/zinc/10/24/18/213102418.db2.gz UYRYLDYJTKWPPI-HNNXBMFYSA-N 0 0 348.450 4.133 50 0 EIAARN O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1ccccc1F ZINC000036621211 213105478 /nfs/dbraw/zinc/10/54/78/213105478.db2.gz WAPKLVLRGRGPQB-OAHLLOKOSA-N 0 0 326.327 4.051 50 0 EIAARN COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1ccccc1C ZINC000036620769 213105200 /nfs/dbraw/zinc/10/52/00/213105200.db2.gz AMNKLXMYZAGIFX-HNNXBMFYSA-N 0 0 344.436 4.212 50 0 EIAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000036619716 213103574 /nfs/dbraw/zinc/10/35/74/213103574.db2.gz COZPZSJMMRHASC-GOSISDBHSA-N 0 0 349.883 4.428 50 0 EIAARN Cc1ccc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c(C)c1 ZINC000036611895 213102084 /nfs/dbraw/zinc/10/20/84/213102084.db2.gz YVNLKKCXSGQVAK-MRXNPFEDSA-N 0 0 346.789 4.228 50 0 EIAARN Cc1ccccc1OCCN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC000036390230 213094576 /nfs/dbraw/zinc/09/45/76/213094576.db2.gz QOKYJCBCTGNAJJ-UHFFFAOYSA-N 0 0 343.423 4.500 50 0 EIAARN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1F ZINC000036390389 213094500 /nfs/dbraw/zinc/09/45/00/213094500.db2.gz LMHGMIDPLUOYBX-SDDRHHMPSA-N 0 0 332.341 4.307 50 0 EIAARN CCC[N@@H+](Cc1ccc(C)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000036403728 213097857 /nfs/dbraw/zinc/09/78/57/213097857.db2.gz BJBJHMITORQSIE-UHFFFAOYSA-N 0 0 327.453 4.118 50 0 EIAARN C[C@@H](NC(=O)CC(C)(C)C)c1ccc(OCc2cccnc2)cc1 ZINC000036396014 213097075 /nfs/dbraw/zinc/09/70/75/213097075.db2.gz LXQIXINTRGMDDW-OAHLLOKOSA-N 0 0 326.440 4.274 50 0 EIAARN COc1cc(C)c([C@H](C)NC(=O)c2ccccc2Cl)cc1OC ZINC000036394082 213096116 /nfs/dbraw/zinc/09/61/16/213096116.db2.gz SLPJJLPLMVICIN-LBPRGKRZSA-N 0 0 333.815 4.157 50 0 EIAARN CCCCCC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 ZINC000036392922 213095764 /nfs/dbraw/zinc/09/57/64/213095764.db2.gz VAYUWNYSUKKYKS-UHFFFAOYSA-N 0 0 328.412 4.188 50 0 EIAARN Cc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1C ZINC000036392749 213095575 /nfs/dbraw/zinc/09/55/75/213095575.db2.gz NQSGPJROPXPDPH-UHFFFAOYSA-N 0 0 346.430 4.207 50 0 EIAARN CCO[P@](C)(=O)[C@H](C(N)=O)c1csc2ccc(Cl)cc21 ZINC000036377909 213091332 /nfs/dbraw/zinc/09/13/32/213091332.db2.gz VGOZVZRZLDCLIO-BUXKBTBVSA-N 0 0 331.761 4.026 50 0 EIAARN COc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000036366254 213090807 /nfs/dbraw/zinc/09/08/07/213090807.db2.gz WEUQMLHMUYYWQT-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN O=C1C[C@H](c2c(F)cccc2F)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036358022 213089060 /nfs/dbraw/zinc/08/90/60/213089060.db2.gz KFHBEQSJEMSNAU-GFCCVEGCSA-N 0 0 343.308 4.413 50 0 EIAARN COc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1 ZINC000036357028 213088739 /nfs/dbraw/zinc/08/87/39/213088739.db2.gz QYWFONFRXLAMPX-AWEZNQCLSA-N 0 0 343.452 4.266 50 0 EIAARN O=C(Nc1nccs1)c1cc2occc2n1Cc1ccccc1F ZINC000036354217 213088010 /nfs/dbraw/zinc/08/80/10/213088010.db2.gz DSCVXJMTMYNKTC-UHFFFAOYSA-N 0 0 341.367 4.131 50 0 EIAARN Nc1nc2c(s1)[C@@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 ZINC000036352914 213087509 /nfs/dbraw/zinc/08/75/09/213087509.db2.gz VSLCEGDXQAKEIF-CYBMUJFWSA-N 0 0 329.425 4.170 50 0 EIAARN O=C(NC[C@@H](O)c1cccc2ccccc21)c1c(F)cccc1Cl ZINC000070636001 215700873 /nfs/dbraw/zinc/70/08/73/215700873.db2.gz VQDBBXVQJLLTPO-QGZVFWFLSA-N 0 0 343.785 4.096 50 0 EIAARN Cc1ccc(-c2cc(CN(CC(C)C)C(=O)C3CC3)no2)c(C)c1 ZINC000036012337 213054976 /nfs/dbraw/zinc/05/49/76/213054976.db2.gz HTISUZNPJUKMND-UHFFFAOYSA-N 0 0 326.440 4.353 50 0 EIAARN O=C(c1cccc(F)c1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000035818472 213050865 /nfs/dbraw/zinc/05/08/65/213050865.db2.gz YACUVLQXXKXXQY-IBGZPJMESA-N 0 0 338.357 4.012 50 0 EIAARN Cc1ccccc1C(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000035818469 213050443 /nfs/dbraw/zinc/05/04/43/213050443.db2.gz YGGQBGFFWJEDGB-HXUWFJFHSA-N 0 0 334.394 4.181 50 0 EIAARN COc1ccc(CNc2cc(C)ccc2OC)cc1Br ZINC000000437572 209599641 /nfs/dbraw/zinc/59/96/41/209599641.db2.gz NHZCJCVRPIBXCW-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN Clc1ccc(NC2(c3nnnn3-c3ccccc3)CCCC2)cc1 ZINC000035622443 213043268 /nfs/dbraw/zinc/04/32/68/213043268.db2.gz KQXXYNFYYILNCL-UHFFFAOYSA-N 0 0 339.830 4.197 50 0 EIAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)CCCC2 ZINC000035671495 213045425 /nfs/dbraw/zinc/04/54/25/213045425.db2.gz MOCPNTHHUAWKCH-UHFFFAOYSA-N 0 0 339.420 4.238 50 0 EIAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000035671487 213044858 /nfs/dbraw/zinc/04/48/58/213044858.db2.gz ULQPHJHAQNADQG-LLVKDONJSA-N 0 0 337.379 4.015 50 0 EIAARN Cc1cc(SCC(=O)Nc2ccccc2)nc2ccc(F)cc12 ZINC000035586338 213040763 /nfs/dbraw/zinc/04/07/63/213040763.db2.gz QXJUJZATZPUOPG-UHFFFAOYSA-N 0 0 326.396 4.413 50 0 EIAARN O=C(Nc1ccc(NC2CCOCC2)cc1)c1c(F)cccc1Cl ZINC000071185593 215740558 /nfs/dbraw/zinc/74/05/58/215740558.db2.gz WUIRTTUCRLKDPY-UHFFFAOYSA-N 0 0 348.805 4.322 50 0 EIAARN COc1ccc(NC(=O)c2c(C)onc2-c2cccc(F)c2)cc1 ZINC000035536476 213035989 /nfs/dbraw/zinc/03/59/89/213035989.db2.gz LEGWQMYKURWKBV-UHFFFAOYSA-N 0 0 326.327 4.050 50 0 EIAARN CCc1c(C)sc(NC(=O)/C=C/c2cccc(Cl)c2)c1C(N)=O ZINC000000433984 209598530 /nfs/dbraw/zinc/59/85/30/209598530.db2.gz IRGKELAKRQQJOJ-BQYQJAHWSA-N 0 0 348.855 4.023 50 0 EIAARN CC(C)c1ccc(NC(=O)CN2c3ccccc3C(C)(C)C2=O)cc1 ZINC000035398853 213026410 /nfs/dbraw/zinc/02/64/10/213026410.db2.gz RGTWUUNLSWOZEA-UHFFFAOYSA-N 0 0 336.435 4.073 50 0 EIAARN O=C(CC1CCCC1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399410 213026326 /nfs/dbraw/zinc/02/63/26/213026326.db2.gz CJDVREDWECRJHM-UHFFFAOYSA-N 0 0 349.478 4.301 50 0 biogenic EIAARN Cc1ccsc1/C=C1\N=C(c2cccc(Br)c2)OC1=O ZINC000000430356 209596229 /nfs/dbraw/zinc/59/62/29/209596229.db2.gz OKPGHTJKKVKZIG-WQLSENKSSA-N 0 0 348.221 4.164 50 0 EIAARN C[C@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1Cl ZINC000035264448 213017157 /nfs/dbraw/zinc/01/71/57/213017157.db2.gz WIVJBYVXXYHBGN-QWHCGFSZSA-N 0 0 348.899 4.198 50 0 EIAARN O=C(/C=C\c1ccc(Br)o1)Nc1ccccc1Cl ZINC000035080365 213007213 /nfs/dbraw/zinc/00/72/13/213007213.db2.gz UZAPFSQSPLZCGO-VURMDHGXSA-N 0 0 326.577 4.347 50 0 EIAARN COc1cccc(CC(=O)Nc2ccn(-c3ccc(C(C)C)cc3)n2)c1 ZINC000034909333 212997237 /nfs/dbraw/zinc/99/72/37/212997237.db2.gz XZTGYWINPXPUOZ-UHFFFAOYSA-N 0 0 349.434 4.186 50 0 EIAARN Cc1cc2ccccc2n1CCNC(=O)c1ccccc1C(F)(F)F ZINC000000427914 209592951 /nfs/dbraw/zinc/59/29/51/209592951.db2.gz MCUXOYZIKGUZCD-UHFFFAOYSA-N 0 0 346.352 4.399 50 0 EIAARN COCc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)o1 ZINC000071779866 215827101 /nfs/dbraw/zinc/82/71/01/215827101.db2.gz BGDJJSIFFWQUSK-MRXNPFEDSA-N 0 0 345.414 4.050 50 0 EIAARN O=C(NCc1ccco1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425700 209588826 /nfs/dbraw/zinc/58/88/26/209588826.db2.gz IUGMKBGUAPDNLM-UHFFFAOYSA-N 0 0 337.162 4.171 50 0 EIAARN CC1CCN(C(=O)c2csc(Nc3ccc(F)c(F)c3)n2)CC1 ZINC000033280758 212915374 /nfs/dbraw/zinc/91/53/74/212915374.db2.gz YDXAMJUBUREPIV-UHFFFAOYSA-N 0 0 337.395 4.037 50 0 EIAARN O=C(Nc1cccc(Br)c1)c1cc(-c2ccccc2)no1 ZINC000033145280 212903181 /nfs/dbraw/zinc/90/31/81/212903181.db2.gz UMQXEFFBRWABKS-UHFFFAOYSA-N 0 0 343.180 4.356 50 0 EIAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2NC2CCCC2)n1 ZINC000033249796 212909418 /nfs/dbraw/zinc/90/94/18/212909418.db2.gz UQMCYJDTOVKGBY-UHFFFAOYSA-N 0 0 341.846 4.440 50 0 EIAARN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 ZINC000032961157 212882007 /nfs/dbraw/zinc/88/20/07/212882007.db2.gz MXCFWECKHWRTIY-UHFFFAOYSA-N 0 0 339.420 4.206 50 0 EIAARN O=C(c1cccc(-c2noc(-c3cccs3)n2)c1)N1CCCCC1 ZINC000032996626 212886476 /nfs/dbraw/zinc/88/64/76/212886476.db2.gz GDDGURPBIMMSFB-UHFFFAOYSA-N 0 0 339.420 4.091 50 0 EIAARN COc1ccc(/C=C/C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC000032922943 212872901 /nfs/dbraw/zinc/87/29/01/212872901.db2.gz XFKVUQCVTNOZQA-LMQXARLESA-N 0 0 343.467 4.144 50 0 EIAARN CC(C)c1noc(-c2ccc(NC(=O)N(C)Cc3ccco3)cc2)n1 ZINC000071892652 215929731 /nfs/dbraw/zinc/92/97/31/215929731.db2.gz RLGUHHOESFXTCX-UHFFFAOYSA-N 0 0 340.383 4.117 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccccc2Cl)cc1OC ZINC000032895160 212862638 /nfs/dbraw/zinc/86/26/38/212862638.db2.gz PENQEIBSPYLKQI-INIZCTEOSA-N 0 0 345.826 4.335 50 0 EIAARN Cc1cccc(/C=C(/C(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccs2)c1 ZINC000032906690 212867787 /nfs/dbraw/zinc/86/77/87/212867787.db2.gz VWFJKGKGKSAAQE-LLAMLJDKSA-N 0 0 341.476 4.233 50 0 EIAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1ccncc1 ZINC000032845910 212856925 /nfs/dbraw/zinc/85/69/25/212856925.db2.gz OMWODDQBBDQPJL-FQEVSTJZSA-N 0 0 328.371 4.347 50 0 EIAARN CC1(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC000071914439 215960246 /nfs/dbraw/zinc/96/02/46/215960246.db2.gz CVIJKCRPDVCVOF-QGZVFWFLSA-N 0 0 335.875 4.192 50 0 EIAARN Cc1cc2cc([C@@H]3Nc4ccccc4C(=O)N3)c(Cl)nc2cc1C ZINC000000421627 209582938 /nfs/dbraw/zinc/58/29/38/209582938.db2.gz WMOYNROIDZYCCB-GOSISDBHSA-N 0 0 337.810 4.359 50 0 EIAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1NC1CCCCC1 ZINC000032642900 212821384 /nfs/dbraw/zinc/82/13/84/212821384.db2.gz GNDZQZFMWRZODS-UHFFFAOYSA-N 0 0 327.428 4.168 50 0 EIAARN Cc1ccc(-c2nc(C(=O)N(C)Cc3ccc(C)cc3)cs2)o1 ZINC000032680615 212826206 /nfs/dbraw/zinc/82/62/06/212826206.db2.gz AFOMQSWCRHTRSE-UHFFFAOYSA-N 0 0 326.421 4.292 50 0 EIAARN O=c1cc(COc2ccc(F)cc2F)c2cc3c(cc2o1)CCC3 ZINC000032672227 212825522 /nfs/dbraw/zinc/82/55/22/212825522.db2.gz OYWSDVXRDMVFKJ-UHFFFAOYSA-N 0 0 328.314 4.139 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)C1(C)C ZINC000032282647 212795150 /nfs/dbraw/zinc/79/51/50/212795150.db2.gz COQILXKXMUTOMO-OGWOLHLISA-N 0 0 343.467 4.264 50 0 EIAARN Oc1ccc(-c2ccc(-c3nc(-c4ccccc4F)no3)cn2)cc1 ZINC000072129249 216019123 /nfs/dbraw/zinc/01/91/23/216019123.db2.gz VXLLMBVVTUURNE-UHFFFAOYSA-N 0 0 333.322 4.310 50 0 EIAARN Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000072119389 216013820 /nfs/dbraw/zinc/01/38/20/216013820.db2.gz JPUUMRISLHSZQY-UHFFFAOYSA-N 0 0 336.435 4.182 50 0 EIAARN C[C@H](CNC(=O)c1ccccc1OCc1ccncc1)c1ccccc1 ZINC000032084255 212785493 /nfs/dbraw/zinc/78/54/93/212785493.db2.gz SSVAIBSRBMJUPT-QGZVFWFLSA-N 0 0 346.430 4.194 50 0 EIAARN COc1ccc(-c2noc(-c3ccc(-c4cccc(O)c4)nc3)n2)cc1 ZINC000072148253 216035228 /nfs/dbraw/zinc/03/52/28/216035228.db2.gz XWVJFDJIUHABOG-UHFFFAOYSA-N 0 0 345.358 4.180 50 0 EIAARN Oc1cccc(-c2ccc(-c3nc(CCc4ccccc4)no3)cn2)c1 ZINC000072148758 216036168 /nfs/dbraw/zinc/03/61/68/216036168.db2.gz NDFRQQCTYLYTQR-UHFFFAOYSA-N 0 0 343.386 4.289 50 0 EIAARN c1ccc(CCCc2noc(-c3ccc(-c4cccnc4)nc3)n2)cc1 ZINC000072162600 216050065 /nfs/dbraw/zinc/05/00/65/216050065.db2.gz NLFPGSONRULDSI-UHFFFAOYSA-N 0 0 342.402 4.369 50 0 EIAARN CCCCc1nc(CN2CCC(Oc3ccccc3Cl)CC2)c[nH]1 ZINC000072156655 216046137 /nfs/dbraw/zinc/04/61/37/216046137.db2.gz OQKQTMWKWKSMMG-UHFFFAOYSA-N 0 0 347.890 4.449 50 0 EIAARN Cc1ccc(NCCCNC(=O)Nc2cccc3ccccc32)nc1 ZINC000072264335 216085780 /nfs/dbraw/zinc/08/57/80/216085780.db2.gz RHKRJQQINJYDKU-UHFFFAOYSA-N 0 0 334.423 4.167 50 0 EIAARN O=C(NCCc1ccccn1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000072273315 216097204 /nfs/dbraw/zinc/09/72/04/216097204.db2.gz KRRWACUFYLGXSD-HXUWFJFHSA-N 0 0 348.450 4.042 50 0 EIAARN CC(=O)Nc1ccc(CC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000072274664 216098268 /nfs/dbraw/zinc/09/82/68/216098268.db2.gz YXXPIWLWFLNMRK-INIZCTEOSA-N 0 0 338.451 4.024 50 0 EIAARN CC(C)c1nc([C@H]2CCCN2CCCc2nc3ccccc3o2)no1 ZINC000072279400 216107025 /nfs/dbraw/zinc/10/70/25/216107025.db2.gz NLLOAVDFVRDGIT-OAHLLOKOSA-N 0 0 340.427 4.104 50 0 EIAARN Clc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 ZINC000000385276 209563643 /nfs/dbraw/zinc/56/36/43/209563643.db2.gz VUQFRKFPNCGJCT-UHFFFAOYSA-N 0 0 326.812 4.097 50 0 EIAARN O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000000375986 209559031 /nfs/dbraw/zinc/55/90/31/209559031.db2.gz RWJHKSYMLVIAJY-GFCCVEGCSA-N 0 0 328.418 4.394 50 0 EIAARN CCc1cc2c(cc1OC)occ(Oc1ccc(OC)cc1)c2=O ZINC000000310578 209529590 /nfs/dbraw/zinc/52/95/90/209529590.db2.gz BTSDOCRKKWUHSI-UHFFFAOYSA-N 0 0 326.348 4.165 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000295964 209521170 /nfs/dbraw/zinc/52/11/70/209521170.db2.gz PDJORDMDCIAWPH-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC ZINC000000282847 209517834 /nfs/dbraw/zinc/51/78/34/209517834.db2.gz NZDDITLDHMTAPM-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1cccs1 ZINC000000280551 209516555 /nfs/dbraw/zinc/51/65/55/209516555.db2.gz BPBABLDURKTXBF-UHFFFAOYSA-N 0 0 337.360 4.310 50 0 EIAARN CC[C@H](Nc1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000072291859 216126657 /nfs/dbraw/zinc/12/66/57/216126657.db2.gz MAKWDOLSHKRUIL-INIZCTEOSA-N 0 0 336.432 4.069 50 0 EIAARN CNc1nc(CNc2nc(-c3ccccc3)nc3ccccc32)cs1 ZINC000072301715 216139668 /nfs/dbraw/zinc/13/96/68/216139668.db2.gz FGCZTSVCVRBUKM-UHFFFAOYSA-N 0 0 347.447 4.407 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000000252217 209504490 /nfs/dbraw/zinc/50/44/90/209504490.db2.gz AXQADNXBFAKEPZ-MRXNPFEDSA-N 0 0 333.435 4.194 50 0 EIAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCC(C)CC2)cc1Cl ZINC000072328704 216152268 /nfs/dbraw/zinc/15/22/68/216152268.db2.gz YLYKQTUESDYXBE-UHFFFAOYSA-N 0 0 347.846 4.001 50 0 EIAARN CCCOc1ccc(CNC(=O)c2c[nH]nc2-c2cccc(C)c2)cc1 ZINC000072329111 216153782 /nfs/dbraw/zinc/15/37/82/216153782.db2.gz YCANPVLPOMONSP-UHFFFAOYSA-N 0 0 349.434 4.104 50 0 EIAARN COc1cc(Cl)ccc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000072331756 216154801 /nfs/dbraw/zinc/15/48/01/216154801.db2.gz OOQBELUVXIKQDE-UHFFFAOYSA-N 0 0 343.732 4.297 50 0 EIAARN Cc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000072331196 216155317 /nfs/dbraw/zinc/15/53/17/216155317.db2.gz GOPULRGEQCOVQW-UHFFFAOYSA-N 0 0 336.479 4.255 50 0 EIAARN Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000072311342 216147409 /nfs/dbraw/zinc/14/74/09/216147409.db2.gz NWSDVXBIRUQOKN-ZDUSSCGKSA-N 0 0 326.465 4.170 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Nc1ccc(OC)cc1 ZINC000000237921 209499392 /nfs/dbraw/zinc/49/93/92/209499392.db2.gz LJIGSHHYIZWJQO-UHFFFAOYSA-N 0 0 348.424 4.194 50 0 EIAARN CC1(C)C[C@H](C(=O)NCC[C@H](c2ccco2)c2ccccc2)CCO1 ZINC000000215884 209489374 /nfs/dbraw/zinc/48/93/74/209489374.db2.gz ARBAYEJQTAMILF-MSOLQXFVSA-N 0 0 341.451 4.123 50 0 biogenic EIAARN Cc1ccc([C@@H]2CC(=O)c3cnc(NCc4ccccc4)nc3C2)cc1 ZINC000000193867 209477031 /nfs/dbraw/zinc/47/70/31/209477031.db2.gz POMFVZAPCIARRL-SFHVURJKSA-N 0 0 343.430 4.310 50 0 EIAARN CSc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000000170624 209462091 /nfs/dbraw/zinc/46/20/91/209462091.db2.gz HNZCBHVDFCTFJO-UHFFFAOYSA-N 0 0 343.839 4.500 50 0 EIAARN O=C1NCCCN1c1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129572383 223070803 /nfs/dbraw/zinc/07/08/03/223070803.db2.gz XZNTZBIJSPDRLO-STQMWFEESA-N 0 0 341.377 4.139 50 0 EIAARN Cc1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000000156886 209457907 /nfs/dbraw/zinc/45/79/07/209457907.db2.gz AQJUIEPFJCOCTD-UHFFFAOYSA-N 0 0 326.787 4.478 50 0 EIAARN COc1ccc(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000000149114 209453212 /nfs/dbraw/zinc/45/32/12/209453212.db2.gz QQGPREOKOKNKTG-UHFFFAOYSA-N 0 0 347.370 4.167 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)CCc1cn(C(C)C)c2ccccc12 ZINC000072404843 216195710 /nfs/dbraw/zinc/19/57/10/216195710.db2.gz YKMHGRCWFVIXDH-UHFFFAOYSA-N 0 0 338.455 4.144 50 0 EIAARN O=C(/C=C/c1cccc2ccccc12)OCC(=O)Nc1ccccc1 ZINC000000148021 209452521 /nfs/dbraw/zinc/45/25/21/209452521.db2.gz YXDACUHDJOKZHV-BUHFOSPRSA-N 0 0 331.371 4.035 50 0 EIAARN Cc1nc(NC(=O)Cc2cn(C(C)C)c3ccccc23)sc1C ZINC000072403995 216196037 /nfs/dbraw/zinc/19/60/37/216196037.db2.gz VERZBJVEZRPALV-UHFFFAOYSA-N 0 0 327.453 4.477 50 0 EIAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c(C)c1C ZINC000000139567 209444646 /nfs/dbraw/zinc/44/46/46/209444646.db2.gz PLCAZDDBOKYRML-UHFFFAOYSA-N 0 0 339.407 4.308 50 0 EIAARN Cc1nc(C(=O)Nc2nc(-c3ccncc3)cs2)c(C(C)C)s1 ZINC000072402510 216194962 /nfs/dbraw/zinc/19/49/62/216194962.db2.gz HSHIZZOXTFXFHA-UHFFFAOYSA-N 0 0 344.465 4.346 50 0 EIAARN Cc1nc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c(C(C)C)s1 ZINC000072402420 216195014 /nfs/dbraw/zinc/19/50/14/216195014.db2.gz IXYDLYBKKRGWII-UHFFFAOYSA-N 0 0 345.443 4.168 50 0 EIAARN CCOC(=O)c1ccccc1NCn1c2ccccc2oc1=S ZINC000000077847 209404869 /nfs/dbraw/zinc/40/48/69/209404869.db2.gz DDIDVKQDLRXGPN-UHFFFAOYSA-N 0 0 328.393 4.210 50 0 EIAARN CCO[C@@]1(C)C(=O)c2ccccc2N1Nc1ccccc1C(=O)CC ZINC000000078688 209404129 /nfs/dbraw/zinc/40/41/29/209404129.db2.gz OFXGCVBGXKIUNO-FQEVSTJZSA-N 0 0 338.407 4.062 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000000074860 209403722 /nfs/dbraw/zinc/40/37/22/209403722.db2.gz PEIZOOOJGCXZLV-UHFFFAOYSA-N 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/nfs/dbraw/zinc/51/65/52/212516552.db2.gz CQACLAGNADHSGN-OAHLLOKOSA-N 0 0 339.464 4.379 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026295729 212514031 /nfs/dbraw/zinc/51/40/31/212514031.db2.gz WQTKINSRLOIMFR-MJBXVCDLSA-N 0 0 328.378 4.476 50 0 EIAARN Cc1cc(C)c(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c(C)c1 ZINC000026226740 212510755 /nfs/dbraw/zinc/51/07/55/212510755.db2.gz YVZDDPPGHPCQQP-LJQANCHMSA-N 0 0 339.435 4.422 50 0 EIAARN CC(=O)Nc1cccc([C@H](C)OC(=O)c2nccc3ccccc32)c1 ZINC000073091324 216347685 /nfs/dbraw/zinc/34/76/85/216347685.db2.gz RWKOUFJHGRDCPT-ZDUSSCGKSA-N 0 0 334.375 4.111 50 0 EIAARN Cc1n[nH]c(C)c1NC(=O)Nc1cccc(C2SCCS2)c1 ZINC000108653669 219909251 /nfs/dbraw/zinc/90/92/51/219909251.db2.gz JVRCUUKLTOTNGQ-UHFFFAOYSA-N 0 0 334.470 4.149 50 0 EIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)NCc1ccccc1 ZINC000025231343 212466788 /nfs/dbraw/zinc/46/67/88/212466788.db2.gz NXFOPLJQPPJJBX-UHFFFAOYSA-N 0 0 334.423 4.119 50 0 EIAARN Cc1cc2cc(NC(=O)c3ccc(NC(=O)NC4CC4)cc3)ccc2[nH]1 ZINC000025129219 212461334 /nfs/dbraw/zinc/46/13/34/212461334.db2.gz RQRWZXOEFUCGJY-UHFFFAOYSA-N 0 0 348.406 4.013 50 0 EIAARN Cc1cc(CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)no1 ZINC000025137718 212460722 /nfs/dbraw/zinc/46/07/22/212460722.db2.gz XQOQSNNINQYMMK-UHFFFAOYSA-N 0 0 338.432 4.082 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000025091003 212458884 /nfs/dbraw/zinc/45/88/84/212458884.db2.gz LGJMAXCFYSKPIX-GFCCVEGCSA-N 0 0 337.810 4.322 50 0 EIAARN Cc1ccc(Cc2cnc(NC(=O)c3cccnc3)s2)cc1Cl ZINC000024969762 212450151 /nfs/dbraw/zinc/45/01/51/212450151.db2.gz LECZOYMNTVHQFF-UHFFFAOYSA-N 0 0 343.839 4.343 50 0 EIAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(F)c(F)c1F ZINC000024545262 212425637 /nfs/dbraw/zinc/42/56/37/212425637.db2.gz LNQBWGPKTMMVKW-UHFFFAOYSA-N 0 0 334.219 4.078 50 0 EIAARN O=C(c1cc(C2CC2)on1)N(Cc1ccco1)Cc1cccs1 ZINC000024462420 212421313 /nfs/dbraw/zinc/42/13/13/212421313.db2.gz ZIXQDKGAPRABBT-UHFFFAOYSA-N 0 0 328.393 4.049 50 0 EIAARN Cc1csc(Sc2ccc(NC(=O)Cc3cc(C)on3)cc2)n1 ZINC000074224532 216467048 /nfs/dbraw/zinc/46/70/48/216467048.db2.gz UPQLHYKJUANDMI-UHFFFAOYSA-N 0 0 345.449 4.080 50 0 EIAARN Cc1sc2[nH]c([C@H](C)Nc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000023865151 212397819 /nfs/dbraw/zinc/39/78/19/212397819.db2.gz DFYLNVSJIKTBJM-VIFPVBQESA-N 0 0 333.844 4.428 50 0 EIAARN C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1cccs1 ZINC000023785884 212395054 /nfs/dbraw/zinc/39/50/54/212395054.db2.gz TXHZUKLLMTYOHK-SNVBAGLBSA-N 0 0 337.828 4.054 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000023709930 212391598 /nfs/dbraw/zinc/39/15/98/212391598.db2.gz LAEKZVDSWBFWOP-UHFFFAOYSA-N 0 0 343.426 4.498 50 0 EIAARN Cc1c2ccccc2oc1C(=O)COC(=O)c1cc2ccccc2[nH]1 ZINC000023595000 212384156 /nfs/dbraw/zinc/38/41/56/212384156.db2.gz UQYKVZQYSFZDNQ-UHFFFAOYSA-N 0 0 333.343 4.262 50 0 EIAARN Cc1ccc(OCCSCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000023412299 212375909 /nfs/dbraw/zinc/37/59/09/212375909.db2.gz 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O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1Cl ZINC000022389086 212294011 /nfs/dbraw/zinc/29/40/11/212294011.db2.gz TVQOLMWTPIRGST-UHFFFAOYSA-N 0 0 336.222 4.241 50 0 EIAARN CCCCSc1nnc(SCC(=O)c2cc(C)[nH]c2C)s1 ZINC000022416519 212296739 /nfs/dbraw/zinc/29/67/39/212296739.db2.gz NEUZVZSCPVKSOF-UHFFFAOYSA-N 0 0 341.527 4.350 50 0 EIAARN CSc1cccc(N(C)C(=O)CCc2ncc(C(C)(C)C)o2)c1 ZINC000193574803 240217481 /nfs/dbraw/zinc/21/74/81/240217481.db2.gz HGKIZPBEGVNDNF-UHFFFAOYSA-N 0 0 332.469 4.290 50 0 EIAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1C(C)C ZINC000022318747 212289894 /nfs/dbraw/zinc/28/98/94/212289894.db2.gz JWPPUXRLXUBSOS-IBGZPJMESA-N 0 0 333.472 4.222 50 0 EIAARN C/C=C/C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CCC)C2 ZINC000022323249 212289669 /nfs/dbraw/zinc/28/96/69/212289669.db2.gz GCJFPZITYBDDGG-ZCRIDZFUSA-N 0 0 335.469 4.344 50 0 EIAARN Cc1ccc(C)c2sc(NC(=O)[C@]3(C)CC3(Cl)Cl)nc21 ZINC000022191685 212281578 /nfs/dbraw/zinc/28/15/78/212281578.db2.gz HBKFCJALKKVMBG-ZDUSSCGKSA-N 0 0 329.252 4.436 50 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50 0 EIAARN O=C(c1cccn1C1CC1)N(CCc1ccccc1)Cc1ccccn1 ZINC000216467033 241194183 /nfs/dbraw/zinc/19/41/83/241194183.db2.gz WLWCAECWBCSEJH-UHFFFAOYSA-N 0 0 345.446 4.103 50 0 EIAARN Fc1ccccc1N1CCN(Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000215412515 241124590 /nfs/dbraw/zinc/12/45/90/241124590.db2.gz QOEOVFIEGBCHIX-SFHVURJKSA-N 0 0 346.471 4.061 50 0 EIAARN CSCC1CCN(C(=O)c2cc(C)nc3c(Cl)cccc23)CC1 ZINC000215466626 241129443 /nfs/dbraw/zinc/12/94/43/241129443.db2.gz PHEIPWSUFAHFKN-UHFFFAOYSA-N 0 0 348.899 4.412 50 0 EIAARN O=C(c1cc(C2CC2)on1)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219114310 241363794 /nfs/dbraw/zinc/36/37/94/241363794.db2.gz SDHIZOVEDJRSOC-QGZVFWFLSA-N 0 0 346.427 4.012 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC2(CCOCC2)CC1 ZINC000219088235 241364222 /nfs/dbraw/zinc/36/42/22/241364222.db2.gz RRNFZZKBZVNVGO-UHFFFAOYSA-N 0 0 349.474 4.315 50 0 EIAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(F)cc2)CCS1 ZINC000219275330 241371971 /nfs/dbraw/zinc/37/19/71/241371971.db2.gz YGORXZUVXAMROC-SFHVURJKSA-N 0 0 329.440 4.455 50 0 EIAARN CCOc1ccccc1C(=O)N1CCS[C@H](c2cccs2)CC1 ZINC000219476779 241386917 /nfs/dbraw/zinc/38/69/17/241386917.db2.gz GYJLLSJSUVNXBE-KRWDZBQOSA-N 0 0 347.505 4.467 50 0 EIAARN COCC[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3F)c2)C1 ZINC000219297104 241376233 /nfs/dbraw/zinc/37/62/33/241376233.db2.gz SDFRJWKTBSTPCN-MRXNPFEDSA-N 0 0 341.426 4.381 50 0 EIAARN COc1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)ccc1F ZINC000218852513 241348626 /nfs/dbraw/zinc/34/86/26/241348626.db2.gz OOJUIZBRLBJMGQ-CQSZACIVSA-N 0 0 333.790 4.117 50 0 EIAARN Cc1ccc(/C=C/C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000021989872 212268745 /nfs/dbraw/zinc/26/87/45/212268745.db2.gz WVXGCUCKEMUTIE-CMDGGOBGSA-N 0 0 344.754 4.048 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)NCCCc2ccc(C)cc2C)s1 ZINC000021938060 212265530 /nfs/dbraw/zinc/26/55/30/212265530.db2.gz UUBMIESCRRUEHH-UHFFFAOYSA-N 0 0 343.492 4.385 50 0 EIAARN Cc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)n1 ZINC000021935065 212265397 /nfs/dbraw/zinc/26/53/97/212265397.db2.gz 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/nfs/dbraw/zinc/25/04/80/212250480.db2.gz PXLUQLCGDKGGTR-CYBMUJFWSA-N 0 0 325.799 4.017 50 0 EIAARN CSc1ccccc1NC(=O)[C@H](C)Nc1ccc2oc(C)nc2c1 ZINC000021795049 212249851 /nfs/dbraw/zinc/24/98/51/212249851.db2.gz NEXANOVJPQWMSA-NSHDSACASA-N 0 0 341.436 4.297 50 0 EIAARN COc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)ccc1C ZINC000021759376 212246934 /nfs/dbraw/zinc/24/69/34/212246934.db2.gz UTNIFTQWSRNSDS-UHFFFAOYSA-N 0 0 331.441 4.155 50 0 EIAARN Cc1nc([C@H](C)NC(=O)CSCc2ccccc2C)c(C)s1 ZINC000223044573 241593802 /nfs/dbraw/zinc/59/38/02/241593802.db2.gz MFBNSFGDPHLSOW-LBPRGKRZSA-N 0 0 334.510 4.179 50 0 EIAARN CC(=O)SCCCCCCNc1cc(Cl)nc(C2CC2)n1 ZINC000225533484 241915527 /nfs/dbraw/zinc/91/55/27/241915527.db2.gz HFZXMEJQXNPVLJ-UHFFFAOYSA-N 0 0 327.881 4.259 50 0 EIAARN Cc1cc([C@H]2CCCN2Cc2c[nH]nc2-c2ccc(C)c(C)c2)no1 ZINC000021720017 212245099 /nfs/dbraw/zinc/24/50/99/212245099.db2.gz HBMURTJDJVLJEU-LJQANCHMSA-N 0 0 336.439 4.327 50 0 EIAARN CCCc1cc([C@@H]2CCCN2C(=O)Cc2ccccc2Cl)no1 ZINC000021719339 212244804 /nfs/dbraw/zinc/24/48/04/212244804.db2.gz SIAHFODRGLYWNG-KRWDZBQOSA-N 0 0 332.831 4.187 50 0 EIAARN O=C(NCc1ccnc(-c2ccco2)c1)c1cc2ccccc2s1 ZINC000225656857 241974958 /nfs/dbraw/zinc/97/49/58/241974958.db2.gz SDNPTULTYJLWJG-UHFFFAOYSA-N 0 0 334.400 4.486 50 0 EIAARN C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccccc1C(F)(F)F ZINC000225598730 241945776 /nfs/dbraw/zinc/94/57/76/241945776.db2.gz KVCYKIYVKFHDSD-GFCCVEGCSA-N 0 0 349.352 4.001 50 0 EIAARN CC(C)(C)c1ccc(C(=O)NCC[C@H](O)c2cccc(Cl)c2)cc1 ZINC000225608699 241951026 /nfs/dbraw/zinc/95/10/26/241951026.db2.gz AECMTTHANKYVGY-SFHVURJKSA-N 0 0 345.870 4.491 50 0 EIAARN O=C(Cc1ccccc1Cl)NCc1ccnc(-c2ccsc2)c1 ZINC000225754867 242020900 /nfs/dbraw/zinc/02/09/00/242020900.db2.gz NFWDBCHVFXDWOV-UHFFFAOYSA-N 0 0 342.851 4.322 50 0 EIAARN O=C(/C=C/c1ccccc1Cl)NCc1ccc(-c2cccnc2)nc1 ZINC000225765453 242025411 /nfs/dbraw/zinc/02/54/11/242025411.db2.gz ACVZQHUWPWOZOE-CSKARUKUSA-N 0 0 349.821 4.127 50 0 EIAARN O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000226393285 242102154 /nfs/dbraw/zinc/10/21/54/242102154.db2.gz ZHROHXUSNRXPSJ-OLMNPRSZSA-N 0 0 339.822 4.413 50 0 EIAARN COc1ccccc1NCCC(=O)c1ccc(Br)cc1 ZINC000226762460 242114937 /nfs/dbraw/zinc/11/49/37/242114937.db2.gz LZOWWKBSNFQHJE-UHFFFAOYSA-N 0 0 334.213 4.143 50 0 EIAARN O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc2c1CCCC2 ZINC000021675407 212238834 /nfs/dbraw/zinc/23/88/34/212238834.db2.gz ORGKEMXJQNMKFZ-UHFFFAOYSA-N 0 0 345.446 4.322 50 0 EIAARN COc1cc(CN2CCC[C@H]2c2cc(C(C)C)on2)cc(OC)c1 ZINC000021720458 212243543 /nfs/dbraw/zinc/24/35/43/212243543.db2.gz QWRFWEQHQHIMIV-SFHVURJKSA-N 0 0 330.428 4.152 50 0 EIAARN O=C(Nc1nccs1)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000021707571 212241687 /nfs/dbraw/zinc/24/16/87/212241687.db2.gz ZYPKLHKFFINJMJ-UHFFFAOYSA-N 0 0 348.387 4.112 50 0 EIAARN CC1CCN(C(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)CC1 ZINC000021707636 212241787 /nfs/dbraw/zinc/24/17/87/212241787.db2.gz BDBSZSSWZBNDDR-UHFFFAOYSA-N 0 0 347.418 4.276 50 0 EIAARN COc1ccccc1-c1noc2ncnc(Nc3ccc(F)cc3)c12 ZINC000021715042 212241629 /nfs/dbraw/zinc/24/16/29/212241629.db2.gz SBEIKVRISVAXQZ-UHFFFAOYSA-N 0 0 336.326 4.176 50 0 EIAARN Fc1ccc(Nc2ncnc3onc(-c4cc(F)cc(F)c4)c32)cc1 ZINC000021714818 212241667 /nfs/dbraw/zinc/24/16/67/212241667.db2.gz UMRCANAOYAGQMS-UHFFFAOYSA-N 0 0 342.280 4.446 50 0 EIAARN CCOc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1 ZINC000021631505 212234582 /nfs/dbraw/zinc/23/45/82/212234582.db2.gz BHBVUCWSPMCQHT-UHFFFAOYSA-N 0 0 344.418 4.407 50 0 EIAARN COC(=O)c1sccc1NC(=O)CCSc1ccc(C)c(C)c1 ZINC000021589277 212233176 /nfs/dbraw/zinc/23/31/76/212233176.db2.gz OIYYQPCVGBLLIR-UHFFFAOYSA-N 0 0 349.477 4.272 50 0 EIAARN C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000021540796 212231722 /nfs/dbraw/zinc/23/17/22/212231722.db2.gz SREPGZYHVOGORT-GFCCVEGCSA-N 0 0 325.799 4.221 50 0 EIAARN CCOC(=O)c1cnc(Nc2cc(F)ccc2F)c2ccccc12 ZINC000021650209 212236980 /nfs/dbraw/zinc/23/69/80/212236980.db2.gz NZCJRKKCKGRHJW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/19/63/03/212196303.db2.gz IXZGKDXIMVUHKJ-GOSISDBHSA-N 0 0 326.346 4.385 50 0 EIAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(C)c(C)c3)n[nH]c1-2 ZINC000021018369 212200320 /nfs/dbraw/zinc/20/03/20/212200320.db2.gz TXZIFLWUEHWKSO-UHFFFAOYSA-N 0 0 347.418 4.053 50 0 EIAARN Fc1cc(Br)ccc1CSc1nc2cccnc2[nH]1 ZINC000020927626 212188290 /nfs/dbraw/zinc/18/82/90/212188290.db2.gz LNITXMZLDICHDA-UHFFFAOYSA-N 0 0 338.205 4.152 50 0 EIAARN COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@H]2c1cccc(N)c1 ZINC000242437260 243021760 /nfs/dbraw/zinc/02/17/60/243021760.db2.gz BVMLGIDRODFNIZ-ZOCZFRKYSA-N 0 0 339.435 4.432 50 0 EIAARN Cc1cccc2nc(CNC(=O)[C@@H](c3ccccc3)C3CCCC3)cn21 ZINC000244716062 243066695 /nfs/dbraw/zinc/06/66/95/243066695.db2.gz LHRXRFSRLXDBGO-NRFANRHFSA-N 0 0 347.462 4.233 50 0 EIAARN Cc1cccc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)n1 ZINC000020717036 212163985 /nfs/dbraw/zinc/16/39/85/212163985.db2.gz OATOSLLWHCAVTM-UHFFFAOYSA-N 0 0 337.326 4.271 50 0 EIAARN CC(C)n1c2nc(-c3ccco3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603455 212152955 /nfs/dbraw/zinc/15/29/55/212152955.db2.gz OJKYMTCYNHOUTI-UHFFFAOYSA-N 0 0 337.351 4.233 50 0 EIAARN CCn1c2nc(-c3ccc(C)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605448 212152980 /nfs/dbraw/zinc/15/29/80/212152980.db2.gz JRKVLRPQMPIWGH-UHFFFAOYSA-N 0 0 347.390 4.387 50 0 EIAARN Cn1ncc2c1nc(-c1ccc(Br)cc1)cc2C(F)F ZINC000020603033 212153020 /nfs/dbraw/zinc/15/30/20/212153020.db2.gz DAXQVWPJGPTSEZ-UHFFFAOYSA-N 0 0 338.155 4.335 50 0 EIAARN Cn1cc(-c2cc(C(F)(F)F)c3c(n2)onc3-c2ccccc2)cn1 ZINC000020605286 212152447 /nfs/dbraw/zinc/15/24/47/212152447.db2.gz HGGICXZHHIREKC-UHFFFAOYSA-N 0 0 344.296 4.309 50 0 EIAARN O=C(NCc1ccccc1Cl)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575488 212149252 /nfs/dbraw/zinc/14/92/52/212149252.db2.gz SOCYKCVRKPPTHM-UHFFFAOYSA-N 0 0 335.794 4.300 50 0 EIAARN CC(C)c1ccc(-c2c(=O)c(=O)c2NCc2ccccc2Cl)cc1 ZINC000020510227 212141244 /nfs/dbraw/zinc/14/12/44/212141244.db2.gz OVVZTQUBBTXLKT-UHFFFAOYSA-N 0 0 339.822 4.339 50 0 EIAARN O=C(Nc1cnn(Cc2ccccc2Cl)c1)NC1CCCCC1 ZINC000020495189 212140658 /nfs/dbraw/zinc/14/06/58/212140658.db2.gz RARGCORKOLVWJN-UHFFFAOYSA-N 0 0 332.835 4.039 50 0 EIAARN COc1ccc(OC)c(C(=O)N2CCC[C@H](c3ccccc3C)C2)c1 ZINC000252481502 243768758 /nfs/dbraw/zinc/76/87/58/243768758.db2.gz CNEIDPPMHMLPSV-INIZCTEOSA-N 0 0 339.435 4.032 50 0 EIAARN COc1cccc([C@@H]2CCCN2C(=O)Cn2ccc3ccccc32)c1 ZINC000252481504 243768954 /nfs/dbraw/zinc/76/89/54/243768954.db2.gz CNEYRWFECUDEHF-FQEVSTJZSA-N 0 0 334.419 4.014 50 0 EIAARN Cc1cc([C@@H](C)NCc2ccnc(Oc3ccccc3F)c2)no1 ZINC000252482956 243774046 /nfs/dbraw/zinc/77/40/46/243774046.db2.gz DRDAOKGHOKMCPN-CYBMUJFWSA-N 0 0 327.359 4.160 50 0 EIAARN CSc1cccc(F)c1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000253398611 243903596 /nfs/dbraw/zinc/90/35/96/243903596.db2.gz CWYSOZXTQBEHPF-UHFFFAOYSA-N 0 0 337.460 4.111 50 0 EIAARN CC[C@H](C(=O)NC[C@H](OC)c1cc2ccccc2o1)c1ccccc1 ZINC000253471951 243993602 /nfs/dbraw/zinc/99/36/02/243993602.db2.gz GSMVVIURQNOOSA-PXNSSMCTSA-N 0 0 337.419 4.430 50 0 EIAARN Cc1ccc(NC(=O)c2noc3c2COc2ccccc2-3)c(Cl)c1 ZINC000020484678 212137404 /nfs/dbraw/zinc/13/74/04/212137404.db2.gz HJFCSSXUVXBLIA-UHFFFAOYSA-N 0 0 340.766 4.448 50 0 EIAARN C[C@]12CCC[C@@H]1[C@H]1CC[C@@H]3CC4(CC[C@]3(C)[C@@H]1C(=O)C2)OCCO4 ZINC000253592461 244027553 /nfs/dbraw/zinc/02/75/53/244027553.db2.gz ZQDFDIIVEXMNKF-NUBKVZTMSA-N 0 0 332.484 4.341 50 0 EIAARN CCOc1ccccc1/C=C1\C(=O)Nc2ccc(Br)cc21 ZINC000020114006 212103568 /nfs/dbraw/zinc/10/35/68/212103568.db2.gz YVGIJSYEWWTLRU-ZROIWOOFSA-N 0 0 344.208 4.341 50 0 EIAARN S=c1[nH]c(=S)c2c(nnc(-c3ccccc3)c2-c2ccccc2)[nH]1 ZINC000019897581 212080817 /nfs/dbraw/zinc/08/08/17/212080817.db2.gz UOIZRPRHSNGBQR-UHFFFAOYSA-N 0 0 348.456 4.331 50 0 EIAARN O=C(Nc1cccc(F)c1)c1cccnc1NCCc1ccccc1 ZINC000019848992 212076127 /nfs/dbraw/zinc/07/61/27/212076127.db2.gz WSHLMGVVWKROTQ-UHFFFAOYSA-N 0 0 335.382 4.128 50 0 EIAARN Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]c1C ZINC000019824202 212073031 /nfs/dbraw/zinc/07/30/31/212073031.db2.gz MDPXZEHHOMIXKA-UHFFFAOYSA-N 0 0 330.240 4.064 50 0 EIAARN Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccn2)s1 ZINC000019819597 212072371 /nfs/dbraw/zinc/07/23/71/212072371.db2.gz CQLHOSVBDVSPII-UHFFFAOYSA-N 0 0 329.450 4.146 50 0 EIAARN CN1CCN([C@H](c2cccc(Cl)c2)c2ccccc2Cl)CC1 ZINC000019801756 212070345 /nfs/dbraw/zinc/07/03/45/212070345.db2.gz UYUKSGQLYHPHCQ-GOSISDBHSA-N 0 0 335.278 4.330 50 0 EIAARN CCc1nccn1CCn1ccc(-c2cccc(-c3nccs3)c2)n1 ZINC000019794714 212068918 /nfs/dbraw/zinc/06/89/18/212068918.db2.gz BGYVKKHPAQMHIV-UHFFFAOYSA-N 0 0 349.463 4.133 50 0 EIAARN CSc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019781722 212065193 /nfs/dbraw/zinc/06/51/93/212065193.db2.gz SUIMUMSHEQVQDC-UHFFFAOYSA-N 0 0 346.927 4.380 50 0 EIAARN CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000077524150 216929087 /nfs/dbraw/zinc/92/90/87/216929087.db2.gz KCWONDWZICQTPW-LJQANCHMSA-N 0 0 325.383 4.396 50 0 EIAARN Cc1ccc(-c2noc([C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)n2)cc1Cl ZINC000019744987 212059865 /nfs/dbraw/zinc/05/98/65/212059865.db2.gz GICRIGHSGOFAAT-ZWKOTPCHSA-N 0 0 346.814 4.277 50 0 EIAARN CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736527 212059617 /nfs/dbraw/zinc/05/96/17/212059617.db2.gz UFBPKFOWDPKQNQ-GFCCVEGCSA-N 0 0 332.831 4.452 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(N)ccc1F ZINC000019736572 212059346 /nfs/dbraw/zinc/05/93/46/212059346.db2.gz HSFUFMSTWKXSFC-MRVPVSSYSA-N 0 0 343.185 4.121 50 0 EIAARN CCC(C)(C)c1ccc(OCC(=O)Nc2cc(N)ccc2C)cc1 ZINC000019736710 212059203 /nfs/dbraw/zinc/05/92/03/212059203.db2.gz CNJFMQXZESMEET-UHFFFAOYSA-N 0 0 326.440 4.282 50 0 EIAARN Cc1c(N)cccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000019736272 212058812 /nfs/dbraw/zinc/05/88/12/212058812.db2.gz CKDIHMOZPHBACK-JTQLQIEISA-N 0 0 339.222 4.290 50 0 EIAARN CCn1ccnc1Cn1ccc(-c2cccc(-c3ccncc3F)c2)n1 ZINC000019537739 212040529 /nfs/dbraw/zinc/04/05/29/212040529.db2.gz MIIRZMOBNIGDCR-UHFFFAOYSA-N 0 0 347.397 4.016 50 0 EIAARN Cc1cc(NC(=O)c2cc(F)ccc2F)ccc1Br ZINC000019478388 212031055 /nfs/dbraw/zinc/03/10/55/212031055.db2.gz LFUDZDQXISSGCQ-UHFFFAOYSA-N 0 0 326.140 4.288 50 0 EIAARN CC(C)[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000045673251 213747816 /nfs/dbraw/zinc/74/78/16/213747816.db2.gz BZHQSIZTKLVDBV-FQEVSTJZSA-N 0 0 349.434 4.039 50 0 EIAARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1 ZINC000048287887 213912102 /nfs/dbraw/zinc/91/21/02/213912102.db2.gz AJNWVANEWDYGDZ-XHDPSFHLSA-N 0 0 326.371 4.296 50 0 EIAARN C[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2ccccc2c1 ZINC000049580995 214020281 /nfs/dbraw/zinc/02/02/81/214020281.db2.gz DVPNGKGMDSPZLN-HUUCEWRRSA-N 0 0 343.430 4.488 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1N1CCCC1=O ZINC000049505342 214013011 /nfs/dbraw/zinc/01/30/11/214013011.db2.gz IXDSHWSVUNELGC-UHFFFAOYSA-N 0 0 334.828 4.089 50 0 EIAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C(C)C)C1CCC1 ZINC000078184540 217029147 /nfs/dbraw/zinc/02/91/47/217029147.db2.gz WRVQKYZZKDDUEM-UHFFFAOYSA-N 0 0 346.452 4.305 50 0 EIAARN Clc1ccc([C@@H](Nc2ccccn2)n2nnc3ccccc32)cc1 ZINC000019143715 212001972 /nfs/dbraw/zinc/00/19/72/212001972.db2.gz VAXJQBCXJCDLAO-SFHVURJKSA-N 0 0 335.798 4.139 50 0 EIAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1N1CCCC1 ZINC000018839807 211996232 /nfs/dbraw/zinc/99/62/32/211996232.db2.gz QCJSNAXAFFHFGI-UHFFFAOYSA-N 0 0 342.464 4.270 50 0 EIAARN CCOc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc(OCC)c1OCC ZINC000018158044 211985614 /nfs/dbraw/zinc/98/56/14/211985614.db2.gz UWVJZUBZQLAEFM-GASCZTMLSA-N 0 0 349.471 4.286 50 0 EIAARN CCCCCOc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1 ZINC000018107045 211982175 /nfs/dbraw/zinc/98/21/75/211982175.db2.gz SCYGGCDCGJZWAB-KDURUIRLSA-N 0 0 341.451 4.491 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)N[C@H](C)c1csc2ccccc21 ZINC000078602542 217084304 /nfs/dbraw/zinc/08/43/04/217084304.db2.gz MEFFVKQQZQFGKK-LLVKDONJSA-N 0 0 343.452 4.409 50 0 EIAARN CCOc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1OCC ZINC000017297626 211962858 /nfs/dbraw/zinc/96/28/58/211962858.db2.gz VGLHPMOISDUROA-UHFFFAOYSA-N 0 0 347.842 4.110 50 0 EIAARN COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 ZINC000017120454 211956054 /nfs/dbraw/zinc/95/60/54/211956054.db2.gz CTFXMXBFPFFYKL-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN Cc1ncsc1[C@@H]1Nc2ccc(Cl)cc2C(=O)N1CC1CC1 ZINC000078763849 217116492 /nfs/dbraw/zinc/11/64/92/217116492.db2.gz SUGGJIAZXZROHT-OAHLLOKOSA-N 0 0 333.844 4.081 50 0 EIAARN CCn1c2ccccc2nc1SCc1ncc(C)c(OC)c1C ZINC000078707806 217105250 /nfs/dbraw/zinc/10/52/50/217105250.db2.gz OYPZAEFSIXOPCD-UHFFFAOYSA-N 0 0 327.453 4.369 50 0 EIAARN CCCCCCNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000078875663 217136663 /nfs/dbraw/zinc/13/66/63/217136663.db2.gz NOMHGJWTEQNSSZ-UHFFFAOYSA-N 0 0 335.835 4.019 50 0 EIAARN Cc1c(C(=O)OCc2cc(C)ccc2C)nnn1-c1cc(C)cc(C)c1 ZINC000016841241 211937499 /nfs/dbraw/zinc/93/74/99/211937499.db2.gz DEKMBFACYLVWSN-UHFFFAOYSA-N 0 0 349.434 4.166 50 0 EIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC(C)(C)C1 ZINC000078934873 217151919 /nfs/dbraw/zinc/15/19/19/217151919.db2.gz UHLWALJUYOHQQH-UHFFFAOYSA-N 0 0 345.874 4.074 50 0 EIAARN Cc1cccc(NC(=O)c2nnn(-c3ccccc3)c2C2CC2)c1C ZINC000016651434 211926720 /nfs/dbraw/zinc/92/67/20/211926720.db2.gz RCNUGPIVZOIYMN-UHFFFAOYSA-N 0 0 332.407 4.014 50 0 EIAARN CCN(C(=O)N[C@@H](C)c1c(F)cccc1OC)[C@@H](C)c1cccnc1 ZINC000078946987 217155552 /nfs/dbraw/zinc/15/55/52/217155552.db2.gz NZJRMVOQOGOZRN-KBPBESRZSA-N 0 0 345.418 4.083 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2)c1C(C)C ZINC000016626132 211921405 /nfs/dbraw/zinc/92/14/05/211921405.db2.gz PCPXJBFUTMKPCK-UHFFFAOYSA-N 0 0 334.423 4.260 50 0 EIAARN Cc1noc(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)n1 ZINC000079018161 217175350 /nfs/dbraw/zinc/17/53/50/217175350.db2.gz HMVLZIINEJXVLR-QGZVFWFLSA-N 0 0 331.778 4.050 50 0 EIAARN Cc1cccc(C)c1NC(=O)CCCc1nc(-c2ccccc2)no1 ZINC000016362220 211898637 /nfs/dbraw/zinc/89/86/37/211898637.db2.gz RZQKNOFINZEQKD-UHFFFAOYSA-N 0 0 335.407 4.315 50 0 EIAARN CCOC1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000079092203 217190764 /nfs/dbraw/zinc/19/07/64/217190764.db2.gz BGISXKRFSJJFBD-UHFFFAOYSA-N 0 0 335.245 4.003 50 0 EIAARN Cc1cc(C)n2nc(S[C@H](C)CCSc3ccccc3)nc2n1 ZINC000079109722 217195987 /nfs/dbraw/zinc/19/59/87/217195987.db2.gz XCALGOWIUNNCET-CQSZACIVSA-N 0 0 344.509 4.404 50 0 EIAARN CC(=O)N(c1nc(CN2CCC[C@@H]2c2ccsc2)cs1)C1CC1 ZINC000079354043 217213196 /nfs/dbraw/zinc/21/31/96/217213196.db2.gz UCASSXGTDWTMBP-MRXNPFEDSA-N 0 0 347.509 4.057 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)cc1C ZINC000079361069 217214742 /nfs/dbraw/zinc/21/47/42/217214742.db2.gz DLZNRGRLIZWGQR-QFIPXVFZSA-N 0 0 335.856 4.088 50 0 EIAARN C[S@](=O)Cc1cc(NC(=O)c2ccccc2Cl)ccc1Cl ZINC000079361108 217215077 /nfs/dbraw/zinc/21/50/77/217215077.db2.gz KTNOJJSGUBXGSG-OAQYLSRUSA-N 0 0 342.247 4.124 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000079320669 217208052 /nfs/dbraw/zinc/20/80/52/217208052.db2.gz HUKIDKDCCLNDOL-PXAZEXFGSA-N 0 0 345.874 4.158 50 0 EIAARN C[S@@](=O)Cc1cc(NC(=O)CCC2CCCC2)ccc1Cl ZINC000079361162 217216248 /nfs/dbraw/zinc/21/62/48/217216248.db2.gz NMJMQVXMOWGIHJ-NRFANRHFSA-N 0 0 327.877 4.127 50 0 EIAARN O=C(Nc1nc2c(s1)CCC2)c1cc(-n2cccc2)ccc1Cl ZINC000079494295 217234140 /nfs/dbraw/zinc/23/41/40/217234140.db2.gz FVEWOEXDEQXBTD-UHFFFAOYSA-N 0 0 343.839 4.328 50 0 EIAARN Cc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000015786951 211853958 /nfs/dbraw/zinc/85/39/58/211853958.db2.gz RHBYUOQBHPXBOU-UHFFFAOYSA-N 0 0 333.435 4.001 50 0 EIAARN Cc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1cc(C)ccc1C ZINC000015731587 211848223 /nfs/dbraw/zinc/84/82/23/211848223.db2.gz JHMRDEQULOICOH-UHFFFAOYSA-N 0 0 349.369 4.049 50 0 EIAARN CCN(CC)C(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 ZINC000015677682 211843168 /nfs/dbraw/zinc/84/31/68/211843168.db2.gz FKKUJMSGUHSKEF-UHFFFAOYSA-N 0 0 325.456 4.067 50 0 EIAARN COc1ccccc1CCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000015536798 211829150 /nfs/dbraw/zinc/82/91/50/211829150.db2.gz MPMXCJKDQPVEHS-UHFFFAOYSA-N 0 0 342.197 4.114 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(Br)s1 ZINC000015002784 211787319 /nfs/dbraw/zinc/78/73/19/211787319.db2.gz SSXLSFFYPRAASJ-UHFFFAOYSA-N 0 0 336.132 4.180 50 0 EIAARN O=C(NCc1ccc(OC(F)F)cc1)Nc1cccc(Cl)c1 ZINC000014244201 211720675 /nfs/dbraw/zinc/72/06/75/211720675.db2.gz ZDEIMOLXCZOLQP-UHFFFAOYSA-N 0 0 326.730 4.263 50 0 EIAARN Cc1cc(C(=O)COc2cccc(Cl)c2)c(C)n1-c1nccs1 ZINC000014216024 211714195 /nfs/dbraw/zinc/71/41/95/211714195.db2.gz QBNDBRMRJOBDGH-UHFFFAOYSA-N 0 0 346.839 4.466 50 0 EIAARN CC(C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000014085460 211678095 /nfs/dbraw/zinc/67/80/95/211678095.db2.gz CTYBPUDFBUNPLG-UHFFFAOYSA-N 0 0 326.421 4.107 50 0 EIAARN O=C(c1sc(NC2CC2)nc1-c1ccc(F)cc1)C(F)(F)F ZINC000013961087 211662593 /nfs/dbraw/zinc/66/25/93/211662593.db2.gz LMIQFSDZTGTOHN-UHFFFAOYSA-N 0 0 330.306 4.269 50 0 EIAARN CCCc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000013746197 211630521 /nfs/dbraw/zinc/63/05/21/211630521.db2.gz MKDFHSLEXJQGSK-AWEZNQCLSA-N 0 0 340.423 4.308 50 0 EIAARN Cc1nc(-c2cccs2)sc1CNC(=O)Cc1ccccc1C ZINC000085470951 217671333 /nfs/dbraw/zinc/67/13/33/217671333.db2.gz WWVOLMSAGILDKE-UHFFFAOYSA-N 0 0 342.489 4.347 50 0 EIAARN CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1C ZINC000013618602 211593012 /nfs/dbraw/zinc/59/30/12/211593012.db2.gz FBVLQHHQIDUTOS-UHFFFAOYSA-N 0 0 334.419 4.088 50 0 EIAARN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3Cl)n2)cc1 ZINC000013495229 211568191 /nfs/dbraw/zinc/56/81/91/211568191.db2.gz MWJOLJFYDKYHMP-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN CC(C)OCc1cccc(NC2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000089143664 217773592 /nfs/dbraw/zinc/77/35/92/217773592.db2.gz WPCPFAONZDADIU-UHFFFAOYSA-N 0 0 346.515 4.451 50 0 EIAARN C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000013320545 211544867 /nfs/dbraw/zinc/54/48/67/211544867.db2.gz RFTZTFATXLMKOF-PRHODGIISA-N 0 0 336.741 4.048 50 0 EIAARN Cc1ccc(Cn2c3ccccc3nc2[C@H](O)c2ccccc2)cc1 ZINC000013030680 211515435 /nfs/dbraw/zinc/51/54/35/211515435.db2.gz JEPAZAIGYPIKOT-OAQYLSRUSA-N 0 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CC(=O)N[C@H](C)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012401888 211368946 /nfs/dbraw/zinc/36/89/46/211368946.db2.gz MHSFIOXYGXYLQP-KCXBLQSVSA-N 0 0 340.467 4.039 50 0 EIAARN CCN(C(=O)c1cc(=O)[nH]c2ccccc21)c1cccc2ccccc21 ZINC000089969504 217898974 /nfs/dbraw/zinc/89/89/74/217898974.db2.gz CNAUWORXSQEMSG-UHFFFAOYSA-N 0 0 342.398 4.348 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1cc2ccccc2c(=O)s1 ZINC000012274441 211331543 /nfs/dbraw/zinc/33/15/43/211331543.db2.gz XKJKGXNYYCKYPQ-UHFFFAOYSA-N 0 0 329.808 4.476 50 0 EIAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(N(C)C)c1 ZINC000012260036 211331202 /nfs/dbraw/zinc/33/12/02/211331202.db2.gz XCZXCUYSQDYJQC-UHFFFAOYSA-N 0 0 336.391 4.073 50 0 EIAARN O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)c(F)c1 ZINC000012235657 211326876 /nfs/dbraw/zinc/32/68/76/211326876.db2.gz ZJJSVTQCHILXLC-UHFFFAOYSA-N 0 0 348.736 4.203 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc2c3c([nH]c21)CCCC3 ZINC000012229179 211325372 /nfs/dbraw/zinc/32/53/72/211325372.db2.gz MKBIPTAEHZXEIF-UHFFFAOYSA-N 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Cn1c2ccccc2s/c1=N/C(=O)c1cc(Cl)ccc1Cl ZINC000011617437 211226865 /nfs/dbraw/zinc/22/68/65/211226865.db2.gz IUDAPSWCKGNLAJ-OBGWFSINSA-N 0 0 337.231 4.288 50 0 EIAARN COc1cccc(NC(=O)CNc2ccccc2-c2ccccc2)c1 ZINC000011618623 211226319 /nfs/dbraw/zinc/22/63/19/211226319.db2.gz YFHNVOVBQOUTDN-UHFFFAOYSA-N 0 0 332.403 4.413 50 0 EIAARN O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccccc1 ZINC000011612159 211225497 /nfs/dbraw/zinc/22/54/97/211225497.db2.gz KDZJYRWSHUHJAB-UHFFFAOYSA-N 0 0 340.386 4.187 50 0 EIAARN CC(=O)N[C@H](CC(=O)Oc1ccc(Cl)cc1C)c1ccc(C)cc1 ZINC000011464033 211218028 /nfs/dbraw/zinc/21/80/28/211218028.db2.gz POXFSBXWEYQYSW-QGZVFWFLSA-N 0 0 345.826 4.130 50 0 EIAARN CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000011421482 211217405 /nfs/dbraw/zinc/21/74/05/211217405.db2.gz DSCAJWZXTAOLHX-CQSZACIVSA-N 0 0 339.464 4.484 50 0 EIAARN O=C(CNc1ccc(F)cc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000011116042 211204340 /nfs/dbraw/zinc/20/43/40/211204340.db2.gz TZPYCJLWEHKOLW-LJQANCHMSA-N 0 0 340.423 4.205 50 0 EIAARN CCc1ccc(C2=NNC(=Nc3ccccc3OC)SC2)s1 ZINC000011118603 211203308 /nfs/dbraw/zinc/20/33/08/211203308.db2.gz DZXOPHORGPDMHE-UHFFFAOYSA-N 0 0 331.466 4.238 50 0 EIAARN O=C(CCc1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011071579 211201922 /nfs/dbraw/zinc/20/19/22/211201922.db2.gz HIYQWSIUWCMLEO-UHFFFAOYSA-N 0 0 330.431 4.416 50 0 EIAARN O=C(COc1ccc(F)cc1Cl)Nc1ccc(Cl)cc1F ZINC000011028282 211200642 /nfs/dbraw/zinc/20/06/42/211200642.db2.gz LHZPIEYEDVCBRB-UHFFFAOYSA-N 0 0 332.133 4.289 50 0 EIAARN CC(C)c1cccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000010937252 211195838 /nfs/dbraw/zinc/19/58/38/211195838.db2.gz WAOMFWOYDHFTOB-INIZCTEOSA-N 0 0 326.371 4.014 50 0 EIAARN COc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1OC(F)F ZINC000011210295 211208564 /nfs/dbraw/zinc/20/85/64/211208564.db2.gz NDQNPDBPXIGRMB-KRWDZBQOSA-N 0 0 347.361 4.178 50 0 EIAARN C[C@@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)c1ccccc1 ZINC000011190986 211206945 /nfs/dbraw/zinc/20/69/45/211206945.db2.gz WTYJWKCJHLULNG-LLVKDONJSA-N 0 0 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Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)cc1Cl ZINC000095412389 218349846 /nfs/dbraw/zinc/34/98/46/218349846.db2.gz BPOJAMCMMIKRJG-CQSZACIVSA-N 0 0 331.799 4.119 50 0 EIAARN Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC000095413278 218351009 /nfs/dbraw/zinc/35/10/09/218351009.db2.gz UJBRODXKVWCLAA-PBHICJAKSA-N 0 0 346.427 4.009 50 0 EIAARN COc1ccc(-c2nnc(CNc3ccccc3SC)o2)cc1 ZINC000095414812 218353449 /nfs/dbraw/zinc/35/34/49/218353449.db2.gz NLUJNZQUUPKMDI-UHFFFAOYSA-N 0 0 327.409 4.079 50 0 EIAARN Cc1ccc2c(c1)[C@@H](NCc1nccn1Cc1ccccc1)CCCO2 ZINC000095423419 218365962 /nfs/dbraw/zinc/36/59/62/218365962.db2.gz KACRKBWRFKVNKX-FQEVSTJZSA-N 0 0 347.462 4.243 50 0 EIAARN CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCSc2ccc(Cl)cc21 ZINC000095423699 218366042 /nfs/dbraw/zinc/36/60/42/218366042.db2.gz CLJPYLSYYQAALQ-UONOGXRCSA-N 0 0 348.903 4.156 50 0 EIAARN CCOc1ccc2ccccc2c1C(=O)NCc1ccc(OC)cc1 ZINC000008382799 210945050 /nfs/dbraw/zinc/94/50/50/210945050.db2.gz CLHRODCFQZLPSX-UHFFFAOYSA-N 0 0 335.403 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210665216 /nfs/dbraw/zinc/66/52/16/210665216.db2.gz KZMRVHQTKQSHME-UHFFFAOYSA-N 0 0 326.421 4.280 50 0 EIAARN C[C@H](NC(=O)Cc1cccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000006664327 210673673 /nfs/dbraw/zinc/67/36/73/210673673.db2.gz KKDMWZBJEPRXSS-AWEZNQCLSA-N 0 0 329.403 4.136 50 0 EIAARN Cc1ccccc1C(=O)NCCc1csc(-c2cccs2)n1 ZINC000006661257 210673414 /nfs/dbraw/zinc/67/34/14/210673414.db2.gz IDRTUUKCUINNJZ-UHFFFAOYSA-N 0 0 328.462 4.153 50 0 EIAARN Cc1ccc(-c2csc3ncnc(S[C@@H]4CCOC4=O)c23)cc1 ZINC000006589518 210659665 /nfs/dbraw/zinc/65/96/65/210659665.db2.gz KLJSDTWGYHCYFM-CYBMUJFWSA-N 0 0 342.445 4.074 50 0 EIAARN Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccco1)C2 ZINC000006577801 210657392 /nfs/dbraw/zinc/65/73/92/210657392.db2.gz POCFCSWCKQCOOT-OAHLLOKOSA-N 0 0 349.386 4.186 50 0 aggregator EIAARN CSc1ccc(CN(C)C(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000006309810 210615671 /nfs/dbraw/zinc/61/56/71/210615671.db2.gz YVEBMATVJCGDDZ-UHFFFAOYSA-N 0 0 341.263 4.383 50 0 EIAARN O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccccc1F ZINC000006226978 210604104 /nfs/dbraw/zinc/60/41/04/210604104.db2.gz KNVSQQPHNPUTPS-UHFFFAOYSA-N 0 0 337.354 4.007 50 0 EIAARN O=C(NC(=S)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006222828 210602094 /nfs/dbraw/zinc/60/20/94/210602094.db2.gz JHEINPYXZIEETF-UHFFFAOYSA-N 0 0 346.455 4.081 50 0 EIAARN COc1ccc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)n2C)cc1 ZINC000006147871 210594331 /nfs/dbraw/zinc/59/43/31/210594331.db2.gz PBOBNDKAIMURQR-LBPRGKRZSA-N 0 0 343.427 4.483 50 0 EIAARN CO[C@](C)(CNC(=O)/C=C/c1cccs1)c1cccc(Cl)c1 ZINC000096392390 218748086 /nfs/dbraw/zinc/74/80/86/218748086.db2.gz UPRAMARLKDVLCL-KBOKABMXSA-N 0 0 335.856 4.093 50 0 EIAARN COC(=O)C[C@H](C)S[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000096409802 218763500 /nfs/dbraw/zinc/76/35/00/218763500.db2.gz PUGOUUJZFISPSY-VHSXEESVSA-N 0 0 340.832 4.136 50 0 EIAARN Cc1csc(NC(=O)COc2ccc(Nc3ccccc3)cc2)n1 ZINC000005934219 210561886 /nfs/dbraw/zinc/56/18/86/210561886.db2.gz KNLGSYRKCKOTBT-UHFFFAOYSA-N 0 0 339.420 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CCCSc1ncc(Cl)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000004821071 210287526 /nfs/dbraw/zinc/28/75/26/210287526.db2.gz GPMURYDHKWYZRG-UHFFFAOYSA-N 0 0 325.796 4.024 50 0 EIAARN CCOC(=O)c1cc(CC)sc1NC(=O)/C=C/c1ccccc1 ZINC000004815389 210284807 /nfs/dbraw/zinc/28/48/07/210284807.db2.gz UOSKZNGUTMIADD-ZHACJKMWSA-N 0 0 329.421 4.139 50 0 EIAARN CCc1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cc1 ZINC000004805788 210281925 /nfs/dbraw/zinc/28/19/25/210281925.db2.gz SDDKTXFAYRLVCQ-UHFFFAOYSA-N 0 0 332.783 4.126 50 0 EIAARN CN(C(=O)c1ccccc1C(=O)OCc1ccccc1)c1ccccc1 ZINC000004789988 210278861 /nfs/dbraw/zinc/27/88/61/210278861.db2.gz BGDHZLPDPYQYJN-UHFFFAOYSA-N 0 0 345.398 4.320 50 0 EIAARN Clc1ccc(-c2nnc3sc(-c4cccnc4)nn32)c(Cl)c1 ZINC000004784599 210277669 /nfs/dbraw/zinc/27/76/69/210277669.db2.gz PPXDKZXLBLNHHC-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN COc1cc(C(=O)N2CCCC[C@@H]2c2cccnc2)c2ccccc2n1 ZINC000097604066 219039844 /nfs/dbraw/zinc/03/98/44/219039844.db2.gz BRZMUMOHQHEGQT-LJQANCHMSA-N 0 0 347.418 4.006 50 0 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CCN1CCSc2ccc(C(=O)Nc3cccc(C)c3C)cc21 ZINC000006802572 135676847 /nfs/dbraw/zinc/67/68/47/135676847.db2.gz PHKVCGLUYVFDPO-UHFFFAOYSA-N 0 0 326.465 4.488 50 0 EIAARN COc1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)c(OC)c1 ZINC000006876959 135678181 /nfs/dbraw/zinc/67/81/81/135678181.db2.gz QULTVQPDVPZHSI-GFCCVEGCSA-N 0 0 344.436 4.237 50 0 EIAARN C[C@@H]1C[C@H](C)[C@@H]2N(C1)c1ccccc1CC21C(=O)CC(C)(C)CC1=O ZINC000016957110 135711008 /nfs/dbraw/zinc/71/10/08/135711008.db2.gz WEOIUSWZPPNLHG-SIFCLUCFSA-N 0 0 339.479 4.038 50 0 EIAARN Cc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c(F)c1 ZINC000169775525 226570664 /nfs/dbraw/zinc/57/06/64/226570664.db2.gz IJGIFMRHHGNPCC-UHFFFAOYSA-N 0 0 347.353 4.385 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc2ncsc2c1 ZINC000170600804 226642261 /nfs/dbraw/zinc/64/22/61/226642261.db2.gz GHEDZJBZWOYGKQ-SNVBAGLBSA-N 0 0 348.374 4.389 50 0 EIAARN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000000588416 262519005 /nfs/dbraw/zinc/51/90/05/262519005.db2.gz 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COc1ccc(Cl)cc1C(=O)N[C@@H](C)Cc1cc2ccccc2o1 ZINC000253472009 536547667 /nfs/dbraw/zinc/54/76/67/536547667.db2.gz HTVDYJPBBHYIOG-LBPRGKRZSA-N 0 0 343.810 4.456 50 0 EIAARN CN(Cc1coc(-c2ccccc2)n1)Cc1nnc(-c2ccccc2)o1 ZINC000216416299 536485606 /nfs/dbraw/zinc/48/56/06/536485606.db2.gz WFAYNMZCGYTDCX-UHFFFAOYSA-N 0 0 346.390 4.024 50 0 EIAARN COc1cccc2c1N(C(=O)c1cc3c(s1)CC[C@H](C)C3)CCC2 ZINC000036754934 536958896 /nfs/dbraw/zinc/95/88/96/536958896.db2.gz RATANIOLFNYHAO-ZDUSSCGKSA-N 0 0 341.476 4.475 50 0 EIAARN FC(F)n1c2ccccc2nc1SCc1nnsc1Cl ZINC000043875214 563976077 /nfs/dbraw/zinc/97/60/77/563976077.db2.gz DJANYGKLBNRNKJ-UHFFFAOYSA-N 0 0 332.788 4.229 50 0 EIAARN CSc1nc2sc3c(c2c(SC)n1)C[C@@H](C(C)C)OC3 ZINC000000535209 564022088 /nfs/dbraw/zinc/02/20/88/564022088.db2.gz XVPZXQPNEDIPNB-VIFPVBQESA-N 0 0 326.512 4.232 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000084622039 564069154 /nfs/dbraw/zinc/06/91/54/564069154.db2.gz VMKMMTVCSUESRQ-UHFFFAOYSA-N 0 0 325.195 4.428 50 0 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O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1F ZINC000000077597 563217639 /nfs/dbraw/zinc/21/76/39/563217639.db2.gz BQQMZKVQOJEQQS-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN COc1ccccc1C1CCN(C(=S)Nc2ccccc2)CC1 ZINC000000083286 563219219 /nfs/dbraw/zinc/21/92/19/563219219.db2.gz DKSZRVZKPYJJLO-UHFFFAOYSA-N 0 0 326.465 4.272 50 0 EIAARN CSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)Nc1ccccc1-2 ZINC000000086221 563220021 /nfs/dbraw/zinc/22/00/21/563220021.db2.gz UKUYZKQYYVGLGL-MRXNPFEDSA-N 0 0 336.420 4.072 50 0 EIAARN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2N1)OCO3 ZINC000000094860 563223550 /nfs/dbraw/zinc/22/35/50/563223550.db2.gz SVKWAXJFZOFQQH-VIFPVBQESA-N 0 0 336.174 4.196 50 0 EIAARN O=C1CCC(=O)N1c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000000100271 563225682 /nfs/dbraw/zinc/22/56/82/563225682.db2.gz PZAYULLRNYUVEL-UHFFFAOYSA-N 0 0 336.174 4.439 50 0 EIAARN COc1ccc(Nc2ncnc3ccc(Br)cc32)cc1 ZINC000000101737 563226234 /nfs/dbraw/zinc/22/62/34/563226234.db2.gz LNMOBOCUMOIVCH-UHFFFAOYSA-N 0 0 330.185 4.145 50 0 EIAARN CN(C)C(=O)c1c2c(sc1NC(=O)c1cccs1)CCCCC2 ZINC000000103371 563226585 /nfs/dbraw/zinc/22/65/85/563226585.db2.gz UQPKPUXSKIITOS-UHFFFAOYSA-N 0 0 348.493 4.033 50 0 EIAARN CCOc1cccc(-c2nc3ccc(Br)cc3c(=O)o2)c1 ZINC000000103991 563226973 /nfs/dbraw/zinc/22/69/73/563226973.db2.gz XBMZANWFYVNVOV-UHFFFAOYSA-N 0 0 346.180 4.016 50 0 EIAARN O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1ccccc1O ZINC000000113802 563230622 /nfs/dbraw/zinc/23/06/22/563230622.db2.gz RJWPMZLEPDBFLE-UHFFFAOYSA-N 0 0 348.789 4.412 50 0 EIAARN CCOC(=O)c1cc(C)n(-c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000000115213 563231422 /nfs/dbraw/zinc/23/14/22/563231422.db2.gz KODJPOIMLOBSFX-UHFFFAOYSA-N 0 0 333.602 4.318 50 0 EIAARN COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000000119838 563233746 /nfs/dbraw/zinc/23/37/46/563233746.db2.gz JPVZXDNGPVCEIB-UHFFFAOYSA-N 0 0 343.386 4.491 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1cncc(Br)c1 ZINC000000121131 563234209 /nfs/dbraw/zinc/23/42/09/563234209.db2.gz OEDJEDHFRZZSHP-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN CCOC(=O)CSc1nc2cc(Cl)c(Cl)cc2n1CC ZINC000000121279 563234365 /nfs/dbraw/zinc/23/43/65/563234365.db2.gz JPXLFLIGPMZKLZ-UHFFFAOYSA-N 0 0 333.240 4.018 50 0 EIAARN Cc1ccc(-c2nc(-c3ccc(OCC(F)(F)F)nc3)no2)cc1 ZINC000000124555 563236175 /nfs/dbraw/zinc/23/61/75/563236175.db2.gz LEFBNYAQFHQHRG-UHFFFAOYSA-N 0 0 335.285 4.048 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000000137964 563241180 /nfs/dbraw/zinc/24/11/80/563241180.db2.gz XKIDWVUPWQYMQP-UHFFFAOYSA-N 0 0 327.733 4.331 50 0 EIAARN CCc1cccc(C)c1NC(=O)COc1ccccc1Br ZINC000000141194 563242205 /nfs/dbraw/zinc/24/22/05/563242205.db2.gz VUVDVTBZBBVZBR-UHFFFAOYSA-N 0 0 348.240 4.337 50 0 EIAARN CCOc1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000145609 563244160 /nfs/dbraw/zinc/24/41/60/563244160.db2.gz HVUBGNRHSMMVRB-UHFFFAOYSA-N 0 0 339.313 4.122 50 0 EIAARN CCOC(=O)c1oc2nc(-c3ccco3)cc(-c3ccco3)c2c1N ZINC000000159173 563248497 /nfs/dbraw/zinc/24/84/97/563248497.db2.gz PFEGLABZJGFAFV-UHFFFAOYSA-N 0 0 338.319 4.107 50 0 EIAARN Clc1ccc(-c2nnc3n2N=C(c2cccs2)CS3)cc1 ZINC000000160058 563248996 /nfs/dbraw/zinc/24/89/96/563248996.db2.gz BMYUDPDEJWWXNI-UHFFFAOYSA-N 0 0 332.841 4.018 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 ZINC000000168829 563250345 /nfs/dbraw/zinc/25/03/45/563250345.db2.gz YWRGKJJANHXWLB-UHFFFAOYSA-N 0 0 336.435 4.119 50 0 EIAARN Cn1nc(C(F)(F)F)c(C=O)c1Oc1ccc(Cl)cc1Cl ZINC000000169712 563250603 /nfs/dbraw/zinc/25/06/03/563250603.db2.gz CMSJMPQRMWUIIJ-UHFFFAOYSA-N 0 0 339.100 4.351 50 0 EIAARN CSc1nn(-c2ccccc2)cc1C(=O)Oc1ccc(Cl)cc1 ZINC000000170676 563250839 /nfs/dbraw/zinc/25/08/39/563250839.db2.gz JVIDNKKWYPWZOS-UHFFFAOYSA-N 0 0 344.823 4.467 50 0 EIAARN COc1c(Cl)cc(Cl)cc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000000195174 563257672 /nfs/dbraw/zinc/25/76/72/563257672.db2.gz IVPZVSZETBJBQI-ZSOIEALJSA-N 0 0 348.185 4.347 50 0 EIAARN CCC(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC000000285704 563272674 /nfs/dbraw/zinc/27/26/74/563272674.db2.gz LUVJRGOTIYPJSM-UHFFFAOYSA-N 0 0 332.197 4.294 50 0 EIAARN O[C@H](CN(c1ccccc1)c1ccccc1)Cn1cnc2ccccc21 ZINC000000290002 563273486 /nfs/dbraw/zinc/27/34/86/563273486.db2.gz UADOBENHDRZEKF-FQEVSTJZSA-N 0 0 343.430 4.236 50 0 EIAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(F)cc4)cc3n2)cc1 ZINC000000298360 563275304 /nfs/dbraw/zinc/27/53/04/563275304.db2.gz OAEBCSFXJXTBTL-UHFFFAOYSA-N 0 0 346.365 4.120 50 0 EIAARN Cc1ccc(OCC(=O)Nc2cccc(C)c2C)c(Br)c1 ZINC000000299483 563275344 /nfs/dbraw/zinc/27/53/44/563275344.db2.gz OAFRUYHLVOTGRW-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN COc1ccccc1CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000000299764 563275366 /nfs/dbraw/zinc/27/53/66/563275366.db2.gz FVNAUHWJLODSEC-UHFFFAOYSA-N 0 0 331.415 4.144 50 0 EIAARN COc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1Cl ZINC000000302216 563276011 /nfs/dbraw/zinc/27/60/11/563276011.db2.gz PWYXAKSTOANULT-UHFFFAOYSA-N 0 0 333.815 4.291 50 0 EIAARN Cc1cc(C)c(CSc2nnc(-c3ccccc3O)n2C)c(C)c1 ZINC000000311352 563280909 /nfs/dbraw/zinc/28/09/09/563280909.db2.gz MRKJFNBPRUUYHQ-UHFFFAOYSA-N 0 0 339.464 4.405 50 0 EIAARN COc1cccc(C=O)c1OC(=O)c1cc(Cl)ccc1Cl ZINC000000313479 563281707 /nfs/dbraw/zinc/28/17/07/563281707.db2.gz IMGXSJYDOJPANX-UHFFFAOYSA-N 0 0 325.147 4.034 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)C(C)C)c(C)c1 ZINC000000314993 563282378 /nfs/dbraw/zinc/28/23/78/563282378.db2.gz VCONDVLLWPDJIC-UHFFFAOYSA-N 0 0 331.481 4.211 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000000316505 563283036 /nfs/dbraw/zinc/28/30/36/563283036.db2.gz VUDPFJWXNJTCAY-CMDGGOBGSA-N 0 0 338.388 4.245 50 0 EIAARN CCCC(=O)Nc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000000318275 563283749 /nfs/dbraw/zinc/28/37/49/563283749.db2.gz AIIOZGCYFGVNPK-UHFFFAOYSA-N 0 0 340.423 4.465 50 0 EIAARN COc1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000000333047 563284920 /nfs/dbraw/zinc/28/49/20/563284920.db2.gz JDFHIKIRIASUFG-KRWDZBQOSA-N 0 0 346.430 4.276 50 0 EIAARN COc1cc2c3c(C)nn(-c4ccccc4)c3nc(C)c2cc1OC ZINC000000332954 563284979 /nfs/dbraw/zinc/28/49/79/563284979.db2.gz XCXFZGWTAOVGKY-UHFFFAOYSA-N 0 0 333.391 4.208 50 0 EIAARN COc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000000335639 563285316 /nfs/dbraw/zinc/28/53/16/563285316.db2.gz WMTAMYWOAQQFAD-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN Fc1ccc(-n2nnnc2-c2c[nH]c3c2cc(Cl)cc3Cl)cc1 ZINC000000340673 563286229 /nfs/dbraw/zinc/28/62/29/563286229.db2.gz CILRKEOEVKPMFY-UHFFFAOYSA-N 0 0 348.168 4.257 50 0 EIAARN CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1 ZINC000000348598 563288727 /nfs/dbraw/zinc/28/87/27/563288727.db2.gz GTVLSULMGPJBBX-UHFFFAOYSA-N 0 0 326.373 4.297 50 0 EIAARN C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000351888 563289757 /nfs/dbraw/zinc/28/97/57/563289757.db2.gz ZQIYXRXFRWIRJA-JTQLQIEISA-N 0 0 327.277 4.251 50 0 EIAARN O=C(Nc1ccc(SC(F)F)cc1)c1cc2ccccc2oc1=O ZINC000000351914 563289787 /nfs/dbraw/zinc/28/97/87/563289787.db2.gz QUGFHLZHHYZDKR-UHFFFAOYSA-N 0 0 347.342 4.360 50 0 EIAARN CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@H]1C2 ZINC000000352935 563290141 /nfs/dbraw/zinc/29/01/41/563290141.db2.gz ARZVELAWNXFNEU-FVMDXXJSSA-N 0 0 326.223 4.327 50 0 EIAARN O=C(c1ccc(Br)o1)N(Cc1ccccc1)CC1CCC1 ZINC000000359161 563292291 /nfs/dbraw/zinc/29/22/91/563292291.db2.gz XXGNOJAXMKVFKH-UHFFFAOYSA-N 0 0 348.240 4.485 50 0 EIAARN O=C(NC(=S)Nc1ccccc1Cl)c1cccc(Cl)c1 ZINC000000361114 563293754 /nfs/dbraw/zinc/29/37/54/563293754.db2.gz KKLRGCQRBFULPA-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1Br ZINC000000362835 563294483 /nfs/dbraw/zinc/29/44/83/563294483.db2.gz RIUJTDWTXWBROD-UHFFFAOYSA-N 0 0 340.604 4.120 50 0 EIAARN Cc1ccc2nc(NC(=O)COc3ccc(C)cc3C)sc2c1 ZINC000000363335 563294759 /nfs/dbraw/zinc/29/47/59/563294759.db2.gz ZHNKSFISRAJWFG-UHFFFAOYSA-N 0 0 326.421 4.239 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)C1CCCCC1 ZINC000000367706 563296798 /nfs/dbraw/zinc/29/67/98/563296798.db2.gz MUOFMCKBXCUBAB-UHFFFAOYSA-N 0 0 348.402 4.374 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 ZINC000000368152 563297238 /nfs/dbraw/zinc/29/72/38/563297238.db2.gz LIPMGWZEXXRHLF-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)c3)nc2)c1 ZINC000000369355 563297255 /nfs/dbraw/zinc/29/72/55/563297255.db2.gz NZJWCUHISVYEOK-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccco2)cc1 ZINC000000373974 563298032 /nfs/dbraw/zinc/29/80/32/563298032.db2.gz PRUUATSTWGAHOX-UHFFFAOYSA-N 0 0 331.375 4.463 50 0 EIAARN Cc1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1 ZINC000000374231 563298439 /nfs/dbraw/zinc/29/84/39/563298439.db2.gz NOQRPVPCNSDEOQ-UHFFFAOYSA-N 0 0 337.345 4.035 50 0 EIAARN C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000375446 563298725 /nfs/dbraw/zinc/29/87/25/563298725.db2.gz KYCATQZSRHNATO-LLVKDONJSA-N 0 0 339.819 4.009 50 0 EIAARN O=C(c1ccccc1)C1N(c2ccccc2)CCN1c1ccccc1 ZINC000000382883 563300698 /nfs/dbraw/zinc/30/06/98/563300698.db2.gz SBTWYXAGKPTURD-UHFFFAOYSA-N 0 0 328.415 4.222 50 0 EIAARN CCCc1nn(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl ZINC000000385494 563302157 /nfs/dbraw/zinc/30/21/57/563302157.db2.gz POKNVWONCBDCMP-UHFFFAOYSA-N 0 0 345.752 4.297 50 0 EIAARN Cn1nc(-c2ccccc2)c2c1cnn(Cc1ccccc1)c2=S ZINC000000385727 563302518 /nfs/dbraw/zinc/30/25/18/563302518.db2.gz PLYDHVSNRRBSPF-UHFFFAOYSA-N 0 0 332.432 4.215 50 0 EIAARN Cc1ccc(-n2ncc(SCc3ccccc3)c(Cl)c2=O)cc1 ZINC000000385737 563302595 /nfs/dbraw/zinc/30/25/95/563302595.db2.gz JDRMSSWCZUKONR-UHFFFAOYSA-N 0 0 342.851 4.487 50 0 EIAARN O=C(Nc1cccnc1Cl)c1cc(-c2cccc(Cl)c2)on1 ZINC000000425664 563309843 /nfs/dbraw/zinc/30/98/43/563309843.db2.gz LWAPDCPQWIBRBM-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN COc1ccc(-n2ncc3c2ncnc3Nc2cc(C)ccc2C)cc1 ZINC000000426381 563310117 /nfs/dbraw/zinc/31/01/17/563310117.db2.gz GEKSEGQQCGTIKV-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2cccnc2)no1 ZINC000000430487 563311269 /nfs/dbraw/zinc/31/12/69/563311269.db2.gz GELDTPYXTFQWLT-UHFFFAOYSA-N 0 0 338.754 4.415 50 0 EIAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 ZINC000000432687 563311480 /nfs/dbraw/zinc/31/14/80/563311480.db2.gz MQKXDOXLKNLCEM-SFHVURJKSA-N 0 0 344.414 4.140 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1Br ZINC000000442173 563314517 /nfs/dbraw/zinc/31/45/17/563314517.db2.gz OOPPIYWBHOTCGE-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN COc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000000442295 563314525 /nfs/dbraw/zinc/31/45/25/563314525.db2.gz DLDIJYKBVFYIKG-JTQLQIEISA-N 0 0 340.206 4.408 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000000442645 563314760 /nfs/dbraw/zinc/31/47/60/563314760.db2.gz NIHIBTBTLZEANX-HNNXBMFYSA-N 0 0 334.213 4.245 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000000448775 563318481 /nfs/dbraw/zinc/31/84/81/563318481.db2.gz VEXUWRSKVKVOAF-UHFFFAOYSA-N 0 0 344.414 4.177 50 0 EIAARN CC(C)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000000450666 563319724 /nfs/dbraw/zinc/31/97/24/563319724.db2.gz SOAMUBQVOGQEBK-UHFFFAOYSA-N 0 0 338.382 4.491 50 0 EIAARN Cc1ccc(C(=O)COC(=O)c2cc(C)nc3c(C)cccc23)cc1 ZINC000000453193 563321592 /nfs/dbraw/zinc/32/15/92/563321592.db2.gz DRDXWWXIRUYHOE-UHFFFAOYSA-N 0 0 333.387 4.200 50 0 EIAARN Cc1cc(C(=O)OCC(=O)c2ccc(C)c(C)c2)c2ccccc2n1 ZINC000000453203 563321643 /nfs/dbraw/zinc/32/16/43/563321643.db2.gz TXVBJXVFSNCCOA-UHFFFAOYSA-N 0 0 333.387 4.200 50 0 EIAARN Cc1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c1 ZINC000000456701 563324207 /nfs/dbraw/zinc/32/42/07/563324207.db2.gz WYSXMWQJLJBYOW-JXMROGBWSA-N 0 0 330.840 4.175 50 0 EIAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1 ZINC000000457707 563324841 /nfs/dbraw/zinc/32/48/41/563324841.db2.gz QOOMLSCPANFPRK-UHFFFAOYSA-N 0 0 348.855 4.174 50 0 EIAARN Cc1ccnc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 ZINC000000459931 563326151 /nfs/dbraw/zinc/32/61/51/563326151.db2.gz UDRQXZZBHOZKKA-UHFFFAOYSA-N 0 0 335.388 4.364 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000000461997 563326733 /nfs/dbraw/zinc/32/67/33/563326733.db2.gz CZOWFWGDPKCSLV-UHFFFAOYSA-N 0 0 346.814 4.195 50 0 EIAARN COc1cccc(-n2c(C)nc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000000462442 563327249 /nfs/dbraw/zinc/32/72/49/563327249.db2.gz MXXJJVLSIMNZKE-UHFFFAOYSA-N 0 0 335.190 4.010 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1 ZINC000000466735 563328400 /nfs/dbraw/zinc/32/84/00/563328400.db2.gz FJQMNGXJVJMRTI-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN O=Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000000469301 563330184 /nfs/dbraw/zinc/33/01/84/563330184.db2.gz ROBRZEPVGIQZMR-UHFFFAOYSA-N 0 0 325.589 4.494 50 0 EIAARN CC[C@@H](C)Oc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000000470557 563330845 /nfs/dbraw/zinc/33/08/45/563330845.db2.gz MDNIWHCKACEEBU-UHCBGPFTSA-N 0 0 327.468 4.418 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl ZINC000000475002 563333506 /nfs/dbraw/zinc/33/35/06/563333506.db2.gz MDUJVSNVYWRGSC-UHFFFAOYSA-N 0 0 338.234 4.467 50 0 EIAARN O=C(Oc1cc(=O)oc2ccccc12)c1ccc(Cl)cc1Cl ZINC000000480091 563336119 /nfs/dbraw/zinc/33/61/19/563336119.db2.gz ZLVSPQQEPHVHTQ-UHFFFAOYSA-N 0 0 335.142 4.319 50 0 EIAARN Fc1ccccc1CNc1ccccc1I ZINC000000504191 563339276 /nfs/dbraw/zinc/33/92/76/563339276.db2.gz ZUZGNNOQIRZQQY-UHFFFAOYSA-N 0 0 327.140 4.042 50 0 EIAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)N3[C@@H](C)CCC[C@@H]3C)nn21 ZINC000000519953 563340437 /nfs/dbraw/zinc/34/04/37/563340437.db2.gz GSTQYWKPVKSOKS-GJZGRUSLSA-N 0 0 348.450 4.108 50 0 EIAARN Cc1ccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 ZINC000000528263 563341799 /nfs/dbraw/zinc/34/17/99/563341799.db2.gz GFCKOUQWHFUMAA-UHFFFAOYSA-N 0 0 349.434 4.404 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 ZINC000000533497 563343147 /nfs/dbraw/zinc/34/31/47/563343147.db2.gz FTRGKXDQXIEDQM-HNNXBMFYSA-N 0 0 336.387 4.368 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCc1ccc(CC)o1 ZINC000000540546 563343869 /nfs/dbraw/zinc/34/38/69/563343869.db2.gz PDKNDDNVRANJIM-UHFFFAOYSA-N 0 0 349.452 4.268 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 ZINC000000555039 563345127 /nfs/dbraw/zinc/34/51/27/563345127.db2.gz XJZIQNCERSNNBQ-AWEZNQCLSA-N 0 0 343.448 4.209 50 0 EIAARN O=C(COc1cccc2ccccc21)Nc1cccc2cccnc21 ZINC000000556626 563345812 /nfs/dbraw/zinc/34/58/12/563345812.db2.gz QRFBNCDUCRSFTJ-UHFFFAOYSA-N 0 0 328.371 4.406 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc1 ZINC000000568395 563348084 /nfs/dbraw/zinc/34/80/84/563348084.db2.gz VOOLINUCWJNYIZ-UHFFFAOYSA-N 0 0 326.440 4.492 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000000569595 563348789 /nfs/dbraw/zinc/34/87/89/563348789.db2.gz QAIMFLKKCWWGDH-UHFFFAOYSA-N 0 0 348.402 4.206 50 0 EIAARN S=C(c1ccc(C(=S)N2CCCCC2)cc1)N1CCCCC1 ZINC000000573577 563350355 /nfs/dbraw/zinc/35/03/55/563350355.db2.gz SDXKILUPCLISFT-UHFFFAOYSA-N 0 0 332.538 4.009 50 0 EIAARN COC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000000581797 563351508 /nfs/dbraw/zinc/35/15/08/563351508.db2.gz PQHCZCCTXLOMKW-UHFFFAOYSA-N 0 0 325.408 4.331 50 0 EIAARN O=C(NC(=S)NC1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000000587250 563351778 /nfs/dbraw/zinc/35/17/78/563351778.db2.gz GGSZEORHKOFQRL-UHFFFAOYSA-N 0 0 338.476 4.291 50 0 EIAARN COc1ccc(Cl)cc1NC(=S)N1c2ccccc2C[C@@H]1C ZINC000000609481 563352880 /nfs/dbraw/zinc/35/28/80/563352880.db2.gz FYZXWEQVRVRKEV-NSHDSACASA-N 0 0 332.856 4.497 50 0 EIAARN CCOc1ccc(NC(=S)NCCc2cccc(Cl)c2)cc1 ZINC000000611624 563354809 /nfs/dbraw/zinc/35/48/09/563354809.db2.gz ZROKMTOFWJZUOT-UHFFFAOYSA-N 0 0 334.872 4.268 50 0 EIAARN CC(C)(C)c1ccc(-c2nnc3sc(-c4ccncc4)nn32)cc1 ZINC000000612735 563355760 /nfs/dbraw/zinc/35/57/60/563355760.db2.gz JASYWCQGDVUHJZ-UHFFFAOYSA-N 0 0 335.436 4.212 50 0 EIAARN CCc1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1 ZINC000000620081 563361658 /nfs/dbraw/zinc/36/16/58/563361658.db2.gz KRKRMETVZDHYNR-UHFFFAOYSA-N 0 0 333.800 4.266 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)Nc1nc2c(s1)CCCC2 ZINC000000620849 563362098 /nfs/dbraw/zinc/36/20/98/563362098.db2.gz KRPFQNKYPRIFDB-UHFFFAOYSA-N 0 0 338.885 4.406 50 0 EIAARN COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cc1OC ZINC000000621483 563362272 /nfs/dbraw/zinc/36/22/72/563362272.db2.gz PQQAJJTZRMMQOF-AWEZNQCLSA-N 0 0 344.480 4.368 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC000000859762 563365246 /nfs/dbraw/zinc/36/52/46/563365246.db2.gz NLSRBLJZGTYLJE-CQSZACIVSA-N 0 0 343.448 4.042 50 0 EIAARN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccncc1 ZINC000000900587 563365917 /nfs/dbraw/zinc/36/59/17/563365917.db2.gz PFDCOZXELJAUTR-GOSISDBHSA-N 0 0 338.794 4.069 50 0 in-vitro EIAARN Cc1cc(C)c(C(=O)Nc2cccc(F)c2)c2c1C(=O)C(C)(C)C2 ZINC000000988173 563367366 /nfs/dbraw/zinc/36/73/66/563367366.db2.gz HVLGVAVJVVCDCO-UHFFFAOYSA-N 0 0 325.383 4.460 50 0 EIAARN COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1ccco1 ZINC000001054778 563370901 /nfs/dbraw/zinc/37/09/01/563370901.db2.gz UBHSJTHEWMBPJJ-UHFFFAOYSA-N 0 0 341.388 4.355 50 0 EIAARN CCOC(=O)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O ZINC000001058826 563371532 /nfs/dbraw/zinc/37/15/32/563371532.db2.gz RXZPASDVZYHKLB-UHFFFAOYSA-N 0 0 342.778 4.214 50 0 EIAARN CSc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000001066005 563372623 /nfs/dbraw/zinc/37/26/23/563372623.db2.gz WXPDTNHFKMOVOC-UHFFFAOYSA-N 0 0 327.858 4.171 50 0 EIAARN CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000001071758 563373244 /nfs/dbraw/zinc/37/32/44/563373244.db2.gz YZBVUCNRGXUOAA-UHFFFAOYSA-N 0 0 339.313 4.365 50 0 EIAARN COc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)c(OC)c1 ZINC000001077586 563373792 /nfs/dbraw/zinc/37/37/92/563373792.db2.gz BLXKOFJYIHVLCV-UHFFFAOYSA-N 0 0 339.391 4.248 50 0 EIAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3cnco3)cc2)s1 ZINC000071883124 563374915 /nfs/dbraw/zinc/37/49/15/563374915.db2.gz BTKZFUZNCWOYQZ-GFCCVEGCSA-N 0 0 341.436 4.248 50 0 EIAARN CCOC(=O)Nc1ccc(NC(=O)c2sccc2SC)cc1 ZINC000071884151 563377657 /nfs/dbraw/zinc/37/76/57/563377657.db2.gz BPNHVHMXNINFRB-UHFFFAOYSA-N 0 0 336.438 4.291 50 0 EIAARN O=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1ccc(O)cc1 ZINC000001211271 563379636 /nfs/dbraw/zinc/37/96/36/563379636.db2.gz YXUKVFZVBCRIGF-ZROIWOOFSA-N 0 0 331.780 4.287 50 0 EIAARN COc1cccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)c1 ZINC000001295524 563382439 /nfs/dbraw/zinc/38/24/39/563382439.db2.gz ZSCVLLUIYNXIPR-UHFFFAOYSA-N 0 0 340.408 4.166 50 0 EIAARN CCOc1ccc(NC(=O)Nc2nnc(C3CCCC3)s2)cc1 ZINC000001301858 563383106 /nfs/dbraw/zinc/38/31/06/563383106.db2.gz QPWGVNMHJKKVLL-UHFFFAOYSA-N 0 0 332.429 4.238 50 0 EIAARN O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001326670 563383425 /nfs/dbraw/zinc/38/34/25/563383425.db2.gz FWEZFVDOUXUMNH-UHFFFAOYSA-N 0 0 336.460 4.245 50 0 EIAARN FC(F)(F)c1ccc(-c2noc(-c3ccc(Cl)nc3)n2)cc1 ZINC000001383374 563384653 /nfs/dbraw/zinc/38/46/53/563384653.db2.gz MQZOVTJIHCZHAC-UHFFFAOYSA-N 0 0 325.677 4.471 50 0 EIAARN Nc1nccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 ZINC000001383799 563384654 /nfs/dbraw/zinc/38/46/54/563384654.db2.gz LAMKPYKCCSEZKX-UHFFFAOYSA-N 0 0 329.762 4.097 50 0 EIAARN CCOC(=O)N[C@H](c1ccccc1F)[C@H]1CCc2ccccc2C1=O ZINC000001394509 563386060 /nfs/dbraw/zinc/38/60/60/563386060.db2.gz DSIBFIVRUVDNPE-SJLPKXTDSA-N 0 0 341.382 4.058 50 0 EIAARN Cc1ccsc1CNc1ccc(I)cc1 ZINC000001427408 563388422 /nfs/dbraw/zinc/38/84/22/563388422.db2.gz MATDBCKEDGMTSH-UHFFFAOYSA-N 0 0 329.206 4.273 50 0 EIAARN Cc1cc(CNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1 ZINC000001423679 563388469 /nfs/dbraw/zinc/38/84/69/563388469.db2.gz XFKHETVUDNLUKG-UHFFFAOYSA-N 0 0 344.336 4.492 50 0 EIAARN O=C(Nc1ccc(Cn2ccnc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000001428807 563388881 /nfs/dbraw/zinc/38/88/81/563388881.db2.gz GOSIUSLNSFRIHF-UHFFFAOYSA-N 0 0 345.324 4.203 50 0 EIAARN CCOC(=O)c1[nH]c(COC(C)=O)c2c1CCCCCCCCCC2 ZINC000001617898 563397143 /nfs/dbraw/zinc/39/71/43/563397143.db2.gz QXSITRBXWYTNOD-UHFFFAOYSA-N 0 0 349.471 4.474 50 0 EIAARN CCN(CC)C(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])N(CC)CC ZINC000001640418 563398571 /nfs/dbraw/zinc/39/85/71/563398571.db2.gz RAXKPWAKMDDUBY-UHFFFAOYSA-N 0 0 344.670 4.001 50 0 EIAARN CCCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000001847626 563414178 /nfs/dbraw/zinc/41/41/78/563414178.db2.gz OZGSVINLVCLKSN-UHFFFAOYSA-N 0 0 328.803 4.203 50 0 EIAARN CC[C@H](NC(=O)N(Cc1ccsc1)C1CCCC1)c1nc(C)c[nH]1 ZINC000584902362 563417524 /nfs/dbraw/zinc/41/75/24/563417524.db2.gz JLABQKRLUWSTLO-INIZCTEOSA-N 0 0 346.500 4.385 50 0 EIAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1 ZINC000002053724 563420184 /nfs/dbraw/zinc/42/01/84/563420184.db2.gz YLSIQDQNVLDDFT-UHFFFAOYSA-N 0 0 342.464 4.301 50 0 EIAARN CCOC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccc2)c1 ZINC000002073540 563421383 /nfs/dbraw/zinc/42/13/83/563421383.db2.gz QAGQCBQCALUQFJ-UHFFFAOYSA-N 0 0 345.826 4.478 50 0 EIAARN Fc1cccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)c1 ZINC000071889973 563421929 /nfs/dbraw/zinc/42/19/29/563421929.db2.gz WBOTXKDAIOGDCG-UHFFFAOYSA-N 0 0 344.430 4.428 50 0 EIAARN Clc1ccccc1-c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 ZINC000071890665 563424068 /nfs/dbraw/zinc/42/40/68/563424068.db2.gz GWXYFGDYZJCADK-UHFFFAOYSA-N 0 0 338.754 4.471 50 0 EIAARN O=C(NCCOCc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002190108 563426182 /nfs/dbraw/zinc/42/61/82/563426182.db2.gz RLJYJYSAMFDBFK-UHFFFAOYSA-N 0 0 345.442 4.152 50 0 EIAARN CC(C)(C)c1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1 ZINC000002441140 563432383 /nfs/dbraw/zinc/43/23/83/563432383.db2.gz QRQMTUNRSNKSNB-UHFFFAOYSA-N 0 0 341.455 4.026 50 0 EIAARN COc1ccc2c(CCNC(=O)Nc3ccc(Cl)cc3)c[nH]c2c1 ZINC000002437544 563432431 /nfs/dbraw/zinc/43/24/31/563432431.db2.gz BPBAYXVDLXFVOM-UHFFFAOYSA-N 0 0 343.814 4.194 50 0 EIAARN Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccccc2)Nc2ncnn21 ZINC000002471847 563433219 /nfs/dbraw/zinc/43/32/19/563433219.db2.gz OTQCYDBKAMGLKK-CABCVRRESA-N 0 0 328.778 4.217 50 0 EIAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000002507976 563434883 /nfs/dbraw/zinc/43/48/83/563434883.db2.gz FMNPCVNWRFPDCA-ADAARDCZSA-N 0 0 328.452 4.483 50 0 biogenic,in-vitro EIAARN O=C(c1cccc(C(F)(F)F)c1)c1ccccc1CN1CC=CC1 ZINC000002515904 563437147 /nfs/dbraw/zinc/43/71/47/563437147.db2.gz GXEPLYDKLPYBOD-UHFFFAOYSA-N 0 0 331.337 4.308 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000002532416 563439831 /nfs/dbraw/zinc/43/98/31/563439831.db2.gz AAWMBROGCMAZMI-UHFFFAOYSA-N 0 0 329.208 4.022 50 0 EIAARN Nc1sc2c(c1C(=O)Nc1cccc(C(F)(F)F)c1)CCCC2 ZINC000002558469 563441165 /nfs/dbraw/zinc/44/11/65/563441165.db2.gz YLRLNZTZOLTXIO-UHFFFAOYSA-N 0 0 340.370 4.480 50 0 EIAARN Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 ZINC000002761044 563449476 /nfs/dbraw/zinc/44/94/76/563449476.db2.gz OQKBRNKLPOUKHQ-UHFFFAOYSA-N 0 0 339.366 4.236 50 0 EIAARN CC(C)CCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002771491 563450163 /nfs/dbraw/zinc/45/01/63/563450163.db2.gz CVYICWMTJASGBS-NSHDSACASA-N 0 0 338.300 4.487 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2cccc(NC(=O)CC)c2)c1 ZINC000002811031 563451628 /nfs/dbraw/zinc/45/16/28/563451628.db2.gz HPHOMYPYPPFUJR-UHFFFAOYSA-N 0 0 340.423 4.466 50 0 EIAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1O ZINC000002814322 563452257 /nfs/dbraw/zinc/45/22/57/563452257.db2.gz MBRJKJAMVQEFMZ-UHFFFAOYSA-N 0 0 325.408 4.457 50 0 EIAARN CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccco2)cc1OC ZINC000002819056 563452601 /nfs/dbraw/zinc/45/26/01/563452601.db2.gz BIZFLUVBAXHXDF-PKNBQFBNSA-N 0 0 342.395 4.069 50 0 EIAARN CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000002855749 563456424 /nfs/dbraw/zinc/45/64/24/563456424.db2.gz SVYGTSHJFOQFLL-UHFFFAOYSA-N 0 0 333.453 4.147 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000002868737 563458788 /nfs/dbraw/zinc/45/87/88/563458788.db2.gz MQKMLTJHBSVFDQ-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN CCc1ccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)cc1 ZINC000002873053 563459334 /nfs/dbraw/zinc/45/93/34/563459334.db2.gz ABPWOZPLTILTJV-UHFFFAOYSA-N 0 0 336.460 4.478 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000002952585 563464297 /nfs/dbraw/zinc/46/42/97/563464297.db2.gz KUPGXFKFKAZHAN-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN COc1cccc(OC)c1OCCOc1cc(Cl)ccc1Cl ZINC000002985010 563466424 /nfs/dbraw/zinc/46/64/24/563466424.db2.gz VNJMUXJIAWUWSL-UHFFFAOYSA-N 0 0 343.206 4.468 50 0 EIAARN CCOc1ccccc1OCCOCCOc1cccc(C)c1C ZINC000002991348 563468248 /nfs/dbraw/zinc/46/82/48/563468248.db2.gz SCIFIWVISRLNEJ-UHFFFAOYSA-N 0 0 330.424 4.177 50 0 EIAARN CCCC[C@H](CC)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000002993538 563468479 /nfs/dbraw/zinc/46/84/79/563468479.db2.gz QSPUVBFDRSNMLS-NSHDSACASA-N 0 0 345.270 4.265 50 0 EIAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2NC1CCCC1 ZINC000003063623 563470547 /nfs/dbraw/zinc/47/05/47/563470547.db2.gz KHJRMZBZSNFWHX-UHFFFAOYSA-N 0 0 336.439 4.376 50 0 EIAARN CC(C)C[C@H]1Cc2nc(NC(=O)c3cccs3)sc2C(=O)C1 ZINC000003108037 563472588 /nfs/dbraw/zinc/47/25/88/563472588.db2.gz ADIXZMDGKXMZJC-JTQLQIEISA-N 0 0 334.466 4.248 50 0 EIAARN Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000003145177 563474291 /nfs/dbraw/zinc/47/42/91/563474291.db2.gz GRRYGPYATNGHAZ-UHFFFAOYSA-N 0 0 337.444 4.063 50 0 EIAARN CCc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(F)cc1F ZINC000034796843 563481098 /nfs/dbraw/zinc/48/10/98/563481098.db2.gz KFHISFFFSHKFTM-UHFFFAOYSA-N 0 0 327.334 4.170 50 0 EIAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CC[C@@H]1CCCO1 ZINC000046163850 563485325 /nfs/dbraw/zinc/48/53/25/563485325.db2.gz PGQBOMZPHBZCGS-KRWDZBQOSA-N 0 0 349.434 4.207 50 0 EIAARN CC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cccc(Cl)c1Cl ZINC000584904301 563493553 /nfs/dbraw/zinc/49/35/53/563493553.db2.gz UKSJJGUEFDJHHY-IAOVAPTHSA-N 0 0 342.266 4.208 50 0 EIAARN Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Br)c1 ZINC000004549517 563505111 /nfs/dbraw/zinc/50/51/11/563505111.db2.gz BBHRJCRWIBSMRY-CYBMUJFWSA-N 0 0 348.240 4.014 50 0 EIAARN COc1ccccc1/C=C/CN1CCN(c2cccc(Cl)c2)CC1 ZINC000004980870 563517019 /nfs/dbraw/zinc/51/70/19/563517019.db2.gz HNXIOEPDMRTNKL-FNORWQNLSA-N 0 0 342.870 4.184 50 0 EIAARN Cc1ccc(-c2cnn3c2nc(C)cc3NCc2ccccn2)cc1 ZINC000005322719 563526359 /nfs/dbraw/zinc/52/63/59/563526359.db2.gz FKSVEZHOTYYEAZ-UHFFFAOYSA-N 0 0 329.407 4.020 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000005330769 563527193 /nfs/dbraw/zinc/52/71/93/563527193.db2.gz CQDRURBRFOFTAB-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN Cc1ccccc1C1=Nn2c(nnc2-c2ccccc2Cl)SC1 ZINC000005518179 563536497 /nfs/dbraw/zinc/53/64/97/563536497.db2.gz MHVSEWMMSSVYMU-UHFFFAOYSA-N 0 0 340.839 4.265 50 0 EIAARN Fc1ccc(N2C(=S)N=NC2Cc2cccs2)cc1Cl ZINC000005555849 563539645 /nfs/dbraw/zinc/53/96/45/563539645.db2.gz BVHTUFKEXKLBFF-UHFFFAOYSA-N 0 0 325.821 4.001 50 0 EIAARN COc1cc(Cl)cc(/C=C/c2ccc3cccc(O)c3n2)c1O ZINC000005586364 563541456 /nfs/dbraw/zinc/54/14/56/563541456.db2.gz UZJPUZNTEPYHII-SOFGYWHQSA-N 0 0 327.767 4.478 50 0 EIAARN COC(=O)/C=C/c1ccc(OCCCSc2ccccc2)cc1 ZINC000005669506 563544391 /nfs/dbraw/zinc/54/43/91/563544391.db2.gz JJZOIRJICXJDRC-JLHYYAGUSA-N 0 0 328.433 4.434 50 0 EIAARN CCOc1ccc2[nH]c(SCC(=O)Nc3cccc(C)c3)nc2c1 ZINC000005691432 563545814 /nfs/dbraw/zinc/54/58/14/563545814.db2.gz OQUQKXZKOOTYDJ-UHFFFAOYSA-N 0 0 341.436 4.001 50 0 EIAARN COc1ccc(C)cc1-n1c(=O)c2c(C)c(C)sc2[nH]c1=S ZINC000005695798 563545859 /nfs/dbraw/zinc/54/58/59/563545859.db2.gz HYTAQZHKNYTCGR-UHFFFAOYSA-N 0 0 332.450 4.044 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000006168280 563560270 /nfs/dbraw/zinc/56/02/70/563560270.db2.gz LOQGKAZXHSLWRT-WBVHZDCISA-N 0 0 342.483 4.320 50 0 EIAARN Nc1c2cc3c(nc2sc1C(=O)N1CCCCC1)CCCCCC3 ZINC000006276456 563563711 /nfs/dbraw/zinc/56/37/11/563563711.db2.gz BQVARZVRHRCHEV-UHFFFAOYSA-N 0 0 343.496 4.164 50 0 EIAARN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)NC1CCCC1 ZINC000071909889 563575445 /nfs/dbraw/zinc/57/54/45/563575445.db2.gz SHXJZKDGGXQYMD-DEOSSOPVSA-N 0 0 348.512 4.332 50 0 EIAARN COCc1ccc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)o1 ZINC000071909809 563575461 /nfs/dbraw/zinc/57/54/61/563575461.db2.gz JDYHIFDXCXREQT-UHFFFAOYSA-N 0 0 340.379 4.457 50 0 EIAARN C[C@@H](c1ccccn1)N(C)C(=O)CCCC(=O)c1ccc(Cl)cc1 ZINC000071909745 563575493 /nfs/dbraw/zinc/57/54/93/563575493.db2.gz HXZQSXUKKIPWIR-AWEZNQCLSA-N 0 0 344.842 4.308 50 0 EIAARN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)NC1CCCC1 ZINC000071909890 563575503 /nfs/dbraw/zinc/57/55/03/563575503.db2.gz SHXJZKDGGXQYMD-XMMPIXPASA-N 0 0 348.512 4.332 50 0 EIAARN Cc1cc(C)nc(SCC[S@](=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000006660774 563576712 /nfs/dbraw/zinc/57/67/12/563576712.db2.gz BTMXEAAEGBJKFH-HSZRJFAPSA-N 0 0 348.537 4.291 50 0 EIAARN Cc1ccsc1-c1cccc(NC(=O)N(C)Cc2cnccn2)c1 ZINC000071910911 563576743 /nfs/dbraw/zinc/57/67/43/563576743.db2.gz MJNJTJPLSDPRMW-UHFFFAOYSA-N 0 0 338.436 4.177 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CSCc2ccccc2Cl)c1 ZINC000006701709 563580102 /nfs/dbraw/zinc/58/01/02/563580102.db2.gz APOIJEFPZFHXDG-UHFFFAOYSA-N 0 0 348.855 4.170 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 ZINC000006701959 563580117 /nfs/dbraw/zinc/58/01/17/563580117.db2.gz GMEDZMQPPJDJKA-NSHDSACASA-N 0 0 348.855 4.418 50 0 EIAARN O=C(Nc1nnc(CCCc2ccccc2)s1)c1cccs1 ZINC000006702497 563580385 /nfs/dbraw/zinc/58/03/85/563580385.db2.gz SILAVPFHHSRROX-UHFFFAOYSA-N 0 0 329.450 4.027 50 0 EIAARN CSc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 ZINC000006703156 563580812 /nfs/dbraw/zinc/58/08/12/563580812.db2.gz VLVOPPYVAKQFPJ-UHFFFAOYSA-N 0 0 341.461 4.031 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)C[C@@H]2C)cc1 ZINC000006714350 563581566 /nfs/dbraw/zinc/58/15/66/563581566.db2.gz WHWUYWZTOTZVFY-AWEZNQCLSA-N 0 0 345.393 4.016 50 0 EIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1Cl ZINC000006730508 563583935 /nfs/dbraw/zinc/58/39/35/563583935.db2.gz QWBZUCOIBZGUIP-UHFFFAOYSA-N 0 0 341.798 4.052 50 0 EIAARN Cc1ccc(C)c(-c2ccc(=O)n(Cc3ccc(F)cc3Cl)n2)c1 ZINC000006767423 563586028 /nfs/dbraw/zinc/58/60/28/563586028.db2.gz UTMHGLZZTXAFBD-UHFFFAOYSA-N 0 0 342.801 4.368 50 0 EIAARN COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)n1cccc1 ZINC000006805542 563587225 /nfs/dbraw/zinc/58/72/25/563587225.db2.gz XCBFSGDRRWUQHH-IBGZPJMESA-N 0 0 334.419 4.228 50 0 EIAARN CCCOc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000002582797 563593813 /nfs/dbraw/zinc/59/38/13/563593813.db2.gz YWPOEFUTMKFNCC-KPKJPENVSA-N 0 0 329.827 4.458 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000007185156 563596662 /nfs/dbraw/zinc/59/66/62/563596662.db2.gz TYEZZUGDWWDBJV-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN Cc1cc(OCC(O)COc2ccc(Cl)c(C)c2)ccc1Cl ZINC000002685829 563600837 /nfs/dbraw/zinc/60/08/37/563600837.db2.gz FFRDZXWLEBQDEB-UHFFFAOYSA-N 0 0 341.234 4.429 50 0 EIAARN C[C@@H](c1ccccc1)n1c(CCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000007546508 563606040 /nfs/dbraw/zinc/60/60/40/563606040.db2.gz MLSSRHCCRFUSMP-INIZCTEOSA-N 0 0 349.478 4.350 50 0 EIAARN O=C(Nc1c(F)cccc1F)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043265791 563606072 /nfs/dbraw/zinc/60/60/72/563606072.db2.gz FJQGNBXKKXFWJC-KRWDZBQOSA-N 0 0 339.345 4.271 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1cccc(OC(F)(F)C(F)F)c1 ZINC000002760977 563610228 /nfs/dbraw/zinc/61/02/28/563610228.db2.gz YBOOZCPIHSOXMA-UHFFFAOYSA-N 0 0 349.230 4.454 50 0 EIAARN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(C)cc1 ZINC000007720205 563612046 /nfs/dbraw/zinc/61/20/46/563612046.db2.gz HWYAPBNHPHLVLN-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN O=C(Nc1nccs1)c1ccccc1COc1ccc(F)cc1F ZINC000002793318 563616232 /nfs/dbraw/zinc/61/62/32/563616232.db2.gz BUYOKWUAJJLJCV-UHFFFAOYSA-N 0 0 346.358 4.253 50 0 EIAARN Cc1ccc(OCn2ccc(C(=O)Nc3ccc(C)c(C)c3)n2)c(C)c1 ZINC000002796478 563616622 /nfs/dbraw/zinc/61/66/22/563616622.db2.gz AURJGAPMBIOVQT-UHFFFAOYSA-N 0 0 349.434 4.406 50 0 EIAARN CC[C@H](Sc1nnc(Cc2cccs2)o1)C(=O)c1ccccc1 ZINC000071915125 563617210 /nfs/dbraw/zinc/61/72/10/563617210.db2.gz CYQUCJUIQWBZDN-AWEZNQCLSA-N 0 0 344.461 4.476 50 0 EIAARN Cc1c(C(=O)Nc2ccccc2C)nnn1-c1cc(C)ccc1Cl ZINC000008022378 563619267 /nfs/dbraw/zinc/61/92/67/563619267.db2.gz BXTXCVDNDSDYIH-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN Cc1cccc(-c2nsc(SCC(=O)c3ccccc3)n2)c1 ZINC000002917588 563619351 /nfs/dbraw/zinc/61/93/51/563619351.db2.gz XBMGTYIZJPMPEW-UHFFFAOYSA-N 0 0 326.446 4.489 50 0 EIAARN CCO[C@@H](C)c1nc(CSc2nncn2-c2ccccc2)cs1 ZINC000071916363 563621411 /nfs/dbraw/zinc/62/14/11/563621411.db2.gz TZHNSYJUBRORLK-LBPRGKRZSA-N 0 0 346.481 4.114 50 0 EIAARN CC1CCN(C(=O)c2cccc(OCCOc3ccccc3)c2)CC1 ZINC000008563512 563632572 /nfs/dbraw/zinc/63/25/72/563632572.db2.gz SYZJTSJSWOKWNP-UHFFFAOYSA-N 0 0 339.435 4.017 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([C@@H](C)O)c1 ZINC000008714214 563636421 /nfs/dbraw/zinc/63/64/21/563636421.db2.gz VRGAXDURPYISGQ-OLZOCXBDSA-N 0 0 333.815 4.108 50 0 EIAARN CCc1c(C(=O)Nc2cccc3ccccc32)nnn1-c1ccccc1 ZINC000008715185 563637000 /nfs/dbraw/zinc/63/70/00/563637000.db2.gz MFDMLGCEUPZRCC-UHFFFAOYSA-N 0 0 342.402 4.235 50 0 EIAARN CC(C)(C)C(=O)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000008739151 563638432 /nfs/dbraw/zinc/63/84/32/563638432.db2.gz RWAKXOZLGZBEKI-UHFFFAOYSA-N 0 0 330.240 4.497 50 0 EIAARN CCN(C(=O)[C@@H](C)Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000008746270 563639164 /nfs/dbraw/zinc/63/91/64/563639164.db2.gz ZUYQMOSSEYQGJP-CYBMUJFWSA-N 0 0 325.437 4.097 50 0 EIAARN COc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 ZINC000032593466 563662702 /nfs/dbraw/zinc/66/27/02/563662702.db2.gz IXACPQWZPVRTAH-CQSZACIVSA-N 0 0 348.446 4.231 50 0 EIAARN Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](C)C2 ZINC000012653613 563667124 /nfs/dbraw/zinc/66/71/24/563667124.db2.gz PPISIGQOAHKBEF-OAHLLOKOSA-N 0 0 349.478 4.009 50 0 EIAARN CCCCc1nc2cc(C(=O)N[C@H](C)CCCC(C)(C)O)ccc2o1 ZINC000012713048 563668755 /nfs/dbraw/zinc/66/87/55/563668755.db2.gz PWRLXYPNYIYRRN-CQSZACIVSA-N 0 0 346.471 4.230 50 0 EIAARN Cc1c([C@H](C)NC(=O)c2cccs2)cnn1-c1ccccc1C ZINC000012714324 563669096 /nfs/dbraw/zinc/66/90/96/563669096.db2.gz QNFIRLDJVUZTML-ZDUSSCGKSA-N 0 0 325.437 4.042 50 0 EIAARN O=C(/C=C\c1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000012731773 563669471 /nfs/dbraw/zinc/66/94/71/563669471.db2.gz CYILRZXUUOPOFG-JYRVWZFOSA-N 0 0 332.359 4.184 50 0 EIAARN O=C(c1cc2c(s1)CCC2)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000032619703 563669472 /nfs/dbraw/zinc/66/94/72/563669472.db2.gz GSNOFDGEIWDIBL-UHFFFAOYSA-N 0 0 349.459 4.043 50 0 EIAARN COCc1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)o1 ZINC000012745580 563669719 /nfs/dbraw/zinc/66/97/19/563669719.db2.gz SPLHQQDIEZKLDU-KRWDZBQOSA-N 0 0 341.451 4.219 50 0 EIAARN c1ccc(CN(Cc2nc(COc3ccccc3)no2)CC2CC2)cc1 ZINC000012756073 563670143 /nfs/dbraw/zinc/67/01/43/563670143.db2.gz CVDUVVCRACGWFT-UHFFFAOYSA-N 0 0 349.434 4.061 50 0 EIAARN Cc1cc(C)c(C)c(C(=O)CSc2nnc(NC3CC3)s2)c1C ZINC000012803595 563674142 /nfs/dbraw/zinc/67/41/42/563674142.db2.gz WLPCSKLWGIAABI-UHFFFAOYSA-N 0 0 347.509 4.321 50 0 EIAARN CC(C)c1nnc(NC(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000012807730 563674531 /nfs/dbraw/zinc/67/45/31/563674531.db2.gz YDDLUHZHEJGALE-UHFFFAOYSA-N 0 0 334.203 4.360 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1 ZINC000012818311 563674829 /nfs/dbraw/zinc/67/48/29/563674829.db2.gz FLUUPZWKRQZSCP-MRXNPFEDSA-N 0 0 325.408 4.114 50 0 EIAARN O=C(CCC1CCCCC1)Nc1ncn(Cc2cccc(Cl)c2)n1 ZINC000032647825 563675652 /nfs/dbraw/zinc/67/56/52/563675652.db2.gz MDJSFGCHXXQPCL-UHFFFAOYSA-N 0 0 346.862 4.279 50 0 EIAARN CC1CCN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1 ZINC000012939645 563677777 /nfs/dbraw/zinc/67/77/77/563677777.db2.gz ZIEFCASCJLUBMD-UHFFFAOYSA-N 0 0 349.887 4.281 50 0 EIAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc3cccnc32)cc1 ZINC000012974738 563680128 /nfs/dbraw/zinc/68/01/28/563680128.db2.gz ZQONFTVDFZSXDM-CQSZACIVSA-N 0 0 336.391 4.040 50 0 EIAARN CC(C)(C)c1csc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000012994112 563683033 /nfs/dbraw/zinc/68/30/33/563683033.db2.gz YGNZKYPEIDQKAM-LBPRGKRZSA-N 0 0 336.844 4.036 50 0 EIAARN CCCCNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000013019203 563685396 /nfs/dbraw/zinc/68/53/96/563685396.db2.gz YONCLMDDOQLEKV-UHFFFAOYSA-N 0 0 335.407 4.242 50 0 EIAARN Cc1ccc(-n2cnn(CN3CCC[C@@H](C)C3)c2=S)cc1Cl ZINC000013097635 563687686 /nfs/dbraw/zinc/68/76/86/563687686.db2.gz YEDBDWTXKXAIMF-GFCCVEGCSA-N 0 0 336.892 4.055 50 0 EIAARN COc1cc(C[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O ZINC000013108863 563687727 /nfs/dbraw/zinc/68/77/27/563687727.db2.gz QDDILOVMGWUNGD-UONOGXRCSA-N 0 0 328.408 4.187 50 0 endogenous,in-man EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2C)cc1 ZINC000013115479 563688412 /nfs/dbraw/zinc/68/84/12/563688412.db2.gz LZVMDRWDDBHINA-HXUWFJFHSA-N 0 0 349.459 4.052 50 0 EIAARN COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000013124762 563689228 /nfs/dbraw/zinc/68/92/28/563689228.db2.gz BAIZGCLOUWAISR-HOTGVXAUSA-N 0 0 340.814 4.086 50 0 EIAARN CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(OC)cc2)c(O)c1 ZINC000013127221 563689687 /nfs/dbraw/zinc/68/96/87/563689687.db2.gz RLECCWRYKOQKCK-UHFFFAOYSA-N 0 0 340.379 4.290 50 0 EIAARN Cc1ccc(F)cc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000013281252 563693538 /nfs/dbraw/zinc/69/35/38/563693538.db2.gz KWQUFZAUJQSDAL-UHFFFAOYSA-N 0 0 349.818 4.395 50 0 EIAARN O=C(NCc1ccncc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000013282169 563693771 /nfs/dbraw/zinc/69/37/71/563693771.db2.gz MFVDNSCXDWSHLN-UHFFFAOYSA-N 0 0 339.398 4.227 50 0 EIAARN CCOc1cccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000013326303 563695303 /nfs/dbraw/zinc/69/53/03/563695303.db2.gz HZWAEHZYVNAELK-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000013327057 563695375 /nfs/dbraw/zinc/69/53/75/563695375.db2.gz KIRUVMLSLRJOAM-UHFFFAOYSA-N 0 0 348.402 4.230 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000013328719 563695965 /nfs/dbraw/zinc/69/59/65/563695965.db2.gz XYZYXMVLKKGARN-CYBMUJFWSA-N 0 0 336.391 4.150 50 0 EIAARN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 ZINC000013479703 563699606 /nfs/dbraw/zinc/69/96/06/563699606.db2.gz NOPWFNUFMNOQQI-GASCZTMLSA-N 0 0 338.451 4.024 50 0 EIAARN O=C(NC[C@H]1CCCO1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000013514517 563700224 /nfs/dbraw/zinc/70/02/24/563700224.db2.gz JSGBZMDKRKVIGN-CLEQQJOVSA-N 0 0 341.838 4.176 50 0 EIAARN O=C1NC(=O)C(=Cc2ccccc2OCc2ccccc2Cl)S1 ZINC000013517273 563700287 /nfs/dbraw/zinc/70/02/87/563700287.db2.gz GTMDLXPVEQZQLA-DHDCSXOGSA-N 0 0 345.807 4.243 50 0 EIAARN C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000013596191 563703193 /nfs/dbraw/zinc/70/31/93/563703193.db2.gz IKVITQKMQWHWGW-VQHVLOKHSA-N 0 0 340.901 4.109 50 0 EIAARN O/N=c1/oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 ZINC000013629855 563704834 /nfs/dbraw/zinc/70/48/34/563704834.db2.gz RJCPRRWHWXOPMI-XUTLUUPISA-N 0 0 325.408 4.239 50 0 EIAARN CCOc1ccccc1CCCNC(=O)c1ccccc1SC ZINC000013670001 563708924 /nfs/dbraw/zinc/70/89/24/563708924.db2.gz RCVOYRSMXPRZOF-UHFFFAOYSA-N 0 0 329.465 4.170 50 0 EIAARN Fc1cccc(-c2nn3c(nnc3-c3cc4ccccc4[nH]3)s2)c1 ZINC000013686230 563710847 /nfs/dbraw/zinc/71/08/47/563710847.db2.gz PFOOBYFYKLPGAP-UHFFFAOYSA-N 0 0 335.367 4.140 50 0 EIAARN O=C(CCn1ccc2ccc(F)cc21)Nc1cccc2ncccc21 ZINC000013720398 563716005 /nfs/dbraw/zinc/71/60/05/563716005.db2.gz CEWUCYPOMLAGRP-UHFFFAOYSA-N 0 0 333.366 4.357 50 0 EIAARN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000013745296 563720323 /nfs/dbraw/zinc/72/03/23/563720323.db2.gz NQOCQZZPOJTCHS-JTQLQIEISA-N 0 0 325.195 4.103 50 0 EIAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cccc3cn[nH]c32)cc1 ZINC000032754589 563727943 /nfs/dbraw/zinc/72/79/43/563727943.db2.gz PWWRYJJEQXLRLY-LJQANCHMSA-N 0 0 349.434 4.329 50 0 EIAARN C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000032754467 563727971 /nfs/dbraw/zinc/72/79/71/563727971.db2.gz CDEZQCHRQMGNHG-CYBMUJFWSA-N 0 0 326.371 4.203 50 0 EIAARN Cc1cccc(OC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000032768056 563729619 /nfs/dbraw/zinc/72/96/19/563729619.db2.gz WYLOBQLAAGMMSL-UHFFFAOYSA-N 0 0 342.782 4.237 50 0 EIAARN COc1ccc2cc(C(=O)Nc3cccc(C(C)=O)c3)c(C)nc2c1 ZINC000014017841 563735979 /nfs/dbraw/zinc/73/59/79/563735979.db2.gz XWPWSTAPKLGTDK-UHFFFAOYSA-N 0 0 334.375 4.007 50 0 EIAARN CCOc1cccc2cc([C@H](C)NC(=O)Cc3ccsc3)oc21 ZINC000014022332 563736593 /nfs/dbraw/zinc/73/65/93/563736593.db2.gz KOUNIXMBVUPOEP-LBPRGKRZSA-N 0 0 329.421 4.313 50 0 EIAARN O=C(NCCCc1ccccc1)c1cc(C2CC2)nc2ccccc21 ZINC000014022182 563736601 /nfs/dbraw/zinc/73/66/01/563736601.db2.gz HEPBVWWLLFSGLE-UHFFFAOYSA-N 0 0 330.431 4.475 50 0 EIAARN COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000032796214 563737831 /nfs/dbraw/zinc/73/78/31/563737831.db2.gz USWDQSPUIBZBEK-MRXNPFEDSA-N 0 0 345.826 4.335 50 0 EIAARN COc1cccc(CSc2nnc(-c3cccc(C)c3)n2C)c1 ZINC000014081949 563738462 /nfs/dbraw/zinc/73/84/62/563738462.db2.gz IQYHPFRCNQHUBH-UHFFFAOYSA-N 0 0 325.437 4.091 50 0 EIAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CCC1 ZINC000014094805 563740144 /nfs/dbraw/zinc/74/01/44/563740144.db2.gz CBUMPUUPSWXXKQ-UHFFFAOYSA-N 0 0 345.446 4.015 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000014109361 563741268 /nfs/dbraw/zinc/74/12/68/563741268.db2.gz YXFLVBFGLWQYFI-GUYCJALGSA-N 0 0 345.439 4.255 50 0 EIAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCC[C@@H](C)C1 ZINC000014139173 563744952 /nfs/dbraw/zinc/74/49/52/563744952.db2.gz DYGLJUUKSICATA-CQSZACIVSA-N 0 0 344.480 4.211 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1C ZINC000014171758 563747094 /nfs/dbraw/zinc/74/70/94/563747094.db2.gz BYOCQVXISVXJBI-UHFFFAOYSA-N 0 0 329.827 4.236 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2ccc(OCc3ccccc3)cc2)o1 ZINC000014185805 563748610 /nfs/dbraw/zinc/74/86/10/563748610.db2.gz MCBFNQKXDMRGTR-UHFFFAOYSA-N 0 0 335.403 4.439 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(F)cc3)cs2)o1 ZINC000032816070 563748858 /nfs/dbraw/zinc/74/88/58/563748858.db2.gz SLMACZUJIKGTSN-GFCCVEGCSA-N 0 0 344.411 4.271 50 0 EIAARN Cc1cnc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)s1 ZINC000014197465 563749309 /nfs/dbraw/zinc/74/93/09/563749309.db2.gz SKQVGUXSOIZEEL-UHFFFAOYSA-N 0 0 343.456 4.153 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2oc3c(cccc3F)c2C)c1 ZINC000014200401 563750101 /nfs/dbraw/zinc/75/01/01/563750101.db2.gz JHJIYIYKVNRVRG-UHFFFAOYSA-N 0 0 326.327 4.091 50 0 EIAARN CCn1c2ccccc2nc1NC(=O)c1cc(C)nc2cc(F)ccc21 ZINC000032816360 563750511 /nfs/dbraw/zinc/75/05/11/563750511.db2.gz USAWNSNKMRIHHF-UHFFFAOYSA-N 0 0 348.381 4.304 50 0 EIAARN CCOc1ccc(Nc2ncccc2C(=O)N2CCCCCC2)cc1 ZINC000032814910 563753465 /nfs/dbraw/zinc/75/34/65/563753465.db2.gz KMPJLDXEMLKTLJ-UHFFFAOYSA-N 0 0 339.439 4.240 50 0 EIAARN CC(C)CCC[C@@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000014245806 563754696 /nfs/dbraw/zinc/75/46/96/563754696.db2.gz BWSFCSVGMAUWDZ-CQSZACIVSA-N 0 0 331.485 4.079 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(O)c1 ZINC000014245515 563754741 /nfs/dbraw/zinc/75/47/41/563754741.db2.gz WYGAPUCVQDMWOD-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN C[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccccc1F ZINC000032823569 563755515 /nfs/dbraw/zinc/75/55/15/563755515.db2.gz AKNCKENBNVJARO-NSHDSACASA-N 0 0 331.774 4.132 50 0 EIAARN CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)cc1 ZINC000014602581 563761628 /nfs/dbraw/zinc/76/16/28/563761628.db2.gz SRGUQNQIQLUEBA-FQEVSTJZSA-N 0 0 341.451 4.430 50 0 EIAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1ccccn1 ZINC000032845906 563761949 /nfs/dbraw/zinc/76/19/49/563761949.db2.gz MZZJIHWLTQBVSH-FQEVSTJZSA-N 0 0 328.371 4.347 50 0 EIAARN COc1ccc2c(Br)c(OC)ccc2c1Br ZINC000014628748 563762019 /nfs/dbraw/zinc/76/20/19/563762019.db2.gz ISDSFEXTWVVJKX-UHFFFAOYSA-N 0 0 346.018 4.382 50 0 EIAARN CSc1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000014678845 563762716 /nfs/dbraw/zinc/76/27/16/563762716.db2.gz XXPXAKQCGWLMMM-UHFFFAOYSA-N 0 0 347.308 4.285 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccccc2OC(F)(F)F)N1C1CC1 ZINC000032854066 563763084 /nfs/dbraw/zinc/76/30/84/563763084.db2.gz NFFJFMAIRRXPDB-MRXNPFEDSA-N 0 0 348.324 4.314 50 0 EIAARN COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3O)s2)cc1 ZINC000032855806 563763400 /nfs/dbraw/zinc/76/34/00/563763400.db2.gz LSXQTNICESOQGX-UHFFFAOYSA-N 0 0 340.404 4.085 50 0 EIAARN COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000032863046 563765270 /nfs/dbraw/zinc/76/52/70/563765270.db2.gz VJQZPTABELPTFB-HOTGVXAUSA-N 0 0 326.440 4.433 50 0 EIAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc2c1CCCC2 ZINC000014849272 563765895 /nfs/dbraw/zinc/76/58/95/563765895.db2.gz KFNNIYBLJUBDDI-QGZVFWFLSA-N 0 0 348.446 4.095 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000014849181 563766009 /nfs/dbraw/zinc/76/60/09/563766009.db2.gz GXAPJYWOKCRVHE-AWEZNQCLSA-N 0 0 342.826 4.178 50 0 EIAARN CC(C)NC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000014965681 563768509 /nfs/dbraw/zinc/76/85/09/563768509.db2.gz AOZDLHYRCHVWGL-UHFFFAOYSA-N 0 0 328.799 4.210 50 0 EIAARN CCOc1ccc(Br)c(C[C@H]2C(=O)Nc3ccccc32)c1 ZINC000015017867 563773312 /nfs/dbraw/zinc/77/33/12/563773312.db2.gz JLIBISSEDSEWJL-CQSZACIVSA-N 0 0 346.224 4.126 50 0 EIAARN CCN1c2ccc(Br)cc2[C@H](Cc2cccc(C)c2)C1=O ZINC000015018213 563773583 /nfs/dbraw/zinc/77/35/83/563773583.db2.gz RRENEEYNYDYLDB-INIZCTEOSA-N 0 0 344.252 4.450 50 0 EIAARN c1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn32)cc1 ZINC000015080781 563776834 /nfs/dbraw/zinc/77/68/34/563776834.db2.gz LGHHYOKEAPUESL-UHFFFAOYSA-N 0 0 336.464 4.321 50 0 EIAARN O=C1C[C@H](c2nc3cc(Cl)ccc3o2)CN1c1ccc(F)cc1 ZINC000015082885 563777177 /nfs/dbraw/zinc/77/71/77/563777177.db2.gz ISGOYOKRMVERCW-JTQLQIEISA-N 0 0 330.746 4.141 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1nc2ccccc2o1 ZINC000015091714 563778060 /nfs/dbraw/zinc/77/80/60/563778060.db2.gz QPVBYYJRZTVZHS-ZHACJKMWSA-N 0 0 349.415 4.109 50 0 EIAARN COc1cc(C)c(NC(=O)CCSc2ccccc2F)cc1OC ZINC000015192600 563779744 /nfs/dbraw/zinc/77/97/44/563779744.db2.gz QDZXJTQCNBSRMB-UHFFFAOYSA-N 0 0 349.427 4.272 50 0 EIAARN CCOc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000015307286 563781805 /nfs/dbraw/zinc/78/18/05/563781805.db2.gz UVGFPVDJCRFIPE-RVKKMQEKSA-N 0 0 347.455 4.172 50 0 EIAARN COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000015394921 563784235 /nfs/dbraw/zinc/78/42/35/563784235.db2.gz CABLVDSTQXFRKC-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN Cc1c2ccccc2sc1-c1csc(N2CCN(C)CC2)n1 ZINC000015453850 563784744 /nfs/dbraw/zinc/78/47/44/563784744.db2.gz SBDXNBVRZVVANP-UHFFFAOYSA-N 0 0 329.494 4.085 50 0 EIAARN O=C(NC1CC1)[C@@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000015469041 563784872 /nfs/dbraw/zinc/78/48/72/563784872.db2.gz ZWPDBRBOWQQOPY-NRFANRHFSA-N 0 0 349.478 4.109 50 0 EIAARN COc1ccc(F)cc1-c1csc(Cc2cn3ccccc3n2)n1 ZINC000032899502 563785397 /nfs/dbraw/zinc/78/53/97/563785397.db2.gz XYBUWVOPJCEMGD-UHFFFAOYSA-N 0 0 339.395 4.196 50 0 EIAARN O=C(c1ccc2c[nH]nc2c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000032901050 563787232 /nfs/dbraw/zinc/78/72/32/563787232.db2.gz IDJZHFAWKGHFRK-MRXNPFEDSA-N 0 0 348.431 4.150 50 0 EIAARN O=C(OCc1nc2ccccc2s1)c1ccc(C(F)(F)F)cn1 ZINC000032903363 563789091 /nfs/dbraw/zinc/78/90/91/563789091.db2.gz HKUMKEIDWBLWDJ-UHFFFAOYSA-N 0 0 338.310 4.067 50 0 EIAARN COC(=O)c1ccc2ccccc2c1OCc1cc(-c2ccco2)on1 ZINC000032905401 563791839 /nfs/dbraw/zinc/79/18/39/563791839.db2.gz LZYNGFRRBGUKKE-UHFFFAOYSA-N 0 0 349.342 4.453 50 0 EIAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc2ccc(C)nc21 ZINC000015835280 563794097 /nfs/dbraw/zinc/79/40/97/563794097.db2.gz MSGDHWHNBYPCAX-KRWDZBQOSA-N 0 0 338.382 4.478 50 0 EIAARN COc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 ZINC000015838529 563794406 /nfs/dbraw/zinc/79/44/06/563794406.db2.gz HKNYHUIHLCUJKD-UHFFFAOYSA-N 0 0 327.767 4.277 50 0 EIAARN Cc1n[nH]cc1CCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000032909009 563800453 /nfs/dbraw/zinc/80/04/53/563800453.db2.gz LPLUDVGUSDOSAB-UHFFFAOYSA-N 0 0 343.434 4.373 50 0 EIAARN CCOc1c(Cl)cc(C(=O)NC2CCC(C)CC2)cc1OC ZINC000015949272 563800839 /nfs/dbraw/zinc/80/08/39/563800839.db2.gz UXDRELRBGLHMPF-UHFFFAOYSA-N 0 0 325.836 4.056 50 0 EIAARN CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000004582235 563803259 /nfs/dbraw/zinc/80/32/59/563803259.db2.gz NKKYFPLHTWANPP-SFHVURJKSA-N 0 0 349.817 4.497 50 0 EIAARN c1ccc(-c2ccccc2OCc2nnc([C@@H]3CCCOC3)o2)cc1 ZINC000521393754 563804731 /nfs/dbraw/zinc/80/47/31/563804731.db2.gz XSFASBUKZIEUDP-MRXNPFEDSA-N 0 0 336.391 4.210 50 0 EIAARN Cc1occc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000016180730 563805215 /nfs/dbraw/zinc/80/52/15/563805215.db2.gz BRVPROZCWJQHPK-UHFFFAOYSA-N 0 0 325.339 4.449 50 0 EIAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000016383345 563810255 /nfs/dbraw/zinc/81/02/55/563810255.db2.gz DBUDKEAFTCJSCZ-UHFFFAOYSA-N 0 0 345.830 4.362 50 0 EIAARN Cc1ccc(CC(=O)NCc2cccc(COCc3ccco3)c2)cc1 ZINC000032915069 563812737 /nfs/dbraw/zinc/81/27/37/563812737.db2.gz IVAIZXPIMSCCQB-UHFFFAOYSA-N 0 0 349.430 4.164 50 0 EIAARN NC(=O)c1cccc2c1CCCN2Cc1ccc(Cl)cc1Cl ZINC000032916311 563814509 /nfs/dbraw/zinc/81/45/09/563814509.db2.gz QJMNZASUKUMSEO-UHFFFAOYSA-N 0 0 335.234 4.045 50 0 EIAARN O=S(=O)(Cc1ccccc1F)Nc1cccc(Cl)c1Cl ZINC000016578149 563814802 /nfs/dbraw/zinc/81/48/02/563814802.db2.gz INSKCQULOQINFT-UHFFFAOYSA-N 0 0 334.199 4.074 50 0 EIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCCC1 ZINC000016604910 563817089 /nfs/dbraw/zinc/81/70/89/563817089.db2.gz PLKOWMSNRSUNQH-UHFFFAOYSA-N 0 0 336.794 4.459 50 0 EIAARN CC(C)c1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccccc1 ZINC000016625380 563818062 /nfs/dbraw/zinc/81/80/62/563818062.db2.gz QBUOWVCPYZKDFH-UHFFFAOYSA-N 0 0 340.814 4.296 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2c3nsnc3ccc2C)c1 ZINC000016639355 563818514 /nfs/dbraw/zinc/81/85/14/563818514.db2.gz DFUDEZLYMBVFAP-UHFFFAOYSA-N 0 0 341.436 4.431 50 0 EIAARN CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1C(C)C ZINC000016780046 563823375 /nfs/dbraw/zinc/82/33/75/563823375.db2.gz JOACTTDMLJGZNA-PBHICJAKSA-N 0 0 339.501 4.066 50 0 EIAARN CC(=O)N[C@H](CC(=O)Nc1cc(C)ccc1C)c1ccccc1Cl ZINC000032922352 563824421 /nfs/dbraw/zinc/82/44/21/563824421.db2.gz WQLSAQOIIJAYGA-GOSISDBHSA-N 0 0 344.842 4.163 50 0 EIAARN CCCc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000017066765 563831161 /nfs/dbraw/zinc/83/11/61/563831161.db2.gz LGTAEPHTRKQCHR-ZDUSSCGKSA-N 0 0 326.396 4.251 50 0 EIAARN COc1cc(NC(=S)Nc2ccc3c(c2)CCC3)cc(OC)c1 ZINC000017067279 563831284 /nfs/dbraw/zinc/83/12/84/563831284.db2.gz JMFOJEARJVRPOX-UHFFFAOYSA-N 0 0 328.437 4.001 50 0 EIAARN Cc1cc(C)n(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)n1 ZINC000017070676 563833154 /nfs/dbraw/zinc/83/31/54/563833154.db2.gz WHPNAPSBMLTBGT-UHFFFAOYSA-N 0 0 336.292 4.104 50 0 EIAARN CCc1ccc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000017070939 563833445 /nfs/dbraw/zinc/83/34/45/563833445.db2.gz LWBDHIJLQAFNNB-UHFFFAOYSA-N 0 0 337.467 4.220 50 0 EIAARN S=C(NCc1ccco1)Nc1ccc(Br)c(Cl)c1 ZINC000017072037 563835342 /nfs/dbraw/zinc/83/53/42/563835342.db2.gz LHSIZQNZSCTZTB-UHFFFAOYSA-N 0 0 345.649 4.182 50 0 EIAARN Fc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000017150081 563838826 /nfs/dbraw/zinc/83/88/26/563838826.db2.gz QOAOQAXBVKLIPC-UHFFFAOYSA-N 0 0 339.761 4.352 50 0 EIAARN Clc1cccc(-n2ncc3c2ncnc3NCc2ccccc2)c1 ZINC000017189439 563839763 /nfs/dbraw/zinc/83/97/63/563839763.db2.gz ZWLBSRKCDBRYDY-UHFFFAOYSA-N 0 0 335.798 4.081 50 0 EIAARN O=C(CCc1ccccc1)NCc1ccnc(Oc2ccccc2)c1 ZINC000032930533 563841369 /nfs/dbraw/zinc/84/13/69/563841369.db2.gz XMMJLZJQQWGVRG-UHFFFAOYSA-N 0 0 332.403 4.123 50 0 EIAARN Cc1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)c(C)c1 ZINC000032930327 563841573 /nfs/dbraw/zinc/84/15/73/563841573.db2.gz LIKBOQXJKVCVCM-UHFFFAOYSA-N 0 0 346.430 4.207 50 0 EIAARN CN(C)C(=S)O/C(=C\SC(=O)c1ccccc1)c1ccccc1 ZINC000017299324 563842224 /nfs/dbraw/zinc/84/22/24/563842224.db2.gz KDSYAEIDFOQEJW-SSZFMOIBSA-N 0 0 343.473 4.422 50 0 EIAARN CCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C ZINC000032932495 563843009 /nfs/dbraw/zinc/84/30/09/563843009.db2.gz XYGJIHBQILDLPS-UHFFFAOYSA-N 0 0 334.803 4.024 50 0 EIAARN Cc1cccc(CN2CCCC[C@H]2c2nc(-c3ccncc3)no2)c1 ZINC000065286101 563845125 /nfs/dbraw/zinc/84/51/25/563845125.db2.gz WXDIQSPDMUFWCB-SFHVURJKSA-N 0 0 334.423 4.167 50 0 EIAARN O=c1cc(-c2ccccc2)nc(SCc2ccccc2Cl)[nH]1 ZINC000017903170 563846308 /nfs/dbraw/zinc/84/63/08/563846308.db2.gz YOAHOPYOUKZLDU-UHFFFAOYSA-N 0 0 328.824 4.383 50 0 EIAARN CCOc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)c2ccccc12 ZINC000018043720 563847419 /nfs/dbraw/zinc/84/74/19/563847419.db2.gz WIEMMWUTFXAPGM-GASCZTMLSA-N 0 0 347.480 4.190 50 0 EIAARN O=C(Nc1nnc(CCc2ccccc2)s1)Nc1ccccc1F ZINC000018097787 563848651 /nfs/dbraw/zinc/84/86/51/563848651.db2.gz RDQBJMLYYVZYFO-UHFFFAOYSA-N 0 0 342.399 4.106 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000018098766 563848705 /nfs/dbraw/zinc/84/87/05/563848705.db2.gz YBMIVNGOUISOMT-TXEJJXNPSA-N 0 0 332.831 4.422 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000018121870 563848948 /nfs/dbraw/zinc/84/89/48/563848948.db2.gz VPJJWEIMUGKTIV-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN CCC(=O)Nc1ccc(-c2csc(N3CCC[C@H](C)C3)n2)cc1 ZINC000071971931 563856936 /nfs/dbraw/zinc/85/69/36/563856936.db2.gz ZROGREAHCGGIRG-ZDUSSCGKSA-N 0 0 329.469 4.395 50 0 EIAARN CCc1nnc(-c2cccc(NC(=O)CCc3ccc(F)cc3)c2)o1 ZINC000175400536 563859005 /nfs/dbraw/zinc/85/90/05/563859005.db2.gz MKRRBBFKCUBUKQ-UHFFFAOYSA-N 0 0 339.370 4.009 50 0 EIAARN COc1ccc(C(=O)c2sc(Nc3ccc(C)cc3)nc2N)cc1 ZINC000032947562 563864365 /nfs/dbraw/zinc/86/43/65/563864365.db2.gz STVDTVRRLBYOJA-UHFFFAOYSA-N 0 0 339.420 4.017 50 0 EIAARN Cc1ccc(C)c(C(=O)c2sc(Nc3cccc(F)c3)nc2N)c1 ZINC000032947876 563864723 /nfs/dbraw/zinc/86/47/23/563864723.db2.gz CRZJWZHIPFBBBG-UHFFFAOYSA-N 0 0 341.411 4.456 50 0 EIAARN O=C(CSC12CC3CC(CC(C3)C1)C2)NCCc1ccc(F)cc1 ZINC000024213180 563869637 /nfs/dbraw/zinc/86/96/37/563869637.db2.gz JKTVPVQAZRVZFU-UHFFFAOYSA-N 0 0 347.499 4.186 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)N(CC(C)C)C1CC1 ZINC000043448826 563870451 /nfs/dbraw/zinc/87/04/51/563870451.db2.gz BNGUOAINAUGFBA-UHFFFAOYSA-N 0 0 325.250 4.410 50 0 EIAARN COc1cccc(CN(C)Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000024362097 563871126 /nfs/dbraw/zinc/87/11/26/563871126.db2.gz JAVFOIWDPKXKAB-UHFFFAOYSA-N 0 0 326.371 4.121 50 0 EIAARN Cc1cc(C(=O)CSc2ncc3ccccn32)c(C)n1C1CC1 ZINC000024500812 563871957 /nfs/dbraw/zinc/87/19/57/563871957.db2.gz XJCOOZZLWOQLKW-UHFFFAOYSA-N 0 0 325.437 4.063 50 0 EIAARN Cc1cc(COC(=O)c2ccc3noc(-c4ccccc4)c3c2)on1 ZINC000024509449 563871997 /nfs/dbraw/zinc/87/19/97/563871997.db2.gz GXKCIIGUWTUHQP-UHFFFAOYSA-N 0 0 334.331 4.148 50 0 EIAARN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1Cl ZINC000024484736 563872026 /nfs/dbraw/zinc/87/20/26/563872026.db2.gz PVSOFFOZZUHZQK-RHSMWYFYSA-N 0 0 349.858 4.195 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)CCc2ccccc2F)c1 ZINC000024551347 563872528 /nfs/dbraw/zinc/87/25/28/563872528.db2.gz HGMXIAQYDJSHNZ-UHFFFAOYSA-N 0 0 331.387 4.194 50 0 EIAARN O=C(c1cccc2cn[nH]c21)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000024584954 563873232 /nfs/dbraw/zinc/87/32/32/563873232.db2.gz BAGGELSAXUBTQA-OAHLLOKOSA-N 0 0 348.431 4.150 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCOCC1 ZINC000024649976 563873844 /nfs/dbraw/zinc/87/38/44/563873844.db2.gz AKHYSOKNBOKXJA-UHFFFAOYSA-N 0 0 338.432 4.328 50 0 EIAARN CCCN(CC1CC1)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000024818751 563875987 /nfs/dbraw/zinc/87/59/87/563875987.db2.gz VRBJLGCZHQMMQP-UHFFFAOYSA-N 0 0 343.496 4.448 50 0 EIAARN CC[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000024971605 563878515 /nfs/dbraw/zinc/87/85/15/563878515.db2.gz HOBCGDGBMOYCMS-HNNXBMFYSA-N 0 0 347.459 4.099 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)nc1)c1cccc(Cl)c1Cl ZINC000025106247 563880952 /nfs/dbraw/zinc/88/09/52/563880952.db2.gz PBJPZFKUARESQG-UHFFFAOYSA-N 0 0 336.222 4.241 50 0 EIAARN O=C(Nc1cccc(Cn2ccnc2)c1)c1cccc(C(F)(F)F)c1 ZINC000025263858 563882566 /nfs/dbraw/zinc/88/25/66/563882566.db2.gz LLHHNJJJVLOXGG-UHFFFAOYSA-N 0 0 345.324 4.203 50 0 EIAARN CCC(CC)NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC000025678922 563887086 /nfs/dbraw/zinc/88/70/86/563887086.db2.gz NKGJWNFEBGWNEL-UHFFFAOYSA-N 0 0 341.411 4.326 50 0 EIAARN O[C@H]1C[C@](O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000025762874 563888078 /nfs/dbraw/zinc/88/80/78/563888078.db2.gz MAOWNDYORGAXCL-REWPJTCUSA-N 0 0 328.411 4.250 50 0 EIAARN COc1ccc2nc(C)c(C(=O)Nc3ccc(F)cc3F)cc2c1 ZINC000025765667 563888384 /nfs/dbraw/zinc/88/83/84/563888384.db2.gz OLKODVOVIQRPJS-UHFFFAOYSA-N 0 0 328.318 4.082 50 0 EIAARN Cc1ccc(OCCNC(=O)N(C)[C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000025949005 563889226 /nfs/dbraw/zinc/88/92/26/563889226.db2.gz OQHFMELWGXSMBH-MRXNPFEDSA-N 0 0 344.430 4.224 50 0 EIAARN Cc1ccccc1-n1ccnc1SCC(=O)c1ccccc1F ZINC000026047045 563889892 /nfs/dbraw/zinc/88/98/92/563889892.db2.gz NHJUDGVWYLCKEQ-UHFFFAOYSA-N 0 0 326.396 4.295 50 0 EIAARN Cc1cc(C)c(NC(=O)CNC(=O)N[C@@H](C)CCCC(C)C)c(C)c1 ZINC000026181256 563890235 /nfs/dbraw/zinc/89/02/35/563890235.db2.gz TVHHSMRAWGJSDC-KRWDZBQOSA-N 0 0 347.503 4.064 50 0 EIAARN CN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000026295318 563890820 /nfs/dbraw/zinc/89/08/20/563890820.db2.gz GPCQIZSFZDGULR-GXTWGEPZSA-N 0 0 332.341 4.088 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)s1)O[C@@H](C)C2 ZINC000026886636 563893899 /nfs/dbraw/zinc/89/38/99/563893899.db2.gz IQTVQVAVDUHMNJ-NSHDSACASA-N 0 0 331.437 4.339 50 0 EIAARN Cc1cc(C(=O)CSc2ncnc3ccsc32)c(C)n1C1CC1 ZINC000026958631 563894044 /nfs/dbraw/zinc/89/40/44/563894044.db2.gz HHZUBQQSTQWTTO-UHFFFAOYSA-N 0 0 343.477 4.420 50 0 EIAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)NCCC(C)C)cc1 ZINC000032952938 563894546 /nfs/dbraw/zinc/89/45/46/563894546.db2.gz RATLDHYMFKQBHK-UHFFFAOYSA-N 0 0 333.435 4.381 50 0 EIAARN Cc1ccc(-c2noc(COC(=O)c3cc(Cl)ccc3F)n2)cc1 ZINC000027113299 563894833 /nfs/dbraw/zinc/89/48/33/563894833.db2.gz NMLPWEWEEWPPJO-UHFFFAOYSA-N 0 0 346.745 4.195 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cc1 ZINC000027396451 563895605 /nfs/dbraw/zinc/89/56/05/563895605.db2.gz KLNCXRCAGCYRSW-INIZCTEOSA-N 0 0 327.449 4.223 50 0 EIAARN O=C(COc1ccccc1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000027580253 563896801 /nfs/dbraw/zinc/89/68/01/563896801.db2.gz ATWGUGQPPBRWRB-UHFFFAOYSA-N 0 0 341.407 4.499 50 0 EIAARN c1csc(-c2noc(CCCSc3ncc4ccccn43)n2)c1 ZINC000027667352 563898798 /nfs/dbraw/zinc/89/87/98/563898798.db2.gz WUGGGMOVWJGERO-UHFFFAOYSA-N 0 0 342.449 4.171 50 0 EIAARN CC[C@@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000027680332 563898805 /nfs/dbraw/zinc/89/88/05/563898805.db2.gz GBMBIDADYYCRLI-OXQOHEQNSA-N 0 0 333.435 4.243 50 0 EIAARN C[C@@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccc2c(c1)OCO2 ZINC000027689696 563898840 /nfs/dbraw/zinc/89/88/40/563898840.db2.gz LSXMEODRYPMHFA-HBIYDYFMSA-N 0 0 345.398 4.459 50 0 EIAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3cccnc3)o2)cc1C ZINC000028006644 563901109 /nfs/dbraw/zinc/90/11/09/563901109.db2.gz NLYWXGKXUPAUFE-INIZCTEOSA-N 0 0 349.434 4.163 50 0 EIAARN CCSc1ncc(Cl)c(-c2nnc(-c3ccccc3C)o2)n1 ZINC000028287731 563902039 /nfs/dbraw/zinc/90/20/39/563902039.db2.gz XGSRUSBHRJALTM-UHFFFAOYSA-N 0 0 332.816 4.267 50 0 EIAARN O=C(c1ccco1)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289145 563902050 /nfs/dbraw/zinc/90/20/50/563902050.db2.gz AMCBXLTVOAQSNE-UHFFFAOYSA-N 0 0 330.746 4.314 50 0 EIAARN O=C(CCCC1CCCCC1)NCc1ccc(Cn2ccnc2)cc1 ZINC000028695930 563903888 /nfs/dbraw/zinc/90/38/88/563903888.db2.gz JCASEQQMANOXKH-UHFFFAOYSA-N 0 0 339.483 4.298 50 0 EIAARN Cc1[nH]c2ccc(C(=O)Nc3n[nH]c(-c4ccc(C)cc4)n3)cc2c1C ZINC000028788001 563904051 /nfs/dbraw/zinc/90/40/51/563904051.db2.gz XMXVOHUXOGMZJW-UHFFFAOYSA-N 0 0 345.406 4.131 50 0 EIAARN Cc1nc(SCc2nc(C(C)C)no2)[nH]c1Cc1ccccc1 ZINC000029137037 563904996 /nfs/dbraw/zinc/90/49/96/563904996.db2.gz LKVLQHGJPUSMFB-UHFFFAOYSA-N 0 0 328.441 4.108 50 0 EIAARN Cc1nc2ccccc2nc1S[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000029283247 563905414 /nfs/dbraw/zinc/90/54/14/563905414.db2.gz JCUJLDYOMGXPLG-SFHVURJKSA-N 0 0 349.459 4.050 50 0 EIAARN Clc1cc(CNc2nc3ccccc3o2)cc2c1OCCCO2 ZINC000029391252 563906288 /nfs/dbraw/zinc/90/62/88/563906288.db2.gz NWWJONXZFSGESS-UHFFFAOYSA-N 0 0 330.771 4.255 50 0 EIAARN COc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000072285877 563907198 /nfs/dbraw/zinc/90/71/98/563907198.db2.gz NEKVEZQTFNOVPO-GVDBMIGSSA-N 0 0 342.464 4.009 50 0 EIAARN C[C@H](COCc1ccccc1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000072285826 563907206 /nfs/dbraw/zinc/90/72/06/563907206.db2.gz CMCLYCLMFXIHLM-WBVHZDCISA-N 0 0 344.480 4.050 50 0 EIAARN CC[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000072288651 563908446 /nfs/dbraw/zinc/90/84/46/563908446.db2.gz DUQDHHJTGJMBOK-LRDDRELGSA-N 0 0 331.847 4.440 50 0 EIAARN Cc1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cn1 ZINC000029840997 563908700 /nfs/dbraw/zinc/90/87/00/563908700.db2.gz XMJGHZMTYDNCQQ-NRFANRHFSA-N 0 0 328.415 4.178 50 0 EIAARN Cc1ncc(-c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)o1 ZINC000029859639 563908759 /nfs/dbraw/zinc/90/87/59/563908759.db2.gz APQBYJJVJBYDHI-UHFFFAOYSA-N 0 0 331.375 4.313 50 0 EIAARN O=C(Nc1ccc(-n2ccnc2)cc1)c1cc2c(s1)CCCCC2 ZINC000029915041 563908909 /nfs/dbraw/zinc/90/89/09/563908909.db2.gz UHERGYLKCBQSBE-UHFFFAOYSA-N 0 0 337.448 4.455 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)N[C@H](C)Cc2ccc(C)s2)c1C ZINC000072291990 563909346 /nfs/dbraw/zinc/90/93/46/563909346.db2.gz CXKPIDUGFRNEDO-LLVKDONJSA-N 0 0 345.468 4.076 50 0 EIAARN CN1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000030029041 563909371 /nfs/dbraw/zinc/90/93/71/563909371.db2.gz FPKIEXRTBQQQMG-KRWDZBQOSA-N 0 0 349.261 4.122 50 0 EIAARN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCc2sccc2C1 ZINC000030037803 563909450 /nfs/dbraw/zinc/90/94/50/563909450.db2.gz WNXUAYSOWZDNSC-UHFFFAOYSA-N 0 0 344.823 4.255 50 0 EIAARN COc1ccc2nc(C)c(C(=O)N(C)CC3CCCCC3)cc2c1 ZINC000030791892 563910760 /nfs/dbraw/zinc/91/07/60/563910760.db2.gz UAPLNITVRVUING-UHFFFAOYSA-N 0 0 326.440 4.204 50 0 EIAARN Cc1ccc(/C=C/S(=O)(=O)Nc2cc(Cl)cc(C)c2O)cc1 ZINC000072301047 563912789 /nfs/dbraw/zinc/91/27/89/563912789.db2.gz YZXAIYZIYHJJSL-BQYQJAHWSA-N 0 0 337.828 4.075 50 0 EIAARN Fc1ccccc1Cc1noc(CCCc2c[nH]c3ccccc23)n1 ZINC000032541634 563913940 /nfs/dbraw/zinc/91/39/40/563913940.db2.gz NNZGNOGZAOEKKD-UHFFFAOYSA-N 0 0 335.382 4.456 50 0 EIAARN COc1ccc(CN2C[C@@H](C)OC(C)(C)C2)cc1SC(F)(F)F ZINC000072304870 563914474 /nfs/dbraw/zinc/91/44/74/563914474.db2.gz BKZOBNBDPCOUOU-LLVKDONJSA-N 0 0 349.418 4.306 50 0 EIAARN CCCC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000032961104 563916690 /nfs/dbraw/zinc/91/66/90/563916690.db2.gz FCSXTJFRPJSWMM-UHFFFAOYSA-N 0 0 339.420 4.287 50 0 EIAARN Cc1ccc(F)cc1NC(=O)CSc1cccc2cccnc21 ZINC000000858633 563917694 /nfs/dbraw/zinc/91/76/94/563917694.db2.gz AEAHAJZYVSDVFE-UHFFFAOYSA-N 0 0 326.396 4.413 50 0 EIAARN CC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccc(Br)cc1 ZINC000000613542 563917709 /nfs/dbraw/zinc/91/77/09/563917709.db2.gz IFXKRMGARRVMNT-OAHLLOKOSA-N 0 0 347.212 4.048 50 0 EIAARN O=c1c2ccccc2ncn1CCCOc1c(Cl)cccc1Cl ZINC000002862831 563917740 /nfs/dbraw/zinc/91/77/40/563917740.db2.gz JKIWYMFNKXOQDP-UHFFFAOYSA-N 0 0 349.217 4.172 50 0 EIAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2 ZINC000001196630 563917798 /nfs/dbraw/zinc/91/77/98/563917798.db2.gz XNNGNUAXDMGQCX-UHFFFAOYSA-N 0 0 328.437 4.228 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N(C)C)c2ccccc12 ZINC000001170343 563917804 /nfs/dbraw/zinc/91/78/04/563917804.db2.gz CKKLRDOBTWMHHT-OAHLLOKOSA-N 0 0 334.419 4.312 50 0 EIAARN CC[C@H](C)Nc1ncnc2sc([C@H]3COc4ccccc4O3)cc21 ZINC000006489583 563919231 /nfs/dbraw/zinc/91/92/31/563919231.db2.gz GBMPWKUUQPHOGO-XHDPSFHLSA-N 0 0 341.436 4.414 50 0 EIAARN CC[C@H](C(=O)N(CC)Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000032978471 563920540 /nfs/dbraw/zinc/92/05/40/563920540.db2.gz PDOKFOFSPWBKFE-SFHVURJKSA-N 0 0 339.435 4.000 50 0 EIAARN C[C@@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2Cl)no1 ZINC000013494850 563920706 /nfs/dbraw/zinc/92/07/06/563920706.db2.gz INAMBEWGYJGZAZ-SNVBAGLBSA-N 0 0 345.761 4.020 50 0 EIAARN CCCNC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OC)c2c1 ZINC000032986776 563920720 /nfs/dbraw/zinc/92/07/20/563920720.db2.gz UPDDLPFMBTVRJL-UHFFFAOYSA-N 0 0 334.419 4.359 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000013494952 563920867 /nfs/dbraw/zinc/92/08/67/563920867.db2.gz SQDPXVGFRWFMAE-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN COc1ccc([C@H](C)N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)cc1 ZINC000071796264 563921777 /nfs/dbraw/zinc/92/17/77/563921777.db2.gz RYLCNMFQNKUXCQ-ZDUSSCGKSA-N 0 0 338.407 4.018 50 0 EIAARN Cc1cc(C(=O)NCc2ccc(-c3nc(C(C)C)cs3)cc2)no1 ZINC000097938150 563922846 /nfs/dbraw/zinc/92/28/46/563922846.db2.gz HTTIKSPUJMAWLG-UHFFFAOYSA-N 0 0 341.436 4.160 50 0 EIAARN COc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000044676318 563926502 /nfs/dbraw/zinc/92/65/02/563926502.db2.gz LGMXVXBDNJPTBQ-UHFFFAOYSA-N 0 0 325.290 4.061 50 0 EIAARN O=C(NCc1cc(C(F)(F)F)ccn1)c1c(Cl)cccc1Cl ZINC000261495038 563926605 /nfs/dbraw/zinc/92/66/05/563926605.db2.gz VEQRKFPNIAWQFX-UHFFFAOYSA-N 0 0 349.139 4.337 50 0 EIAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000033020514 563929006 /nfs/dbraw/zinc/92/90/06/563929006.db2.gz DRUJLDPOIKATHO-UHFFFAOYSA-N 0 0 345.402 4.204 50 0 EIAARN CC(C)OC(=O)O[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000072312931 563929413 /nfs/dbraw/zinc/92/94/13/563929413.db2.gz AEQIXAPTDLKUDO-JTQLQIEISA-N 0 0 347.396 4.218 50 0 EIAARN COCCN(C(=S)Nc1c(C)cccc1C)[C@H](C)c1ccco1 ZINC000013543373 563929854 /nfs/dbraw/zinc/92/98/54/563929854.db2.gz CPZDOUZIIVENRN-OAHLLOKOSA-N 0 0 332.469 4.303 50 0 EIAARN Cc1nn(C)cc1-c1ccnc(N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000048066926 563929906 /nfs/dbraw/zinc/92/99/06/563929906.db2.gz NLPGZFFTXNVOBZ-NSHDSACASA-N 0 0 327.819 4.012 50 0 EIAARN O=C1NC(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 ZINC000013560373 563930219 /nfs/dbraw/zinc/93/02/19/563930219.db2.gz XKNSKYLKHDXQLT-GHXNOFRVSA-N 0 0 339.294 4.289 50 0 EIAARN O=C(C1CCCCCC1)N1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000048436186 563930461 /nfs/dbraw/zinc/93/04/61/563930461.db2.gz PPTJHUOBYICBMN-UHFFFAOYSA-N 0 0 344.503 4.070 50 0 EIAARN C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1nc2ccccc2[nH]1 ZINC000046322315 563930497 /nfs/dbraw/zinc/93/04/97/563930497.db2.gz XFFCYCZGLKQUBU-JTQLQIEISA-N 0 0 338.798 4.189 50 0 EIAARN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1coc(C2CCCCC2)n1 ZINC000328711281 563930656 /nfs/dbraw/zinc/93/06/56/563930656.db2.gz BCYPSQIRDDRPCI-AWEZNQCLSA-N 0 0 342.439 4.131 50 0 EIAARN C[C@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)c1ccccc1F ZINC000060338156 563931500 /nfs/dbraw/zinc/93/15/00/563931500.db2.gz JPPOOSMAOZGYAP-CQSZACIVSA-N 0 0 331.406 4.237 50 0 EIAARN O=C(Nc1nc2ccccc2s1)c1noc2c1COc1ccccc1-2 ZINC000033028782 563931637 /nfs/dbraw/zinc/93/16/37/563931637.db2.gz DXBHDQDLKJQUMA-UHFFFAOYSA-N 0 0 349.371 4.096 50 0 EIAARN CCC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 ZINC000071914746 563932444 /nfs/dbraw/zinc/93/24/44/563932444.db2.gz PKZQXXCMJJSJGF-UHFFFAOYSA-N 0 0 336.391 4.054 50 0 EIAARN O=[S@@](Cc1cc(-c2ccccc2)on1)Cc1ccc(Cl)cc1 ZINC000057991578 563936271 /nfs/dbraw/zinc/93/62/71/563936271.db2.gz KEFMNRASUGSEHF-QFIPXVFZSA-N 0 0 331.824 4.444 50 0 EIAARN CC(C)N(C(=O)CN1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000058023360 563936840 /nfs/dbraw/zinc/93/68/40/563936840.db2.gz SKSVJXIVWWXCBN-FQEVSTJZSA-N 0 0 340.442 4.404 50 0 EIAARN O=C(NCc1ccccc1Cl)c1ccnc(Oc2ccccc2)c1 ZINC000058158602 563938175 /nfs/dbraw/zinc/93/81/75/563938175.db2.gz DHNSRLOCSOCLFI-UHFFFAOYSA-N 0 0 338.794 4.457 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)CN1CC=C(c2ccccc2)CC1 ZINC000058160543 563938302 /nfs/dbraw/zinc/93/83/02/563938302.db2.gz DVOWUGHVNPBJCX-UHFFFAOYSA-N 0 0 330.431 4.448 50 0 EIAARN CN1C(=O)N(c2ccccc2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000058201571 563939667 /nfs/dbraw/zinc/93/96/67/563939667.db2.gz DFCBZKAJXIFKDK-CQSZACIVSA-N 0 0 335.190 4.133 50 0 EIAARN CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000058228956 563940492 /nfs/dbraw/zinc/94/04/92/563940492.db2.gz JZISWCQMNCYKPQ-HXUWFJFHSA-N 0 0 339.435 4.087 50 0 EIAARN C[C@@H]1CCN(C(=O)CNc2cc(F)cc(F)c2)c2ccccc2S1 ZINC000058324653 563942532 /nfs/dbraw/zinc/94/25/32/563942532.db2.gz XJOVFSKUAWLFTN-GFCCVEGCSA-N 0 0 348.418 4.294 50 0 EIAARN O=C(Nc1cccc(-c2cnco2)c1)c1ccc(-c2cnco2)cc1 ZINC000058356643 563943477 /nfs/dbraw/zinc/94/34/77/563943477.db2.gz VBHKWXNXBKLNFF-UHFFFAOYSA-N 0 0 331.331 4.249 50 0 EIAARN FC(F)(F)c1cnc(NC[C@@H]2COc3ccccc3O2)c(Cl)c1 ZINC000058358212 563943690 /nfs/dbraw/zinc/94/36/90/563943690.db2.gz BQWJZCKPIYZUPD-SNVBAGLBSA-N 0 0 344.720 4.006 50 0 EIAARN Cc1noc([C@@H](C)Nc2ccc(OCc3ccccn3)c(Cl)c2)n1 ZINC000058367113 563943851 /nfs/dbraw/zinc/94/38/51/563943851.db2.gz ZSPIQSKHTWPUPJ-LLVKDONJSA-N 0 0 344.802 4.179 50 0 EIAARN Cc1cccc(NC(=O)N2CCC[C@@H]2CN(C)c2ccccc2)c1C ZINC000058379540 563944341 /nfs/dbraw/zinc/94/43/41/563944341.db2.gz WKJMEWIQFRWMIJ-LJQANCHMSA-N 0 0 337.467 4.436 50 0 EIAARN C[C@H](C(=O)Nc1ccc(F)cc1)n1c(-c2cccs2)n[nH]c1=S ZINC000058380307 563944348 /nfs/dbraw/zinc/94/43/48/563944348.db2.gz JOUIYWKKRIHRBX-SECBINFHSA-N 0 0 348.428 4.008 50 0 EIAARN COc1ccc(CCNC(=O)c2cc3c(ccc4ccccc34)[nH]2)cc1 ZINC000058391714 563944518 /nfs/dbraw/zinc/94/45/18/563944518.db2.gz LENBUSPBLSLHMT-UHFFFAOYSA-N 0 0 344.414 4.302 50 0 EIAARN COc1c(CN[C@H](C)c2cc3ccccc3o2)c(C(C)C)nn1C ZINC000058392181 563944646 /nfs/dbraw/zinc/94/46/46/563944646.db2.gz MHJSINZVTIVHKP-CYBMUJFWSA-N 0 0 327.428 4.149 50 0 EIAARN CC[C@@H](C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 ZINC000058412829 563945334 /nfs/dbraw/zinc/94/53/34/563945334.db2.gz VVGVNWDKCJRHEI-CYBMUJFWSA-N 0 0 329.450 4.399 50 0 EIAARN CCc1nnc([C@@H]2Cc3ccccc3CN2c2nc3ccccc3o2)o1 ZINC000058433932 563946376 /nfs/dbraw/zinc/94/63/76/563946376.db2.gz IOOFNLOFBIEQAX-INIZCTEOSA-N 0 0 346.390 4.077 50 0 EIAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc2onc(C)c2c1 ZINC000058924423 563947402 /nfs/dbraw/zinc/94/74/02/563947402.db2.gz MAFGBGBKQOLHHM-MJGOQNOKSA-N 0 0 349.434 4.330 50 0 EIAARN CC(C)CNC(=O)CN([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000059985172 563949533 /nfs/dbraw/zinc/94/95/33/563949533.db2.gz UDHLXOQQLOYBQM-ZDUSSCGKSA-N 0 0 342.405 4.003 50 0 EIAARN CC[C@@H](c1ccncc1)N(C)C(=O)NCc1cccc(OC(C)C)c1 ZINC000096415245 563951193 /nfs/dbraw/zinc/95/11/93/563951193.db2.gz KTNVSPPOVJQUFW-IBGZPJMESA-N 0 0 341.455 4.162 50 0 EIAARN CC[C@@H]1CN(CC(=O)Nc2ccc(C)cc2)c2ccccc2S1 ZINC000033059359 563951784 /nfs/dbraw/zinc/95/17/84/563951784.db2.gz IJMSZIAXEUGWDM-MRXNPFEDSA-N 0 0 326.465 4.324 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000096435277 563952400 /nfs/dbraw/zinc/95/24/00/563952400.db2.gz DHIZKVGETNDNRY-UHFFFAOYSA-N 0 0 331.416 4.051 50 0 EIAARN C[C@@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1ncc(C(C)(C)C)o1 ZINC000096447849 563953494 /nfs/dbraw/zinc/95/34/94/563953494.db2.gz CZTQFBHLYSMYAR-GFCCVEGCSA-N 0 0 342.443 4.429 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000096461422 563954057 /nfs/dbraw/zinc/95/40/57/563954057.db2.gz VQMAMVDNFOAMED-PBHICJAKSA-N 0 0 338.411 4.065 50 0 EIAARN Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](CCO)C3)cc2)c1 ZINC000096462383 563954187 /nfs/dbraw/zinc/95/41/87/563954187.db2.gz IPNLSXVBGFZXAI-INIZCTEOSA-N 0 0 340.423 4.024 50 0 EIAARN COc1ccc(C)c(NC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000096470996 563954542 /nfs/dbraw/zinc/95/45/42/563954542.db2.gz INQVCCBEEVPGCA-GUYCJALGSA-N 0 0 346.452 4.059 50 0 EIAARN Cc1ccccc1-c1nc(C[S@](=O)[C@H](C)c2ccc(F)cc2)no1 ZINC000096471500 563954685 /nfs/dbraw/zinc/95/46/85/563954685.db2.gz CVISHJYCBKGXMF-YEBMWUKDSA-N 0 0 344.411 4.194 50 0 EIAARN CC(C)CNC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000033062469 563955152 /nfs/dbraw/zinc/95/51/52/563955152.db2.gz AVCTWMZFLYBSTN-SFHVURJKSA-N 0 0 335.451 4.255 50 0 EIAARN Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1nccn1CC(C)C ZINC000096478394 563955165 /nfs/dbraw/zinc/95/51/65/563955165.db2.gz QEFSTKPUHYLQAH-ZDUSSCGKSA-N 0 0 334.533 4.452 50 0 EIAARN COc1ccc(OC)c(CN2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000064667132 563957023 /nfs/dbraw/zinc/95/70/23/563957023.db2.gz XFVCBPLWJSOJTP-QGZVFWFLSA-N 0 0 330.428 4.152 50 0 EIAARN CSc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000065331110 563958077 /nfs/dbraw/zinc/95/80/77/563958077.db2.gz WXOINJPPKODSPA-INIZCTEOSA-N 0 0 335.432 4.068 50 0 EIAARN COc1ccccc1NC(=O)Nc1ccc(Nc2ccc(C)nn2)cc1 ZINC000065362344 563958190 /nfs/dbraw/zinc/95/81/90/563958190.db2.gz LIYWJVQWKPEMAQ-UHFFFAOYSA-N 0 0 349.394 4.181 50 0 EIAARN CCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccc(C)c(F)c1 ZINC000065384144 563959116 /nfs/dbraw/zinc/95/91/16/563959116.db2.gz FOABOTLQKBUHEG-HNNXBMFYSA-N 0 0 342.370 4.177 50 0 EIAARN O[C@H](Cn1cnc(-c2ccccc2)c1-c1ccncc1)c1ccccc1 ZINC000065488574 563961532 /nfs/dbraw/zinc/96/15/32/563961532.db2.gz IXMOBZJKTCZTGA-HXUWFJFHSA-N 0 0 341.414 4.346 50 0 EIAARN Cc1nc(-c2ccc(C(=O)Nc3ccc(C)cc3Cl)cc2)no1 ZINC000033077059 563963411 /nfs/dbraw/zinc/96/34/11/563963411.db2.gz SXMHRDOFCHYKSS-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN O=C(NC[C@@H]1Cc2ccccc2O1)c1ccccc1Cc1ccccc1 ZINC000033117427 563963577 /nfs/dbraw/zinc/96/35/77/563963577.db2.gz APBXWKJYYIALJK-FQEVSTJZSA-N 0 0 343.426 4.011 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)c3cc4c(s3)CCC4)c2)n1 ZINC000033125113 563963640 /nfs/dbraw/zinc/96/36/40/563963640.db2.gz NVZRTNIAMZKOJG-UHFFFAOYSA-N 0 0 335.432 4.255 50 0 EIAARN CCCNC(=O)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130413 563963692 /nfs/dbraw/zinc/96/36/92/563963692.db2.gz VRFXARNSKYKDLT-UHFFFAOYSA-N 0 0 333.391 4.076 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000299742798 563963732 /nfs/dbraw/zinc/96/37/32/563963732.db2.gz KLZJDTDTUOAAAF-GLQYFDAESA-N 0 0 348.493 4.089 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000033149219 563963994 /nfs/dbraw/zinc/96/39/94/563963994.db2.gz MLKGPQBHRPGRRK-UHFFFAOYSA-N 0 0 349.434 4.431 50 0 EIAARN COc1ccccc1CCNc1nc(C(F)(F)F)nc2ccccc21 ZINC000071195428 563964061 /nfs/dbraw/zinc/96/40/61/563964061.db2.gz GYHVSZLZLSEAMT-UHFFFAOYSA-N 0 0 347.340 4.312 50 0 EIAARN COCc1nn2c(nccc2-c2ccc(F)cc2)c1-c1ccccc1 ZINC000071376055 563964213 /nfs/dbraw/zinc/96/42/13/563964213.db2.gz VUEGHIVNAUNKJW-UHFFFAOYSA-N 0 0 333.366 4.349 50 0 EIAARN C[C@@]1(O)CCN(c2nc3ccccc3s2)C[C@@H]1Cc1ccccc1 ZINC000071439392 563964424 /nfs/dbraw/zinc/96/44/24/563964424.db2.gz WVWDADGROHIBSD-OXJNMPFZSA-N 0 0 338.476 4.116 50 0 EIAARN C[C@H](c1cccs1)n1ccnc1-c1ccccc1Cn1cccn1 ZINC000071721672 563964850 /nfs/dbraw/zinc/96/48/50/563964850.db2.gz RWXNFYFXCKULEH-OAHLLOKOSA-N 0 0 334.448 4.466 50 0 EIAARN Cc1cc(C)n(C[C@H](C)n2ccnc2-c2coc(-c3ccccc3)n2)n1 ZINC000071751221 563965125 /nfs/dbraw/zinc/96/51/25/563965125.db2.gz ZKVPVLCBJUKQHS-INIZCTEOSA-N 0 0 347.422 4.280 50 0 EIAARN O=C(CCCc1ccc(Cl)cc1)N1CCC2(CCOCC2)CC1 ZINC000071754316 563965212 /nfs/dbraw/zinc/96/52/12/563965212.db2.gz ZMIANOOSZIIOGV-UHFFFAOYSA-N 0 0 335.875 4.082 50 0 EIAARN Cn1cc(C(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000071769942 563965606 /nfs/dbraw/zinc/96/56/06/563965606.db2.gz YZDCGMSJMHFQAQ-UHFFFAOYSA-N 0 0 341.410 4.297 50 0 EIAARN Cc1cc(C)n2cc(CN(C)Cc3ccc4ccccc4c3)nc2n1 ZINC000060557463 563965864 /nfs/dbraw/zinc/96/58/64/563965864.db2.gz ODHHIIUGTFWLQU-UHFFFAOYSA-N 0 0 330.435 4.131 50 0 EIAARN Cc1nc(-c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)no1 ZINC000033254184 563966125 /nfs/dbraw/zinc/96/61/25/563966125.db2.gz BIFCGYIXRDBCRX-UHFFFAOYSA-N 0 0 333.391 4.176 50 0 EIAARN COc1ccccc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000033255371 563966130 /nfs/dbraw/zinc/96/61/30/563966130.db2.gz JBMWACRQJJJKQB-UHFFFAOYSA-N 0 0 335.407 4.403 50 0 EIAARN CC[C@@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccccc3)n2)c1 ZINC000033257531 563966215 /nfs/dbraw/zinc/96/62/15/563966215.db2.gz HWXVNTFCILUABV-CYBMUJFWSA-N 0 0 336.395 4.324 50 0 EIAARN Cc1nc([C@H](C)N2CCOC(C)(C)C2)oc1-c1ccc(Cl)cc1 ZINC000097016226 563966688 /nfs/dbraw/zinc/96/66/88/563966688.db2.gz XCEWHRYGUZKNOC-ZDUSSCGKSA-N 0 0 334.847 4.475 50 0 EIAARN Cc1nc([C@@H](C)N2CCOC(C)(C)C2)oc1-c1ccc(Cl)cc1 ZINC000097016224 563966733 /nfs/dbraw/zinc/96/67/33/563966733.db2.gz XCEWHRYGUZKNOC-CYBMUJFWSA-N 0 0 334.847 4.475 50 0 EIAARN C[C@H](NCc1ncc(-c2cccs2)o1)c1ccc2c(c1)OCCO2 ZINC000097033010 563966883 /nfs/dbraw/zinc/96/68/83/563966883.db2.gz XDBZIOAHGCTXQG-LBPRGKRZSA-N 0 0 342.420 4.025 50 0 EIAARN Cc1cccc2c1N(C(=O)c1cccc(NC(=O)C(C)C)c1)CCC2 ZINC000075274063 563967146 /nfs/dbraw/zinc/96/71/46/563967146.db2.gz BBCDFPWAZJKTHI-UHFFFAOYSA-N 0 0 336.435 4.183 50 0 EIAARN CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000097098812 563967469 /nfs/dbraw/zinc/96/74/69/563967469.db2.gz DUDVHJXUBHFRCL-XIKOKIGWSA-N 0 0 341.386 4.009 50 0 EIAARN CCC1(CC)Oc2ccc(NC(=O)c3cccc(COC)c3)cc2O1 ZINC000097105199 563967653 /nfs/dbraw/zinc/96/76/53/563967653.db2.gz WYBSOVHCHWALCQ-UHFFFAOYSA-N 0 0 341.407 4.373 50 0 EIAARN CCn1nc(C)c(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c1C ZINC000097100087 563967688 /nfs/dbraw/zinc/96/76/88/563967688.db2.gz WJJUUKOXQMUJKJ-BLLLJJGKSA-N 0 0 344.459 4.426 50 0 EIAARN CC1(CNc2cccc(C[S@](=O)C3CCCCC3)c2)CCOCC1 ZINC000097113517 563967934 /nfs/dbraw/zinc/96/79/34/563967934.db2.gz UZRQLORSCBPYGD-XMMPIXPASA-N 0 0 349.540 4.497 50 0 EIAARN Cc1ccccc1SC1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000077319097 563968940 /nfs/dbraw/zinc/96/89/40/563968940.db2.gz LCFWDJNSZKBGQL-UHFFFAOYSA-N 0 0 348.418 4.065 50 0 EIAARN CC(C)c1nc(CN(C)Cc2ccc3cccc(Cl)c3n2)no1 ZINC000077339642 563969037 /nfs/dbraw/zinc/96/90/37/563969037.db2.gz QGWHUPCNZCNCMF-UHFFFAOYSA-N 0 0 330.819 4.027 50 0 EIAARN CN(C(=O)c1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC000077390522 563969365 /nfs/dbraw/zinc/96/93/65/563969365.db2.gz XERNQPRPGOCWFF-HXUWFJFHSA-N 0 0 331.419 4.226 50 0 EIAARN CSc1ccccc1C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000077425753 563969645 /nfs/dbraw/zinc/96/96/45/563969645.db2.gz XQOOQIITCWYEFH-UHFFFAOYSA-N 0 0 345.439 4.231 50 0 EIAARN COc1cccc([C@H]2CCCN2C(=O)c2ccccc2SC)c1 ZINC000077457817 563969809 /nfs/dbraw/zinc/96/98/09/563969809.db2.gz WEDIOQFTBQLVAB-QGZVFWFLSA-N 0 0 327.449 4.394 50 0 EIAARN Cc1csc(N2CCC(Nc3cccc(-c4ncco4)c3)CC2)n1 ZINC000097232321 563970771 /nfs/dbraw/zinc/97/07/71/563970771.db2.gz XCZWZMZWANXVCE-UHFFFAOYSA-N 0 0 340.452 4.187 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000245281268 563971872 /nfs/dbraw/zinc/97/18/72/563971872.db2.gz ALCVBCDCPZJHOE-RKVPGOIHSA-N 0 0 349.434 4.116 50 0 EIAARN CCN(Cc1c(F)cccc1Cl)C(=O)c1ccc2nc(C)cn2c1 ZINC000082107678 563972320 /nfs/dbraw/zinc/97/23/20/563972320.db2.gz GGPGVHUSPKVJFF-UHFFFAOYSA-N 0 0 345.805 4.098 50 0 EIAARN Cc1cc(C(=O)N(Cc2cccc(O)c2)C2CC2)c2cccc(C)c2n1 ZINC000082114712 563972404 /nfs/dbraw/zinc/97/24/04/563972404.db2.gz RIESFZVWCIQJKO-UHFFFAOYSA-N 0 0 346.430 4.362 50 0 EIAARN Cc1nc(C2CC2)ncc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000082120556 563972449 /nfs/dbraw/zinc/97/24/49/563972449.db2.gz ZZYSHLJFSULHOA-GOSISDBHSA-N 0 0 339.414 4.169 50 0 EIAARN CCCc1cc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)n(C)n1 ZINC000082156820 563972763 /nfs/dbraw/zinc/97/27/63/563972763.db2.gz XGSMSMJNMKLPKM-OAHLLOKOSA-N 0 0 345.874 4.046 50 0 EIAARN O=C(c1cccc(Cn2cccn2)c1)N1CCCCC[C@@H]1c1ccco1 ZINC000082161555 563972832 /nfs/dbraw/zinc/97/28/32/563972832.db2.gz XDGYFPPRFCNXEA-LJQANCHMSA-N 0 0 349.434 4.282 50 0 EIAARN CCN(CC)c1cc(CNC(=O)Nc2cccc(Cl)c2C)ccn1 ZINC000033280257 563972934 /nfs/dbraw/zinc/97/29/34/563972934.db2.gz OJKZGFQWZNCWLA-UHFFFAOYSA-N 0 0 346.862 4.211 50 0 EIAARN O=C(/C=C\c1cccc2ccccc12)N1CCN(c2ccccc2)CC1 ZINC000033286392 563972939 /nfs/dbraw/zinc/97/29/39/563972939.db2.gz RDQMYPNMNUPZNG-YPKPFQOOSA-N 0 0 342.442 4.202 50 0 EIAARN O=C(NCc1cccc(Cl)c1)c1csc(Nc2ccccc2)n1 ZINC000033280688 563972956 /nfs/dbraw/zinc/97/29/56/563972956.db2.gz PITVGAOEESHHPK-UHFFFAOYSA-N 0 0 343.839 4.470 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)o3)C2)c1 ZINC000033290192 563973069 /nfs/dbraw/zinc/97/30/69/563973069.db2.gz WVKJWNMKVJQALR-GOSISDBHSA-N 0 0 347.418 4.065 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000033290195 563973086 /nfs/dbraw/zinc/97/30/86/563973086.db2.gz SSZNSKYXLRKBSD-SFHVURJKSA-N 0 0 347.418 4.065 50 0 EIAARN O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccncc1F ZINC000126138168 563973336 /nfs/dbraw/zinc/97/33/36/563973336.db2.gz FMEAQIHMMQRMDS-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN CSc1ccccc1C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000085651243 563973861 /nfs/dbraw/zinc/97/38/61/563973861.db2.gz DUSPMESRLGWMFN-UHFFFAOYSA-N 0 0 343.517 4.188 50 0 EIAARN Cc1cccc(C(=O)c2ccccc2CN2CCSCC2)c1C ZINC000085651658 563973881 /nfs/dbraw/zinc/97/38/81/563973881.db2.gz MVKIGSPTBMCJKN-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN O=C(CSc1ccc(F)cc1)NCc1ccc(-c2ccco2)o1 ZINC000585147814 563974074 /nfs/dbraw/zinc/97/40/74/563974074.db2.gz PHCVDDJSAONMFU-UHFFFAOYSA-N 0 0 331.368 4.087 50 0 EIAARN O=C(Cc1csc(COc2ccccc2)n1)Nc1ccccc1F ZINC000033326248 563974097 /nfs/dbraw/zinc/97/40/97/563974097.db2.gz RQIPRZIYDVUHDS-UHFFFAOYSA-N 0 0 342.395 4.042 50 0 EIAARN Cc1ccccc1C1=N/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 ZINC000000085151 563975453 /nfs/dbraw/zinc/97/54/53/563975453.db2.gz DUBOBXZVOSUROP-XNTDXEJSSA-N 0 0 331.293 4.358 50 0 EIAARN S=C1N=C(c2ccc(Br)cc2)C[C@@H](c2ccccc2)N1 ZINC000000086552 563975884 /nfs/dbraw/zinc/97/58/84/563975884.db2.gz KFOQILNOENBZMU-AWEZNQCLSA-N 0 0 345.265 4.009 50 0 EIAARN CO[C@H](c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)c1ccccc1 ZINC000521394005 563976431 /nfs/dbraw/zinc/97/64/31/563976431.db2.gz BCXKBSVPVUFXNU-KSZLIROESA-N 0 0 336.391 4.051 50 0 EIAARN CC(C)(C)OC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000000090178 563976510 /nfs/dbraw/zinc/97/65/10/563976510.db2.gz XNUHFDOBGTVUGT-UHFFFAOYSA-N 0 0 336.482 4.004 50 0 EIAARN C[C@H](NC(=O)OCc1ccccc1)c1ccc(Br)cc1 ZINC000095495748 563976990 /nfs/dbraw/zinc/97/69/90/563976990.db2.gz BVJWRQFRIPSXMB-LBPRGKRZSA-N 0 0 334.213 4.437 50 0 EIAARN COC(OC)c1cc(Br)ccc1OCc1ccccc1 ZINC000095496013 563977018 /nfs/dbraw/zinc/97/70/18/563977018.db2.gz VXVGVYXZKHSEDA-UHFFFAOYSA-N 0 0 337.213 4.320 50 0 EIAARN CCNc1nc(C)c(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)s1 ZINC000095507921 563977196 /nfs/dbraw/zinc/97/71/96/563977196.db2.gz BIXGVBKDAKQOOT-LJQANCHMSA-N 0 0 343.496 4.077 50 0 EIAARN Cc1nn(C)c2nc(N3CCC[C@@H](c4ccccc4)CC3)sc12 ZINC000095509018 563977213 /nfs/dbraw/zinc/97/72/13/563977213.db2.gz IPLMZQCRINFNED-OAHLLOKOSA-N 0 0 326.469 4.112 50 0 EIAARN Cc1c2ccccc2oc1-c1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000095545430 563977580 /nfs/dbraw/zinc/97/75/80/563977580.db2.gz UXYJKRZHUCDGEH-UHFFFAOYSA-N 0 0 335.342 4.058 50 0 EIAARN Cc1nc(C(=O)N(Cc2scnc2C)Cc2ccccc2)cs1 ZINC000096130282 563979330 /nfs/dbraw/zinc/97/93/30/563979330.db2.gz XQHWLQSRVQCYPG-UHFFFAOYSA-N 0 0 343.477 4.059 50 0 EIAARN CC(C)c1nc(CN(C)C(=O)Nc2ccnn2[C@@H](C)C2CC2)cs1 ZINC000096135706 563979425 /nfs/dbraw/zinc/97/94/25/563979425.db2.gz KATCDSXTNAGXQG-LBPRGKRZSA-N 0 0 347.488 4.098 50 0 EIAARN CCc1nc2cc(-c3cccc(C(=O)N4CCC(C)CC4)c3)cnc2[nH]1 ZINC000096138437 563979465 /nfs/dbraw/zinc/97/94/65/563979465.db2.gz RIJBLZLVSFGBLS-UHFFFAOYSA-N 0 0 348.450 4.059 50 0 EIAARN O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccccc1Cl ZINC000096287840 563980708 /nfs/dbraw/zinc/98/07/08/563980708.db2.gz NTXHRJAYPLDINI-BZUAXINKSA-N 0 0 339.822 4.413 50 0 EIAARN O=C(Nc1cccc(NC(=O)C2CC2)c1)NC1CCCCCCC1 ZINC000044103412 563981440 /nfs/dbraw/zinc/98/14/40/563981440.db2.gz YOTYBVAUPKEIIU-UHFFFAOYSA-N 0 0 329.444 4.270 50 0 EIAARN CCCc1noc([C@H](C)NC(=O)c2cc(C)oc2-c2ccccc2)n1 ZINC000097495429 563981601 /nfs/dbraw/zinc/98/16/01/563981601.db2.gz GJCQSRJKOFVASI-ZDUSSCGKSA-N 0 0 339.395 4.082 50 0 EIAARN CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1noc2c1CCCC2 ZINC000097568829 563981688 /nfs/dbraw/zinc/98/16/88/563981688.db2.gz POGWPWHZSHQCRA-SFHVURJKSA-N 0 0 330.428 4.020 50 0 EIAARN CNc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1 ZINC000000102171 563984078 /nfs/dbraw/zinc/98/40/78/563984078.db2.gz HERPEDMXNWUVCO-UHFFFAOYSA-N 0 0 327.391 4.038 50 0 EIAARN Cc1ccc(C)n1-n1c(C)nc2sc(-c3ccccc3)cc2c1=O ZINC000000102517 563984082 /nfs/dbraw/zinc/98/40/82/563984082.db2.gz NTBYDQWJYWLNKC-UHFFFAOYSA-N 0 0 335.432 4.163 50 0 EIAARN Cc1nc(CNC(=O)c2ccc(-c3ccc(C)cc3)nc2C)cs1 ZINC000257173338 563984219 /nfs/dbraw/zinc/98/42/19/563984219.db2.gz KHKHVEOISLFCTA-UHFFFAOYSA-N 0 0 337.448 4.060 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@@](O)(c2c(Cl)cccc2Cl)C1 ZINC000072233783 563986079 /nfs/dbraw/zinc/98/60/79/563986079.db2.gz HYWCYTNRBLVHMJ-INIZCTEOSA-N 0 0 346.254 4.212 50 0 EIAARN Cc1nc(-n2nc(C)c(Cl)c2C)sc1C(=O)Nc1ccccc1 ZINC000014608806 563986133 /nfs/dbraw/zinc/98/61/33/563986133.db2.gz BLMQLXKCTZQVCP-UHFFFAOYSA-N 0 0 346.843 4.160 50 0 EIAARN COc1ccc2oc(=O)c(C(=O)Nc3ccc(C)c(Cl)c3)cc2c1 ZINC000000105737 563986442 /nfs/dbraw/zinc/98/64/42/563986442.db2.gz CWTMDCYRBNEIBU-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN CCOC(=O)c1sc2nc(C)nc(N(C)C3CCCCC3)c2c1C ZINC000000109465 563986550 /nfs/dbraw/zinc/98/65/50/563986550.db2.gz NPQJPULULNSELF-UHFFFAOYSA-N 0 0 347.484 4.254 50 0 EIAARN O=C(Nc1ncnc2sc3c(c21)CCCC3)c1ccccc1Cl ZINC000000112044 563986609 /nfs/dbraw/zinc/98/66/09/563986609.db2.gz CUWWJLSGELEGRM-UHFFFAOYSA-N 0 0 343.839 4.476 50 0 EIAARN CC(=O)c1c(C)n(-c2cc(C)ccc2C)c(=S)nc1N1CCCC1 ZINC000000112137 563986655 /nfs/dbraw/zinc/98/66/55/563986655.db2.gz GBJRJEJKWFJWSA-UHFFFAOYSA-N 0 0 341.480 4.330 50 0 EIAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C)C2 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COC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 ZINC000000227529 564012227 /nfs/dbraw/zinc/01/22/27/564012227.db2.gz QQWJREJKQYXAFQ-UHFFFAOYSA-N 0 0 347.411 4.195 50 0 EIAARN O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(Br)c1 ZINC000000254574 564012290 /nfs/dbraw/zinc/01/22/90/564012290.db2.gz FOYDEIZWMBAZMG-UHFFFAOYSA-N 0 0 334.257 4.004 50 0 EIAARN COc1cc(OC)c(NC(=O)N(C)Cc2ccccc2)cc1Cl ZINC000000400418 564012562 /nfs/dbraw/zinc/01/25/62/564012562.db2.gz GNYYIPMKVVVTBU-UHFFFAOYSA-N 0 0 334.803 4.021 50 0 EIAARN COc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1Cl ZINC000000435920 564012588 /nfs/dbraw/zinc/01/25/88/564012588.db2.gz KBBWWQPXLDIYQK-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCOc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1 ZINC000000451253 564012663 /nfs/dbraw/zinc/01/26/63/564012663.db2.gz LUIZIFLCPBYQFB-LBPRGKRZSA-N 0 0 348.240 4.339 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000000570032 564012822 /nfs/dbraw/zinc/01/28/22/564012822.db2.gz SCSCLHZQJPBNEA-UHFFFAOYSA-N 0 0 347.212 4.050 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1cccs1 ZINC000017909507 564013262 /nfs/dbraw/zinc/01/32/62/564013262.db2.gz UDBXHOHEVBXXLO-SNVBAGLBSA-N 0 0 344.263 4.181 50 0 EIAARN CC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002857893 564013457 /nfs/dbraw/zinc/01/34/57/564013457.db2.gz XVTBNHWAGDUCBL-UHFFFAOYSA-N 0 0 338.285 4.432 50 0 EIAARN O=C1c2ccccc2C(=O)N1CC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000002866323 564013464 /nfs/dbraw/zinc/01/34/64/564013464.db2.gz ZCUIAOVCAOGBLQ-INIZCTEOSA-N 0 0 349.361 4.237 50 0 EIAARN CC(=O)Nc1ccccc1OCc1ccc(Br)cc1F ZINC000007263187 564015467 /nfs/dbraw/zinc/01/54/67/564015467.db2.gz MIYPJSGXBOKGAZ-UHFFFAOYSA-N 0 0 338.176 4.126 50 0 EIAARN FC(F)(F)c1ccc(Br)cc1N1CCC(F)(F)C1 ZINC000169725684 564017189 /nfs/dbraw/zinc/01/71/89/564017189.db2.gz WFPLRSLPNSOASP-UHFFFAOYSA-N 0 0 330.094 4.313 50 0 EIAARN CCOC(=O)[C@H]1CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 ZINC000000492805 564017650 /nfs/dbraw/zinc/01/76/50/564017650.db2.gz LASBQQRIPFOWKP-MRXNPFEDSA-N 0 0 347.455 4.043 50 0 EIAARN Cc1cc(C)n(-c2nc(C)cc(Nc3ccccc3C(F)(F)F)n2)n1 ZINC000000494599 564017883 /nfs/dbraw/zinc/01/78/83/564017883.db2.gz VVPQPQDIJWZNJJ-UHFFFAOYSA-N 0 0 347.344 4.350 50 0 EIAARN CC(=O)c1ccc(OC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000018077052 564017923 /nfs/dbraw/zinc/01/79/23/564017923.db2.gz HCAWVOYIUQWKFS-UHFFFAOYSA-N 0 0 329.402 4.293 50 0 EIAARN COc1ccc([C@H](NC(=O)Cc2ccccc2Cl)C(C)C)cc1 ZINC000018087886 564017961 /nfs/dbraw/zinc/01/79/61/564017961.db2.gz BRHFIQDOCGVRQC-LJQANCHMSA-N 0 0 331.843 4.405 50 0 EIAARN CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccncc2)n1 ZINC000000498709 564018270 /nfs/dbraw/zinc/01/82/70/564018270.db2.gz FARLQTQYTRDJER-UHFFFAOYSA-N 0 0 344.374 4.259 50 0 EIAARN C[C@@H]1CC(C)(C)N(CN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000000499954 564018486 /nfs/dbraw/zinc/01/84/86/564018486.db2.gz MMZJUCRQDYSZSK-CQSZACIVSA-N 0 0 334.419 4.033 50 0 EIAARN COc1ccc2cc(CN(C)C(=O)c3ccc(N(C)C)cc3)ccc2c1 ZINC000018212973 564018845 /nfs/dbraw/zinc/01/88/45/564018845.db2.gz 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/nfs/dbraw/zinc/02/09/53/564020953.db2.gz JEYGQVRMKGSERR-UHFFFAOYSA-N 0 0 333.416 4.404 50 0 EIAARN CCN(CC)C(=O)C[C@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1 ZINC000000520580 564020991 /nfs/dbraw/zinc/02/09/91/564020991.db2.gz KAOXPSMRKDCCFS-CTNGQTDRSA-N 0 0 347.499 4.027 50 0 EIAARN Fc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)cc1 ZINC000000526260 564021216 /nfs/dbraw/zinc/02/12/16/564021216.db2.gz TZKNYNZUQAYZSG-HZPDHXFCSA-N 0 0 328.778 4.217 50 0 EIAARN CC(=O)[C@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000000525489 564021233 /nfs/dbraw/zinc/02/12/33/564021233.db2.gz KUKCACBWHWHYFT-HNNXBMFYSA-N 0 0 336.387 4.049 50 0 EIAARN Cc1c(O[C@H]2CCCCC2=O)ccc2c3c(c(=O)oc12)CCCCC3 ZINC000000531295 564021651 /nfs/dbraw/zinc/02/16/51/564021651.db2.gz CGFFLJKRTWVWGG-IBGZPJMESA-N 0 0 340.419 4.261 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOc2ccccc21 ZINC000014160648 564021664 /nfs/dbraw/zinc/02/16/64/564021664.db2.gz CICVBIDTDSPFQX-IBGZPJMESA-N 0 0 334.419 4.131 50 0 EIAARN CCCn1c2ccccc2nc1NCc1ccc(OC)cc1OC ZINC000000531633 564021681 /nfs/dbraw/zinc/02/16/81/564021681.db2.gz KRQFYKXWDDWRPV-UHFFFAOYSA-N 0 0 325.412 4.076 50 0 EIAARN CCOc1ccc2[nH]c3c(ncnc3N3CCc4ccccc4C3)c2c1 ZINC000000544400 564022627 /nfs/dbraw/zinc/02/26/27/564022627.db2.gz LVQANJPLDBHCHT-UHFFFAOYSA-N 0 0 344.418 4.073 50 0 EIAARN Fc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 ZINC000000546056 564022747 /nfs/dbraw/zinc/02/27/47/564022747.db2.gz JOEFLFBYWXCHIZ-UHFFFAOYSA-N 0 0 330.322 4.368 50 0 EIAARN COc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)C(C)C)cc1 ZINC000000553511 564023094 /nfs/dbraw/zinc/02/30/94/564023094.db2.gz DIXALZSJTKUPDS-IBGZPJMESA-N 0 0 327.424 4.472 50 0 EIAARN CC(C)C(=O)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 ZINC000000560875 564023285 /nfs/dbraw/zinc/02/32/85/564023285.db2.gz YLJGEMXRVKCFAV-UHFFFAOYSA-N 0 0 346.430 4.069 50 0 EIAARN CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000000564445 564023311 /nfs/dbraw/zinc/02/33/11/564023311.db2.gz XRXVCCAYXPNMPO-UHFFFAOYSA-N 0 0 345.446 4.411 50 0 EIAARN O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccccc1Br ZINC000103966825 564023419 /nfs/dbraw/zinc/02/34/19/564023419.db2.gz WXVXMDXSARPDQD-UHFFFAOYSA-N 0 0 342.196 4.092 50 0 EIAARN C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC1CCCCC1 ZINC000018337759 564024180 /nfs/dbraw/zinc/02/41/80/564024180.db2.gz QBVSZOYIRYRMNH-SNVBAGLBSA-N 0 0 332.391 4.030 50 0 EIAARN O=Cc1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12 ZINC000000578835 564024321 /nfs/dbraw/zinc/02/43/21/564024321.db2.gz MGNCUCBNWBFDNM-UHFFFAOYSA-N 0 0 332.172 4.404 50 0 EIAARN CC(C)[C@@H](C)NC(=O)c1cc(N2CCC[C@H](C)C2)nc2ccccc21 ZINC000105072764 564024697 /nfs/dbraw/zinc/02/46/97/564024697.db2.gz QWWNHHRGIOGLFD-JKSUJKDBSA-N 0 0 339.483 4.245 50 0 EIAARN COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1OC ZINC000024593886 564025276 /nfs/dbraw/zinc/02/52/76/564025276.db2.gz MCVLMZIKZCMMSL-UHFFFAOYSA-N 0 0 345.826 4.418 50 0 EIAARN COC(=O)c1c(NCc2ccccc2Cl)onc1-c1ccccc1 ZINC000046914723 564025530 /nfs/dbraw/zinc/02/55/30/564025530.db2.gz UBFWHHOCXSZELU-UHFFFAOYSA-N 0 0 342.782 4.394 50 0 EIAARN COC(=O)c1c(NCc2ccc(C)cc2)onc1-c1ccc(F)cc1 ZINC000046914403 564025583 /nfs/dbraw/zinc/02/55/83/564025583.db2.gz HCZIRTVORFXJRN-UHFFFAOYSA-N 0 0 340.354 4.188 50 0 EIAARN CC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 ZINC000047001697 564025644 /nfs/dbraw/zinc/02/56/44/564025644.db2.gz OGZVZCKDSIILBG-IBGZPJMESA-N 0 0 342.508 4.107 50 0 EIAARN O=C(CCCc1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000047073948 564025669 /nfs/dbraw/zinc/02/56/69/564025669.db2.gz BDTZLPITTXHNDE-UHFFFAOYSA-N 0 0 345.446 4.202 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000110567658 564025705 /nfs/dbraw/zinc/02/57/05/564025705.db2.gz VZVCWHOTAKFGAH-IRFCIJBXSA-N 0 0 346.405 4.230 50 0 EIAARN Cc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)c(Cl)c1 ZINC000047155691 564025780 /nfs/dbraw/zinc/02/57/80/564025780.db2.gz XEEJXRGQCFJIME-LLVKDONJSA-N 0 0 343.814 4.026 50 0 EIAARN O=[S@](CCSC1=Nc2ccccc2CS1)c1ccccc1 ZINC000047222239 564025940 /nfs/dbraw/zinc/02/59/40/564025940.db2.gz LSBWGMOUBSSEFE-NRFANRHFSA-N 0 0 333.503 4.462 50 0 EIAARN CCSc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000002736604 564025962 /nfs/dbraw/zinc/02/59/62/564025962.db2.gz FQSNNYIFXRQJAT-UHFFFAOYSA-N 0 0 334.253 4.209 50 0 EIAARN Cc1ccc(F)c(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c1 ZINC000047327920 564026085 /nfs/dbraw/zinc/02/60/85/564026085.db2.gz UZLIZKNZUDRRGO-UHFFFAOYSA-N 0 0 343.324 4.357 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)C1(c2cccs2)CCCC1 ZINC000012158013 564026339 /nfs/dbraw/zinc/02/63/39/564026339.db2.gz NHFZVYAVKALMKV-UHFFFAOYSA-N 0 0 338.476 4.400 50 0 EIAARN C[C@H](CC(C)(C)c1ccccc1)NC(=O)N(C)Cc1cscn1 ZINC000195177184 564026416 /nfs/dbraw/zinc/02/64/16/564026416.db2.gz UPWHYMMBABGKSI-CQSZACIVSA-N 0 0 331.485 4.041 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@H]1c1ccccc1 ZINC000107493432 564026926 /nfs/dbraw/zinc/02/69/26/564026926.db2.gz XNAKAHJORJMFIG-QKNQBKEWSA-N 0 0 328.415 4.091 50 0 EIAARN COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1OC ZINC000044816092 564027149 /nfs/dbraw/zinc/02/71/49/564027149.db2.gz NMCPXHILOVVYAY-NEPJUHHUSA-N 0 0 331.334 4.011 50 0 EIAARN C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccncc1 ZINC000044869139 564027223 /nfs/dbraw/zinc/02/72/23/564027223.db2.gz RLKGAZOSHFKSGR-CYBMUJFWSA-N 0 0 344.505 4.441 50 0 EIAARN Cc1[nH]c2c(cccc2C(=O)Nc2cccc(N3CCCC3=O)c2)c1C ZINC000044897546 564027593 /nfs/dbraw/zinc/02/75/93/564027593.db2.gz YHPXQOQZAUAEHM-UHFFFAOYSA-N 0 0 347.418 4.164 50 0 EIAARN O=C1CS[C@@H](c2cccc(O)c2)c2cnn(-c3ccccc3)c2N1 ZINC000044900727 564027605 /nfs/dbraw/zinc/02/76/05/564027605.db2.gz SXZPAGFUDRPOBW-KRWDZBQOSA-N 0 0 337.404 4.002 50 0 EIAARN CC[C@@H](C)n1ncc(C(=O)Nc2cccc(-n3ccnc3)c2)c1C1CC1 ZINC000120624520 564027672 /nfs/dbraw/zinc/02/76/72/564027672.db2.gz XQVSXEDJMIXIQZ-CQSZACIVSA-N 0 0 349.438 4.170 50 0 EIAARN O=C(CC[C@H]1CCCO1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000044911845 564027674 /nfs/dbraw/zinc/02/76/74/564027674.db2.gz QSEOCKROMSNGHM-ZBFHGGJFSA-N 0 0 344.480 4.309 50 0 EIAARN C[C@H](CCc1ccccc1)CC(=O)N1c2ccnn2[C@@H](C)C[C@H]1C ZINC000108456749 564028263 /nfs/dbraw/zinc/02/82/63/564028263.db2.gz LDCOVOLPMKTGPD-ZACQAIPSSA-N 0 0 325.456 4.228 50 0 EIAARN O=C(Nc1ccccc1-n1ccnc1)c1cc(F)c(F)cc1Cl ZINC000045859977 564028730 /nfs/dbraw/zinc/02/87/30/564028730.db2.gz MJBAXJFGZAOEBM-UHFFFAOYSA-N 0 0 333.725 4.056 50 0 EIAARN Cc1cccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC2(C)C)c1 ZINC000045933115 564028946 /nfs/dbraw/zinc/02/89/46/564028946.db2.gz XYJQUYPXFGEROU-UHFFFAOYSA-N 0 0 336.460 4.312 50 0 EIAARN O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2)C1c1ccccc1 ZINC000045942778 564028965 /nfs/dbraw/zinc/02/89/65/564028965.db2.gz RDQNOJJAPFSFIO-IBGZPJMESA-N 0 0 331.371 4.332 50 0 EIAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)c(C)c1 ZINC000045967223 564029022 /nfs/dbraw/zinc/02/90/22/564029022.db2.gz CIMAYBFNOIJNMZ-UHFFFAOYSA-N 0 0 335.407 4.124 50 0 EIAARN CCn1c(=O)oc2cc(NC(=O)Nc3cc(Cl)ccc3C)ccc21 ZINC000046010087 564029082 /nfs/dbraw/zinc/02/90/82/564029082.db2.gz BFXCPQOPYSFBFK-UHFFFAOYSA-N 0 0 345.786 4.220 50 0 EIAARN COc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1F ZINC000045989926 564029083 /nfs/dbraw/zinc/02/90/83/564029083.db2.gz SKYASMMKGSLHJL-UHFFFAOYSA-N 0 0 328.318 4.082 50 0 EIAARN Cc1ccc(NC2(c3nnnn3-c3ccccc3C)CCCC2)cc1 ZINC000046078032 564029474 /nfs/dbraw/zinc/02/94/74/564029474.db2.gz WICCGKHYRNITNS-UHFFFAOYSA-N 0 0 333.439 4.161 50 0 EIAARN c1cc([C@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cs1 ZINC000046088208 564029494 /nfs/dbraw/zinc/02/94/94/564029494.db2.gz NSVJYVAYFBQGHJ-MRXNPFEDSA-N 0 0 325.437 4.059 50 0 EIAARN Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)c1 ZINC000046089229 564029569 /nfs/dbraw/zinc/02/95/69/564029569.db2.gz ZNKGGXOXJNGOAM-UHFFFAOYSA-N 0 0 339.395 4.057 50 0 EIAARN CCCNC(=O)c1cccc(Nc2ncc(-c3ccc(C)cc3)cn2)c1 ZINC000046146416 564029638 /nfs/dbraw/zinc/02/96/38/564029638.db2.gz AZMVWRORVIERLU-UHFFFAOYSA-N 0 0 346.434 4.335 50 0 EIAARN C[C@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)c1cccnc1 ZINC000047751553 564029719 /nfs/dbraw/zinc/02/97/19/564029719.db2.gz JWPVSOSGWHQPKB-VIFPVBQESA-N 0 0 334.206 4.361 50 0 EIAARN CCSc1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1 ZINC000047856212 564029759 /nfs/dbraw/zinc/02/97/59/564029759.db2.gz GJOOUYBJHQCPIK-UHFFFAOYSA-N 0 0 346.452 4.138 50 0 EIAARN COc1ccc2cc(CN(C)[C@@H](C)c3nc(C4CC4)no3)ccc2c1 ZINC000048234234 564030088 /nfs/dbraw/zinc/03/00/88/564030088.db2.gz PQTPFLWWVKQXBK-ZDUSSCGKSA-N 0 0 337.423 4.302 50 0 EIAARN Cc1cc(COC(=O)c2c3ccccc3nc3c2CCCCC3)on1 ZINC000048247893 564030211 /nfs/dbraw/zinc/03/02/11/564030211.db2.gz LLXGWOAUYCXKJD-UHFFFAOYSA-N 0 0 336.391 4.157 50 0 EIAARN Cc1noc([C@@H](C)Sc2ncc(-c3ccccc3)n2C2CC2)n1 ZINC000048261269 564030313 /nfs/dbraw/zinc/03/03/13/564030313.db2.gz REQAUZYXPPLULZ-LLVKDONJSA-N 0 0 326.425 4.430 50 0 EIAARN Cc1ccc2nc(C)c(C(=O)N(Cc3cccnc3)C3CC3)cc2c1 ZINC000048290393 564030548 /nfs/dbraw/zinc/03/05/48/564030548.db2.gz OWWIMBXHJKIZCT-UHFFFAOYSA-N 0 0 331.419 4.051 50 0 EIAARN CC(C)OCc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 ZINC000048324594 564030938 /nfs/dbraw/zinc/03/09/38/564030938.db2.gz SXLMSYZMEIVUCZ-UHFFFAOYSA-N 0 0 335.806 4.334 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000048313954 564031045 /nfs/dbraw/zinc/03/10/45/564031045.db2.gz DFEZRERKTNYUPY-KRWDZBQOSA-N 0 0 347.484 4.426 50 0 EIAARN Cc1nc(CNc2nc(-c3ccncc3)nc3ccccc32)cs1 ZINC000048356575 564031373 /nfs/dbraw/zinc/03/13/73/564031373.db2.gz QXZZICSURHOSNG-UHFFFAOYSA-N 0 0 333.420 4.069 50 0 EIAARN CCCCCC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000048374282 564031549 /nfs/dbraw/zinc/03/15/49/564031549.db2.gz ZCELGOZUEVDLTF-UHFFFAOYSA-N 0 0 342.414 4.275 50 0 EIAARN O=C(c1ccccc1Cl)N1CCC(COCc2ccccc2)CC1 ZINC000049028696 564032419 /nfs/dbraw/zinc/03/24/19/564032419.db2.gz MKROPHOUTOXDOR-UHFFFAOYSA-N 0 0 343.854 4.409 50 0 EIAARN O=C(NC1CCC(c2ccccc2)CC1)c1cc(-c2cccnc2)on1 ZINC000049654356 564032838 /nfs/dbraw/zinc/03/28/38/564032838.db2.gz ADBNPDNEZJORTC-UHFFFAOYSA-N 0 0 347.418 4.193 50 0 EIAARN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](C)CC3)c12 ZINC000062927953 564032916 /nfs/dbraw/zinc/03/29/16/564032916.db2.gz KYKRBHSEPINKHY-CYBMUJFWSA-N 0 0 341.455 4.315 50 0 EIAARN Cc1ccc([C@@H]2CCCN2C(=O)Cc2sc(=S)[nH]c2C)s1 ZINC000114707805 564033013 /nfs/dbraw/zinc/03/30/13/564033013.db2.gz QILOOYIIPDQEJA-NSHDSACASA-N 0 0 338.523 4.390 50 0 EIAARN CCCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 ZINC000006591780 564033270 /nfs/dbraw/zinc/03/32/70/564033270.db2.gz JRNNKFBRHIRRNG-UHFFFAOYSA-N 0 0 344.802 4.244 50 0 EIAARN CC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000006745913 564033511 /nfs/dbraw/zinc/03/35/11/564033511.db2.gz VKXLPAALLCLGDC-QGZVFWFLSA-N 0 0 330.815 4.212 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccc(F)cc1 ZINC000006789763 564033532 /nfs/dbraw/zinc/03/35/32/564033532.db2.gz ILNKQOHWQATBTB-DHZHZOJOSA-N 0 0 326.396 4.107 50 0 EIAARN COc1cc(NCCC(=O)c2cccs2)c(OC)cc1Cl ZINC000000732270 564034026 /nfs/dbraw/zinc/03/40/26/564034026.db2.gz BFWINJRRTQLOKE-UHFFFAOYSA-N 0 0 325.817 4.104 50 0 EIAARN O=C1NC2(CCCCC2)[C@@H]2CCCC[C@@]2(O)N1c1ccc(Cl)cc1 ZINC000012322823 564034088 /nfs/dbraw/zinc/03/40/88/564034088.db2.gz XVTCQWXQPXUOLT-LPHOPBHVSA-N 0 0 348.874 4.451 50 0 EIAARN CN(Cc1ccc(F)cc1)C(=S)Nc1ccc(OC(F)F)cc1 ZINC000007585143 564034382 /nfs/dbraw/zinc/03/43/82/564034382.db2.gz OMPXWINVECCEBI-UHFFFAOYSA-N 0 0 340.370 4.256 50 0 EIAARN O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC000008389436 564035581 /nfs/dbraw/zinc/03/55/81/564035581.db2.gz WRAJOVWHKHUZGJ-UHFFFAOYSA-N 0 0 331.730 4.491 50 0 EIAARN O=C(c1c[nH]nc1-c1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000030996818 564035822 /nfs/dbraw/zinc/03/58/22/564035822.db2.gz OGPYOVIGXCMHKN-UHFFFAOYSA-N 0 0 329.403 4.006 50 0 EIAARN COc1ccccc1/C=C/C(=O)Nc1ccc(-c2ccnc(C)n2)cc1 ZINC000032824834 564036227 /nfs/dbraw/zinc/03/62/27/564036227.db2.gz RGGVBSZXZLVTJR-FMIVXFBMSA-N 0 0 345.402 4.113 50 0 EIAARN Cc1cccc(C[C@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)n1 ZINC000221436929 564036236 /nfs/dbraw/zinc/03/62/36/564036236.db2.gz XBLXMEGFFYOKRN-HNNXBMFYSA-N 0 0 336.391 4.136 50 0 EIAARN Cc1ccc(NC(=O)Nc2cc(F)c3[nH]c(=O)ccc3c2)c(Cl)c1 ZINC000033127144 564036455 /nfs/dbraw/zinc/03/64/55/564036455.db2.gz WTPOICCYYNTEKB-UHFFFAOYSA-N 0 0 345.761 4.273 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1csc(Cc2ccccc2)n1 ZINC000033145022 564036483 /nfs/dbraw/zinc/03/64/83/564036483.db2.gz YRSHTQDVLWFVTO-CQSZACIVSA-N 0 0 334.444 4.325 50 0 EIAARN CC(=O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)s1 ZINC000223114019 564038949 /nfs/dbraw/zinc/03/89/49/564038949.db2.gz AADKPVRRQNXWMY-UHFFFAOYSA-N 0 0 345.439 4.332 50 0 EIAARN COc1ccccc1-c1cccc(C(=O)NCc2nccn2C(C)C)c1 ZINC000223361387 564039626 /nfs/dbraw/zinc/03/96/26/564039626.db2.gz NXXXQUDBZSAPPG-UHFFFAOYSA-N 0 0 349.434 4.070 50 0 EIAARN CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc(C)cn1 ZINC000223355038 564039649 /nfs/dbraw/zinc/03/96/49/564039649.db2.gz MATZEGYRQQCJHE-KRWDZBQOSA-N 0 0 328.481 4.199 50 0 EIAARN O=C(NCCCNc1cccnc1)c1cccc(Oc2ccccc2)c1 ZINC000223753028 564040789 /nfs/dbraw/zinc/04/07/89/564040789.db2.gz BPYDHDUNWLVMOR-UHFFFAOYSA-N 0 0 347.418 4.106 50 0 EIAARN C[C@H](Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cccc(F)c1 ZINC000225482811 564047182 /nfs/dbraw/zinc/04/71/82/564047182.db2.gz YQHIKZBNTHNYNS-AWEZNQCLSA-N 0 0 348.849 4.484 50 0 EIAARN O=C(c1coc(C2CCOCC2)n1)N1CCCC2(CCCCC2)CC1 ZINC000225526179 564047555 /nfs/dbraw/zinc/04/75/55/564047555.db2.gz GOBYPPKRZRTRBZ-UHFFFAOYSA-N 0 0 346.471 4.145 50 0 EIAARN CCO[C@@H](c1noc(Cc2csc(CC)n2)n1)c1ccc(C)cc1 ZINC000225600150 564048236 /nfs/dbraw/zinc/04/82/36/564048236.db2.gz DZQHESQMCIQFJQ-QGZVFWFLSA-N 0 0 343.452 4.114 50 0 EIAARN COCC1(Cc2noc([C@H]3C[C@H]3c3c(F)cccc3Cl)n2)CC1 ZINC000225600266 564048251 /nfs/dbraw/zinc/04/82/51/564048251.db2.gz TUEQFEQSUDWWDQ-MNOVXSKESA-N 0 0 336.794 4.102 50 0 EIAARN O=C(c1ccccc1F)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000002685250 564051498 /nfs/dbraw/zinc/05/14/98/564051498.db2.gz KEEBFRVGRORNIZ-UHFFFAOYSA-N 0 0 342.329 4.075 50 0 EIAARN O=C(c1cc(F)cc2cccnc21)N(c1ccccn1)C1CCCC1 ZINC000239882329 564051696 /nfs/dbraw/zinc/05/16/96/564051696.db2.gz DBEUXPCPHCLNAN-UHFFFAOYSA-N 0 0 335.382 4.358 50 0 EIAARN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1nc2ccccc2s1 ZINC000241277692 564051945 /nfs/dbraw/zinc/05/19/45/564051945.db2.gz LIJLJZKPKBZBHI-LLVKDONJSA-N 0 0 343.374 4.491 50 0 EIAARN c1ccc2oc(CCNc3ncnc4c5ccccc5oc43)nc2c1 ZINC000241435119 564052002 /nfs/dbraw/zinc/05/20/02/564052002.db2.gz NKUGTFXVAHABRY-UHFFFAOYSA-N 0 0 330.347 4.172 50 0 EIAARN O=C(c1cccc(Cl)c1Cl)N1CCC(c2nccs2)CC1 ZINC000377509474 564052193 /nfs/dbraw/zinc/05/21/93/564052193.db2.gz FICBDOWLBUCVNP-UHFFFAOYSA-N 0 0 341.263 4.470 50 0 EIAARN COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3ccccc3C)C2)c1 ZINC000252481503 564053351 /nfs/dbraw/zinc/05/33/51/564053351.db2.gz CNEIDPPMHMLPSV-MRXNPFEDSA-N 0 0 339.435 4.032 50 0 EIAARN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000437210907 564053691 /nfs/dbraw/zinc/05/36/91/564053691.db2.gz AQLSBNNENCGICH-ZWKOTPCHSA-N 0 0 348.402 4.026 50 0 EIAARN N#C/C(=C\c1ccc(Cl)o1)C(=O)Nc1nc2ccccc2s1 ZINC000000987454 564053885 /nfs/dbraw/zinc/05/38/85/564053885.db2.gz CAADGSRITGXYDB-VQHVLOKHSA-N 0 0 329.768 4.088 50 0 EIAARN Cc1cccc(OCCCNC(=O)c2ccccc2C(F)(F)F)c1 ZINC000025460861 564054448 /nfs/dbraw/zinc/05/44/48/564054448.db2.gz XTACITXEPMXPDY-UHFFFAOYSA-N 0 0 337.341 4.213 50 0 EIAARN Cc1cccc(O)c1NC(=O)c1cc(Cl)ccc1Br ZINC000183067058 564056451 /nfs/dbraw/zinc/05/64/51/564056451.db2.gz HNHUXJMJPLCQDX-UHFFFAOYSA-N 0 0 340.604 4.369 50 0 EIAARN CCc1cccc(C)c1NC(=O)COC(=O)[C@H](CC)c1ccccc1 ZINC000005836801 564056553 /nfs/dbraw/zinc/05/65/53/564056553.db2.gz YDARBTWNOXKQKP-GOSISDBHSA-N 0 0 339.435 4.233 50 0 EIAARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000005859336 564056664 /nfs/dbraw/zinc/05/66/64/564056664.db2.gz VPUMUROMFJWRAN-UHFFFAOYSA-N 0 0 347.361 4.058 50 0 EIAARN CC(=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1 ZINC000005940134 564057199 /nfs/dbraw/zinc/05/71/99/564057199.db2.gz WQUVGILGSSLFOU-UHFFFAOYSA-N 0 0 332.856 4.072 50 0 EIAARN CCOc1ccc(C=C2SC(=S)NC2=O)cc1Br ZINC000001216308 564057642 /nfs/dbraw/zinc/05/76/42/564057642.db2.gz YYXZQOKQUKOYNO-UXBLZVDNSA-N 0 0 344.255 4.177 50 0 EIAARN CCc1cccc(C)c1NC(=O)CCCOc1ccccc1OC ZINC000001892979 564058062 /nfs/dbraw/zinc/05/80/62/564058062.db2.gz SCMGXOMEBAQCDT-UHFFFAOYSA-N 0 0 327.424 4.364 50 0 EIAARN COc1ccccc1CC(=O)Nc1c2ccccc2nc2c1CCCC2 ZINC000012538788 564058489 /nfs/dbraw/zinc/05/84/89/564058489.db2.gz LMFKDHWHDMCCHS-UHFFFAOYSA-N 0 0 346.430 4.303 50 0 EIAARN CC(=O)N1CCCc2cc(NC(=O)c3cccc4ccccc43)ccc21 ZINC000005373684 564058565 /nfs/dbraw/zinc/05/85/65/564058565.db2.gz HQXOWTFFFGAQPE-UHFFFAOYSA-N 0 0 344.414 4.391 50 0 EIAARN CSc1nc2ccccc2n1CC(=O)Nc1ccccc1SC ZINC000003254753 564058708 /nfs/dbraw/zinc/05/87/08/564058708.db2.gz WLSITSFIQBRCJL-UHFFFAOYSA-N 0 0 343.477 4.119 50 0 EIAARN Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C ZINC000012542547 564058729 /nfs/dbraw/zinc/05/87/29/564058729.db2.gz GCNHCBKSDYYEKE-CYBMUJFWSA-N 0 0 334.366 4.344 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000003279396 564058961 /nfs/dbraw/zinc/05/89/61/564058961.db2.gz FTRKAGJVCXVVRQ-CQSZACIVSA-N 0 0 349.789 4.155 50 0 EIAARN CC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc(Br)cc2)cc1 ZINC000003288030 564059061 /nfs/dbraw/zinc/05/90/61/564059061.db2.gz LFVGIXBPHSDWCT-LBPRGKRZSA-N 0 0 347.208 4.302 50 0 EIAARN CCc1ccc(N[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000012561450 564059602 /nfs/dbraw/zinc/05/96/02/564059602.db2.gz YAVOQSJAHXWYJA-LLVKDONJSA-N 0 0 327.453 4.337 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000003528548 564059921 /nfs/dbraw/zinc/05/99/21/564059921.db2.gz MATABLMYPYDRQD-UHFFFAOYSA-N 0 0 330.384 4.070 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000012582679 564060085 /nfs/dbraw/zinc/06/00/85/564060085.db2.gz VJHROJIUNHRNMD-LBPRGKRZSA-N 0 0 346.390 4.017 50 0 EIAARN Cc1c(Cl)cccc1S(=O)(=O)N(Cc1ccsc1)C1CC1 ZINC000044446697 564060128 /nfs/dbraw/zinc/06/01/28/564060128.db2.gz LBSFCUGPSQVZAI-UHFFFAOYSA-N 0 0 341.885 4.063 50 0 EIAARN Cc1cnc([C@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)s1 ZINC000120919434 564060566 /nfs/dbraw/zinc/06/05/66/564060566.db2.gz QNCWZWJUYKSEOA-SCLBCKFNSA-N 0 0 344.480 4.415 50 0 EIAARN O=C(NCC[C@@H]1CCOC1)c1cccc(-c2ccc3ccccc3n2)c1 ZINC000299774216 564060786 /nfs/dbraw/zinc/06/07/86/564060786.db2.gz CECPEUPWBQOVSR-MRXNPFEDSA-N 0 0 346.430 4.058 50 0 EIAARN Cc1ccc2c(cccc2NC(=O)N[C@H]2COC3(C2)CCCCC3)n1 ZINC000299770163 564060789 /nfs/dbraw/zinc/06/07/89/564060789.db2.gz POZQDAKXKBVVPC-OAHLLOKOSA-N 0 0 339.439 4.157 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cs1 ZINC000012620953 564060908 /nfs/dbraw/zinc/06/09/08/564060908.db2.gz XAJJPKXCRNLSGZ-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN C=C1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000004025774 564061123 /nfs/dbraw/zinc/06/11/23/564061123.db2.gz JKPFAFOFFYRBDB-ORHJNQCKSA-N 0 0 342.479 4.005 50 0 biogenic EIAARN C[C@@H](O)c1cccc(-c2cccc(C(=O)N3CCCCCCC3)c2)n1 ZINC000534651056 564061416 /nfs/dbraw/zinc/06/14/16/564061416.db2.gz IRVRVZNNHWBBQV-MRXNPFEDSA-N 0 0 338.451 4.208 50 0 EIAARN C[C@@H](c1ccc(-c2ccc(C(F)(F)F)cn2)cc1)N1CCOCC1 ZINC000534676851 564061643 /nfs/dbraw/zinc/06/16/43/564061643.db2.gz AXXBNDRZTBMDNH-ZDUSSCGKSA-N 0 0 336.357 4.161 50 0 EIAARN O=C(COc1ccc(F)cc1Cl)Nc1cnc2ccccc2c1 ZINC000012644950 564062055 /nfs/dbraw/zinc/06/20/55/564062055.db2.gz GIJAXJMMCISPEA-UHFFFAOYSA-N 0 0 330.746 4.045 50 0 EIAARN Cc1cc(SCC(=O)NCc2ccc(F)cc2)nc2ccccc12 ZINC000012648460 564062116 /nfs/dbraw/zinc/06/21/16/564062116.db2.gz QHWFMUGDGREZFH-UHFFFAOYSA-N 0 0 340.423 4.091 50 0 EIAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1 ZINC000012679714 564062593 /nfs/dbraw/zinc/06/25/93/564062593.db2.gz RFCTZAXSJUEOCI-BXUZGUMPSA-N 0 0 343.452 4.143 50 0 EIAARN Cc1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(C)cc2)OC3)cc1 ZINC000263617521 564062953 /nfs/dbraw/zinc/06/29/53/564062953.db2.gz OEWWWJDBEPJWHU-FQEVSTJZSA-N 0 0 347.418 4.024 50 0 EIAARN O=C(Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)c1ccco1 ZINC000001317597 564063120 /nfs/dbraw/zinc/06/31/20/564063120.db2.gz QNRSCNLAOVVPTG-UHFFFAOYSA-N 0 0 332.311 4.272 50 0 EIAARN O=C(Cc1coc2cc3c(cc12)CCC3)OCCOc1ccccc1 ZINC000012693096 564063325 /nfs/dbraw/zinc/06/33/25/564063325.db2.gz RBWNELZFAKSJFQ-UHFFFAOYSA-N 0 0 336.387 4.086 50 0 EIAARN Cc1ocnc1C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000124287442 564063406 /nfs/dbraw/zinc/06/34/06/564063406.db2.gz PMGVPUUALPVCMD-UHFFFAOYSA-N 0 0 347.418 4.040 50 0 EIAARN COc1ccc(-c2cc(COC(=O)CC3CCCCC3)no2)cc1 ZINC000012726316 564063851 /nfs/dbraw/zinc/06/38/51/564063851.db2.gz KJBORROEJAXQLI-UHFFFAOYSA-N 0 0 329.396 4.364 50 0 EIAARN COCc1nc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)cs1 ZINC000083914954 564064578 /nfs/dbraw/zinc/06/45/78/564064578.db2.gz VXMNBJXOQYNEBS-VQIMIIECSA-N 0 0 328.481 4.191 50 0 EIAARN c1ccc(Oc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1 ZINC000001397966 564064778 /nfs/dbraw/zinc/06/47/78/564064778.db2.gz UDWVQQUUWZNCCI-UHFFFAOYSA-N 0 0 326.359 4.393 50 0 EIAARN Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1ccc(F)cc1 ZINC000001396716 564064908 /nfs/dbraw/zinc/06/49/08/564064908.db2.gz KUAUBJPNAXNCRL-UHFFFAOYSA-N 0 0 329.705 4.398 50 0 EIAARN CCCCN(C)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC000012742350 564065431 /nfs/dbraw/zinc/06/54/31/564065431.db2.gz NRYIZJDUHGXOHH-UHFFFAOYSA-N 0 0 341.411 4.280 50 0 EIAARN CCCCN(C)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000012743372 564065552 /nfs/dbraw/zinc/06/55/52/564065552.db2.gz GFWHSYALNMQVSS-UHFFFAOYSA-N 0 0 340.427 4.144 50 0 EIAARN CCn1cc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cn1 ZINC000002806620 564065766 /nfs/dbraw/zinc/06/57/66/564065766.db2.gz OJAWLNYCFYYEOY-OAHLLOKOSA-N 0 0 348.450 4.133 50 0 EIAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000084012019 564065804 /nfs/dbraw/zinc/06/58/04/564065804.db2.gz PNAHIPGIRDHQFD-KBXCAEBGSA-N 0 0 346.519 4.242 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc2n[nH]cc2c1 ZINC000084016843 564065833 /nfs/dbraw/zinc/06/58/33/564065833.db2.gz YRJFEXXCSSYRRC-UHFFFAOYSA-N 0 0 335.386 4.117 50 0 EIAARN Cc1ccc(C(=O)NCCc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000001415145 564065919 /nfs/dbraw/zinc/06/59/19/564065919.db2.gz FUINNXOCQBAVJG-UHFFFAOYSA-N 0 0 336.460 4.399 50 0 EIAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=S)NCc1cccs1 ZINC000084129153 564066842 /nfs/dbraw/zinc/06/68/42/564066842.db2.gz OANJCNLKCXOEIU-AWEZNQCLSA-N 0 0 334.510 4.327 50 0 EIAARN COc1ccc(C(=O)c2oc3ccc(Cl)cc3c2NC(C)=O)cc1 ZINC000001427146 564066843 /nfs/dbraw/zinc/06/68/43/564066843.db2.gz NAZCRUZDQAFCRV-UHFFFAOYSA-N 0 0 343.766 4.284 50 0 EIAARN CN(C(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC000046539905 564066968 /nfs/dbraw/zinc/06/69/68/564066968.db2.gz VJMXLTPZRHSULP-LJQANCHMSA-N 0 0 333.435 4.032 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)CCNC(=O)c1ccsc1 ZINC000012752378 564067130 /nfs/dbraw/zinc/06/71/30/564067130.db2.gz CXJMDTRXORMHBP-ZDUSSCGKSA-N 0 0 330.453 4.020 50 0 EIAARN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000012760493 564067582 /nfs/dbraw/zinc/06/75/82/564067582.db2.gz VZLDGUGQPUVKAQ-KRWDZBQOSA-N 0 0 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ZINC000084774561 564070177 /nfs/dbraw/zinc/07/01/77/564070177.db2.gz WIMQCDORRKWCGN-OAHLLOKOSA-N 0 0 339.464 4.364 50 0 EIAARN CCS[C@H]1CCC[C@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 ZINC000084811952 564070384 /nfs/dbraw/zinc/07/03/84/564070384.db2.gz NYFAUAKPMYCECJ-GJZGRUSLSA-N 0 0 338.521 4.267 50 0 EIAARN CCCc1nc(SC)ncc1C(=O)Nc1ccc(Cl)cc1C ZINC000015681156 564070728 /nfs/dbraw/zinc/07/07/28/564070728.db2.gz XSVLVIQFVXDQSW-UHFFFAOYSA-N 0 0 335.860 4.365 50 0 EIAARN CCOC(=O)c1c(C)oc2nc(C)nc(NCCC3=CCCCC3)c21 ZINC000015727320 564072398 /nfs/dbraw/zinc/07/23/98/564072398.db2.gz VCKIUFUOZNINKM-UHFFFAOYSA-N 0 0 343.427 4.319 50 0 EIAARN Cc1ccccc1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000012808168 564072571 /nfs/dbraw/zinc/07/25/71/564072571.db2.gz MMHVCGRQWMNDCI-CQSZACIVSA-N 0 0 339.464 4.236 50 0 EIAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2cccc(OC(C)C)c2)S1 ZINC000085412205 564072876 /nfs/dbraw/zinc/07/28/76/564072876.db2.gz NPKPWHXPKLHLEM-INIZCTEOSA-N 0 0 345.468 4.431 50 0 EIAARN Cc1cc(S[C@@H](C)C(=O)Nc2cccc(O)c2)nc2ccccc12 ZINC000011907450 564072935 /nfs/dbraw/zinc/07/29/35/564072935.db2.gz IYIDETBFUCKOBN-ZDUSSCGKSA-N 0 0 338.432 4.368 50 0 EIAARN CC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1nccs1 ZINC000011907428 564072947 /nfs/dbraw/zinc/07/29/47/564072947.db2.gz WPIKFUJJCORBAU-CYBMUJFWSA-N 0 0 329.450 4.201 50 0 EIAARN O=C(NCC[C@H](O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000085436547 564073231 /nfs/dbraw/zinc/07/32/31/564073231.db2.gz QKGBZTQEQXWPGP-HNNXBMFYSA-N 0 0 339.222 4.239 50 0 EIAARN CCOc1ccccc1NC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000012819728 564073294 /nfs/dbraw/zinc/07/32/94/564073294.db2.gz AOUMVVVOWFATKF-UHFFFAOYSA-N 0 0 336.391 4.230 50 0 EIAARN C[C@H]1CN(Cc2cc(-c3cccs3)on2)C[C@H](c2ccccc2)O1 ZINC000063581665 564073325 /nfs/dbraw/zinc/07/33/25/564073325.db2.gz LEVAYHYETPBUAI-KBXCAEBGSA-N 0 0 340.448 4.365 50 0 EIAARN C[C@H](CCc1ccccc1)CC(=O)N1c2ccnn2[C@H](C)C[C@H]1C ZINC000063595629 564073338 /nfs/dbraw/zinc/07/33/38/564073338.db2.gz LDCOVOLPMKTGPD-BRWVUGGUSA-N 0 0 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CJWSWVFYPKDMSX-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN Cc1nccc(-c2cccc(NCc3noc(-c4cccs4)n3)c2)n1 ZINC000086199326 564075304 /nfs/dbraw/zinc/07/53/04/564075304.db2.gz BGVFWRRNXHJCTA-UHFFFAOYSA-N 0 0 349.419 4.176 50 0 EIAARN CC[C@@H](CO)Nc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000012855125 564075491 /nfs/dbraw/zinc/07/54/91/564075491.db2.gz KJTKQPSYAQUCHY-LBPRGKRZSA-N 0 0 333.844 4.195 50 0 EIAARN C[C@@H](c1ccccn1)N(C(=O)NCC1(c2ccccc2)CC1)C1CC1 ZINC000086361373 564075552 /nfs/dbraw/zinc/07/55/52/564075552.db2.gz AFZLRXPKKPJBAL-INIZCTEOSA-N 0 0 335.451 4.048 50 0 EIAARN COc1cccc(NC(=O)CSc2nccn2C2CCCCC2)c1 ZINC000015825333 564075622 /nfs/dbraw/zinc/07/56/22/564075622.db2.gz HSYCZNKNMXRKMJ-UHFFFAOYSA-N 0 0 345.468 4.128 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CCc2ccccc21 ZINC000012867478 564075851 /nfs/dbraw/zinc/07/58/51/564075851.db2.gz KDHNYMFAGUGKRQ-HNNXBMFYSA-N 0 0 336.218 4.176 50 0 EIAARN O=C(c1ccccc1)[C@H]1[C@@H](C(=O)c2ccccc2)N1Cc1ccccc1 ZINC000001660061 564076011 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ZINC000012890303 564077541 /nfs/dbraw/zinc/07/75/41/564077541.db2.gz FYYJEXIBDYXMNN-SFHVURJKSA-N 0 0 345.826 4.238 50 0 EIAARN CCc1ccc(-c2ccc(C(=O)N(C)c3ncccc3OC)o2)cc1 ZINC000121298648 564077593 /nfs/dbraw/zinc/07/75/93/564077593.db2.gz HJVYVLZEUOXFPT-UHFFFAOYSA-N 0 0 336.391 4.189 50 0 EIAARN CSc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000012910187 564077882 /nfs/dbraw/zinc/07/78/82/564077882.db2.gz UKWHCOIFVNLANX-UHFFFAOYSA-N 0 0 344.455 4.151 50 0 EIAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000012914748 564078020 /nfs/dbraw/zinc/07/80/20/564078020.db2.gz LYSQVHZZZNXLEL-SECBINFHSA-N 0 0 338.190 4.213 50 0 EIAARN CN(CC(=O)N(C)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000012916402 564078049 /nfs/dbraw/zinc/07/80/49/564078049.db2.gz LXLVIDCOVYMBEC-UHFFFAOYSA-N 0 0 344.458 4.371 50 0 EIAARN CN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH]c2ccccc12 ZINC000012917310 564078082 /nfs/dbraw/zinc/07/80/82/564078082.db2.gz RCSQQBZZHSWTDO-UHFFFAOYSA-N 0 0 326.827 4.413 50 0 EIAARN Cc1nn(C)c2sc(C(=O)N[C@H](C)c3cc4ccccc4o3)cc12 ZINC000012917580 564078125 /nfs/dbraw/zinc/07/81/25/564078125.db2.gz UXGNFCJWWNILMM-LLVKDONJSA-N 0 0 339.420 4.180 50 0 EIAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccnc1 ZINC000012922807 564078417 /nfs/dbraw/zinc/07/84/17/564078417.db2.gz XHSIBASGENZJCV-UHFFFAOYSA-N 0 0 329.812 4.035 50 0 EIAARN Cc1noc(C)c1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000074849455 564079479 /nfs/dbraw/zinc/07/94/79/564079479.db2.gz UNIASEFAFHQWCO-UHFFFAOYSA-N 0 0 334.419 4.130 50 0 EIAARN CN(Cc1ccccc1Br)C(=O)c1cc2ccccc2[nH]1 ZINC000012947403 564079746 /nfs/dbraw/zinc/07/97/46/564079746.db2.gz JEOFAUIJLCQLBM-UHFFFAOYSA-N 0 0 343.224 4.203 50 0 EIAARN S=c1[nH]c(-c2ccccc2)nn1CN1CCC[C@H]1c1ccccc1 ZINC000012947565 564079749 /nfs/dbraw/zinc/07/97/49/564079749.db2.gz WQUQDGXNHQBTLO-KRWDZBQOSA-N 0 0 336.464 4.402 50 0 EIAARN CCCc1nnc(SCC(=O)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000012949554 564079795 /nfs/dbraw/zinc/07/97/95/564079795.db2.gz NGAKLOPSFCRMJN-UHFFFAOYSA-N 0 0 330.240 4.039 50 0 EIAARN CC1CCN(c2ccc(C(=O)N3c4ccccc4CC[C@@H]3C)cn2)CC1 ZINC000075091985 564079888 /nfs/dbraw/zinc/07/98/88/564079888.db2.gz MCUIOVPJIHRCDG-KRWDZBQOSA-N 0 0 349.478 4.299 50 0 EIAARN CCN(C(=O)CCCOC)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000075137858 564080585 /nfs/dbraw/zinc/08/05/85/564080585.db2.gz MBFAAWRVNXVMAB-LJQANCHMSA-N 0 0 346.858 4.100 50 0 EIAARN CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccnn1C1CCCCC1 ZINC000075143821 564080659 /nfs/dbraw/zinc/08/06/59/564080659.db2.gz XUVOUXGZGGFNCQ-KRWDZBQOSA-N 0 0 341.459 4.398 50 0 EIAARN COc1ccc(Cl)cc1C(=O)N1CCC(c2cccs2)CC1 ZINC000075157045 564080893 /nfs/dbraw/zinc/08/08/93/564080893.db2.gz GRZDLEHULSGIQB-UHFFFAOYSA-N 0 0 335.856 4.430 50 0 EIAARN O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC000075165879 564081033 /nfs/dbraw/zinc/08/10/33/564081033.db2.gz CKLXUCIFHRVCAK-HUUCEWRRSA-N 0 0 344.436 4.038 50 0 EIAARN O=C(CN1CCC(c2cccs2)CC1)Nc1cccc(Cl)c1 ZINC000075172432 564081048 /nfs/dbraw/zinc/08/10/48/564081048.db2.gz XABKATXAEHCKSV-UHFFFAOYSA-N 0 0 334.872 4.220 50 0 EIAARN CC1=N/C(=C\c2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)O1 ZINC000075279769 564081436 /nfs/dbraw/zinc/08/14/36/564081436.db2.gz PYWUKXGHWSPXJU-OCKHKDLRSA-N 0 0 332.359 4.063 50 0 EIAARN COC(=O)N(C)[C@@H](c1cccc2ccccc21)[C@H]1CCCCC1=O ZINC000075286131 564081550 /nfs/dbraw/zinc/08/15/50/564081550.db2.gz GHFGJVQXQCUTJI-HKUYNNGSSA-N 0 0 325.408 4.338 50 0 EIAARN COc1ccc2nc(NC(=O)Nc3c(C)noc3C3CC3)sc2c1 ZINC000121746312 564081780 /nfs/dbraw/zinc/08/17/80/564081780.db2.gz OZFLFZUYDGYHOH-UHFFFAOYSA-N 0 0 344.396 4.123 50 0 EIAARN COCCCNC(=O)Nc1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000075352895 564082090 /nfs/dbraw/zinc/08/20/90/564082090.db2.gz POZLTZDTJPAPQL-UHFFFAOYSA-N 0 0 337.423 4.301 50 0 EIAARN CCCNC(=O)Nc1ccccc1C(=O)Nc1cc(C)cc(C)c1 ZINC000075373189 564082234 /nfs/dbraw/zinc/08/22/34/564082234.db2.gz YHZOJMTVWVALCO-UHFFFAOYSA-N 0 0 325.412 4.087 50 0 EIAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccc2ccccc2c1 ZINC000000044900 564082382 /nfs/dbraw/zinc/08/23/82/564082382.db2.gz NZZQJPCPIHOYHC-UHFFFAOYSA-N 0 0 348.789 4.086 50 0 EIAARN O=C(CCc1ccc(F)c(Cl)c1)NCc1cncc(C2CC2)c1 ZINC000575606825 564082400 /nfs/dbraw/zinc/08/24/00/564082400.db2.gz UIWRVZPESPLNLC-UHFFFAOYSA-N 0 0 332.806 4.001 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2ccco2)o1 ZINC000575608042 564082432 /nfs/dbraw/zinc/08/24/32/564082432.db2.gz IFTWRGOASBZLFA-UHFFFAOYSA-N 0 0 331.755 4.132 50 0 EIAARN Cc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 ZINC000575610148 564082534 /nfs/dbraw/zinc/08/25/34/564082534.db2.gz KYDXRTQSTMPOIQ-LJQANCHMSA-N 0 0 337.444 4.187 50 0 EIAARN Cc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 ZINC000575610912 564082589 /nfs/dbraw/zinc/08/25/89/564082589.db2.gz QXIHSPUNPOSPOL-OAHLLOKOSA-N 0 0 343.473 4.248 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2C)c1C ZINC000006215404 564083012 /nfs/dbraw/zinc/08/30/12/564083012.db2.gz VEXZDKVSQFWRJI-UHFFFAOYSA-N 0 0 334.803 4.022 50 0 EIAARN Cc1noc(C)c1CCC(=O)N[C@H](C)Cc1csc2ccccc12 ZINC000575619351 564083788 /nfs/dbraw/zinc/08/37/88/564083788.db2.gz DGHWRWJHENDRRR-GFCCVEGCSA-N 0 0 342.464 4.186 50 0 EIAARN O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 ZINC000006316527 564084553 /nfs/dbraw/zinc/08/45/53/564084553.db2.gz JJRLLMDZAFBAAI-UHFFFAOYSA-N 0 0 339.819 4.159 50 0 EIAARN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCc2ccccc2)o1 ZINC000075437567 564084801 /nfs/dbraw/zinc/08/48/01/564084801.db2.gz KMGYTIUSDMHZNX-UHFFFAOYSA-N 0 0 347.374 4.030 50 0 EIAARN CSc1cccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)c1 ZINC000006772315 564084891 /nfs/dbraw/zinc/08/48/91/564084891.db2.gz HMKUCBHEYNXUPF-UHFFFAOYSA-N 0 0 345.464 4.169 50 0 EIAARN Cc1csc(SCC2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 ZINC000090608135 564084925 /nfs/dbraw/zinc/08/49/25/564084925.db2.gz QCPXTDLSZNKJBB-HNNXBMFYSA-N 0 0 336.526 4.139 50 0 EIAARN O=Cn1nc(-c2cc3ccccc3s2)n(-c2ccccc2)c1=S ZINC000006346736 564085215 /nfs/dbraw/zinc/08/52/15/564085215.db2.gz URHQEDXTFAWOPU-UHFFFAOYSA-N 0 0 337.429 4.323 50 0 EIAARN COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000006416070 564085623 /nfs/dbraw/zinc/08/56/23/564085623.db2.gz QUPFJKGMFDLAHW-UHFFFAOYSA-N 0 0 346.235 4.111 50 0 EIAARN CCCCOc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 ZINC000018213524 564085674 /nfs/dbraw/zinc/08/56/74/564085674.db2.gz POIXPRUCJNVKRG-QZTJIDSGSA-N 0 0 327.424 4.101 50 0 EIAARN O=C(NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCCC2 ZINC000012983100 564085709 /nfs/dbraw/zinc/08/57/09/564085709.db2.gz XCNPSFTZBKBPGB-UHFFFAOYSA-N 0 0 331.362 4.097 50 0 EIAARN CC(C)c1cc(C(=O)NCc2ccccc2)c2cnn(C(C)C)c2n1 ZINC000012988896 564085760 /nfs/dbraw/zinc/08/57/60/564085760.db2.gz XANCCZPTHSSJQC-UHFFFAOYSA-N 0 0 336.439 4.066 50 0 EIAARN Cc1ccc(CNC(=O)N(C)Cc2ccc(Br)cc2)cc1 ZINC000013004937 564086381 /nfs/dbraw/zinc/08/63/81/564086381.db2.gz BBSAOOZITMOZLL-UHFFFAOYSA-N 0 0 347.256 4.099 50 0 EIAARN COc1cccc(CNC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000013010804 564086530 /nfs/dbraw/zinc/08/65/30/564086530.db2.gz FPEYLLKJPYOGIQ-HNNXBMFYSA-N 0 0 334.419 4.409 50 0 EIAARN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)s1 ZINC000013012390 564086756 /nfs/dbraw/zinc/08/67/56/564086756.db2.gz HSWRZUMBPLTJSF-SECBINFHSA-N 0 0 339.363 4.043 50 0 EIAARN CC(C)c1ccc(-c2nc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000013015394 564086787 /nfs/dbraw/zinc/08/67/87/564086787.db2.gz TWVLHMKQKQAIKK-OKILXGFUSA-N 0 0 344.480 4.183 50 0 EIAARN CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000013017469 564086810 /nfs/dbraw/zinc/08/68/10/564086810.db2.gz PUKLZJYNCDERNH-INIZCTEOSA-N 0 0 342.508 4.484 50 0 EIAARN O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccccn1 ZINC000253407324 564087000 /nfs/dbraw/zinc/08/70/00/564087000.db2.gz JSVYGAWZNGSGBN-INIZCTEOSA-N 0 0 325.799 4.155 50 0 EIAARN COc1ccc([C@H](C)NC(=O)c2ccc(-c3ccsc3)nc2)cc1 ZINC000075501973 564087138 /nfs/dbraw/zinc/08/71/38/564087138.db2.gz YYWQJRQADNHVTD-ZDUSSCGKSA-N 0 0 338.432 4.310 50 0 EIAARN COc1ccccc1C=CC=C1SC(Nc2ccccc2)=NC1=O ZINC000007165600 564087207 /nfs/dbraw/zinc/08/72/07/564087207.db2.gz KLKRKDZTDKEAGA-TUNAQHHYSA-N 0 0 336.416 4.334 50 0 EIAARN CCc1ccc(CNC(=O)CCc2conc2-c2ccc(C)cc2)cc1 ZINC000075510215 564087341 /nfs/dbraw/zinc/08/73/41/564087341.db2.gz GRIAZCRFOSRHIN-UHFFFAOYSA-N 0 0 348.446 4.461 50 0 EIAARN CCCc1noc([C@@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000029832862 564087376 /nfs/dbraw/zinc/08/73/76/564087376.db2.gz RTTVCZHJMCFJPQ-ZIAGYGMSSA-N 0 0 340.427 4.104 50 0 EIAARN CCc1ccc(OCCCC(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000001773457 564087494 /nfs/dbraw/zinc/08/74/94/564087494.db2.gz IAJUOKQZYGCTHL-UHFFFAOYSA-N 0 0 333.457 4.022 50 0 EIAARN c1ccc2sc(CSc3nnc4c5ccccc5[nH]c4n3)nc2c1 ZINC000006455276 564087872 /nfs/dbraw/zinc/08/78/72/564087872.db2.gz OMZOFYSWPPKHEA-UHFFFAOYSA-N 0 0 349.444 4.408 50 0 EIAARN CCn1cnc2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)cc21 ZINC000075535443 564087936 /nfs/dbraw/zinc/08/79/36/564087936.db2.gz MRVSNRCGWYRPLF-UHFFFAOYSA-N 0 0 343.390 4.178 50 0 EIAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)[C@@H]1CCCC1=C1CCC[C@H]12 ZINC000239377569 564088107 /nfs/dbraw/zinc/08/81/07/564088107.db2.gz OCGIXRYPQDPEGM-DTTOXWODSA-N 0 0 341.838 4.356 50 0 EIAARN C[C@H](c1ccccn1)N(C(=O)NC[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000241738548 564088400 /nfs/dbraw/zinc/08/84/00/564088400.db2.gz QYLCXFPIMIRXQI-AYBZRNKSSA-N 0 0 335.451 4.120 50 0 EIAARN O=c1[nH]c(CN2CC[C@@H]3CCCC[C@H]3C2)nc2cc(Cl)ccc21 ZINC000242302062 564088500 /nfs/dbraw/zinc/08/85/00/564088500.db2.gz YPFWVAOXGRJEHB-STQMWFEESA-N 0 0 331.847 4.001 50 0 EIAARN Cc1[nH]nc(NC(=O)Cc2ccccc2F)c1-c1cccc(Cl)c1 ZINC000075544493 564088594 /nfs/dbraw/zinc/08/85/94/564088594.db2.gz DNFBHPTTWSFESG-UHFFFAOYSA-N 0 0 343.789 4.359 50 0 EIAARN Fc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1 ZINC000001832227 564088757 /nfs/dbraw/zinc/08/87/57/564088757.db2.gz DOVJBAIGNFCOAK-CQSZACIVSA-N 0 0 345.740 4.257 50 0 EIAARN CCc1cnc(CSCc2cc(Cl)cc3c2OCOC3)o1 ZINC000089289622 564089378 /nfs/dbraw/zinc/08/93/78/564089378.db2.gz QVPULDGOPVQTKJ-UHFFFAOYSA-N 0 0 325.817 4.190 50 0 EIAARN CN(C)c1c(Cl)cccc1NCc1ccc(-n2ccnc2)cc1 ZINC000089322848 564089653 /nfs/dbraw/zinc/08/96/53/564089653.db2.gz ZOOSUSVHHFKHGD-UHFFFAOYSA-N 0 0 326.831 4.204 50 0 EIAARN Cc1coc(-c2cc(NC(=O)N3CCS[C@H](C)CC3)ccc2C)n1 ZINC000192281971 564090045 /nfs/dbraw/zinc/09/00/45/564090045.db2.gz ILLHCTBRIICPSP-CQSZACIVSA-N 0 0 345.468 4.318 50 0 EIAARN O=C(COC(=O)c1cccc2ccccc21)Nc1ccccc1Cl ZINC000001993699 564090415 /nfs/dbraw/zinc/09/04/15/564090415.db2.gz ARWBWENAHQFAFG-UHFFFAOYSA-N 0 0 339.778 4.289 50 0 EIAARN CC(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccc(Cl)cc1)c2=O ZINC000000162670 564090464 /nfs/dbraw/zinc/09/04/64/564090464.db2.gz RHILJJYQHLUIJZ-UHFFFAOYSA-N 0 0 344.750 4.472 50 0 biogenic EIAARN c1ccc2cc(OCc3nnc([C@H]4CC45CCOCC5)o3)ccc2c1 ZINC000521393817 564090864 /nfs/dbraw/zinc/09/08/64/564090864.db2.gz PZZWRCDOQZVBNN-QGZVFWFLSA-N 0 0 336.391 4.086 50 0 EIAARN C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)N(C)c1ccccc1 ZINC000006506342 564091128 /nfs/dbraw/zinc/09/11/28/564091128.db2.gz YYICZWUQUAQBKX-LLVKDONJSA-N 0 0 345.855 4.360 50 0 EIAARN Brc1ccc(OCc2nnc(-c3cccs3)o2)cc1 ZINC000006510338 564091261 /nfs/dbraw/zinc/09/12/61/564091261.db2.gz WZNSWKZSTJDRLX-UHFFFAOYSA-N 0 0 337.198 4.140 50 0 EIAARN Cc1ccc2nc(CSCc3ccc(F)cc3Cl)cc(=O)n2c1 ZINC000006510472 564091301 /nfs/dbraw/zinc/09/13/01/564091301.db2.gz UHXXWKQWPHCOKT-UHFFFAOYSA-N 0 0 348.830 4.229 50 0 EIAARN Cc1cc(Cl)ccc1N1C(=S)N=NC1CCc1ccccc1 ZINC000006527828 564091467 /nfs/dbraw/zinc/09/14/67/564091467.db2.gz BRQREOGYSWLTNS-UHFFFAOYSA-N 0 0 329.856 4.303 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1 ZINC000006540943 564091831 /nfs/dbraw/zinc/09/18/31/564091831.db2.gz IRZLGUQHMKGQGH-CQSZACIVSA-N 0 0 325.408 4.420 50 0 EIAARN CCOc1ccc(NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000006590265 564092420 /nfs/dbraw/zinc/09/24/20/564092420.db2.gz JBZPRDZCKVMAOM-UHFFFAOYSA-N 0 0 329.787 4.401 50 0 EIAARN CCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000064580982 564092494 /nfs/dbraw/zinc/09/24/94/564092494.db2.gz IWVZHLLITXYPPH-UHFFFAOYSA-N 0 0 341.798 4.177 50 0 EIAARN CCc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000064580979 564092516 /nfs/dbraw/zinc/09/25/16/564092516.db2.gz MDWDSQILIUOZMY-UHFFFAOYSA-N 0 0 325.799 4.340 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089529260 564092680 /nfs/dbraw/zinc/09/26/80/564092680.db2.gz OACCLSHGWKLGFO-RTBURBONSA-N 0 0 334.419 4.207 50 0 EIAARN CCn1ncc(CN(C)C(=O)[C@H](c2ccccc2)C2CCCC2)c1C ZINC000426621616 564094259 /nfs/dbraw/zinc/09/42/59/564094259.db2.gz JMNPYBQRHXVWTQ-HXUWFJFHSA-N 0 0 339.483 4.144 50 0 EIAARN CC[C@@H]1Cn2c(C(=O)NCc3cccc(C)c3)cc3cccc(c32)O1 ZINC000064657867 564094801 /nfs/dbraw/zinc/09/48/01/564094801.db2.gz QFAOFLGNTYCHQP-QGZVFWFLSA-N 0 0 334.419 4.051 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000066310896 564094844 /nfs/dbraw/zinc/09/48/44/564094844.db2.gz RRNREZBBGITYMO-QZTJIDSGSA-N 0 0 346.430 4.338 50 0 EIAARN Cc1c(Cl)cccc1-n1ccn2cc(-c3ccccc3)nc2c1=O ZINC000064675352 564095093 /nfs/dbraw/zinc/09/50/93/564095093.db2.gz GNGWVOPBRTYSFT-UHFFFAOYSA-N 0 0 335.794 4.114 50 0 EIAARN Cc1ccc(-c2cn3ccn(-c4cccc(Cl)c4)c(=O)c3n2)cc1C ZINC000064675464 564095130 /nfs/dbraw/zinc/09/51/30/564095130.db2.gz OHZXJMLJGYWCAR-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN CCc1ccc(NC(=O)c2csc(-c3ccc(C)n3C)n2)cc1 ZINC000064676563 564095191 /nfs/dbraw/zinc/09/51/91/564095191.db2.gz CYZZKBKUBBHDLZ-UHFFFAOYSA-N 0 0 325.437 4.272 50 0 EIAARN O=C(COC(=O)c1cc2c(s1)CCCC2)c1c[nH]c2ccccc21 ZINC000006652296 564095397 /nfs/dbraw/zinc/09/53/97/564095397.db2.gz UYEZRVRCZQUPIQ-UHFFFAOYSA-N 0 0 339.416 4.148 50 0 EIAARN CCCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1 ZINC000006654371 564095503 /nfs/dbraw/zinc/09/55/03/564095503.db2.gz GAKXATZEPHAVEE-UHFFFAOYSA-N 0 0 327.815 4.281 50 0 EIAARN O=C(c1ccccc1F)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000006669824 564095724 /nfs/dbraw/zinc/09/57/24/564095724.db2.gz FTBDTRSGLLATCO-UHFFFAOYSA-N 0 0 338.407 4.148 50 0 EIAARN CCOc1cccc2c1Oc1nc(-c3cccc(C)c3)[nH]c(=O)c1C2 ZINC000006748575 564097073 /nfs/dbraw/zinc/09/70/73/564097073.db2.gz HYCTUINRTIYBJR-UHFFFAOYSA-N 0 0 334.375 4.253 50 0 EIAARN Cc1ccc(NC(=O)CSC2CCCC2)c(Br)c1 ZINC000006784797 564097704 /nfs/dbraw/zinc/09/77/04/564097704.db2.gz WAOKCFYMDBIJFH-UHFFFAOYSA-N 0 0 328.275 4.372 50 0 EIAARN O=C(C[C@H]1OCCc2ccccc21)N(c1ccccn1)C1CCCC1 ZINC000154726682 564097989 /nfs/dbraw/zinc/09/79/89/564097989.db2.gz YVAGDCMKDUECPM-LJQANCHMSA-N 0 0 336.435 4.061 50 0 EIAARN Cc1c2c(n(Cc3ccccc3C)c1C(=O)NCC(C)C)CCCC2 ZINC000006801028 564098221 /nfs/dbraw/zinc/09/82/21/564098221.db2.gz BGEVGOHFEGNDRV-UHFFFAOYSA-N 0 0 338.495 4.418 50 0 EIAARN CC[C@@H](C)[NH2+]Cc1c2ccccc2n(Cc2ccccc2)c1C(=O)[O-] ZINC000006803418 564098299 /nfs/dbraw/zinc/09/82/99/564098299.db2.gz JFGGMTYRDBCBOV-OAHLLOKOSA-N 0 0 336.435 4.276 50 0 EIAARN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1OCCC(C)C ZINC000006809370 564098416 /nfs/dbraw/zinc/09/84/16/564098416.db2.gz WTIICHUJENEIEI-UHFFFAOYSA-N 0 0 337.419 4.149 50 0 EIAARN COC(=O)c1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1 ZINC000006809789 564098476 /nfs/dbraw/zinc/09/84/76/564098476.db2.gz DYWUPUBOQFSMFS-UHFFFAOYSA-N 0 0 337.375 4.017 50 0 EIAARN COc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1Cl ZINC000006811214 564098585 /nfs/dbraw/zinc/09/85/85/564098585.db2.gz WSWMFRPDDSOWDG-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN CCOc1ccccc1NC(=O)c1cc(=O)c2cc(C)cc(C)c2o1 ZINC000006811324 564098603 /nfs/dbraw/zinc/09/86/03/564098603.db2.gz DPOSGDGPXFPJNR-UHFFFAOYSA-N 0 0 337.375 4.061 50 0 EIAARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000006814327 564098635 /nfs/dbraw/zinc/09/86/35/564098635.db2.gz ARXOKMAQVAEKII-FQEVSTJZSA-N 0 0 334.394 4.181 50 0 EIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ncccc1C ZINC000006821262 564098863 /nfs/dbraw/zinc/09/88/63/564098863.db2.gz JZHMFIPBECOOQJ-UHFFFAOYSA-N 0 0 345.196 4.459 50 0 EIAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(C)c3)c(C)c2)on1 ZINC000064979703 564098900 /nfs/dbraw/zinc/09/89/00/564098900.db2.gz WIYUOHFNQPMNNS-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN CCN(C(=O)Cc1noc2ccccc21)c1cc(Cl)ccc1OC ZINC000006835812 564099242 /nfs/dbraw/zinc/09/92/42/564099242.db2.gz UDBZTNVYCALIKU-UHFFFAOYSA-N 0 0 344.798 4.085 50 0 EIAARN CCCCC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000006834330 564099253 /nfs/dbraw/zinc/09/92/53/564099253.db2.gz XYZWVJYWYYLEHU-UHFFFAOYSA-N 0 0 325.434 4.098 50 0 EIAARN CC(C)CC(=O)Nc1nnc(SCc2cc(F)ccc2F)s1 ZINC000006834971 564099268 /nfs/dbraw/zinc/09/92/68/564099268.db2.gz JZGZRPHKWKEUNL-UHFFFAOYSA-N 0 0 343.424 4.093 50 0 EIAARN CC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2C)cc1 ZINC000006837232 564099274 /nfs/dbraw/zinc/09/92/74/564099274.db2.gz UEHCRFRYXCRUHV-IBGZPJMESA-N 0 0 340.448 4.040 50 0 EIAARN O=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 ZINC000006840714 564099355 /nfs/dbraw/zinc/09/93/55/564099355.db2.gz UBYVMULAFZKRHL-UHFFFAOYSA-N 0 0 344.370 4.489 50 0 EIAARN CCOc1ccccc1NC(=O)N1C[C@H](C)Oc2ccc(C)cc21 ZINC000006842766 564099468 /nfs/dbraw/zinc/09/94/68/564099468.db2.gz XERFDWGBBRCBKZ-AWEZNQCLSA-N 0 0 326.396 4.213 50 0 EIAARN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCc2ccccc2)n1 ZINC000065010084 564099538 /nfs/dbraw/zinc/09/95/38/564099538.db2.gz IDCBBCGNWZRLIP-UHFFFAOYSA-N 0 0 347.374 4.030 50 0 EIAARN COCCCN1C(=S)N=NC1[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000006851183 564099611 /nfs/dbraw/zinc/09/96/11/564099611.db2.gz WSZNHZDYBHXCHH-ZDUSSCGKSA-N 0 0 349.500 4.041 50 0 EIAARN COC(=O)c1cc(Nc2cccc(C)c2C)c2cccc(OC)c2n1 ZINC000065033646 564099922 /nfs/dbraw/zinc/09/99/22/564099922.db2.gz VECNHKYIUQSTPB-UHFFFAOYSA-N 0 0 336.391 4.390 50 0 EIAARN CC(C)CCNC(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000006868670 564100091 /nfs/dbraw/zinc/10/00/91/564100091.db2.gz QQXMYEDECWGRNA-UHFFFAOYSA-N 0 0 343.446 4.192 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c1 ZINC000169755524 564100167 /nfs/dbraw/zinc/10/01/67/564100167.db2.gz KYYPMCJAUCCVAL-UHFFFAOYSA-N 0 0 346.434 4.151 50 0 EIAARN CCn1cc2c(n1)-c1c(C)c(C(=O)Nc3cccc(C)c3C)oc1CC2 ZINC000006871817 564100187 /nfs/dbraw/zinc/10/01/87/564100187.db2.gz ASAXVLUAUJUNBB-UHFFFAOYSA-N 0 0 349.434 4.439 50 0 EIAARN CC[C@@H](Sc1nc2cccnc2[nH]1)C(=O)Nc1cc(C)ccc1C ZINC000006877757 564100434 /nfs/dbraw/zinc/10/04/34/564100434.db2.gz QUYXBYQRLYGCFT-OAHLLOKOSA-N 0 0 340.452 4.084 50 0 EIAARN O=S(=O)(Nc1cc(F)ccc1F)c1cc(Cl)ccc1Cl ZINC000006888732 564100748 /nfs/dbraw/zinc/10/07/48/564100748.db2.gz YFOZLQIANYAYHB-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN OC1(c2nnc(-c3ccccc3)o2)c2ccccc2-c2ccccc21 ZINC000006890401 564100757 /nfs/dbraw/zinc/10/07/57/564100757.db2.gz LCHBUAACQGQVDL-UHFFFAOYSA-N 0 0 326.355 4.001 50 0 EIAARN O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(Cl)cc1 ZINC000008007051 564100924 /nfs/dbraw/zinc/10/09/24/564100924.db2.gz GECWXEIYWQNYDC-UHFFFAOYSA-N 0 0 348.880 4.384 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(-n3cnc4cccnc43)cc2)c1C ZINC000006900616 564100968 /nfs/dbraw/zinc/10/09/68/564100968.db2.gz ZYPAEVAAOHIBQP-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN C[C@H](N[C@@H](c1nccs1)C1CC1)c1ccc(Br)o1 ZINC000192903536 564101204 /nfs/dbraw/zinc/10/12/04/564101204.db2.gz 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c1ccc(CNc2nnc(-c3nc(C4CC4)no3)c3ccccc32)cc1 ZINC000065258255 564103576 /nfs/dbraw/zinc/10/35/76/564103576.db2.gz XSUHPSYEQMAQMF-UHFFFAOYSA-N 0 0 343.390 4.169 50 0 EIAARN CC[C@@H](c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1)c1ccccc1 ZINC000065259440 564103597 /nfs/dbraw/zinc/10/35/97/564103597.db2.gz XSXZSIJYVMDVFW-SJLPKXTDSA-N 0 0 347.418 4.132 50 0 EIAARN O=C(Cc1cccc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000013137574 564103667 /nfs/dbraw/zinc/10/36/67/564103667.db2.gz JTKOAUUJLAAXFC-UHFFFAOYSA-N 0 0 333.387 4.182 50 0 EIAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)cc1F ZINC000007061126 564104063 /nfs/dbraw/zinc/10/40/63/564104063.db2.gz IITUHHQKCQFNFV-UHFFFAOYSA-N 0 0 334.322 4.480 50 0 EIAARN COc1ccc(NC(=O)c2cc3cn(C4CC4)cc3s2)cc1OC ZINC000065285594 564104321 /nfs/dbraw/zinc/10/43/21/564104321.db2.gz FUPMFKFJQBMZKY-UHFFFAOYSA-N 0 0 342.420 4.307 50 0 EIAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)s1 ZINC000007113379 564104911 /nfs/dbraw/zinc/10/49/11/564104911.db2.gz QLWRSELRBDKPBQ-ZDUSSCGKSA-N 0 0 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/nfs/dbraw/zinc/10/71/63/564107163.db2.gz KRWGGACGYUIXMT-RDTXWAMCSA-N 0 0 347.418 4.132 50 0 EIAARN COc1ccccc1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000007344655 564107273 /nfs/dbraw/zinc/10/72/73/564107273.db2.gz LAUODNJQBGVMBJ-UHFFFAOYSA-N 0 0 331.415 4.467 50 0 EIAARN CN(C(=O)Nc1ccccc1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000065548702 564107363 /nfs/dbraw/zinc/10/73/63/564107363.db2.gz YYDYDAXQJFPBBU-IBGZPJMESA-N 0 0 335.382 4.474 50 0 EIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)CSc1ccc(F)cc1 ZINC000239579001 564107397 /nfs/dbraw/zinc/10/73/97/564107397.db2.gz DDFSNWHMVQWXHZ-ZDUSSCGKSA-N 0 0 343.423 4.411 50 0 EIAARN Oc1cccc2c(NC(=S)NCc3ccc(F)cc3)cccc12 ZINC000007352349 564107413 /nfs/dbraw/zinc/10/74/13/564107413.db2.gz NUYVUFXERAJISC-UHFFFAOYSA-N 0 0 326.396 4.171 50 0 EIAARN O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccc1O ZINC000065552495 564107500 /nfs/dbraw/zinc/10/75/00/564107500.db2.gz BNMCHERZFVPRRO-UHFFFAOYSA-N 0 0 333.387 4.137 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(Cl)c1 ZINC000007402147 564107906 /nfs/dbraw/zinc/10/79/06/564107906.db2.gz LHTYDCOEUMHDQD-UHFFFAOYSA-N 0 0 333.863 4.381 50 0 EIAARN Cc1ccoc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C ZINC000065620654 564108427 /nfs/dbraw/zinc/10/84/27/564108427.db2.gz XCEORCONEHMNPE-CYBMUJFWSA-N 0 0 340.423 4.021 50 0 EIAARN Cc1sc2ncnc(Oc3cccc4c3CCC[C@H]4O)c2c1C ZINC000007467164 564108695 /nfs/dbraw/zinc/10/86/95/564108695.db2.gz OTFPRWSWNGNUEX-CQSZACIVSA-N 0 0 326.421 4.470 50 0 EIAARN CCCCn1c2ccccc2nc1NCc1ccc(OC)cc1OC ZINC000007489098 564108862 /nfs/dbraw/zinc/10/88/62/564108862.db2.gz USKJDHNTPGIVFW-UHFFFAOYSA-N 0 0 339.439 4.466 50 0 EIAARN O=C(NCCC[C@@H]1CCCCO1)Nc1ccccc1-c1ccncc1 ZINC000170595367 564109035 /nfs/dbraw/zinc/10/90/35/564109035.db2.gz VXXBXPCLEKNBLG-KRWDZBQOSA-N 0 0 339.439 4.219 50 0 EIAARN Cc1cc(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)on1 ZINC000170605134 564109619 /nfs/dbraw/zinc/10/96/19/564109619.db2.gz GFMRQIKTVYGTMT-UHFFFAOYSA-N 0 0 326.440 4.132 50 0 EIAARN CC[C@@H](NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1)c1ccncc1 ZINC000170611090 564109776 /nfs/dbraw/zinc/10/97/76/564109776.db2.gz DIWMRKDGQNEQDU-ZIAGYGMSSA-N 0 0 343.393 4.153 50 0 EIAARN Cc1nc2ccc(C(=O)OCc3c(F)cccc3Cl)cc2nc1C ZINC000007557401 564110347 /nfs/dbraw/zinc/11/03/47/564110347.db2.gz SHYQZXRYMDTLSJ-UHFFFAOYSA-N 0 0 344.773 4.396 50 0 EIAARN Cc1ccc2c(c1)[C@@H](NC(=O)N1CCn3cccc3[C@H]1C)CCS2 ZINC000170622308 564110364 /nfs/dbraw/zinc/11/03/64/564110364.db2.gz VQQZRCRMFBIODJ-ZBFHGGJFSA-N 0 0 341.480 4.120 50 0 EIAARN O=C(NCc1ccccc1Sc1ccccc1)c1cscn1 ZINC000170622992 564110365 /nfs/dbraw/zinc/11/03/65/564110365.db2.gz CJOWZBNHIXQPCD-UHFFFAOYSA-N 0 0 326.446 4.224 50 0 EIAARN Fc1cc(Br)ccc1CNc1ncnc2ccccc21 ZINC000170624894 564110394 /nfs/dbraw/zinc/11/03/94/564110394.db2.gz HDBINDKVTNHXNU-UHFFFAOYSA-N 0 0 332.176 4.144 50 0 EIAARN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000170631252 564110676 /nfs/dbraw/zinc/11/06/76/564110676.db2.gz IHNAWVBPGOALLC-RCCFBDPRSA-N 0 0 336.520 4.192 50 0 EIAARN c1coc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)c1 ZINC000007564788 564110698 /nfs/dbraw/zinc/11/06/98/564110698.db2.gz MIMGWYCOFPJBEJ-UHFFFAOYSA-N 0 0 325.349 4.277 50 0 EIAARN c1ccc2nc(Nc3cccc(OCc4cccnc4)c3)cnc2c1 ZINC000071816911 564111193 /nfs/dbraw/zinc/11/11/93/564111193.db2.gz DSIBEDUXXGZXIW-UHFFFAOYSA-N 0 0 328.375 4.347 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000013324903 564111534 /nfs/dbraw/zinc/11/15/34/564111534.db2.gz KBGGSDZGBTUJNA-UHFFFAOYSA-N 0 0 349.887 4.060 50 0 EIAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)NC1CCCCC1 ZINC000013331647 564111618 /nfs/dbraw/zinc/11/16/18/564111618.db2.gz LLNMTIUFMRTSKU-UHFFFAOYSA-N 0 0 340.471 4.311 50 0 EIAARN CCn1c2ccccc2c(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1C(=O)[O-] ZINC000249694322 564111695 /nfs/dbraw/zinc/11/16/95/564111695.db2.gz OYVOOALBGOQSSH-CKEIUWERSA-N 0 0 328.456 4.274 50 0 EIAARN O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1ccccc1 ZINC000014361892 564112421 /nfs/dbraw/zinc/11/24/21/564112421.db2.gz AWAKKUNJEDRERU-INIZCTEOSA-N 0 0 330.225 4.426 50 0 EIAARN COc1ccccc1CCNC(=O)c1ccccc1Oc1ccccc1 ZINC000014603609 564112542 /nfs/dbraw/zinc/11/25/42/564112542.db2.gz SBURPFVFZQACPR-UHFFFAOYSA-N 0 0 347.414 4.460 50 0 EIAARN O=C(NCCCCOc1ccccc1)c1ccc(Br)cc1 ZINC000016699991 564112665 /nfs/dbraw/zinc/11/26/65/564112665.db2.gz QLVRGQVCIRBTTN-UHFFFAOYSA-N 0 0 348.240 4.038 50 0 EIAARN Cc1ccc(O)c(CNc2cccc(Cn3ccnc3C(C)C)c2)n1 ZINC000089626776 564112794 /nfs/dbraw/zinc/11/27/94/564112794.db2.gz HANUNBRJSQSAQX-UHFFFAOYSA-N 0 0 336.439 4.076 50 0 EIAARN Cc1ccc2c(CC(=O)Nc3ccc(N4CCCCC4)cn3)coc2c1 ZINC000089665689 564112989 /nfs/dbraw/zinc/11/29/89/564112989.db2.gz XTOXFRMBEMGLLS-UHFFFAOYSA-N 0 0 349.434 4.308 50 0 EIAARN CC(C)(C)c1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1 ZINC000089694849 564113164 /nfs/dbraw/zinc/11/31/64/564113164.db2.gz KHDYSHKWBGNHSU-UHFFFAOYSA-N 0 0 338.436 4.194 50 0 EIAARN Cc1cccn2cc(COC(=O)c3cc4c(s3)CC[C@H](C)C4)nc12 ZINC000014675999 564113193 /nfs/dbraw/zinc/11/31/93/564113193.db2.gz NLWXVJFCZIMURE-LBPRGKRZSA-N 0 0 340.448 4.186 50 0 EIAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccccc1)cc2C ZINC000016779580 564113319 /nfs/dbraw/zinc/11/33/19/564113319.db2.gz IRPRCAZHMIGCDO-UHFFFAOYSA-N 0 0 343.404 4.053 50 0 EIAARN Cn1ccnc1[C@@H](O)c1ccc(NCc2csc3ccccc23)cc1 ZINC000089761351 564113562 /nfs/dbraw/zinc/11/35/62/564113562.db2.gz BXCCMYFNQIIMCX-IBGZPJMESA-N 0 0 349.459 4.329 50 0 EIAARN CCOc1ccccc1-c1noc(-c2cc(-c3ccccc3)[nH]n2)n1 ZINC000016841732 564113793 /nfs/dbraw/zinc/11/37/93/564113793.db2.gz RYFDZSIRAZLWJF-UHFFFAOYSA-N 0 0 332.363 4.192 50 0 EIAARN c1cn(CCOc2ccccc2NCc2cccc3cccnc32)cn1 ZINC000089814370 564114016 /nfs/dbraw/zinc/11/40/16/564114016.db2.gz KZFSICCPLQELEP-UHFFFAOYSA-N 0 0 344.418 4.122 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccncc1)N[C@@H]1CCCc2occc21 ZINC000089827673 564114077 /nfs/dbraw/zinc/11/40/77/564114077.db2.gz BMNAFHZMYQFYJH-UYAOXDASSA-N 0 0 347.418 4.141 50 0 EIAARN O=[S@@](Cc1cccc(NCc2cscn2)c1)c1ccccc1 ZINC000089847819 564114254 /nfs/dbraw/zinc/11/42/54/564114254.db2.gz YUAGJWKBIKDDKU-JOCHJYFZSA-N 0 0 328.462 4.063 50 0 EIAARN Cc1ccc([C@H]2CCCCN2C(=O)c2cnc3ccccc3n2)cc1 ZINC000076021910 564114593 /nfs/dbraw/zinc/11/45/93/564114593.db2.gz BXJMBZHVXGXOHP-HXUWFJFHSA-N 0 0 331.419 4.306 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)N[C@H](c1nccs1)C1CC1 ZINC000089885078 564114742 /nfs/dbraw/zinc/11/47/42/564114742.db2.gz FEZIHRRZMCPGEU-HNNXBMFYSA-N 0 0 345.472 4.118 50 0 EIAARN C[C@@H](NC(=O)N(C)Cc1ccncc1)c1ccc(-c2cccnc2)cc1 ZINC000089904933 564115060 /nfs/dbraw/zinc/11/50/60/564115060.db2.gz JBXUPOFWUYZNCE-MRXNPFEDSA-N 0 0 346.434 4.046 50 0 EIAARN CC[C@@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1nccs1 ZINC000089948037 564115745 /nfs/dbraw/zinc/11/57/45/564115745.db2.gz JQTBKVZPNMBPCP-MRXNPFEDSA-N 0 0 347.459 4.498 50 0 EIAARN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Cc1ccc[nH]1 ZINC000090063918 564116234 /nfs/dbraw/zinc/11/62/34/564116234.db2.gz GKOWTCASNOAFMS-CQSZACIVSA-N 0 0 339.464 4.209 50 0 EIAARN Cc1ccc(OCCCOc2ccc(Br)cc2C=O)cc1 ZINC000002875441 564117054 /nfs/dbraw/zinc/11/70/54/564117054.db2.gz IRDSONQAUXPKMT-UHFFFAOYSA-N 0 0 349.224 4.418 50 0 EIAARN Cc1cccc(NC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 ZINC000006703580 564117452 /nfs/dbraw/zinc/11/74/52/564117452.db2.gz YYEUPEDKQCHEBN-UHFFFAOYSA-N 0 0 343.390 4.349 50 0 EIAARN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nn1cnc2ccccc21 ZINC000170639219 564117583 /nfs/dbraw/zinc/11/75/83/564117583.db2.gz JMEUODURVRQTSA-HNNXBMFYSA-N 0 0 336.439 4.185 50 0 EIAARN CC(C)Oc1ccccc1/C=C1\N=C(c2cccc(Cl)c2)OC1=O ZINC000002100858 564117615 /nfs/dbraw/zinc/11/76/15/564117615.db2.gz NDSITYBSEGGFAE-WJDWOHSUSA-N 0 0 341.794 4.472 50 0 EIAARN CC(=O)c1cccc(NC(=O)CSc2ccc(F)c(Cl)c2)c1 ZINC000007582659 564117888 /nfs/dbraw/zinc/11/78/88/564117888.db2.gz VHFLVRWTIAXNJF-UHFFFAOYSA-N 0 0 337.803 4.413 50 0 EIAARN COc1cc2c(cc1OC)/C(=C/c1ccc(C(C)C)cc1)C(=O)OC2 ZINC000002112377 564118068 /nfs/dbraw/zinc/11/80/68/564118068.db2.gz ZNIBPUJCPPWAJD-NVMNQCDNSA-N 0 0 338.403 4.425 50 0 biogenic EIAARN CC(C)OCc1cccc(NC(=O)c2ccncc2C(F)(F)F)c1 ZINC000193066567 564118367 /nfs/dbraw/zinc/11/83/67/564118367.db2.gz RSLBUSFKDVZSNS-UHFFFAOYSA-N 0 0 338.329 4.278 50 0 EIAARN CCc1cc(=O)oc2c1ccc1c2CN(c2cc(C)ccc2C)CO1 ZINC000002125245 564118465 /nfs/dbraw/zinc/11/84/65/564118465.db2.gz YCDVRSUMTIOVKN-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN Cc1nc(CC(=O)Nc2ccc(Oc3ccncc3)c(C)c2)cs1 ZINC000193191037 564118824 /nfs/dbraw/zinc/11/88/24/564118824.db2.gz LENHOMCDCDEJJY-UHFFFAOYSA-N 0 0 339.420 4.128 50 0 EIAARN Cc1nc([C@H](C)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 ZINC000252484031 564119266 /nfs/dbraw/zinc/11/92/66/564119266.db2.gz FMMFXSOZIOFIBL-XPTSAGLGSA-N 0 0 325.334 4.199 50 0 EIAARN C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)C1(F)F ZINC000252484223 564119268 /nfs/dbraw/zinc/11/92/68/564119268.db2.gz FSBNXANLCVPOPG-DAXOMENPSA-N 0 0 345.393 4.032 50 0 EIAARN COc1ccc([C@H](CCN(Cc2ccco2)C(C)=O)C(C)C)cc1 ZINC000002145365 564119491 /nfs/dbraw/zinc/11/94/91/564119491.db2.gz PNOJTWNKYMZRDD-HXUWFJFHSA-N 0 0 329.440 4.467 50 0 biogenic EIAARN CC[C@@H](C)n1ncc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1C ZINC000390834061 564120227 /nfs/dbraw/zinc/12/02/27/564120227.db2.gz RCCKKAOZTFNTBG-MRVPVSSYSA-N 0 0 341.242 4.304 50 0 EIAARN CCCc1sc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1CC ZINC000252514063 564120260 /nfs/dbraw/zinc/12/02/60/564120260.db2.gz AZZJZZHWTDAYGW-IAOVAPTHSA-N 0 0 335.513 4.149 50 0 EIAARN C[C@@H]1CC[C@H](Nc2cccc(C[S@](=O)C3CCOCC3)c2)[C@H](C)C1 ZINC000252585093 564120804 /nfs/dbraw/zinc/12/08/04/564120804.db2.gz GAGLPYAGTBOIND-HEKCMURKSA-N 0 0 349.540 4.351 50 0 EIAARN COc1ccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000007652607 564121582 /nfs/dbraw/zinc/12/15/82/564121582.db2.gz VYRULEHSEZCTQY-UHFFFAOYSA-N 0 0 343.814 4.031 50 0 EIAARN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000007657250 564121597 /nfs/dbraw/zinc/12/15/97/564121597.db2.gz OFFYUEMCGVMBPC-RDTXWAMCSA-N 0 0 325.408 4.242 50 0 EIAARN C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000007671750 564121770 /nfs/dbraw/zinc/12/17/70/564121770.db2.gz PNUFLKDIQMPYIN-SNVBAGLBSA-N 0 0 343.295 4.404 50 0 EIAARN COc1ccc(NC(=O)CCn2ccc3ccccc32)c2cccnc12 ZINC000065871000 564121811 /nfs/dbraw/zinc/12/18/11/564121811.db2.gz RLGPZBNEGQXNHP-UHFFFAOYSA-N 0 0 345.402 4.227 50 0 EIAARN CCn1c2ccccc2nc1-c1cc(C(=O)c2cc(C)ccc2O)c[nH]1 ZINC000007714899 564122181 /nfs/dbraw/zinc/12/21/81/564122181.db2.gz WBALWJLFGWJLKO-UHFFFAOYSA-N 0 0 345.402 4.296 50 0 EIAARN Cc1ccc(SCCC(=O)O[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000007740730 564122532 /nfs/dbraw/zinc/12/25/32/564122532.db2.gz IDKRNRJCGHDGGE-HNNXBMFYSA-N 0 0 343.448 4.048 50 0 EIAARN Cc1cc(Br)cc(N[C@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195122443 564122814 /nfs/dbraw/zinc/12/28/14/564122814.db2.gz WDVJDCSZFCJHOW-HNNXBMFYSA-N 0 0 343.228 4.077 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCCc2cc(C)ccc21 ZINC000007778856 564123083 /nfs/dbraw/zinc/12/30/83/564123083.db2.gz UDYSVPFHGNAESP-UHFFFAOYSA-N 0 0 345.874 4.402 50 0 EIAARN Cc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c(C)c1 ZINC000007788358 564123306 /nfs/dbraw/zinc/12/33/06/564123306.db2.gz HJZSBBSGAKCMCT-UHFFFAOYSA-N 0 0 326.415 4.046 50 0 EIAARN C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195530176 564123625 /nfs/dbraw/zinc/12/36/25/564123625.db2.gz BCRLLYGESUBULV-ZOBORPQBSA-N 0 0 332.469 4.249 50 0 EIAARN O=C(NCCCCc1nccs1)c1ccc(F)cc1C(F)(F)F ZINC000195542186 564123669 /nfs/dbraw/zinc/12/36/69/564123669.db2.gz RETICKMHUWGTNF-UHFFFAOYSA-N 0 0 346.349 4.054 50 0 EIAARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)s1 ZINC000007825491 564124058 /nfs/dbraw/zinc/12/40/58/564124058.db2.gz JMASYINBQKHWAZ-UHFFFAOYSA-N 0 0 334.422 4.291 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1CCc1ccccc1 ZINC000007884662 564124380 /nfs/dbraw/zinc/12/43/80/564124380.db2.gz GGLAQBKGIDWSBK-OAQYLSRUSA-N 0 0 344.414 4.201 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccc(C(F)(F)F)cc2)N1C1CC1 ZINC000007886021 564124405 /nfs/dbraw/zinc/12/44/05/564124405.db2.gz IANSZSOEUKPUQL-INIZCTEOSA-N 0 0 332.325 4.434 50 0 EIAARN CCOc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1 ZINC000007899545 564124783 /nfs/dbraw/zinc/12/47/83/564124783.db2.gz UQAAHSBQZJUXRN-UHFFFAOYSA-N 0 0 335.403 4.047 50 0 EIAARN Cc1csc(=NC(=O)c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000252669222 564124784 /nfs/dbraw/zinc/12/47/84/564124784.db2.gz GWXSKTHINUJHAE-UHFFFAOYSA-N 0 0 328.824 4.242 50 0 EIAARN Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)c2)cs1 ZINC000252670813 564124817 /nfs/dbraw/zinc/12/48/17/564124817.db2.gz LSXSSVCSNNMGSR-KCQAQPDRSA-N 0 0 329.469 4.145 50 0 EIAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)cc1F ZINC000001397298 564125008 /nfs/dbraw/zinc/12/50/08/564125008.db2.gz CXYUQSSFXNKODV-UHFFFAOYSA-N 0 0 331.347 4.044 50 0 EIAARN CCCCSc1nc2sc3c(c2c(N)n1)C[C@@H](C(C)C)OC3 ZINC000002237472 564125212 /nfs/dbraw/zinc/12/52/12/564125212.db2.gz PKGYKHGMWPSRGK-NSHDSACASA-N 0 0 337.514 4.263 50 0 EIAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(F)cc1 ZINC000007922045 564125474 /nfs/dbraw/zinc/12/54/74/564125474.db2.gz PIRWVSCTYYESAY-LBPRGKRZSA-N 0 0 343.427 4.067 50 0 EIAARN CCc1cccc(CC)c1NC(=O)Oc1c(OC)cccc1OC ZINC000019862774 564129050 /nfs/dbraw/zinc/12/90/50/564129050.db2.gz KYQJQHINNSREEE-UHFFFAOYSA-N 0 0 329.396 4.440 50 0 EIAARN CCCO[C@@H]1CCCN(C(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000067529079 564129447 /nfs/dbraw/zinc/12/94/47/564129447.db2.gz YVVCKQNMPPWGMF-CYBMUJFWSA-N 0 0 340.851 4.080 50 0 EIAARN COC(=O)Cc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000103303243 564129501 /nfs/dbraw/zinc/12/95/01/564129501.db2.gz JWGVLOLYXFTGNH-UHFFFAOYSA-N 0 0 329.705 4.136 50 0 EIAARN O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000253390562 564130427 /nfs/dbraw/zinc/13/04/27/564130427.db2.gz JXWHJJPHFGLNHC-KXUCPTDWSA-N 0 0 348.394 4.037 50 0 EIAARN CCN(C(=O)c1csc(C(F)(F)F)n1)c1ccc2[nH]ccc2c1 ZINC000253416515 564130778 /nfs/dbraw/zinc/13/07/78/564130778.db2.gz HSLBMIYEJIMYMA-UHFFFAOYSA-N 0 0 339.342 4.310 50 0 EIAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000253419671 564130989 /nfs/dbraw/zinc/13/09/89/564130989.db2.gz FNJUOFFCDLZMOB-ZWKOTPCHSA-N 0 0 348.402 4.020 50 0 EIAARN Cc1cc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)nc(-c2cccnc2)n1 ZINC000253422842 564131043 /nfs/dbraw/zinc/13/10/43/564131043.db2.gz CAVSGXSDOGTEOR-QUCCMNQESA-N 0 0 346.434 4.037 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1noc2c1CCc1ccccc1-2 ZINC000002465967 564131397 /nfs/dbraw/zinc/13/13/97/564131397.db2.gz XKZZPJKRPLRMJP-UHFFFAOYSA-N 0 0 342.757 4.485 50 0 EIAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000253498200 564132761 /nfs/dbraw/zinc/13/27/61/564132761.db2.gz NCMZQTLCXHGLOK-ORJOSYTKSA-N 0 0 330.468 4.450 50 0 EIAARN O=C(c1nc2c(n1O)CCCC2)c1ccc(Oc2ccccc2)cc1 ZINC000002357790 564133578 /nfs/dbraw/zinc/13/35/78/564133578.db2.gz HKIAWXJYOHNAPJ-UHFFFAOYSA-N 0 0 334.375 4.023 50 0 EIAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000002399297 564134518 /nfs/dbraw/zinc/13/45/18/564134518.db2.gz LSTZACRXYJCYDJ-YADARESESA-N 0 0 347.395 4.164 50 0 EIAARN COc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000002426708 564134955 /nfs/dbraw/zinc/13/49/55/564134955.db2.gz XEPONGAGERMXIZ-LSDHHAIUSA-N 0 0 336.218 4.221 50 0 EIAARN Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(C)cc3C)o2)cc1 ZINC000007942314 564135339 /nfs/dbraw/zinc/13/53/39/564135339.db2.gz RHYRBLMTDSIGSB-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012658101 564135433 /nfs/dbraw/zinc/13/54/33/564135433.db2.gz WGYHVQYXJNPQAA-CLIDLRMUSA-N 0 0 332.484 4.099 50 0 biogenic EIAARN COc1cccc(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000012764934 564135526 /nfs/dbraw/zinc/13/55/26/564135526.db2.gz VRPBHGWXUFHMPL-HSZRJFAPSA-N 0 0 345.442 4.452 50 0 EIAARN Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000078641833 564136445 /nfs/dbraw/zinc/13/64/45/564136445.db2.gz KFHKWVZDHUWBOL-GOSISDBHSA-N 0 0 326.440 4.189 50 0 EIAARN Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000078641834 564136462 /nfs/dbraw/zinc/13/64/62/564136462.db2.gz KFHKWVZDHUWBOL-SFHVURJKSA-N 0 0 326.440 4.189 50 0 EIAARN O=C(CC1CCC2(CC1)OCCO2)N1CCCC[C@@H]1c1ccccc1 ZINC000276495273 564137278 /nfs/dbraw/zinc/13/72/78/564137278.db2.gz WLDCMAQBYWOPAB-LJQANCHMSA-N 0 0 343.467 4.064 50 0 EIAARN O=C(Nc1cccnc1Cl)c1ccccc1Oc1cccnc1 ZINC000078991862 564137568 /nfs/dbraw/zinc/13/75/68/564137568.db2.gz SLBCBNXWTMSRSU-UHFFFAOYSA-N 0 0 325.755 4.175 50 0 EIAARN COC[C@@](C)(NC(=O)Nc1ccc(OC(C)C)cc1)c1ccccc1 ZINC000079025525 564137642 /nfs/dbraw/zinc/13/76/42/564137642.db2.gz FQYHXWBXLLTGIL-HXUWFJFHSA-N 0 0 342.439 4.157 50 0 EIAARN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000079103216 564137857 /nfs/dbraw/zinc/13/78/57/564137857.db2.gz UYBWHBHVIAGPAK-ZBEGNZNMSA-N 0 0 338.234 4.235 50 0 EIAARN O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000278206985 564138292 /nfs/dbraw/zinc/13/82/92/564138292.db2.gz GRPNRZYDZSUPGH-OPRDCNLKSA-N 0 0 337.794 4.306 50 0 EIAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc2c(c1)OCO2 ZINC000390826326 564138471 /nfs/dbraw/zinc/13/84/71/564138471.db2.gz IFHSPAOGZOHJHX-INIZCTEOSA-N 0 0 343.429 4.058 50 0 EIAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC1CCCCC1 ZINC000095464586 564140976 /nfs/dbraw/zinc/14/09/76/564140976.db2.gz OLDZQKUGWYTXNK-LJQANCHMSA-N 0 0 325.456 4.300 50 0 EIAARN CCCCc1ccc(NC(=O)COC(=O)Cc2ccc(C)cc2)cc1 ZINC000095471407 564141243 /nfs/dbraw/zinc/14/12/43/564141243.db2.gz FGKFHTTULVYCMX-UHFFFAOYSA-N 0 0 339.435 4.062 50 0 EIAARN Cc1n[nH]c(C)c1CCC(=O)Nc1cccc2c1ccn2CC(C)C ZINC000095472096 564141295 /nfs/dbraw/zinc/14/12/95/564141295.db2.gz RESXLRIIEGHZPB-UHFFFAOYSA-N 0 0 338.455 4.209 50 0 EIAARN Cc1nc(C(C)C)c(-c2nn3c(nnc3-c3cccs3)s2)s1 ZINC000095476567 564141443 /nfs/dbraw/zinc/14/14/43/564141443.db2.gz ZBCGXNBHZMMXJX-UHFFFAOYSA-N 0 0 347.494 4.470 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1F ZINC000007960941 564141608 /nfs/dbraw/zinc/14/16/08/564141608.db2.gz IHFPKQTVZOHKIC-UHFFFAOYSA-N 0 0 332.425 4.249 50 0 EIAARN COc1ccc(C)cc1NC(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000020597626 564141731 /nfs/dbraw/zinc/14/17/31/564141731.db2.gz FLEOSWHRLZHUPU-HNNXBMFYSA-N 0 0 337.423 4.025 50 0 EIAARN CCOC(=O)Cc1csc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000095929215 564141945 /nfs/dbraw/zinc/14/19/45/564141945.db2.gz PPNDDNIRBQPQRF-UHFFFAOYSA-N 0 0 331.224 4.299 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1cccc(F)c1)c1cccc(Cl)c1O2 ZINC000021117988 564142491 /nfs/dbraw/zinc/14/24/91/564142491.db2.gz PBEMASVDAZIKSP-RHSMWYFYSA-N 0 0 348.830 4.414 50 0 EIAARN COc1ccc([C@H](NCc2c(C)noc2C)c2ccc(C)cc2)cc1 ZINC000095955439 564142517 /nfs/dbraw/zinc/14/25/17/564142517.db2.gz VQZRZYRMGSMGMY-OAQYLSRUSA-N 0 0 336.435 4.488 50 0 EIAARN Cc1nc(C)c([C@@H](C)N(C)c2cc(C)nc(-c3ccncc3)n2)s1 ZINC000095959052 564142627 /nfs/dbraw/zinc/14/26/27/564142627.db2.gz SLUWTPBTCOSCFL-CYBMUJFWSA-N 0 0 339.468 4.118 50 0 EIAARN CC(=O)N1CCC(Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)CC1 ZINC000095971932 564143461 /nfs/dbraw/zinc/14/34/61/564143461.db2.gz OXQVHKGGPYWGFS-IIBYNOLFSA-N 0 0 344.499 4.205 50 0 EIAARN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C(C)(C)C1CCCC1 ZINC000095975541 564143570 /nfs/dbraw/zinc/14/35/70/564143570.db2.gz IOBBHCVZNPNWHP-UHFFFAOYSA-N 0 0 325.456 4.252 50 0 EIAARN Cc1ocnc1CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000095984744 564143887 /nfs/dbraw/zinc/14/38/87/564143887.db2.gz HGLCUYHLNTZJPJ-UHFFFAOYSA-N 0 0 343.333 4.250 50 0 EIAARN Cc1nnc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 ZINC000095987513 564144015 /nfs/dbraw/zinc/14/40/15/564144015.db2.gz JIFPGVBIHVZCGS-AWEZNQCLSA-N 0 0 327.375 4.106 50 0 EIAARN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2cccc(Br)c2)cc1 ZINC000095997735 564144326 /nfs/dbraw/zinc/14/43/26/564144326.db2.gz ISFCVEJWKNMIGR-MRXNPFEDSA-N 0 0 348.240 4.063 50 0 EIAARN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC2(C1)CCCCC2 ZINC000096003919 564144488 /nfs/dbraw/zinc/14/44/88/564144488.db2.gz YGIUAPIWZPYFTJ-JKSUJKDBSA-N 0 0 348.284 4.345 50 0 EIAARN CCOC[C@H]1CCN(C(=O)Nc2sc(-c3ccccc3)nc2C)C1 ZINC000096010718 564144676 /nfs/dbraw/zinc/14/46/76/564144676.db2.gz BYRLPHWIQLTXLY-AWEZNQCLSA-N 0 0 345.468 4.009 50 0 EIAARN O=C(N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21)c1ccncc1 ZINC000096117345 564145447 /nfs/dbraw/zinc/14/54/47/564145447.db2.gz COJDJTOIOGKYRU-HNNXBMFYSA-N 0 0 325.799 4.024 50 0 EIAARN Cc1noc(C)c1C(=O)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000096117128 564145469 /nfs/dbraw/zinc/14/54/69/564145469.db2.gz JMYSTESQXHFKOP-CQSZACIVSA-N 0 0 343.814 4.234 50 0 EIAARN CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)C1 ZINC000096122468 564145614 /nfs/dbraw/zinc/14/56/14/564145614.db2.gz HCVYSOYHSWDYFD-MRXNPFEDSA-N 0 0 344.842 4.208 50 0 EIAARN CO[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)C1 ZINC000096122469 564145622 /nfs/dbraw/zinc/14/56/22/564145622.db2.gz HCVYSOYHSWDYFD-INIZCTEOSA-N 0 0 344.842 4.208 50 0 EIAARN COC1(CNC(=O)c2cccc3ccccc32)C2CC3CC(C2)CC1C3 ZINC000096123852 564145672 /nfs/dbraw/zinc/14/56/72/564145672.db2.gz SKORHVDHASJMOU-UHFFFAOYSA-N 0 0 349.474 4.411 50 0 EIAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)C1CC1 ZINC000096124421 564145693 /nfs/dbraw/zinc/14/56/93/564145693.db2.gz BPSGDZPEFJUZKP-UHFFFAOYSA-N 0 0 336.420 4.297 50 0 EIAARN O=C(/C=C\c1cccc2cccnc12)NCCc1c[nH]c2ccccc12 ZINC000096129751 564145748 /nfs/dbraw/zinc/14/57/48/564145748.db2.gz ZVTPRNRVOCJJDZ-KHPPLWFESA-N 0 0 341.414 4.088 50 0 EIAARN CC1(C)CC(=O)Nc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc21 ZINC000096182996 564145850 /nfs/dbraw/zinc/14/58/50/564145850.db2.gz DKYCJPNBJNCDSN-HZPDHXFCSA-N 0 0 334.419 4.049 50 0 EIAARN CCc1nnc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)s1 ZINC000096183812 564145868 /nfs/dbraw/zinc/14/58/68/564145868.db2.gz WMBYQPSNFZVLLI-UHFFFAOYSA-N 0 0 349.799 4.392 50 0 EIAARN CC1(C)CC(=O)Nc2ccc(NC(=O)CCCc3ccccc3)cc21 ZINC000096183011 564145881 /nfs/dbraw/zinc/14/58/81/564145881.db2.gz RAYYCPGLWZIYMP-UHFFFAOYSA-N 0 0 336.435 4.268 50 0 EIAARN O=[S@](C/C=C\c1ccccc1)Cc1coc(-c2cccs2)n1 ZINC000096248646 564146129 /nfs/dbraw/zinc/14/61/29/564146129.db2.gz ZQNYXRHXXHNGHT-ZQAYIGKJSA-N 0 0 329.446 4.365 50 0 EIAARN NC(=O)C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1 ZINC000096287577 564146405 /nfs/dbraw/zinc/14/64/05/564146405.db2.gz HPYAPZFBRIJVOG-ZDUSSCGKSA-N 0 0 333.218 4.482 50 0 EIAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2/C=C\c2ccco2)cc1 ZINC000096291579 564146455 /nfs/dbraw/zinc/14/64/55/564146455.db2.gz KFCROCWORHNZMR-GHYICZDASA-N 0 0 346.386 4.400 50 0 EIAARN COc1ccccc1-c1nc2nccc(-c3cc4ccccc4o3)n2n1 ZINC000096345053 564146803 /nfs/dbraw/zinc/14/68/03/564146803.db2.gz AUFHFNVHWDGHMG-UHFFFAOYSA-N 0 0 342.358 4.213 50 0 EIAARN CCOC(=O)Cc1sc(Cc2cccc3ccccc32)nc1C ZINC000096345890 564146809 /nfs/dbraw/zinc/14/68/09/564146809.db2.gz XJCSOOYRDJGMGP-UHFFFAOYSA-N 0 0 325.433 4.301 50 0 EIAARN Cc1nc(/C=C\C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cs1 ZINC000096401432 564147085 /nfs/dbraw/zinc/14/70/85/564147085.db2.gz VGAMMWFXZRVJHA-ARJAWSKDSA-N 0 0 330.497 4.140 50 0 EIAARN O=C(/C=C\c1cccc2cccnc12)NC[C@H]1CCCc2ccccc21 ZINC000096401503 564147107 /nfs/dbraw/zinc/14/71/07/564147107.db2.gz GTJLONVLCIEGTK-CLEWGBKMSA-N 0 0 342.442 4.484 50 0 EIAARN Cc1cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C)s1 ZINC000096409363 564147545 /nfs/dbraw/zinc/14/75/45/564147545.db2.gz NZARIWOTQQKWJB-UHFFFAOYSA-N 0 0 345.308 4.322 50 0 EIAARN Cc1cc(NC(=O)c2cccc(F)c2F)ccc1OC1CCOCC1 ZINC000096414148 564147671 /nfs/dbraw/zinc/14/76/71/564147671.db2.gz GYWLABINJWRWRC-UHFFFAOYSA-N 0 0 347.361 4.083 50 0 EIAARN CCOc1cc(NC(=O)N(C)[C@@H](CC)c2ccncc2)ccc1C ZINC000096415898 564147743 /nfs/dbraw/zinc/14/77/43/564147743.db2.gz RJGYGRJUCJRTGC-KRWDZBQOSA-N 0 0 327.428 4.404 50 0 EIAARN CC[C@@](C)(NC(=O)CCCc1c[nH]c2ccccc12)c1nccs1 ZINC000096416666 564147804 /nfs/dbraw/zinc/14/78/04/564147804.db2.gz WTLLMFPAHPDBAN-LJQANCHMSA-N 0 0 341.480 4.389 50 0 EIAARN COC[C@H]1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000096417951 564147854 /nfs/dbraw/zinc/14/78/54/564147854.db2.gz PFMWRGAUGYMCFX-AWEZNQCLSA-N 0 0 334.485 4.222 50 0 EIAARN CCOc1ccc(NC(=O)N2Cc3cccn3-c3ccccc32)cc1 ZINC000021883617 564148834 /nfs/dbraw/zinc/14/88/34/564148834.db2.gz 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/nfs/dbraw/zinc/15/00/72/564150072.db2.gz RMHZJYLUIHDEQN-UHFFFAOYSA-N 0 0 327.453 4.234 50 0 EIAARN O=C(NCc1cncc(-c2cccs2)c1)c1cc2ccccc2o1 ZINC000225663681 564150177 /nfs/dbraw/zinc/15/01/77/564150177.db2.gz XLGNJXFIOKEPJW-UHFFFAOYSA-N 0 0 334.400 4.486 50 0 EIAARN O=C(/C=C/c1cccs1)NCc1cncc(-c2cccs2)c1 ZINC000225663643 564150190 /nfs/dbraw/zinc/15/01/90/564150190.db2.gz VWZTYPISNXVCJV-AATRIKPKSA-N 0 0 326.446 4.201 50 0 EIAARN O=C(Cn1ccc2ccccc21)NCc1cncc(-c2cccs2)c1 ZINC000225665807 564150201 /nfs/dbraw/zinc/15/02/01/564150201.db2.gz ZXNLCXJZLKRXLY-UHFFFAOYSA-N 0 0 347.443 4.081 50 0 EIAARN O=C(Nc1ccncc1)c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000028234519 564150800 /nfs/dbraw/zinc/15/08/00/564150800.db2.gz RYWSHCTVFODAFR-UHFFFAOYSA-N 0 0 346.745 4.298 50 0 EIAARN COc1ccc2c(CC(=O)Nc3ccc(OC)c(Cl)c3)coc2c1 ZINC000002619364 564151195 /nfs/dbraw/zinc/15/11/95/564151195.db2.gz RWNWICQLZRZFTE-UHFFFAOYSA-N 0 0 345.782 4.285 50 0 EIAARN CCOc1ccc2nc(NC(=O)c3ccc4ccccc4n3)sc2c1 ZINC000002629726 564151425 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CCC[C@@H]1CCCCN1C(=O)Nc1ccc(N2CCCC2)nc1C ZINC000183279070 1051060584 /nfs/dbraw/zinc/06/05/84/1051060584.db2.gz MYLOVLZNYSVLSV-MRXNPFEDSA-N 0 0 330.476 4.177 50 0 EIAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1c(F)cccc1F ZINC000033469826 1051181042 /nfs/dbraw/zinc/18/10/42/1051181042.db2.gz MZZFYJQMKXGZIF-NTMALXAHSA-N 0 0 344.748 4.272 50 0 EIAARN CCc1cccc2c(C(=O)COC(=O)C=Cc3ccc(C)o3)c[nH]c21 ZINC000033527820 1052127829 /nfs/dbraw/zinc/12/78/29/1052127829.db2.gz FFHWNHNJNVRKQX-KTKRTIGZSA-N 0 0 337.375 4.071 50 0 EIAARN O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccccc1Cl ZINC000010155758 1053046573 /nfs/dbraw/zinc/04/65/73/1053046573.db2.gz VINNOXVOLIBVHY-ZDUSSCGKSA-N 0 0 331.799 4.150 50 0 EIAARN CCOc1cc(CN2CCc3c4ccccc4[nH]c3C2)ccc1OC ZINC000000293151 1053311697 /nfs/dbraw/zinc/31/16/97/1053311697.db2.gz JWIYZTHFIMQURX-UHFFFAOYSA-N 0 0 336.435 4.134 50 0 EIAARN Cc1nc([C@H](N[C@H](C)[C@@H]2C[C@H]2C2CC2)c2ccc(Cl)cc2)no1 ZINC000527688058 1053471842 /nfs/dbraw/zinc/47/18/42/1053471842.db2.gz 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O=C(c1cccc(-c2ccc(O)cc2)c1)N(Cc1cccnc1)C1CC1 ZINC000055120625 214276861 /nfs/dbraw/zinc/27/68/61/214276861.db2.gz YWHYJMZMTIARHY-UHFFFAOYSA-N 0 0 344.414 4.259 50 0 EIAARN CCCCc1ccc(C(=O)Nc2c(C)cnn2[C@H](C)C2CC2)nc1 ZINC000055384726 214315687 /nfs/dbraw/zinc/31/56/87/214315687.db2.gz JXRNODMGQSGIGC-CQSZACIVSA-N 0 0 326.444 4.152 50 0 EIAARN Cc1cc(C)cc(OCc2nc(-c3ccc(Br)o3)no2)c1 ZINC000004686683 210248259 /nfs/dbraw/zinc/24/82/59/210248259.db2.gz KTGKCMCFLLPKLC-UHFFFAOYSA-N 0 0 349.184 4.288 50 0 EIAARN CC(C)N(Cc1ccccc1Cl)C(=O)c1cnc2ccccc2n1 ZINC000055413775 214321980 /nfs/dbraw/zinc/32/19/80/214321980.db2.gz JIPJGDYNBKKARL-UHFFFAOYSA-N 0 0 339.826 4.334 50 0 EIAARN CCC(C)(C)NC(=O)c1ccc(NCc2c(C)noc2C)cc1Cl ZINC000055879357 214346292 /nfs/dbraw/zinc/34/62/92/214346292.db2.gz JMERDLUBIFFCBJ-UHFFFAOYSA-N 0 0 349.862 4.475 50 0 EIAARN CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000056158645 214361938 /nfs/dbraw/zinc/36/19/38/214361938.db2.gz PTMNAMLCBPXOLM-CQSZACIVSA-N 0 0 341.411 4.003 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COc1cc(Cl)c(C)cc1NC(=O)c1cccc2ncccc21 ZINC000058367224 214563804 /nfs/dbraw/zinc/56/38/04/214563804.db2.gz XQFZUOMYNYNKQC-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN O[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F ZINC000058745447 214603100 /nfs/dbraw/zinc/60/31/00/214603100.db2.gz XJWXDYZPIJITHZ-LBPRGKRZSA-N 0 0 334.700 4.038 50 0 EIAARN O=C(C/C=C\c1ccc(F)cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000098056686 219076011 /nfs/dbraw/zinc/07/60/11/219076011.db2.gz AVWCWUKWGLLEDQ-UPHRSURJSA-N 0 0 339.410 4.341 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000049548151 214017969 /nfs/dbraw/zinc/01/79/69/214017969.db2.gz CWIMCOJKNNGZHO-KRWDZBQOSA-N 0 0 333.391 4.123 50 0 EIAARN COc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)cc1 ZINC000004589768 210227556 /nfs/dbraw/zinc/22/75/56/210227556.db2.gz SJVTYSFAPWRSGH-GDNBJRDFSA-N 0 0 347.292 4.059 50 0 EIAARN CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1OC ZINC000049545434 214016637 /nfs/dbraw/zinc/01/66/37/214016637.db2.gz ZIZFGRXDNSNHCE-UHFFFAOYSA-N 0 0 341.436 4.147 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0 EIAARN Cc1cc2c(ncnc2SCC(=O)Nc2cccc(C)c2C)s1 ZINC000004488370 210201260 /nfs/dbraw/zinc/20/12/60/210201260.db2.gz JWURGGRIHBTSQL-UHFFFAOYSA-N 0 0 343.477 4.347 50 0 EIAARN Cc1ccc2nsnc2c1NC(=O)c1cccc(OC(C)C)c1 ZINC000004487035 210199425 /nfs/dbraw/zinc/19/94/25/210199425.db2.gz WAKGYPGIQAJPTR-UHFFFAOYSA-N 0 0 327.409 4.039 50 0 EIAARN COc1cc2nc(NC(=O)c3cccc(Cl)c3)sc2cc1OC ZINC000004479896 210198508 /nfs/dbraw/zinc/19/85/08/210198508.db2.gz FHOPIHRTWAZNRO-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(C)cc1Cl ZINC000064472070 214787967 /nfs/dbraw/zinc/78/79/67/214787967.db2.gz XKKBLLFKRITJNQ-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN Cn1c(=O)c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000004434629 210192357 /nfs/dbraw/zinc/19/23/57/210192357.db2.gz NXOSKBPIWPKMFO-VQHVLOKHSA-N 0 0 331.202 4.411 50 0 EIAARN COc1cccc(-c2csc(NC(=O)CCc3ccccc3)n2)c1 ZINC000004425148 210191023 /nfs/dbraw/zinc/19/10/23/210191023.db2.gz OXUATKFOYCHZCV-UHFFFAOYSA-N 0 0 338.432 4.390 50 0 EIAARN Cc1cccc2s/c(=N/C(=O)c3cccc4ccccc43)n(C)c21 ZINC000100878774 219110086 /nfs/dbraw/zinc/11/00/86/219110086.db2.gz KKNGJHCGBDEJIZ-QZQOTICOSA-N 0 0 332.428 4.443 50 0 EIAARN CC(C)CCNC(=O)CCc1c(-c2ccccc2)nc2ccccn21 ZINC000064675858 214800307 /nfs/dbraw/zinc/80/03/07/214800307.db2.gz KLQAITXOXQPZFI-UHFFFAOYSA-N 0 0 335.451 4.096 50 0 EIAARN CCCCC(=O)/N=c1/sc2cc(Br)ccc2n1CC ZINC000100878810 219110489 /nfs/dbraw/zinc/11/04/89/219110489.db2.gz LNFYLJWTFOTNHF-JQIJEIRASA-N 0 0 341.274 4.103 50 0 EIAARN CN(CCc1noc(C2CCCCC2)n1)C(=O)c1cccc(Cl)c1 ZINC000064840611 214808314 /nfs/dbraw/zinc/80/83/14/214808314.db2.gz XKFLGDQYEGZRJR-UHFFFAOYSA-N 0 0 347.846 4.085 50 0 EIAARN CCCc1cc(OC(=O)c2ccccc2F)n(-c2cccc(F)c2)n1 ZINC000004346803 210177438 /nfs/dbraw/zinc/17/74/38/210177438.db2.gz QLIOVDVMLQGCBA-UHFFFAOYSA-N 0 0 342.345 4.322 50 0 EIAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cc(CC)no1 ZINC000064985082 214821541 /nfs/dbraw/zinc/82/15/41/214821541.db2.gz WXNUTMAYTHILQV-HNNXBMFYSA-N 0 0 329.400 4.005 50 0 EIAARN CC(C)(C)n1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2 ZINC000004341914 210175567 /nfs/dbraw/zinc/17/55/67/210175567.db2.gz BTQSVGBEKAQDLP-UHFFFAOYSA-N 0 0 341.436 4.383 50 0 EIAARN O=C(c1cccnc1Oc1ccccc1)n1ccc(-c2cccs2)n1 ZINC000004334527 210172653 /nfs/dbraw/zinc/17/26/53/210172653.db2.gz VUAQHEOKNMMGFZ-UHFFFAOYSA-N 0 0 347.399 4.487 50 0 EIAARN CCCCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)NC1=S ZINC000101400689 219125975 /nfs/dbraw/zinc/12/59/75/219125975.db2.gz ANAFCXXGJQFWQQ-JXAWBTAJSA-N 0 0 336.460 4.211 50 0 EIAARN O=C(/C=C/c1cccs1)Nc1nnc(-c2ccccc2Cl)o1 ZINC000004329623 210171166 /nfs/dbraw/zinc/17/11/66/210171166.db2.gz AABTXDJEORVFBP-BQYQJAHWSA-N 0 0 331.784 4.103 50 0 EIAARN Cc1c(C)n(-c2ccccc2C)c2ncn(Cc3ccccc3)c(=N)c12 ZINC000101415558 219126834 /nfs/dbraw/zinc/12/68/34/219126834.db2.gz DMQNYNISEHKGSX-UHFFFAOYSA-N 0 0 342.446 4.280 50 0 EIAARN Cc1cccc(-c2noc(Cc3nnc(-c4cc(C)cc(C)c4)o3)n2)c1 ZINC000065185464 214839808 /nfs/dbraw/zinc/83/98/08/214839808.db2.gz GEGXMWTVWJDUJE-UHFFFAOYSA-N 0 0 346.390 4.303 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCC(c3noc(N)c3C(C)C)CC2)c1 ZINC000065168202 214835917 /nfs/dbraw/zinc/83/59/17/214835917.db2.gz JXTRBTHUWYFVTP-UHFFFAOYSA-N 0 0 341.455 4.017 50 0 EIAARN Cc1ccc(SCC(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000004303361 210165473 /nfs/dbraw/zinc/16/54/73/210165473.db2.gz PNOKQMWPGJOUHY-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN CC(C)(C)CC(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 ZINC000004305437 210164794 /nfs/dbraw/zinc/16/47/94/210164794.db2.gz AASZPJPTXNEOAI-KRWDZBQOSA-N 0 0 342.508 4.404 50 0 EIAARN O=C(c1ccc2ncsc2c1)N1CCCSc2ccccc21 ZINC000048365603 213932907 /nfs/dbraw/zinc/93/29/07/213932907.db2.gz JGTXONHFMBQPDZ-UHFFFAOYSA-N 0 0 326.446 4.439 50 0 EIAARN O=C(Nc1ccc(-c2ccccc2)cc1)N(C[C@@H]1CCOC1)C1CC1 ZINC000048325750 213921582 /nfs/dbraw/zinc/92/15/82/213921582.db2.gz RDANYJDXXIMACQ-INIZCTEOSA-N 0 0 336.435 4.386 50 0 EIAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)NC1CCCCCC1 ZINC000048310949 213917939 /nfs/dbraw/zinc/91/79/39/213917939.db2.gz JHBBRNSLVPEZHJ-UHFFFAOYSA-N 0 0 348.443 4.412 50 0 EIAARN O=S(=O)(NCCc1ccccc1)c1ccc(Cl)c2ccccc21 ZINC000004269377 210157177 /nfs/dbraw/zinc/15/71/77/210157177.db2.gz BYEHDKGPSSWHDI-UHFFFAOYSA-N 0 0 345.851 4.014 50 0 EIAARN Cc1c2cccc(F)c2oc1C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000048261356 213905014 /nfs/dbraw/zinc/90/50/14/213905014.db2.gz KTLWKHGZGLAGLQ-ZDUSSCGKSA-N 0 0 340.398 4.135 50 0 EIAARN CC(Cn1cc2[nH]cccc-2c1=O)(c1ccccc1)c1ccccc1 ZINC000065381407 214881447 /nfs/dbraw/zinc/88/14/47/214881447.db2.gz JEOIHUWWLJDDKB-UHFFFAOYSA-N 0 0 328.415 4.044 50 0 EIAARN Cc1c(C)c(C)c(S(=O)(=O)N(Cc2ccco2)C2CC2)c(C)c1C ZINC000048234546 213899706 /nfs/dbraw/zinc/89/97/06/213899706.db2.gz PKZJQYZSCNLXOY-UHFFFAOYSA-N 0 0 347.480 4.175 50 0 EIAARN CCc1ccccc1NC(=O)c1c(NC(C)=O)sc2c1CCC2 ZINC000004211546 210145350 /nfs/dbraw/zinc/14/53/50/210145350.db2.gz CWPMEMMEGBXIQC-UHFFFAOYSA-N 0 0 328.437 4.010 50 0 EIAARN CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc21)c1ccc(C)c(C)c1 ZINC000004163806 210136953 /nfs/dbraw/zinc/13/69/53/210136953.db2.gz VHSUZLAKWXVSQA-UHFFFAOYSA-N 0 0 334.419 4.329 50 0 EIAARN CC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000004158775 210134530 /nfs/dbraw/zinc/13/45/30/210134530.db2.gz XLGZTDYBZNRRPS-UHFFFAOYSA-N 0 0 325.408 4.204 50 0 EIAARN FC(F)(F)c1ccccc1-n1nc(C2CC2)nc1Cc1cccnc1 ZINC000065508567 214938114 /nfs/dbraw/zinc/93/81/14/214938114.db2.gz SQAFXQZSJXLAGD-UHFFFAOYSA-N 0 0 344.340 4.149 50 0 EIAARN CCN(CC)C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000004151125 210132177 /nfs/dbraw/zinc/13/21/77/210132177.db2.gz LPJDNHMZVWSQTN-UHFFFAOYSA-N 0 0 327.211 4.439 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000101711323 219158505 /nfs/dbraw/zinc/15/85/05/219158505.db2.gz MVPZIIXKEANFCY-TUAOUCFPSA-N 0 0 330.255 4.265 50 0 EIAARN Cc1cccc(C(=O)N2CCN=C2SCc2cccc(Cl)c2)c1 ZINC000004120601 210125820 /nfs/dbraw/zinc/12/58/20/210125820.db2.gz FOZUWOUSWOJTNB-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN COc1ccc(NC(=O)CCSc2nc3ccccc3s2)cc1 ZINC000004118132 210125073 /nfs/dbraw/zinc/12/50/73/210125073.db2.gz MVLDKIOVPULSBE-UHFFFAOYSA-N 0 0 344.461 4.426 50 0 EIAARN Cc1ccccc1Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000004117928 210124765 /nfs/dbraw/zinc/12/47/65/210124765.db2.gz LRIAGGFAMRILFM-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1 ZINC000004119811 210124799 /nfs/dbraw/zinc/12/47/99/210124799.db2.gz BYXQSWIMPXCSSX-UHFFFAOYSA-N 0 0 330.840 4.085 50 0 EIAARN CCCOc1cccc(C(=O)Nc2c3nsnc3ccc2C)c1 ZINC000004093691 210118497 /nfs/dbraw/zinc/11/84/97/210118497.db2.gz RJLBKFDUHRHVHR-UHFFFAOYSA-N 0 0 327.409 4.041 50 0 EIAARN COc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000004072175 210113131 /nfs/dbraw/zinc/11/31/31/210113131.db2.gz RUZJRERVJZNKKW-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN CCn1cc(SCC(=O)NCCc2ccccc2)c2ccccc21 ZINC000004060555 210110906 /nfs/dbraw/zinc/11/09/06/210110906.db2.gz QHWQPQDBBLTXHQ-UHFFFAOYSA-N 0 0 338.476 4.112 50 0 EIAARN CCN(C(=O)C(=O)c1c(C)n(C)c2ccccc21)c1ccccc1C ZINC000004062582 210110673 /nfs/dbraw/zinc/11/06/73/210110673.db2.gz DVHXDANUKAHRFU-UHFFFAOYSA-N 0 0 334.419 4.031 50 0 EIAARN CCN(C(=O)C(=O)c1c(C)n(C)c2ccccc21)c1cccc(C)c1 ZINC000004062584 210110424 /nfs/dbraw/zinc/11/04/24/210110424.db2.gz YQKXTSVUJMBKBN-UHFFFAOYSA-N 0 0 334.419 4.031 50 0 EIAARN Cn1nc(Oc2ncc(C(F)(F)F)cc2Cl)cc1C(F)(F)F ZINC000004059931 210110036 /nfs/dbraw/zinc/11/00/36/210110036.db2.gz HUAPDEBXQOIQEC-UHFFFAOYSA-N 0 0 345.630 4.298 50 0 EIAARN CC(=O)Oc1ccc(C)c2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 ZINC000004026234 210102967 /nfs/dbraw/zinc/10/29/67/210102967.db2.gz RNKRHMVSDHMQGT-LHUKNYEISA-N 0 0 326.436 4.346 50 0 biogenic EIAARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000004031682 210105080 /nfs/dbraw/zinc/10/50/80/210105080.db2.gz XTKJYDOPEXYYCX-UHFFFAOYSA-N 0 0 347.411 4.195 50 0 EIAARN CCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)cc1Cl ZINC000045901068 213764842 /nfs/dbraw/zinc/76/48/42/213764842.db2.gz FKMJSEMUGOKELC-UHFFFAOYSA-N 0 0 345.761 4.343 50 0 EIAARN CCCC(CCC)C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000003911848 210092638 /nfs/dbraw/zinc/09/26/38/210092638.db2.gz CJWTVZHDIFUULZ-UHFFFAOYSA-N 0 0 342.483 4.020 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000003907694 210091766 /nfs/dbraw/zinc/09/17/66/210091766.db2.gz UDNUJOMSIAPOAB-UHFFFAOYSA-N 0 0 340.766 4.450 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)on1 ZINC000003907621 210091050 /nfs/dbraw/zinc/09/10/50/210091050.db2.gz HMIQPAFMHRBCRP-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 aggregator EIAARN C[C@@H]1CC[C@@H](OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)C[C@H]1C ZINC000102061622 219184556 /nfs/dbraw/zinc/18/45/56/219184556.db2.gz HSYKUCUHSYQGQW-IWSPIJDZSA-N 0 0 335.288 4.421 50 0 EIAARN CC1(C)Cc2c3ccccc3ccc2/C(=C/C(=O)Nc2nccs2)N1 ZINC000003859116 210080176 /nfs/dbraw/zinc/08/01/76/210080176.db2.gz QIZIAFGIOMEBSW-BOPFTXTBSA-N 0 0 349.459 4.200 50 0 EIAARN Brc1cccc(CSc2nnc(NC3CC3)s2)c1 ZINC000022174482 212280002 /nfs/dbraw/zinc/28/00/02/212280002.db2.gz UEQPUELUBNIQTO-UHFFFAOYSA-N 0 0 342.287 4.167 50 0 EIAARN Fc1cccc(Cl)c1Cc1nnc(SCc2ccccn2)o1 ZINC000066257610 215028012 /nfs/dbraw/zinc/02/80/12/215028012.db2.gz ZGKASJFVEGVYAA-UHFFFAOYSA-N 0 0 335.791 4.140 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)o1 ZINC000003662528 210072645 /nfs/dbraw/zinc/07/26/45/210072645.db2.gz FQRJLRQWVCYBSP-UHFFFAOYSA-N 0 0 349.799 4.022 50 0 EIAARN CC(C)c1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000003647905 210070499 /nfs/dbraw/zinc/07/04/99/210070499.db2.gz YNSJCHASNBUDHY-MRXNPFEDSA-N 0 0 326.421 4.448 50 0 EIAARN COc1ccc(OCCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003611747 210066148 /nfs/dbraw/zinc/06/61/48/210066148.db2.gz QFICBGZMOLYDKZ-UHFFFAOYSA-N 0 0 337.778 4.285 50 0 EIAARN Cc1ccc(NC(=O)CSc2ccccc2)c(Br)c1 ZINC000003613339 210065623 /nfs/dbraw/zinc/06/56/23/210065623.db2.gz SQYBNDBQPLSXED-UHFFFAOYSA-N 0 0 336.254 4.488 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)COc2cc(Cl)ccc2Cl)c1C ZINC000003597742 210061590 /nfs/dbraw/zinc/06/15/90/210061590.db2.gz GLIJNIXXBFZCDN-UHFFFAOYSA-N 0 0 340.206 4.403 50 0 EIAARN CCNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC000045165251 213710425 /nfs/dbraw/zinc/71/04/25/213710425.db2.gz XEUMBEWPIZBCAB-UHFFFAOYSA-N 0 0 328.462 4.217 50 0 EIAARN Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000102537202 219209376 /nfs/dbraw/zinc/20/93/76/219209376.db2.gz HCSFDGNFLGIIKS-OALUTQOASA-N 0 0 333.387 4.243 50 0 EIAARN COc1ccc(CCSc2nnc3sc4ccccc4n23)cc1 ZINC000003545574 210052353 /nfs/dbraw/zinc/05/23/53/210052353.db2.gz PVDGOYZWMYWXSF-UHFFFAOYSA-N 0 0 341.461 4.287 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccncc1 ZINC000003560619 210054474 /nfs/dbraw/zinc/05/44/74/210054474.db2.gz ZCMKIABAILBBDT-UHFFFAOYSA-N 0 0 335.432 4.336 50 0 EIAARN CCSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1C(=O)CCCC1=N2 ZINC000102544300 219208804 /nfs/dbraw/zinc/20/88/04/219208804.db2.gz WBPXHPJYPAAUDP-HNNXBMFYSA-N 0 0 344.415 4.201 50 0 EIAARN Cc1cc(Br)cc(Cl)c1OC(=O)c1ccncc1 ZINC000003556306 210054286 /nfs/dbraw/zinc/05/42/86/210054286.db2.gz MRMHLCIXCARZGG-UHFFFAOYSA-N 0 0 326.577 4.025 50 0 EIAARN CN(C)c1nc(Sc2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000003469899 210048684 /nfs/dbraw/zinc/04/86/84/210048684.db2.gz CMFPLTGGTJKZHM-UHFFFAOYSA-N 0 0 333.766 4.366 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)c1 ZINC000003454006 210044046 /nfs/dbraw/zinc/04/40/46/210044046.db2.gz MUAQMYPBZFGKBK-UHFFFAOYSA-N 0 0 330.434 4.390 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)C1(c2ccccc2)CCCC1 ZINC000003451460 210042666 /nfs/dbraw/zinc/04/26/66/210042666.db2.gz HRJKKFAHYDHDPK-UHFFFAOYSA-N 0 0 326.465 4.472 50 0 EIAARN Cc1occc1-c1nnc(SCc2nc3ccccc3s2)n1C ZINC000003432015 210037662 /nfs/dbraw/zinc/03/76/62/210037662.db2.gz BGIZMKGUQNRJLK-UHFFFAOYSA-N 0 0 342.449 4.286 50 0 EIAARN CCOc1ccc2oc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1 ZINC000003444995 210041389 /nfs/dbraw/zinc/04/13/89/210041389.db2.gz YZABJKQJXWLEOK-UHFFFAOYSA-N 0 0 339.347 4.121 50 0 EIAARN COc1ccccc1[C@H](C)NC(=O)COc1ccc2ccccc2c1 ZINC000003435425 210039210 /nfs/dbraw/zinc/03/92/10/210039210.db2.gz OSYYHBPDEIKXHW-HNNXBMFYSA-N 0 0 335.403 4.105 50 0 EIAARN O=c1[nH]c2ccccc2n1CCCOc1ccc(-c2ccccc2)cc1 ZINC000003438536 210038899 /nfs/dbraw/zinc/03/88/99/210038899.db2.gz WIRTVEQQPNBLTK-UHFFFAOYSA-N 0 0 344.414 4.466 50 0 EIAARN O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000003427482 210035858 /nfs/dbraw/zinc/03/58/58/210035858.db2.gz JAQJMGKHQGMUFZ-ZHACJKMWSA-N 0 0 327.327 4.118 50 0 EIAARN CSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102669096 219219969 /nfs/dbraw/zinc/21/99/69/219219969.db2.gz NCYLEMOPPZOIQQ-OAHLLOKOSA-N 0 0 340.452 4.308 50 0 EIAARN CCSc1nc2n(n1)[C@H](c1cccs1)C1C(=O)CCCC1=N2 ZINC000102675330 219221306 /nfs/dbraw/zinc/22/13/06/219221306.db2.gz YJJDXIBXJWLBNU-CYBMUJFWSA-N 0 0 332.454 4.123 50 0 EIAARN CC(=O)c1cccc(NC(=O)CCC(=O)c2cc(C)sc2C)c1 ZINC000003410664 210031689 /nfs/dbraw/zinc/03/16/89/210031689.db2.gz KVNXGZHKTCBCBE-UHFFFAOYSA-N 0 0 329.421 4.169 50 0 EIAARN Cc1nnc(S[C@H](C)C(=O)c2ccc(C)cc2)n1-c1ccccc1 ZINC000003409788 210031735 /nfs/dbraw/zinc/03/17/35/210031735.db2.gz UIGOCYOZDPRZIP-CQSZACIVSA-N 0 0 337.448 4.248 50 0 EIAARN Cc1cnc(NC(=O)CSc2c(Cl)cccc2Cl)s1 ZINC000003403542 210029836 /nfs/dbraw/zinc/02/98/36/210029836.db2.gz CMXBLBDEIROVGW-UHFFFAOYSA-N 0 0 333.265 4.489 50 0 EIAARN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)n2C)c1 ZINC000003400282 210028711 /nfs/dbraw/zinc/02/87/11/210028711.db2.gz RKZLKKLPAMYDCC-AWEZNQCLSA-N 0 0 337.448 4.154 50 0 EIAARN CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000102675412 219221567 /nfs/dbraw/zinc/22/15/67/219221567.db2.gz FLJHVSOTFMLWBQ-CQSZACIVSA-N 0 0 346.843 4.325 50 0 EIAARN Cn1cnnc1S[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003395193 210026312 /nfs/dbraw/zinc/02/63/12/210026312.db2.gz LJSMZHQSYQXWGN-GOSISDBHSA-N 0 0 348.431 4.013 50 0 EIAARN CC(C)Nc1nnc(SCCOc2ccccc2Cl)s1 ZINC000003383230 210023802 /nfs/dbraw/zinc/02/38/02/210023802.db2.gz WOBIVHHAGZOMSK-UHFFFAOYSA-N 0 0 329.878 4.183 50 0 EIAARN NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1ccccc1 ZINC000102739002 219226190 /nfs/dbraw/zinc/22/61/90/219226190.db2.gz GAUURTYAKGFJBI-UHFFFAOYSA-N 0 0 335.432 4.101 50 0 EIAARN Cc1cccc2c(C)cc(SCC(=O)N3CCCC[C@H]3C)nc12 ZINC000003381853 210022789 /nfs/dbraw/zinc/02/27/89/210022789.db2.gz NLHVGPCZYZXPMN-OAHLLOKOSA-N 0 0 328.481 4.345 50 0 EIAARN CC(C)(C)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000003367341 210018845 /nfs/dbraw/zinc/01/88/45/210018845.db2.gz CCLPHHHGGXQGQK-UHFFFAOYSA-N 0 0 336.435 4.363 50 0 EIAARN O=C(CSc1nnc(Nc2ccccc2F)s1)c1ccccc1 ZINC000003355342 210016682 /nfs/dbraw/zinc/01/66/82/210016682.db2.gz WAHAIQQGQMYQDC-UHFFFAOYSA-N 0 0 345.424 4.396 50 0 EIAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccc(F)cc1 ZINC000003363102 210018207 /nfs/dbraw/zinc/01/82/07/210018207.db2.gz LAWUKYCDZXNEST-UHFFFAOYSA-N 0 0 344.357 4.203 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000003346140 210014699 /nfs/dbraw/zinc/01/46/99/210014699.db2.gz IUTIKYMHCCOMCC-CQSZACIVSA-N 0 0 329.415 4.379 50 0 EIAARN Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)C(=O)[C@H]2C)cc1 ZINC000003344487 210012883 /nfs/dbraw/zinc/01/28/83/210012883.db2.gz PZJYRTKQLVGCTA-GFCCVEGCSA-N 0 0 346.789 4.145 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)nc3)n2)cc1 ZINC000003346003 210014401 /nfs/dbraw/zinc/01/44/01/210014401.db2.gz WMNONVOCDFURLS-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)cn2c1S[C@H](C)C2=O ZINC000003345017 210013383 /nfs/dbraw/zinc/01/33/83/210013383.db2.gz WPUZCNVJKVJSLW-SECBINFHSA-N 0 0 335.812 4.120 50 0 EIAARN CN(Cc1ccccc1F)c1nc(-c2cccnc2)nc2ccccc21 ZINC000003342097 210013246 /nfs/dbraw/zinc/01/32/46/210013246.db2.gz BXUKOIPKEOHXAA-UHFFFAOYSA-N 0 0 344.393 4.467 50 0 EIAARN COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000003344810 210013326 /nfs/dbraw/zinc/01/33/26/210013326.db2.gz YOCWSWWDVIITJG-UHFFFAOYSA-N 0 0 329.827 4.039 50 0 EIAARN COc1ccccc1OCCNC(=S)Nc1ccc(C(C)C)cc1 ZINC000003328295 210008402 /nfs/dbraw/zinc/00/84/02/210008402.db2.gz CZNSWEJSDVBOPM-UHFFFAOYSA-N 0 0 344.480 4.184 50 0 EIAARN O=C(C=Cc1ccccc1Cl)OCC(=O)c1ccc(Cl)cc1 ZINC000003328270 210008007 /nfs/dbraw/zinc/00/80/07/210008007.db2.gz GPXMVOIKNYTXEQ-JXMROGBWSA-N 0 0 335.186 4.433 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000003322928 210007242 /nfs/dbraw/zinc/00/72/42/210007242.db2.gz FXXUOTSASFRWTP-UHFFFAOYSA-N 0 0 325.437 4.395 50 0 EIAARN O=C(CSCc1ccc(F)cc1)Nc1nc2c(s1)CCCC2 ZINC000003333711 210010379 /nfs/dbraw/zinc/01/03/79/210010379.db2.gz BOEATSOZMRMDAA-UHFFFAOYSA-N 0 0 336.457 4.033 50 0 EIAARN COc1ccc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000003299994 210002063 /nfs/dbraw/zinc/00/20/63/210002063.db2.gz NKLBNWQARWRJSR-UHFFFAOYSA-N 0 0 339.174 4.042 50 0 EIAARN O=C(COC(=O)c1ccc2ccccc2n1)c1cccc2ccccc21 ZINC000003310626 210003443 /nfs/dbraw/zinc/00/34/43/210003443.db2.gz JGXPUYUCYSJVAR-UHFFFAOYSA-N 0 0 341.366 4.428 50 0 EIAARN COC(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003310290 210003515 /nfs/dbraw/zinc/00/35/15/210003515.db2.gz MRJJFDOCLJXMKZ-UHFFFAOYSA-N 0 0 338.285 4.136 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000003290761 209998992 /nfs/dbraw/zinc/99/89/92/209998992.db2.gz GUWHYZWHMVLGOO-UHFFFAOYSA-N 0 0 326.343 4.293 50 0 EIAARN CCCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1F ZINC000067258681 215128816 /nfs/dbraw/zinc/12/88/16/215128816.db2.gz MWDHEFNSRVURGI-UHFFFAOYSA-N 0 0 346.402 4.377 50 0 EIAARN Cc1cccc(C[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000102947504 219243285 /nfs/dbraw/zinc/24/32/85/219243285.db2.gz NSLROJIFJYCKDB-AWEZNQCLSA-N 0 0 347.336 4.136 50 0 EIAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1sccc1C ZINC000003265611 209993986 /nfs/dbraw/zinc/99/39/86/209993986.db2.gz DKXCGSOHTHZXLX-UHFFFAOYSA-N 0 0 337.466 4.418 50 0 EIAARN Cc1nc2sc3c(c2c(NC[C@@H](O)c2ccccc2)n1)CCCC3 ZINC000003282928 209997075 /nfs/dbraw/zinc/99/70/75/209997075.db2.gz PKRGXEINZCWTHP-OAHLLOKOSA-N 0 0 339.464 4.024 50 0 EIAARN COC(=O)c1ccccc1NC(=O)/C=C/c1cc2cc(C)ccc2o1 ZINC000067339667 215134686 /nfs/dbraw/zinc/13/46/86/215134686.db2.gz FMUZQTWDWIDCDN-CSKARUKUSA-N 0 0 335.359 4.180 50 0 EIAARN CCOC1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000067356770 215135560 /nfs/dbraw/zinc/13/55/60/215135560.db2.gz YCAGWUHRJFVRHJ-UHFFFAOYSA-N 0 0 330.400 4.034 50 0 EIAARN O=C(CCSc1ccccc1)OCC(=O)c1ccc(Cl)cc1 ZINC000003263604 209992657 /nfs/dbraw/zinc/99/26/57/209992657.db2.gz YXCYCJVLOVXUEV-UHFFFAOYSA-N 0 0 334.824 4.248 50 0 EIAARN O=C(c1ccc2cc[nH]c2c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000067460352 215149524 /nfs/dbraw/zinc/14/95/24/215149524.db2.gz HGFIZGKMNYYKBL-SFHVURJKSA-N 0 0 340.810 4.035 50 0 EIAARN COCc1nn2c(nccc2-c2ccsc2)c1-c1ccc(F)cc1 ZINC000067630335 215170203 /nfs/dbraw/zinc/17/02/03/215170203.db2.gz BPGMJTDNNRFGTK-UHFFFAOYSA-N 0 0 339.395 4.410 50 0 EIAARN Cc1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nn1 ZINC000067613113 215169004 /nfs/dbraw/zinc/16/90/04/215169004.db2.gz QHKIPVWMFSAZDH-UHFFFAOYSA-N 0 0 338.798 4.434 50 0 EIAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(Cn2cccc2)CC1 ZINC000042782928 213534051 /nfs/dbraw/zinc/53/40/51/213534051.db2.gz XOCSGZGMGCCUDY-UHFFFAOYSA-N 0 0 337.250 4.347 50 0 EIAARN Cc1cc(C)c(C(=O)NCc2cccnc2Oc2ccccc2C)cn1 ZINC000067673010 215177674 /nfs/dbraw/zinc/17/76/74/215177674.db2.gz ZVOHIWMROBAHCF-UHFFFAOYSA-N 0 0 347.418 4.124 50 0 EIAARN O=C(Cc1noc2ccccc12)Nc1ccc(Oc2ccccc2)nc1 ZINC000067680396 215184276 /nfs/dbraw/zinc/18/42/76/215184276.db2.gz QDNAQFZSTLJYPJ-UHFFFAOYSA-N 0 0 345.358 4.196 50 0 EIAARN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CC(C)C)CCO3)s1 ZINC000067722898 215195106 /nfs/dbraw/zinc/19/51/06/215195106.db2.gz HIAIJRDHTSBIRR-UHFFFAOYSA-N 0 0 345.464 4.196 50 0 EIAARN Cc1ccccc1Oc1ncccc1CNC(=O)Cc1ccsc1 ZINC000067695622 215187090 /nfs/dbraw/zinc/18/70/90/215187090.db2.gz LBKORQYYLMRETK-UHFFFAOYSA-N 0 0 338.432 4.103 50 0 EIAARN C/C=C/c1ccc(OCCOc2ccc(C=O)cc2OC)c(OC)c1 ZINC000002991228 209951787 /nfs/dbraw/zinc/95/17/87/209951787.db2.gz AXIXRZAGXKYWIN-SNAWJCMRSA-N 0 0 342.391 4.007 50 0 EIAARN CCCCc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 ZINC000002982968 209949731 /nfs/dbraw/zinc/94/97/31/209949731.db2.gz CBZIBXBCJSWDEJ-UHFFFAOYSA-N 0 0 330.428 4.295 50 0 EIAARN C[C@H](c1ccncn1)N(C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000067787212 215211943 /nfs/dbraw/zinc/21/19/43/215211943.db2.gz XRGCTOWCPBQALA-OAHLLOKOSA-N 0 0 343.434 4.213 50 0 EIAARN CCC(C)(C)NC(=O)CCn1c(C)c(C(C)=O)cc1-c1ccccc1 ZINC000002929630 209943366 /nfs/dbraw/zinc/94/33/66/209943366.db2.gz GAIHXJARUZUZBX-UHFFFAOYSA-N 0 0 340.467 4.361 50 0 EIAARN COc1ccccc1Cn1ccnc1-c1cnc(-c2cccs2)nc1 ZINC000067821030 215222252 /nfs/dbraw/zinc/22/22/52/215222252.db2.gz GWCAIFCPXHKMNV-UHFFFAOYSA-N 0 0 348.431 4.126 50 0 EIAARN COC(=O)c1cn(C(=O)c2ccc(C)cc2Cl)c2ccccc12 ZINC000002878560 209934929 /nfs/dbraw/zinc/93/49/29/209934929.db2.gz VNHWAGHHYYRNFE-UHFFFAOYSA-N 0 0 327.767 4.078 50 0 EIAARN Cc1cncc(C(=O)NCc2cccnc2Oc2c(C)cccc2C)c1 ZINC000067850574 215229992 /nfs/dbraw/zinc/22/99/92/215229992.db2.gz WSLLJFPVGBUJMM-UHFFFAOYSA-N 0 0 347.418 4.124 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC000067945255 215253913 /nfs/dbraw/zinc/25/39/13/215253913.db2.gz HAOFFIMVXGKEHK-LSDHHAIUSA-N 0 0 328.799 4.041 50 0 EIAARN CC[C@@H](C)C(=O)N1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067965348 215260613 /nfs/dbraw/zinc/26/06/13/215260613.db2.gz REXZSFSNHRIKDE-GFCCVEGCSA-N 0 0 345.464 4.196 50 0 EIAARN Cc1ccc(C2=Nc3nnnn3[C@H](c3cccc4ccccc43)C2)cc1 ZINC000103327057 219292116 /nfs/dbraw/zinc/29/21/16/219292116.db2.gz LAQLLSIKNPDQAE-FQEVSTJZSA-N 0 0 339.402 4.191 50 0 EIAARN CCOc1ccc2ccccc2c1C(=O)n1nc(C(F)(F)F)cc1C ZINC000002763971 209904695 /nfs/dbraw/zinc/90/46/95/209904695.db2.gz FGYQWUPUSUQHIP-UHFFFAOYSA-N 0 0 348.324 4.451 50 0 EIAARN CCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccs1 ZINC000002721322 209895930 /nfs/dbraw/zinc/89/59/30/209895930.db2.gz LEMWNGVWPPJAJP-ZDUSSCGKSA-N 0 0 327.453 4.389 50 0 EIAARN O=C(c1ccc2[nH]c(C(F)F)nc2c1)N(Cc1cccs1)C1CC1 ZINC000068319655 215300011 /nfs/dbraw/zinc/30/00/11/215300011.db2.gz LXVWILGODWHGKJ-UHFFFAOYSA-N 0 0 347.390 4.367 50 0 EIAARN CCc1cccc2c(C(=O)COC(=O)c3ccc(F)cc3F)c[nH]c21 ZINC000002651181 209884369 /nfs/dbraw/zinc/88/43/69/209884369.db2.gz WVIGXTCYAIYZCX-UHFFFAOYSA-N 0 0 343.329 4.048 50 0 EIAARN Cc1csc(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000002648668 209883818 /nfs/dbraw/zinc/88/38/18/209883818.db2.gz NUSREWOQUNDSJD-QMMMGPOBSA-N 0 0 330.837 4.363 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1cccc(Cl)c1 ZINC000002644845 209882881 /nfs/dbraw/zinc/88/28/81/209882881.db2.gz YFLVWRMGAAHSNL-UHFFFAOYSA-N 0 0 326.783 4.233 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000002628807 209877363 /nfs/dbraw/zinc/87/73/63/209877363.db2.gz ZSPVMQKUDWEMTM-UHFFFAOYSA-N 0 0 333.416 4.244 50 0 EIAARN Cc1ccc(SCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002571038 209870236 /nfs/dbraw/zinc/87/02/36/209870236.db2.gz LQDNRFBQQNMFTQ-UHFFFAOYSA-N 0 0 347.308 4.421 50 0 EIAARN CCCCOc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1 ZINC000041091709 213414825 /nfs/dbraw/zinc/41/48/25/213414825.db2.gz AJYVZPURWNVVGY-UHFFFAOYSA-N 0 0 347.480 4.193 50 0 EIAARN COC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@@H]1c1cccs1 ZINC000104168358 219354973 /nfs/dbraw/zinc/35/49/73/219354973.db2.gz ODCHPKMZSMPCNF-OAHLLOKOSA-N 0 0 337.400 4.064 50 0 EIAARN O=C(Nc1cc(Cl)ccn1)[C@@]1(c2ccccc2)CC1(Cl)Cl ZINC000002206445 209830797 /nfs/dbraw/zinc/83/07/97/209830797.db2.gz ACXBEPYLGCXLKV-AWEZNQCLSA-N 0 0 341.625 4.189 50 0 EIAARN Cc1cc(NCc2cccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002204600 209830148 /nfs/dbraw/zinc/83/01/48/209830148.db2.gz XKWCKKSMJQPAIO-UHFFFAOYSA-N 0 0 349.825 4.365 50 0 EIAARN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000068756307 215332298 /nfs/dbraw/zinc/33/22/98/215332298.db2.gz XIGFGPGVBNVZJQ-KGLIPLIRSA-N 0 0 335.234 4.151 50 0 EIAARN Cc1cc2oc(=O)cc(CNc3ccccc3-n3cccn3)c2cc1C ZINC000068781150 215333948 /nfs/dbraw/zinc/33/39/48/215333948.db2.gz UDYBVOLQFGLPDX-UHFFFAOYSA-N 0 0 345.402 4.208 50 0 EIAARN CCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2sccc21 ZINC000040786466 213386761 /nfs/dbraw/zinc/38/67/61/213386761.db2.gz VWVBFOATGWDWOR-UHFFFAOYSA-N 0 0 337.448 4.177 50 0 biogenic EIAARN CCCOC(=O)c1c(CC)c(C)sc1NC(=O)Cc1ccccc1 ZINC000002101557 209819341 /nfs/dbraw/zinc/81/93/41/209819341.db2.gz BNTGOOOJOCWUNY-UHFFFAOYSA-N 0 0 345.464 4.367 50 0 EIAARN CC[C@@H](C)c1noc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 ZINC000040714381 213373560 /nfs/dbraw/zinc/37/35/60/213373560.db2.gz VZEXSPCEQGYNJN-BOLDSZDNSA-N 0 0 339.439 4.003 50 0 EIAARN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc2ccccc21 ZINC000040721371 213374946 /nfs/dbraw/zinc/37/49/46/213374946.db2.gz NOFLJKXPSONMRP-NRFANRHFSA-N 0 0 344.414 4.107 50 0 EIAARN O=C(NCCCc1nc2c(s1)CCCC2)c1cccc(Cl)c1 ZINC000069324183 215377626 /nfs/dbraw/zinc/37/76/26/215377626.db2.gz KBEARBKQUXLXBE-UHFFFAOYSA-N 0 0 334.872 4.038 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1ccc(C(C)C)cc1 ZINC000069350449 215384580 /nfs/dbraw/zinc/38/45/80/215384580.db2.gz WJOSKSJDZPBZIL-AWEZNQCLSA-N 0 0 331.485 4.280 50 0 EIAARN CCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000001906249 209803379 /nfs/dbraw/zinc/80/33/79/209803379.db2.gz MVHJYAJSVUOJKK-INIZCTEOSA-N 0 0 333.435 4.357 50 0 EIAARN Cc1ccccc1CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000069371986 215391185 /nfs/dbraw/zinc/39/11/85/215391185.db2.gz HWZJUXDYPCCEIH-UHFFFAOYSA-N 0 0 329.443 4.486 50 0 EIAARN Cc1noc([C@H](C)NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000069379635 215394622 /nfs/dbraw/zinc/39/46/22/215394622.db2.gz OBWVEQHZWGNUIR-LBPRGKRZSA-N 0 0 338.367 4.053 50 0 EIAARN CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000040526728 213335784 /nfs/dbraw/zinc/33/57/84/213335784.db2.gz QQUNYMDXDLKZRY-UHFFFAOYSA-N 0 0 339.439 4.335 50 0 EIAARN COc1ccc(OCCCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000001778337 209792699 /nfs/dbraw/zinc/79/26/99/209792699.db2.gz TZFNHKSAFNXGAM-UHFFFAOYSA-N 0 0 349.814 4.155 50 0 EIAARN CCCCOc1ccccc1NC(=O)c1cncc(Br)c1 ZINC000001777609 209792714 /nfs/dbraw/zinc/79/27/14/209792714.db2.gz BWABWNLDWGCFGF-UHFFFAOYSA-N 0 0 349.228 4.275 50 0 EIAARN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc(Cl)ccc1Cl ZINC000069484216 215436152 /nfs/dbraw/zinc/43/61/52/215436152.db2.gz SARGVRLICKKDAB-UHFFFAOYSA-N 0 0 333.178 4.031 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1 ZINC000040288401 213289914 /nfs/dbraw/zinc/28/99/14/213289914.db2.gz LVBSGNGMJALERP-MRXNPFEDSA-N 0 0 337.354 4.144 50 0 EIAARN CSc1ccc(CN(C)C(=O)c2ccccc2OC(F)F)cc1 ZINC000040159566 213276102 /nfs/dbraw/zinc/27/61/02/213276102.db2.gz XYXAADMADMNXOR-UHFFFAOYSA-N 0 0 337.391 4.282 50 0 EIAARN O=C(Nc1cccc(NC(=O)C2CCCCC2)n1)C1CCCCC1 ZINC000001508597 209755245 /nfs/dbraw/zinc/75/52/45/209755245.db2.gz SNILTEBPNNZHKI-UHFFFAOYSA-N 0 0 329.444 4.119 50 0 EIAARN CC(C)N(Cc1cnn(C)c1)C(=O)c1sc2ccccc2c1Cl ZINC000040157039 213276037 /nfs/dbraw/zinc/27/60/37/213276037.db2.gz FWOBMRVPTMXTTK-UHFFFAOYSA-N 0 0 347.871 4.339 50 0 EIAARN Fc1cccc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)c1 ZINC000040153838 213274524 /nfs/dbraw/zinc/27/45/24/213274524.db2.gz MWTYPTFQUMBOGF-SFHVURJKSA-N 0 0 337.398 4.137 50 0 EIAARN CCOC(=O)/C(=C/c1ccccc1)c1nccn1Cc1ccccc1 ZINC000040154946 213274826 /nfs/dbraw/zinc/27/48/26/213274826.db2.gz GQWYCGJSVVYJBJ-XDJHFCHBSA-N 0 0 332.403 4.035 50 0 EIAARN COc1ccc(C2=CCN(C(=O)CCCc3cccs3)CC2)cc1 ZINC000040122413 213269666 /nfs/dbraw/zinc/26/96/66/213269666.db2.gz FZUNVYNJHOIENK-UHFFFAOYSA-N 0 0 341.476 4.395 50 0 EIAARN CSc1ccc([C@@H](C)NC(=O)CCCc2nc(C(C)C)no2)cc1 ZINC000040133765 213269731 /nfs/dbraw/zinc/26/97/31/213269731.db2.gz HHRZZZWSEPZLSX-CYBMUJFWSA-N 0 0 347.484 4.115 50 0 EIAARN CN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000040138990 213270972 /nfs/dbraw/zinc/27/09/72/213270972.db2.gz ZDVFUOCRIQSWOQ-ZDUSSCGKSA-N 0 0 336.844 4.067 50 0 EIAARN O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1CCCc2ccccc21 ZINC000040112564 213268090 /nfs/dbraw/zinc/26/80/90/213268090.db2.gz AAHKQFMOBYDBJB-LJQANCHMSA-N 0 0 345.402 4.328 50 0 EIAARN CCCCC[C@H](C)NC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000040104409 213264680 /nfs/dbraw/zinc/26/46/80/213264680.db2.gz JSKFWSAAQWTWKX-NSHDSACASA-N 0 0 325.840 4.389 50 0 EIAARN COc1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000040097637 213263231 /nfs/dbraw/zinc/26/32/31/213263231.db2.gz ZAHNYTQOUWOWIV-NSHDSACASA-N 0 0 334.803 4.240 50 0 EIAARN O=C(CCc1ccccc1)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000040090703 213262959 /nfs/dbraw/zinc/26/29/59/213262959.db2.gz SIODYIAQRFVNCS-UHFFFAOYSA-N 0 0 342.826 4.038 50 0 EIAARN COc1ccc(OC)c(-c2csc(Cc3csc(C)n3)n2)c1 ZINC000040086301 213260749 /nfs/dbraw/zinc/26/07/49/213260749.db2.gz ZLXBIUWLJDKTTJ-UHFFFAOYSA-N 0 0 332.450 4.183 50 0 EIAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc(Cl)c1 ZINC000040087138 213260152 /nfs/dbraw/zinc/26/01/52/213260152.db2.gz AMGMZRPRDONDCO-UHFFFAOYSA-N 0 0 329.812 4.441 50 0 EIAARN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000040071280 213258340 /nfs/dbraw/zinc/25/83/40/213258340.db2.gz ZVUILHDCYIJURD-VHRBIJSZSA-N 0 0 332.341 4.307 50 0 EIAARN COc1cc(C(=O)N2CCCCC[C@@H]2c2cccn2C)ccc1C ZINC000040049081 213254444 /nfs/dbraw/zinc/25/44/44/213254444.db2.gz MEGRKXYVMCJSTA-GOSISDBHSA-N 0 0 326.440 4.100 50 0 EIAARN COc1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)ccc1C ZINC000040049082 213254449 /nfs/dbraw/zinc/25/44/49/213254449.db2.gz MEGRKXYVMCJSTA-SFHVURJKSA-N 0 0 326.440 4.100 50 0 EIAARN Cc1ccc(Cn2nccc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000040040242 213254132 /nfs/dbraw/zinc/25/41/32/213254132.db2.gz DKGYPIROCAABRX-UHFFFAOYSA-N 0 0 325.799 4.146 50 0 EIAARN CCc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)sc1C ZINC000040013449 213249861 /nfs/dbraw/zinc/24/98/61/213249861.db2.gz PYLJSWNXTWSGPG-INIZCTEOSA-N 0 0 339.464 4.473 50 0 EIAARN c1cc(-c2nc(CSc3ccc4c(c3)OCCCO4)no2)cs1 ZINC000039554146 213240833 /nfs/dbraw/zinc/24/08/33/213240833.db2.gz KNMRCATWJCQYOU-UHFFFAOYSA-N 0 0 346.433 4.252 50 0 EIAARN CCCn1[nH]c(C)c2nc(-c3ccc(OCc4ccccn4)cc3)nc1-2 ZINC000039490123 213237854 /nfs/dbraw/zinc/23/78/54/213237854.db2.gz GCRYQDMJUHIDLB-UHFFFAOYSA-N 0 0 347.422 4.119 50 0 EIAARN Clc1ccc(Cc2nc(-c3ccc(Br)o3)no2)cc1 ZINC000001426576 209746750 /nfs/dbraw/zinc/74/67/50/209746750.db2.gz MVLYIGAEXWUWPZ-UHFFFAOYSA-N 0 0 339.576 4.336 50 0 EIAARN CC(C)(NC(=O)Cc1cccc2ccccc21)[C@H](O)c1ccccc1 ZINC000039248436 213233315 /nfs/dbraw/zinc/23/33/15/213233315.db2.gz WJXDSHWLGMVTSR-OAQYLSRUSA-N 0 0 333.431 4.011 50 0 EIAARN Cc1cccc(OCc2nc(-c3cc(C)nc4ccccc43)no2)c1 ZINC000001423717 209745761 /nfs/dbraw/zinc/74/57/61/209745761.db2.gz BFYOKHYKAARGBJ-UHFFFAOYSA-N 0 0 331.375 4.481 50 0 EIAARN FC(F)(F)c1cccc(Cn2nnnc2-c2ccc(Cl)cc2)c1 ZINC000001405209 209741191 /nfs/dbraw/zinc/74/11/91/209741191.db2.gz LRNADKBFOHKUNF-UHFFFAOYSA-N 0 0 338.720 4.061 50 0 EIAARN COc1ccc(C2(CNC(=O)Nc3cccs3)CCCC2)cc1 ZINC000038940193 213230869 /nfs/dbraw/zinc/23/08/69/213230869.db2.gz SIENRWJFZRYQGA-UHFFFAOYSA-N 0 0 330.453 4.390 50 0 EIAARN CC(C)CCn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001321105 209725184 /nfs/dbraw/zinc/72/51/84/209725184.db2.gz KACTZCFJZUDBMJ-GFCCVEGCSA-N 0 0 333.501 4.050 50 0 EIAARN Cn1c2ccccc2nc1-c1cccc(-c2nc3ccccc3n2C)n1 ZINC000038846318 213228319 /nfs/dbraw/zinc/22/83/19/213228319.db2.gz WCPSZOGARLDLBV-UHFFFAOYSA-N 0 0 339.402 4.189 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000001262253 209721606 /nfs/dbraw/zinc/72/16/06/209721606.db2.gz CVPKFQYDKVHCSJ-UHFFFAOYSA-N 0 0 336.775 4.350 50 0 EIAARN CCOC(=O)c1cc2nc(Nc3ccc(OC)cc3)sc2s1 ZINC000001066008 209707562 /nfs/dbraw/zinc/70/75/62/209707562.db2.gz UDCFUICFYDLPDA-UHFFFAOYSA-N 0 0 334.422 4.287 50 0 EIAARN Clc1ccccc1-c1nc(-c2ccc(Br)o2)no1 ZINC000001071789 209709221 /nfs/dbraw/zinc/70/92/21/209709221.db2.gz BBNRKDNAJVDNIW-UHFFFAOYSA-N 0 0 325.549 4.413 50 0 EIAARN CCN(CC)c1ccc(NC(=O)Cc2ccc(OC)cc2)c(C)c1 ZINC000001017101 209701137 /nfs/dbraw/zinc/70/11/37/209701137.db2.gz QIHBBIYTQISISF-UHFFFAOYSA-N 0 0 326.440 4.031 50 0 EIAARN O=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000000732144 209685478 /nfs/dbraw/zinc/68/54/78/209685478.db2.gz PJIWMIUCRHRIPQ-UHFFFAOYSA-N 0 0 327.181 4.114 50 0 EIAARN O=C(Nc1cccs1)Nc1ccccc1NC(=O)c1cccnc1 ZINC000038678833 213220217 /nfs/dbraw/zinc/22/02/17/213220217.db2.gz OSOZUGXAUQNHEX-UHFFFAOYSA-N 0 0 338.392 4.039 50 0 EIAARN O=C(Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2Cl)s1 ZINC000000618153 209682588 /nfs/dbraw/zinc/68/25/88/209682588.db2.gz BKPRMVXQPHFOEY-UHFFFAOYSA-N 0 0 347.802 4.179 50 0 EIAARN Cc1cn(C)nc1C(=O)Nc1nc2c(s1)-c1cccc3cccc-2c13 ZINC000038508384 213212564 /nfs/dbraw/zinc/21/25/64/213212564.db2.gz JEWHOHGXSXVRLW-UHFFFAOYSA-N 0 0 346.415 4.238 50 0 EIAARN COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000610080 209674436 /nfs/dbraw/zinc/67/44/36/209674436.db2.gz JOOTVQWLGUFWKO-LLVKDONJSA-N 0 0 349.839 4.246 50 0 EIAARN CN(C)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000000608554 209673332 /nfs/dbraw/zinc/67/33/32/209673332.db2.gz HYRGELCZDSYXHJ-UHFFFAOYSA-N 0 0 338.432 4.189 50 0 EIAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCC1CCCC1 ZINC000000545896 209659379 /nfs/dbraw/zinc/65/93/79/209659379.db2.gz MBWWJKQNKNHAKM-UHFFFAOYSA-N 0 0 328.412 4.172 50 0 EIAARN CN(C(=O)C1CCCC1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000069809103 215586105 /nfs/dbraw/zinc/58/61/05/215586105.db2.gz JZTHSOZFJKDBSC-GOSISDBHSA-N 0 0 330.378 4.098 50 0 EIAARN CN(C(=O)C1CCCC1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000069809100 215586674 /nfs/dbraw/zinc/58/66/74/215586674.db2.gz JZTHSOZFJKDBSC-SFHVURJKSA-N 0 0 330.378 4.098 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000069780518 215581465 /nfs/dbraw/zinc/58/14/65/215581465.db2.gz FRSUOWICRQEGAX-CQSZACIVSA-N 0 0 326.440 4.224 50 0 EIAARN Cc1cccc(CNC(=O)Cc2ccc(NCc3ccco3)cc2)c1 ZINC000037555072 213157206 /nfs/dbraw/zinc/15/72/06/213157206.db2.gz BFBROCMEANYVGA-UHFFFAOYSA-N 0 0 334.419 4.059 50 0 EIAARN COc1ccc(NC(=O)Cc2ccc(NCc3ccccc3)cc2)cc1 ZINC000037554692 213156185 /nfs/dbraw/zinc/15/61/85/213156185.db2.gz GPLDITUUCMFQGY-UHFFFAOYSA-N 0 0 346.430 4.489 50 0 EIAARN Cc1cccc(Cn2c(C(=O)NCC(C)C)cc3sccc32)c1 ZINC000037526032 213154590 /nfs/dbraw/zinc/15/45/90/213154590.db2.gz NCVYRKMIYPKEKQ-UHFFFAOYSA-N 0 0 326.465 4.445 50 0 EIAARN C/C=C/Cn1c(C(=O)NCc2ccc(F)cc2)cc2sccc21 ZINC000037525873 213154540 /nfs/dbraw/zinc/15/45/40/213154540.db2.gz KQXMYYHYUKKLDM-NSCUHMNNSA-N 0 0 328.412 4.348 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)C1c2ccccc2Oc2ccccc21 ZINC000000476098 209625889 /nfs/dbraw/zinc/62/58/89/209625889.db2.gz XZEBJOUVYWWRDA-UHFFFAOYSA-N 0 0 341.370 4.439 50 0 EIAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1ccco1)CCCCC2 ZINC000000473250 209623228 /nfs/dbraw/zinc/62/32/28/209623228.db2.gz DKMFEWIELGMQPE-UHFFFAOYSA-N 0 0 347.436 4.428 50 0 EIAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccc(Cl)c1 ZINC000000470670 209622784 /nfs/dbraw/zinc/62/27/84/209622784.db2.gz FVRPCSBJXWXJRA-UHFFFAOYSA-N 0 0 336.778 4.092 50 0 EIAARN COC(=O)c1sccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000000473523 209623806 /nfs/dbraw/zinc/62/38/06/209623806.db2.gz DGYZSMNZJNRMNA-UHFFFAOYSA-N 0 0 330.192 4.094 50 0 EIAARN CC1CCC(NC(=O)CSCc2nc3ccccc3s2)CC1 ZINC000036811957 213120455 /nfs/dbraw/zinc/12/04/55/213120455.db2.gz LHGRIJYYIKWRIQ-UHFFFAOYSA-N 0 0 334.510 4.224 50 0 EIAARN O=C(Nc1cccnc1Oc1ccccc1)c1ccc(F)cc1F ZINC000036759561 213117238 /nfs/dbraw/zinc/11/72/38/213117238.db2.gz SNIMAHAOEFWWFC-UHFFFAOYSA-N 0 0 326.302 4.404 50 0 EIAARN COC(=O)c1ccc(OC)cc1OCc1ccc(C(F)(F)F)cc1 ZINC000036719668 213113743 /nfs/dbraw/zinc/11/37/43/213113743.db2.gz VGPNPTLMBZYMJD-UHFFFAOYSA-N 0 0 340.297 4.080 50 0 EIAARN CSc1nnc2c(n1)O[C@H](c1ccccc1C)Nc1ccccc1-2 ZINC000000457988 209612773 /nfs/dbraw/zinc/61/27/73/209612773.db2.gz MTNQYPOREHIBEJ-MRXNPFEDSA-N 0 0 336.420 4.072 50 0 EIAARN O=C(Cn1c2ccccc2c2c1CCC2)Nc1cc(F)ccc1F ZINC000036708628 213112002 /nfs/dbraw/zinc/11/20/02/213112002.db2.gz WTWHSPFFJGZANN-UHFFFAOYSA-N 0 0 326.346 4.047 50 0 EIAARN COc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc(OC)c1 ZINC000036621094 213105102 /nfs/dbraw/zinc/10/51/02/213105102.db2.gz CMFSDCXWKAUCHW-LJQANCHMSA-N 0 0 340.423 4.381 50 0 EIAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000036621040 213104822 /nfs/dbraw/zinc/10/48/22/213104822.db2.gz DZTJLIHWBNOVJA-IBGZPJMESA-N 0 0 340.423 4.463 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c(OC)c1 ZINC000036620874 213104918 /nfs/dbraw/zinc/10/49/18/213104918.db2.gz AKOVWVYQDXHXQO-SFHVURJKSA-N 0 0 340.423 4.381 50 0 EIAARN O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1ccccc1F ZINC000036620912 213104584 /nfs/dbraw/zinc/10/45/84/213104584.db2.gz QBDXECALDHBROM-HNNXBMFYSA-N 0 0 339.819 4.005 50 0 EIAARN CCn1cc(-c2cc(C(F)(F)F)nc(NCCC(C)C)n2)c(C)n1 ZINC000036618593 213103631 /nfs/dbraw/zinc/10/36/31/213103631.db2.gz HGNCCAIJFDCJFL-UHFFFAOYSA-N 0 0 341.381 4.145 50 0 EIAARN Fc1cccc(OCc2nnc(-c3ccccc3C(F)(F)F)o2)c1 ZINC000036395711 213097135 /nfs/dbraw/zinc/09/71/35/213097135.db2.gz HWORZHGXXLJJGF-UHFFFAOYSA-N 0 0 338.260 4.474 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1snnc1-c1ccccc1 ZINC000036365497 213090721 /nfs/dbraw/zinc/09/07/21/213090721.db2.gz SRKRYYKQSONDRY-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN O=C1C[C@@H](c2cccnc2)c2ncn(-c3ccc(F)c(Cl)c3)c2N1 ZINC000036366937 213090662 /nfs/dbraw/zinc/09/06/62/213090662.db2.gz LDXMODJCEJLYGQ-LBPRGKRZSA-N 0 0 342.761 4.183 50 0 EIAARN COc1ccccc1[C@H]1CC(=O)Nc2c1ncn2-c1ccccc1F ZINC000036359782 213089826 /nfs/dbraw/zinc/08/98/26/213089826.db2.gz VUOSRTDVCDBLLO-CYBMUJFWSA-N 0 0 337.354 4.144 50 0 EIAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1ncn2-c1ccc(F)cc1 ZINC000036359962 213089545 /nfs/dbraw/zinc/08/95/45/213089545.db2.gz SHXPUIMXDZXZFC-HNNXBMFYSA-N 0 0 337.354 4.144 50 0 EIAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccccc2F)cc1 ZINC000036359621 213089712 /nfs/dbraw/zinc/08/97/12/213089712.db2.gz ZHVVXMCSUDVOEZ-OAHLLOKOSA-N 0 0 337.354 4.144 50 0 EIAARN Cc1ccc(NC(=O)N2CCC[C@@H](OCc3cccc(F)c3)C2)cc1 ZINC000036315839 213084633 /nfs/dbraw/zinc/08/46/33/213084633.db2.gz HLGSEEJXONEPFR-LJQANCHMSA-N 0 0 342.414 4.347 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cc(C(C)C)nc3onc(C)c32)c1 ZINC000036356992 213088818 /nfs/dbraw/zinc/08/88/18/213088818.db2.gz ZNWWMFDGEHBIKU-UHFFFAOYSA-N 0 0 337.379 4.110 50 0 EIAARN Clc1cc(Cl)cc(-c2nnc3sc(-c4ccncc4)nn32)c1 ZINC000036357364 213088713 /nfs/dbraw/zinc/08/87/13/213088713.db2.gz RKEGJPGJOXNVOJ-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N(CC)CC)C(C)=O ZINC000036249106 213079113 /nfs/dbraw/zinc/07/91/13/213079113.db2.gz URWDNEHOWPTUMS-UHFFFAOYSA-N 0 0 347.434 4.085 50 0 EIAARN CCNC(=O)N(Cc1csc(COc2ccccc2)n1)[C@H](C)CC ZINC000036115215 213070468 /nfs/dbraw/zinc/07/04/68/213070468.db2.gz MOSATRUUWLYBJN-CQSZACIVSA-N 0 0 347.484 4.052 50 0 EIAARN CCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)CC ZINC000036114748 213069999 /nfs/dbraw/zinc/06/99/99/213069999.db2.gz DQUVSUTUQUXCDO-UHFFFAOYSA-N 0 0 332.469 4.179 50 0 EIAARN CCCN(Cc1csc(COc2ccccc2)n1)C(=O)C(C)C ZINC000036114607 213069824 /nfs/dbraw/zinc/06/98/24/213069824.db2.gz OOXKSRFEYSMWOI-UHFFFAOYSA-N 0 0 332.469 4.117 50 0 EIAARN CC(C)CC(=O)N(Cc1csc(COc2ccccc2)n1)C1CC1 ZINC000036114577 213070255 /nfs/dbraw/zinc/07/02/55/213070255.db2.gz AQLIKIACKQWBEC-UHFFFAOYSA-N 0 0 344.480 4.259 50 0 EIAARN Cc1cccc(OCc2nc(C(=O)N3CCC(C)CC3)cs2)c1C ZINC000036084438 213062146 /nfs/dbraw/zinc/06/21/46/213062146.db2.gz DWTLJKZMACWJBY-UHFFFAOYSA-N 0 0 344.480 4.211 50 0 EIAARN COc1cc(OC)cc(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000000440668 209601273 /nfs/dbraw/zinc/60/12/73/209601273.db2.gz FOGQPQUPSOUSKC-UHFFFAOYSA-N 0 0 347.414 4.223 50 0 biogenic EIAARN CCN(Cc1cc(-c2cccc(OC)c2)on1)C(=O)c1cccs1 ZINC000036012298 213055648 /nfs/dbraw/zinc/05/56/48/213055648.db2.gz KSDULGTZQSDQDR-UHFFFAOYSA-N 0 0 342.420 4.074 50 0 EIAARN CCc1nc2c(c(C)nn2-c2ccccc2Cl)c(NCC(C)C)n1 ZINC000035988502 213054436 /nfs/dbraw/zinc/05/44/36/213054436.db2.gz MSUKVORBYADGDB-UHFFFAOYSA-N 0 0 343.862 4.408 50 0 EIAARN Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000441624 209600977 /nfs/dbraw/zinc/60/09/77/209600977.db2.gz PGCULNYMDLOJPI-LBPRGKRZSA-N 0 0 338.234 4.386 50 0 EIAARN O=C(c1cccs1)N1CCn2cccc2[C@H]1c1ccccc1Cl ZINC000035818430 213050268 /nfs/dbraw/zinc/05/02/68/213050268.db2.gz FSLPXSMGUNMITK-QGZVFWFLSA-N 0 0 342.851 4.448 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2ccc(COc3ccc(F)cc3)o2)o1 ZINC000035903408 213052087 /nfs/dbraw/zinc/05/20/87/213052087.db2.gz UGKCURWWMBXKNP-UHFFFAOYSA-N 0 0 343.354 4.171 50 0 EIAARN Cc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn32)c(C)c1 ZINC000035622720 213043192 /nfs/dbraw/zinc/04/31/92/213043192.db2.gz MASBTVJSVUYQPP-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN CCCNc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc21 ZINC000035560828 213038048 /nfs/dbraw/zinc/03/80/48/213038048.db2.gz PKUCLTKJJYJFBO-UHFFFAOYSA-N 0 0 345.406 4.477 50 0 EIAARN O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccccn1 ZINC000035539863 213037412 /nfs/dbraw/zinc/03/74/12/213037412.db2.gz FHTVORGMQULAFK-UHFFFAOYSA-N 0 0 334.379 4.042 50 0 EIAARN CCCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035505039 213033453 /nfs/dbraw/zinc/03/34/53/213033453.db2.gz BMYDXANOAGRVNC-UHFFFAOYSA-N 0 0 341.842 4.268 50 0 EIAARN CCCNC(=O)Nc1cccc(-c2noc(-c3ccccc3C)n2)c1 ZINC000035481890 213032568 /nfs/dbraw/zinc/03/25/68/213032568.db2.gz XGFFOGKKMOSGNM-UHFFFAOYSA-N 0 0 336.395 4.244 50 0 EIAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)Nc1ccc(F)cc1 ZINC000035536199 213036363 /nfs/dbraw/zinc/03/63/63/213036363.db2.gz ZLTNZVKSELACLC-UHFFFAOYSA-N 0 0 332.281 4.320 50 0 EIAARN c1nc2cc(-c3noc(-c4ccccn4)n3)ccc2n1C1CCCC1 ZINC000035453716 213028756 /nfs/dbraw/zinc/02/87/56/213028756.db2.gz QWAWIVDAUPOOHC-UHFFFAOYSA-N 0 0 331.379 4.263 50 0 EIAARN CC[C@H]1Cn2c(C(=O)N3CCCCC3)cc3c2c(ccc3Cl)O1 ZINC000035477518 213031584 /nfs/dbraw/zinc/03/15/84/213031584.db2.gz SFYKKWHXMPMKSU-LBPRGKRZSA-N 0 0 332.831 4.092 50 0 EIAARN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000035476415 213030892 /nfs/dbraw/zinc/03/08/92/213030892.db2.gz DQKYNJINVZHCDW-SFHVURJKSA-N 0 0 329.465 4.138 50 0 EIAARN CC[C@H](C)NC(=O)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430105 213026703 /nfs/dbraw/zinc/02/67/03/213026703.db2.gz GDOBORXAUXUZSF-LBPRGKRZSA-N 0 0 338.386 4.041 50 0 EIAARN COc1cc(OC)c(NC(=O)n2ncc3ccc(C)cc32)cc1Cl ZINC000035422290 213027727 /nfs/dbraw/zinc/02/77/27/213027727.db2.gz DHOCJJOCUXWBPY-UHFFFAOYSA-N 0 0 345.786 4.096 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000035318722 213021479 /nfs/dbraw/zinc/02/14/79/213021479.db2.gz NSWZBYLRJGOFGF-SFHVURJKSA-N 0 0 347.418 4.331 50 0 EIAARN O=C(/C=C\c1cccc(Cl)c1)OCc1cn2cc(Cl)ccc2n1 ZINC000035201901 213014632 /nfs/dbraw/zinc/01/46/32/213014632.db2.gz BSWFIUKXQUULRG-DAXSKMNVSA-N 0 0 347.201 4.398 50 0 EIAARN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(F)cc1 ZINC000071326693 215761488 /nfs/dbraw/zinc/76/14/88/215761488.db2.gz GRTGZDAZXXKHRA-UHFFFAOYSA-N 0 0 347.459 4.265 50 0 EIAARN Cc1n[nH]c(C)c1NC(=O)CSc1cc(Cl)ccc1Cl ZINC000035127119 213009065 /nfs/dbraw/zinc/00/90/65/213009065.db2.gz VJCUIOHUHPUZEQ-UHFFFAOYSA-N 0 0 330.240 4.064 50 0 EIAARN Cc1[nH]nc2c1[C@H](c1ccccc1OCc1ccc(C)cc1)CC(=O)N2 ZINC000035171112 213011849 /nfs/dbraw/zinc/01/18/49/213011849.db2.gz VJMNCPLEVXTZAW-KRWDZBQOSA-N 0 0 347.418 4.080 50 0 EIAARN Cc1ccccc1NC(=O)N1CCc2c(c3cc(F)ccc3n2C)C1 ZINC000034928499 213001295 /nfs/dbraw/zinc/00/12/95/213001295.db2.gz YRBNWVKRHZFNMR-UHFFFAOYSA-N 0 0 337.398 4.216 50 0 EIAARN Cc1csc([C@@H](C)n2ccnc2-c2ccc(-c3cc[nH]n3)s2)n1 ZINC000071498242 215782693 /nfs/dbraw/zinc/78/26/93/215782693.db2.gz NUVOUFBWXUOUBA-LLVKDONJSA-N 0 0 341.465 4.376 50 0 EIAARN CCc1cc(NC(=O)c2cc(C)cs2)nn1-c1cccc(C)c1 ZINC000034907422 212997608 /nfs/dbraw/zinc/99/76/08/212997608.db2.gz OJEQBEXSCMVGAV-UHFFFAOYSA-N 0 0 325.437 4.365 50 0 EIAARN COc1cccc(-c2ccc3oc([C@H]4CCCN4C(C)=O)nc3c2)c1 ZINC000034907952 212997070 /nfs/dbraw/zinc/99/70/70/212997070.db2.gz HLGGEJSWXUSXJF-GOSISDBHSA-N 0 0 336.391 4.187 50 0 EIAARN CC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000034797425 212988525 /nfs/dbraw/zinc/98/85/25/212988525.db2.gz RRHKBUYXWWDYGZ-ZOCIIQOWSA-N 0 0 331.456 4.305 50 0 EIAARN CCc1[nH]nc(-c2ccsc2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000034796548 212988477 /nfs/dbraw/zinc/98/84/77/212988477.db2.gz NUMZLUNFTULXID-UHFFFAOYSA-N 0 0 333.363 4.231 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)cc1O ZINC000071738737 215801244 /nfs/dbraw/zinc/80/12/44/215801244.db2.gz MCLYHOCGQXZNES-QGZVFWFLSA-N 0 0 341.426 4.325 50 0 EIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000033982214 212971245 /nfs/dbraw/zinc/97/12/45/212971245.db2.gz XPKVLOSMAOEFKN-INIZCTEOSA-N 0 0 339.819 4.005 50 0 EIAARN O=C(C=Cc1ccco1)OCC(=O)c1ccc(Cl)cc1Cl ZINC000033626430 212957249 /nfs/dbraw/zinc/95/72/49/212957249.db2.gz RCMZLYPIHFJJKC-XQRVVYSFSA-N 0 0 325.147 4.026 50 0 EIAARN O=C(Cc1ccc2c(c1)CCC2)O[C@H](c1ccccc1)c1ccccn1 ZINC000071834004 215864816 /nfs/dbraw/zinc/86/48/16/215864816.db2.gz DMOXHCMUNIDECE-HSZRJFAPSA-N 0 0 343.426 4.446 50 0 EIAARN CCCS(=O)(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000033169156 212904469 /nfs/dbraw/zinc/90/44/69/212904469.db2.gz CZVGFRWZZWCQBV-UHFFFAOYSA-N 0 0 346.477 4.423 50 0 EIAARN CC(C)CNC(=O)c1cccc(-c2ccc(Oc3ccccc3)nn2)c1 ZINC000033131090 212901793 /nfs/dbraw/zinc/90/17/93/212901793.db2.gz NUIMTCAECUCGEN-UHFFFAOYSA-N 0 0 347.418 4.322 50 0 EIAARN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2S1 ZINC000033059184 212893346 /nfs/dbraw/zinc/89/33/46/212893346.db2.gz ZOLLPABBXUNKLW-LBPRGKRZSA-N 0 0 332.856 4.279 50 0 EIAARN O=C(Nc1ccc(F)cc1F)N[C@@H](c1ccccc1)c1ccccn1 ZINC000033040353 212892892 /nfs/dbraw/zinc/89/28/92/212892892.db2.gz FYZXDUJFTRHCAQ-SFHVURJKSA-N 0 0 339.345 4.271 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F ZINC000071857417 215887380 /nfs/dbraw/zinc/88/73/80/215887380.db2.gz QWHBTGFIHDYPJW-UHFFFAOYSA-N 0 0 332.322 4.401 50 0 EIAARN c1ccc(CSc2nnc(-c3nnc(-c4ccccc4)o3)o2)cc1 ZINC000032922502 212872955 /nfs/dbraw/zinc/87/29/55/212872955.db2.gz GULNECZTYRJAFY-UHFFFAOYSA-N 0 0 336.376 4.079 50 0 EIAARN CC(=O)c1ccc(-n2nncc2-c2cc(Cl)ccc2Cl)cc1 ZINC000032929421 212874892 /nfs/dbraw/zinc/87/48/92/212874892.db2.gz LXIAKKBCFYTXPW-UHFFFAOYSA-N 0 0 332.190 4.444 50 0 EIAARN COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1OC(F)F ZINC000032905591 212866004 /nfs/dbraw/zinc/86/60/04/212866004.db2.gz YVQZZTYCJSNEII-UHFFFAOYSA-N 0 0 345.704 4.341 50 0 EIAARN c1[nH]nc2ccc(Nc3nc(-c4ccncc4)nc4ccccc43)cc12 ZINC000032899820 212863743 /nfs/dbraw/zinc/86/37/43/212863743.db2.gz WXEKBUNGQDJYHG-UHFFFAOYSA-N 0 0 338.374 4.312 50 0 EIAARN COCc1cccc(C(=O)OCc2nc(-c3ccccc3)oc2C)c1 ZINC000032893130 212861835 /nfs/dbraw/zinc/86/18/35/212861835.db2.gz UIMIYDYGLWLJRE-UHFFFAOYSA-N 0 0 337.375 4.153 50 0 EIAARN Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c(O)c1 ZINC000032911049 212868286 /nfs/dbraw/zinc/86/82/86/212868286.db2.gz VHQWHZFHKAESPU-OAQYLSRUSA-N 0 0 346.382 4.482 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1SCC(F)(F)F ZINC000032907861 212867772 /nfs/dbraw/zinc/86/77/72/212867772.db2.gz ABPZNVXLNUGNID-PWSUYJOCSA-N 0 0 332.391 4.045 50 0 EIAARN C[C@H](OCCCNC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000032907562 212867511 /nfs/dbraw/zinc/86/75/11/212867511.db2.gz FCAMDJUNKVSPJT-ZDUSSCGKSA-N 0 0 335.806 4.377 50 0 EIAARN Cc1nnc([C@H](C)Nc2ccc(OCc3ccccc3F)cc2)o1 ZINC000071902638 215944714 /nfs/dbraw/zinc/94/47/14/215944714.db2.gz LEZDWXALLCICGL-LBPRGKRZSA-N 0 0 327.359 4.269 50 0 EIAARN CCOc1ccc(OC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1 ZINC000032798057 212845472 /nfs/dbraw/zinc/84/54/72/212845472.db2.gz DGSZEYXVBRMESQ-UHFFFAOYSA-N 0 0 338.363 4.027 50 0 EIAARN CCCC[C@H](CC)CNC(=O)N1CCN(c2ccccc2C)CC1 ZINC000032801794 212844928 /nfs/dbraw/zinc/84/49/28/212844928.db2.gz GJPCWDNPCIUNCL-SFHVURJKSA-N 0 0 331.504 4.043 50 0 EIAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000032777332 212840451 /nfs/dbraw/zinc/84/04/51/212840451.db2.gz JMNVOCYFIGYPJE-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CCCc1ccc([C@@H](NC(=O)C2CCOCC2)c2cccs2)cc1 ZINC000032745055 212833074 /nfs/dbraw/zinc/83/30/74/212833074.db2.gz NWKRONQOPDTDFU-LJQANCHMSA-N 0 0 343.492 4.333 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1Cl ZINC000032593911 212813833 /nfs/dbraw/zinc/81/38/33/212813833.db2.gz NXXAEIHADULXFO-UHFFFAOYSA-N 0 0 325.195 4.430 50 0 EIAARN Cc1csc(-c2ccc(NC(=O)N[C@@H](C)c3ccncc3)cc2)n1 ZINC000072076353 216003357 /nfs/dbraw/zinc/00/33/57/216003357.db2.gz QMXDUGCBRHRVLD-ZDUSSCGKSA-N 0 0 338.436 4.396 50 0 EIAARN CCc1c(C)sc2nc(Cl)n3nc(Cc4ccccc4)nc3c12 ZINC000032106463 212790051 /nfs/dbraw/zinc/79/00/51/212790051.db2.gz IWCGKHAXZMKJJK-UHFFFAOYSA-N 0 0 342.855 4.454 50 0 EIAARN CC(C)c1nccc(CN2CCN(c3ccc4ccccc4c3)CC2)n1 ZINC000072129136 216018656 /nfs/dbraw/zinc/01/86/56/216018656.db2.gz YVNNROHJDTVMAP-UHFFFAOYSA-N 0 0 346.478 4.075 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nn1 ZINC000072117631 216013002 /nfs/dbraw/zinc/01/30/02/216013002.db2.gz GOXSLMZLYLRURJ-UHFFFAOYSA-N 0 0 333.391 4.446 50 0 EIAARN Oc1ccc(-c2ccc(-c3nc(Cc4ccccc4)no3)cn2)cc1 ZINC000072121113 216014301 /nfs/dbraw/zinc/01/43/01/216014301.db2.gz VCLNLJKLSPQGGB-UHFFFAOYSA-N 0 0 329.359 4.095 50 0 EIAARN COc1cc(OC)c(CN2CCCCC[C@H]2c2ccco2)c(OC)c1 ZINC000072135331 216023083 /nfs/dbraw/zinc/02/30/83/216023083.db2.gz OQFCYEJTGYWOPS-KRWDZBQOSA-N 0 0 345.439 4.423 50 0 EIAARN CC[C@@H](Nc1nc(C2CCCC2)nc2c1CNC2)c1cc(C)ccn1 ZINC000072145499 216032473 /nfs/dbraw/zinc/03/24/73/216032473.db2.gz WZLLKTDSAMEXSP-MRXNPFEDSA-N 0 0 337.471 4.004 50 0 EIAARN Cc1ccc2cccnc2c1OCc1nc(CCc2ccccc2)no1 ZINC000072147955 216034604 /nfs/dbraw/zinc/03/46/04/216034604.db2.gz QGJRGFAMQLNFAG-UHFFFAOYSA-N 0 0 345.402 4.290 50 0 EIAARN COc1ccccc1CC(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000031805557 212748671 /nfs/dbraw/zinc/74/86/71/212748671.db2.gz QRXDOZPQWJTMOW-LJQANCHMSA-N 0 0 329.465 4.347 50 0 EIAARN CC[C@@H](NC(=O)c1cccc(COC)c1)c1ccccc1OC(F)F ZINC000031755826 212746521 /nfs/dbraw/zinc/74/65/21/212746521.db2.gz HVQKMMKNJFDAPO-MRXNPFEDSA-N 0 0 349.377 4.316 50 0 EIAARN Oc1ccc(-c2ccc(-c3nc(CCc4ccccc4)no3)cn2)cc1 ZINC000072167488 216058055 /nfs/dbraw/zinc/05/80/55/216058055.db2.gz HEHPLUVLVWORDK-UHFFFAOYSA-N 0 0 343.386 4.289 50 0 EIAARN C[C@H](NS(=O)(=O)CC1CCCCC1)c1ccc2ccccc2c1 ZINC000072230396 216070542 /nfs/dbraw/zinc/07/05/42/216070542.db2.gz GFOBUJKDZPGNHP-HNNXBMFYSA-N 0 0 331.481 4.401 50 0 EIAARN Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccco1 ZINC000000411263 209574172 /nfs/dbraw/zinc/57/41/72/209574172.db2.gz ULWPNYOWSYXXIR-UHFFFAOYSA-N 0 0 326.377 4.154 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1cnc(C)c(Cl)c1C ZINC000072265136 216087705 /nfs/dbraw/zinc/08/77/05/216087705.db2.gz DVNXCCLCJQEJCU-UHFFFAOYSA-N 0 0 325.195 4.266 50 0 EIAARN COc1ccc(OC)c(NC(=O)Oc2ccc(F)cc2Cl)c1 ZINC000000400293 209570051 /nfs/dbraw/zinc/57/00/51/209570051.db2.gz CBSUVDXOQCQAIL-UHFFFAOYSA-N 0 0 325.723 4.107 50 0 EIAARN Clc1cccc(Cc2nn3c(nnc3-c3ccccc3)s2)c1 ZINC000000385039 209563754 /nfs/dbraw/zinc/56/37/54/209563754.db2.gz QFJUMDJPRICFLR-UHFFFAOYSA-N 0 0 326.812 4.097 50 0 EIAARN Cc1cc(C)cc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)c1 ZINC000000385320 209563167 /nfs/dbraw/zinc/56/31/67/209563167.db2.gz JKWBSWGWKSSJQR-UHFFFAOYSA-N 0 0 338.411 4.200 50 0 EIAARN Cc1cccc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)c1 ZINC000000383611 209561933 /nfs/dbraw/zinc/56/19/33/209561933.db2.gz OOWLNQQNTGHQJP-UHFFFAOYSA-N 0 0 332.355 4.433 50 0 EIAARN Cc1nc2sc3c(c2c(Oc2ccc4c(c2)OCO4)n1)CCC3 ZINC000000390116 209566208 /nfs/dbraw/zinc/56/62/08/209566208.db2.gz XOTDIIUVDCTBGW-UHFFFAOYSA-N 0 0 326.377 4.009 50 0 EIAARN COc1cccc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)c1 ZINC000000377177 209559089 /nfs/dbraw/zinc/55/90/89/209559089.db2.gz FVXOSUBDVIOVQZ-UHFFFAOYSA-N 0 0 349.415 4.324 50 0 EIAARN C[C@H]1C[C@H](NC(=O)c2ccc(Br)s2)CC(C)(C)C1 ZINC000000376616 209558724 /nfs/dbraw/zinc/55/87/24/209558724.db2.gz DFYTWDOEZSZJGX-UWVGGRQHSA-N 0 0 330.291 4.455 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000000355197 209547533 /nfs/dbraw/zinc/54/75/33/209547533.db2.gz VCRXZIDXPFASAE-UHFFFAOYSA-N 0 0 342.424 4.051 50 0 EIAARN COc1cc(NC(=O)CSc2ccccc2)c(OC)cc1Cl ZINC000000318678 209534060 /nfs/dbraw/zinc/53/40/60/209534060.db2.gz ZAULVQNDDZWFIL-UHFFFAOYSA-N 0 0 337.828 4.088 50 0 EIAARN O=C(COc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 ZINC000000316032 209532527 /nfs/dbraw/zinc/53/25/27/209532527.db2.gz PPHDHXGRUSEPCN-UHFFFAOYSA-N 0 0 335.378 4.110 50 0 EIAARN NC(=O)c1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 ZINC000030510571 212699415 /nfs/dbraw/zinc/69/94/15/212699415.db2.gz SUXLBTBHINYPBC-UHFFFAOYSA-N 0 0 340.448 4.073 50 0 EIAARN NC(=O)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000282315 209517645 /nfs/dbraw/zinc/51/76/45/209517645.db2.gz GPYPKGJDNITRCU-IBGZPJMESA-N 0 0 337.467 4.461 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000277289 209516143 /nfs/dbraw/zinc/51/61/43/209516143.db2.gz QSSYRORXXFTVFI-GQCTYLIASA-N 0 0 331.331 4.135 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000000288465 209519386 /nfs/dbraw/zinc/51/93/86/209519386.db2.gz QHAYSFXSECJARX-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1OCC ZINC000000265943 209510961 /nfs/dbraw/zinc/51/09/61/209510961.db2.gz PAERGQQZAWSJBA-UHFFFAOYSA-N 0 0 349.814 4.398 50 0 EIAARN C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccccn1 ZINC000037117652 213133477 /nfs/dbraw/zinc/13/34/77/213133477.db2.gz BXJOICZHLZEIEJ-JTQLQIEISA-N 0 0 326.343 4.185 50 0 EIAARN O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccccc2)N1C1CCCCC1 ZINC000037246089 213135929 /nfs/dbraw/zinc/13/59/29/213135929.db2.gz IRYDNJWLTHHGAO-WOJBJXKFSA-N 0 0 333.431 4.138 50 0 EIAARN Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccco2)cc1C ZINC000029624519 212675241 /nfs/dbraw/zinc/67/52/41/212675241.db2.gz KZZSJOJHINBDHF-UHFFFAOYSA-N 0 0 347.414 4.400 50 0 EIAARN CSc1ccc(NC(=O)N[C@@H](CCCO)c2ccccc2)cc1 ZINC000072294173 216130423 /nfs/dbraw/zinc/13/04/23/216130423.db2.gz MPPMOVXKWZOPLL-KRWDZBQOSA-N 0 0 330.453 4.044 50 0 EIAARN COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(C)cc3)nc1-2 ZINC000000249553 209503598 /nfs/dbraw/zinc/50/35/98/209503598.db2.gz XSGKLHWFHOZEJG-UHFFFAOYSA-N 0 0 336.416 4.284 50 0 EIAARN COCCNc1ccccc1CNC(=O)Nc1cccc2ccccc21 ZINC000072306218 216144982 /nfs/dbraw/zinc/14/49/82/216144982.db2.gz TWGUVTTYDVOOIK-UHFFFAOYSA-N 0 0 349.434 4.220 50 0 EIAARN Cc1ccc2c(ccn2CCC(=O)Nc2cccc3c2ccn3C)c1 ZINC000072324591 216151568 /nfs/dbraw/zinc/15/15/68/216151568.db2.gz UMNBTGJGQOXJPP-UHFFFAOYSA-N 0 0 331.419 4.470 50 0 biogenic EIAARN CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2OC)cc1 ZINC000072331751 216155304 /nfs/dbraw/zinc/15/53/04/216155304.db2.gz GMXODXVELJXFHZ-UHFFFAOYSA-N 0 0 333.815 4.067 50 0 EIAARN Cc1c2cccc(F)c2oc1C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000029330397 212662778 /nfs/dbraw/zinc/66/27/78/212662778.db2.gz LNOFLFSXMLZJKR-UHFFFAOYSA-N 0 0 337.354 4.029 50 0 EIAARN Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 ZINC000000222331 209494156 /nfs/dbraw/zinc/49/41/56/209494156.db2.gz CRWSCNNBAURXLK-CABCVRRESA-N 0 0 346.221 4.126 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1 ZINC000029102926 212651315 /nfs/dbraw/zinc/65/13/15/212651315.db2.gz PGVWDXXXJDVQML-UHFFFAOYSA-N 0 0 342.468 4.042 50 0 EIAARN COc1ccccc1-c1ccc2c(c1)c(CC(N)=O)cn2CC(C)C ZINC000028888287 212641816 /nfs/dbraw/zinc/64/18/16/212641816.db2.gz VVFSMYPKXKRBFB-UHFFFAOYSA-N 0 0 336.435 4.001 50 0 EIAARN Cn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(=O)C(C)(C)C ZINC000000201098 209481213 /nfs/dbraw/zinc/48/12/13/209481213.db2.gz LDEUBYHHIMLMQC-KRWDZBQOSA-N 0 0 335.451 4.019 50 0 EIAARN Cc1n[nH]c(C)c1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000129529722 223066449 /nfs/dbraw/zinc/06/64/49/223066449.db2.gz RLXSHPGGETXZOU-UHFFFAOYSA-N 0 0 344.212 4.195 50 0 EIAARN CCOc1ccc(/C=C2\N=C(/C=C/c3ccccc3OC)OC2=O)cc1 ZINC000000176981 209466157 /nfs/dbraw/zinc/46/61/57/209466157.db2.gz RIKPUJZVZSBBID-LQZBDKQGSA-N 0 0 349.386 4.104 50 0 EIAARN O=C(c1ccc(Cl)cc1)[C@@H](Oc1ccc(Cl)cc1)n1cncn1 ZINC000000179824 209467935 /nfs/dbraw/zinc/46/79/35/209467935.db2.gz VWGSPJTUAWVQHY-MRXNPFEDSA-N 0 0 348.189 4.045 50 0 EIAARN FC(F)(F)c1cc(-c2ccncc2)nc2cc(-c3ccccc3)nn21 ZINC000000170923 209461416 /nfs/dbraw/zinc/46/14/16/209461416.db2.gz ROKRLCWLBIQUSS-UHFFFAOYSA-N 0 0 340.308 4.477 50 0 EIAARN O=C(COC(=O)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000000166404 209460572 /nfs/dbraw/zinc/46/05/72/209460572.db2.gz NQJPFBYAIKFAHQ-UHFFFAOYSA-N 0 0 327.138 4.172 50 0 EIAARN O=C(Nc1cccnc1Oc1ccc2c(c1)NC(=O)CC2)C1CCC1 ZINC000072404530 216195806 /nfs/dbraw/zinc/19/58/06/216195806.db2.gz TUORZUOXPOXPAO-UHFFFAOYSA-N 0 0 337.379 4.147 50 0 EIAARN Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc4cc[nH]c4c3)c2)n1 ZINC000072404520 216196206 /nfs/dbraw/zinc/19/62/06/216196206.db2.gz QNQNINNYJLXIMV-UHFFFAOYSA-N 0 0 330.391 4.223 50 0 EIAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(Br)c2)c1C ZINC000000144579 209447955 /nfs/dbraw/zinc/44/79/55/209447955.db2.gz NSVJTKXCUODDDO-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000000144067 209447288 /nfs/dbraw/zinc/44/72/88/209447288.db2.gz QCGLWDJTQWUYNQ-UHFFFAOYSA-N 0 0 334.350 4.330 50 0 EIAARN CCCc1nc(C)sc1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000072402174 216194089 /nfs/dbraw/zinc/19/40/89/216194089.db2.gz BSONQPHKJKWHRD-UHFFFAOYSA-N 0 0 344.465 4.175 50 0 EIAARN CCCc1nc(C)sc1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000072402671 216194569 /nfs/dbraw/zinc/19/45/69/216194569.db2.gz NMBJSFNLBJFVQG-UHFFFAOYSA-N 0 0 344.465 4.175 50 0 EIAARN COc1cccc(-c2c(OC)cccc2[C@@H]2CCCCN(C)C2=O)c1 ZINC000000136417 209442971 /nfs/dbraw/zinc/44/29/71/209442971.db2.gz QMRJPLKYQKRNTO-SFHVURJKSA-N 0 0 339.435 4.097 50 0 EIAARN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1Cl ZINC000000130193 209438835 /nfs/dbraw/zinc/43/88/35/209438835.db2.gz WLAKMIIMUOJSRD-UHFFFAOYSA-N 0 0 330.815 4.074 50 0 EIAARN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC ZINC000000101561 209420445 /nfs/dbraw/zinc/42/04/45/209420445.db2.gz HALSRJIYUZLPOS-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 biogenic,in-vitro EIAARN Cc1ccc(N2C(=O)N(c3ccccc3)C(=N)C2=S)cc1Cl ZINC000000100015 209420475 /nfs/dbraw/zinc/42/04/75/209420475.db2.gz PMBRCSLIQHMSAN-UHFFFAOYSA-N 0 0 329.812 4.400 50 0 EIAARN Cc1ccnc(NC(=O)c2ccc(COc3cc(C)ccc3C)o2)c1 ZINC000028234999 212608888 /nfs/dbraw/zinc/60/88/88/212608888.db2.gz MPEFVNPYCGAIOL-UHFFFAOYSA-N 0 0 336.391 4.431 50 0 EIAARN O=C(NCCc1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 ZINC000000081199 209406949 /nfs/dbraw/zinc/40/69/49/209406949.db2.gz VVSBQUDTUBNUGH-UHFFFAOYSA-N 0 0 347.389 4.422 50 0 EIAARN c1c[nH]c(-c2nccn2CC2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000072423810 216213392 /nfs/dbraw/zinc/21/33/92/216213392.db2.gz RRFRBJISQRASGA-UHFFFAOYSA-N 0 0 346.438 4.124 50 0 EIAARN FC(F)(F)c1cccc(NC(=S)N2CCc3ccccc3C2)c1 ZINC000000067400 209398738 /nfs/dbraw/zinc/39/87/38/209398738.db2.gz BFDSCNDZBCODCO-UHFFFAOYSA-N 0 0 336.382 4.461 50 0 EIAARN COc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1F ZINC000000064305 209396776 /nfs/dbraw/zinc/39/67/76/209396776.db2.gz VMSBJLFPIBCHFI-UHFFFAOYSA-N 0 0 344.367 4.430 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1Cl ZINC000000063529 209395726 /nfs/dbraw/zinc/39/57/26/209395726.db2.gz NXWACSZGSGLKBU-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000000059663 209394350 /nfs/dbraw/zinc/39/43/50/209394350.db2.gz ZOOCKISDWQRWER-OAHLLOKOSA-N 0 0 334.238 4.228 50 0 EIAARN COc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1 ZINC000000057974 209392751 /nfs/dbraw/zinc/39/27/51/209392751.db2.gz BJRAVYIGDWDTIC-UHFFFAOYSA-N 0 0 331.165 4.231 50 0 EIAARN CSc1nc2c3ccccc3n(C(C)=O)c2n1Cc1ccccc1 ZINC000000054277 209392314 /nfs/dbraw/zinc/39/23/14/209392314.db2.gz NETXQMJNMKRAHM-UHFFFAOYSA-N 0 0 335.432 4.421 50 0 EIAARN C[C@H]1CCCN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)C1 ZINC000028226919 212606091 /nfs/dbraw/zinc/60/60/91/212606091.db2.gz ISWJIORLRCNOSS-HNNXBMFYSA-N 0 0 339.435 4.219 50 0 EIAARN O=S1(=O)N=C(NC2CCCCCCCCCCC2)c2ccccc21 ZINC000000054188 209391586 /nfs/dbraw/zinc/39/15/86/209391586.db2.gz CKQBMTMTQYXULD-UHFFFAOYSA-N 0 0 348.512 4.398 50 0 EIAARN Cc1cccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)[nH]n2)c1C ZINC000072427503 216218847 /nfs/dbraw/zinc/21/88/47/216218847.db2.gz OURJVWWLPFTIHG-UHFFFAOYSA-N 0 0 335.407 4.268 50 0 EIAARN Cc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c(C)n1 ZINC000072430369 216222073 /nfs/dbraw/zinc/22/20/73/216222073.db2.gz BIHICJKRUNLRJJ-UHFFFAOYSA-N 0 0 329.407 4.249 50 0 EIAARN Cc1ccc(Oc2cccc(C(=O)Nc3cc(F)ccc3F)c2)nn1 ZINC000072437835 216232548 /nfs/dbraw/zinc/23/25/48/216232548.db2.gz YNBXITUHOISNHZ-UHFFFAOYSA-N 0 0 341.317 4.108 50 0 EIAARN O=C(N[C@H](c1nccs1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000129740294 223087008 /nfs/dbraw/zinc/08/70/08/223087008.db2.gz JLCFNZCUPMYEHX-AWEZNQCLSA-N 0 0 336.407 4.174 50 0 EIAARN CC(C)Cn1nccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000027970418 212589527 /nfs/dbraw/zinc/58/95/27/212589527.db2.gz DGJSLERPLWBVBS-UHFFFAOYSA-N 0 0 336.439 4.152 50 0 EIAARN S=c1scnn1CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000027507028 212559902 /nfs/dbraw/zinc/55/99/02/212559902.db2.gz VSWOMUCRRYQXMD-LLVKDONJSA-N 0 0 348.522 4.121 50 0 EIAARN Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)sc1C ZINC000026383385 212516649 /nfs/dbraw/zinc/51/66/49/212516649.db2.gz BEJNJZULHSOYJO-GOSISDBHSA-N 0 0 345.464 4.263 50 0 EIAARN CC(=O)Nc1ccc(C)cc1NCc1ncc(-c2cccs2)o1 ZINC000072912240 216327817 /nfs/dbraw/zinc/32/78/17/216327817.db2.gz RUFXKEKYXCLLIB-UHFFFAOYSA-N 0 0 327.409 4.282 50 0 EIAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2O1 ZINC000025623405 212490432 /nfs/dbraw/zinc/49/04/32/212490432.db2.gz PIHYXGFZZJJXRG-IFMALSPDSA-N 0 0 343.426 4.090 50 0 EIAARN O=C(NCc1ccc(Br)s1)c1ccccc1Cl ZINC000025471967 212484219 /nfs/dbraw/zinc/48/42/19/212484219.db2.gz BODVKQKKCRGDCX-UHFFFAOYSA-N 0 0 330.634 4.094 50 0 EIAARN O=C(Nc1cccc(F)c1)c1ccccc1NC(=O)[C@H]1CC=CCC1 ZINC000025045034 212455970 /nfs/dbraw/zinc/45/59/70/212455970.db2.gz LYBXFMCGLXOGRB-AWEZNQCLSA-N 0 0 338.382 4.373 50 0 EIAARN CCOc1ccc(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 ZINC000024985239 212451789 /nfs/dbraw/zinc/45/17/89/212451789.db2.gz JIBKEPAYSDPXKX-UHFFFAOYSA-N 0 0 347.418 4.269 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1CSc1nncn1C1CC1 ZINC000025006319 212454141 /nfs/dbraw/zinc/45/41/41/212454141.db2.gz XGDSXIJOYUFUFP-UHFFFAOYSA-N 0 0 345.859 4.053 50 0 EIAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000024760004 212437762 /nfs/dbraw/zinc/43/77/62/212437762.db2.gz ZOBFIJHTUIXBKW-UHFFFAOYSA-N 0 0 332.350 4.202 50 0 EIAARN Cc1cc(C)c(-c2csc(NC(=O)C3CCOCC3)n2)cc1C ZINC000024644232 212430097 /nfs/dbraw/zinc/43/00/97/212430097.db2.gz KPRWGBDPSCGAGG-UHFFFAOYSA-N 0 0 330.453 4.100 50 0 EIAARN CC(C)NC(=O)Nc1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000024511161 212423874 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C[C@@H](Sc1nc2ccccc2o1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000022018166 212271117 /nfs/dbraw/zinc/27/11/17/212271117.db2.gz NOCJMNFPWUQURV-ZIAGYGMSSA-N 0 0 340.448 4.228 50 0 EIAARN O=C(/C=C/c1ccco1)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219074200 241363071 /nfs/dbraw/zinc/36/30/71/241363071.db2.gz GPVLINXVNMKLPA-IWAYRVGRSA-N 0 0 331.412 4.139 50 0 EIAARN O=C(c1c(F)cccc1F)N1CCS[C@H](c2cccs2)CC1 ZINC000219480046 241387209 /nfs/dbraw/zinc/38/72/09/241387209.db2.gz WMKUUULCSINFMV-AWEZNQCLSA-N 0 0 339.432 4.347 50 0 EIAARN O=C(Cc1ccc(F)cc1)N1CCS[C@H](c2cccs2)CC1 ZINC000219487389 241389961 /nfs/dbraw/zinc/38/99/61/241389961.db2.gz OJHYWLUXNYURQS-INIZCTEOSA-N 0 0 335.469 4.137 50 0 EIAARN O=C(CCc1ccccc1)N1CCS[C@H](c2cccs2)CC1 ZINC000219488979 241391439 /nfs/dbraw/zinc/39/14/39/241391439.db2.gz HHUYXZVCYCHYCE-KRWDZBQOSA-N 0 0 331.506 4.388 50 0 EIAARN Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCC(C)C)c2c1 ZINC000021934343 212263627 /nfs/dbraw/zinc/26/36/27/212263627.db2.gz BGWGJSGSVYZNQS-UHFFFAOYSA-N 0 0 333.435 4.381 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212005097 /nfs/dbraw/zinc/00/50/97/212005097.db2.gz POUWBPHNPRYRBX-UHFFFAOYSA-N 0 0 347.447 4.129 50 0 EIAARN CCOc1ccc(SCC(=O)Nc2ccccc2OCC)cc1 ZINC000019167375 212003584 /nfs/dbraw/zinc/00/35/84/212003584.db2.gz RCTFTUSEBLGQOW-UHFFFAOYSA-N 0 0 331.437 4.215 50 0 EIAARN CCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc1 ZINC000018203271 211990139 /nfs/dbraw/zinc/99/01/39/211990139.db2.gz HXSCJYPVJVLMTR-AWEZNQCLSA-N 0 0 333.391 4.288 50 0 EIAARN Fc1ccc([C@H](Cn2cnc3ccccc32)NCc2ccccn2)cc1 ZINC000078552693 217073308 /nfs/dbraw/zinc/07/33/08/217073308.db2.gz FQHFNCPZDQCBIZ-FQEVSTJZSA-N 0 0 346.409 4.102 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000078602541 217084157 /nfs/dbraw/zinc/08/41/57/217084157.db2.gz MEFFVKQQZQFGKK-NSHDSACASA-N 0 0 343.452 4.409 50 0 EIAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)cc1 ZINC000078611612 217086629 /nfs/dbraw/zinc/08/66/29/217086629.db2.gz YWNQWWGNGNZZQD-LJQANCHMSA-N 0 0 347.418 4.051 50 0 EIAARN COc1ccccc1CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000017845244 211973197 /nfs/dbraw/zinc/97/31/97/211973197.db2.gz MJRFSZLHXXYJEJ-UHFFFAOYSA-N 0 0 348.446 4.028 50 0 EIAARN C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000078673086 217099602 /nfs/dbraw/zinc/09/96/02/217099602.db2.gz RNYSWRHGNRINSN-SDBXPKJASA-N 0 0 348.727 4.427 50 0 EIAARN Cc1oc(C)c(C(=O)NC[C@@H](C)c2nc3ccccc3s2)c1C ZINC000078714320 217107721 /nfs/dbraw/zinc/10/77/21/217107721.db2.gz KFPGQZUWRJXMAR-SNVBAGLBSA-N 0 0 328.437 4.348 50 0 EIAARN Cc1sc(CN2CCOCC2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000078822831 217129292 /nfs/dbraw/zinc/12/92/92/217129292.db2.gz SBAVREWBEOPFKJ-UHFFFAOYSA-N 0 0 330.497 4.248 50 0 EIAARN Cc1nn2c(nc(N(C)Cc3ccco3)c3ccccc32)c1Cl ZINC000016737890 211931987 /nfs/dbraw/zinc/93/19/87/211931987.db2.gz MKQFRHYJKDEXCC-UHFFFAOYSA-N 0 0 326.787 4.074 50 0 EIAARN COc1cc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc(OC)c1 ZINC000016705948 211931201 /nfs/dbraw/zinc/93/12/01/211931201.db2.gz QIUDBTJDOZTDLO-YEDYPFRDSA-N 0 0 327.380 4.072 50 0 EIAARN COc1ccc(C)nc1NC(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC000136300726 223639065 /nfs/dbraw/zinc/63/90/65/223639065.db2.gz ICWCCQMFEQRHCO-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 EIAARN COC[C@H]1CCCN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000079101323 217192521 /nfs/dbraw/zinc/19/25/21/217192521.db2.gz SXJBVOVEWMIWAN-AWEZNQCLSA-N 0 0 330.453 4.305 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ccco3)cc2)nc1 ZINC000079101731 217193926 /nfs/dbraw/zinc/19/39/26/217193926.db2.gz LAZBGGKSRAHCOV-UHFFFAOYSA-N 0 0 337.379 4.439 50 0 EIAARN O=C(CCCc1nc(-c2ccccc2)no1)Nc1cccc(Cl)c1 ZINC000016200060 211889447 /nfs/dbraw/zinc/88/94/47/211889447.db2.gz CMCCYYGVHYVGKU-UHFFFAOYSA-N 0 0 341.798 4.351 50 0 EIAARN COCCn1ccc2c1cccc2C(=O)Nc1cccc2c1ccn2C ZINC000079192467 217199957 /nfs/dbraw/zinc/19/99/57/217199957.db2.gz CIQZPMLFCFEUMC-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 biogenic EIAARN Cc1cc(Br)c(Nc2nc(Cl)ncc2F)cc1C ZINC000016267966 211892456 /nfs/dbraw/zinc/89/24/56/211892456.db2.gz MUYZFHJDVLDPCF-UHFFFAOYSA-N 0 0 330.588 4.392 50 0 EIAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000016087212 211881585 /nfs/dbraw/zinc/88/15/85/211881585.db2.gz MFZLJJAVCPERHJ-ZDUSSCGKSA-N 0 0 329.396 4.018 50 0 EIAARN Cc1c(C)n(-c2ccccc2C)c2ncn3nc(-c4ccco4)nc3c12 ZINC000015842223 211862578 /nfs/dbraw/zinc/86/25/78/211862578.db2.gz NWPMMTYSNPYNCD-UHFFFAOYSA-N 0 0 343.390 4.253 50 0 EIAARN O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccccc1F ZINC000015839935 211860917 /nfs/dbraw/zinc/86/09/17/211860917.db2.gz VPMOIOCFTZMLEG-SFHVURJKSA-N 0 0 340.785 4.394 50 0 EIAARN COC(=O)c1c(NCc2ccc(F)cc2)onc1-c1ccc(F)cc1 ZINC000015821790 211854645 /nfs/dbraw/zinc/85/46/45/211854645.db2.gz LQUCHSSTYWMNJA-UHFFFAOYSA-N 0 0 344.317 4.019 50 0 EIAARN CCN(CC)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)c(C)c1 ZINC000015786125 211853039 /nfs/dbraw/zinc/85/30/39/211853039.db2.gz VMSYKFHGPZDGLK-QGZVFWFLSA-N 0 0 338.451 4.031 50 0 EIAARN CC1CCN(C(=O)c2ccc(N3CCc4ccccc43)s2)CC1 ZINC000015732288 211848022 /nfs/dbraw/zinc/84/80/22/211848022.db2.gz NAVXQJJFNVQGAW-UHFFFAOYSA-N 0 0 326.465 4.314 50 0 EIAARN Cc1cc(OCC(=O)Nc2nc3c(s2)CCC3)ccc1C(C)C ZINC000015636656 211836282 /nfs/dbraw/zinc/83/62/82/211836282.db2.gz AUDHTHRYOAPTDK-UHFFFAOYSA-N 0 0 330.453 4.081 50 0 EIAARN O=C(Nc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000015436256 211824648 /nfs/dbraw/zinc/82/46/48/211824648.db2.gz CJXARGAYEBHPOR-UHFFFAOYSA-N 0 0 334.219 4.372 50 0 EIAARN CCN1c2ccc(Br)cc2[C@H](Cc2ccccc2F)C1=O ZINC000015018259 211789836 /nfs/dbraw/zinc/78/98/36/211789836.db2.gz XEVJHPDBNINHFM-AWEZNQCLSA-N 0 0 348.215 4.281 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000015014758 211788568 /nfs/dbraw/zinc/78/85/68/211788568.db2.gz LZIBLUVGQMBEMA-UHFFFAOYSA-N 0 0 332.762 4.080 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000014956786 211776809 /nfs/dbraw/zinc/77/68/09/211776809.db2.gz WKNOHEWTAUNLCC-KRWDZBQOSA-N 0 0 332.806 4.196 50 0 EIAARN CC[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1nc(C)c(C)s1 ZINC000082091453 217462220 /nfs/dbraw/zinc/46/22/20/217462220.db2.gz ASTADGHVDXAPJF-CQSZACIVSA-N 0 0 341.436 4.296 50 0 EIAARN Cc1ccccc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000082121719 217471789 /nfs/dbraw/zinc/47/17/89/217471789.db2.gz PASMDESUQBPPTE-UHFFFAOYSA-N 0 0 328.843 4.001 50 0 EIAARN CC(C)c1csc(NC(=O)c2ccccc2Br)n1 ZINC000014250006 211722525 /nfs/dbraw/zinc/72/25/25/211722525.db2.gz RCPMTDNZRXCLQF-UHFFFAOYSA-N 0 0 325.231 4.281 50 0 EIAARN CC(=O)NCCc1ccc(-c2csc(-c3ccsc3)n2)cc1 ZINC000014180541 211701801 /nfs/dbraw/zinc/70/18/01/211701801.db2.gz IIAODHAOTGGZIE-UHFFFAOYSA-N 0 0 328.462 4.217 50 0 EIAARN CC(=O)Nc1ccccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000014184753 211704077 /nfs/dbraw/zinc/70/40/77/211704077.db2.gz FBZUEOWYTXPREF-UHFFFAOYSA-N 0 0 327.424 4.400 50 0 EIAARN COc1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)[nH]c1C=O ZINC000084846868 217650178 /nfs/dbraw/zinc/65/01/78/217650178.db2.gz GCEFDCVHLHSYRJ-UHFFFAOYSA-N 0 0 340.379 4.241 50 0 EIAARN CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000087065672 217710374 /nfs/dbraw/zinc/71/03/74/217710374.db2.gz NWEOLXIQJIPDJI-KRWDZBQOSA-N 0 0 346.858 4.359 50 0 EIAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1 ZINC000013550694 211577244 /nfs/dbraw/zinc/57/72/44/211577244.db2.gz BBBXUPFBAGMSLI-UHFFFAOYSA-N 0 0 345.811 4.023 50 0 EIAARN C[S@](=O)(=NC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000013466294 211561313 /nfs/dbraw/zinc/56/13/13/211561313.db2.gz RJZADDXGAVESAI-JOCHJYFZSA-N 0 0 333.796 4.383 50 0 EIAARN Cc1nn(C)c(NC(=O)Nc2ccc(F)cc2)c1C1=CCCCC1 ZINC000013365682 211551300 /nfs/dbraw/zinc/55/13/00/211551300.db2.gz AIZVWBVQNDBVOD-UHFFFAOYSA-N 0 0 328.391 4.469 50 0 EIAARN Cc1ccc(Cn2ccc(NC(=S)Nc3ccccc3C)n2)cc1 ZINC000013330858 211547409 /nfs/dbraw/zinc/54/74/09/211547409.db2.gz IFMJLHLRLIAEDU-UHFFFAOYSA-N 0 0 336.464 4.357 50 0 EIAARN Cc1onc(-c2ccccc2)c1C1=N/C(=C\c2ccccc2F)C(=O)O1 ZINC000013122167 211524516 /nfs/dbraw/zinc/52/45/16/211524516.db2.gz VMADVAIJNRSSRC-WJDWOHSUSA-N 0 0 348.333 4.134 50 0 EIAARN Cc1cc2cc(NC(=O)c3cnc(-c4ccccc4)nc3)ccc2[nH]1 ZINC000089610722 217818041 /nfs/dbraw/zinc/81/80/41/217818041.db2.gz XHQLXQRXGBGBHJ-UHFFFAOYSA-N 0 0 328.375 4.186 50 0 EIAARN Cc1ccc(NC(=O)Cc2noc(CCCSC(C)(C)C)n2)cc1 ZINC000089635045 217821520 /nfs/dbraw/zinc/82/15/20/217821520.db2.gz JZZKCQHONMZPCH-UHFFFAOYSA-N 0 0 347.484 4.024 50 0 EIAARN Cc1cccc(OCCN(C)C(=O)c2cc(C)nc3ccccc32)c1 ZINC000012982607 211499559 /nfs/dbraw/zinc/49/95/59/211499559.db2.gz VQHJCKACOCRCFN-UHFFFAOYSA-N 0 0 334.419 4.003 50 0 EIAARN CCc1ccc([C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C(C)C)cc1 ZINC000012981678 211498873 /nfs/dbraw/zinc/49/88/73/211498873.db2.gz CELPHEWNUJJVSS-HXUWFJFHSA-N 0 0 348.446 4.218 50 0 EIAARN COCc1ccc(SCc2nnc(Cc3ccccc3C)o2)cc1 ZINC000089690457 217827450 /nfs/dbraw/zinc/82/74/50/217827450.db2.gz UCQUOEIPIRWNKZ-UHFFFAOYSA-N 0 0 340.448 4.408 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccc(C)cc2)cc1 ZINC000012972612 211494425 /nfs/dbraw/zinc/49/44/25/211494425.db2.gz FSJOFAAUJLVNRS-HNNXBMFYSA-N 0 0 327.449 4.458 50 0 EIAARN COc1cc(C)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC ZINC000012940797 211489342 /nfs/dbraw/zinc/48/93/42/211489342.db2.gz MZPYVFNKWOOIMQ-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN COc1ccccc1C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000012932649 211487771 /nfs/dbraw/zinc/48/77/71/211487771.db2.gz BESHRMMVLPGUOF-UHFFFAOYSA-N 0 0 330.434 4.441 50 0 EIAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)c(Br)c1 ZINC000012902368 211478290 /nfs/dbraw/zinc/47/82/90/211478290.db2.gz LTMRPVSLKMFUTQ-UHFFFAOYSA-N 0 0 330.225 4.499 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1C ZINC000012861343 211470697 /nfs/dbraw/zinc/47/06/97/211470697.db2.gz MBXYPXVHPIFQLU-OAHLLOKOSA-N 0 0 343.448 4.431 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1ccccc1 ZINC000012852737 211469491 /nfs/dbraw/zinc/46/94/91/211469491.db2.gz PFGUTWDELKVCTA-UHFFFAOYSA-N 0 0 334.423 4.153 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc3ccccc3n2)cc1OCC ZINC000012822053 211467452 /nfs/dbraw/zinc/46/74/52/211467452.db2.gz LRUPZOCGFNAKHJ-UHFFFAOYSA-N 0 0 336.391 4.285 50 0 EIAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC ZINC000012822001 211466995 /nfs/dbraw/zinc/46/69/95/211466995.db2.gz XPGQELZWSFLNMX-UHFFFAOYSA-N 0 0 348.402 4.327 50 0 EIAARN O=C(Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cccs1 ZINC000012824989 211467012 /nfs/dbraw/zinc/46/70/12/211467012.db2.gz FZFCPGNSOVKKPJ-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1F ZINC000012798295 211460923 /nfs/dbraw/zinc/46/09/23/211460923.db2.gz QWONURNYVFMSMX-SNVBAGLBSA-N 0 0 327.277 4.215 50 0 EIAARN Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012748186 211444194 /nfs/dbraw/zinc/44/41/94/211444194.db2.gz GVRNNQJJBBETOY-UHFFFAOYSA-N 0 0 341.798 4.427 50 0 EIAARN O=S(=O)(c1ccc(NC2CC(c3ccccc3)C2)cc1)C(F)F ZINC000089827860 217854322 /nfs/dbraw/zinc/85/43/22/217854322.db2.gz GPQHOYKUKRYPSX-UHFFFAOYSA-N 0 0 337.391 4.041 50 0 EIAARN Cc1ccccc1SCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012623149 211425492 /nfs/dbraw/zinc/42/54/92/211425492.db2.gz XCJDWAJZJGROEM-UHFFFAOYSA-N 0 0 339.382 4.422 50 0 EIAARN CC(C)c1nnc(NC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000012784034 211455203 /nfs/dbraw/zinc/45/52/03/211455203.db2.gz YEZCIHCVZLCHKJ-UHFFFAOYSA-N 0 0 330.240 4.150 50 0 EIAARN CC[C@@H](C)[C@H](C(=O)Nc1cc(OC)ccc1OC)c1ccccc1 ZINC000012783951 211454630 /nfs/dbraw/zinc/45/46/30/211454630.db2.gz FCKSPBMIEYJTHA-KUHUBIRLSA-N 0 0 327.424 4.472 50 0 EIAARN Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12 ZINC000012757580 211447515 /nfs/dbraw/zinc/44/75/15/211447515.db2.gz DAVFYSXFGQDXCU-VIFPVBQESA-N 0 0 333.844 4.088 50 0 EIAARN CN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000012756610 211446343 /nfs/dbraw/zinc/44/63/43/211446343.db2.gz UKWYKHBXVGPKCH-UHFFFAOYSA-N 0 0 348.855 4.022 50 0 EIAARN C[C@H](NC(=O)c1ccc2c3c(cccc31)CC2)c1nc2ccccc2[nH]1 ZINC000012538574 211402200 /nfs/dbraw/zinc/40/22/00/211402200.db2.gz VHFAHDIGSJEKMQ-ZDUSSCGKSA-N 0 0 341.414 4.306 50 0 EIAARN O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1F ZINC000012609766 211423331 /nfs/dbraw/zinc/42/33/31/211423331.db2.gz XADKVBFCGIMRTR-UHFFFAOYSA-N 0 0 330.790 4.254 50 0 EIAARN COc1ccc(CNc2nc3ccccc3c(-c3ccccc3)n2)cn1 ZINC000012595004 211419242 /nfs/dbraw/zinc/41/92/42/211419242.db2.gz MJWDLLNBRKNCTB-UHFFFAOYSA-N 0 0 342.402 4.313 50 0 EIAARN Cc1cccc(Nc2ccccc2C(=O)NCc2cccnc2)c1C ZINC000012526848 211398711 /nfs/dbraw/zinc/39/87/11/211398711.db2.gz SRATVQIMKAILIE-UHFFFAOYSA-N 0 0 331.419 4.372 50 0 EIAARN CCCCCc1nc2ccccc2n1CC(=O)NCCc1ccccc1 ZINC000012525090 211398453 /nfs/dbraw/zinc/39/84/53/211398453.db2.gz SABWKVUPJVHQQD-UHFFFAOYSA-N 0 0 349.478 4.128 50 0 EIAARN COc1ccc(CNc2nc3ccccc3n2C)c2c(OC)cccc12 ZINC000012523748 211397686 /nfs/dbraw/zinc/39/76/86/211397686.db2.gz FTADZMUBPGNGMQ-UHFFFAOYSA-N 0 0 347.418 4.356 50 0 EIAARN Cc1cccc(C(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)c1 ZINC000012462738 211387933 /nfs/dbraw/zinc/38/79/33/211387933.db2.gz FMIONIPANVJNFX-NEFAXPCMSA-N 0 0 327.468 4.099 50 0 EIAARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](Nc2ccccc2)C1 ZINC000012449332 211385858 /nfs/dbraw/zinc/38/58/58/211385858.db2.gz ZADQLGJWJYPMAY-HNNXBMFYSA-N 0 0 348.368 4.422 50 0 EIAARN O=C(NC1CCC(c2ccccc2)CC1)c1cc2ccccc2oc1=O ZINC000012376163 211360138 /nfs/dbraw/zinc/36/01/38/211360138.db2.gz LNVCRCHEDULYFY-UHFFFAOYSA-N 0 0 347.414 4.249 50 0 EIAARN CC(C)n1ccc(COc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1 ZINC000089894116 217875345 /nfs/dbraw/zinc/87/53/45/217875345.db2.gz DUCJKZFVIWQOGK-UHFFFAOYSA-N 0 0 329.444 4.052 50 0 EIAARN COc1ccc(Cl)cc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000012391580 211366077 /nfs/dbraw/zinc/36/60/77/211366077.db2.gz CRZFSNOAGMKYLG-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN COCCCC1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000012386709 211364956 /nfs/dbraw/zinc/36/49/56/211364956.db2.gz CEJXOXWTWCRNKR-UHFFFAOYSA-N 0 0 349.862 4.029 50 0 EIAARN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000012389445 211365030 /nfs/dbraw/zinc/36/50/30/211365030.db2.gz ZHKQJIYAIZINHH-GOSISDBHSA-N 0 0 340.810 4.005 50 0 EIAARN C[C@H](NC(=O)c1cccc2nsnc21)C12CC3CC(CC(C3)C1)C2 ZINC000012340948 211352522 /nfs/dbraw/zinc/35/25/22/211352522.db2.gz PVFBLZHEAZHYAC-NZWMYCLXSA-N 0 0 341.480 4.026 50 0 EIAARN CCCCc1noc([C@@H](C)SCC(=O)Nc2ccccc2C)n1 ZINC000089954880 217896625 /nfs/dbraw/zinc/89/66/25/217896625.db2.gz PGEZSHLOKBTDDZ-CYBMUJFWSA-N 0 0 333.457 4.154 50 0 EIAARN Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NC1CC1 ZINC000012323491 211347880 /nfs/dbraw/zinc/34/78/80/211347880.db2.gz PIWVAHWNEKZSNP-UHFFFAOYSA-N 0 0 327.236 4.318 50 0 EIAARN CCN1C=C(c2csc(C)n2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000012321263 211346551 /nfs/dbraw/zinc/34/65/51/211346551.db2.gz MTCWXQUHJZWVQT-OAHLLOKOSA-N 0 0 333.844 4.232 50 0 EIAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)NCc1ccncc1 ZINC000012322482 211346120 /nfs/dbraw/zinc/34/61/20/211346120.db2.gz DDYBCUCKUAMPCL-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCc1ccncc1 ZINC000012307412 211342512 /nfs/dbraw/zinc/34/25/12/211342512.db2.gz AGMKKGOVTMDLBW-IBGZPJMESA-N 0 0 334.394 4.059 50 0 EIAARN O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCCc1ccccn1 ZINC000012307529 211342570 /nfs/dbraw/zinc/34/25/70/211342570.db2.gz OULMLNFYJYAKPI-FQEVSTJZSA-N 0 0 348.421 4.102 50 0 EIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1ccccc1 ZINC000012311505 211341178 /nfs/dbraw/zinc/34/11/78/211341178.db2.gz FJRVLNHAHKUKFS-NEWSRXKRSA-N 0 0 346.467 4.166 50 0 EIAARN CCCc1c(C(=O)Nc2ccc(C)c(C)c2)nnn1-c1ccccc1 ZINC000012274642 211331433 /nfs/dbraw/zinc/33/14/33/211331433.db2.gz XJKYZBUFEYCOFU-UHFFFAOYSA-N 0 0 334.423 4.089 50 0 EIAARN O=C(COc1ccccc1)OCc1cc(-c2ccc(Cl)cc2)on1 ZINC000012236685 211328339 /nfs/dbraw/zinc/32/83/39/211328339.db2.gz APEBKNPSVQLPHI-UHFFFAOYSA-N 0 0 343.766 4.117 50 0 EIAARN O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1c(F)cccc1F ZINC000012235654 211326688 /nfs/dbraw/zinc/32/66/88/211326688.db2.gz GNGNHAKCMMCXDZ-UHFFFAOYSA-N 0 0 348.736 4.203 50 0 EIAARN Cc1cc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)n[nH]1 ZINC000012300385 211337444 /nfs/dbraw/zinc/33/74/44/211337444.db2.gz KMZBDQWWQNVTGF-HNNXBMFYSA-N 0 0 345.450 4.216 50 0 EIAARN Cn1c2c(cccc2Cl)s/c1=N/C(=O)c1ccc(Cl)cc1 ZINC000012180812 211311234 /nfs/dbraw/zinc/31/12/34/211311234.db2.gz MDLHPMHKHVNOEW-OBGWFSINSA-N 0 0 337.231 4.288 50 0 EIAARN CCn1c2c(cccc2Cl)s/c1=N/C(=O)c1cccc(F)c1 ZINC000012180920 211311061 /nfs/dbraw/zinc/31/10/61/211311061.db2.gz DIPDJGHLIFJSOZ-KNTRCKAVSA-N 0 0 334.803 4.256 50 0 EIAARN CC[C@@H]1CN(C(=O)c2ccc(F)cc2)Cc2ccc(Cl)cc2O1 ZINC000012160415 211309836 /nfs/dbraw/zinc/30/98/36/211309836.db2.gz CHJHTWSYEIIMFB-MRXNPFEDSA-N 0 0 333.790 4.293 50 0 EIAARN O=C(CCCc1nc2ccccc2s1)N1CCc2sccc2C1 ZINC000012215940 211322237 /nfs/dbraw/zinc/32/22/37/211322237.db2.gz UQBAGIBPRHFEDB-UHFFFAOYSA-N 0 0 342.489 4.265 50 0 EIAARN CCCC(=O)Nc1ccc(NC(=O)c2ccccc2OCC)cc1 ZINC000012138502 211303048 /nfs/dbraw/zinc/30/30/48/211303048.db2.gz LGARZHJXEUOGEK-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN FC(F)(F)Oc1ccc(NCc2nnc(-c3ccccc3)o2)cc1 ZINC000012080471 211288458 /nfs/dbraw/zinc/28/84/58/211288458.db2.gz DUSNGLOXBUZLRP-UHFFFAOYSA-N 0 0 335.285 4.247 50 0 EIAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2ccccc2oc1=O ZINC000012062412 211284822 /nfs/dbraw/zinc/28/48/22/211284822.db2.gz YOGVLUPIWSBAKT-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)cc1C ZINC000012054495 211284037 /nfs/dbraw/zinc/28/40/37/211284037.db2.gz SPNYIIIHYJLTJW-IBGZPJMESA-N 0 0 326.415 4.159 50 0 EIAARN CCCCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012023669 211281446 /nfs/dbraw/zinc/28/14/46/211281446.db2.gz ASHPEEZQFMJPMI-UHFFFAOYSA-N 0 0 333.435 4.346 50 0 EIAARN CCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccc(SC)cc2)C1 ZINC000091493206 218014604 /nfs/dbraw/zinc/01/46/04/218014604.db2.gz XTSZYEMHRPXFEO-AWEZNQCLSA-N 0 0 344.484 4.036 50 0 EIAARN O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)Nc1ccccc1 ZINC000011997296 211278093 /nfs/dbraw/zinc/27/80/93/211278093.db2.gz KELGKKZXNLMVMK-UHFFFAOYSA-N 0 0 340.467 4.144 50 0 EIAARN CCCc1cc(C(=O)N2CCC(Sc3cccc(C)c3)CC2)[nH]n1 ZINC000091416559 218002060 /nfs/dbraw/zinc/00/20/60/218002060.db2.gz GMANIXDLYNPALX-UHFFFAOYSA-N 0 0 343.496 4.068 50 0 EIAARN COc1ccc([C@H](CC(=O)N(C)CC(C)C)c2ccccc2)cc1 ZINC000011951358 211273887 /nfs/dbraw/zinc/27/38/87/211273887.db2.gz BTFUPLGAIHTEKW-HXUWFJFHSA-N 0 0 325.452 4.332 50 0 EIAARN CCN(C(=O)c1[nH]c2ccc(C)cc2c1C)[C@H]1CCOC(C)(C)C1 ZINC000091444531 218006660 /nfs/dbraw/zinc/00/66/60/218006660.db2.gz OCLNMHFQRHRUHC-HNNXBMFYSA-N 0 0 328.456 4.204 50 0 EIAARN Cc1nc([C@@H](C)N(C)C(=O)c2ccc3cccc(F)c3n2)c(C)s1 ZINC000091452175 218007915 /nfs/dbraw/zinc/00/79/15/218007915.db2.gz NAOVTMZQAXKBGE-SNVBAGLBSA-N 0 0 343.427 4.280 50 0 EIAARN Cc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000011914662 211267146 /nfs/dbraw/zinc/26/71/46/211267146.db2.gz AXKDMZGXLLKJFF-UHFFFAOYSA-N 0 0 337.379 4.085 50 0 EIAARN O=C(Nc1ccccc1)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000011902546 211264672 /nfs/dbraw/zinc/26/46/72/211264672.db2.gz SLGATUDDJFCVJR-UHFFFAOYSA-N 0 0 337.379 4.454 50 0 EIAARN O=C(CCc1cccnc1)N1CCC[C@@H](CCc2cccc(F)c2)C1 ZINC000011818054 211251953 /nfs/dbraw/zinc/25/19/53/211251953.db2.gz IARURWYKLLHIAV-IBGZPJMESA-N 0 0 340.442 4.025 50 0 EIAARN COc1ccc(-c2c(C)c3ccc(OC(C)=O)c(C)c3oc2=O)cc1 ZINC000011865125 211259099 /nfs/dbraw/zinc/25/90/99/211259099.db2.gz RLUWQTABSYYIQR-UHFFFAOYSA-N 0 0 338.359 4.011 50 0 biogenic EIAARN Cn1ccc([C@H]2CCCCN2C(=O)c2ccc3sccc3c2)n1 ZINC000091694691 218049096 /nfs/dbraw/zinc/04/90/96/218049096.db2.gz XQUJZRZMJNSART-MRXNPFEDSA-N 0 0 325.437 4.002 50 0 EIAARN CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=C/[N+](=O)[O-])c2)n1 ZINC000091695238 218050520 /nfs/dbraw/zinc/05/05/20/218050520.db2.gz RXSIIFLATMKGFV-VOTSOKGWSA-N 0 0 337.301 4.081 50 0 EIAARN CCn1nc(C)cc1C(=O)Nc1nc2c(s1)c(Cl)ccc2C ZINC000011696043 211238432 /nfs/dbraw/zinc/23/84/32/211238432.db2.gz LCJRXOJPMDUENS-UHFFFAOYSA-N 0 0 334.832 4.035 50 0 EIAARN O=C(Nc1nnc(Cc2cccs2)o1)c1cccc2ccccc21 ZINC000011694655 211237413 /nfs/dbraw/zinc/23/74/13/211237413.db2.gz NMDGAQPYLPNTAX-UHFFFAOYSA-N 0 0 335.388 4.127 50 0 EIAARN Cc1cc([C@@H]2CCCCN2C(=O)c2cc3c(s2)CCCC3)no1 ZINC000091713239 218052575 /nfs/dbraw/zinc/05/25/75/218052575.db2.gz LAGXOMQIHMJPHU-HNNXBMFYSA-N 0 0 330.453 4.291 50 0 EIAARN CC(C)Cc1cc(C(=O)N[C@@H](CC(C)(C)C)c2cccnc2)on1 ZINC000091645789 218038986 /nfs/dbraw/zinc/03/89/86/218038986.db2.gz MCPKKCXGYGCUCO-INIZCTEOSA-N 0 0 329.444 4.175 50 0 EIAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2ccccc2)C1 ZINC000011693772 211236578 /nfs/dbraw/zinc/23/65/78/211236578.db2.gz QFOKGFAEZSAMQF-INIZCTEOSA-N 0 0 336.218 4.207 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1c(C)noc1C ZINC000091657346 218042400 /nfs/dbraw/zinc/04/24/00/218042400.db2.gz URKHWTZHLPBXBJ-CYBMUJFWSA-N 0 0 333.457 4.157 50 0 EIAARN Cc1cc(C)c(C)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)c1C ZINC000011566471 211223926 /nfs/dbraw/zinc/22/39/26/211223926.db2.gz CJODOYDWYJYGER-UHFFFAOYSA-N 0 0 325.518 4.413 50 0 EIAARN COc1ccccc1COC1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000091819511 218070372 /nfs/dbraw/zinc/07/03/72/218070372.db2.gz JXSSFZSEKVIYIA-UHFFFAOYSA-N 0 0 343.467 4.093 50 0 EIAARN Cc1ccc([C@@H]2Cc3cc(C(=O)NC4CCCC4)ccc3C(=O)O2)cc1 ZINC000011692921 211236054 /nfs/dbraw/zinc/23/60/54/211236054.db2.gz LKRSIKAUJUGHLT-FQEVSTJZSA-N 0 0 349.430 4.122 50 0 EIAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H](C)CC ZINC000011614080 211226048 /nfs/dbraw/zinc/22/60/48/211226048.db2.gz BNZYWQPZYNVCFU-CYBMUJFWSA-N 0 0 347.908 4.294 50 0 EIAARN O=C(/C=C/c1ccco1)OCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000011299002 211211400 /nfs/dbraw/zinc/21/14/00/211211400.db2.gz GZYFHQZVKBZSRH-OUKQBFOZSA-N 0 0 347.370 4.289 50 0 EIAARN O=C(c1ccc2cccc(F)c2n1)N1CCCC[C@H]1c1cccnc1 ZINC000091931592 218090238 /nfs/dbraw/zinc/09/02/38/218090238.db2.gz JSERMHBVDBOQKX-SFHVURJKSA-N 0 0 335.382 4.136 50 0 EIAARN Cc1ccc(-c2cnc(CCC(=O)NCc3ccccc3)o2)cc1C ZINC000011257395 211210286 /nfs/dbraw/zinc/21/02/86/211210286.db2.gz PCLZHYCOTAWEKG-UHFFFAOYSA-N 0 0 334.419 4.207 50 0 EIAARN Cc1cc(Cl)ccc1O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000011239197 211209286 /nfs/dbraw/zinc/20/92/86/211209286.db2.gz LAZQPDHHWRUAGK-KRWDZBQOSA-N 0 0 333.790 4.186 50 0 EIAARN CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000011538801 211220929 /nfs/dbraw/zinc/22/09/29/211220929.db2.gz RCGKRXHQUNWRQJ-WJXUGBSRSA-N 0 0 343.810 4.349 50 0 EIAARN CC(C)[C@@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000011473917 211218675 /nfs/dbraw/zinc/21/86/75/211218675.db2.gz UYKZENZPHNDGRF-FOIQADDNSA-N 0 0 342.508 4.181 50 0 EIAARN COc1ccc(-n2ccnc2SCc2cccc(OC)c2)cc1 ZINC000011395232 211215246 /nfs/dbraw/zinc/21/52/46/211215246.db2.gz MAAJZXRIPUIQDI-UHFFFAOYSA-N 0 0 326.421 4.182 50 0 EIAARN O=C(OCc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O ZINC000011341524 211213737 /nfs/dbraw/zinc/21/37/37/211213737.db2.gz QBNNABMENJEMQG-UHFFFAOYSA-N 0 0 348.276 4.169 50 0 EIAARN COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(OC)c1 ZINC000011342811 211213537 /nfs/dbraw/zinc/21/35/37/211213537.db2.gz YIPZDJXAMFKEAB-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN Cc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1F ZINC000011085188 211203872 /nfs/dbraw/zinc/20/38/72/211203872.db2.gz GNTUZNFMMPXMAV-UHFFFAOYSA-N 0 0 335.806 4.377 50 0 EIAARN Cc1ccccc1NCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000011114277 211203787 /nfs/dbraw/zinc/20/37/87/211203787.db2.gz YENPXCPFORYQSZ-FQEVSTJZSA-N 0 0 336.460 4.374 50 0 EIAARN Cc1ccc(OCC(=O)NCCC2=CCCCC2)c2c1[C@@H](C)CC2=O ZINC000011052705 211202402 /nfs/dbraw/zinc/20/24/02/211202402.db2.gz LHFMWEZKBDNZBM-HNNXBMFYSA-N 0 0 341.451 4.070 50 0 EIAARN O=C(Nc1cccc(NC(=O)c2ccco2)c1)Nc1ccccc1F ZINC000011009354 211201312 /nfs/dbraw/zinc/20/13/12/211201312.db2.gz LODOQKRYXVTCHO-UHFFFAOYSA-N 0 0 339.326 4.315 50 0 EIAARN COc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc(Cl)c1OC ZINC000011214041 211207783 /nfs/dbraw/zinc/20/77/83/211207783.db2.gz RQOZOPHFHRUYPQ-KRWDZBQOSA-N 0 0 345.826 4.238 50 0 EIAARN COc1cc(SC)ccc1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000011204771 211207499 /nfs/dbraw/zinc/20/74/99/211207499.db2.gz KWSGQIQRFKVBLG-SFHVURJKSA-N 0 0 327.449 4.298 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000011204887 211207435 /nfs/dbraw/zinc/20/74/35/211207435.db2.gz WTMHCDZZRVACDS-IBGZPJMESA-N 0 0 329.827 4.295 50 0 EIAARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(Br)cc1 ZINC000011201563 211206499 /nfs/dbraw/zinc/20/64/99/211206499.db2.gz FVNWLSVULGUCCL-MRXNPFEDSA-N 0 0 330.225 4.330 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)NCc1c(F)cccc1Cl ZINC000092061903 218111420 /nfs/dbraw/zinc/11/14/20/218111420.db2.gz ADDRTXMUVRKRKI-UHFFFAOYSA-N 0 0 326.824 4.297 50 0 EIAARN CCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000010544501 211179897 /nfs/dbraw/zinc/17/98/97/211179897.db2.gz KZVXNALFSIUZLD-KRWDZBQOSA-N 0 0 333.435 4.145 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)c1 ZINC000010544529 211179928 /nfs/dbraw/zinc/17/99/28/211179928.db2.gz WODOOGSVVLJPSN-INIZCTEOSA-N 0 0 333.435 4.200 50 0 EIAARN Cc1ccnc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000010430661 211171804 /nfs/dbraw/zinc/17/18/04/211171804.db2.gz WSUPFHFPVYMZAO-UHFFFAOYSA-N 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BSWJCMLMUKEPOX-UHFFFAOYSA-N 0 0 344.827 4.035 50 0 EIAARN COc1cc(C)c(NC(=O)CSCc2cccc(C)c2)cc1OC ZINC000006258864 210607807 /nfs/dbraw/zinc/60/78/07/210607807.db2.gz WAHMYGZMAOMOIP-UHFFFAOYSA-N 0 0 345.464 4.193 50 0 EIAARN O=c1[nH]c(C(Cl)=Cc2ccc(O)c(Cl)c2)nc2ccccc12 ZINC000096313703 218743777 /nfs/dbraw/zinc/74/37/77/218743777.db2.gz USXGPHGJKMAIJZ-WQLSENKSSA-N 0 0 333.174 4.431 50 0 EIAARN O=c1c2ccccc2nc(/C=C\c2cccnc2)n1-c1ccc(F)cc1 ZINC000096401293 218749397 /nfs/dbraw/zinc/74/93/97/218749397.db2.gz BMRXCZJJUXVRSV-GHXNOFRVSA-N 0 0 343.361 4.090 50 0 EIAARN O=C(C=Cc1cccc2ccccc12)Nc1nc2c(s1)C(=O)CCC2 ZINC000096402155 218749902 /nfs/dbraw/zinc/74/99/02/218749902.db2.gz TVNPGODFWANGJU-QXMHVHEDSA-N 0 0 348.427 4.467 50 0 EIAARN CCOc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)cc(OCC)c1OCC ZINC000006047773 210580926 /nfs/dbraw/zinc/58/09/26/210580926.db2.gz UWVJZUBZQLAEFM-HUUCEWRRSA-N 0 0 349.471 4.286 50 0 EIAARN Cc1ccc2c(COC(=O)/C=C/c3ccccc3)cc(=O)oc2c1C ZINC000006013161 210578261 /nfs/dbraw/zinc/57/82/61/210578261.db2.gz ATZVMSFZMTVQOU-PKNBQFBNSA-N 0 0 334.371 4.166 50 0 EIAARN CC(C)(C)CN(C(=O)c1csc(-c2ccoc2)n1)c1cccnc1 ZINC000096412527 218768372 /nfs/dbraw/zinc/76/83/72/218768372.db2.gz NQEURTSRKMSSRP-UHFFFAOYSA-N 0 0 341.436 4.491 50 0 EIAARN CCN(C(=O)Cc1ccc(OC)cc1)c1nc2c(cccc2C)s1 ZINC000005938111 210562147 /nfs/dbraw/zinc/56/21/47/210562147.db2.gz FMPLARKEMZTRID-UHFFFAOYSA-N 0 0 340.448 4.209 50 0 EIAARN O=C(CCc1ccncc1)NC(c1cccs1)c1cccs1 ZINC000096414511 218772140 /nfs/dbraw/zinc/77/21/40/218772140.db2.gz VBENZCBVBMNQSV-UHFFFAOYSA-N 0 0 328.462 4.043 50 0 EIAARN COC[C@@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 ZINC000096417956 218779842 /nfs/dbraw/zinc/77/98/42/218779842.db2.gz YVZVFFUGFRNPMH-CQSZACIVSA-N 0 0 334.485 4.222 50 0 EIAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3ccccc3n2)cc1C ZINC000005846785 210547066 /nfs/dbraw/zinc/54/70/66/210547066.db2.gz GQRQDSXKILJKFE-OAHLLOKOSA-N 0 0 333.387 4.280 50 0 EIAARN Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)c(C)c3)c2n1 ZINC000005740531 210528215 /nfs/dbraw/zinc/52/82/15/210528215.db2.gz VXGWPAXKRMQSFZ-UHFFFAOYSA-N 0 0 347.823 4.273 50 0 EIAARN COc1ccc(C)cc1CNc1cc(C[S@](C)=O)ccc1Cl ZINC000096453609 218837319 /nfs/dbraw/zinc/83/73/19/218837319.db2.gz DVMSXTQGJDHMGJ-JOCHJYFZSA-N 0 0 337.872 4.148 50 0 EIAARN O=C(Nc1ccccc1F)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000096467912 218848101 /nfs/dbraw/zinc/84/81/01/218848101.db2.gz LDOZFBYHRJMLRZ-PBHICJAKSA-N 0 0 346.402 4.319 50 0 EIAARN C[C@@H](N[C@@H](c1nccs1)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000096478555 218855555 /nfs/dbraw/zinc/85/55/55/218855555.db2.gz LMXZPOPDEIHEAL-FZKQIMNGSA-N 0 0 341.480 4.072 50 0 EIAARN Cc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccc(Cl)cc1 ZINC000005509023 210476872 /nfs/dbraw/zinc/47/68/72/210476872.db2.gz FGDLALDQICEARW-UHFFFAOYSA-N 0 0 341.846 4.280 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cccc(Cl)c1)CC2 ZINC000005422315 210461599 /nfs/dbraw/zinc/46/15/99/210461599.db2.gz ZDDYPIVSFKMRRG-GFCCVEGCSA-N 0 0 345.826 4.117 50 0 EIAARN CCOc1cc2c(cc1/C=C\C(=O)Nc1ccccc1F)O[C@H](C)C2 ZINC000096576376 218883953 /nfs/dbraw/zinc/88/39/53/218883953.db2.gz WGTWIBKJJNQZSR-LJTDUEICSA-N 0 0 341.382 4.200 50 0 EIAARN Cc1cc(NC(=O)CCc2ccccc2)ccc1N1CCCCC1=O ZINC000005441361 210464014 /nfs/dbraw/zinc/46/40/14/210464014.db2.gz RVAHBUIGRZXQNZ-UHFFFAOYSA-N 0 0 336.435 4.083 50 0 EIAARN CCSc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)NC ZINC000005240846 210421726 /nfs/dbraw/zinc/42/17/26/210421726.db2.gz QVLAUPMCIAJQLC-UHFFFAOYSA-N 0 0 348.493 4.089 50 0 EIAARN C[C@H](COc1ccc(F)c(F)c1)Nc1cccc(Cn2cccn2)c1 ZINC000097037369 218925198 /nfs/dbraw/zinc/92/51/98/218925198.db2.gz BMVWXKOIZZKWDS-CQSZACIVSA-N 0 0 343.377 4.089 50 0 EIAARN O=C(Nc1cccs1)Nc1c(F)cc(F)cc1Br ZINC000005135480 210397974 /nfs/dbraw/zinc/39/79/74/210397974.db2.gz AZDYDESVHSCJBQ-UHFFFAOYSA-N 0 0 333.157 4.433 50 0 EIAARN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000005137318 210398057 /nfs/dbraw/zinc/39/80/57/210398057.db2.gz MHISBESCCQNUMV-UHFFFAOYSA-N 0 0 342.851 4.436 50 0 EIAARN Cc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)c1 ZINC000005152759 210401354 /nfs/dbraw/zinc/40/13/54/210401354.db2.gz YMHRZAKADKPVPC-FQEVSTJZSA-N 0 0 346.430 4.122 50 0 EIAARN Cc1ccccc1C(=O)NCCc1csc(-c2ccc(F)cc2)n1 ZINC000005146260 210399374 /nfs/dbraw/zinc/39/93/74/210399374.db2.gz MYEFUHYYOPQBSN-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000005118482 210393455 /nfs/dbraw/zinc/39/34/55/210393455.db2.gz XGJVQCBIDBGXIL-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN N=C1NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)S1 ZINC000005102120 210389748 /nfs/dbraw/zinc/38/97/48/210389748.db2.gz BGAVGVCAPLAZOU-XFFZJAGNSA-N 0 0 336.825 4.223 50 0 EIAARN O=c1[nH]c(-c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000005072882 210384697 /nfs/dbraw/zinc/38/46/97/210384697.db2.gz SZSRWEWXSDVBAP-UHFFFAOYSA-N 0 0 328.415 4.472 50 0 biogenic EIAARN COCCNc1nnc(SCc2cccc3ccccc32)s1 ZINC000005078498 210384727 /nfs/dbraw/zinc/38/47/27/210384727.db2.gz VLHMAPIRRHGNEI-UHFFFAOYSA-N 0 0 331.466 4.042 50 0 EIAARN COc1ccccc1CCNC(=O)Nc1cccc(Cl)c1Cl ZINC000005041971 210373463 /nfs/dbraw/zinc/37/34/63/210373463.db2.gz XFTBUDSEECJLNB-UHFFFAOYSA-N 0 0 339.222 4.366 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3s2)[C@@H]1C ZINC000005035114 210370174 /nfs/dbraw/zinc/37/01/74/210370174.db2.gz VJBKPCAJJMVXSS-JHJVBQTASA-N 0 0 334.510 4.329 50 0 EIAARN O=C(CSc1nc2ccccc2o1)Nc1cc(Cl)ccc1F ZINC000005033568 210370268 /nfs/dbraw/zinc/37/02/68/210370268.db2.gz VAXDVNNPPBDVCH-UHFFFAOYSA-N 0 0 336.775 4.351 50 0 EIAARN Cc1ccc([C@@]2(CC(=O)N3CCCC3)CCO[C@@H](C(C)C)C2)cc1 ZINC000005024868 210365765 /nfs/dbraw/zinc/36/57/65/210365765.db2.gz YAWLRKLUJJGWHP-CTNGQTDRSA-N 0 0 329.484 4.080 50 0 EIAARN Cc1ccc2cc(CN(C(=O)C(C)(C)C)c3ccccc3)c(=O)[nH]c2c1 ZINC000005026598 210367482 /nfs/dbraw/zinc/36/74/82/210367482.db2.gz BMEMJKBDZYZRIC-UHFFFAOYSA-N 0 0 348.446 4.416 50 0 EIAARN Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)c1 ZINC000005053574 210375243 /nfs/dbraw/zinc/37/52/43/210375243.db2.gz MFKQIYYTTCWZQU-UHFFFAOYSA-N 0 0 348.446 4.334 50 0 EIAARN Fc1ccc(COc2ccc3ccccc3c2CNc2nc[nH]n2)cc1 ZINC000005019152 210364501 /nfs/dbraw/zinc/36/45/01/210364501.db2.gz RRCPXVLMIQGOHM-UHFFFAOYSA-N 0 0 348.381 4.288 50 0 EIAARN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)CC2=O ZINC000005015850 210361954 /nfs/dbraw/zinc/36/19/54/210361954.db2.gz LLWQQZMFDHMPRV-LBPRGKRZSA-N 0 0 347.208 4.185 50 0 EIAARN C[C@@H](NC(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000004998111 210353575 /nfs/dbraw/zinc/35/35/75/210353575.db2.gz IHSWTDAQYKMNDX-LLVKDONJSA-N 0 0 333.819 4.148 50 0 EIAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1 ZINC000004973310 210345648 /nfs/dbraw/zinc/34/56/48/210345648.db2.gz BHXNQYGMADPAPQ-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN COc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000004960558 210340375 /nfs/dbraw/zinc/34/03/75/210340375.db2.gz SZIDIGGVLMFKGO-NRFANRHFSA-N 0 0 344.414 4.462 50 0 EIAARN COCCCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961552 210340132 /nfs/dbraw/zinc/34/01/32/210340132.db2.gz OJUQYKWZVAANIU-UHFFFAOYSA-N 0 0 348.855 4.178 50 0 EIAARN O=C(COc1cc(Cl)cc(Cl)c1)NCCCc1ccccc1 ZINC000003476914 208556482 /nfs/dbraw/zinc/55/64/82/208556482.db2.gz DTEZBTYGIGXTAL-UHFFFAOYSA-N 0 0 338.234 4.121 50 0 EIAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000004943160 210334221 /nfs/dbraw/zinc/33/42/21/210334221.db2.gz VLKZWMVSFVXOJF-MRXNPFEDSA-N 0 0 333.435 4.275 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1cccc2nc(C)ccc21 ZINC000004939675 210331000 /nfs/dbraw/zinc/33/10/00/210331000.db2.gz JASJLNHFKRGNHX-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN CCOc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000004914405 210322765 /nfs/dbraw/zinc/32/27/65/210322765.db2.gz XAZTWWRAQCKUDC-HXUWFJFHSA-N 0 0 348.402 4.445 50 0 EIAARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N1CCc2ccccc21 ZINC000007003172 208569654 /nfs/dbraw/zinc/56/96/54/208569654.db2.gz AECRKWDWGGQOHJ-KRWDZBQOSA-N 0 0 349.478 4.067 50 0 EIAARN CCOc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000004914399 210322010 /nfs/dbraw/zinc/32/20/10/210322010.db2.gz XAZTWWRAQCKUDC-FQEVSTJZSA-N 0 0 348.402 4.445 50 0 EIAARN CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 ZINC000004910467 210321468 /nfs/dbraw/zinc/32/14/68/210321468.db2.gz RUFFONXICZLGLD-HNNXBMFYSA-N 0 0 325.408 4.193 50 0 EIAARN CCc1ccc([C@@H]2Cc3[nH]c(C(=O)OC(C)C)c(C)c3C(=O)C2)cc1 ZINC000004912083 210321163 /nfs/dbraw/zinc/32/11/63/210321163.db2.gz DFKVXOJOLQKMBS-MRXNPFEDSA-N 0 0 339.435 4.363 50 0 EIAARN CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000004911750 210321167 /nfs/dbraw/zinc/32/11/67/210321167.db2.gz KDEBQLQNMYHNDO-GFCCVEGCSA-N 0 0 345.826 4.456 50 0 EIAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c3cccc(O)c3ccc21 ZINC000004913787 210320253 /nfs/dbraw/zinc/32/02/53/210320253.db2.gz VJVVABBCONFBTH-QGZVFWFLSA-N 0 0 333.387 4.418 50 0 EIAARN CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)c(C)c1 ZINC000004908606 210319048 /nfs/dbraw/zinc/31/90/48/210319048.db2.gz UHKKIQMYFIFWLN-UHFFFAOYSA-N 0 0 334.419 4.088 50 0 EIAARN CCOc1cc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)ccc1O ZINC000007040361 208574343 /nfs/dbraw/zinc/57/43/43/208574343.db2.gz IACIMARTLXMJHZ-FQEVSTJZSA-N 0 0 335.407 4.244 50 0 EIAARN COc1ccccc1NC(=S)NCCc1c(C)[nH]c2ccccc21 ZINC000004904745 210317800 /nfs/dbraw/zinc/31/78/00/210317800.db2.gz POGWKLSYFSIIEY-UHFFFAOYSA-N 0 0 339.464 4.014 50 0 EIAARN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000004854194 210302369 /nfs/dbraw/zinc/30/23/69/210302369.db2.gz XDRTUJVASRWYKM-FQEVSTJZSA-N 0 0 347.418 4.134 50 0 EIAARN COc1c(C)cccc1C(=O)Nc1ccc(Br)cc1F ZINC000004869239 210308363 /nfs/dbraw/zinc/30/83/63/210308363.db2.gz OZQZVOIPVXXPTH-UHFFFAOYSA-N 0 0 338.176 4.158 50 0 EIAARN O=C1C[C@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)OCO3 ZINC000004866333 210307480 /nfs/dbraw/zinc/30/74/80/210307480.db2.gz QEHOYJBMHNOLTA-SNVBAGLBSA-N 0 0 336.174 4.196 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC000004867167 210306833 /nfs/dbraw/zinc/30/68/33/210306833.db2.gz UIEHSDSDVVOSFX-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)ccc1O ZINC000004816006 210286498 /nfs/dbraw/zinc/28/64/98/210286498.db2.gz AWZBJEQFZJWEII-UHFFFAOYSA-N 0 0 341.476 4.031 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)ccc1Cl ZINC000004843147 210296124 /nfs/dbraw/zinc/29/61/24/210296124.db2.gz DEFRBDMGTACPLR-JTQLQIEISA-N 0 0 325.742 4.333 50 0 EIAARN CC(C)COc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000004842112 210295694 /nfs/dbraw/zinc/29/56/94/210295694.db2.gz KMVLZQISYPICEB-UHFFFAOYSA-N 0 0 337.375 4.080 50 0 EIAARN Cc1ccc(-c2noc(CNC(=O)c3cccc4ccccc43)n2)cc1 ZINC000004838385 210292899 /nfs/dbraw/zinc/29/28/99/210292899.db2.gz SGNWFUMXOMSGIJ-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN Cc1ccccc1O[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000004833570 210292299 /nfs/dbraw/zinc/29/22/99/210292299.db2.gz VXLUEAXZNAMPMO-GOSISDBHSA-N 0 0 337.463 4.244 50 0 EIAARN c1coc(-c2nnc(SCc3coc(-c4cccs4)n3)o2)c1 ZINC000004828300 210290675 /nfs/dbraw/zinc/29/06/75/210290675.db2.gz UAINQOORPSBCOM-UHFFFAOYSA-N 0 0 331.378 4.338 50 0 EIAARN COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@]2(C)C1=CC[C@@H]2OC(C)=O ZINC000004821180 210287366 /nfs/dbraw/zinc/28/73/66/210287366.db2.gz LRTUTQVESNZNCY-ZPDQPEGFSA-N 0 0 340.419 4.292 50 0 EIAARN Cc1cc2ccccc2n1CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004801036 210279780 /nfs/dbraw/zinc/27/97/80/210279780.db2.gz SRAKKXDIFOPZJR-UHFFFAOYSA-N 0 0 336.479 4.282 50 0 EIAARN Fc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1 ZINC000004786707 210279230 /nfs/dbraw/zinc/27/92/30/210279230.db2.gz FQDMQROCIGYKRK-UHFFFAOYSA-N 0 0 349.159 4.217 50 0 EIAARN CCc1nc(C)c(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)o1 ZINC000097528930 219033337 /nfs/dbraw/zinc/03/33/37/219033337.db2.gz IWYLXTSTQHGUDQ-LJQANCHMSA-N 0 0 349.434 4.077 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000004751557 210271109 /nfs/dbraw/zinc/27/11/09/210271109.db2.gz AZDMEALARANOBK-LLVKDONJSA-N 0 0 339.778 4.038 50 0 EIAARN Cc1cc2oc(=O)c3c(c2cc1OC(=O)c1cccs1)CCCC3 ZINC000004749301 210269443 /nfs/dbraw/zinc/26/94/43/210269443.db2.gz FAZCFWLSXOQRIV-UHFFFAOYSA-N 0 0 340.400 4.261 50 0 EIAARN CCN(C(=O)c1ccco1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000112639872 220361599 /nfs/dbraw/zinc/36/15/99/220361599.db2.gz DUJVZKGRUQVIIO-GOSISDBHSA-N 0 0 342.345 4.205 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC21OCCO1 ZINC000118914887 221203521 /nfs/dbraw/zinc/20/35/21/221203521.db2.gz XNJOZXWLEFEFEX-DSWGTCOTSA-N 0 0 334.500 4.133 50 0 EIAARN COc1ccc(CCNC(=O)[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1OC ZINC000033776831 257691438 /nfs/dbraw/zinc/69/14/38/257691438.db2.gz UAUBDALLXPVFIX-RYQLBKOJSA-N 0 0 347.499 4.071 50 0 EIAARN CCSCc1ccnc(NC(=O)c2cccnc2C(F)(F)F)c1 ZINC000188430245 257952456 /nfs/dbraw/zinc/95/24/56/257952456.db2.gz NIXJKQZFUYKWGQ-UHFFFAOYSA-N 0 0 341.358 4.001 50 0 EIAARN Cn1cncc1-c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000426563121 257963060 /nfs/dbraw/zinc/96/30/60/257963060.db2.gz SJFCMJWRKMQBLR-HXUWFJFHSA-N 0 0 345.446 4.107 50 0 EIAARN C[C@@H](NC(=O)c1cccc(-c2cnn3cccnc23)c1)C1=CCCCC1 ZINC000426399205 257969423 /nfs/dbraw/zinc/96/94/23/257969423.db2.gz KHTRSLVHRXBFOB-OAHLLOKOSA-N 0 0 346.434 4.015 50 0 EIAARN Cc1ccccc1SCC(=O)OCC(=O)c1ccc(Cl)s1 ZINC000007783304 257927317 /nfs/dbraw/zinc/92/73/17/257927317.db2.gz OJBZOUIFSJVCGS-UHFFFAOYSA-N 0 0 340.853 4.228 50 0 EIAARN COc1cc2c(cc1OC)-c1cc(-c3cc(C)n(C)c3C)cn1CC2 ZINC000004090581 257927954 /nfs/dbraw/zinc/92/79/54/257927954.db2.gz HESFBMLUVGSVBB-UHFFFAOYSA-N 0 0 336.435 4.351 50 0 biogenic EIAARN CCN(C(=O)c1cc(C)nc(C(F)(F)F)n1)c1ccccc1Cl ZINC000274963688 257942256 /nfs/dbraw/zinc/94/22/56/257942256.db2.gz ARTLXVFQWVMQPD-UHFFFAOYSA-N 0 0 343.736 4.124 50 0 EIAARN CC(C)(C)SCC(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 ZINC000521396337 257946844 /nfs/dbraw/zinc/94/68/44/257946844.db2.gz ODJNWWMRLQBUQO-UHFFFAOYSA-N 0 0 340.514 4.050 50 0 EIAARN CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)c3ccccc3)ccc12 ZINC000000082659 258047417 /nfs/dbraw/zinc/04/74/17/258047417.db2.gz KMTUAPGWCIUDDI-AWEZNQCLSA-N 0 0 336.387 4.396 50 0 biogenic EIAARN Cc1ccc(OC(=O)COc2ccc(Br)cc2)cc1C ZINC000000129415 258047694 /nfs/dbraw/zinc/04/76/94/258047694.db2.gz XOZMSNBWHBHQRW-UHFFFAOYSA-N 0 0 335.197 4.050 50 0 EIAARN COc1ccc(OC)c(/C=C/C(=O)Oc2ccc(C(C)C)cc2)c1 ZINC000000129622 258047753 /nfs/dbraw/zinc/04/77/53/258047753.db2.gz ZEKWSRYPEMWRHP-KPKJPENVSA-N 0 0 326.392 4.446 50 0 EIAARN Cc1nnc(N(C)C(=O)C2(c3cccc(C)c3)CCCCC2)s1 ZINC000328596328 258042558 /nfs/dbraw/zinc/04/25/58/258042558.db2.gz HJKDYSARKANAEX-UHFFFAOYSA-N 0 0 329.469 4.020 50 0 EIAARN CC1CCC2(CC1)NC(=O)N(c1cc(-c3ccccc3)ns1)C2=O ZINC000328594932 258042892 /nfs/dbraw/zinc/04/28/92/258042892.db2.gz GENPQOVMKVUJPY-UHFFFAOYSA-N 0 0 341.436 4.020 50 0 EIAARN Cc1occc1-c1cc(NC(=O)N2CCC[C@@H]2c2cccs2)no1 ZINC000328588790 258045727 /nfs/dbraw/zinc/04/57/27/258045727.db2.gz WPGTWKCMVBGTIR-CYBMUJFWSA-N 0 0 343.408 4.095 50 0 EIAARN NC(=O)c1csc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1 ZINC000328587941 258046021 /nfs/dbraw/zinc/04/60/21/258046021.db2.gz KEOCIVUJQLMEEY-INIZCTEOSA-N 0 0 348.427 4.424 50 0 EIAARN C[C@H](Cc1cccs1)C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000408512973 257985444 /nfs/dbraw/zinc/98/54/44/257985444.db2.gz OLTHDJOEFIFKKY-MRXNPFEDSA-N 0 0 343.492 4.135 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCC[C@H]1C ZINC000242839291 258000594 /nfs/dbraw/zinc/00/05/94/258000594.db2.gz FVAOBAAJFRWURS-SUNKGSAMSA-N 0 0 330.255 4.456 50 0 EIAARN CSc1ccc([C@@H](C)NC(=O)c2ccncc2C(F)(F)F)cc1 ZINC000330033177 258001816 /nfs/dbraw/zinc/00/18/16/258001816.db2.gz XCHGLMIJNXGNET-SNVBAGLBSA-N 0 0 340.370 4.313 50 0 EIAARN CCOc1ccc2c(c1)sc(=N)n2Cc1cc(C)cc2cccnc21 ZINC000334157745 258004890 /nfs/dbraw/zinc/00/48/90/258004890.db2.gz WPEAHGYGNZZGPV-UHFFFAOYSA-N 0 0 349.459 4.486 50 0 EIAARN Cc1n[nH]c(C)c1NC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000194801131 258011693 /nfs/dbraw/zinc/01/16/93/258011693.db2.gz POWJUYOLIFIHMY-UHFFFAOYSA-N 0 0 347.378 4.479 50 0 EIAARN COCCN1C(=O)CC[C@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000334163426 258016035 /nfs/dbraw/zinc/01/60/35/258016035.db2.gz ROIKAMVLDYUGIZ-IBGZPJMESA-N 0 0 348.446 4.155 50 0 EIAARN CCSc1nc2c(c(=O)n1CC)C1(CCCC1)Cc1ccccc1-2 ZINC000000119084 258047379 /nfs/dbraw/zinc/04/73/79/258047379.db2.gz BUEZSTLUXDHGFB-UHFFFAOYSA-N 0 0 340.492 4.410 50 0 biogenic EIAARN CCc1nc(-c2cccc(NC(=O)N[C@@H](C)C3=CCCCC3)c2)n[nH]1 ZINC000299771393 258083502 /nfs/dbraw/zinc/08/35/02/258083502.db2.gz WFZKQFDDTWVCMD-ZDUSSCGKSA-N 0 0 339.443 4.045 50 0 EIAARN CCN(C[C@H]1CCCCO1)C(=O)Nc1cccc(-c2cscn2)c1 ZINC000299773022 258084903 /nfs/dbraw/zinc/08/49/03/258084903.db2.gz CEZYDXCPFUZBAN-MRXNPFEDSA-N 0 0 345.468 4.233 50 0 EIAARN Cc1cccc([C@@H]2CCCN(C(=O)Nc3ccnn3C(C)C)C2)c1 ZINC000299794321 258098962 /nfs/dbraw/zinc/09/89/62/258098962.db2.gz IOQCUJKKQRGRBX-QGZVFWFLSA-N 0 0 326.444 4.184 50 0 EIAARN CSc1ccccc1NC(=O)N[C@@H](c1cc(C)ccn1)C1CC1 ZINC000299794456 258099281 /nfs/dbraw/zinc/09/92/81/258099281.db2.gz KJWORASZFTZLMT-QGZVFWFLSA-N 0 0 327.453 4.385 50 0 EIAARN CC1(C)[C@@]2(C(=O)N(c3ccccc3)c3ccccc3)CC[C@]1(C)C(=O)O2 ZINC000002172655 258049625 /nfs/dbraw/zinc/04/96/25/258049625.db2.gz UOAFRVOULZECKY-YADHBBJMSA-N 0 0 349.430 4.473 50 0 EIAARN Cc1cccc2c(C)cc(SCC(=O)N3CCC(C)CC3)nc12 ZINC000003436821 258050683 /nfs/dbraw/zinc/05/06/83/258050683.db2.gz AOJGNSLAMGGMDT-UHFFFAOYSA-N 0 0 328.481 4.202 50 0 EIAARN CC(C)OCc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000007783287 258053444 /nfs/dbraw/zinc/05/34/44/258053444.db2.gz GORVTGAYLGVWNE-UHFFFAOYSA-N 0 0 341.407 4.025 50 0 EIAARN O=C(CSCc1cccs1)Nc1nc(-c2ccncc2)cs1 ZINC000009368486 258054079 /nfs/dbraw/zinc/05/40/79/258054079.db2.gz WYDQWJPYKODZRB-UHFFFAOYSA-N 0 0 347.490 4.139 50 0 EIAARN O=C(CCc1cccnc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009368896 258054081 /nfs/dbraw/zinc/05/40/81/258054081.db2.gz JAQBLRIDDDGZEW-LJQANCHMSA-N 0 0 340.423 4.121 50 0 EIAARN CCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(C)C ZINC000011565832 258054347 /nfs/dbraw/zinc/05/43/47/258054347.db2.gz AWUBXVRVOUWZRM-UHFFFAOYSA-N 0 0 347.480 4.077 50 0 EIAARN CC1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)CC1 ZINC000014003897 258056364 /nfs/dbraw/zinc/05/63/64/258056364.db2.gz UCRYGGPWAGWCLC-VAWYXSNFSA-N 0 0 348.446 4.211 50 0 EIAARN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(F)cc1 ZINC000020138192 258057086 /nfs/dbraw/zinc/05/70/86/258057086.db2.gz YNZLPBPOCVQQGD-UHFFFAOYSA-N 0 0 345.757 4.484 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)C1CC1 ZINC000032882800 258058825 /nfs/dbraw/zinc/05/88/25/258058825.db2.gz PRYUFCVRFLFRCG-UHFFFAOYSA-N 0 0 327.334 4.447 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)NCc3csc(C)n3)ccc2c1 ZINC000032937757 258058881 /nfs/dbraw/zinc/05/88/81/258058881.db2.gz OMWBQCNGXQXYPJ-GFCCVEGCSA-N 0 0 340.448 4.033 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058058 258062197 /nfs/dbraw/zinc/06/21/97/258062197.db2.gz JGYJBWQDQGQLST-OAHLLOKOSA-N 0 0 347.418 4.464 50 0 EIAARN OC1(CSc2nnc(Nc3ccccc3F)s2)CCCCC1 ZINC000065169011 258062494 /nfs/dbraw/zinc/06/24/94/258062494.db2.gz BVOPVYBKQPYGDO-UHFFFAOYSA-N 0 0 339.461 4.208 50 0 EIAARN CC(C)c1ccc(CN(C2CC2)S(=O)(=O)Cc2ccccc2)cc1 ZINC000072313273 258064658 /nfs/dbraw/zinc/06/46/58/258064658.db2.gz BCNRYPZRWMBNLU-UHFFFAOYSA-N 0 0 343.492 4.304 50 0 EIAARN COCCS[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000095414722 258067056 /nfs/dbraw/zinc/06/70/56/258067056.db2.gz BABWMMYLCKXCHV-MRVPVSSYSA-N 0 0 333.240 4.484 50 0 EIAARN COc1ccccc1-c1nnc(CNc2cccc3c2CCCC3)o1 ZINC000095414805 258067093 /nfs/dbraw/zinc/06/70/93/258067093.db2.gz YQELAXIZMODTJZ-UHFFFAOYSA-N 0 0 335.407 4.236 50 0 EIAARN CCCSc1ccccc1NC(=O)N(C)[C@H](C)c1ccncn1 ZINC000096164965 258067711 /nfs/dbraw/zinc/06/77/11/258067711.db2.gz IUGAIBYUNPUHFQ-CYBMUJFWSA-N 0 0 330.457 4.204 50 0 EIAARN Cn1nccc1CNc1nc2ccccc2n1CCCc1ccccc1 ZINC000097162774 258068555 /nfs/dbraw/zinc/06/85/55/258068555.db2.gz GFQWGVISSLWXPH-UHFFFAOYSA-N 0 0 345.450 4.015 50 0 EIAARN CC(C)CN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000215997331 258072407 /nfs/dbraw/zinc/07/24/07/258072407.db2.gz VSSNIIRQJFNWCD-UHFFFAOYSA-N 0 0 347.462 4.386 50 0 EIAARN CCCCCOc1ccc(NC(=O)N2CCC3(CCO3)CC2)cc1 ZINC000299760864 258077786 /nfs/dbraw/zinc/07/77/86/258077786.db2.gz KKSLQMIZEVQTOV-UHFFFAOYSA-N 0 0 332.444 4.042 50 0 EIAARN CCCO[C@H]1CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000299762550 258079161 /nfs/dbraw/zinc/07/91/61/258079161.db2.gz XDASEXCWFKSZNO-ZDUSSCGKSA-N 0 0 347.846 4.311 50 0 EIAARN CC(C)c1cc(CN(C)C(=O)Cc2ccccc2C(F)(F)F)on1 ZINC000299767433 258082238 /nfs/dbraw/zinc/08/22/38/258082238.db2.gz KZFFMJLJCHQROG-UHFFFAOYSA-N 0 0 340.345 4.018 50 0 EIAARN Cc1nc2cc(NC(=O)N3CCCC[C@@H]3c3ccccn3)ccc2[nH]1 ZINC000299767576 258082265 /nfs/dbraw/zinc/08/22/65/258082265.db2.gz IKDHTEGVEMMPTK-GOSISDBHSA-N 0 0 335.411 4.025 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)Nc1cccc(N2CCCCC2)c1 ZINC000056501871 132197835 /nfs/dbraw/zinc/19/78/35/132197835.db2.gz LURVFANARVCIIR-UHFFFAOYSA-N 0 0 343.456 4.050 50 0 EIAARN Cc1cccc(CN2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@H]2C)c1 ZINC000035798953 132390797 /nfs/dbraw/zinc/39/07/97/132390797.db2.gz DIRZHZUOFCLODW-MRXNPFEDSA-N 0 0 342.870 4.194 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2cn3ccccc3n2)N1c1ccccc1 ZINC000058166328 132803674 /nfs/dbraw/zinc/80/36/74/132803674.db2.gz DENOCIFHVLYTRZ-HXUWFJFHSA-N 0 0 340.386 4.105 50 0 EIAARN CC1CCN(c2nc3c(-c4ccccc4)nnn3c3ccccc32)CC1 ZINC000067263296 132811521 /nfs/dbraw/zinc/81/15/21/132811521.db2.gz JQWHNIYONQASSU-UHFFFAOYSA-N 0 0 343.434 4.181 50 0 EIAARN OC[C@]1(CCc2ccccc2)CCCN(c2ccc3ccccc3n2)C1 ZINC000067714837 132812762 /nfs/dbraw/zinc/81/27/62/132812762.db2.gz JLCUDRFLTQDLQS-QHCPKHFHSA-N 0 0 346.474 4.447 50 0 EIAARN CCN1c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2CCC1=O ZINC000075549983 132815222 /nfs/dbraw/zinc/81/52/22/132815222.db2.gz OOYASNKITTVKOF-UHFFFAOYSA-N 0 0 336.435 4.361 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1ccc(F)cc1)c1cc(Cl)ccc1O2 ZINC000000424809 135649972 /nfs/dbraw/zinc/64/99/72/135649972.db2.gz KTIWXLBMZCTISE-RHSMWYFYSA-N 0 0 348.830 4.414 50 0 EIAARN Cc1cccc(N2CCN(C(=O)c3ccc4ccccc4c3)C[C@@H]2C)c1 ZINC000003534327 135660398 /nfs/dbraw/zinc/66/03/98/135660398.db2.gz LKRAROZKGYJCDM-SFHVURJKSA-N 0 0 344.458 4.499 50 0 EIAARN CCC(=O)N1CCCc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000008768624 135684737 /nfs/dbraw/zinc/68/47/37/135684737.db2.gz FXDKFGGYLXCGKR-UHFFFAOYSA-N 0 0 342.826 4.282 50 0 EIAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000015309299 135707069 /nfs/dbraw/zinc/70/70/69/135707069.db2.gz YXSFDNTYXPBSRK-HNNXBMFYSA-N 0 0 342.414 4.222 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1C ZINC000017071789 135711274 /nfs/dbraw/zinc/71/12/74/135711274.db2.gz ARXDIUIVUCGUCK-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cc(C(C)C)n(C)n2)c1 ZINC000122480943 222096268 /nfs/dbraw/zinc/09/62/68/222096268.db2.gz ITGAFKPAENKMNK-GOSISDBHSA-N 0 0 325.456 4.138 50 0 EIAARN COC(=O)c1ccc(NCc2ncc(-c3cccc(F)c3)o2)cc1F ZINC000124778304 222477475 /nfs/dbraw/zinc/47/74/75/222477475.db2.gz GHBVMYOVEFDYOO-UHFFFAOYSA-N 0 0 344.317 4.019 50 0 EIAARN COc1cc(-c2noc(-c3sc([C@H](C)OC)nc3C)n2)ccc1F ZINC000328593752 262515726 /nfs/dbraw/zinc/51/57/26/262515726.db2.gz DYLVJDUOVAUNQV-VIFPVBQESA-N 0 0 349.387 4.024 50 0 EIAARN CCC[C@H](C)NC(=O)Nc1ccc(OCCc2ccccn2)cc1 ZINC000096133723 262534758 /nfs/dbraw/zinc/53/47/58/262534758.db2.gz OWHGYHUMOMQGDE-HNNXBMFYSA-N 0 0 327.428 4.013 50 0 EIAARN O=C(Nc1ccc(C(=O)OC/C=C/c2ccccc2)cc1)c1ccco1 ZINC000007791997 518200842 /nfs/dbraw/zinc/20/08/42/518200842.db2.gz NVZYETIQCULMRR-XBXARRHUSA-N 0 0 347.370 4.402 50 0 EIAARN CC(C)OC(=O)C[C@H](NC(=O)C1CCCC1)c1ccccc1Cl ZINC000029026267 519748251 /nfs/dbraw/zinc/74/82/51/519748251.db2.gz PTRGWJGNEBMRHY-INIZCTEOSA-N 0 0 337.847 4.029 50 0 EIAARN C[C@@H](C(=O)N(CC(F)(F)F)c1ccccn1)c1c(F)cccc1F ZINC000154652301 524090442 /nfs/dbraw/zinc/09/04/42/524090442.db2.gz REBLVEOBRWKINN-SNVBAGLBSA-N 0 0 344.283 4.059 50 0 EIAARN Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@@H]2c2csc(C)n2)o1 ZINC000253433209 524345581 /nfs/dbraw/zinc/34/55/81/524345581.db2.gz UADZOYVIEAXKTJ-SJKOYZFVSA-N 0 0 347.484 4.221 50 0 EIAARN COc1ccccc1Cc1noc(COc2cccc3ccccc32)n1 ZINC000000259644 524519063 /nfs/dbraw/zinc/51/90/63/524519063.db2.gz JXUATQVQSAJSSD-UHFFFAOYSA-N 0 0 346.386 4.401 50 0 EIAARN O=C(CCc1cscn1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000174654604 526642769 /nfs/dbraw/zinc/64/27/69/526642769.db2.gz ZMGCAHDXZQZFPN-FQEVSTJZSA-N 0 0 348.471 4.402 50 0 EIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)NCc1ccccc1Cl ZINC000035536486 526844314 /nfs/dbraw/zinc/84/43/14/526844314.db2.gz XLKKJMNAEIUJBX-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN CCOC(=O)c1cnc2ccccc2c1N1CCC(n2cccc2)CC1 ZINC000050932079 535714429 /nfs/dbraw/zinc/71/44/29/535714429.db2.gz BYOODRKDDNISCJ-UHFFFAOYSA-N 0 0 349.434 4.055 50 0 EIAARN COCc1ccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)s1 ZINC000215891535 536745503 /nfs/dbraw/zinc/74/55/03/536745503.db2.gz KUWKYZQMDLRGBH-UHFFFAOYSA-N 0 0 339.460 4.095 50 0 EIAARN COc1ccccc1-c1ccc(-c2ccc(-n3cccn3)cc2)nn1 ZINC000215735042 536970555 /nfs/dbraw/zinc/97/05/55/536970555.db2.gz XXWNGGUVGQXXKV-UHFFFAOYSA-N 0 0 328.375 4.005 50 0 EIAARN CC(=O)Nc1sc(C)c(-c2ccc(Cl)cc2Cl)c1C(N)=O ZINC000013327792 563695661 /nfs/dbraw/zinc/69/56/61/563695661.db2.gz ZBAGIMVODZCROB-UHFFFAOYSA-N 0 0 343.235 4.088 50 0 EIAARN Clc1nc2c(cc(Br)cc2Br)s1 ZINC000043220509 563925458 /nfs/dbraw/zinc/92/54/58/563925458.db2.gz ICDJWAROGHMGPR-UHFFFAOYSA-N 0 0 327.428 4.475 50 0 EIAARN COC(=O)c1cc(SCc2nccn2C(F)F)ccc1Cl ZINC000096460993 563953942 /nfs/dbraw/zinc/95/39/42/563953942.db2.gz JKNNEAWINVDKQE-UHFFFAOYSA-N 0 0 332.759 4.011 50 0 EIAARN Cc1cccc(-n2ccnc2SCc2nnsc2Cl)c1C ZINC000029989911 563983376 /nfs/dbraw/zinc/98/33/76/563983376.db2.gz OKUGRBXBLKPWEX-UHFFFAOYSA-N 0 0 336.873 4.286 50 0 EIAARN Fc1cc(Br)cc([C@@H](CC2CC2)NCc2ccon2)c1 ZINC000188185190 563962221 /nfs/dbraw/zinc/96/22/21/563962221.db2.gz FYGDHMMRRKUNLH-OAHLLOKOSA-N 0 0 339.208 4.207 50 0 EIAARN CCC(=O)c1cccc(NC(=O)c2sccc2Br)c1 ZINC000120643920 564033513 /nfs/dbraw/zinc/03/35/13/564033513.db2.gz QKOIVKHKYPFAPY-UHFFFAOYSA-N 0 0 338.226 4.356 50 0 EIAARN CC1(C)CCC(Nc2cc(Cl)ccc2CS(C)(=O)=O)CC1 ZINC000092169836 564088856 /nfs/dbraw/zinc/08/88/56/564088856.db2.gz IYZDQUAGVNPWSA-UHFFFAOYSA-N 0 0 329.893 4.265 50 0 EIAARN CCOc1ccc(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000041097135 564173132 /nfs/dbraw/zinc/17/31/32/564173132.db2.gz VODPRGCBVSHNNV-UHFFFAOYSA-N 0 0 340.828 4.123 50 0 EIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1C ZINC000041096709 564173133 /nfs/dbraw/zinc/17/31/33/564173133.db2.gz PPTNGWMGJHOFAS-LLVKDONJSA-N 0 0 336.284 4.255 50 0 EIAARN CO[C@@H](CNC(=O)c1ccccc1SC)c1ccc(Cl)s1 ZINC000225701552 564150347 /nfs/dbraw/zinc/15/03/47/564150347.db2.gz ZDTZWGPSXVUGIK-NSHDSACASA-N 0 0 341.885 4.241 50 0 EIAARN CC(C)CCC[C@@H](C)NC(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000002781639 564152574 /nfs/dbraw/zinc/15/25/74/564152574.db2.gz WLBOIEROULCXTD-SECBINFHSA-N 0 0 339.789 4.037 50 0 EIAARN COc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 ZINC000000094858 563223519 /nfs/dbraw/zinc/22/35/19/563223519.db2.gz KIXCTXHPNORXIK-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1c2cc(Cl)ccc2sc1C1=NO[C@@](O)(C(F)(F)F)C1 ZINC000000114837 563231352 /nfs/dbraw/zinc/23/13/52/563231352.db2.gz GNKVBQLWIZMPHX-GFCCVEGCSA-N 0 0 335.734 4.238 50 0 EIAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccnc1 ZINC000000359607 563292526 /nfs/dbraw/zinc/29/25/26/563292526.db2.gz NTZOFAMAIQTCCJ-UHFFFAOYSA-N 0 0 331.586 4.059 50 0 EIAARN Cc1cc(OC(=O)c2c(Cl)cc(Cl)cc2Cl)nc(C)n1 ZINC000001388257 563385321 /nfs/dbraw/zinc/38/53/21/563385321.db2.gz HTENBYCZJPUMAQ-UHFFFAOYSA-N 0 0 331.586 4.273 50 0 EIAARN COc1ccc(CCC(=O)c2ccc(Br)c(F)c2)cc1 ZINC000002516567 563437358 /nfs/dbraw/zinc/43/73/58/563437358.db2.gz FFTIZOIAMGJZPS-UHFFFAOYSA-N 0 0 337.188 4.412 50 0 EIAARN COc1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 ZINC000002864336 563457654 /nfs/dbraw/zinc/45/76/54/563457654.db2.gz FCWTXUWXLTXTKG-UHFFFAOYSA-N 0 0 339.819 4.360 50 0 EIAARN COc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000000030230 563211690 /nfs/dbraw/zinc/21/16/90/563211690.db2.gz WKOAORLEDJJCNV-UHFFFAOYSA-N 0 0 345.398 4.249 50 0 EIAARN CC(C)(c1ccccc1)c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000000036990 563212075 /nfs/dbraw/zinc/21/20/75/563212075.db2.gz GVSSXKBXXJWTEE-UHFFFAOYSA-N 0 0 349.430 4.301 50 0 EIAARN COc1ccccc1C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000000083291 563219372 /nfs/dbraw/zinc/21/93/72/563219372.db2.gz HODSTDVNRQQHBQ-UHFFFAOYSA-N 0 0 344.455 4.411 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC(C)CC3)cc12 ZINC000000091606 563222464 /nfs/dbraw/zinc/22/24/64/563222464.db2.gz CPENDNQPEFSYCS-UHFFFAOYSA-N 0 0 339.464 4.268 50 0 EIAARN O=C1C[C@@H](c2cccc(Cl)c2Cl)c2cc3c(cc2N1)OCO3 ZINC000000094856 563223647 /nfs/dbraw/zinc/22/36/47/563223647.db2.gz DNKMPLLKUOEGFO-VIFPVBQESA-N 0 0 336.174 4.196 50 0 EIAARN CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C)cc1 ZINC000000095866 563224228 /nfs/dbraw/zinc/22/42/28/563224228.db2.gz VADGSZGJTTYKFS-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN Cc1ccc(-c2nnc3c4c5c(sc4ncn32)C[C@H](C)CC5)cc1 ZINC000000098598 563225338 /nfs/dbraw/zinc/22/53/38/563225338.db2.gz VIJRHHOOSJBKKL-GFCCVEGCSA-N 0 0 334.448 4.439 50 0 EIAARN Cc1sc2ncnc(SCC(=O)Nc3ccccc3)c2c1C ZINC000000099012 563225374 /nfs/dbraw/zinc/22/53/74/563225374.db2.gz MJYPWKZREPCSMF-UHFFFAOYSA-N 0 0 329.450 4.039 50 0 EIAARN O=C(Nc1cccc2nsnc21)C(c1ccccc1)c1ccccc1 ZINC000000104078 563226948 /nfs/dbraw/zinc/22/69/48/563226948.db2.gz ZSOGKPXLDWFNNG-UHFFFAOYSA-N 0 0 345.427 4.462 50 0 EIAARN COc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000000116551 563232154 /nfs/dbraw/zinc/23/21/54/563232154.db2.gz ZSGGYSRELRCCEY-UHFFFAOYSA-N 0 0 333.387 4.380 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1Br ZINC000000118003 563232934 /nfs/dbraw/zinc/23/29/34/563232934.db2.gz BKGZVVBSHHXMDO-CSKARUKUSA-N 0 0 346.224 4.418 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(C)cc2Br)c(C)c1 ZINC000000121437 563234393 /nfs/dbraw/zinc/23/43/93/563234393.db2.gz JIHQZYMJYNDXDZ-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C)C2 ZINC000000127458 563237322 /nfs/dbraw/zinc/23/73/22/563237322.db2.gz DZVFAJDEKVJQMA-LBPRGKRZSA-N 0 0 342.464 4.474 50 0 EIAARN CC(=O)c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 ZINC000000133562 563239496 /nfs/dbraw/zinc/23/94/96/563239496.db2.gz KKFXBZYTUGVPBT-UHFFFAOYSA-N 0 0 325.408 4.204 50 0 EIAARN Fc1cccc(Cl)c1CSc1nnc(-n2cccc2)s1 ZINC000000139284 563241521 /nfs/dbraw/zinc/24/15/21/563241521.db2.gz IICJZPVFMBKGJV-UHFFFAOYSA-N 0 0 325.821 4.414 50 0 EIAARN O=C(Nc1ccc(Cl)c(Cl)c1Cl)N[C@@H]1CCSC1 ZINC000000141728 563242191 /nfs/dbraw/zinc/24/21/91/563242191.db2.gz AQWMUPZQKREVMJ-ZCFIWIBFSA-N 0 0 325.648 4.274 50 0 EIAARN Cc1cc(=O)[nH]c(SCc2c(Cl)ccc(Cl)c2Cl)n1 ZINC000000142222 563242604 /nfs/dbraw/zinc/24/26/04/563242604.db2.gz MHLPFBKTMJWRGJ-UHFFFAOYSA-N 0 0 335.643 4.331 50 0 EIAARN O=c1c2c3c(sc2ncn1Cc1ccc(Cl)cc1)CCCC3 ZINC000000143655 563243319 /nfs/dbraw/zinc/24/33/19/563243319.db2.gz QIDUHRZFEQAPHW-UHFFFAOYSA-N 0 0 330.840 4.039 50 0 EIAARN COc1cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1OC ZINC000000145248 563243942 /nfs/dbraw/zinc/24/39/42/563243942.db2.gz SCPLVOAMHCFWOM-UHFFFAOYSA-N 0 0 349.814 4.235 50 0 EIAARN CCOc1ccccc1OCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000000145287 563244140 /nfs/dbraw/zinc/24/41/40/563244140.db2.gz OPJAVBHGBIVHQT-UHFFFAOYSA-N 0 0 333.815 4.373 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000000147014 563244498 /nfs/dbraw/zinc/24/44/98/563244498.db2.gz LHKNVRRXZKOGJD-UHFFFAOYSA-N 0 0 331.371 4.377 50 0 EIAARN O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc(F)cc1 ZINC000000152444 563246670 /nfs/dbraw/zinc/24/66/70/563246670.db2.gz DPGXBKQJWIAATQ-UHFFFAOYSA-N 0 0 339.395 4.047 50 0 EIAARN O=C(Nc1ccc2ccccc2n1)C1=Cc2cc(Cl)ccc2OC1 ZINC000000153117 563246673 /nfs/dbraw/zinc/24/66/73/563246673.db2.gz BAGZWBCSXRKTCZ-UHFFFAOYSA-N 0 0 336.778 4.303 50 0 EIAARN Cc1cc(OCC(=O)Nc2ccc(Cl)cn2)cc(C)c1Cl ZINC000000170996 563251312 /nfs/dbraw/zinc/25/13/12/563251312.db2.gz BLBIVCQKZWOMQQ-UHFFFAOYSA-N 0 0 325.195 4.023 50 0 EIAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 ZINC000000181475 563254105 /nfs/dbraw/zinc/25/41/05/563254105.db2.gz FOPRQQCECIMJTG-UHFFFAOYSA-N 0 0 342.489 4.356 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000000193964 563257209 /nfs/dbraw/zinc/25/72/09/563257209.db2.gz VVKGZHLRJNAQMJ-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN O=C1C[C@@H](c2cccs2)Cc2nc(NCc3ccccc3)ncc21 ZINC000000193877 563257245 /nfs/dbraw/zinc/25/72/45/563257245.db2.gz JGLWGBKNRDJGHA-AWEZNQCLSA-N 0 0 335.432 4.063 50 0 EIAARN CCSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccccc1-2 ZINC000000197582 563258365 /nfs/dbraw/zinc/25/83/65/563258365.db2.gz HIGDTZJREZTXSH-CQSZACIVSA-N 0 0 342.449 4.215 50 0 EIAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000000201117 563258688 /nfs/dbraw/zinc/25/86/88/563258688.db2.gz FFNNGENLSBRBNR-FQEVSTJZSA-N 0 0 341.414 4.277 50 0 EIAARN Cc1cccc(C(=O)N(C(=O)c2cccc(C)c2)c2ncccc2C)c1 ZINC000000209624 563260529 /nfs/dbraw/zinc/26/05/29/563260529.db2.gz MQARHDHGDALSGB-UHFFFAOYSA-N 0 0 344.414 4.494 50 0 EIAARN CC(C)(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000000209965 563260788 /nfs/dbraw/zinc/26/07/88/563260788.db2.gz NHTQRJNOGFRURG-UHFFFAOYSA-N 0 0 339.464 4.032 50 0 EIAARN Fc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000234545 563263715 /nfs/dbraw/zinc/26/37/15/563263715.db2.gz JDOHALNZXSRDPZ-UHFFFAOYSA-N 0 0 338.348 4.167 50 0 EIAARN Cc1cc2ncn(C[C@@H](O)COc3ccc(C(C)C)cc3)c2cc1C ZINC000000242941 563265298 /nfs/dbraw/zinc/26/52/98/563265298.db2.gz QYWWOYGUBPJKTG-GOSISDBHSA-N 0 0 338.451 4.216 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)Nc1nc2ccccc2s1 ZINC000000242392 563265378 /nfs/dbraw/zinc/26/53/78/563265378.db2.gz JZQQZJRAGHPBJS-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN Cc1ccc2c(c1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000000245753 563265809 /nfs/dbraw/zinc/26/58/09/563265809.db2.gz DHSDQWSWBGTPCU-UHFFFAOYSA-N 0 0 328.415 4.208 50 0 EIAARN CCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000000249652 563266513 /nfs/dbraw/zinc/26/65/13/563266513.db2.gz OEYUYRKGTPKVLG-UHFFFAOYSA-N 0 0 331.441 4.237 50 0 EIAARN CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)c1ccc(C)cc1 ZINC000000258298 563267902 /nfs/dbraw/zinc/26/79/02/563267902.db2.gz SVPOIIMPJLMVLL-UHFFFAOYSA-N 0 0 336.387 4.234 50 0 EIAARN O=C(Nc1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccco1 ZINC000000280191 563271478 /nfs/dbraw/zinc/27/14/78/563271478.db2.gz PESFTZGOLAJHEO-UHFFFAOYSA-N 0 0 346.795 4.499 50 0 EIAARN Cc1c(Cl)cccc1N1C(=O)C[C@@H](Cc2ccc(Cl)cc2)C1=O ZINC000000281401 563271898 /nfs/dbraw/zinc/27/18/98/563271898.db2.gz XJFOGXZKJDUBSP-CYBMUJFWSA-N 0 0 348.229 4.424 50 0 EIAARN Cc1ccc(SCC(=O)Nc2cccc(Br)c2)cc1 ZINC000000287997 563273144 /nfs/dbraw/zinc/27/31/44/563273144.db2.gz ORNVKBUBMHKDMN-UHFFFAOYSA-N 0 0 336.254 4.488 50 0 EIAARN Cc1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1 ZINC000000291595 563273935 /nfs/dbraw/zinc/27/39/35/563273935.db2.gz GCDOUWBECPFKDT-HNNXBMFYSA-N 0 0 341.461 4.319 50 0 EIAARN CCc1cc2c(cc1OC)occ(-c1cnn(-c3ccccc3)c1)c2=O ZINC000000301942 563275955 /nfs/dbraw/zinc/27/59/55/563275955.db2.gz JWOVUMCNDIDFQQ-UHFFFAOYSA-N 0 0 346.386 4.217 50 0 EIAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 ZINC000000303104 563276733 /nfs/dbraw/zinc/27/67/33/563276733.db2.gz FTYJSFNHSZULMN-INIZCTEOSA-N 0 0 336.435 4.110 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(C)C)ccc1O ZINC000000307976 563278789 /nfs/dbraw/zinc/27/87/89/563278789.db2.gz FAGIXKMFRIRKDH-UHFFFAOYSA-N 0 0 333.815 4.495 50 0 EIAARN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1Cl ZINC000000309433 563279466 /nfs/dbraw/zinc/27/94/66/563279466.db2.gz BUWFOZQVDYJGFX-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)OC12CCCCC2 ZINC000000309893 563279896 /nfs/dbraw/zinc/27/98/96/563279896.db2.gz TZZSAZSJGUSFKK-LLVKDONJSA-N 0 0 342.222 4.198 50 0 EIAARN CC(C)C(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000000313961 563282028 /nfs/dbraw/zinc/28/20/28/563282028.db2.gz XAZORYWPDREBLV-UHFFFAOYSA-N 0 0 330.815 4.116 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)C(Cl)(Cl)Cl ZINC000000316670 563282981 /nfs/dbraw/zinc/28/29/81/563282981.db2.gz MTMWBLBLZIODRQ-UHFFFAOYSA-N 0 0 342.053 4.249 50 0 EIAARN CCOc1cc(C=O)cc(Cl)c1OC(=O)c1ccccc1Cl ZINC000000316600 563283108 /nfs/dbraw/zinc/28/31/08/563283108.db2.gz PIFBPKXRBYBMPR-UHFFFAOYSA-N 0 0 339.174 4.424 50 0 EIAARN CC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000000330786 563284957 /nfs/dbraw/zinc/28/49/57/563284957.db2.gz RTIRMCGESCTDAO-UHFFFAOYSA-N 0 0 342.445 4.230 50 0 EIAARN c1[nH]c2ccccc2c1-c1nnnn1-c1ccc(-c2ccccc2)cc1 ZINC000000340715 563286300 /nfs/dbraw/zinc/28/63/00/563286300.db2.gz MYWLNUHOXLSXFR-UHFFFAOYSA-N 0 0 337.386 4.478 50 0 EIAARN CC1(C)[C@@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@]1(C)C(=O)O2 ZINC000000351805 563289726 /nfs/dbraw/zinc/28/97/26/563289726.db2.gz XHDCTUOJVOKGGP-CVEARBPZSA-N 0 0 342.222 4.054 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000000364556 563295585 /nfs/dbraw/zinc/29/55/85/563295585.db2.gz ZJBXNJDGXJVRAV-CYBMUJFWSA-N 0 0 326.421 4.319 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000000364851 563295614 /nfs/dbraw/zinc/29/56/14/563295614.db2.gz HVXIQOLGYJSEDE-ZDUSSCGKSA-N 0 0 348.240 4.472 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000000365115 563296044 /nfs/dbraw/zinc/29/60/44/563296044.db2.gz LFDKICHIOKEEFW-ZDUSSCGKSA-N 0 0 326.421 4.319 50 0 EIAARN CCOc1c(Cl)cc(C(=O)Nc2ccccc2O)cc1Cl ZINC000000367766 563296829 /nfs/dbraw/zinc/29/68/29/563296829.db2.gz WIFIAZZPAWXUQM-UHFFFAOYSA-N 0 0 326.179 4.350 50 0 EIAARN COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OC(F)F ZINC000000374301 563298566 /nfs/dbraw/zinc/29/85/66/563298566.db2.gz JGFSZNKFKYWEQG-UHFFFAOYSA-N 0 0 333.334 4.038 50 0 EIAARN Cc1cc(OC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000000383752 563300933 /nfs/dbraw/zinc/30/09/33/563300933.db2.gz BOSWYCKBSHWGSQ-UHFFFAOYSA-N 0 0 331.371 4.467 50 0 EIAARN CCCc1nn(C)c(C(=O)Nc2cccc3ccccc32)c1Cl ZINC000000385025 563301545 /nfs/dbraw/zinc/30/15/45/563301545.db2.gz MGWYMWNIFOQFNG-UHFFFAOYSA-N 0 0 327.815 4.432 50 0 EIAARN Fc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn32)c1 ZINC000000385563 563302523 /nfs/dbraw/zinc/30/25/23/563302523.db2.gz VPGXYTABQBPOKR-UHFFFAOYSA-N 0 0 330.775 4.312 50 0 EIAARN CCN(CC)c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000000385936 563302535 /nfs/dbraw/zinc/30/25/35/563302535.db2.gz HKTKMKNQHHVOBK-UHFFFAOYSA-N 0 0 345.826 4.226 50 0 EIAARN Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000000387160 563303547 /nfs/dbraw/zinc/30/35/47/563303547.db2.gz SNNJKUFKIVOEJM-UHFFFAOYSA-N 0 0 329.465 4.227 50 0 EIAARN COc1ccc(CNC(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000000387709 563303572 /nfs/dbraw/zinc/30/35/72/563303572.db2.gz OIENSSZSAWUJOC-UHFFFAOYSA-N 0 0 329.783 4.333 50 0 EIAARN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc3ccccc32)[NH2+]1 ZINC000000408724 563307608 /nfs/dbraw/zinc/30/76/08/563307608.db2.gz VZLUBLQTLIFDKP-WOJBJXKFSA-N 0 0 342.398 4.009 50 0 biogenic EIAARN O=C1N[C@H](c2cccc(OCc3ccccc3)c2)Nc2ccccc21 ZINC000000410054 563308036 /nfs/dbraw/zinc/30/80/36/563308036.db2.gz UFQXXOKTNXKMSO-HXUWFJFHSA-N 0 0 330.387 4.120 50 0 EIAARN COc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)c(OC)c1 ZINC000000415470 563308691 /nfs/dbraw/zinc/30/86/91/563308691.db2.gz MWWNUJNGECPRCJ-UHFFFAOYSA-N 0 0 346.383 4.185 50 0 EIAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccnc1 ZINC000000422172 563309053 /nfs/dbraw/zinc/30/90/53/563309053.db2.gz WRJWGCQIMBEWFF-UHFFFAOYSA-N 0 0 330.844 4.306 50 0 EIAARN Fc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1Cl ZINC000000426395 563310102 /nfs/dbraw/zinc/31/01/02/563310102.db2.gz XMCXOGYZFGKSKT-UHFFFAOYSA-N 0 0 339.761 4.352 50 0 EIAARN CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 ZINC000000427690 563310797 /nfs/dbraw/zinc/31/07/97/563310797.db2.gz BSUNLLCMKZGFRQ-IUODEOHRSA-N 0 0 325.408 4.191 50 0 EIAARN COc1cc(NC(=O)/C=C/c2ccc(C)cc2)c(OC)cc1Cl ZINC000000442429 563314522 /nfs/dbraw/zinc/31/45/22/563314522.db2.gz IYZFNAUVIMQLIF-CMDGGOBGSA-N 0 0 331.799 4.318 50 0 EIAARN COc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000000444686 563316309 /nfs/dbraw/zinc/31/63/09/563316309.db2.gz ZLDCFLZNRZHVKH-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1 ZINC000000444639 563316314 /nfs/dbraw/zinc/31/63/14/563316314.db2.gz OTFMHOIPENBKDC-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000000445030 563316723 /nfs/dbraw/zinc/31/67/23/563316723.db2.gz DWHCSALZYNYDPF-SFQUDFHCSA-N 0 0 333.318 4.430 50 0 EIAARN COc1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000448409 563318473 /nfs/dbraw/zinc/31/84/73/563318473.db2.gz VUQOWNZXPRGAKL-UHFFFAOYSA-N 0 0 340.370 4.201 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 ZINC000000450415 563319240 /nfs/dbraw/zinc/31/92/40/563319240.db2.gz FCHVBUUPLKMDAK-UHFFFAOYSA-N 0 0 329.827 4.477 50 0 EIAARN COC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000000452218 563321014 /nfs/dbraw/zinc/32/10/14/563321014.db2.gz NEORFBNYCUSAHU-NBVRZTHBSA-N 0 0 347.370 4.246 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000000452425 563321414 /nfs/dbraw/zinc/32/14/14/563321414.db2.gz JOTGDJZLNAFHQR-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN CC(=O)c1cccc(NC(=S)NC(=O)c2cccc3ccccc32)c1 ZINC000000455001 563323325 /nfs/dbraw/zinc/32/33/25/563323325.db2.gz IBIGDOYFUFVUNR-UHFFFAOYSA-N 0 0 348.427 4.169 50 0 EIAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2F)c1 ZINC000000456024 563324004 /nfs/dbraw/zinc/32/40/04/563324004.db2.gz PCZDEHRLCIPLFJ-LLVKDONJSA-N 0 0 346.427 4.172 50 0 EIAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000000456952 563324619 /nfs/dbraw/zinc/32/46/19/563324619.db2.gz ITBBODYELCBJKY-PKNBQFBNSA-N 0 0 348.427 4.058 50 0 EIAARN CCOc1ccccc1NC(=O)Cc1ccc(Br)cc1 ZINC000000457016 563324623 /nfs/dbraw/zinc/32/46/23/563324623.db2.gz QLHAQBQPYGFSKO-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN O=C(OCc1ccc(Br)cc1)c1ccccc1Cl ZINC000000461040 563326604 /nfs/dbraw/zinc/32/66/04/563326604.db2.gz CAMNWTDKXDPDKH-UHFFFAOYSA-N 0 0 325.589 4.460 50 0 EIAARN COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC ZINC000000461834 563326726 /nfs/dbraw/zinc/32/67/26/563326726.db2.gz KFEUXNQOSMJZMA-UHFFFAOYSA-N 0 0 349.814 4.153 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 ZINC000000465398 563328047 /nfs/dbraw/zinc/32/80/47/563328047.db2.gz OTLPFTROIJAIAA-UHFFFAOYSA-N 0 0 344.842 4.348 50 0 EIAARN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2O)cc(C)c1Cl ZINC000000466999 563328790 /nfs/dbraw/zinc/32/87/90/563328790.db2.gz DXQBZKIRLKRBGR-UHFFFAOYSA-N 0 0 340.206 4.333 50 0 EIAARN Cc1ccc(F)cc1NC(=O)CSc1nc2ccccc2s1 ZINC000000469763 563330224 /nfs/dbraw/zinc/33/02/24/563330224.db2.gz YGMLSMIUTBYSPW-UHFFFAOYSA-N 0 0 332.425 4.475 50 0 EIAARN Cc1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000474926 563333497 /nfs/dbraw/zinc/33/34/97/563333497.db2.gz SGIQHXFQQOOROJ-MDZDMXLPSA-N 0 0 340.854 4.010 50 0 EIAARN Cc1ccc(SCc2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000000482145 563336750 /nfs/dbraw/zinc/33/67/50/563336750.db2.gz FQNGKRIXVKPZSE-UHFFFAOYSA-N 0 0 341.461 4.391 50 0 EIAARN C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000000482414 563337088 /nfs/dbraw/zinc/33/70/88/563337088.db2.gz SIIHVHAXTBHGEU-LLVKDONJSA-N 0 0 337.202 4.351 50 0 EIAARN Cc1ccc(C)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1 ZINC000000484118 563337999 /nfs/dbraw/zinc/33/79/99/563337999.db2.gz HGGAOFCVBOPVHT-UHFFFAOYSA-N 0 0 334.371 4.202 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000000514225 563339936 /nfs/dbraw/zinc/33/99/36/563339936.db2.gz IUWXCNCSRFYKRF-UHFFFAOYSA-N 0 0 339.416 4.163 50 0 EIAARN c1coc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)c1 ZINC000000522119 563340724 /nfs/dbraw/zinc/34/07/24/563340724.db2.gz WYZLSLCKBOQBDW-UHFFFAOYSA-N 0 0 340.386 4.482 50 0 EIAARN COc1ccccc1-c1nn2c(nnc2-c2ccccc2Cl)s1 ZINC000000525184 563341074 /nfs/dbraw/zinc/34/10/74/563341074.db2.gz GINQEEWVWWQYPF-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000000528069 563341768 /nfs/dbraw/zinc/34/17/68/563341768.db2.gz SGFLUBXYDRAHSF-UHFFFAOYSA-N 0 0 349.361 4.340 50 0 EIAARN CCOc1ccc(-c2nn3c(nnc3C3CCCCC3)s2)cc1 ZINC000000529851 563342399 /nfs/dbraw/zinc/34/23/99/563342399.db2.gz YUVXZQGZEPMCQX-UHFFFAOYSA-N 0 0 328.441 4.299 50 0 EIAARN Clc1cccc(-c2nn3c(COc4ccccc4)nnc3s2)c1 ZINC000000529902 563342434 /nfs/dbraw/zinc/34/24/34/563342434.db2.gz PHUNPGZUUPTFJQ-UHFFFAOYSA-N 0 0 342.811 4.085 50 0 EIAARN Cc1cccc(-c2nn3c(nnc3-c3ccc(Cl)cc3)s2)c1 ZINC000000532669 563343088 /nfs/dbraw/zinc/34/30/88/563343088.db2.gz VXUIMRCMXAJFSU-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN COc1ccc(CC(=O)Oc2c(C)cc(Br)cc2C)cc1 ZINC000000556140 563345477 /nfs/dbraw/zinc/34/54/77/563345477.db2.gz YQZBCWBKAJALPZ-UHFFFAOYSA-N 0 0 349.224 4.223 50 0 EIAARN Cc1cc(OCC(=O)Nc2cccc3ncccc32)ccc1Cl ZINC000000556629 563345761 /nfs/dbraw/zinc/34/57/61/563345761.db2.gz MYNUJZVIKMYYJS-UHFFFAOYSA-N 0 0 326.783 4.214 50 0 EIAARN COc1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1OC ZINC000000558567 563346817 /nfs/dbraw/zinc/34/68/17/563346817.db2.gz HVFBVHQFYVHMHN-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C ZINC000000562861 563347634 /nfs/dbraw/zinc/34/76/34/563347634.db2.gz MHFMAHYFYRPKMJ-UHFFFAOYSA-N 0 0 333.453 4.236 50 0 EIAARN CC(=O)Nc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 ZINC000000567012 563348074 /nfs/dbraw/zinc/34/80/74/563348074.db2.gz VQQISXHLRTZYRS-UHFFFAOYSA-N 0 0 345.811 4.160 50 0 EIAARN O=C(COc1ccc(OCC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000000572118 563350079 /nfs/dbraw/zinc/35/00/79/563350079.db2.gz FNPIZYZBLSYMQM-UHFFFAOYSA-N 0 0 346.382 4.210 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)NCCc1ccc(Cl)cc1 ZINC000000611043 563354144 /nfs/dbraw/zinc/35/41/44/563354144.db2.gz GKJVEDCTGREBJT-UHFFFAOYSA-N 0 0 339.222 4.366 50 0 EIAARN COc1ccc(Cl)cc1NC(=S)N1CCc2ccccc2C1 ZINC000000612283 563355285 /nfs/dbraw/zinc/35/52/85/563355285.db2.gz BTWJMSBGUZRZBY-UHFFFAOYSA-N 0 0 332.856 4.104 50 0 EIAARN CC(C)(C)c1ccc(C(=O)CSc2nnc3ccccn32)cc1 ZINC000000613617 563356395 /nfs/dbraw/zinc/35/63/95/563356395.db2.gz FFDLRBMWNMHEDL-UHFFFAOYSA-N 0 0 325.437 4.002 50 0 EIAARN CC(=O)Nc1ccc(C(=O)CSc2cccc3cccnc32)cc1 ZINC000000617495 563359442 /nfs/dbraw/zinc/35/94/42/563359442.db2.gz KCOLMGHCNYCATK-UHFFFAOYSA-N 0 0 336.416 4.168 50 0 EIAARN CC(=O)Nc1cccc(C(=O)OCc2ccc(C(C)(C)C)cc2)c1 ZINC000000618165 563359894 /nfs/dbraw/zinc/35/98/94/563359894.db2.gz KSJKEHZEYHOHTO-UHFFFAOYSA-N 0 0 325.408 4.300 50 0 EIAARN CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000620056 563361649 /nfs/dbraw/zinc/36/16/49/563361649.db2.gz IQEHDORQLVGRFF-UHFFFAOYSA-N 0 0 334.778 4.326 50 0 EIAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccncc1 ZINC000000621144 563362056 /nfs/dbraw/zinc/36/20/56/563362056.db2.gz CYBJEUVAOGHPAU-UHFFFAOYSA-N 0 0 331.586 4.059 50 0 EIAARN CCCC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1 ZINC000000621516 563362334 /nfs/dbraw/zinc/36/23/34/563362334.db2.gz LYAJKJKLCFSVRG-UHFFFAOYSA-N 0 0 338.386 4.137 50 0 EIAARN Cc1ccc(-n2cc(C=O)c(-c3ccc(Br)cc3)n2)cc1 ZINC000000732133 563362693 /nfs/dbraw/zinc/36/26/93/563362693.db2.gz IHLZZRYJEZNCKC-UHFFFAOYSA-N 0 0 341.208 4.423 50 0 EIAARN O=Cc1cn(-c2ccccc2F)nc1-c1ccc(Br)cc1 ZINC000000732166 563362754 /nfs/dbraw/zinc/36/27/54/563362754.db2.gz AVZVBECMKPOINE-UHFFFAOYSA-N 0 0 345.171 4.253 50 0 EIAARN Cc1c(C)c2cc(Cl)c(OC(=O)c3cccs3)cc2oc1=O ZINC000000858717 563364819 /nfs/dbraw/zinc/36/48/19/563364819.db2.gz CQULJQUEONGJFV-UHFFFAOYSA-N 0 0 334.780 4.344 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000000859898 563365506 /nfs/dbraw/zinc/36/55/06/563365506.db2.gz PEAWJTZAACQMFH-CQSZACIVSA-N 0 0 327.424 4.399 50 0 EIAARN N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000000975888 563366712 /nfs/dbraw/zinc/36/67/12/563366712.db2.gz WTVLGGHLKBJBRE-WUXMJOGZSA-N 0 0 339.203 4.392 50 0 EIAARN O=C(Nc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1ccco1 ZINC000001006608 563367956 /nfs/dbraw/zinc/36/79/56/563367956.db2.gz DCGIPQDGLVYLHB-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3ncnc(N)c23)cc1 ZINC000001016765 563368693 /nfs/dbraw/zinc/36/86/93/563368693.db2.gz GNOZTUOADYKOFQ-UHFFFAOYSA-N 0 0 330.366 4.389 50 0 EIAARN Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000001059747 563371905 /nfs/dbraw/zinc/37/19/05/563371905.db2.gz VULFUYXUVGQPGD-UHFFFAOYSA-N 0 0 341.798 4.270 50 0 EIAARN Cc1cccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c1C ZINC000001063811 563372617 /nfs/dbraw/zinc/37/26/17/563372617.db2.gz ZAFCCXGHEHPDQI-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN Clc1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1 ZINC000001071787 563373198 /nfs/dbraw/zinc/37/31/98/563373198.db2.gz GEJUEHXCSJLRMN-UHFFFAOYSA-N 0 0 325.549 4.413 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000001117280 563375295 /nfs/dbraw/zinc/37/52/95/563375295.db2.gz MVPZIIXKEANFCY-IJLUTSLNSA-N 0 0 330.255 4.265 50 0 EIAARN O=C(OCc1ccc(Cl)cc1)c1cc(Br)ccc1O ZINC000001164360 563376663 /nfs/dbraw/zinc/37/66/63/563376663.db2.gz JHVWVTVDJIAAKH-UHFFFAOYSA-N 0 0 341.588 4.165 50 0 EIAARN CCCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000001252163 563381680 /nfs/dbraw/zinc/38/16/80/563381680.db2.gz DIJCKRTZTNLMOA-UHFFFAOYSA-N 0 0 331.228 4.441 50 0 EIAARN Cc1ccc(-n2nc(-c3ccc(Br)cc3)cc2N)cc1 ZINC000001398715 563386999 /nfs/dbraw/zinc/38/69/99/563386999.db2.gz YUCDHYAGQPDPON-UHFFFAOYSA-N 0 0 328.213 4.192 50 0 EIAARN S=C(NC[C@H]1CCCO1)Nc1ccccc1Sc1ccccc1 ZINC000001410634 563388096 /nfs/dbraw/zinc/38/80/96/563388096.db2.gz MVHYAAMPLJSLJF-CQSZACIVSA-N 0 0 344.505 4.303 50 0 EIAARN CC(=O)N1CCc2cc(NC(=O)Nc3cccc4ccccc43)ccc21 ZINC000001431375 563388949 /nfs/dbraw/zinc/38/89/49/563388949.db2.gz UZASAPMEJYWYLC-UHFFFAOYSA-N 0 0 345.402 4.393 50 0 EIAARN COc1cccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)c1 ZINC000001456883 563389892 /nfs/dbraw/zinc/38/98/92/563389892.db2.gz CMKNABCWFGXGCW-UHFFFAOYSA-N 0 0 332.403 4.146 50 0 EIAARN O=C(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccccc1 ZINC000001501420 563391309 /nfs/dbraw/zinc/39/13/09/563391309.db2.gz IBKWILVADIXARL-UHFFFAOYSA-N 0 0 337.382 4.437 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O ZINC000001682076 563402779 /nfs/dbraw/zinc/40/27/79/563402779.db2.gz WWXPGBMLOCYWLD-UHFFFAOYSA-N 0 0 327.767 4.460 50 0 EIAARN c1ccc2[nH]c(SCCSc3nc4ccccc4[nH]3)nc2c1 ZINC000001732786 563408304 /nfs/dbraw/zinc/40/83/04/563408304.db2.gz UNRLFDLJCJWWFG-UHFFFAOYSA-N 0 0 326.450 4.324 50 0 EIAARN Fc1ccc(-c2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)cc1 ZINC000071889753 563417251 /nfs/dbraw/zinc/41/72/51/563417251.db2.gz QMAGMIJEFBSLIY-UHFFFAOYSA-N 0 0 342.345 4.111 50 0 EIAARN CCCC[C@H](CC)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 ZINC000002061777 563420396 /nfs/dbraw/zinc/42/03/96/563420396.db2.gz DZOBKGDYCGSMHA-AWEZNQCLSA-N 0 0 347.484 4.292 50 0 EIAARN CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C ZINC000002145489 563424074 /nfs/dbraw/zinc/42/40/74/563424074.db2.gz YNOAVDATUQSRBU-UHFFFAOYSA-N 0 0 343.290 4.151 50 0 aggregator EIAARN Clc1cccc(-c2nnc3sc(CCc4ccccc4)nn32)c1 ZINC000002180690 563425430 /nfs/dbraw/zinc/42/54/30/563425430.db2.gz KSKRPMQXUSMXBA-UHFFFAOYSA-N 0 0 340.839 4.291 50 0 EIAARN Cc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCCC3)n2)cc1 ZINC000002217150 563427333 /nfs/dbraw/zinc/42/73/33/563427333.db2.gz SIQRIPKVPGNHQJ-UHFFFAOYSA-N 0 0 347.418 4.338 50 0 EIAARN Cc1nn2c(ncc3c2C[C@H](C)CC3=O)c1-c1ccc(Cl)cc1 ZINC000002219583 563427343 /nfs/dbraw/zinc/42/73/43/563427343.db2.gz VOFGTLFGJBGVST-JTQLQIEISA-N 0 0 325.799 4.123 50 0 EIAARN O=C(CSC1=NCCS1)n1c2ccccc2c2ccccc21 ZINC000002267099 563428132 /nfs/dbraw/zinc/42/81/32/563428132.db2.gz WMICBGNOTYKAIM-UHFFFAOYSA-N 0 0 326.446 4.271 50 0 EIAARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)C3=O ZINC000002411999 563432002 /nfs/dbraw/zinc/43/20/02/563432002.db2.gz IJXMEENEVCBDTA-HXUWFJFHSA-N 0 0 339.822 4.358 50 0 EIAARN COc1ccccc1-c1nnc2sc(-c3ccc(Cl)cc3)nn21 ZINC000002442534 563432387 /nfs/dbraw/zinc/43/23/87/563432387.db2.gz LAYDGXZODBLRTB-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN CC(=O)c1ccc(Nc2c3c(C)nn(C)c3nc3ccccc32)cc1 ZINC000002506208 563434945 /nfs/dbraw/zinc/43/49/45/563434945.db2.gz ZZRNKPCSGRZZDS-UHFFFAOYSA-N 0 0 330.391 4.376 50 0 EIAARN Cc1sc(C)c(C2=C(c3c(C)sc(C)c3C)C(=O)NC2=O)c1C ZINC000002512319 563435308 /nfs/dbraw/zinc/43/53/08/563435308.db2.gz OHZCQTZIDIVCPI-UHFFFAOYSA-N 0 0 345.489 4.227 50 0 EIAARN COc1ccccc1CCC(=O)c1ccc(Br)c(F)c1 ZINC000002516467 563437296 /nfs/dbraw/zinc/43/72/96/563437296.db2.gz IEIMHRCOMYEVHE-UHFFFAOYSA-N 0 0 337.188 4.412 50 0 EIAARN CCOC(=O)c1ccc(C(=O)CCc2ccc(SC)cc2)cc1 ZINC000002516653 563437311 /nfs/dbraw/zinc/43/73/11/563437311.db2.gz SVCYLMPRLYOMMC-UHFFFAOYSA-N 0 0 328.433 4.401 50 0 EIAARN Fc1ccc(CSc2cc(-c3ccccc3)nc3ncnn32)cc1 ZINC000002581608 563443145 /nfs/dbraw/zinc/44/31/45/563443145.db2.gz RDRMDCQUHSPFHR-UHFFFAOYSA-N 0 0 336.395 4.223 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000002615918 563444454 /nfs/dbraw/zinc/44/44/54/563444454.db2.gz ZZAZLVFRPSQVOM-UHFFFAOYSA-N 0 0 344.414 4.493 50 0 EIAARN O=C(c1cc2ccccc2o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002632630 563444697 /nfs/dbraw/zinc/44/46/97/563444697.db2.gz QTVIGFWCKYZSED-UHFFFAOYSA-N 0 0 340.810 4.049 50 0 EIAARN Cc1cc(NC(=O)c2ccoc2C)nn1Cc1ccc(Cl)cc1 ZINC000002761963 563449543 /nfs/dbraw/zinc/44/95/43/563449543.db2.gz YULIITLOACUTDU-UHFFFAOYSA-N 0 0 329.787 4.047 50 0 EIAARN O=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 ZINC000002813419 563451866 /nfs/dbraw/zinc/45/18/66/563451866.db2.gz VGROZTVXZQANFT-UHFFFAOYSA-N 0 0 346.791 4.073 50 0 EIAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000002827075 563453270 /nfs/dbraw/zinc/45/32/70/563453270.db2.gz LQODJMHXTIXKSN-CYBMUJFWSA-N 0 0 333.815 4.453 50 0 EIAARN CC1(C)Cc2nc(NC(=O)CCCc3ccccc3)sc2C(=O)C1 ZINC000002830086 563453299 /nfs/dbraw/zinc/45/32/99/563453299.db2.gz KBDHLBDUECTXPB-UHFFFAOYSA-N 0 0 342.464 4.260 50 0 EIAARN COc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1C ZINC000002837014 563453955 /nfs/dbraw/zinc/45/39/55/563453955.db2.gz AHADDMWPSIVRIF-UHFFFAOYSA-N 0 0 347.219 4.078 50 0 EIAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000002851559 563455581 /nfs/dbraw/zinc/45/55/81/563455581.db2.gz KQHOXIMPJNTCGJ-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN CC(C)CCN1C(=O)c2ccc(-c3nc4ccccc4o3)cc2C1=O ZINC000002862818 563457426 /nfs/dbraw/zinc/45/74/26/563457426.db2.gz FEUDUAYYYHVDHQ-UHFFFAOYSA-N 0 0 334.375 4.137 50 0 EIAARN COCCSc1ccccc1C(=O)NCc1ccc(Cl)cc1 ZINC000002865318 563458137 /nfs/dbraw/zinc/45/81/37/563458137.db2.gz FPVZVKSEJHMBHY-UHFFFAOYSA-N 0 0 335.856 4.009 50 0 EIAARN O=C(NCCOc1cccc(Oc2ccccc2)c1)c1cccs1 ZINC000002875539 563459717 /nfs/dbraw/zinc/45/97/17/563459717.db2.gz IFWMERHLKNJVJW-UHFFFAOYSA-N 0 0 339.416 4.349 50 0 EIAARN COc1cc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c(OC)cc1Cl ZINC000002881206 563460717 /nfs/dbraw/zinc/46/07/17/563460717.db2.gz DKMGGPAEKYVIHK-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN O=C(Nc1ccccc1)OCCOc1ccccc1Br ZINC000002893371 563462448 /nfs/dbraw/zinc/46/24/48/563462448.db2.gz FGSMMMUZEPXRHN-UHFFFAOYSA-N 0 0 336.185 4.077 50 0 EIAARN CCOc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000002951340 563464408 /nfs/dbraw/zinc/46/44/08/563464408.db2.gz DFTPRHRBZBJMKF-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN Cc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1 ZINC000002968774 563465089 /nfs/dbraw/zinc/46/50/89/563465089.db2.gz UAOSMJIULPPIMF-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000003093770 563471825 /nfs/dbraw/zinc/47/18/25/563471825.db2.gz UCDJVHMPRYNNTL-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000003151075 563474870 /nfs/dbraw/zinc/47/48/70/563474870.db2.gz NSOLCWDIGJEIKF-UHFFFAOYSA-N 0 0 337.206 4.187 50 0 EIAARN Clc1ccc(C2=NN[C@H](c3ccc(Cl)c(Cl)c3)N2)cc1 ZINC000003179613 563475921 /nfs/dbraw/zinc/47/59/21/563475921.db2.gz BNUWZKMXJKUWTI-CQSZACIVSA-N 0 0 326.614 4.200 50 0 EIAARN COc1ccc(C(=O)Nc2c(C)[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000034794185 563479568 /nfs/dbraw/zinc/47/95/68/563479568.db2.gz AAJHPFFCALAQHR-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN COc1cccc(C(=O)Nc2c(C)[nH]nc2-c2ccccc2Cl)c1 ZINC000034796391 563480576 /nfs/dbraw/zinc/48/05/76/563480576.db2.gz PAXXFHZLCYKOPG-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN CCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)Cc1ccccc1 ZINC000034796163 563480635 /nfs/dbraw/zinc/48/06/35/563480635.db2.gz QJHGTUYAGDEWRX-UHFFFAOYSA-N 0 0 349.434 4.219 50 0 EIAARN Cc1cc(NC(=O)c2ccc(F)cc2F)nn1-c1ccc(Cl)cc1 ZINC000034907555 563482043 /nfs/dbraw/zinc/48/20/43/563482043.db2.gz DFUAMZCRTBLNMI-UHFFFAOYSA-N 0 0 347.752 4.365 50 0 EIAARN CCn1nc(C(=O)NCC2CCCCC2)cc1-c1ccc(F)c(F)c1 ZINC000034901898 563483976 /nfs/dbraw/zinc/48/39/76/563483976.db2.gz WHDCNMFHBHZEFM-UHFFFAOYSA-N 0 0 347.409 4.158 50 0 EIAARN Cc1noc(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000071894101 563488651 /nfs/dbraw/zinc/48/86/51/563488651.db2.gz RMJZIJPGSPGOSP-WDEREUQCSA-N 0 0 325.195 4.340 50 0 EIAARN CCCCc1ccc(NC(=S)NC(=O)c2cccc(OC)c2)cc1 ZINC000004560848 563505253 /nfs/dbraw/zinc/50/52/53/563505253.db2.gz MJAAMBAOHYSMKQ-UHFFFAOYSA-N 0 0 342.464 4.165 50 0 EIAARN Cc1cc(C)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2n1 ZINC000005587652 563541533 /nfs/dbraw/zinc/54/15/33/563541533.db2.gz YYQHSPXVBWZAIQ-UHFFFAOYSA-N 0 0 332.325 4.080 50 0 EIAARN Cc1ccc(N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)cc1 ZINC000005928853 563554376 /nfs/dbraw/zinc/55/43/76/563554376.db2.gz AZGAJVIHGMXBAG-UHFFFAOYSA-N 0 0 339.394 4.479 50 0 EIAARN Cc1cc(Cl)c(OCCCn2ccnc2)c(Br)c1 ZINC000006110206 563558922 /nfs/dbraw/zinc/55/89/22/563558922.db2.gz LJJHRLTYUYANBU-UHFFFAOYSA-N 0 0 329.625 4.077 50 0 EIAARN CC(C)(C)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000071909314 563573178 /nfs/dbraw/zinc/57/31/78/563573178.db2.gz KHSXHPBCGWIHGS-QHCPKHFHSA-N 0 0 329.465 4.120 50 0 EIAARN CCCCC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000071909310 563573199 /nfs/dbraw/zinc/57/31/99/563573199.db2.gz GFQZJVHSKNIARQ-QHCPKHFHSA-N 0 0 329.465 4.264 50 0 EIAARN CCO[C@H](C)c1nc(CC(=O)N(CC)[C@H]2CCCC[C@@H]2C)cs1 ZINC000071910046 563575946 /nfs/dbraw/zinc/57/59/46/563575946.db2.gz HOYAPFPYCFSQDE-LZWOXQAQSA-N 0 0 338.517 4.210 50 0 EIAARN CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000071911037 563577481 /nfs/dbraw/zinc/57/74/81/563577481.db2.gz IKHKYSYHGCEIMI-ZIAGYGMSSA-N 0 0 330.815 4.264 50 0 EIAARN CCCC(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002667178 563601566 /nfs/dbraw/zinc/60/15/66/563601566.db2.gz XMAAIXPCMMRPKL-LLVKDONJSA-N 0 0 344.069 4.365 50 0 EIAARN CCOc1ccccc1C(=O)Nc1nnc(S[C@@H](C)CC)s1 ZINC000006701619 563580099 /nfs/dbraw/zinc/58/00/99/563580099.db2.gz BQSXFAMFAFBXAG-JTQLQIEISA-N 0 0 337.470 4.080 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 ZINC000006703469 563581203 /nfs/dbraw/zinc/58/12/03/563581203.db2.gz JXEUWCNKTHCZMY-UHFFFAOYSA-N 0 0 340.423 4.291 50 0 EIAARN CCc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000006714829 563582008 /nfs/dbraw/zinc/58/20/08/563582008.db2.gz QCOWDQGQNCRMSE-UHFFFAOYSA-N 0 0 343.858 4.257 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000006715756 563582318 /nfs/dbraw/zinc/58/23/18/563582318.db2.gz UZTUJTJKFIWIHZ-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN O=C(Nc1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1 ZINC000006742132 563584258 /nfs/dbraw/zinc/58/42/58/563584258.db2.gz WADCDLAUFRFNCJ-UHFFFAOYSA-N 0 0 330.378 4.451 50 0 EIAARN CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(Cl)c1 ZINC000006819886 563587908 /nfs/dbraw/zinc/58/79/08/563587908.db2.gz KNDSJGOGTZGDSQ-INIZCTEOSA-N 0 0 349.858 4.197 50 0 EIAARN O=C(COCc1cc(-c2cccs2)on1)Nc1ccc(Cl)cc1 ZINC000006876490 563590184 /nfs/dbraw/zinc/59/01/84/563590184.db2.gz RLMSQVQLHCBEIQ-UHFFFAOYSA-N 0 0 348.811 4.212 50 0 EIAARN CC(C)c1ccc(NC(=O)COCc2cc(-c3ccco3)on2)cc1 ZINC000006876690 563590672 /nfs/dbraw/zinc/59/06/72/563590672.db2.gz YBXZSUDGBPEIHV-UHFFFAOYSA-N 0 0 340.379 4.213 50 0 EIAARN CCOc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)cc1 ZINC000002639662 563596768 /nfs/dbraw/zinc/59/67/68/563596768.db2.gz WKABREUFQGYWHR-UHFFFAOYSA-N 0 0 343.770 4.041 50 0 EIAARN O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(Cl)s1 ZINC000002641603 563597815 /nfs/dbraw/zinc/59/78/15/563597815.db2.gz NJEDOEVDJDTSLL-UHFFFAOYSA-N 0 0 346.220 4.419 50 0 EIAARN C[C@H](c1ccc(Cl)cc1)N(C(=O)NCc1ccncc1)C1CC1 ZINC000071913569 563600464 /nfs/dbraw/zinc/60/04/64/563600464.db2.gz VPLTUAKSMGHSLB-CYBMUJFWSA-N 0 0 329.831 4.170 50 0 EIAARN C[C@@H](c1ccc(Cl)cc1)N(C(=O)NCc1ccncc1)C1CC1 ZINC000071913568 563600478 /nfs/dbraw/zinc/60/04/78/563600478.db2.gz VPLTUAKSMGHSLB-ZDUSSCGKSA-N 0 0 329.831 4.170 50 0 EIAARN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000007402497 563601121 /nfs/dbraw/zinc/60/11/21/563601121.db2.gz HJZNCNNPHKNJKU-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN C[C@@H](Nc1cnn(Cc2ccccc2)c1)c1nnc(-c2ccccc2)o1 ZINC000097377364 563607931 /nfs/dbraw/zinc/60/79/31/563607931.db2.gz TUTFZQHEQYIFEV-OAHLLOKOSA-N 0 0 345.406 4.155 50 0 EIAARN COc1cccc([C@@H](C)NC(=O)c2csc3c2CC[C@@H](C)C3)c1 ZINC000002730440 563609069 /nfs/dbraw/zinc/60/90/69/563609069.db2.gz IJLMIQZTLLFXAO-CHWSQXEVSA-N 0 0 329.465 4.373 50 0 EIAARN CC[C@H](Nc1ccc(NC(C)=O)c(OC)c1)c1ccc(F)cc1F ZINC000071915833 563619997 /nfs/dbraw/zinc/61/99/97/563619997.db2.gz KRUWCSNZQFFLHB-INIZCTEOSA-N 0 0 334.366 4.495 50 0 EIAARN CC[C@@H](NC(=O)Nc1ccnn1C1CCCCC1)c1nccs1 ZINC000071915973 563620309 /nfs/dbraw/zinc/62/03/09/563620309.db2.gz XWQOFXKXJYQBMD-CYBMUJFWSA-N 0 0 333.461 4.118 50 0 EIAARN Fc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000008687357 563635266 /nfs/dbraw/zinc/63/52/66/563635266.db2.gz KJFDGACHNSDKAG-UHFFFAOYSA-N 0 0 325.206 4.397 50 0 EIAARN Cc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)s1 ZINC000032548553 563643882 /nfs/dbraw/zinc/64/38/82/563643882.db2.gz GOLJTCPIPGSPSC-UHFFFAOYSA-N 0 0 330.430 4.491 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1cnc2c(Cl)cccc2c1O ZINC000032605814 563662169 /nfs/dbraw/zinc/66/21/69/563662169.db2.gz CCIBSXZXEKHYKA-UHFFFAOYSA-N 0 0 333.174 4.087 50 0 EIAARN Cc1[nH]c2c(c1CCNC(=O)c1ccoc1C)c(Cl)ccc2C ZINC000032611099 563665396 /nfs/dbraw/zinc/66/53/96/563665396.db2.gz UAJKJXOWPMVEKB-UHFFFAOYSA-N 0 0 330.815 4.312 50 0 EIAARN O=C(Nn1cnc2ccccc21)c1cc2c(s1)CCCCCC2 ZINC000012627249 563665753 /nfs/dbraw/zinc/66/57/53/563665753.db2.gz RPHWQDRGLHDDBQ-UHFFFAOYSA-N 0 0 325.437 4.141 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)Nc2cccc(C)n2)cc1OC ZINC000012633967 563666482 /nfs/dbraw/zinc/66/64/82/563666482.db2.gz SLAQLAHTOBMBCS-UHFFFAOYSA-N 0 0 334.803 4.093 50 0 EIAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccc1 ZINC000012654137 563667054 /nfs/dbraw/zinc/66/70/54/563667054.db2.gz IPDPNJWKXNAZLI-UHFFFAOYSA-N 0 0 342.786 4.054 50 0 EIAARN CCOC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012655189 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Cc1ccc([C@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 ZINC000032754412 563727604 /nfs/dbraw/zinc/72/76/04/563727604.db2.gz WEHCBKAYTSEJOD-OAHLLOKOSA-N 0 0 325.437 4.444 50 0 EIAARN O=C(NCCC1=CCCCC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000032768521 563729923 /nfs/dbraw/zinc/72/99/23/563729923.db2.gz TWLUPHRZYBBHMK-UHFFFAOYSA-N 0 0 346.858 4.087 50 0 EIAARN CCCc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 ZINC000013947266 563732450 /nfs/dbraw/zinc/73/24/50/563732450.db2.gz GQOUGHJQJNDZOK-CQSZACIVSA-N 0 0 347.455 4.308 50 0 EIAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000013946379 563732537 /nfs/dbraw/zinc/73/25/37/563732537.db2.gz BESCLYAWQYRPRZ-UHFFFAOYSA-N 0 0 325.518 4.287 50 0 EIAARN Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000013997622 563734959 /nfs/dbraw/zinc/73/49/59/563734959.db2.gz CYHMLDKJXVCGLM-LLVKDONJSA-N 0 0 326.227 4.397 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000014019164 563736040 /nfs/dbraw/zinc/73/60/40/563736040.db2.gz LINWBSPPJUUMTL-UHFFFAOYSA-N 0 0 327.409 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ZINC000015835440 563794109 /nfs/dbraw/zinc/79/41/09/563794109.db2.gz KUXALHDKSJYPNL-GFCCVEGCSA-N 0 0 326.783 4.294 50 0 EIAARN O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(F)cc1 ZINC000015839941 563795057 /nfs/dbraw/zinc/79/50/57/563795057.db2.gz YHVVKUVJVPJEDC-GOSISDBHSA-N 0 0 340.785 4.394 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc2nsnc2c1 ZINC000015841352 563796270 /nfs/dbraw/zinc/79/62/70/563796270.db2.gz IHJUPHZTNIHVAE-UHFFFAOYSA-N 0 0 327.340 4.137 50 0 EIAARN Nc1ccccc1Oc1nc(Cl)nn1Cc1ccc(Cl)cc1 ZINC000015869098 563799371 /nfs/dbraw/zinc/79/93/71/563799371.db2.gz KKMBERLWZATSRO-UHFFFAOYSA-N 0 0 335.194 4.008 50 0 EIAARN Cc1n[nH]cc1CCCNc1nc(-c2ccsc2)nc2ccccc21 ZINC000032909010 563800424 /nfs/dbraw/zinc/80/04/24/563800424.db2.gz ATLJBFBJNZWWKF-UHFFFAOYSA-N 0 0 349.463 4.435 50 0 EIAARN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)cs2)C[C@H](C)O1 ZINC000016080042 563802912 /nfs/dbraw/zinc/80/29/12/563802912.db2.gz BHWKBOLYOPDXJM-TXEJJXNPSA-N 0 0 335.856 4.318 50 0 EIAARN Cc1c(C(=O)c2ccc(Cl)cc2)cnc2cc3c(cc12)OCO3 ZINC000016266582 563807045 /nfs/dbraw/zinc/80/70/45/563807045.db2.gz NDDPCJNCCFWITR-UHFFFAOYSA-N 0 0 325.751 4.156 50 0 EIAARN Cc1cccc(Nc2ncc3[nH]c(=S)n(-c4cccc(C)c4)c3n2)c1 ZINC000016349775 563809383 /nfs/dbraw/zinc/80/93/83/563809383.db2.gz MFECBLHNNQJLPW-UHFFFAOYSA-N 0 0 347.447 4.465 50 0 EIAARN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 ZINC000032914214 563811198 /nfs/dbraw/zinc/81/11/98/563811198.db2.gz QESPPESNOULDFD-GUYCJALGSA-N 0 0 345.402 4.082 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cs1 ZINC000016504514 563813511 /nfs/dbraw/zinc/81/35/11/563813511.db2.gz WQIVTTJEOHELSG-UHFFFAOYSA-N 0 0 326.396 4.439 50 0 EIAARN Cc1ccnc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 ZINC000016649035 563818962 /nfs/dbraw/zinc/81/89/62/563818962.db2.gz JKAOLNCCMJDSAH-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN Cc1cccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C(C)C)c1 ZINC000016651396 563819456 /nfs/dbraw/zinc/81/94/56/563819456.db2.gz AEVSJVLPRIVMGS-UHFFFAOYSA-N 0 0 338.386 4.091 50 0 EIAARN O=C(Nc1nnc(C2CCCCC2)s1)c1ccc2ccccc2n1 ZINC000016722082 563821487 /nfs/dbraw/zinc/82/14/87/563821487.db2.gz YHUYIWZAFHQCBQ-UHFFFAOYSA-N 0 0 338.436 4.386 50 0 EIAARN Cc1ccccc1N1C(=S)N=NC1CSCc1ccccc1 ZINC000017067129 563831367 /nfs/dbraw/zinc/83/13/67/563831367.db2.gz RJWWBQGNYDMJMS-UHFFFAOYSA-N 0 0 327.478 4.298 50 0 EIAARN CCc1c(C)scc1C1N=NC(=S)N1CCc1ccccc1 ZINC000017067596 563831671 /nfs/dbraw/zinc/83/16/71/563831671.db2.gz OVWUXGDKRGHJQB-UHFFFAOYSA-N 0 0 329.494 4.409 50 0 EIAARN CCOc1ccc(-n2c(=O)c3cc(CC)sc3[nH]c2=S)cc1 ZINC000017068445 563832356 /nfs/dbraw/zinc/83/23/56/563832356.db2.gz BZFPFVDSHAZXHA-UHFFFAOYSA-N 0 0 332.450 4.071 50 0 EIAARN C[C@H](Sc1ccc(N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000017071213 563834206 /nfs/dbraw/zinc/83/42/06/563834206.db2.gz UWAAAUZTMKPFFH-JTQLQIEISA-N 0 0 340.370 4.407 50 0 EIAARN Cc1cc(C)n(-c2ccc(CCNC(=O)CCC3CCCC3)cc2)n1 ZINC000032930414 563840918 /nfs/dbraw/zinc/84/09/18/563840918.db2.gz JRZBRACFDVMSHJ-UHFFFAOYSA-N 0 0 339.483 4.118 50 0 EIAARN Cc1cccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)c1C ZINC000032930348 563841034 /nfs/dbraw/zinc/84/10/34/563841034.db2.gz RSKBFURFDVTVST-UHFFFAOYSA-N 0 0 346.430 4.207 50 0 EIAARN CN(C)CC(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000000394250 563842257 /nfs/dbraw/zinc/84/22/57/563842257.db2.gz UGIJYMCHZFLGRU-UHFFFAOYSA-N 0 0 339.222 4.286 50 0 EIAARN Cc1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c(C)c1 ZINC000017988442 563846998 /nfs/dbraw/zinc/84/69/98/563846998.db2.gz JFWAHTOTLIRFHK-QRVBRYPASA-N 0 0 333.431 4.377 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)NCCCCN(C)c2ccccc2)C1(C)C ZINC000072017276 563860480 /nfs/dbraw/zinc/86/04/80/563860480.db2.gz ZCPAHDQDKSFPLY-MOPGFXCFSA-N 0 0 328.500 4.258 50 0 EIAARN O=c1c2ccccc2ncn1Cc1cccc(OCc2ccccc2)c1 ZINC000072047601 563860571 /nfs/dbraw/zinc/86/05/71/563860571.db2.gz KAUYEBYGSCRHBQ-UHFFFAOYSA-N 0 0 342.398 4.024 50 0 EIAARN Cc1nn2c(nc(C)cc2N2CCC(C)CC2)c1-c1ccc(F)cc1 ZINC000021798839 563861277 /nfs/dbraw/zinc/86/12/77/563861277.db2.gz OYUMHDXXDPXMLY-UHFFFAOYSA-N 0 0 338.430 4.389 50 0 EIAARN COc1cccc(C(=O)c2sc(Nc3cccc(C)c3)nc2N)c1 ZINC000032947587 563864369 /nfs/dbraw/zinc/86/43/69/563864369.db2.gz PNVQCOXJYUWLBC-UHFFFAOYSA-N 0 0 339.420 4.017 50 0 EIAARN Cc1ccc(Nc2nc(N)c(C(=O)c3ccc(F)cc3)s2)c(C)c1 ZINC000032948125 563864953 /nfs/dbraw/zinc/86/49/53/563864953.db2.gz VPMPIOGHQOPMSC-UHFFFAOYSA-N 0 0 341.411 4.456 50 0 EIAARN O=C(Nc1ccccc1N1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000023793085 563867499 /nfs/dbraw/zinc/86/74/99/563867499.db2.gz JGHLHVHYAJONDF-UHFFFAOYSA-N 0 0 346.434 4.115 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2ccccc2)s1 ZINC000024022175 563868244 /nfs/dbraw/zinc/86/82/44/563868244.db2.gz KTRYFZBQYYWOOE-UHFFFAOYSA-N 0 0 327.434 4.396 50 0 EIAARN FC(F)(F)c1ccnc(N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000024053956 563868804 /nfs/dbraw/zinc/86/88/04/563868804.db2.gz BJZIAWYMLAAXOF-HNNXBMFYSA-N 0 0 330.313 4.092 50 0 EIAARN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1Cl ZINC000024484741 563871938 /nfs/dbraw/zinc/87/19/38/563871938.db2.gz PVSOFFOZZUHZQK-PBHICJAKSA-N 0 0 349.858 4.195 50 0 EIAARN COc1ccc2nc(NC(=O)[C@@H](C)Sc3ccccc3)sc2c1 ZINC000024761121 563875416 /nfs/dbraw/zinc/87/54/16/563875416.db2.gz FBAQITGABRXQMN-LLVKDONJSA-N 0 0 344.461 4.424 50 0 EIAARN CCC[C@H](C)NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000024831203 563876228 /nfs/dbraw/zinc/87/62/28/563876228.db2.gz WXVRDZXRWQWMRP-NSHDSACASA-N 0 0 341.386 4.256 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000024964741 563878272 /nfs/dbraw/zinc/87/82/72/563878272.db2.gz MJQVAFOUZTXQLZ-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN O=C(NCCCCOc1ccc(Cl)cc1)Nc1ccccc1F ZINC000024990352 563879496 /nfs/dbraw/zinc/87/94/96/563879496.db2.gz UZGYOBXMGDFKFK-UHFFFAOYSA-N 0 0 336.794 4.460 50 0 EIAARN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(F)c1 ZINC000025213962 563882350 /nfs/dbraw/zinc/88/23/50/563882350.db2.gz CVGHJTKDZQMWIK-SNVBAGLBSA-N 0 0 342.292 4.163 50 0 EIAARN CCOc1ccc([C@H]2CCCN2C(=O)c2ccnc(Cl)c2)cc1 ZINC000025386568 563884317 /nfs/dbraw/zinc/88/43/17/563884317.db2.gz IXXAZDDZGOKVFX-MRXNPFEDSA-N 0 0 330.815 4.111 50 0 EIAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccccc3C)cc2s1 ZINC000025425921 563884635 /nfs/dbraw/zinc/88/46/35/563884635.db2.gz SCBSTENFBMEVJB-GFCCVEGCSA-N 0 0 325.437 4.352 50 0 EIAARN CCCCn1nc(C)c(C(=O)NCc2ccc(Cl)s2)c1Cl ZINC000025520694 563885440 /nfs/dbraw/zinc/88/54/40/563885440.db2.gz AAVIAHFBCWOSCV-UHFFFAOYSA-N 0 0 346.283 4.290 50 0 EIAARN COc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1OC(F)F ZINC000025531593 563885771 /nfs/dbraw/zinc/88/57/71/563885771.db2.gz POFVWDHYPYHUOZ-UHFFFAOYSA-N 0 0 344.317 4.097 50 0 EIAARN O=C(Cc1csc(-c2ccco2)n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000025530095 563885805 /nfs/dbraw/zinc/88/58/05/563885805.db2.gz WLTGVPPFUWPJRC-HIFRSBDPSA-N 0 0 330.453 4.127 50 0 EIAARN C[C@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000025601382 563886450 /nfs/dbraw/zinc/88/64/50/563886450.db2.gz LYVRAMUVXBZVOR-NSHDSACASA-N 0 0 340.320 4.134 50 0 EIAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc(C2CC2)on1 ZINC000025624149 563886776 /nfs/dbraw/zinc/88/67/76/563886776.db2.gz PTAIRBSIVSVWOH-GOSISDBHSA-N 0 0 332.403 4.266 50 0 EIAARN O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000025681204 563887414 /nfs/dbraw/zinc/88/74/14/563887414.db2.gz NXGDUQBUXJPLTG-NRFANRHFSA-N 0 0 347.458 4.228 50 0 EIAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2ncc3ccccn32)c(C)c1 ZINC000026372599 563891182 /nfs/dbraw/zinc/89/11/82/563891182.db2.gz CQACLAGNADHSGN-HNNXBMFYSA-N 0 0 339.464 4.379 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)s1)O[C@H](C)C2 ZINC000026886632 563893978 /nfs/dbraw/zinc/89/39/78/563893978.db2.gz IQTVQVAVDUHMNJ-LLVKDONJSA-N 0 0 331.437 4.339 50 0 EIAARN COc1ccccc1[C@@H](C)N(C)C(=O)NCCSc1ccccc1 ZINC000027359130 563895292 /nfs/dbraw/zinc/89/52/92/563895292.db2.gz CPDMWIGOQITKNX-OAHLLOKOSA-N 0 0 344.480 4.190 50 0 EIAARN CC[C@H](NC(=O)Cc1ccccc1OC)c1ccccc1OC(F)F ZINC000027353085 563895298 /nfs/dbraw/zinc/89/52/98/563895298.db2.gz UPSGSRWGLXBUBM-HNNXBMFYSA-N 0 0 349.377 4.107 50 0 EIAARN CCC(CC)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000027663748 563898499 /nfs/dbraw/zinc/89/84/99/563898499.db2.gz FWDZURFFSFZLPW-SFHVURJKSA-N 0 0 336.907 4.419 50 0 EIAARN Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccccn2)cc1 ZINC000027664015 563898586 /nfs/dbraw/zinc/89/85/86/563898586.db2.gz JAECINCSXZXFPR-UHFFFAOYSA-N 0 0 338.432 4.064 50 0 EIAARN CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000027822717 563899924 /nfs/dbraw/zinc/89/99/24/563899924.db2.gz MCTLWYLIZUERGK-CYBMUJFWSA-N 0 0 345.892 4.000 50 0 EIAARN Cc1cc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCC2)no1 ZINC000027940737 563900374 /nfs/dbraw/zinc/90/03/74/563900374.db2.gz RVWJRURMDGDARJ-ZDUSSCGKSA-N 0 0 348.472 4.031 50 0 EIAARN CCOc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)cc1 ZINC000027992279 563900814 /nfs/dbraw/zinc/90/08/14/563900814.db2.gz YMPPMNXZVCIVJX-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN Cc1cccc(-n2ccnc2SCc2noc(C(C)(C)C)n2)c1C ZINC000028013541 563901243 /nfs/dbraw/zinc/90/12/43/563901243.db2.gz ZWMFSOBPVLGVLI-UHFFFAOYSA-N 0 0 342.468 4.462 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000028199694 563901736 /nfs/dbraw/zinc/90/17/36/563901736.db2.gz AXUSPFMWYLPGAG-KBPBESRZSA-N 0 0 332.444 4.152 50 0 EIAARN C[C@@H](Nc1nc2ccccc2s1)C(=O)NCCC1=CCCCC1 ZINC000028437831 563902892 /nfs/dbraw/zinc/90/28/92/563902892.db2.gz LATNFCAYPCNABE-CYBMUJFWSA-N 0 0 329.469 4.103 50 0 EIAARN C[C@H](C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1)n1cccn1 ZINC000028504818 563903109 /nfs/dbraw/zinc/90/31/09/563903109.db2.gz SWLWUTPAISRCOT-FOIQADDNSA-N 0 0 345.402 4.096 50 0 EIAARN C[C@H](C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1)n1cccn1 ZINC000028504814 563903120 /nfs/dbraw/zinc/90/31/20/563903120.db2.gz SWLWUTPAISRCOT-QRWLVFNGSA-N 0 0 345.402 4.096 50 0 EIAARN Cc1ccsc1CNC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000029235971 563905285 /nfs/dbraw/zinc/90/52/85/563905285.db2.gz KGWKOEIKRNMIAG-UHFFFAOYSA-N 0 0 332.425 4.249 50 0 EIAARN CN1C(=O)N(Cc2ccc(C(C)(C)C)cc2)C(=O)C12CCCCC2 ZINC000029464812 563906591 /nfs/dbraw/zinc/90/65/91/563906591.db2.gz RXJZERBXIOWQRW-UHFFFAOYSA-N 0 0 328.456 4.081 50 0 EIAARN O=C(COc1ccccc1C(F)(F)F)Nc1nc(C2CC2)cs1 ZINC000029685461 563907887 /nfs/dbraw/zinc/90/78/87/563907887.db2.gz OQEOPFKTQPKYRH-UHFFFAOYSA-N 0 0 342.342 4.057 50 0 EIAARN COc1ccc2[nH]c(S[C@H](C)c3nc(-c4ccco4)no3)nc2c1 ZINC000029737589 563908231 /nfs/dbraw/zinc/90/82/31/563908231.db2.gz WEXDRXMQVZISFI-SECBINFHSA-N 0 0 342.380 4.068 50 0 EIAARN Cc1csc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)n1 ZINC000029779316 563908505 /nfs/dbraw/zinc/90/85/05/563908505.db2.gz UEFYEWGVZCZTHR-UHFFFAOYSA-N 0 0 338.436 4.075 50 0 EIAARN CN1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC000030028997 563909401 /nfs/dbraw/zinc/90/94/01/563909401.db2.gz DIYWWBNBXYNLAM-KRWDZBQOSA-N 0 0 349.261 4.122 50 0 EIAARN COc1ccc(C)cc1CCNC(=O)C1(c2ccccc2)CCCC1 ZINC000030156721 563909577 /nfs/dbraw/zinc/90/95/77/563909577.db2.gz PTFJPUMUZNAECQ-UHFFFAOYSA-N 0 0 337.463 4.174 50 0 EIAARN Cn1ccnc1[C@@H](NCc1ccc2ccccc2c1)c1ccccc1 ZINC000030643381 563910177 /nfs/dbraw/zinc/91/01/77/563910177.db2.gz QYKFJHXEZIHLAK-NRFANRHFSA-N 0 0 327.431 4.453 50 0 EIAARN Brc1ccc([C@@H](NCc2ccon2)c2ccccc2)cc1 ZINC000072293928 563910730 /nfs/dbraw/zinc/91/07/30/563910730.db2.gz WKWBEPHRGHDDOC-KRWDZBQOSA-N 0 0 343.224 4.316 50 0 EIAARN O=C(Nc1ccccn1)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000030952711 563911858 /nfs/dbraw/zinc/91/18/58/563911858.db2.gz UCQREEGQHCUJDD-UHFFFAOYSA-N 0 0 341.370 4.051 50 0 EIAARN Cc1c(C(=O)N2C[C@@H](C)CCC[C@H]2C)sc2nc(C)nc(C)c12 ZINC000072295438 563912182 /nfs/dbraw/zinc/91/21/82/563912182.db2.gz DDGCWOKATKYXEN-WDEREUQCSA-N 0 0 331.485 4.267 50 0 EIAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccc(Cl)cc1)c3=O ZINC000033088859 563915252 /nfs/dbraw/zinc/91/52/52/563915252.db2.gz KMFLACBMGDOPPB-NSHDSACASA-N 0 0 338.794 4.024 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258035 563915424 /nfs/dbraw/zinc/91/54/24/563915424.db2.gz QFEDNGLOMLZQOA-OAHLLOKOSA-N 0 0 346.434 4.416 50 0 EIAARN Cc1coc(-c2cccc(NC(=O)N[C@@H]3CCOc4ccccc43)c2)n1 ZINC000177422832 563916132 /nfs/dbraw/zinc/91/61/32/563916132.db2.gz MAPFVUZCZQVSBJ-QGZVFWFLSA-N 0 0 349.390 4.295 50 0 EIAARN CC(=O)Nc1nc2ccc(NC(=O)CC3CCCCC3)cc2s1 ZINC000032961186 563916642 /nfs/dbraw/zinc/91/66/42/563916642.db2.gz AFTHHIWMCNLXDK-UHFFFAOYSA-N 0 0 331.441 4.164 50 0 EIAARN Brc1cccc(OCCCCSc2ncccn2)c1 ZINC000002844390 563916901 /nfs/dbraw/zinc/91/69/01/563916901.db2.gz WFQMLZYRNNQNED-UHFFFAOYSA-N 0 0 339.258 4.190 50 0 EIAARN O[C@@H](c1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 ZINC000000035077 563916925 /nfs/dbraw/zinc/91/69/25/563916925.db2.gz OFJRMQYUMVEPRV-HXUWFJFHSA-N 0 0 332.378 4.305 50 0 EIAARN CC[C@H](C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1 ZINC000000206254 563917037 /nfs/dbraw/zinc/91/70/37/563917037.db2.gz ICKUJBPPTAGAHH-JTQLQIEISA-N 0 0 349.228 4.316 50 0 EIAARN Cc1nc(NC2CCCCC2)sc1C(=O)NCCc1cccs1 ZINC000071326712 563917794 /nfs/dbraw/zinc/91/77/94/563917794.db2.gz SOQUVQJTJANMLL-UHFFFAOYSA-N 0 0 349.525 4.230 50 0 EIAARN CCOCc1c2ccccc2oc1C(=O)N1CCc2ccccc2C1 ZINC000032975403 563920532 /nfs/dbraw/zinc/92/05/32/563920532.db2.gz LGTXQGXZDSSLKH-UHFFFAOYSA-N 0 0 335.403 4.168 50 0 EIAARN Cc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000013494950 563920872 /nfs/dbraw/zinc/92/08/72/563920872.db2.gz SQDPXVGFRWFMAE-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1cccc(-c2noc([C@H](C)NC(=O)c3cccc(Cl)c3)n2)c1 ZINC000013495264 563921181 /nfs/dbraw/zinc/92/11/81/563921181.db2.gz OCQYWOAWGCQTIV-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000013496542 563921873 /nfs/dbraw/zinc/92/18/73/563921873.db2.gz KEOHLLMOOUKYOC-BOPFTXTBSA-N 0 0 334.400 4.419 50 0 aggregator EIAARN Cc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)s1 ZINC000097938584 563923047 /nfs/dbraw/zinc/92/30/47/563923047.db2.gz DJHUGERWGOVKPL-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN O=C(c1nc2ccccn2c1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000097939336 563923879 /nfs/dbraw/zinc/92/38/79/563923879.db2.gz LHBMVUOLBACASD-UHFFFAOYSA-N 0 0 339.826 4.281 50 0 EIAARN Cc1c(Cl)ccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1Cl ZINC000041095128 563924269 /nfs/dbraw/zinc/92/42/69/563924269.db2.gz NEGSWUUJKOPRRH-LLVKDONJSA-N 0 0 344.263 4.341 50 0 EIAARN Cc1ccccc1-c1noc(-c2cccnc2NCc2ccccn2)n1 ZINC000033004314 563924657 /nfs/dbraw/zinc/92/46/57/563924657.db2.gz KQYLOLBOWGFRMK-UHFFFAOYSA-N 0 0 343.390 4.114 50 0 EIAARN CCc1[nH]nc(-c2ccc(OC)cc2)c1NC(=O)c1ccccc1F ZINC000034796931 563926520 /nfs/dbraw/zinc/92/65/20/563926520.db2.gz KDWJPWYUIJIWRP-UHFFFAOYSA-N 0 0 339.370 4.039 50 0 EIAARN C[C@@H](Cc1ccc2ccccc2n1)Sc1nnnn1C1CCCC1 ZINC000072312951 563929414 /nfs/dbraw/zinc/92/94/14/563929414.db2.gz LBYDYOCVQUEIKL-ZDUSSCGKSA-N 0 0 339.468 4.060 50 0 EIAARN COCCN(C(=S)Nc1cccc(C)c1C)[C@H](C)c1ccco1 ZINC000013543424 563929826 /nfs/dbraw/zinc/92/98/26/563929826.db2.gz NZXKBFFLEHKUQS-OAHLLOKOSA-N 0 0 332.469 4.303 50 0 EIAARN Cc1ccc(-c2nc(N3C[C@H](C)O[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072314707 563930774 /nfs/dbraw/zinc/93/07/74/563930774.db2.gz JTZNBPKYISTZHL-HOTGVXAUSA-N 0 0 333.435 4.219 50 0 EIAARN CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(F)c(N(C)C)c(F)c1 ZINC000071915969 563932526 /nfs/dbraw/zinc/93/25/26/563932526.db2.gz IVHPDRPWMBPHMM-INIZCTEOSA-N 0 0 348.397 4.041 50 0 EIAARN COc1ccc([C@@H](c2ccccc2)N(Cc2ccco2)C(C)=O)cc1 ZINC000013729396 563932550 /nfs/dbraw/zinc/93/25/50/563932550.db2.gz PUHLOALWCHAFHJ-OAQYLSRUSA-N 0 0 335.403 4.426 50 0 EIAARN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1cccs1 ZINC000071326702 563932768 /nfs/dbraw/zinc/93/27/68/563932768.db2.gz QOWLBYYMYCVRMU-UHFFFAOYSA-N 0 0 335.498 4.188 50 0 EIAARN CC(=O)c1cccc(NC(=O)N(Cc2ccc(O)cc2)CC2CC2)c1 ZINC000060358362 563933243 /nfs/dbraw/zinc/93/32/43/563933243.db2.gz ZKUDHMUANMOJNM-UHFFFAOYSA-N 0 0 338.407 4.039 50 0 EIAARN Cc1cc(NC(=O)NCCSC2CCCC2)ccc1N1CCCC1 ZINC000057981363 563936188 /nfs/dbraw/zinc/93/61/88/563936188.db2.gz IYMLWWOULIEUAP-UHFFFAOYSA-N 0 0 347.528 4.393 50 0 EIAARN CC(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000014258072 563936831 /nfs/dbraw/zinc/93/68/31/563936831.db2.gz FZWNDNQTDJIEPC-UHFFFAOYSA-N 0 0 331.169 4.216 50 0 EIAARN CCn1cc2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2n1 ZINC000058022962 563936848 /nfs/dbraw/zinc/93/68/48/563936848.db2.gz NERDDHBQOOCEQZ-UHFFFAOYSA-N 0 0 329.403 4.391 50 0 EIAARN COC(=O)N(C)c1ccccc1C(=O)Nc1ccc(Cl)cc1C ZINC000058030144 563936934 /nfs/dbraw/zinc/93/69/34/563936934.db2.gz SBTSJSGVZKNELI-UHFFFAOYSA-N 0 0 332.787 4.103 50 0 EIAARN Cc1ccc(C(=O)N[C@H]2CCCc3nc(-c4ccccc4)sc32)cn1 ZINC000058157728 563938097 /nfs/dbraw/zinc/93/80/97/563938097.db2.gz XOWHLNTWXJSSKD-INIZCTEOSA-N 0 0 349.459 4.321 50 0 EIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2C[C@H]2c2ccco2)c1 ZINC000058195262 563939563 /nfs/dbraw/zinc/93/95/63/563939563.db2.gz MMHVDLGECVANQP-NEPJUHHUSA-N 0 0 332.787 4.024 50 0 EIAARN CC(=O)c1c[nH]c(C(=O)N2CC=C(c3cccc4ccccc43)CC2)c1 ZINC000058217491 563940098 /nfs/dbraw/zinc/94/00/98/563940098.db2.gz SVNOLBCCUYBPCO-UHFFFAOYSA-N 0 0 344.414 4.300 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1 ZINC000058231031 563940480 /nfs/dbraw/zinc/94/04/80/563940480.db2.gz CANUIGALHIAZRZ-YJBOKZPZSA-N 0 0 337.467 4.144 50 0 EIAARN CCCN(C)c1ccc(C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 ZINC000058258266 563940993 /nfs/dbraw/zinc/94/09/93/563940993.db2.gz IQSVTRACHKJBFQ-UHFFFAOYSA-N 0 0 328.460 4.179 50 0 EIAARN O=C(CC(F)(F)F)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000058264035 563940997 /nfs/dbraw/zinc/94/09/97/563940997.db2.gz IYBUBEZYQGIRHV-UHFFFAOYSA-N 0 0 346.692 4.076 50 0 EIAARN C[C@@H](NC(=O)c1ccc2nccn2c1)c1ccc(-c2ccccc2)cc1 ZINC000058300418 563941988 /nfs/dbraw/zinc/94/19/88/563941988.db2.gz GLSXZYSRYUNKED-MRXNPFEDSA-N 0 0 341.414 4.492 50 0 EIAARN COc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(C)C)cs1 ZINC000058343929 563943095 /nfs/dbraw/zinc/94/30/95/563943095.db2.gz LTBWPKNNBJGEIP-OAHLLOKOSA-N 0 0 330.453 4.079 50 0 EIAARN C[C@H](Nc1cccc(COCC2CC2)c1)C(=O)Nc1ccccc1F ZINC000058355531 563943324 /nfs/dbraw/zinc/94/33/24/563943324.db2.gz BKGAVDNWUGJJKB-AWEZNQCLSA-N 0 0 342.414 4.191 50 0 EIAARN Cc1nc2ccccc2nc1NCc1cccc(OC[C@H]2CCCO2)c1 ZINC000058356547 563943498 /nfs/dbraw/zinc/94/34/98/563943498.db2.gz XONJPVMGLGUISW-GOSISDBHSA-N 0 0 349.434 4.108 50 0 EIAARN O=C(CCSCc1ccccn1)N[C@@H]1CCSc2ccccc21 ZINC000058357199 563943591 /nfs/dbraw/zinc/94/35/91/563943591.db2.gz YLKYDJGZXKBAOJ-MRXNPFEDSA-N 0 0 344.505 4.058 50 0 EIAARN Cc1noc([C@H](C)Nc2ccc(OCc3ccccn3)c(Cl)c2)n1 ZINC000058367115 563943886 /nfs/dbraw/zinc/94/38/86/563943886.db2.gz ZSPIQSKHTWPUPJ-NSHDSACASA-N 0 0 344.802 4.179 50 0 EIAARN Cc1[nH]c2ccc(C(=O)NCCO[C@H]3CCCC[C@H]3C)cc2c1C ZINC000058370501 563944066 /nfs/dbraw/zinc/94/40/66/563944066.db2.gz BWTCPMNMSJBRDK-YJYMSZOUSA-N 0 0 328.456 4.110 50 0 EIAARN CC(C)c1ccc2c(c1)CCCN2C(=O)c1cccc2c1OCCO2 ZINC000058393610 563944735 /nfs/dbraw/zinc/94/47/35/563944735.db2.gz HBMPSXPUJITVIL-UHFFFAOYSA-N 0 0 337.419 4.174 50 0 EIAARN Cc1ccc(-c2csc3ncnc(N[C@H](C)C(C)(C)O)c23)cc1 ZINC000058407152 563945145 /nfs/dbraw/zinc/94/51/45/563945145.db2.gz RWWLKXYPECIENS-GFCCVEGCSA-N 0 0 327.453 4.238 50 0 EIAARN Cc1nnc2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cn12 ZINC000058427078 563946155 /nfs/dbraw/zinc/94/61/55/563946155.db2.gz AYVRSQVYJNLJPE-UHFFFAOYSA-N 0 0 343.390 4.034 50 0 EIAARN Cc1ccc(CS(=O)(=O)Cc2csc(CCC(C)C)n2)cc1 ZINC000058439336 563946515 /nfs/dbraw/zinc/94/65/15/563946515.db2.gz UWCPNUNCGPJNGF-UHFFFAOYSA-N 0 0 337.510 4.155 50 0 EIAARN c1ccn(C2CCN(Cc3csc(Cc4ccccc4)n3)CC2)c1 ZINC000058526158 563946712 /nfs/dbraw/zinc/94/67/12/563946712.db2.gz FHWKNEAHGDFVNR-UHFFFAOYSA-N 0 0 337.492 4.373 50 0 EIAARN CCCn1c(=O)c2ccccc2nc1SCc1ccccc1F ZINC000059094194 563947619 /nfs/dbraw/zinc/94/76/19/563947619.db2.gz GITNXIAETGLAQW-UHFFFAOYSA-N 0 0 328.412 4.238 50 0 EIAARN CC[C@H](C)Sc1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000059332010 563947982 /nfs/dbraw/zinc/94/79/82/563947982.db2.gz LAZPUPWUPHFSHZ-QMMMGPOBSA-N 0 0 327.862 4.334 50 0 EIAARN CCc1ccsc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000096409372 563950238 /nfs/dbraw/zinc/95/02/38/563950238.db2.gz TUZMBXOIODMRSF-UHFFFAOYSA-N 0 0 345.308 4.267 50 0 EIAARN CS(=O)(=O)c1ccccc1SCc1ccc(F)c2cccnc12 ZINC000096410926 563950688 /nfs/dbraw/zinc/95/06/88/563950688.db2.gz XTOSDHNKDFNIJF-UHFFFAOYSA-N 0 0 347.436 4.070 50 0 EIAARN Cc1cc(C)cc(NC(=O)CN2C[C@H](C)Sc3ccccc32)c1 ZINC000033059226 563951614 /nfs/dbraw/zinc/95/16/14/563951614.db2.gz IBAOCPGPETXRMZ-HNNXBMFYSA-N 0 0 326.465 4.243 50 0 EIAARN COCc1nc(COc2c(Cl)c(Cl)ccc2C(C)=O)cs1 ZINC000096428874 563952275 /nfs/dbraw/zinc/95/22/75/563952275.db2.gz WOBWGHANFREPKO-UHFFFAOYSA-N 0 0 346.235 4.378 50 0 EIAARN O=C(Nc1cccc(OCc2cccnc2)c1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000096434141 563952925 /nfs/dbraw/zinc/95/29/25/563952925.db2.gz XIUCZAZMABKOOI-ROUUACIJSA-N 0 0 349.434 4.091 50 0 EIAARN COCc1ccccc1NC(=O)N1CCSC[C@@H]1c1ccc(C)o1 ZINC000096434005 563952927 /nfs/dbraw/zinc/95/29/27/563952927.db2.gz CVBBEWWYLBYDTM-MRXNPFEDSA-N 0 0 346.452 4.056 50 0 EIAARN C[C@@H](NC(=O)N[C@@H](C)c1ccncc1)c1ccc(-c2cccnc2)cc1 ZINC000096446956 563953381 /nfs/dbraw/zinc/95/33/81/563953381.db2.gz LSNFPAUVZMAPMO-CVEARBPZSA-N 0 0 346.434 4.265 50 0 EIAARN C[S@@](=O)Cc1ccc(Cl)c(NCc2cccc3cccnc32)c1 ZINC000096453611 563953805 /nfs/dbraw/zinc/95/38/05/563953805.db2.gz PPODUNPHKFJEER-QHCPKHFHSA-N 0 0 344.867 4.379 50 0 EIAARN Cc1ocnc1CNC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000096491766 563955648 /nfs/dbraw/zinc/95/56/48/563955648.db2.gz OQXOLJHSENHFOV-OAHLLOKOSA-N 0 0 349.434 4.003 50 0 EIAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(-c2cnn(C)c2)nc2ccccc21 ZINC000063871190 563956349 /nfs/dbraw/zinc/95/63/49/563956349.db2.gz SGGNNQXFZPQLFK-GASCZTMLSA-N 0 0 348.450 4.038 50 0 EIAARN CCc1ncc(-c2cc(C(=O)N(C)C(C)C)c3cccc(C)c3n2)cn1 ZINC000063884052 563956527 /nfs/dbraw/zinc/95/65/27/563956527.db2.gz NVJUMECQQACPOF-UHFFFAOYSA-N 0 0 348.450 4.043 50 0 EIAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(Cl)cc1C ZINC000064472023 563956721 /nfs/dbraw/zinc/95/67/21/563956721.db2.gz SFCXPCDGSQHUFA-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN O=C1C[C@H](Cn2cnc(-c3ccccc3)c2C2CC2)CN1C1CCCC1 ZINC000065383941 563959165 /nfs/dbraw/zinc/95/91/65/563959165.db2.gz QSNVGDRHOGQRBR-MRXNPFEDSA-N 0 0 349.478 4.219 50 0 EIAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC)o2)cc1 ZINC000065386702 563959247 /nfs/dbraw/zinc/95/92/47/563959247.db2.gz ITARHCFHRMNKLG-UHFFFAOYSA-N 0 0 330.384 4.059 50 0 EIAARN CCC(CC)n1ncc(C)c1NC(=O)[C@@H](C)n1ccnc1C(C)C ZINC000065432322 563960783 /nfs/dbraw/zinc/96/07/83/563960783.db2.gz SPRNWAGJECDKAX-CQSZACIVSA-N 0 0 331.464 4.072 50 0 EIAARN Cc1noc(C)c1-c1nc(C(C)C)nn1-c1cccc2cccnc21 ZINC000065436039 563960961 /nfs/dbraw/zinc/96/09/61/563960961.db2.gz MLZUVTHHDKWHDP-UHFFFAOYSA-N 0 0 333.395 4.211 50 0 EIAARN CC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@H](c2cccc(F)c2C)C1 ZINC000065454894 563961026 /nfs/dbraw/zinc/96/10/26/563961026.db2.gz GVQYSEOQFVOCBN-AHRSYUTCSA-N 0 0 333.447 4.439 50 0 EIAARN CSc1cccc(NC(=O)Nc2ccc(-c3noc(C)n3)cc2)c1 ZINC000033077100 563963405 /nfs/dbraw/zinc/96/34/05/563963405.db2.gz AGTUNOISEMXPHB-UHFFFAOYSA-N 0 0 340.408 4.411 50 0 EIAARN CC(=O)Nc1nc2cc(NC(=O)Nc3ccc(C)cc3)ccc2s1 ZINC000033129440 563963632 /nfs/dbraw/zinc/96/36/32/563963632.db2.gz ZDWWQRIVNNDUBP-UHFFFAOYSA-N 0 0 340.408 4.207 50 0 EIAARN Cc1nc(CCn2ccnc2-c2ccnc3ccccc32)sc1C ZINC000071419370 563964370 /nfs/dbraw/zinc/96/43/70/563964370.db2.gz ZRLVLUYOMSVZIF-UHFFFAOYSA-N 0 0 334.448 4.414 50 0 EIAARN CC(C)c1cc(Cn2ccnc2-c2cc3c(cc2Cl)OCO3)on1 ZINC000071746447 563964954 /nfs/dbraw/zinc/96/49/54/563964954.db2.gz JFZMVFLIKHGZHW-UHFFFAOYSA-N 0 0 345.786 4.092 50 0 EIAARN COc1ccc(-c2nc(CN3CCC(F)CC3)c(C)o2)c(C)c1C ZINC000071748269 563965034 /nfs/dbraw/zinc/96/50/34/563965034.db2.gz GYWSRDJPOQZFJD-UHFFFAOYSA-N 0 0 332.419 4.209 50 0 EIAARN Oc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000071751697 563965184 /nfs/dbraw/zinc/96/51/84/563965184.db2.gz JELJQMFQTAUVQB-KRWDZBQOSA-N 0 0 338.234 4.273 50 0 EIAARN CCCn1cnnc1Cn1ccnc1-c1c(C)sc2ccccc21 ZINC000071762224 563965351 /nfs/dbraw/zinc/96/53/51/563965351.db2.gz QXOCELPTTVDJFZ-UHFFFAOYSA-N 0 0 337.452 4.123 50 0 EIAARN O=C(c1cc(C2CC2)no1)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071761953 563965402 /nfs/dbraw/zinc/96/54/02/563965402.db2.gz FEOYLARTNIBUOU-OAHLLOKOSA-N 0 0 342.414 4.176 50 0 EIAARN Cc1nc(C(C)C)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000071762773 563965422 /nfs/dbraw/zinc/96/54/22/563965422.db2.gz PUNQZVWYRDDFDR-QGZVFWFLSA-N 0 0 331.847 4.140 50 0 EIAARN CC(C)CNc1ccnc(NCc2csc(-c3ccccc3)n2)n1 ZINC000071773506 563965717 /nfs/dbraw/zinc/96/57/17/563965717.db2.gz DGRJOOOHPBSAHD-UHFFFAOYSA-N 0 0 339.468 4.280 50 0 in-vitro EIAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)no1 ZINC000033257358 563966193 /nfs/dbraw/zinc/96/61/93/563966193.db2.gz QZQMWRFUBOKUOX-UHFFFAOYSA-N 0 0 344.321 4.221 50 0 EIAARN O=C(NC1CCCCC1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257679 563966236 /nfs/dbraw/zinc/96/62/36/563966236.db2.gz XTCSJUCFHLFQIU-UHFFFAOYSA-N 0 0 325.412 4.067 50 0 EIAARN CN(C)C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072161045 563966332 /nfs/dbraw/zinc/96/63/32/563966332.db2.gz YLYMHXKJDCESPU-ZDUSSCGKSA-N 0 0 328.378 4.032 50 0 EIAARN Cc1cc(C(=O)N(C)Cc2ccc(Cl)nc2)c2ccc(F)cc2n1 ZINC000073718693 563966521 /nfs/dbraw/zinc/96/65/21/563966521.db2.gz PNCLVSLROOZFOK-UHFFFAOYSA-N 0 0 343.789 4.003 50 0 EIAARN FC(F)(F)c1csc(Oc2cncc(Br)c2)n1 ZINC000097020037 563966661 /nfs/dbraw/zinc/96/66/61/563966661.db2.gz LLVBFDNTBJEAFW-UHFFFAOYSA-N 0 0 325.109 4.112 50 0 EIAARN CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(COC)o1)c1cccs1 ZINC000097095022 563967441 /nfs/dbraw/zinc/96/74/41/563967441.db2.gz SLFAXDGDIICSOL-LSDHHAIUSA-N 0 0 348.468 4.485 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H]1CCCN1c1ncnc2c3ccccc3oc21 ZINC000097162099 563968426 /nfs/dbraw/zinc/96/84/26/563968426.db2.gz FARTZHDGMGADER-AWEZNQCLSA-N 0 0 333.395 4.057 50 0 EIAARN Cc1n[nH]c(C)c1[C@H]1CCCN1c1ncnc2c3ccccc3oc21 ZINC000097162100 563968428 /nfs/dbraw/zinc/96/84/28/563968428.db2.gz FARTZHDGMGADER-CQSZACIVSA-N 0 0 333.395 4.057 50 0 EIAARN CCS[C@@H]1CCCC[C@H]1NCc1nc(CCc2ccccc2)no1 ZINC000097165596 563968527 /nfs/dbraw/zinc/96/85/27/563968527.db2.gz WUMJHCRAWFMXRZ-IAGOWNOFSA-N 0 0 345.512 4.009 50 0 EIAARN CC(C)(C)c1cc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)[nH]n1 ZINC000077298295 563968808 /nfs/dbraw/zinc/96/88/08/563968808.db2.gz OVGPLHLBTVJTAE-INIZCTEOSA-N 0 0 341.434 4.060 50 0 EIAARN O=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1CCc1cccs1 ZINC000077379007 563969266 /nfs/dbraw/zinc/96/92/66/563969266.db2.gz RGUHHXXXTYINAU-OAHLLOKOSA-N 0 0 343.448 4.104 50 0 EIAARN O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077386421 563969312 /nfs/dbraw/zinc/96/93/12/563969312.db2.gz MWWMWQSBYFHTKH-IBGZPJMESA-N 0 0 331.419 4.097 50 0 EIAARN CCc1ocnc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000077407351 563969493 /nfs/dbraw/zinc/96/94/93/563969493.db2.gz JHEBZARQOKPOKE-UHFFFAOYSA-N 0 0 336.391 4.302 50 0 EIAARN Cc1ccc(-c2nccn2CCc2csc(-c3ccncc3)n2)o1 ZINC000077439643 563969651 /nfs/dbraw/zinc/96/96/51/563969651.db2.gz NCRKKVKGACHHLH-UHFFFAOYSA-N 0 0 336.420 4.213 50 0 EIAARN Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1 ZINC000077439344 563969681 /nfs/dbraw/zinc/96/96/81/563969681.db2.gz FRURQIMFXOULEZ-MRXNPFEDSA-N 0 0 342.439 4.038 50 0 EIAARN Cc1cc(C)c2nc(C)cc(C(=O)N(C)C3CCSCC3)c2c1 ZINC000077472449 563969928 /nfs/dbraw/zinc/96/99/28/563969928.db2.gz QNVQSGUVNJBWNP-UHFFFAOYSA-N 0 0 328.481 4.128 50 0 EIAARN CCCc1cc(C(=O)N2CCC(Sc3ccccc3C)CC2)no1 ZINC000077489476 563969992 /nfs/dbraw/zinc/96/99/92/563969992.db2.gz JYBDKRJRANUHFM-UHFFFAOYSA-N 0 0 344.480 4.332 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N(C)[C@@H](C)c3cncs3)c2c1 ZINC000077515890 563970110 /nfs/dbraw/zinc/97/01/10/563970110.db2.gz LWDITWNNRGBGIB-ZDUSSCGKSA-N 0 0 339.464 4.395 50 0 EIAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N1CCCC[C@H]1CCO ZINC000077516179 563970140 /nfs/dbraw/zinc/97/01/40/563970140.db2.gz KJYQTAQWPOGAQV-ZDUSSCGKSA-N 0 0 335.831 4.080 50 0 EIAARN COc1cccc([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)c1 ZINC000077539024 563970262 /nfs/dbraw/zinc/97/02/62/563970262.db2.gz RMVINEQRSXTSLA-SFHVURJKSA-N 0 0 331.362 4.341 50 0 EIAARN CN(Cc1coc(-c2ccccc2)n1)Cc1cc(-c2cccnc2)no1 ZINC000077565541 563970388 /nfs/dbraw/zinc/97/03/88/563970388.db2.gz QPOMPANRLVWCSK-UHFFFAOYSA-N 0 0 346.390 4.024 50 0 EIAARN c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000097236028 563970707 /nfs/dbraw/zinc/97/07/07/563970707.db2.gz VVBSSJGZIGDNHO-KXBFYZLASA-N 0 0 345.464 4.216 50 0 EIAARN C[S@](=O)Cc1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000097233991 563970778 /nfs/dbraw/zinc/97/07/78/563970778.db2.gz UNECVAPURIXFAC-GBXCKJPGSA-N 0 0 336.460 4.162 50 0 EIAARN Cc1nnc(CN[C@H](C)c2sc(-c3ccccc3)nc2C)s1 ZINC000097057261 563971854 /nfs/dbraw/zinc/97/18/54/563971854.db2.gz RDXPDTHMXCTUOQ-SNVBAGLBSA-N 0 0 330.482 4.129 50 0 EIAARN CC[C@@H](c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1 ZINC000082087867 563972038 /nfs/dbraw/zinc/97/20/38/563972038.db2.gz KHONZDHTUSDFQW-HNNXBMFYSA-N 0 0 348.809 4.084 50 0 EIAARN O=C(c1cccc(-n2cccn2)c1)N1CCCCC[C@H]1c1ccco1 ZINC000082121231 563972479 /nfs/dbraw/zinc/97/24/79/563972479.db2.gz MMERAQYGYAKLCG-SFHVURJKSA-N 0 0 335.407 4.223 50 0 EIAARN CCCc1noc([C@@H](C)n2ccnc2-c2c(F)cccc2Cl)n1 ZINC000082134855 563972594 /nfs/dbraw/zinc/97/25/94/563972594.db2.gz LWLYVLCAJGQXGE-SNVBAGLBSA-N 0 0 334.782 4.287 50 0 EIAARN Cc1nc([C@@H](C)N(C)C(=O)CCc2c[nH]c3ccccc23)c(C)s1 ZINC000082147645 563972706 /nfs/dbraw/zinc/97/27/06/563972706.db2.gz HIXHITBDQFKVNT-GFCCVEGCSA-N 0 0 341.480 4.393 50 0 EIAARN COc1cc(C)nc2ccc(NC(=O)Nc3ccc(F)cc3)cc21 ZINC000033278713 563972856 /nfs/dbraw/zinc/97/28/56/563972856.db2.gz CYMBZMMDCOIKOS-UHFFFAOYSA-N 0 0 325.343 4.335 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1ccccc1C(F)(F)F ZINC000060657696 563973035 /nfs/dbraw/zinc/97/30/35/563973035.db2.gz YWPGDVKYFNVWKZ-UHFFFAOYSA-N 0 0 345.118 4.115 50 0 EIAARN O=C(CCCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000004749249 563973095 /nfs/dbraw/zinc/97/30/95/563973095.db2.gz BSYXODMTXLDRKM-UHFFFAOYSA-N 0 0 342.870 4.012 50 0 EIAARN C[C@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CS1 ZINC000585140799 563973355 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563974232 /nfs/dbraw/zinc/97/42/32/563974232.db2.gz WOLGRZBOOIZQQN-UHFFFAOYSA-N 0 0 347.846 4.491 50 0 EIAARN CCCC(=O)Nc1nc(CC)c(-c2nc(-c3ccccc3)no2)s1 ZINC000033331255 563974458 /nfs/dbraw/zinc/97/44/58/563974458.db2.gz RCIZJISSRZNFRK-UHFFFAOYSA-N 0 0 342.424 4.161 50 0 EIAARN O=C(Nc1ccc(Br)c(F)c1)c1cc(F)cc(F)c1 ZINC000088085640 563974483 /nfs/dbraw/zinc/97/44/83/563974483.db2.gz DDMZCOHUXPXHRE-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN O=C1N[C@@](c2ccccc2)(C(F)(F)F)Sc2nc3ccccc3n21 ZINC000000083932 563974888 /nfs/dbraw/zinc/97/48/88/563974888.db2.gz DOVXOVCWHSYBPS-OAHLLOKOSA-N 0 0 349.337 4.115 50 0 EIAARN CCOC(=O)[C@H](CC)Sc1ncnc2sc3c(c21)CCCC3 ZINC000000084832 563974986 /nfs/dbraw/zinc/97/49/86/563974986.db2.gz HMFWSHCUHWSKIL-NSHDSACASA-N 0 0 336.482 4.004 50 0 EIAARN C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)n1cnc2ccccc21 ZINC000043841638 563975125 /nfs/dbraw/zinc/97/51/25/563975125.db2.gz DXKKXMSEKVUNCJ-XJKSGUPXSA-N 0 0 325.437 4.023 50 0 EIAARN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](c2ccccc2C)C1 ZINC000091304754 563975223 /nfs/dbraw/zinc/97/52/23/563975223.db2.gz VBAOKLAXJPBPAH-QGZVFWFLSA-N 0 0 339.483 4.355 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)[nH]n2)s1 ZINC000091305386 563975242 /nfs/dbraw/zinc/97/52/42/563975242.db2.gz CHHKURTWSSDJCF-MRXNPFEDSA-N 0 0 341.411 4.173 50 0 EIAARN CCN(C[C@@H]1CCCCO1)C(=O)c1[nH]c2c(cc(C)cc2C)c1C ZINC000091364719 563975369 /nfs/dbraw/zinc/97/53/69/563975369.db2.gz DJNGQUMLTXIYNG-INIZCTEOSA-N 0 0 328.456 4.124 50 0 EIAARN Cc1cc(C)n2c(nnc2SCc2ccc(C(C)(C)C)cc2)n1 ZINC000006172111 563976323 /nfs/dbraw/zinc/97/63/23/563976323.db2.gz FLSJFPPCOMZBST-UHFFFAOYSA-N 0 0 326.469 4.331 50 0 EIAARN Cc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1Cl ZINC000000092724 563976579 /nfs/dbraw/zinc/97/65/79/563976579.db2.gz ZCMCCAUSIVNJAR-HNNXBMFYSA-N 0 0 346.839 4.090 50 0 EIAARN CCOC(Cn1c(COc2ccccc2)nc2ccccc21)OCC ZINC000000092330 563976580 /nfs/dbraw/zinc/97/65/80/563976580.db2.gz JWERLBADCDHQNQ-UHFFFAOYSA-N 0 0 340.423 4.014 50 0 EIAARN CCn1cncc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1C ZINC000095508204 563977192 /nfs/dbraw/zinc/97/71/92/563977192.db2.gz AYXWSURTRQAODG-OAQYLSRUSA-N 0 0 347.462 4.050 50 0 EIAARN CO[C@H]1CCCN(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000095508099 563977203 /nfs/dbraw/zinc/97/72/03/563977203.db2.gz NBVZJKFUQWHBSM-SFHVURJKSA-N 0 0 328.387 4.135 50 0 EIAARN O=C(c1cc[nH]c1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095524138 563977414 /nfs/dbraw/zinc/97/74/14/563977414.db2.gz RFPCEIMKCPXMQO-UHFFFAOYSA-N 0 0 330.431 4.237 50 0 EIAARN CCCN(Cc1ccsc1)C(=O)[C@@H](c1ccccc1C)N(C)C ZINC000095530101 563977534 /nfs/dbraw/zinc/97/75/34/563977534.db2.gz HJKDNYIHTHKQBC-GOSISDBHSA-N 0 0 330.497 4.098 50 0 EIAARN Cc1csc([C@@H](C)N(C)C(=O)c2c(C)onc2-c2ccccc2)n1 ZINC000096131162 563979345 /nfs/dbraw/zinc/97/93/45/563979345.db2.gz MTOJUAKTAIEIHD-GFCCVEGCSA-N 0 0 341.436 4.248 50 0 EIAARN Cc1nc2cc(NC(=O)N3CCCC[C@@H]3c3cccnc3)ccc2[nH]1 ZINC000096137769 563979453 /nfs/dbraw/zinc/97/94/53/563979453.db2.gz ZTRXKXZWRYZNOJ-GOSISDBHSA-N 0 0 335.411 4.025 50 0 EIAARN c1c2c(ncn3nc(COc4ccccc4)nc23)oc1-c1ccccc1 ZINC000096194528 563980091 /nfs/dbraw/zinc/98/00/91/563980091.db2.gz FZIQIOLIVRKCED-UHFFFAOYSA-N 0 0 342.358 4.117 50 0 EIAARN CCONC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc21 ZINC000044010524 563980093 /nfs/dbraw/zinc/98/00/93/563980093.db2.gz NPCQJBPEDBSDQE-UHFFFAOYSA-N 0 0 349.415 4.193 50 0 EIAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCOCC2)n1)CC[C@H](C)C3 ZINC000096236669 563980469 /nfs/dbraw/zinc/98/04/69/563980469.db2.gz NLQPRXZSWKJGPH-QWHCGFSZSA-N 0 0 345.512 4.166 50 0 EIAARN Fc1ccc2c(c1)c1nnc(=S)[nH]c1n2Cc1ccc(Cl)cc1 ZINC000096319322 563980750 /nfs/dbraw/zinc/98/07/50/563980750.db2.gz JSCKFYLKGWPLBB-UHFFFAOYSA-N 0 0 344.802 4.109 50 0 EIAARN Cc1cc(OCC(=O)Nc2nc3ccccc3s2)ccc1Cl ZINC000000097679 563980782 /nfs/dbraw/zinc/98/07/82/563980782.db2.gz XKFYVCAZLJEVET-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN Cc1c(Cl)cccc1NC=C1N=C(c2ccccc2F)OC1=O ZINC000006279979 563981597 /nfs/dbraw/zinc/98/15/97/563981597.db2.gz BPKUTXMZXYIYKW-DHDCSXOGSA-N 0 0 330.746 4.044 50 0 EIAARN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@H]1c1ccncc1 ZINC000247797099 563981691 /nfs/dbraw/zinc/98/16/91/563981691.db2.gz CZNMJPQFBVTUFJ-KSZLIROESA-N 0 0 326.827 4.202 50 0 EIAARN CCc1ccccc1NC(=S)Nc1sc(C)cc1C(=O)OC ZINC000006286463 563981706 /nfs/dbraw/zinc/98/17/06/563981706.db2.gz OORXFVDTHDFLGD-UHFFFAOYSA-N 0 0 334.466 4.214 50 0 EIAARN CCn1cnnc1-c1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1 ZINC000119595370 563983108 /nfs/dbraw/zinc/98/31/08/563983108.db2.gz RWZMSXZLEPYOMV-UHFFFAOYSA-N 0 0 344.777 4.010 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)CN3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000014075319 563983139 /nfs/dbraw/zinc/98/31/39/563983139.db2.gz BYNFQBLCVCLNCF-GASCZTMLSA-N 0 0 343.496 4.035 50 0 EIAARN Cc1cc2nnc(S[C@H](C)OC(=O)OC(C)C)n2c2ccccc12 ZINC000119815322 563983734 /nfs/dbraw/zinc/98/37/34/563983734.db2.gz XSVXGMZARODOND-GFCCVEGCSA-N 0 0 345.424 4.191 50 0 EIAARN COc1cc(F)ccc1NC(=O)c1cncc(-c2ccc(C)cc2)c1 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O=S(=O)(c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000000143954 563987175 /nfs/dbraw/zinc/98/71/75/563987175.db2.gz YOJIWIMJJYIWJI-LJQANCHMSA-N 0 0 340.375 4.495 50 0 EIAARN Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c1 ZINC000000150376 563987400 /nfs/dbraw/zinc/98/74/00/563987400.db2.gz ODMVAPIBXHTMHW-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN O=C1OC(c2ccco2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000000176807 563987701 /nfs/dbraw/zinc/98/77/01/563987701.db2.gz ZNQQLRZJIXPBCF-AQTBWJFISA-N 0 0 345.354 4.203 50 0 EIAARN CC(C)(C)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1 ZINC000000209954 563988467 /nfs/dbraw/zinc/98/84/67/563988467.db2.gz DPLSPECGBKTIFT-UHFFFAOYSA-N 0 0 338.520 4.482 50 0 EIAARN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1 ZINC000000211351 563988609 /nfs/dbraw/zinc/98/86/09/563988609.db2.gz DJPGKGJRDKNESZ-UHFFFAOYSA-N 0 0 345.354 4.294 50 0 EIAARN Cc1ccc(C)c(CSc2nc3c4ccccc4[nH]c3c(=O)n2C)c1 ZINC000000213999 563988615 /nfs/dbraw/zinc/98/86/15/563988615.db2.gz TXLCGEVFVRFTCC-UHFFFAOYSA-N 0 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EIAARN CC(C)c1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000005482049 564005976 /nfs/dbraw/zinc/00/59/76/564005976.db2.gz FKZCMTLECRMOBN-OAHLLOKOSA-N 0 0 344.842 4.253 50 0 EIAARN CSc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000005602499 564006296 /nfs/dbraw/zinc/00/62/96/564006296.db2.gz HWRKUWDLTVTAEQ-UHFFFAOYSA-N 0 0 331.821 4.002 50 0 EIAARN Cc1cc2oc(=O)cc(COC(=O)Cc3ccsc3)c2cc1Cl ZINC000005657755 564007070 /nfs/dbraw/zinc/00/70/70/564007070.db2.gz CTNKOCSSLOCYAI-UHFFFAOYSA-N 0 0 348.807 4.102 50 0 EIAARN CC[C@H]1C[C@@H](CC(=O)NCc2nc(-c3ccccc3)cs2)CCO1 ZINC000272722123 564007456 /nfs/dbraw/zinc/00/74/56/564007456.db2.gz AGLAZOCELLDHRM-HOCLYGCPSA-N 0 0 344.480 4.022 50 0 EIAARN CC[C@@H]1C[C@H](CC(=O)NCc2nc(-c3ccccc3)cs2)CCO1 ZINC000272722121 564007482 /nfs/dbraw/zinc/00/74/82/564007482.db2.gz AGLAZOCELLDHRM-GDBMZVCRSA-N 0 0 344.480 4.022 50 0 EIAARN CN(C(=O)CCc1cccs1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273295142 564007717 /nfs/dbraw/zinc/00/77/17/564007717.db2.gz LTEKCGOCSZNKCN-FUHWJXTLSA-N 0 0 347.455 4.199 50 0 EIAARN CCS(=O)(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000000475312 564010633 /nfs/dbraw/zinc/01/06/33/564010633.db2.gz BHDVRHUHLIHXIK-UHFFFAOYSA-N 0 0 332.450 4.033 50 0 EIAARN C[C@H](NC(=O)Nc1ccc(Br)cc1F)c1ccco1 ZINC000048332911 564031087 /nfs/dbraw/zinc/03/10/87/564031087.db2.gz GNPPFLORPXMECK-QMMMGPOBSA-N 0 0 327.153 4.064 50 0 EIAARN COc1cccc(NC(=O)CCSc2ccc3ccccc3n2)c1 ZINC000017355366 564011741 /nfs/dbraw/zinc/01/17/41/564011741.db2.gz YBRVASRWDNJOIV-UHFFFAOYSA-N 0 0 338.432 4.364 50 0 EIAARN CN(Cc1ccsc1)C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000017370994 564011759 /nfs/dbraw/zinc/01/17/59/564011759.db2.gz LLSROODPLKFNHA-UHFFFAOYSA-N 0 0 325.433 4.184 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000000288462 564012339 /nfs/dbraw/zinc/01/23/39/564012339.db2.gz OXMBFZIJQJQHHY-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2cccc(F)c2)S1 ZINC000003138639 564012349 /nfs/dbraw/zinc/01/23/49/564012349.db2.gz RJTGRLBYLMTIJZ-LBPRGKRZSA-N 0 0 329.400 4.356 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000000455166 564012670 /nfs/dbraw/zinc/01/26/70/564012670.db2.gz ZDUVVAWZLCQKSN-CYBMUJFWSA-N 0 0 332.241 4.200 50 0 EIAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OC)c2)c1 ZINC000000468664 564012695 /nfs/dbraw/zinc/01/26/95/564012695.db2.gz RBSUSTLCBLWSHY-UHFFFAOYSA-N 0 0 346.814 4.340 50 0 EIAARN COC(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000000562715 564012751 /nfs/dbraw/zinc/01/27/51/564012751.db2.gz MNTYACBRAFWNHA-UHFFFAOYSA-N 0 0 349.839 4.248 50 0 EIAARN COc1cccc(CO[C@H](C)C(=O)Nc2c(C)cccc2Cl)c1 ZINC000174419273 564012768 /nfs/dbraw/zinc/01/27/68/564012768.db2.gz XBLCICASDNVOCM-CYBMUJFWSA-N 0 0 333.815 4.201 50 0 EIAARN O=C1c2ccccc2C(=O)N1CC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000000615542 564012911 /nfs/dbraw/zinc/01/29/11/564012911.db2.gz ZCUIAOVCAOGBLQ-MRXNPFEDSA-N 0 0 349.361 4.237 50 0 EIAARN S=c1sc(SCCCn2ccnc2)nn1-c1ccccc1 ZINC000180429827 564013368 /nfs/dbraw/zinc/01/33/68/564013368.db2.gz WJKQAWRQOOXAGF-UHFFFAOYSA-N 0 0 334.495 4.042 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000002969274 564013452 /nfs/dbraw/zinc/01/34/52/564013452.db2.gz GTTVVUIEHNGUHV-UHFFFAOYSA-N 0 0 341.407 4.293 50 0 EIAARN CCOc1ccc(OCCOc2ccc(Br)cc2)cc1 ZINC000002983830 564013487 /nfs/dbraw/zinc/01/34/87/564013487.db2.gz DRWHTSVRWPOXEI-UHFFFAOYSA-N 0 0 337.213 4.306 50 0 EIAARN COc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000005661775 564013553 /nfs/dbraw/zinc/01/35/53/564013553.db2.gz ATAZYYILBPPDPV-UHFFFAOYSA-N 0 0 343.732 4.297 50 0 EIAARN O=C(Cc1noc(/C=C/c2ccccc2)n1)Nc1ccccc1Cl ZINC000016577553 564014325 /nfs/dbraw/zinc/01/43/25/564014325.db2.gz RUTLRPLIEHBRSU-ZHACJKMWSA-N 0 0 339.782 4.075 50 0 EIAARN CC[C@H](C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 ZINC000585148046 564014766 /nfs/dbraw/zinc/01/47/66/564014766.db2.gz MWXGBDJHJGLFEB-PMACEKPBSA-N 0 0 349.430 4.290 50 0 EIAARN CCCc1nc2ccccc2c(=O)n1-c1ccccc1Br ZINC000003154107 564015271 /nfs/dbraw/zinc/01/52/71/564015271.db2.gz YLTYQXLAEKSEFG-UHFFFAOYSA-N 0 0 343.224 4.101 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000018183908 564018622 /nfs/dbraw/zinc/01/86/22/564018622.db2.gz LNXVJKICFGAXJC-UHFFFAOYSA-N 0 0 332.359 4.038 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(C(F)(F)F)c1 ZINC000005694625 564019157 /nfs/dbraw/zinc/01/91/57/564019157.db2.gz UNGRYBSPXVWPDI-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN CC[C@@H](C)NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000102033009 564019846 /nfs/dbraw/zinc/01/98/46/564019846.db2.gz GMJBHCOTABRVRL-GFCCVEGCSA-N 0 0 343.427 4.068 50 0 EIAARN Cc1ccc(C)c(NC(=O)COC(=O)Cc2cccc3ccccc32)c1 ZINC000005714821 564021173 /nfs/dbraw/zinc/02/11/73/564021173.db2.gz NDQYMUZMRYQDJY-UHFFFAOYSA-N 0 0 347.414 4.181 50 0 EIAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2)cc1 ZINC000000528208 564021355 /nfs/dbraw/zinc/02/13/55/564021355.db2.gz VYXMYKLGALMOPK-RBUKOAKNSA-N 0 0 334.423 4.132 50 0 EIAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3)c2C)c1-c1ccccc1 ZINC000000530654 564021508 /nfs/dbraw/zinc/02/15/08/564021508.db2.gz PDHSYNHJTRLCHU-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Cc1ccc([C@@H](CC(=O)NCc2ccco2)c2ccccc2)c(O)c1C ZINC000000543817 564022543 /nfs/dbraw/zinc/02/25/43/564022543.db2.gz HWSQMBAJYOOAHT-FQEVSTJZSA-N 0 0 349.430 4.440 50 0 EIAARN Cc1cc(COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)on1 ZINC000024510335 564022661 /nfs/dbraw/zinc/02/26/61/564022661.db2.gz INIFABXFOGNYLK-MHWRWJLKSA-N 0 0 343.379 4.468 50 0 EIAARN Cc1ccc([C@H]2N(c3ccc(Cl)cc3)C(=O)N3CCCN23)cc1 ZINC000000546620 564022728 /nfs/dbraw/zinc/02/27/28/564022728.db2.gz AXKJDISEYVHZNG-QGZVFWFLSA-N 0 0 327.815 4.210 50 0 EIAARN CCOC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(C)c2ccccc12 ZINC000000549774 564022905 /nfs/dbraw/zinc/02/29/05/564022905.db2.gz USHWSLSTYOFRCV-HXUWFJFHSA-N 0 0 347.418 4.486 50 0 EIAARN CC(=O)Nc1ccc2nc(NC(=O)c3cccc4ccccc43)oc2c1 ZINC000000557342 564023171 /nfs/dbraw/zinc/02/31/71/564023171.db2.gz VQESEZRJEMIWFP-UHFFFAOYSA-N 0 0 345.358 4.192 50 0 EIAARN CCC(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12 ZINC000000560784 564023283 /nfs/dbraw/zinc/02/32/83/564023283.db2.gz UHPRXEIILXQAAR-HUUCEWRRSA-N 0 0 326.440 4.024 50 0 EIAARN COc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1OC ZINC000000245186 564023347 /nfs/dbraw/zinc/02/33/47/564023347.db2.gz PIHFLCZIKJMZFE-UHFFFAOYSA-N 0 0 339.391 4.245 50 0 biogenic EIAARN O=C(OCc1nc2ccccc2s1)c1cccc(OC(F)F)c1 ZINC000006485807 564025196 /nfs/dbraw/zinc/02/51/96/564025196.db2.gz YJIUCTGHDXYKHS-UHFFFAOYSA-N 0 0 335.331 4.255 50 0 EIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(C)cn1 ZINC000006508335 564025282 /nfs/dbraw/zinc/02/52/82/564025282.db2.gz QOKIPUVRHGSQJP-UHFFFAOYSA-N 0 0 345.196 4.459 50 0 EIAARN COc1ccc2c(CC(=O)N3CCC[C@@H]3c3ccsc3)coc2c1 ZINC000046911998 564025484 /nfs/dbraw/zinc/02/54/84/564025484.db2.gz BLPWEBVYIQSQTG-QGZVFWFLSA-N 0 0 341.432 4.409 50 0 EIAARN Cc1ccc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn32)cc1C ZINC000046913921 564025510 /nfs/dbraw/zinc/02/55/10/564025510.db2.gz LQXZKQPLBIUORG-UHFFFAOYSA-N 0 0 333.395 4.362 50 0 EIAARN CN(Cc1csc(-c2cnn(C)c2)n1)[C@H]1CCCc2ccccc21 ZINC000047265142 564025995 /nfs/dbraw/zinc/02/59/95/564025995.db2.gz AMSDPQPFINEGMB-SFHVURJKSA-N 0 0 338.480 4.053 50 0 EIAARN CC(C)NC(=O)Nc1ccccc1NC(=O)CCCc1cccs1 ZINC000047375585 564026192 /nfs/dbraw/zinc/02/61/92/564026192.db2.gz KVAOAUQSRZSSCZ-UHFFFAOYSA-N 0 0 345.468 4.239 50 0 EIAARN Cc1ccc(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cn1 ZINC000047416331 564026280 /nfs/dbraw/zinc/02/62/80/564026280.db2.gz HBEUYYXLMLMVJC-NRFANRHFSA-N 0 0 348.471 4.168 50 0 EIAARN Cc1[nH]nc2c1[C@@H](c1cccc(C(F)(F)F)c1)SCC(=O)N2 ZINC000044903449 564027619 /nfs/dbraw/zinc/02/76/19/564027619.db2.gz BVYZILSBCUAWGF-GFCCVEGCSA-N 0 0 327.331 4.161 50 0 EIAARN CC(C)OC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(F)c1 ZINC000045901527 564028809 /nfs/dbraw/zinc/02/88/09/564028809.db2.gz GHSZEOVJKYROCB-UHFFFAOYSA-N 0 0 343.333 4.217 50 0 EIAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc(-c2ccccc2)c[nH]1 ZINC000045927490 564028938 /nfs/dbraw/zinc/02/89/38/564028938.db2.gz SOXFKDMZIAYACE-GOEBONIOSA-N 0 0 343.496 4.348 50 0 EIAARN Cc1nc(CSc2ccccc2C(=O)Nc2ccccc2F)no1 ZINC000045948158 564028960 /nfs/dbraw/zinc/02/89/60/564028960.db2.gz VPIKRHOTNKKIDR-UHFFFAOYSA-N 0 0 343.383 4.062 50 0 EIAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1Cl ZINC000045967231 564029061 /nfs/dbraw/zinc/02/90/61/564029061.db2.gz DMVHCBNAKLDCQG-UHFFFAOYSA-N 0 0 341.798 4.161 50 0 EIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000046018312 564029246 /nfs/dbraw/zinc/02/92/46/564029246.db2.gz NSNZBXMCRGWDHQ-MRXNPFEDSA-N 0 0 335.856 4.174 50 0 EIAARN Cc1[nH]nc2c1[C@@H](c1ccc(OCc3cccc(C)c3)cc1)CC(=O)N2 ZINC000046016674 564029293 /nfs/dbraw/zinc/02/92/93/564029293.db2.gz HMWOXHUTWTWJGK-GOSISDBHSA-N 0 0 347.418 4.080 50 0 EIAARN CC1(C)Oc2cc(NC(=O)Nc3ccccc3Cl)ccc2NC1=O ZINC000046089257 564029576 /nfs/dbraw/zinc/02/95/76/564029576.db2.gz JWUDPWQVHPDPRZ-UHFFFAOYSA-N 0 0 345.786 4.094 50 0 EIAARN C[C@H](NC(=O)Nc1cccc(OC(F)F)c1)c1ccc(F)c(F)c1 ZINC000047906679 564029776 /nfs/dbraw/zinc/02/97/76/564029776.db2.gz TXIYQVWRVMIJLN-VIFPVBQESA-N 0 0 342.292 4.449 50 0 EIAARN CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000047946201 564029856 /nfs/dbraw/zinc/02/98/56/564029856.db2.gz MNVVODVVUNQSMD-CQSZACIVSA-N 0 0 341.411 4.180 50 0 EIAARN Cc1cc(Br)ccc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000048227973 564030251 /nfs/dbraw/zinc/03/02/51/564030251.db2.gz SVMDZJQJGNVTIQ-HNNXBMFYSA-N 0 0 346.224 4.011 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000048225855 564030272 /nfs/dbraw/zinc/03/02/72/564030272.db2.gz DUGPLGJESHGALS-UHFFFAOYSA-N 0 0 346.839 4.033 50 0 EIAARN c1ccc2c(c1)CCC[C@H]2Sc1nnc(NC[C@@H]2CCCO2)s1 ZINC000048273413 564030369 /nfs/dbraw/zinc/03/03/69/564030369.db2.gz MIBSRCZVMLXRHG-DZGCQCFKSA-N 0 0 347.509 4.299 50 0 EIAARN CN(c1ccccc1)c1ccccc1NC(=O)NCC[C@H]1CCCO1 ZINC000048251169 564030443 /nfs/dbraw/zinc/03/04/43/564030443.db2.gz FLVRNRJMJFYOIN-QGZVFWFLSA-N 0 0 339.439 4.145 50 0 EIAARN CCOc1ccc(N[C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OCC ZINC000048252617 564030445 /nfs/dbraw/zinc/03/04/45/564030445.db2.gz IEPCTAASJNVZPT-OWCLPIDISA-N 0 0 348.487 4.074 50 0 EIAARN C/C=C/C=C/C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000048253537 564030476 /nfs/dbraw/zinc/03/04/76/564030476.db2.gz XJIYZGOWINQQKP-CRBCFSCISA-N 0 0 336.222 4.309 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1 ZINC000048287881 564030530 /nfs/dbraw/zinc/03/05/30/564030530.db2.gz AJNWVANEWDYGDZ-ABAIWWIYSA-N 0 0 326.371 4.296 50 0 EIAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCCC1 ZINC000048302594 564030852 /nfs/dbraw/zinc/03/08/52/564030852.db2.gz RRBGSZORDGZGGH-UHFFFAOYSA-N 0 0 347.402 4.191 50 0 EIAARN CC[C@@H](CNC(=O)Nc1cc(OC)ccc1OC)c1ccccc1 ZINC000048331911 564031172 /nfs/dbraw/zinc/03/11/72/564031172.db2.gz CAKOZQNDDIULEQ-AWEZNQCLSA-N 0 0 328.412 4.019 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(c3ccc(O)cc3)CC2)C1(C)C ZINC000048355651 564031443 /nfs/dbraw/zinc/03/14/43/564031443.db2.gz AMHTYSMKMZIUOP-MOPGFXCFSA-N 0 0 327.468 4.337 50 0 EIAARN O=C(NCc1ccc(Br)cc1)c1cc(Cl)ccc1F ZINC000048482488 564031883 /nfs/dbraw/zinc/03/18/83/564031883.db2.gz VQPDSFPXGIURGZ-UHFFFAOYSA-N 0 0 342.595 4.172 50 0 EIAARN Cc1cnc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)cn1 ZINC000062922374 564031922 /nfs/dbraw/zinc/03/19/22/564031922.db2.gz OEMDDGLGYHAGIJ-KDOFPFPSSA-N 0 0 339.439 4.133 50 0 EIAARN Cc1cccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc32)c1 ZINC000049004573 564032473 /nfs/dbraw/zinc/03/24/73/564032473.db2.gz RMLVTIKZHXZEHR-UHFFFAOYSA-N 0 0 346.434 4.226 50 0 EIAARN COc1cc(F)c(NCc2cc(-c3ccccc3)no2)cc1OC ZINC000114452532 564032997 /nfs/dbraw/zinc/03/29/97/564032997.db2.gz DYJGIBPERKTZCG-UHFFFAOYSA-N 0 0 328.343 4.110 50 0 EIAARN O=C(CCc1ccsc1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000141436174 564033031 /nfs/dbraw/zinc/03/30/31/564033031.db2.gz GBEWPNVSRPBGEL-INIZCTEOSA-N 0 0 341.436 4.047 50 0 EIAARN CCOc1ccc(N2C(=O)S/C(=C\c3cccc(F)c3)C2=O)cc1 ZINC000005180347 564033135 /nfs/dbraw/zinc/03/31/35/564033135.db2.gz FCBDAIMDOGBLJN-WJDWOHSUSA-N 0 0 343.379 4.465 50 0 EIAARN COC(=O)c1cc2c(cc(-c3ccccc3)cc2C(F)(F)F)n1O ZINC000146883754 564033233 /nfs/dbraw/zinc/03/32/33/564033233.db2.gz YPPFWRWCZNXINO-UHFFFAOYSA-N 0 0 335.281 4.351 50 0 in-vitro EIAARN Fc1ccc(Oc2ncnc3ccsc32)c(Br)c1 ZINC000024717119 564033401 /nfs/dbraw/zinc/03/34/01/564033401.db2.gz DCOIIUHDYIDHER-UHFFFAOYSA-N 0 0 325.162 4.385 50 0 EIAARN COc1cccc(-c2ncc(CN(C)Cc3c(C)noc3C)s2)c1 ZINC000214952041 564033472 /nfs/dbraw/zinc/03/34/72/564033472.db2.gz LLSVRTYCARIPPZ-UHFFFAOYSA-N 0 0 343.452 4.056 50 0 EIAARN COCCCN1C(=S)N=NC1[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000006853057 564033649 /nfs/dbraw/zinc/03/36/49/564033649.db2.gz WSZNHZDYBHXCHH-CYBMUJFWSA-N 0 0 349.500 4.041 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)cnn1-c1ccc(C)cc1 ZINC000024772816 564033656 /nfs/dbraw/zinc/03/36/56/564033656.db2.gz IBOIECPBOMRUNG-AWEZNQCLSA-N 0 0 337.398 4.119 50 0 EIAARN COc1ccc([C@H](NC(=O)c2ccc(-n3cccn3)cc2)C(C)C)cc1 ZINC000024770050 564033668 /nfs/dbraw/zinc/03/36/68/564033668.db2.gz ZEULAEKPXJTGQA-HXUWFJFHSA-N 0 0 349.434 4.008 50 0 EIAARN CCc1ccc(NC(=O)c2cnc(SC)nc2C(F)(F)F)cc1 ZINC000006938297 564033867 /nfs/dbraw/zinc/03/38/67/564033867.db2.gz HGRJCKJLGNXSAG-UHFFFAOYSA-N 0 0 341.358 4.032 50 0 EIAARN Cc1ccc2c(c1)CCCN2C(=O)c1cccc(Nc2ncccn2)c1 ZINC000024860928 564034135 /nfs/dbraw/zinc/03/41/35/564034135.db2.gz FRWRRQRJSGQZDK-UHFFFAOYSA-N 0 0 344.418 4.122 50 0 EIAARN CC(C)n1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000007343652 564034308 /nfs/dbraw/zinc/03/43/08/564034308.db2.gz KXNNVMILSJTQHY-UHFFFAOYSA-N 0 0 339.414 4.119 50 0 EIAARN Cc1ccc(C(=O)[C@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000000807586 564034613 /nfs/dbraw/zinc/03/46/13/564034613.db2.gz OBQMVDSAIVVMRW-HNNXBMFYSA-N 0 0 335.403 4.224 50 0 EIAARN CN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccsc1 ZINC000007926869 564034651 /nfs/dbraw/zinc/03/46/51/564034651.db2.gz WOBSIAGGGSZERR-UHFFFAOYSA-N 0 0 329.252 4.125 50 0 EIAARN Cc1nnc(SCc2nc3ccccc3o2)n1-c1ccccc1C ZINC000008366523 564035437 /nfs/dbraw/zinc/03/54/37/564035437.db2.gz UZIUGDSOTIXRGV-UHFFFAOYSA-N 0 0 336.420 4.318 50 0 EIAARN Cc1cc(COc2ccccc2)oc1C(=O)N(C)C1CCSCC1 ZINC000220619016 564035952 /nfs/dbraw/zinc/03/59/52/564035952.db2.gz UWIUDTIICRMDOT-UHFFFAOYSA-N 0 0 345.464 4.135 50 0 EIAARN Cn1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c2ccccc21 ZINC000220963467 564035997 /nfs/dbraw/zinc/03/59/97/564035997.db2.gz ILJOAIZJDMAXCD-UHFFFAOYSA-N 0 0 335.432 4.022 50 0 EIAARN O=C(NCCCNc1cccnc1)c1cccc(-c2ccccc2F)c1 ZINC000220725021 564036002 /nfs/dbraw/zinc/03/60/02/564036002.db2.gz ICDJCQIRCRUSJG-UHFFFAOYSA-N 0 0 349.409 4.120 50 0 EIAARN O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@@H]1c1nccs1 ZINC000221228436 564036084 /nfs/dbraw/zinc/03/60/84/564036084.db2.gz JRXCDCCWKFCJGO-QGZVFWFLSA-N 0 0 341.480 4.111 50 0 EIAARN CCc1nc(-c2ccc(NC(=O)N3CCCc4ccccc43)cc2)no1 ZINC000033257342 564036619 /nfs/dbraw/zinc/03/66/19/564036619.db2.gz GAVKFRWAZGONIH-UHFFFAOYSA-N 0 0 348.406 4.284 50 0 EIAARN O=C(c1ccsc1)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000033311833 564036667 /nfs/dbraw/zinc/03/66/67/564036667.db2.gz QKOGNUWOQCVQQT-UHFFFAOYSA-N 0 0 333.428 4.209 50 0 EIAARN CCCCCNC(=O)CSc1nccnc1Sc1ccccc1 ZINC000033288867 564036669 /nfs/dbraw/zinc/03/66/69/564036669.db2.gz UBVIMAUONGLDIS-UHFFFAOYSA-N 0 0 347.509 4.026 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C\c1cccs1 ZINC000033306299 564036683 /nfs/dbraw/zinc/03/66/83/564036683.db2.gz SBOUOFAIJSZIEJ-FPLPWBNLSA-N 0 0 335.450 4.255 50 0 EIAARN CN(Cc1cnc2ccccc2c1)C(=O)c1cccc(Cl)c1F ZINC000223772045 564040814 /nfs/dbraw/zinc/04/08/14/564040814.db2.gz TVZDXWHVYRYZPN-UHFFFAOYSA-N 0 0 328.774 4.300 50 0 EIAARN Fc1ccccc1-c1n[nH]cc1CNc1ccc(-c2ccccc2)nn1 ZINC000225641410 564048855 /nfs/dbraw/zinc/04/88/55/564048855.db2.gz OOYZYEKTDYFJAM-UHFFFAOYSA-N 0 0 345.381 4.285 50 0 EIAARN CC1(C)CCc2ccccc2[C@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC000225656235 564049053 /nfs/dbraw/zinc/04/90/53/564049053.db2.gz PWLAYXQFSRBIFJ-LJQANCHMSA-N 0 0 347.462 4.325 50 0 EIAARN CC1(C)CCc2ccccc2[C@@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC000225656256 564049057 /nfs/dbraw/zinc/04/90/57/564049057.db2.gz PWLAYXQFSRBIFJ-IBGZPJMESA-N 0 0 347.462 4.325 50 0 EIAARN C[C@@H](C(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccccc1 ZINC000241588530 564052045 /nfs/dbraw/zinc/05/20/45/564052045.db2.gz PDVSWLCYECUHQV-MRXNPFEDSA-N 0 0 343.430 4.344 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1F ZINC000018699945 564052551 /nfs/dbraw/zinc/05/25/51/564052551.db2.gz DOEMHWCKHPFAFT-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN COc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1OC ZINC000025097719 564053275 /nfs/dbraw/zinc/05/32/75/564053275.db2.gz ZNUXREVQTGYMEI-UHFFFAOYSA-N 0 0 339.435 4.160 50 0 EIAARN O=C1S/C(=C/c2ccccc2O)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001011178 564054094 /nfs/dbraw/zinc/05/40/94/564054094.db2.gz GTIAPWOLZZBYHE-OQLLNIDSSA-N 0 0 345.807 4.282 50 0 EIAARN COc1ccc(NC(=O)c2cccnc2Nc2ccc(OC)cc2)cc1 ZINC000001075585 564054293 /nfs/dbraw/zinc/05/42/93/564054293.db2.gz VTNDNVVFRDNPHG-UHFFFAOYSA-N 0 0 349.390 4.095 50 0 EIAARN Cc1cc(OCCN2c3ccccc3NC[C@H](C)C2=O)ccc1Cl ZINC000082087119 564056182 /nfs/dbraw/zinc/05/61/82/564056182.db2.gz ZGTOTZJDLXJISN-AWEZNQCLSA-N 0 0 344.842 4.122 50 0 EIAARN CCOc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O ZINC000001184340 564056287 /nfs/dbraw/zinc/05/62/87/564056287.db2.gz RBLQQLMRGZMJLT-FOWTUZBSSA-N 0 0 325.389 4.326 50 0 EIAARN CCOC(=O)c1cc(C(F)(F)F)cn2c1cnc2-c1ccccc1 ZINC000263639649 564056496 /nfs/dbraw/zinc/05/64/96/564056496.db2.gz BXPOYHRNZFRHQE-UHFFFAOYSA-N 0 0 334.297 4.197 50 0 EIAARN COc1ccc(CN2C(=S)N=NC2c2cc3ccccc3o2)cc1 ZINC000005910834 564056982 /nfs/dbraw/zinc/05/69/82/564056982.db2.gz MMNPWZDEXJFMQY-UHFFFAOYSA-N 0 0 337.404 4.037 50 0 EIAARN CCCc1sc(C(=O)Nc2cccc(C)n2)cc1Br ZINC000005946885 564057256 /nfs/dbraw/zinc/05/72/56/564057256.db2.gz FGHBUHMTGWOWTL-UHFFFAOYSA-N 0 0 339.258 4.419 50 0 EIAARN COc1ccc([C@@H]2OC[C@]3(COC(C)=O)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 ZINC000005954616 564057278 /nfs/dbraw/zinc/05/72/78/564057278.db2.gz WSCCZHJZVDZUSC-XHXJHSHESA-N 0 0 344.451 4.164 50 0 biogenic EIAARN Cc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cs1 ZINC000007995552 564057590 /nfs/dbraw/zinc/05/75/90/564057590.db2.gz IEVUUAWJGDENNZ-UHFFFAOYSA-N 0 0 334.750 4.305 50 0 EIAARN Cc1cc(=O)oc2cc(OCc3cc(F)cc4cccnc43)ccc12 ZINC000031606789 564057814 /nfs/dbraw/zinc/05/78/14/564057814.db2.gz AOQHVYLMXQVHOU-UHFFFAOYSA-N 0 0 335.334 4.368 50 0 EIAARN COC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000001935758 564058094 /nfs/dbraw/zinc/05/80/94/564058094.db2.gz CYKGLGGVZYDGMG-NSHDSACASA-N 0 0 344.461 4.320 50 0 EIAARN O=C(CSc1ncnc2ccccc21)Nc1ccc(Cl)cc1 ZINC000003244821 564058643 /nfs/dbraw/zinc/05/86/43/564058643.db2.gz IWGKVBFKYHLIRF-UHFFFAOYSA-N 0 0 329.812 4.014 50 0 EIAARN CC(C)c1csc(NC(=O)c2cccc(Nc3ncccn3)c2)n1 ZINC000012540764 564058695 /nfs/dbraw/zinc/05/86/95/564058695.db2.gz MOIAQARIRWMHSH-UHFFFAOYSA-N 0 0 339.424 4.052 50 0 EIAARN Cc1cc(C)c(NC(=O)CSc2ncnc3ccccc32)c(C)c1 ZINC000003252786 564058728 /nfs/dbraw/zinc/05/87/28/564058728.db2.gz BITFOHYHWMWETA-UHFFFAOYSA-N 0 0 337.448 4.286 50 0 EIAARN O=C(CCC(=O)c1cccs1)NCc1ccc(Cl)cc1Cl ZINC000003275137 564058911 /nfs/dbraw/zinc/05/89/11/564058911.db2.gz ZJPYBPFHGPLRAC-UHFFFAOYSA-N 0 0 342.247 4.334 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cccnc1 ZINC000003288587 564059056 /nfs/dbraw/zinc/05/90/56/564059056.db2.gz DBKIMUWMAPNIIP-UHFFFAOYSA-N 0 0 335.432 4.336 50 0 EIAARN c1cc2c(s1)CCN(Cc1nc(C3CC3)no1)[C@H]2c1ccccc1 ZINC000012552828 564059230 /nfs/dbraw/zinc/05/92/30/564059230.db2.gz UBZLSQGKXUPKTC-SFHVURJKSA-N 0 0 337.448 4.156 50 0 EIAARN Cn1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c2ccccc21 ZINC000012561868 564059601 /nfs/dbraw/zinc/05/96/01/564059601.db2.gz XGTUNWWEKNOHMX-INIZCTEOSA-N 0 0 340.423 4.284 50 0 EIAARN COC(=O)c1cc(Nc2cc(C)ccc2OC)c2cccc(C)c2n1 ZINC000044165810 564059620 /nfs/dbraw/zinc/05/96/20/564059620.db2.gz KZAUQDULFCVMIS-UHFFFAOYSA-N 0 0 336.391 4.390 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000012567178 564059748 /nfs/dbraw/zinc/05/97/48/564059748.db2.gz UAEYBPUNSDSWRW-HZMBPMFUSA-N 0 0 335.245 4.239 50 0 EIAARN CO[C@@H](C)c1nc(CNC2(c3nc(C)cs3)CCCC2)cs1 ZINC000083225677 564062730 /nfs/dbraw/zinc/06/27/30/564062730.db2.gz FCDMQZRDTSGRFW-LBPRGKRZSA-N 0 0 337.514 4.175 50 0 EIAARN CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012583088 564060096 /nfs/dbraw/zinc/06/00/96/564060096.db2.gz TVVVCAXCXVBMER-LJQANCHMSA-N 0 0 349.434 4.327 50 0 EIAARN C[C@H]1Sc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2NC1=O ZINC000012602190 564060426 /nfs/dbraw/zinc/06/04/26/564060426.db2.gz KTGBMIWQLAQKRB-SECBINFHSA-N 0 0 332.812 4.025 50 0 EIAARN Cc1cc(CSc2ccccc2C(=O)Nc2cccc(C)n2)on1 ZINC000012608222 564060530 /nfs/dbraw/zinc/06/05/30/564060530.db2.gz QSIRJFPJHYKCPM-UHFFFAOYSA-N 0 0 339.420 4.231 50 0 EIAARN Cc1ccccc1CC(=O)Nc1cc(Cl)ccc1N1CCCC1 ZINC000012608730 564060534 /nfs/dbraw/zinc/06/05/34/564060534.db2.gz NHSMWIMDTZSJCS-UHFFFAOYSA-N 0 0 328.843 4.430 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc2c3c(cccc31)CC2 ZINC000012607852 564060550 /nfs/dbraw/zinc/06/05/50/564060550.db2.gz FYYNVHJTCIKPNI-UHFFFAOYSA-N 0 0 340.426 4.392 50 0 EIAARN O=C(Nc1ccccc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000012617995 564060676 /nfs/dbraw/zinc/06/06/76/564060676.db2.gz NXMAJMGGFUYANQ-UHFFFAOYSA-N 0 0 335.382 4.143 50 0 EIAARN Cc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000012618333 564060687 /nfs/dbraw/zinc/06/06/87/564060687.db2.gz CIFHYZSWBQDRAI-UHFFFAOYSA-N 0 0 335.382 4.061 50 0 EIAARN COc1ccc2c(c1)[C@H](C)N(C(=O)c1nc(C(C)C)cs1)CC2 ZINC000299769560 564060760 /nfs/dbraw/zinc/06/07/60/564060760.db2.gz NXIMWGFHNAMYNO-LBPRGKRZSA-N 0 0 330.453 4.035 50 0 EIAARN Cc1c(Cl)ccc(NC(=O)N(C)C[C@@H]2CCCCO2)c1Cl ZINC000299774421 564060832 /nfs/dbraw/zinc/06/08/32/564060832.db2.gz CXURITGDEZDWFZ-NSHDSACASA-N 0 0 331.243 4.335 50 0 EIAARN O=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccncc1 ZINC000012622250 564060981 /nfs/dbraw/zinc/06/09/81/564060981.db2.gz WETLDPPTJVWZQA-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN Cc1cc(C)c2nccc(-c3ccc(C(=O)N[C@@H]4CCOC4)cc3)c2c1 ZINC000534665533 564061553 /nfs/dbraw/zinc/06/15/53/564061553.db2.gz FOCBSNRBWLGZIO-GOSISDBHSA-N 0 0 346.430 4.037 50 0 EIAARN CC[C@H](NC(=O)N(Cc1ccsc1)C1CCCC1)c1ccnn1C ZINC000534676283 564061608 /nfs/dbraw/zinc/06/16/08/564061608.db2.gz OBJWISWSVKCINI-INIZCTEOSA-N 0 0 346.500 4.087 50 0 EIAARN Cc1nc(NC(=O)C[C@H](c2ccsc2)n2cccc2)sc1C ZINC000263588491 564061922 /nfs/dbraw/zinc/06/19/22/564061922.db2.gz UTOHHDAOGJDYQW-CQSZACIVSA-N 0 0 331.466 4.241 50 0 EIAARN Cc1occc1-c1nnc(S[C@H]2CCCC2=O)n1-c1ccccc1 ZINC000012640089 564061933 /nfs/dbraw/zinc/06/19/33/564061933.db2.gz IOHVNPMGSOJNCY-INIZCTEOSA-N 0 0 339.420 4.049 50 0 EIAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cc(Cl)ccn1 ZINC000263588707 564061955 /nfs/dbraw/zinc/06/19/55/564061955.db2.gz XLFSBFLWMVLUHH-CQSZACIVSA-N 0 0 331.828 4.216 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O ZINC000005440045 564062440 /nfs/dbraw/zinc/06/24/40/564062440.db2.gz BSMWNYLELYLHEH-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN CCCn1nc(NC(=O)c2ccco2)c2cc3cccc(C)c3nc21 ZINC000001292365 564062983 /nfs/dbraw/zinc/06/29/83/564062983.db2.gz VKCYZDZSUNLHOS-UHFFFAOYSA-N 0 0 334.379 4.148 50 0 EIAARN CCn1cc(CC(=O)NCc2nc3ccccc3s2)c2ccccc21 ZINC000083843379 564063602 /nfs/dbraw/zinc/06/36/02/564063602.db2.gz PTZNTYMYVGWEDI-UHFFFAOYSA-N 0 0 349.459 4.130 50 0 EIAARN Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1 ZINC000001383359 564064091 /nfs/dbraw/zinc/06/40/91/564064091.db2.gz DCDKMESAFQTANT-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN Cc1ccc(S(=O)(=O)Cc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000001392436 564064553 /nfs/dbraw/zinc/06/45/53/564064553.db2.gz IRCDXKXITALMPY-UHFFFAOYSA-N 0 0 347.823 4.277 50 0 EIAARN c1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1 ZINC000001397964 564064764 /nfs/dbraw/zinc/06/47/64/564064764.db2.gz WZQZDRFDQLUGEP-UHFFFAOYSA-N 0 0 339.402 4.213 50 0 EIAARN COc1ccc(OCc2cnc(OCc3ccccc3)s2)cc1 ZINC000001402011 564065034 /nfs/dbraw/zinc/06/50/34/564065034.db2.gz NMZMEDBHNIPSAG-UHFFFAOYSA-N 0 0 327.405 4.310 50 0 EIAARN COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000119775 564065364 /nfs/dbraw/zinc/06/53/64/564065364.db2.gz CHDODAJYQOTMTK-NSHDSACASA-N 0 0 339.313 4.120 50 0 EIAARN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc2ccccc2s1 ZINC000116691776 564065636 /nfs/dbraw/zinc/06/56/36/564065636.db2.gz HAHZFOLRIMMULP-QHCPKHFHSA-N 0 0 343.473 4.341 50 0 EIAARN CSCc1ccccc1NC(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000184746337 564065878 /nfs/dbraw/zinc/06/58/78/564065878.db2.gz ZAVGSYCWDZQNPL-YOEHRIQHSA-N 0 0 336.501 4.122 50 0 EIAARN Cc1ccccc1OCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012748042 564065996 /nfs/dbraw/zinc/06/59/96/564065996.db2.gz IZVLAUIROBWLTQ-UHFFFAOYSA-N 0 0 346.430 4.171 50 0 EIAARN CSCc1ccccc1NC(=O)N1CCC(C(F)(F)F)CC1 ZINC000184784648 564066322 /nfs/dbraw/zinc/06/63/22/564066322.db2.gz ZXXANPMPZZCTCP-UHFFFAOYSA-N 0 0 332.391 4.356 50 0 EIAARN CCCCn1cc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c(C)n1 ZINC000184794041 564066408 /nfs/dbraw/zinc/06/64/08/564066408.db2.gz RGYHHYYRRIKGJJ-UHFFFAOYSA-N 0 0 338.411 4.207 50 0 EIAARN Clc1snnc1CN1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084133268 564066814 /nfs/dbraw/zinc/06/68/14/564066814.db2.gz XVVUKRIASGWZKE-UHFFFAOYSA-N 0 0 334.659 4.057 50 0 EIAARN Cc1nc2cc(NC(=O)c3ccc(Br)cc3F)ccc2o1 ZINC000012755829 564067199 /nfs/dbraw/zinc/06/71/99/564067199.db2.gz ZDHXQRQTYRERBP-UHFFFAOYSA-N 0 0 349.159 4.290 50 0 EIAARN COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3)no2)cc1 ZINC000012755477 564067231 /nfs/dbraw/zinc/06/72/31/564067231.db2.gz QUZYEVKCVHSBIM-SFHVURJKSA-N 0 0 335.407 4.082 50 0 EIAARN CC(C)(C)c1ccc(C(=O)C(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000084241301 564067500 /nfs/dbraw/zinc/06/75/00/564067500.db2.gz ORIXGIFWWNADDM-UHFFFAOYSA-N 0 0 328.437 4.139 50 0 EIAARN Cc1noc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000084286742 564067591 /nfs/dbraw/zinc/06/75/91/564067591.db2.gz OFPXGRQQWBEFLR-UHFFFAOYSA-N 0 0 325.212 4.028 50 0 EIAARN Cc1nnc(-c2ccc(NC(=O)N(Cc3ccccc3)C3CC3)cc2)o1 ZINC000084291626 564067642 /nfs/dbraw/zinc/06/76/42/564067642.db2.gz QEDAIALKQGSBEW-UHFFFAOYSA-N 0 0 348.406 4.242 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccc2-n2ccnc2C)C1(C)C ZINC000084291114 564067643 /nfs/dbraw/zinc/06/76/43/564067643.db2.gz ONHDZISBUHMLLJ-PKOBYXMFSA-N 0 0 337.467 4.035 50 0 EIAARN Cc1nc2ccc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2s1 ZINC000084290384 564067696 /nfs/dbraw/zinc/06/76/96/564067696.db2.gz WCUGPPCVOCIWTJ-AWEZNQCLSA-N 0 0 341.440 4.087 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)s1)c1cc2c(s1)CCCC2 ZINC000012762677 564067794 /nfs/dbraw/zinc/06/77/94/564067794.db2.gz WKDQKMYRUZKIDE-UHFFFAOYSA-N 0 0 341.461 4.398 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc(F)c1 ZINC000012763356 564067835 /nfs/dbraw/zinc/06/78/35/564067835.db2.gz VCFHPZYFZGGXRB-UHFFFAOYSA-N 0 0 340.379 4.136 50 0 EIAARN O=C(NC1CC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000012766290 564068079 /nfs/dbraw/zinc/06/80/79/564068079.db2.gz XQCFPJXDUQKJPZ-INIZCTEOSA-N 0 0 337.753 4.017 50 0 EIAARN O=C(Nc1ccccc1N1CCCCCC1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000084506022 564068361 /nfs/dbraw/zinc/06/83/61/564068361.db2.gz ALABYRPXPYNAEK-QZTJIDSGSA-N 0 0 335.451 4.204 50 0 EIAARN O=C(c1ccc(-c2cnco2)cc1)N(C[C@H]1CCOC1)c1ccccc1 ZINC000084549130 564068699 /nfs/dbraw/zinc/06/86/99/564068699.db2.gz UWRAZGUGHLWZHI-MRXNPFEDSA-N 0 0 348.402 4.025 50 0 EIAARN O=C(NCc1cccc2ccccc21)c1c(Cl)nc2ccccn21 ZINC000084598464 564069000 /nfs/dbraw/zinc/06/90/00/564069000.db2.gz AXDKOHFIWRAFJF-UHFFFAOYSA-N 0 0 335.794 4.071 50 0 EIAARN O=C(NCc1cccc(F)c1)c1ccc(Sc2ccccn2)cc1 ZINC000084613291 564069081 /nfs/dbraw/zinc/06/90/81/564069081.db2.gz ADNPNVAPZDNPBP-UHFFFAOYSA-N 0 0 338.407 4.302 50 0 EIAARN Fc1cc(Nc2ncnc3ccsc32)cc(F)c1N1CCCC1 ZINC000084618371 564069140 /nfs/dbraw/zinc/06/91/40/564069140.db2.gz WGBGQVVEDIGVIX-UHFFFAOYSA-N 0 0 332.379 4.313 50 0 EIAARN CCCOc1ccccc1NC(=O)c1cccc(NC(=O)OCC)c1 ZINC000015610918 564069396 /nfs/dbraw/zinc/06/93/96/564069396.db2.gz ARTUUSBYTDDKTJ-UHFFFAOYSA-N 0 0 342.395 4.296 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000074072239 564069516 /nfs/dbraw/zinc/06/95/16/564069516.db2.gz LGMMGSUWNOORCR-OAHLLOKOSA-N 0 0 337.423 4.230 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)o1 ZINC000084688940 564069617 /nfs/dbraw/zinc/06/96/17/564069617.db2.gz UXIYNRSVBHINMZ-IUODEOHRSA-N 0 0 341.407 4.482 50 0 EIAARN Cc1ncccc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000219045867 564069710 /nfs/dbraw/zinc/06/97/10/564069710.db2.gz HYDHPHRQPREHBS-QGZVFWFLSA-N 0 0 346.883 4.364 50 0 EIAARN O=C(c1cc(Cl)sc1Cl)N1CCN(c2ccccc2)CC1 ZINC000015628611 564069760 /nfs/dbraw/zinc/06/97/60/564069760.db2.gz HZCSQGYONOCNRY-UHFFFAOYSA-N 0 0 341.263 4.017 50 0 EIAARN O=C(CCSc1nnc(C2CCCCC2)o1)NC1CCCCC1 ZINC000012782664 564070086 /nfs/dbraw/zinc/07/00/86/564070086.db2.gz ISBANSMOBPCSTK-UHFFFAOYSA-N 0 0 337.489 4.048 50 0 EIAARN CCCC(=O)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1 ZINC000015669734 564070439 /nfs/dbraw/zinc/07/04/39/564070439.db2.gz VTSXIFIEWZQYDW-UHFFFAOYSA-N 0 0 344.802 4.244 50 0 EIAARN C=C1C(Nc2ccc(F)cc2C)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000015671941 564070487 /nfs/dbraw/zinc/07/04/87/564070487.db2.gz HQISDIYIGFRLIO-UHFFFAOYSA-N 0 0 344.411 4.028 50 0 EIAARN CCN(C(=O)c1noc2c1COc1ccccc1-2)c1ccccc1F ZINC000015673856 564070510 /nfs/dbraw/zinc/07/05/10/564070510.db2.gz QZTZEQQQCZEFJH-UHFFFAOYSA-N 0 0 338.338 4.040 50 0 EIAARN c1cn(-c2ccccc2)c(SCc2nc(-c3ccccc3)no2)n1 ZINC000025964357 564070848 /nfs/dbraw/zinc/07/08/48/564070848.db2.gz LGFLMOOTHRLIJB-UHFFFAOYSA-N 0 0 334.404 4.215 50 0 EIAARN O=C(/C=C/c1cccc(F)c1)NCCCCOc1ccc(Cl)cc1 ZINC000012799530 564072412 /nfs/dbraw/zinc/07/24/12/564072412.db2.gz CAHGZQFRWDNMTJ-IZZDOVSWSA-N 0 0 347.817 4.468 50 0 EIAARN O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(Cl)s1 ZINC000085556849 564073974 /nfs/dbraw/zinc/07/39/74/564073974.db2.gz JQSPDXJDJWLEJU-UHFFFAOYSA-N 0 0 343.839 4.464 50 0 EIAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786963 564074924 /nfs/dbraw/zinc/07/49/24/564074924.db2.gz 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564077089 /nfs/dbraw/zinc/07/70/89/564077089.db2.gz MFMQHHUGAQQNGN-KRWDZBQOSA-N 0 0 336.387 4.338 50 0 EIAARN CCOC(=O)c1ccc(Oc2ncnc3c4ccccc4oc32)cc1 ZINC000015866525 564077198 /nfs/dbraw/zinc/07/71/98/564077198.db2.gz ZXIFXXAJZVTGCZ-UHFFFAOYSA-N 0 0 334.331 4.345 50 0 EIAARN CCc1nc2c3ccccc3oc2c(OCc2ccc3c(c2)OCO3)n1 ZINC000015866554 564077210 /nfs/dbraw/zinc/07/72/10/564077210.db2.gz XKYYIVZQVJGKSW-UHFFFAOYSA-N 0 0 348.358 4.246 50 0 EIAARN CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000087141252 564077313 /nfs/dbraw/zinc/07/73/13/564077313.db2.gz CEEAWLGXCIQQJA-KRWDZBQOSA-N 0 0 346.858 4.359 50 0 EIAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc2c(c1)CCCC2 ZINC000006178478 564077346 /nfs/dbraw/zinc/07/73/46/564077346.db2.gz UPLNUEDPSKDVSS-UHFFFAOYSA-N 0 0 349.459 4.326 50 0 EIAARN O=C(Nc1c(F)cc(F)cc1-c1ccccc1)c1cncc(F)c1 ZINC000160370673 564077428 /nfs/dbraw/zinc/07/74/28/564077428.db2.gz ZVNQBKSTQQARFZ-UHFFFAOYSA-N 0 0 328.293 4.418 50 0 EIAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N(C)C)cc1 ZINC000012896462 564077656 /nfs/dbraw/zinc/07/76/56/564077656.db2.gz XRRUYPRMGLFUMT-UHFFFAOYSA-N 0 0 340.398 4.003 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000012905551 564077811 /nfs/dbraw/zinc/07/78/11/564077811.db2.gz YTBWVJFQGLOMJA-UHFFFAOYSA-N 0 0 349.409 4.369 50 0 EIAARN Cc1nc(CCNc2ncnc3sc4c(c32)CCCCC4)cs1 ZINC000012910914 564077887 /nfs/dbraw/zinc/07/78/87/564077887.db2.gz MEGHKBTWHBGCRK-UHFFFAOYSA-N 0 0 344.509 4.380 50 0 EIAARN Cc1nc2cc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)ccc2o1 ZINC000012925001 564078490 /nfs/dbraw/zinc/07/84/90/564078490.db2.gz DZPNUSDYTIUYCF-SNVBAGLBSA-N 0 0 330.771 4.196 50 0 EIAARN O=C(NC1CC1)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000012925025 564078494 /nfs/dbraw/zinc/07/84/94/564078494.db2.gz PAUSOGCXNXZWPL-UHFFFAOYSA-N 0 0 349.217 4.138 50 0 EIAARN Cc1c(NC(=O)c2cc(Cl)ccn2)cnn1-c1cc(C)ccc1C ZINC000151918455 564078798 /nfs/dbraw/zinc/07/87/98/564078798.db2.gz JCCSIOBASLOFCV-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(F)cc1 ZINC000101935046 564078914 /nfs/dbraw/zinc/07/89/14/564078914.db2.gz QPAPKKSCKICNOT-PTNGSMBKSA-N 0 0 328.368 4.448 50 0 EIAARN CCSCc1cccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000088390605 564079044 /nfs/dbraw/zinc/07/90/44/564079044.db2.gz UZPHMSIOUDEHNE-MRXNPFEDSA-N 0 0 344.484 4.422 50 0 EIAARN Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000016087330 564079637 /nfs/dbraw/zinc/07/96/37/564079637.db2.gz XNUAIJVDXHRNBB-HNNXBMFYSA-N 0 0 325.433 4.188 50 0 EIAARN O=C(CSc1nc2ccccc2s1)N[C@H]1CCc2ccccc21 ZINC000012947594 564079754 /nfs/dbraw/zinc/07/97/54/564079754.db2.gz SFCTXJKVULUHPS-AWEZNQCLSA-N 0 0 340.473 4.192 50 0 EIAARN COc1cccc([C@H](C)Sc2n[nH]c(-c3ccccc3F)n2)c1 ZINC000075093662 564080019 /nfs/dbraw/zinc/08/00/19/564080019.db2.gz QQTGQVCGPXZCKR-NSHDSACASA-N 0 0 329.400 4.473 50 0 EIAARN O=C(COc1ccc(Oc2ccncc2)cc1)Nc1cccc(F)c1 ZINC000075109619 564080232 /nfs/dbraw/zinc/08/02/32/564080232.db2.gz APOHUFFFEWULIM-UHFFFAOYSA-N 0 0 338.338 4.031 50 0 EIAARN C[C@@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccsc1 ZINC000075142971 564080615 /nfs/dbraw/zinc/08/06/15/564080615.db2.gz AYOLVKYJIDLDSM-BDJLRTHQSA-N 0 0 341.436 4.218 50 0 EIAARN CC(C)N(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)C1CCC1 ZINC000075145076 564080730 /nfs/dbraw/zinc/08/07/30/564080730.db2.gz MGFBSERPZYOVDD-UHFFFAOYSA-N 0 0 330.403 4.203 50 0 EIAARN O=C(CSCc1ccccc1)N(CCc1cccs1)C1CC1 ZINC000075154797 564080824 /nfs/dbraw/zinc/08/08/24/564080824.db2.gz AUZNUFITDDAREJ-UHFFFAOYSA-N 0 0 331.506 4.215 50 0 EIAARN O=C(COc1ccc(Cl)cc1)N(CCc1cccs1)C1CC1 ZINC000075154799 564080838 /nfs/dbraw/zinc/08/08/38/564080838.db2.gz BNGZUXQHSIKDNT-UHFFFAOYSA-N 0 0 335.856 4.014 50 0 EIAARN Cc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2F)nc1 ZINC000075172190 564081054 /nfs/dbraw/zinc/08/10/54/564081054.db2.gz VKVAMOHAFFBYRZ-UHFFFAOYSA-N 0 0 338.342 4.360 50 0 EIAARN O=C(Nn1c2ccccc2[nH]c1=S)c1cccc(C(F)(F)F)c1 ZINC000075253048 564081218 /nfs/dbraw/zinc/08/12/18/564081218.db2.gz KEGJTIFSQAAYKV-UHFFFAOYSA-N 0 0 337.326 4.102 50 0 EIAARN O=C(COC(=O)c1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001599484 564081689 /nfs/dbraw/zinc/08/16/89/564081689.db2.gz DWURMHZPNXLARL-UHFFFAOYSA-N 0 0 332.355 4.099 50 0 EIAARN Cc1oc2ccc(NC(=O)c3cccc(C[S@](C)=O)c3)cc2c1C ZINC000186781116 564081721 /nfs/dbraw/zinc/08/17/21/564081721.db2.gz MYGYNYBAEKYJMZ-DEOSSOPVSA-N 0 0 341.432 4.180 50 0 EIAARN O=C(CCc1ccc(C(F)(F)F)cc1)NCc1cncc(C2CC2)c1 ZINC000575605994 564082408 /nfs/dbraw/zinc/08/24/08/564082408.db2.gz GQYVRMOTFNHERB-UHFFFAOYSA-N 0 0 348.368 4.227 50 0 EIAARN CCc1nc2c(cnn2-c2ccccc2)c2cc(OC)c(OC)cc12 ZINC000000332950 564082559 /nfs/dbraw/zinc/08/25/59/564082559.db2.gz FUIWHCHOHNMCPQ-UHFFFAOYSA-N 0 0 333.391 4.153 50 0 EIAARN COc1ccc(CCC(=O)NCc2ccc(-c3ccsc3)o2)cc1 ZINC000575610833 564082608 /nfs/dbraw/zinc/08/26/08/564082608.db2.gz QICICYHCQGRRRB-UHFFFAOYSA-N 0 0 341.432 4.266 50 0 EIAARN Cc1cc2nc(CC(=O)c3cccc4ccccc43)c(=O)[nH]c2cc1C ZINC000000408308 564082656 /nfs/dbraw/zinc/08/26/56/564082656.db2.gz 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/nfs/dbraw/zinc/08/55/41/564085541.db2.gz CEIOOOQFRWKQHS-STQMWFEESA-N 0 0 330.453 4.061 50 0 EIAARN Cc1ccc(N2C(=S)N=NC2CCc2ccccc2)cc1Cl ZINC000006401126 564085556 /nfs/dbraw/zinc/08/55/56/564085556.db2.gz PXUZUKHREQZZMJ-UHFFFAOYSA-N 0 0 329.856 4.303 50 0 EIAARN Fc1ccc(N2C(=S)N=NC2CCc2ccccc2)cc1Cl ZINC000006402863 564085573 /nfs/dbraw/zinc/08/55/73/564085573.db2.gz JYEBPHIKJWKXIM-UHFFFAOYSA-N 0 0 333.819 4.134 50 0 EIAARN O=C(CCCC(=O)c1cccs1)NC12CC3CC(CC(C3)C1)C2 ZINC000012984553 564085761 /nfs/dbraw/zinc/08/57/61/564085761.db2.gz VWGUYKDFCOJDDD-UHFFFAOYSA-N 0 0 331.481 4.186 50 0 EIAARN COc1cccc(CCC(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000013006491 564086424 /nfs/dbraw/zinc/08/64/24/564086424.db2.gz CMNYQKVOWQIGAS-UHFFFAOYSA-N 0 0 326.421 4.185 50 0 EIAARN Cc1cc(C[S@@](=O)Cc2ncoc2C(C)C)c2ccccc2n1 ZINC000092251994 564088921 /nfs/dbraw/zinc/08/89/21/564088921.db2.gz QQZHQBGBFXVEQF-QHCPKHFHSA-N 0 0 328.437 4.104 50 0 EIAARN Cc1cc([C@H](C)C(=O)N2CCC[C@H]2c2c(C)nn(C)c2Cl)c(C)o1 ZINC000075602440 564089763 /nfs/dbraw/zinc/08/97/63/564089763.db2.gz AMRCOYDTRVKAHQ-NHYWBVRUSA-N 0 0 349.862 4.059 50 0 EIAARN CC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000252588399 564090621 /nfs/dbraw/zinc/09/06/21/564090621.db2.gz ABYXJLPKQBCIGN-NPHAMFQZSA-N 0 0 326.312 4.004 50 0 EIAARN O[C@@H](CNc1ncnc2scc(-c3ccccc3)c21)c1ccco1 ZINC000075668682 564090644 /nfs/dbraw/zinc/09/06/44/564090644.db2.gz UUINKVKBRSQHPO-AWEZNQCLSA-N 0 0 337.404 4.097 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1 ZINC000002951332 564090648 /nfs/dbraw/zinc/09/06/48/564090648.db2.gz QOXBTCGLTFWJCL-SFHVURJKSA-N 0 0 325.408 4.386 50 0 EIAARN Cc1ccc(NC(=S)N2C[C@@H](O)Cc3ccc4ccccc4c32)cc1 ZINC000006507977 564091182 /nfs/dbraw/zinc/09/11/82/564091182.db2.gz HKHMEUIONZGRLU-SFHVURJKSA-N 0 0 348.471 4.269 50 0 EIAARN Cc1cccc(C(=O)OCc2coc(-c3ccccc3Cl)n2)c1O ZINC000064494255 564091837 /nfs/dbraw/zinc/09/18/37/564091837.db2.gz UNJNTYCKKPGAAT-UHFFFAOYSA-N 0 0 343.766 4.366 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)NCCSCc1ccco1 ZINC000006548633 564091870 /nfs/dbraw/zinc/09/18/70/564091870.db2.gz ALPCVVHCUKHNHX-UHFFFAOYSA-N 0 0 342.464 4.133 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1 ZINC000006541955 564091874 /nfs/dbraw/zinc/09/18/74/564091874.db2.gz IRZLGUQHMKGQGH-AWEZNQCLSA-N 0 0 325.408 4.420 50 0 EIAARN Cc1cnc(NC(=O)CSc2cccc(C(F)(F)F)c2)s1 ZINC000006559078 564092110 /nfs/dbraw/zinc/09/21/10/564092110.db2.gz AKEXRZXLKVDCRL-UHFFFAOYSA-N 0 0 332.372 4.201 50 0 EIAARN CSc1cc(C(=O)NCc2nc(C)c(C)o2)c(Cl)cc1Cl ZINC000089558513 564092841 /nfs/dbraw/zinc/09/28/41/564092841.db2.gz GBYJERMNFUWPHF-UHFFFAOYSA-N 0 0 345.251 4.250 50 0 EIAARN CCNc1c2ccccc2oc(=O)c1NC(=O)c1cccc(Cl)c1 ZINC000016681922 564092919 /nfs/dbraw/zinc/09/29/19/564092919.db2.gz UVIKEWKNELTWRS-UHFFFAOYSA-N 0 0 342.782 4.131 50 0 EIAARN O=C(Nc1ccc2c(c1)CCC2)c1cc(C2CC2)nn1-c1ccccc1 ZINC000006609488 564093238 /nfs/dbraw/zinc/09/32/38/564093238.db2.gz YTLGBQCBLSFUIW-UHFFFAOYSA-N 0 0 343.430 4.491 50 0 EIAARN COC[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(C)cc3F)c2)C1 ZINC000426387837 564093533 /nfs/dbraw/zinc/09/35/33/564093533.db2.gz KPYQJIYILUHYHD-MRXNPFEDSA-N 0 0 341.426 4.300 50 0 EIAARN Cc1cccnc1CCNC(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000426399248 564093591 /nfs/dbraw/zinc/09/35/91/564093591.db2.gz PGGRKHJDKPZHFF-IBGZPJMESA-N 0 0 341.430 4.008 50 0 EIAARN CCN(Cc1ccc(C)o1)C(=O)c1cccc(-c2ccc(C)nn2)c1 ZINC000426412413 564093693 /nfs/dbraw/zinc/09/36/93/564093693.db2.gz LCIGRRDUCUXTCY-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN CCn1cc(CNC(=O)N(Cc2ccsc2)C2CCCCC2)cn1 ZINC000426535208 564094080 /nfs/dbraw/zinc/09/40/80/564094080.db2.gz QQRHLMZULISDQP-UHFFFAOYSA-N 0 0 346.500 4.009 50 0 EIAARN COCC(C)(C)N(C)C(=O)c1ccc(-c2ccc(OC)cc2C)cc1 ZINC000426563217 564094131 /nfs/dbraw/zinc/09/41/31/564094131.db2.gz ORPOJUCZRLUAJJ-UHFFFAOYSA-N 0 0 341.451 4.168 50 0 EIAARN Cc1ccc(CNc2nc(C)nc3c(-c4ccc(C)cc4)noc32)o1 ZINC000064658495 564094739 /nfs/dbraw/zinc/09/47/39/564094739.db2.gz FONZZSCUTSYEDD-UHFFFAOYSA-N 0 0 334.379 4.415 50 0 EIAARN CCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(Cl)cc1 ZINC000006638549 564094791 /nfs/dbraw/zinc/09/47/91/564094791.db2.gz VFOHLHGHGXLVPE-UHFFFAOYSA-N 0 0 330.859 4.281 50 0 EIAARN CCc1ccc(CNC(=O)c2cc3cccc4c3n2C[C@H](CC)O4)cc1 ZINC000064657969 564094816 /nfs/dbraw/zinc/09/48/16/564094816.db2.gz RIEGXZIHKUFACN-SFHVURJKSA-N 0 0 348.446 4.305 50 0 EIAARN O=C(C1CCCCC1)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064663016 564094840 /nfs/dbraw/zinc/09/48/40/564094840.db2.gz RDYPMBMWMCYZCW-UHFFFAOYSA-N 0 0 335.451 4.015 50 0 EIAARN Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@H]2c1ccccc1 ZINC000064667247 564094935 /nfs/dbraw/zinc/09/49/35/564094935.db2.gz AXMXSQKJZUASRF-AWEZNQCLSA-N 0 0 337.810 4.308 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000006649097 564095084 /nfs/dbraw/zinc/09/50/84/564095084.db2.gz LRPRLROGODLAIN-UHFFFAOYSA-N 0 0 335.407 4.058 50 0 EIAARN Cc1ccc(-c2nc(C(=O)NC3CCCCCCC3)cs2)n1C ZINC000064676556 564095184 /nfs/dbraw/zinc/09/51/84/564095184.db2.gz 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/nfs/dbraw/zinc/09/84/70/564098470.db2.gz LDBCMAGJSJPAJR-UHFFFAOYSA-N 0 0 329.425 4.151 50 0 EIAARN Cc1cc2occ(CC(=O)Nc3nnc(C(C)C)s3)c2c(C)c1 ZINC000006809843 564098483 /nfs/dbraw/zinc/09/84/83/564098483.db2.gz VFQJSCKTAOFVOS-UHFFFAOYSA-N 0 0 329.425 4.206 50 0 aggregator EIAARN CCOC(=O)c1cc(NC(=O)Nc2cc(C)ccc2C)c(C)nc1C ZINC000006809944 564098504 /nfs/dbraw/zinc/09/85/04/564098504.db2.gz LGHWKWIZGBNLQN-UHFFFAOYSA-N 0 0 341.411 4.136 50 0 EIAARN CCCn1nnc2cc(-c3noc(/C=C/c4cccs4)n3)ccc21 ZINC000064980020 564098917 /nfs/dbraw/zinc/09/89/17/564098917.db2.gz NFORKMBCGVNGFO-SOFGYWHQSA-N 0 0 337.408 4.123 50 0 EIAARN CSCc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000006823429 564098947 /nfs/dbraw/zinc/09/89/47/564098947.db2.gz QTLLIARAEYATMP-UHFFFAOYSA-N 0 0 341.461 4.320 50 0 EIAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccco1 ZINC000006840727 564099364 /nfs/dbraw/zinc/09/93/64/564099364.db2.gz HLQBFYVNWJXTJX-UHFFFAOYSA-N 0 0 348.351 4.167 50 0 EIAARN CCCNC(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025539 564099643 /nfs/dbraw/zinc/09/96/43/564099643.db2.gz SOAZMKUFSJSKMC-UHFFFAOYSA-N 0 0 338.455 4.028 50 0 EIAARN COC(=O)c1cc(OCc2ccccc2F)c2cc(C)ccc2n1 ZINC000065033142 564099837 /nfs/dbraw/zinc/09/98/37/564099837.db2.gz KRPBJMHTIOOONA-UHFFFAOYSA-N 0 0 325.339 4.048 50 0 EIAARN O=C(Nc1ccccc1)Oc1cccc(NC(=O)N2CCCCC2)c1 ZINC000006864356 564100018 /nfs/dbraw/zinc/10/00/18/564100018.db2.gz DKGYZDCGVDZBDL-UHFFFAOYSA-N 0 0 339.395 4.315 50 0 EIAARN CCCc1nn(-c2ccccc2C)c(CC)c1C(=O)NCC(C)C ZINC000006872746 564100186 /nfs/dbraw/zinc/10/01/86/564100186.db2.gz VOKRJLHJVMLXDF-UHFFFAOYSA-N 0 0 327.472 4.081 50 0 EIAARN Cc1csc2c1ncnc2Sc1nnc(C(F)(F)F)s1 ZINC000192844576 564100194 /nfs/dbraw/zinc/10/01/94/564100194.db2.gz MZDLPCKGUVINAC-UHFFFAOYSA-N 0 0 334.373 4.021 50 0 EIAARN Cc1c(C(=O)NCC(C)C)c(CC(C)C)nn1-c1cccc(C)c1 ZINC000006874494 564100251 /nfs/dbraw/zinc/10/02/51/564100251.db2.gz VZUVUTFQZPRHBP-UHFFFAOYSA-N 0 0 327.472 4.073 50 0 EIAARN Cc1cc(C)cc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000006879580 564100428 /nfs/dbraw/zinc/10/04/28/564100428.db2.gz BBUSXWOAUUBFDA-UHFFFAOYSA-N 0 0 337.341 4.017 50 0 EIAARN CCCCN(CC)C(=O)c1ccc(C[S@](=O)c2ccccc2C)o1 ZINC000006895371 564100916 /nfs/dbraw/zinc/10/09/16/564100916.db2.gz XWZWTKHNYXCOFH-XMMPIXPASA-N 0 0 347.480 4.158 50 0 EIAARN O=C(c1cccs1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 ZINC000371426485 564101281 /nfs/dbraw/zinc/10/12/81/564101281.db2.gz XROLYWDDEHITGE-LBPRGKRZSA-N 0 0 340.370 4.225 50 0 EIAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(Cl)c1 ZINC000065114103 564101335 /nfs/dbraw/zinc/10/13/35/564101335.db2.gz BQPAGRPNBUTWDL-UHFFFAOYSA-N 0 0 341.798 4.430 50 0 EIAARN Cc1ccccc1-c1nc(-c2ccc3c(c2)oc(=O)n3C(C)C)no1 ZINC000065138316 564101578 /nfs/dbraw/zinc/10/15/78/564101578.db2.gz XLLATSPEPARHPK-UHFFFAOYSA-N 0 0 335.363 4.201 50 0 EIAARN Cn1cc2c3c1cccc3CN(C(=O)c1ccc(F)cc1Cl)CC2 ZINC000065148789 564101640 /nfs/dbraw/zinc/10/16/40/564101640.db2.gz HRBGYIUKQKIWDE-UHFFFAOYSA-N 0 0 342.801 4.169 50 0 EIAARN CCOc1ccccc1NC(=O)N1CCc2cn(C)c3cccc(c23)C1 ZINC000065148842 564101649 /nfs/dbraw/zinc/10/16/49/564101649.db2.gz OKDJDSIMZCTDJW-UHFFFAOYSA-N 0 0 349.434 4.167 50 0 EIAARN Cc1ccc(NC(=O)N2CCc3cn(C)c4cccc(c34)C2)cc1F ZINC000065148861 564101652 /nfs/dbraw/zinc/10/16/52/564101652.db2.gz UOAXKYGHFYWTCP-UHFFFAOYSA-N 0 0 337.398 4.216 50 0 EIAARN CCc1nnc(-c2cc(NC(=O)Cc3ccccc3C)c(C)s2)o1 ZINC000065149279 564101682 /nfs/dbraw/zinc/10/16/82/564101682.db2.gz IRGZRLUBOPINSB-UHFFFAOYSA-N 0 0 341.436 4.159 50 0 EIAARN CCCn1cc(CCNC(=O)c2ccc(Cl)cc2)c2cccnc21 ZINC000065163803 564102126 /nfs/dbraw/zinc/10/21/26/564102126.db2.gz JDLVAMLMQBYFMA-UHFFFAOYSA-N 0 0 341.842 4.072 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCC(CCOc2ccncc2)CC1 ZINC000065181071 564102348 /nfs/dbraw/zinc/10/23/48/564102348.db2.gz UYSZWUBDSUVZPK-UHFFFAOYSA-N 0 0 344.842 4.056 50 0 EIAARN Cc1ccc(SCCN2C(=O)NC3(CCCCCCC3)C2=O)cc1 ZINC000006974803 564102594 /nfs/dbraw/zinc/10/25/94/564102594.db2.gz VYSDPGYQAHWHDY-UHFFFAOYSA-N 0 0 346.496 4.122 50 0 EIAARN Cc1ccc(C(=O)NCc2ccc(-c3nc(C(C)C)no3)s2)s1 ZINC000065196030 564102615 /nfs/dbraw/zinc/10/26/15/564102615.db2.gz XXHHVHSLJFSZRZ-UHFFFAOYSA-N 0 0 347.465 4.221 50 0 EIAARN O=C(CCc1conc1-c1ccccc1)NCc1ccccc1Cl ZINC000065213319 564102778 /nfs/dbraw/zinc/10/27/78/564102778.db2.gz YBPTUHMSWZIJFT-UHFFFAOYSA-N 0 0 340.810 4.244 50 0 EIAARN CCc1ccccc1-n1nnc(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000007006586 564103067 /nfs/dbraw/zinc/10/30/67/564103067.db2.gz JJEBVIXRVBYALR-UHFFFAOYSA-N 0 0 345.406 4.164 50 0 EIAARN O=C(c1ccccn1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21 ZINC000065254893 564103484 /nfs/dbraw/zinc/10/34/84/564103484.db2.gz WHWGXYKOPVOKKE-UHFFFAOYSA-N 0 0 347.443 4.285 50 0 EIAARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NCc1ccncc1 ZINC000013152489 564103707 /nfs/dbraw/zinc/10/37/07/564103707.db2.gz JJRKCJKZOGFYPI-UHFFFAOYSA-N 0 0 329.407 4.022 50 0 EIAARN O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1cccc(O)c1 ZINC000524733710 564103790 /nfs/dbraw/zinc/10/37/90/564103790.db2.gz ITSGLIUXIPKFAT-SFHVURJKSA-N 0 0 340.810 4.465 50 0 EIAARN C[C@H](NC(=O)C1CCC(n2cccc2)CC1)c1csc(C2CC2)n1 ZINC000169985225 564104099 /nfs/dbraw/zinc/10/40/99/564104099.db2.gz FSYTXXAYMGAEAA-HLIUYOAVSA-N 0 0 343.496 4.431 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 ZINC000007069060 564104199 /nfs/dbraw/zinc/10/41/99/564104199.db2.gz WEWQFTBKXAPTDI-UHFFFAOYSA-N 0 0 336.160 4.043 50 0 EIAARN O=C(Nc1cccn2nc(C3CCC3)nc12)c1c(F)cccc1Cl ZINC000065283727 564104266 /nfs/dbraw/zinc/10/42/66/564104266.db2.gz UTPAUVKYLBHPJC-UHFFFAOYSA-N 0 0 344.777 4.042 50 0 EIAARN Cc1ccc(CN2CCCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286079 564104361 /nfs/dbraw/zinc/10/43/61/564104361.db2.gz VUQNIVLHRFMINE-SFHVURJKSA-N 0 0 334.423 4.167 50 0 EIAARN CC(C)[C@H](NC(=O)c1cncc(Br)c1)c1cccs1 ZINC000007078172 564104785 /nfs/dbraw/zinc/10/47/85/564104785.db2.gz BANLGTFPLYHMBG-ZDUSSCGKSA-N 0 0 339.258 4.033 50 0 EIAARN Cc1oc(C2CCC2)nc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000065293545 564104822 /nfs/dbraw/zinc/10/48/22/564104822.db2.gz RALBBTFPWFDMQI-UHFFFAOYSA-N 0 0 338.329 4.199 50 0 EIAARN CCn1cc(-c2ccc(F)cc2)cc1C(=O)N[C@H](C)c1ccccn1 ZINC000065307124 564104910 /nfs/dbraw/zinc/10/49/10/564104910.db2.gz QJDCUKRYSOQVBM-CQSZACIVSA-N 0 0 337.398 4.200 50 0 EIAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)c2ccccc2)o1 ZINC000007115498 564105060 /nfs/dbraw/zinc/10/50/60/564105060.db2.gz FMUSUEOMDXOEPX-UHFFFAOYSA-N 0 0 346.390 4.336 50 0 EIAARN COc1ccc(CN(C(=O)Cn2c(C)cc3ccccc32)C2CC2)cc1 ZINC000007116264 564105079 /nfs/dbraw/zinc/10/50/79/564105079.db2.gz IYOQQBQWFSBYJC-UHFFFAOYSA-N 0 0 348.446 4.150 50 0 EIAARN CC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C ZINC000065322260 564105234 /nfs/dbraw/zinc/10/52/34/564105234.db2.gz IPANXRHFYIIRQY-UHFFFAOYSA-N 0 0 342.487 4.198 50 0 EIAARN O=C(Nc1cccc(C(=O)NC2CCCCCC2)c1)c1cccs1 ZINC000007136670 564105413 /nfs/dbraw/zinc/10/54/13/564105413.db2.gz CDRJCPRYFOBDOK-UHFFFAOYSA-N 0 0 342.464 4.453 50 0 EIAARN C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1cccnc1 ZINC000007146978 564105490 /nfs/dbraw/zinc/10/54/90/564105490.db2.gz QLUVBCBSHZQJAP-OAHLLOKOSA-N 0 0 344.480 4.169 50 0 EIAARN CCc1ccc2c(CC(=O)N[C@H]3CCOc4ccccc43)coc2c1 ZINC000007216770 564105845 /nfs/dbraw/zinc/10/58/45/564105845.db2.gz XAAKPTCWZBUISU-SFHVURJKSA-N 0 0 335.403 4.178 50 0 EIAARN O=C(Nc1cccc(N2CCCC2)c1)N[C@H]1CCCc2ccccc21 ZINC000065475505 564106271 /nfs/dbraw/zinc/10/62/71/564106271.db2.gz ZNGAWYSDZRQTGO-FQEVSTJZSA-N 0 0 335.451 4.486 50 0 EIAARN Brc1ccc(NCc2nnc(-c3ccccc3)o2)cc1 ZINC000007276966 564106318 /nfs/dbraw/zinc/10/63/18/564106318.db2.gz JUIZNCSIAIJKCD-UHFFFAOYSA-N 0 0 330.185 4.111 50 0 EIAARN CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1ccccc1 ZINC000007285400 564106411 /nfs/dbraw/zinc/10/64/11/564106411.db2.gz HRNMSLPDVMTFFE-UHFFFAOYSA-N 0 0 347.443 4.288 50 0 EIAARN O=C(Nc1cc(F)cc(N2CCCC2)c1)c1cccc2cccnc21 ZINC000065493112 564106485 /nfs/dbraw/zinc/10/64/85/564106485.db2.gz KKXNESORCBSHHD-UHFFFAOYSA-N 0 0 335.382 4.226 50 0 EIAARN C[C@H](Nc1cccc(Cn2cccn2)c1)c1nnc(-c2ccccc2)o1 ZINC000065513190 564106780 /nfs/dbraw/zinc/10/67/80/564106780.db2.gz YUSQNROZDXHXQP-HNNXBMFYSA-N 0 0 345.406 4.155 50 0 EIAARN COc1cccc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)c1 ZINC000065513097 564106787 /nfs/dbraw/zinc/10/67/87/564106787.db2.gz FBQGINZUBDVBRG-UHFFFAOYSA-N 0 0 337.379 4.121 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2Cc3ccccc3S2)n1 ZINC000065519024 564106820 /nfs/dbraw/zinc/10/68/20/564106820.db2.gz JOYYNWKPCMRIIK-HOCLYGCPSA-N 0 0 344.505 4.222 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)noc1C ZINC000007398996 564107761 /nfs/dbraw/zinc/10/77/61/564107761.db2.gz IWNJGASSMFXKSU-UHFFFAOYSA-N 0 0 330.428 4.169 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(C2CC2)s1 ZINC000007407489 564108041 /nfs/dbraw/zinc/10/80/41/564108041.db2.gz ABRGQCPYJJEYGU-UHFFFAOYSA-N 0 0 335.432 4.264 50 0 EIAARN O=C(Nc1cccc(Cl)c1Cl)c1ccnc(OCC2CC2)c1 ZINC000239846381 564108167 /nfs/dbraw/zinc/10/81/67/564108167.db2.gz LCVHUJFANWMOCU-UHFFFAOYSA-N 0 0 337.206 4.430 50 0 EIAARN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 ZINC000065623649 564108519 /nfs/dbraw/zinc/10/85/19/564108519.db2.gz UVRCHJLMLBDUGI-ZWKOTPCHSA-N 0 0 326.827 4.030 50 0 EIAARN Cc1oc2nc(CN[C@@H](CC(C)C)c3ccccc3)nc(N)c2c1C ZINC000170591649 564108823 /nfs/dbraw/zinc/10/88/23/564108823.db2.gz ZJDXDWJRJBTLIB-INIZCTEOSA-N 0 0 338.455 4.299 50 0 EIAARN Cc1ccc(CC(=O)OCc2sc(C)nc2C(F)(F)F)s1 ZINC000170595204 564109026 /nfs/dbraw/zinc/10/90/26/564109026.db2.gz DSKGTHDOSVTGJQ-UHFFFAOYSA-N 0 0 335.372 4.126 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)n1)C1(c2cccc(F)c2)CCC1 ZINC000170606904 564109606 /nfs/dbraw/zinc/10/96/06/564109606.db2.gz VVJSQTKITLIMCH-UHFFFAOYSA-N 0 0 338.304 4.300 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc2c[nH]nc2cc1C ZINC000170611491 564109803 /nfs/dbraw/zinc/10/98/03/564109803.db2.gz SGLDLYVKEAVYOD-UHFFFAOYSA-N 0 0 346.390 4.016 50 0 EIAARN COc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000007526098 564109836 /nfs/dbraw/zinc/10/98/36/564109836.db2.gz WLIVKEFFSHOFOQ-UHFFFAOYSA-N 0 0 340.492 4.347 50 0 EIAARN COC(=O)Nc1ccc(O[C@@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000170616317 564110037 /nfs/dbraw/zinc/11/00/37/564110037.db2.gz RDMKIFGPXJZKOR-LBPRGKRZSA-N 0 0 339.351 4.055 50 0 EIAARN FC(F)(F)c1ccnc(SCc2ccc(Cl)nc2Cl)n1 ZINC000170617580 564110088 /nfs/dbraw/zinc/11/00/88/564110088.db2.gz SESVZJKVSPUTHF-UHFFFAOYSA-N 0 0 340.157 4.490 50 0 EIAARN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@@H]1C1CCC1 ZINC000170620937 564110290 /nfs/dbraw/zinc/11/02/90/564110290.db2.gz IXSJNEYYCPAXND-QGZVFWFLSA-N 0 0 329.831 4.135 50 0 EIAARN Cc1nc2ccc(C(=O)OCc3ccccc3Cl)cc2nc1C ZINC000007557408 564110353 /nfs/dbraw/zinc/11/03/53/564110353.db2.gz WXAWYCAGHHDXCN-UHFFFAOYSA-N 0 0 326.783 4.257 50 0 EIAARN CCc1cc(=O)[nH]c(-c2ccc(NCC3CCCCCCC3)nc2)n1 ZINC000170623496 564110441 /nfs/dbraw/zinc/11/04/41/564110441.db2.gz CMDWRPJYPCEXSJ-UHFFFAOYSA-N 0 0 340.471 4.167 50 0 EIAARN CC(C)(C)c1cn2nc(N3CCC[C@]4(CC=CCC4)C3)sc2n1 ZINC000170626878 564110561 /nfs/dbraw/zinc/11/05/61/564110561.db2.gz YCCNMPSFRQQBPA-GOSISDBHSA-N 0 0 330.501 4.415 50 0 EIAARN Cc1cc(F)cc2[nH]c(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)cc21 ZINC000170631064 564110656 /nfs/dbraw/zinc/11/06/56/564110656.db2.gz LXNHWEMYAUOYTE-ACJLOTCBSA-N 0 0 346.446 4.187 50 0 EIAARN CCS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000071297091 564110967 /nfs/dbraw/zinc/11/09/67/564110967.db2.gz KSGCNXAZROJSNW-UHFFFAOYSA-N 0 0 337.400 4.442 50 0 investigational EIAARN Cc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)o1 ZINC000071793388 564111133 /nfs/dbraw/zinc/11/11/33/564111133.db2.gz LJPXOBNIJYPAJA-UHFFFAOYSA-N 0 0 339.420 4.398 50 0 EIAARN C[C@H]1CCCCN1C(=O)CC1(CC(=O)N2CCCC[C@@H]2C)CCCC1 ZINC000071795033 564111136 /nfs/dbraw/zinc/11/11/36/564111136.db2.gz MYNBXBIUWLOBBH-ROUUACIJSA-N 0 0 348.531 4.129 50 0 EIAARN O=C(CSCc1cccnc1)Nc1cc(C(F)(F)F)ccc1F ZINC000071794717 564111155 /nfs/dbraw/zinc/11/11/55/564111155.db2.gz UZVHVHCNQDKBCL-UHFFFAOYSA-N 0 0 344.333 4.111 50 0 EIAARN COc1cccc(NC(=O)NCc2ccc(Cl)c(Cl)c2)c1 ZINC000013325360 564111520 /nfs/dbraw/zinc/11/15/20/564111520.db2.gz QSLJXCWXRVUMIA-UHFFFAOYSA-N 0 0 325.195 4.324 50 0 EIAARN CC[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000013330135 564111580 /nfs/dbraw/zinc/11/15/80/564111580.db2.gz UYMUDKSCWMRETK-OAHLLOKOSA-N 0 0 345.798 4.048 50 0 EIAARN Cc1ccc(Cn2ccc(NC(=S)Nc3ccc(C)cc3)n2)cc1 ZINC000013330854 564111637 /nfs/dbraw/zinc/11/16/37/564111637.db2.gz OPUKPJZRVRTEJW-UHFFFAOYSA-N 0 0 336.464 4.357 50 0 EIAARN COC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004037902 564111657 /nfs/dbraw/zinc/11/16/57/564111657.db2.gz CEZKLEHYJURHTB-PXJWFIIQSA-N 0 0 349.515 4.115 50 0 biogenic EIAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccnn4C)cc3)sc2c1 ZINC000013655301 564111868 /nfs/dbraw/zinc/11/18/68/564111868.db2.gz OVKFBSDFDFCUOZ-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccsc1 ZINC000013698094 564111896 /nfs/dbraw/zinc/11/18/96/564111896.db2.gz CCCXXNMFJSPOGI-UHFFFAOYSA-N 0 0 332.812 4.295 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1ccccc1Cl)O[C@@H](C)C2 ZINC000014023458 564112159 /nfs/dbraw/zinc/11/21/59/564112159.db2.gz JCQQKTLFROYEGL-NSHDSACASA-N 0 0 331.799 4.314 50 0 EIAARN O=c1c2sc(-c3ccccc3)cc2ncn1CCOc1ccccc1 ZINC000014366073 564112443 /nfs/dbraw/zinc/11/24/43/564112443.db2.gz XTQLPPGVSDFNFA-UHFFFAOYSA-N 0 0 348.427 4.204 50 0 EIAARN Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccnn3C(C)C)C2)cc1 ZINC000089632206 564112847 /nfs/dbraw/zinc/11/28/47/564112847.db2.gz WSRRXGPKQJSVCK-GOSISDBHSA-N 0 0 340.471 4.259 50 0 EIAARN Cc1ccccc1CN(Cc1cccnc1)c1cc(Cl)nc(C)n1 ZINC000089689348 564113124 /nfs/dbraw/zinc/11/31/24/564113124.db2.gz MIPOVRVMXDRVRB-UHFFFAOYSA-N 0 0 338.842 4.349 50 0 EIAARN Cc1nnc([C@@H]2CCCN2Cc2ncc(-c3cccc(Cl)c3)o2)o1 ZINC000089736295 564113487 /nfs/dbraw/zinc/11/34/87/564113487.db2.gz HHGBNMWAGKTREL-AWEZNQCLSA-N 0 0 344.802 4.024 50 0 EIAARN Cn1cnnc1-c1cccc(NCc2cnc(-c3ccccc3)s2)c1 ZINC000089761962 564113585 /nfs/dbraw/zinc/11/35/85/564113585.db2.gz VMEVMNMFOYEJTF-UHFFFAOYSA-N 0 0 347.447 4.218 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ZINC000328594254 564136808 /nfs/dbraw/zinc/13/68/08/564136808.db2.gz JRVTWWLZKVPOEZ-UHFFFAOYSA-N 0 0 339.370 4.148 50 0 EIAARN Cn1c2ccccc2nc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000027924075 564137546 /nfs/dbraw/zinc/13/75/46/564137546.db2.gz CXBPCZJSKNZNRM-UHFFFAOYSA-N 0 0 334.301 4.236 50 0 EIAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCC(F)(F)F)cc1 ZINC000079372822 564138162 /nfs/dbraw/zinc/13/81/62/564138162.db2.gz FZVCQDUAJOURFW-HNNXBMFYSA-N 0 0 329.362 4.481 50 0 EIAARN COc1cc(SC)ccc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000278415023 564138345 /nfs/dbraw/zinc/13/83/45/564138345.db2.gz ZROGDUDMWIKVNP-CZUORRHYSA-N 0 0 337.485 4.197 50 0 EIAARN COc1ccc(C(=O)N[C@H](c2ccsc2)c2cccs2)cc1 ZINC000390827110 564138496 /nfs/dbraw/zinc/13/84/96/564138496.db2.gz UGNLGWWTWGXAQP-MRXNPFEDSA-N 0 0 329.446 4.338 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CSC(C)(C)C ZINC000390828437 564138565 /nfs/dbraw/zinc/13/85/65/564138565.db2.gz BAUWNJWYPOYBCB-CVEARBPZSA-N 0 0 335.513 4.367 50 0 EIAARN CCc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)s1 ZINC000390830678 564138655 /nfs/dbraw/zinc/13/86/55/564138655.db2.gz MQEPFIRGWKQWHV-UHFFFAOYSA-N 0 0 347.461 4.049 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)c1 ZINC000390832104 564138727 /nfs/dbraw/zinc/13/87/27/564138727.db2.gz XHRCNVYKJXJOSB-UHFFFAOYSA-N 0 0 341.432 4.042 50 0 EIAARN O=C(Cc1noc2ccccc21)N(Cc1cscn1)c1ccccc1 ZINC000390833166 564138729 /nfs/dbraw/zinc/13/87/29/564138729.db2.gz DAANJCWDTXVSNB-UHFFFAOYSA-N 0 0 349.415 4.060 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)[C@@H](c3cccnc3)C(C)C)c2)n1 ZINC000390835023 564138981 /nfs/dbraw/zinc/13/89/81/564138981.db2.gz AZYSAVYDLXHLIO-HXUWFJFHSA-N 0 0 346.434 4.225 50 0 EIAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)Cc1cccc(O)c1 ZINC000080008736 564139072 /nfs/dbraw/zinc/13/90/72/564139072.db2.gz SKRAIYJOJMTQTQ-QGZVFWFLSA-N 0 0 342.439 4.149 50 0 EIAARN Cc1nc(C)c(C(=O)N(c2cnc3ccccc3c2)C(C)C)s1 ZINC000279671701 564140529 /nfs/dbraw/zinc/14/05/29/564140529.db2.gz JSOLEHKSWKWRGU-UHFFFAOYSA-N 0 0 325.437 4.363 50 0 EIAARN C[C@H](OC(=O)c1ccc(Br)o1)c1nc2ccccc2o1 ZINC000095461470 564140769 /nfs/dbraw/zinc/14/07/69/564140769.db2.gz XQIMIWMPELRYNK-QMMMGPOBSA-N 0 0 336.141 4.101 50 0 EIAARN CC(C)n1ccc2c1cccc2C(=O)NCCn1cnc2ccccc21 ZINC000095474246 564141354 /nfs/dbraw/zinc/14/13/54/564141354.db2.gz BBHFQMDCZSVTHD-UHFFFAOYSA-N 0 0 346.434 4.002 50 0 EIAARN O=C1CS[C@@H](c2ccccc2)c2cnn(-c3ccccc3F)c2N1 ZINC000095479429 564141520 /nfs/dbraw/zinc/14/15/20/564141520.db2.gz NVZOXARXYIZKDW-KRWDZBQOSA-N 0 0 339.395 4.436 50 0 EIAARN COc1ccc(-n2cnc3c2[C@@H](CC(C)C)SCC(=O)N3)cc1 ZINC000095479108 564141534 /nfs/dbraw/zinc/14/15/34/564141534.db2.gz ILKIGJGAHXIOIN-CQSZACIVSA-N 0 0 331.441 4.303 50 0 EIAARN Cc1csc(NC(=O)c2nc(Br)sc2C(C)C)n1 ZINC000095480096 564141555 /nfs/dbraw/zinc/14/15/55/564141555.db2.gz AVRCEHUZUNWANZ-UHFFFAOYSA-N 0 0 346.275 4.046 50 0 EIAARN COCc1ccc([C@H]2CCCN2C(=O)NC[C@@H](C)c2ccsc2)o1 ZINC000095944857 564142132 /nfs/dbraw/zinc/14/21/32/564142132.db2.gz 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CC[C@H](C)[C@H](NC(=O)C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276195 564146237 /nfs/dbraw/zinc/14/62/37/564146237.db2.gz ABNATTHUQDBFNX-HZMBPMFUSA-N 0 0 333.819 4.003 50 0 EIAARN CC(C)[C@@H](NC(=O)C1CCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278775 564146328 /nfs/dbraw/zinc/14/63/28/564146328.db2.gz BHFNGDGEJLBRME-CQSZACIVSA-N 0 0 333.819 4.003 50 0 EIAARN CCCN(CCc1nc(-c2ccc(C)cc2)no1)C(=O)CC(C)(C)C ZINC000096278341 564146331 /nfs/dbraw/zinc/14/63/31/564146331.db2.gz IEPKNVMPODEANW-UHFFFAOYSA-N 0 0 343.471 4.262 50 0 EIAARN Cc1cccc(Oc2nc(C)nc(N(C)Cc3ccccc3)c2N)c1 ZINC000096286953 564146378 /nfs/dbraw/zinc/14/63/78/564146378.db2.gz RMJVLDMQFATDNZ-UHFFFAOYSA-N 0 0 334.423 4.104 50 0 EIAARN COc1ccccc1Oc1ncnc(-c2ccc(Cl)cc2F)c1N ZINC000096286951 564146388 /nfs/dbraw/zinc/14/63/88/564146388.db2.gz BHCYCFMPDHCAFP-UHFFFAOYSA-N 0 0 345.761 4.319 50 0 EIAARN CCCCN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccccc1 ZINC000096293599 564146509 /nfs/dbraw/zinc/14/65/09/564146509.db2.gz YKKNMYWZTNSCGL-UHFFFAOYSA-N 0 0 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ZINC000002617984 564151165 /nfs/dbraw/zinc/15/11/65/564151165.db2.gz OQXFAQKAUDADFT-UHFFFAOYSA-N 0 0 333.746 4.415 50 0 EIAARN O=C(CSc1cccc2cccc(Cl)c21)NCc1ccco1 ZINC000002620588 564151229 /nfs/dbraw/zinc/15/12/29/564151229.db2.gz ZYMVUHBHTJPXDC-UHFFFAOYSA-N 0 0 331.824 4.495 50 0 EIAARN CCSc1nnc(NC(=O)c2cc(C)nc3ccc(C)cc32)s1 ZINC000002636031 564151568 /nfs/dbraw/zinc/15/15/68/564151568.db2.gz XYIQBMGCKBLFHD-UHFFFAOYSA-N 0 0 344.465 4.067 50 0 EIAARN CCn1c(C)nc2cc(-c3nnc4n3-c3ccccc3SC4)ccc21 ZINC000002638048 564151597 /nfs/dbraw/zinc/15/15/97/564151597.db2.gz QYAMSSWSSQPGGM-UHFFFAOYSA-N 0 0 347.447 4.218 50 0 EIAARN COc1ccc(CCNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002644834 564151771 /nfs/dbraw/zinc/15/17/71/564151771.db2.gz YPAUGRCCCAXNMB-LJQANCHMSA-N 0 0 345.870 4.447 50 0 EIAARN Cc1ccc(S[C@H](C)C(=O)N2CCc3ccccc3C2)cc1C ZINC000002662330 564152082 /nfs/dbraw/zinc/15/20/82/564152082.db2.gz RVJRRWOQPIWJDC-MRXNPFEDSA-N 0 0 325.477 4.369 50 0 EIAARN Cc1ccccc1Cn1cc(NC(=O)c2ccc(Cl)cc2)cn1 ZINC000002767803 564152534 /nfs/dbraw/zinc/15/25/34/564152534.db2.gz KZCYEBAOIGXCEI-UHFFFAOYSA-N 0 0 325.799 4.146 50 0 EIAARN Cc1c(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cnn1C ZINC000002782714 564152608 /nfs/dbraw/zinc/15/26/08/564152608.db2.gz ORVHSIFXRLUOQU-UHFFFAOYSA-N 0 0 346.430 4.358 50 0 EIAARN Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)cc1 ZINC000002787573 564152668 /nfs/dbraw/zinc/15/26/68/564152668.db2.gz IMNKDLVYGYYZPC-UHFFFAOYSA-N 0 0 341.798 4.134 50 0 EIAARN Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000002887810 564152937 /nfs/dbraw/zinc/15/29/37/564152937.db2.gz VUYOICDEYQPCMN-UHFFFAOYSA-N 0 0 337.448 4.093 50 0 EIAARN CC[C@@H](C)NC(=O)CCn1c(C)c(C(C)=O)cc1-c1ccc(F)cc1 ZINC000002929825 564153127 /nfs/dbraw/zinc/15/31/27/564153127.db2.gz NXLUEWKNQVAFJN-CYBMUJFWSA-N 0 0 344.430 4.110 50 0 EIAARN Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C)c1 ZINC000029267363 564153239 /nfs/dbraw/zinc/15/32/39/564153239.db2.gz GKYBDYDFHOGGAD-UHFFFAOYSA-N 0 0 333.435 4.200 50 0 EIAARN Cc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412350 564154052 /nfs/dbraw/zinc/15/40/52/564154052.db2.gz XHWVAGHCPGSSOI-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN O=C(NCCCc1ccccc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057413472 564154164 /nfs/dbraw/zinc/15/41/64/564154164.db2.gz JAONTODLPOELBA-UHFFFAOYSA-N 0 0 339.826 4.093 50 0 EIAARN CC(C)[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 ZINC000057452438 564154326 /nfs/dbraw/zinc/15/43/26/564154326.db2.gz XBPBNVRLQHBGRH-VQTJNVASSA-N 0 0 340.442 4.132 50 0 EIAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CC1 ZINC000003017777 564154378 /nfs/dbraw/zinc/15/43/78/564154378.db2.gz CWALFHQSHZVVKH-UHFFFAOYSA-N 0 0 327.236 4.389 50 0 EIAARN COCCN(C(=S)Nc1c(C)cccc1C)[C@@H](C)c1cccnc1 ZINC000003036937 564154569 /nfs/dbraw/zinc/15/45/69/564154569.db2.gz OPACOYYWGYTZSP-INIZCTEOSA-N 0 0 343.496 4.105 50 0 EIAARN COc1ccc(NC(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1OC ZINC000003096368 564155120 /nfs/dbraw/zinc/15/51/20/564155120.db2.gz GCVKTEFZRXHZMQ-LBPRGKRZSA-N 0 0 344.386 4.216 50 0 EIAARN O=C(Cc1ccc(Cl)c(Cl)c1)NCCSc1ccccc1 ZINC000003105120 564155183 /nfs/dbraw/zinc/15/51/83/564155183.db2.gz UEHOBRAYORVEAW-UHFFFAOYSA-N 0 0 340.275 4.444 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1nc2c(s1)CCCC2 ZINC000003115823 564155211 /nfs/dbraw/zinc/15/52/11/564155211.db2.gz MJSOSTXVSAGGKJ-UHFFFAOYSA-N 0 0 338.432 4.193 50 0 EIAARN COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1O ZINC000003254171 564156610 /nfs/dbraw/zinc/15/66/10/564156610.db2.gz USQWXRQKGXNBTN-FQEVSTJZSA-N 0 0 343.386 4.390 50 0 EIAARN C[C@H]1CCC[C@H](C)N1NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000003256622 564156659 /nfs/dbraw/zinc/15/66/59/564156659.db2.gz GXSXNTZRFALJLS-QWRGUYRKSA-N 0 0 345.484 4.466 50 0 EIAARN CC(C)CN(C)c1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000058011014 564157159 /nfs/dbraw/zinc/15/71/59/564157159.db2.gz LJEGQGCUMBTODI-IBGZPJMESA-N 0 0 338.451 4.032 50 0 EIAARN C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)c1ccc(F)cc1 ZINC000058014356 564157218 /nfs/dbraw/zinc/15/72/18/564157218.db2.gz LGMVSPJKOVBGMJ-CYBMUJFWSA-N 0 0 330.428 4.310 50 0 EIAARN O=C(NCc1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC000003351736 564157589 /nfs/dbraw/zinc/15/75/89/564157589.db2.gz ATLQBARUTPQUGB-UHFFFAOYSA-N 0 0 329.705 4.169 50 0 EIAARN CCOc1ccccc1OCCCC(=O)Nc1ccc(F)cc1F ZINC000003360988 564157681 /nfs/dbraw/zinc/15/76/81/564157681.db2.gz WFUZTGBKXXVINA-UHFFFAOYSA-N 0 0 335.350 4.161 50 0 EIAARN COC(=O)c1ccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3OCC[C@H]32)cc1 ZINC000030780975 564157751 /nfs/dbraw/zinc/15/77/51/564157751.db2.gz BHAOHKJJOZNNRA-DBVUQKKJSA-N 0 0 337.419 4.334 50 0 EIAARN Cc1noc2ncc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)cc12 ZINC000030923724 564158132 /nfs/dbraw/zinc/15/81/32/564158132.db2.gz HTNUTHCOVAOPIJ-SECBINFHSA-N 0 0 349.312 4.041 50 0 EIAARN Cc1noc2ncc(C(=O)N3CCC(CCc4ccccc4)CC3)cc12 ZINC000030974780 564158265 /nfs/dbraw/zinc/15/82/65/564158265.db2.gz KEXVLKQJEJQRPN-UHFFFAOYSA-N 0 0 349.434 4.016 50 0 EIAARN Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000003494293 564158437 /nfs/dbraw/zinc/15/84/37/564158437.db2.gz HFDNIONJDVAWRG-HNNXBMFYSA-N 0 0 331.843 4.165 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)OCCOc1cccc(C)c1 ZINC000003497239 564158493 /nfs/dbraw/zinc/15/84/93/564158493.db2.gz SAMHYHOPAYQFKM-UHFFFAOYSA-N 0 0 337.375 4.194 50 0 EIAARN CCn1c(S[C@@H](C)C(=O)c2ccccc2)nnc1-c1ccccc1 ZINC000003501353 564158523 /nfs/dbraw/zinc/15/85/23/564158523.db2.gz VLDUWWDYZRRTAS-AWEZNQCLSA-N 0 0 337.448 4.329 50 0 EIAARN C[C@H](Sc1nncn1-c1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000003504363 564158532 /nfs/dbraw/zinc/15/85/32/564158532.db2.gz XKQCWDJIBINVIE-LBPRGKRZSA-N 0 0 343.839 4.284 50 0 EIAARN C[C@@H](Sc1nncn1-c1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000003504365 564158557 /nfs/dbraw/zinc/15/85/57/564158557.db2.gz XKQCWDJIBINVIE-GFCCVEGCSA-N 0 0 343.839 4.284 50 0 EIAARN COc1ccc(COC(=O)c2cc(C)nc3ccccc32)cc1F ZINC000003516519 564158632 /nfs/dbraw/zinc/15/86/32/564158632.db2.gz BLCIAHZJEPFNSJ-UHFFFAOYSA-N 0 0 325.339 4.048 50 0 EIAARN Cc1ccc(NC(=O)COc2ccccc2Cl)c2cccnc12 ZINC000031082661 564158728 /nfs/dbraw/zinc/15/87/28/564158728.db2.gz DAKWQEHGJSPBKD-UHFFFAOYSA-N 0 0 326.783 4.214 50 0 EIAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2C)c1 ZINC000003527619 564158746 /nfs/dbraw/zinc/15/87/46/564158746.db2.gz GNUPOWFUQFKPCX-UHFFFAOYSA-N 0 0 337.448 4.074 50 0 EIAARN O=C1CN(Cc2ccc(-c3ccccc3)cc2)[C@H](c2ccccc2F)N1 ZINC000058380378 564158921 /nfs/dbraw/zinc/15/89/21/564158921.db2.gz QNUYGCDGDNDQBP-JOCHJYFZSA-N 0 0 346.405 4.123 50 0 EIAARN O=C1CN(Cc2ccc(-c3ccccc3)cc2)[C@@H](c2ccccc2F)N1 ZINC000058380375 564158922 /nfs/dbraw/zinc/15/89/22/564158922.db2.gz QNUYGCDGDNDQBP-QFIPXVFZSA-N 0 0 346.405 4.123 50 0 EIAARN C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000031182702 564159115 /nfs/dbraw/zinc/15/91/15/564159115.db2.gz KHNHTFMVZRQCPT-KWQFWETISA-N 0 0 326.343 4.423 50 0 EIAARN O=C(c1ccnc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031394102 564159355 /nfs/dbraw/zinc/15/93/55/564159355.db2.gz LKHAGAGIKJRLAH-ZDUSSCGKSA-N 0 0 343.839 4.322 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H]1C ZINC000031488135 564159468 /nfs/dbraw/zinc/15/94/68/564159468.db2.gz VZBXUNRMKSPVAT-IIDMSEBBSA-N 0 0 342.508 4.217 50 0 EIAARN Cc1ccccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000031663200 564159643 /nfs/dbraw/zinc/15/96/43/564159643.db2.gz QDMOJQGQUPLCKF-UHFFFAOYSA-N 0 0 339.370 4.146 50 0 EIAARN CC[C@H](NC(=O)c1ccc(COC)cc1)c1ccccc1OC(F)F ZINC000031756081 564159813 /nfs/dbraw/zinc/15/98/13/564159813.db2.gz RAHWQBUOFFPLRD-INIZCTEOSA-N 0 0 349.377 4.316 50 0 EIAARN Cc1cccc(OCC(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1C ZINC000031802670 564159887 /nfs/dbraw/zinc/15/98/87/564159887.db2.gz MXVRLSIQGAHUQA-UHFFFAOYSA-N 0 0 347.418 4.086 50 0 EIAARN CC(C)c1nnc2sc(-c3cc(-c4cccc(Cl)c4)[nH]n3)nn21 ZINC000031809708 564159969 /nfs/dbraw/zinc/15/99/69/564159969.db2.gz WDGVVUPCMPOZAS-UHFFFAOYSA-N 0 0 344.831 4.020 50 0 EIAARN O=C(Nc1cccc(O)c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000031820933 564159996 /nfs/dbraw/zinc/15/99/96/564159996.db2.gz QDHQDTVIBHBJAT-UHFFFAOYSA-N 0 0 341.370 4.255 50 0 EIAARN Cc1ccc([C@@H](NC(=O)CSc2ccc(F)cc2)C2CC2)cc1 ZINC000031957645 564160300 /nfs/dbraw/zinc/16/03/00/564160300.db2.gz SGCTXIXPEOPRSJ-LJQANCHMSA-N 0 0 329.440 4.494 50 0 EIAARN COc1ccccc1CC(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC000031968206 564160328 /nfs/dbraw/zinc/16/03/28/564160328.db2.gz DIQGOSFGYHRWPG-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)o1 ZINC000229275886 564160488 /nfs/dbraw/zinc/16/04/88/564160488.db2.gz HHEUMLCXUGWBLW-IIAWOOMASA-N 0 0 344.480 4.198 50 0 EIAARN CC(=O)c1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 ZINC000032070184 564160604 /nfs/dbraw/zinc/16/06/04/564160604.db2.gz WGXWHDNWMIZLLB-UHFFFAOYSA-N 0 0 326.783 4.136 50 0 EIAARN COc1ccc(CCC(=O)N(Cc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000032089659 564160651 /nfs/dbraw/zinc/16/06/51/564160651.db2.gz AKMVHKJEDINBQF-UHFFFAOYSA-N 0 0 348.446 4.300 50 0 EIAARN O=C(c1cc[nH]c(=O)c1)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000357160010 564160817 /nfs/dbraw/zinc/16/08/17/564160817.db2.gz SJEWAPKNRCGCAZ-MRXNPFEDSA-N 0 0 344.842 4.068 50 0 EIAARN O=C(N[C@@H](c1cccs1)C1CCCC1)c1cccc2c[nH]nc21 ZINC000032397650 564161341 /nfs/dbraw/zinc/16/13/41/564161341.db2.gz OEBCHWHUTOYRPE-QGZVFWFLSA-N 0 0 325.437 4.286 50 0 EIAARN Cc1nn(C)c2c1nc(C(C)C)nc2Nc1cccc2ncccc21 ZINC000032501985 564161539 /nfs/dbraw/zinc/16/15/39/564161539.db2.gz QIQGSCRCHXDXFQ-UHFFFAOYSA-N 0 0 332.411 4.087 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)NCCC2=CCCCC2)cc1 ZINC000007980277 564161723 /nfs/dbraw/zinc/16/17/23/564161723.db2.gz NPLOYRHDVBOEGX-UHFFFAOYSA-N 0 0 329.440 4.055 50 0 EIAARN CCCc1nnc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)s1 ZINC000007987595 564161899 /nfs/dbraw/zinc/16/18/99/564161899.db2.gz NTVMEZHGINHQRO-UHFFFAOYSA-N 0 0 335.860 4.204 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)C2(c3ccccc3)CC2)c1 ZINC000007988696 564161941 /nfs/dbraw/zinc/16/19/41/564161941.db2.gz MPOPDTVZHZMVGG-UHFFFAOYSA-N 0 0 325.408 4.154 50 0 EIAARN COc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 ZINC000007997222 564162064 /nfs/dbraw/zinc/16/20/64/564162064.db2.gz BVCRXINPAXUNDC-UHFFFAOYSA-N 0 0 344.461 4.370 50 0 EIAARN Cc1cc2cc(C[N@H+]3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)oc2cc1C ZINC000263464572 564162183 /nfs/dbraw/zinc/16/21/83/564162183.db2.gz CKIPSYKSFMODJM-JLSDUUJJSA-N 0 0 327.424 4.267 50 0 EIAARN O=C1COc2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc2N1 ZINC000008042164 564162372 /nfs/dbraw/zinc/16/23/72/564162372.db2.gz WMKAHNAINPNXEB-UHFFFAOYSA-N 0 0 341.367 4.024 50 0 EIAARN Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc2n1 ZINC000008073453 564162523 /nfs/dbraw/zinc/16/25/23/564162523.db2.gz PWQZJFBQQSIYJG-UHFFFAOYSA-N 0 0 328.415 4.473 50 0 EIAARN CCOc1ccc(C(=O)CCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000008082681 564162629 /nfs/dbraw/zinc/16/26/29/564162629.db2.gz OLFGHQKMZLXYDN-UHFFFAOYSA-N 0 0 341.407 4.004 50 0 EIAARN O=C1Cc2cc(-c3csc(-c4ccsc4)n3)cc3c2N1CCC3 ZINC000008102864 564162706 /nfs/dbraw/zinc/16/27/06/564162706.db2.gz RKHUMONZLFWYQL-UHFFFAOYSA-N 0 0 338.457 4.374 50 0 EIAARN CCn1c(=S)n(CN2CC=C(c3ccccc3)CC2)nc1C1CC1 ZINC000008105958 564162743 /nfs/dbraw/zinc/16/27/43/564162743.db2.gz URIUJCNGMRYLPD-UHFFFAOYSA-N 0 0 340.496 4.058 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)C3CCC3)cc2)cc1 ZINC000008156310 564163199 /nfs/dbraw/zinc/16/31/99/564163199.db2.gz OCMMLWLQVOEXCB-UHFFFAOYSA-N 0 0 338.407 4.076 50 0 EIAARN CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000008184033 564163372 /nfs/dbraw/zinc/16/33/72/564163372.db2.gz LQLCPKOLMCXJDW-OAHLLOKOSA-N 0 0 328.481 4.176 50 0 EIAARN Cc1ccc(C)c(-n2nnnc2SCc2ccc(Cl)cc2)c1 ZINC000008188672 564163429 /nfs/dbraw/zinc/16/34/29/564163429.db2.gz MQZFNQJIGSNLBB-UHFFFAOYSA-N 0 0 330.844 4.225 50 0 EIAARN CCOc1ccccc1NC(=O)c1ccc(Br)s1 ZINC000008189375 564163459 /nfs/dbraw/zinc/16/34/59/564163459.db2.gz VBXGKIYXOXRLDY-UHFFFAOYSA-N 0 0 326.215 4.162 50 0 EIAARN COc1ccc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000008241100 564163782 /nfs/dbraw/zinc/16/37/82/564163782.db2.gz SLXZLAMGOGQRNM-LBPRGKRZSA-N 0 0 327.355 4.000 50 0 EIAARN NC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 ZINC000008249399 564163785 /nfs/dbraw/zinc/16/37/85/564163785.db2.gz ORMROFGWORYBCF-UHFFFAOYSA-N 0 0 343.386 4.001 50 0 EIAARN O=C(Nc1cccc(SC(F)F)c1)c1cc2ccccc2c(=O)[nH]1 ZINC000066782650 564164065 /nfs/dbraw/zinc/16/40/65/564164065.db2.gz ZPLVVRSWFTWTKO-UHFFFAOYSA-N 0 0 346.358 4.095 50 0 EIAARN O=C(OCc1nc2ccccc2o1)C1(c2ccc(Cl)cc2)CC1 ZINC000008311923 564164168 /nfs/dbraw/zinc/16/41/68/564164168.db2.gz XMCLNUKEHJWADJ-UHFFFAOYSA-N 0 0 327.767 4.256 50 0 EIAARN COc1cc(NC(=O)CCCc2cccs2)c(OC)cc1Cl ZINC000008313542 564164209 /nfs/dbraw/zinc/16/42/09/564164209.db2.gz GSWVAAZWJLSFGF-UHFFFAOYSA-N 0 0 339.844 4.380 50 0 EIAARN O=C(CCc1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000008314988 564164225 /nfs/dbraw/zinc/16/42/25/564164225.db2.gz VTXTYDFVZUOECW-UHFFFAOYSA-N 0 0 349.459 4.069 50 0 biogenic EIAARN CN(Cc1ccccc1F)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000008340775 564164601 /nfs/dbraw/zinc/16/46/01/564164601.db2.gz DQUOIFMPKJHBFW-UHFFFAOYSA-N 0 0 327.330 4.497 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccnn1C1CCCC1 ZINC000008338192 564164605 /nfs/dbraw/zinc/16/46/05/564164605.db2.gz XKMIORHMGPULMB-UHFFFAOYSA-N 0 0 327.359 4.444 50 0 EIAARN CCCOc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000008343095 564164620 /nfs/dbraw/zinc/16/46/20/564164620.db2.gz KHUTVTWACUDMGB-QGZVFWFLSA-N 0 0 327.449 4.442 50 0 EIAARN COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccc3ccccc3c2)c1 ZINC000008356097 564164728 /nfs/dbraw/zinc/16/47/28/564164728.db2.gz JBOJBCXJMCZKMB-OAHLLOKOSA-N 0 0 349.430 4.277 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)c2cc(C)n(C)c2C)s1 ZINC000008390583 564164916 /nfs/dbraw/zinc/16/49/16/564164916.db2.gz DNRLKFCUJUCQDC-UHFFFAOYSA-N 0 0 345.493 4.184 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)OCc2nc3ccccc3s2)s1 ZINC000008408893 564165146 /nfs/dbraw/zinc/16/51/46/564165146.db2.gz INENRPHOOCTYOU-UHFFFAOYSA-N 0 0 345.445 4.373 50 0 EIAARN COc1ccc(-c2nnc([C@H](C)Sc3nc(C)cs3)o2)cc1 ZINC000008505559 564165487 /nfs/dbraw/zinc/16/54/87/564165487.db2.gz IEUMGMZQHBSYIT-JTQLQIEISA-N 0 0 333.438 4.363 50 0 EIAARN C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1cccc(Cl)c1 ZINC000008532153 564165571 /nfs/dbraw/zinc/16/55/71/564165571.db2.gz OTBGQMDBMGVHNO-NSHDSACASA-N 0 0 338.785 4.077 50 0 EIAARN Cc1nn([C@H](C)c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1Cl ZINC000008548550 564165650 /nfs/dbraw/zinc/16/56/50/564165650.db2.gz NFAHSAUGJFVJOJ-HDPALTEOSA-N 0 0 346.862 4.305 50 0 EIAARN Cc1[nH]c2ccccc2c(=O)c1SC(F)(F)[C@@H](F)C(F)(F)F ZINC000008578271 564165778 /nfs/dbraw/zinc/16/57/78/564165778.db2.gz YPVDGOLAQRWMKP-NSHDSACASA-N 0 0 341.276 4.422 50 0 EIAARN Cc1ccc(C)c(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000008583015 564165829 /nfs/dbraw/zinc/16/58/29/564165829.db2.gz JBUHXBNLRQMCNV-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN Cc1cc(NC(=O)[C@@H](Nc2ccc(Cl)cc2)c2ccccc2)no1 ZINC000008727311 564167020 /nfs/dbraw/zinc/16/70/20/564167020.db2.gz FYSAYDIXUUDEPV-KRWDZBQOSA-N 0 0 341.798 4.428 50 0 EIAARN Cc1ccc(CSc2nc(CC(=O)NC3CCCC3)cs2)cc1 ZINC000008936173 564168032 /nfs/dbraw/zinc/16/80/32/564168032.db2.gz KUFVNGJIIMNZJA-UHFFFAOYSA-N 0 0 346.521 4.345 50 0 EIAARN COc1ccc(C2=CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000040119716 564168218 /nfs/dbraw/zinc/16/82/18/564168218.db2.gz NCPOXJYZWHLJLL-UHFFFAOYSA-N 0 0 344.414 4.173 50 0 EIAARN COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1OC(F)F ZINC000040120454 564168222 /nfs/dbraw/zinc/16/82/22/564168222.db2.gz ZGBKBPVTYGYBLY-HNNXBMFYSA-N 0 0 347.361 4.056 50 0 EIAARN CCOC(=O)Nc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1C ZINC000069183395 564168564 /nfs/dbraw/zinc/16/85/64/564168564.db2.gz CKDKLFDABXGTQK-CQSZACIVSA-N 0 0 331.416 4.041 50 0 EIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)CCc1ccccc1F ZINC000245180675 564168664 /nfs/dbraw/zinc/16/86/64/564168664.db2.gz ZFZIGYFEWOFYLH-CQSZACIVSA-N 0 0 325.383 4.252 50 0 EIAARN CCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000009107356 564168931 /nfs/dbraw/zinc/16/89/31/564168931.db2.gz UIVGYMBBFQMMPY-UHFFFAOYSA-N 0 0 336.435 4.295 50 0 EIAARN CCn1c2ccccc2nc1S[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245284506 564168952 /nfs/dbraw/zinc/16/89/52/564168952.db2.gz SICXNSGIJAQIBB-RBSFLKMASA-N 0 0 345.512 4.326 50 0 EIAARN Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H]2C[C@H]2c2ccco2)c1 ZINC000069415473 564169236 /nfs/dbraw/zinc/16/92/36/564169236.db2.gz UOPURNNMQRNHLG-WOJBJXKFSA-N 0 0 346.430 4.316 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1ccc(Cl)cc1 ZINC000069417544 564169316 /nfs/dbraw/zinc/16/93/16/564169316.db2.gz BREOACJJBMWCNS-UHFFFAOYSA-N 0 0 347.823 4.277 50 0 EIAARN Cc1cc(C)cc(C[S@@](=O)Cc2coc(-c3ccccc3)n2)c1 ZINC000069442141 564169547 /nfs/dbraw/zinc/16/95/47/564169547.db2.gz NKOLYFILYQPOON-QHCPKHFHSA-N 0 0 325.433 4.407 50 0 EIAARN Cc1cc(C)cc(C[S@](=O)Cc2coc(-c3ccccc3)n2)c1 ZINC000069442146 564169555 /nfs/dbraw/zinc/16/95/55/564169555.db2.gz NKOLYFILYQPOON-HSZRJFAPSA-N 0 0 325.433 4.407 50 0 EIAARN CC(C)c1nnc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)o1 ZINC000069445082 564169578 /nfs/dbraw/zinc/16/95/78/564169578.db2.gz LEHJWRKQYPNMKR-UHFFFAOYSA-N 0 0 342.346 4.380 50 0 EIAARN COc1cccc(C[S@@](=O)Cc2nc(-c3ccccc3)oc2C)c1 ZINC000069491123 564169925 /nfs/dbraw/zinc/16/99/25/564169925.db2.gz YNQHQZLPFNMXPY-DEOSSOPVSA-N 0 0 341.432 4.108 50 0 EIAARN Cc1nnc(-c2ccccc2NC(=O)Cc2c[nH]c3cc(C)ccc23)o1 ZINC000069533246 564170298 /nfs/dbraw/zinc/17/02/98/564170298.db2.gz KNDUWQDWSKCZMY-UHFFFAOYSA-N 0 0 346.390 4.016 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000009137775 564170400 /nfs/dbraw/zinc/17/04/00/564170400.db2.gz LFPDWENQGOCSFB-UHFFFAOYSA-N 0 0 336.435 4.183 50 0 EIAARN CCCCN1c2ccc(NC(=O)c3cccc(C)c3)cc2CCC1=O ZINC000009137291 564170409 /nfs/dbraw/zinc/17/04/09/564170409.db2.gz AKNZNRILGXLZLN-UHFFFAOYSA-N 0 0 336.435 4.327 50 0 EIAARN O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc2ccccc2n1 ZINC000069583364 564170660 /nfs/dbraw/zinc/17/06/60/564170660.db2.gz CWGAGVKOVDBMKP-UHFFFAOYSA-N 0 0 347.418 4.078 50 0 EIAARN C[C@H](NC(=O)c1c(F)cccc1Cl)c1nc2c(s1)CCCC2 ZINC000069618655 564170929 /nfs/dbraw/zinc/17/09/29/564170929.db2.gz SMFOWRAJCGDZRH-VIFPVBQESA-N 0 0 338.835 4.305 50 0 EIAARN CC(=O)Nc1ccc(C)cc1OCc1nc(-c2ccco2)oc1C ZINC000069623684 564170985 /nfs/dbraw/zinc/17/09/85/564170985.db2.gz UMKFALCWIDXQEB-UHFFFAOYSA-N 0 0 326.352 4.089 50 0 EIAARN Cc1csc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)cc2C)n1 ZINC000069652752 564171152 /nfs/dbraw/zinc/17/11/52/564171152.db2.gz KIZYRPKVODMGQC-CYBMUJFWSA-N 0 0 333.457 4.430 50 0 EIAARN CSc1nnc(CNC2(c3ccc(Cl)cc3)CCC2)s1 ZINC000069658425 564171284 /nfs/dbraw/zinc/17/12/84/564171284.db2.gz ACOLSAWPYLHNEZ-UHFFFAOYSA-N 0 0 325.890 4.082 50 0 EIAARN O=[S@](Cc1csc(Cc2ccccc2)n1)Cc1ccc(F)cc1 ZINC000069739008 564171868 /nfs/dbraw/zinc/17/18/68/564171868.db2.gz ZJYYERPTBYHNEY-HSZRJFAPSA-N 0 0 345.464 4.322 50 0 EIAARN CC[C@@H](CC(=O)N1CCC(Nc2cccnc2)CC1)c1ccccc1 ZINC000069773449 564172111 /nfs/dbraw/zinc/17/21/11/564172111.db2.gz JZAMKFLFXWMKPW-KRWDZBQOSA-N 0 0 337.467 4.068 50 0 EIAARN Cn1cnc(-c2ccc(F)cc2)c1NC(=O)c1cccc2cccnc21 ZINC000069950300 564172862 /nfs/dbraw/zinc/17/28/62/564172862.db2.gz XVFNMYIJIBJYIW-UHFFFAOYSA-N 0 0 346.365 4.027 50 0 EIAARN Cc1c(Cl)ccc(S(=O)(=O)N2CCc3ccccc32)c1Cl ZINC000041095038 564173125 /nfs/dbraw/zinc/17/31/25/564173125.db2.gz QQHFOSQOPGJPGW-UHFFFAOYSA-N 0 0 342.247 4.053 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCC(Cc2ccccc2)CC1 ZINC000070010747 564173263 /nfs/dbraw/zinc/17/32/63/564173263.db2.gz QBFZDGJNRHJGHZ-WOJBJXKFSA-N 0 0 337.438 4.411 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3C(C)C)cc12 ZINC000070037845 564173443 /nfs/dbraw/zinc/17/34/43/564173443.db2.gz LZRFHGMQPWFNLR-OAHLLOKOSA-N 0 0 333.501 4.323 50 0 EIAARN CCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1 ZINC000041249338 564173640 /nfs/dbraw/zinc/17/36/40/564173640.db2.gz LEXVWMDTJFUJFQ-UHFFFAOYSA-N 0 0 327.767 4.462 50 0 EIAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2)o1 ZINC000071279294 564174793 /nfs/dbraw/zinc/17/47/93/564174793.db2.gz QPMJPOXPGDBRAY-ZDUSSCGKSA-N 0 0 337.379 4.141 50 0 EIAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000071279861 564174825 /nfs/dbraw/zinc/17/48/25/564174825.db2.gz BGLSPYARUNTFPW-CYBMUJFWSA-N 0 0 331.441 4.257 50 0 EIAARN C[C@@H](Cc1ccco1)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000042381865 564174964 /nfs/dbraw/zinc/17/49/64/564174964.db2.gz DGXYWIMTAXDONA-AWEZNQCLSA-N 0 0 333.387 4.265 50 0 EIAARN CC(C)=CC(=O)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000071749402 564175204 /nfs/dbraw/zinc/17/52/04/564175204.db2.gz RGQJVIHEBYUXCR-UHFFFAOYSA-N 0 0 331.419 4.081 50 0 EIAARN Cn1cc([C@@H]2CCCN2Cc2coc(-c3ccccc3Cl)n2)cn1 ZINC000071797107 564175431 /nfs/dbraw/zinc/17/54/31/564175431.db2.gz LOHOXHVUWRQTMA-KRWDZBQOSA-N 0 0 342.830 4.066 50 0 EIAARN Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cs2)o1 ZINC000071843908 564175892 /nfs/dbraw/zinc/17/58/92/564175892.db2.gz FQJADZHOEKPQRK-JTQLQIEISA-N 0 0 344.358 4.126 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)NC2(c3noc(C)n3)CCCCCC2)C1(C)C ZINC000071843935 564175893 /nfs/dbraw/zinc/17/58/93/564175893.db2.gz SIWFRZQWKUWBDM-HOTGVXAUSA-N 0 0 345.487 4.282 50 0 EIAARN CCn1ncc(C(=O)N[C@@H](C)c2cc(C)sc2C)c1C(F)(F)F ZINC000071851075 564176047 /nfs/dbraw/zinc/17/60/47/564176047.db2.gz JLYFAYWPRCFGIX-VIFPVBQESA-N 0 0 345.390 4.091 50 0 EIAARN CC[C@@H](NC(=O)N[C@H]1CCCOc2ccccc21)c1nc(C)cs1 ZINC000071856671 564176048 /nfs/dbraw/zinc/17/60/48/564176048.db2.gz QWGLOHPAEDVGCE-CABCVRRESA-N 0 0 345.468 4.116 50 0 EIAARN CC(C)c1nnc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)o1 ZINC000071867500 564176149 /nfs/dbraw/zinc/17/61/49/564176149.db2.gz KZGFNPMIHONIBK-UHFFFAOYSA-N 0 0 339.361 4.376 50 0 EIAARN O=C(NCC[C@@H](O)c1cccc2ccccc21)c1cccc(Cl)c1 ZINC000077116553 564176602 /nfs/dbraw/zinc/17/66/02/564176602.db2.gz OTIQVKWAFYNRBN-LJQANCHMSA-N 0 0 339.822 4.347 50 0 EIAARN O=C(NCC[C@@H](O)c1cccs1)Nc1cccc(C(F)(F)F)c1 ZINC000077116115 564176611 /nfs/dbraw/zinc/17/66/11/564176611.db2.gz FMUKOOZRMRBXCH-GFCCVEGCSA-N 0 0 344.358 4.012 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)NCC[C@@H](O)c2cccs2)cc1 ZINC000077116063 564176629 /nfs/dbraw/zinc/17/66/29/564176629.db2.gz XLUGFHAGWJCYGJ-OAHLLOKOSA-N 0 0 332.469 4.291 50 0 EIAARN CC(C)(C)c1ccccc1NC(=O)N[C@H](CCO)c1ccccc1 ZINC000077660021 564176785 /nfs/dbraw/zinc/17/67/85/564176785.db2.gz VWILNDQKYMODAI-QGZVFWFLSA-N 0 0 326.440 4.229 50 0 EIAARN C[C@@H](C(=O)Nc1ccc(Sc2nncs2)cc1)c1cccs1 ZINC000078080947 564176925 /nfs/dbraw/zinc/17/69/25/564176925.db2.gz QYFJBWJOMAQZQS-SNVBAGLBSA-N 0 0 347.490 4.493 50 0 EIAARN Cc1nc(C(F)(F)F)c(CSC(=S)N2CCCC2)s1 ZINC000183843776 564177627 /nfs/dbraw/zinc/17/76/27/564177627.db2.gz MHINDGCJFSKILJ-UHFFFAOYSA-N 0 0 326.434 4.084 50 0 EIAARN O=C(N[C@H](Sc1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000000389971 568414596 /nfs/dbraw/zinc/41/45/96/568414596.db2.gz PLGKXEPYTSSYAC-OAQYLSRUSA-N 0 0 347.439 4.418 50 0 EIAARN Cc1nc(-c2cccc(C(=O)N3CCCc4occc4C3)c2)cs1 ZINC000342635460 1032299901 /nfs/dbraw/zinc/29/99/01/1032299901.db2.gz RJJCRGCFYSMNMY-UHFFFAOYSA-N 0 0 338.432 4.300 50 0 EIAARN COC(=O)[C@]12N=NC(c3ccccc3)(c3ccccc3)[C@@]1(C)C2(C)C ZINC000022014328 1020869362 /nfs/dbraw/zinc/86/93/62/1020869362.db2.gz BNLSWDBNYNFCTH-TZIWHRDSSA-N 0 0 334.419 4.354 50 0 EIAARN c1[nH]nc2cc(CNCc3csc(CCc4ccccc4)n3)ccc12 ZINC000236757793 1022362255 /nfs/dbraw/zinc/36/22/55/1022362255.db2.gz OOXAGUJHZUOPCI-UHFFFAOYSA-N 0 0 348.475 4.094 50 0 EIAARN C[C@H](C1CC1)n1cc(NC(=O)CCCc2c[nH]c3ccccc23)cn1 ZINC000186339694 1022573703 /nfs/dbraw/zinc/57/37/03/1022573703.db2.gz UGTSLJLESIJSRQ-CQSZACIVSA-N 0 0 336.439 4.297 50 0 EIAARN CCOc1ccccc1/C=C/C(=O)Nc1cc(OC)c(OC)cc1C ZINC000014139654 1022722978 /nfs/dbraw/zinc/72/29/78/1022722978.db2.gz CCWGGJLKHBYVEK-ZHACJKMWSA-N 0 0 341.407 4.063 50 0 EIAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cc2c(cc1Cl)OCO2 ZINC000014198691 1022828413 /nfs/dbraw/zinc/82/84/13/1022828413.db2.gz AYOVHCPDKCFZSH-ZZXKWVIFSA-N 0 0 336.174 4.374 50 0 EIAARN CCOc1cccc2[nH]cc(CC(=O)N(Cc3ccccc3)C3CC3)c21 ZINC000188102722 1023239635 /nfs/dbraw/zinc/23/96/35/1023239635.db2.gz WUNZOVYINIUJJM-UHFFFAOYSA-N 0 0 348.446 4.300 50 0 EIAARN O=C(NCC(c1ccco1)c1ccco1)Nc1c(F)cccc1F ZINC000675007647 1023309408 /nfs/dbraw/zinc/30/94/08/1023309408.db2.gz 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337.231 4.288 50 0 EIAARN Cc1cc2s/c(=N/C(=O)c3ccc(Cl)s3)n(C)c2c(C)c1 ZINC000100819158 219108177 /nfs/dbraw/zinc/10/81/77/219108177.db2.gz SBJWMKOALINVEN-BMRADRMJSA-N 0 0 336.869 4.313 50 0 EIAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1C ZINC000064580991 214794194 /nfs/dbraw/zinc/79/41/94/214794194.db2.gz OMQFZVDIZHWWNY-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN C[C@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000064580999 214794403 /nfs/dbraw/zinc/79/44/03/214794403.db2.gz INZNTPCFHWRIKV-CQSZACIVSA-N 0 0 339.826 4.059 50 0 EIAARN Cc1ccc(-c2noc(CC(=O)N[C@H](C)c3ccc(C)cc3C)n2)cc1 ZINC000064612449 214795496 /nfs/dbraw/zinc/79/54/96/214795496.db2.gz QDGHVPDPYDWEFY-MRXNPFEDSA-N 0 0 349.434 4.082 50 0 EIAARN CC(C)n1nnc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000064818487 214806506 /nfs/dbraw/zinc/80/65/06/214806506.db2.gz UGNJEKIDNIWTCM-UHFFFAOYSA-N 0 0 332.766 4.057 50 0 EIAARN O=C(NCc1ccccc1Cl)c1cnc(Cl)cc1C(F)(F)F ZINC000004382931 210183992 /nfs/dbraw/zinc/18/39/92/210183992.db2.gz TZPKFJPBVFTVBI-UHFFFAOYSA-N 0 0 349.139 4.337 50 0 EIAARN CCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000004370859 210182140 /nfs/dbraw/zinc/18/21/40/210182140.db2.gz LCWNXHLYUNJFIP-ZDUSSCGKSA-N 0 0 341.842 4.325 50 0 EIAARN CC1(C)N=C(SCC(=O)Nc2ccccc2F)c2ccccc2N1 ZINC000004372206 210181864 /nfs/dbraw/zinc/18/18/64/210181864.db2.gz DLAJMIZOJQSCHY-UHFFFAOYSA-N 0 0 343.427 4.106 50 0 EIAARN Cc1nnc(SCc2cc(F)ccc2F)n1-c1ccc(C)cc1 ZINC000004356190 210179238 /nfs/dbraw/zinc/17/92/38/210179238.db2.gz QWJGEYYCNWKBGD-UHFFFAOYSA-N 0 0 331.391 4.455 50 0 EIAARN Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000004354897 210178985 /nfs/dbraw/zinc/17/89/85/210178985.db2.gz LVLTWXBDJJNVNL-UHFFFAOYSA-N 0 0 329.407 4.044 50 0 EIAARN CCC(=O)Nc1ccc(C2(C(=O)NCC(C)C)CCCCC2)cc1 ZINC000065027414 214822968 /nfs/dbraw/zinc/82/29/68/214822968.db2.gz UWRFRRBQYJVPDO-UHFFFAOYSA-N 0 0 330.472 4.009 50 0 EIAARN CCc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)cc2)cc1 ZINC000065084293 214826952 /nfs/dbraw/zinc/82/69/52/214826952.db2.gz CZMTYKHANHNZPS-UHFFFAOYSA-N 0 0 346.430 4.229 50 0 EIAARN Cc1ccccc1NC(=O)c1ccc2c(c1)nnn2Cc1ccccc1 ZINC000065030575 214824315 /nfs/dbraw/zinc/82/43/15/214824315.db2.gz MIJNDGSVHUQFEP-UHFFFAOYSA-N 0 0 342.402 4.040 50 0 EIAARN O=C(/C=C/c1cccs1)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000004330226 210173199 /nfs/dbraw/zinc/17/31/99/210173199.db2.gz UPDVNCQCFXWKTP-BQYQJAHWSA-N 0 0 331.784 4.103 50 0 EIAARN CCc1nnc(-c2cc(NC(=O)c3ccc(C)c(F)c3)c(C)s2)o1 ZINC000065149289 214832489 /nfs/dbraw/zinc/83/24/89/214832489.db2.gz GDEUKGLMUBYMLN-UHFFFAOYSA-N 0 0 345.399 4.369 50 0 EIAARN CCCCC(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000004328709 210171768 /nfs/dbraw/zinc/17/17/68/210171768.db2.gz LUVKAEUTVDVSMY-UHFFFAOYSA-N 0 0 325.434 4.098 50 0 EIAARN Cc1c(C)n(-c2ccccn2)c2ncn(C3CCCCCC3)c(=N)c12 ZINC000101404477 219126100 /nfs/dbraw/zinc/12/61/00/219126100.db2.gz ZQJHRZRIIKFILN-UHFFFAOYSA-N 0 0 335.455 4.214 50 0 EIAARN O=C(NCc1cccnc1-c1ccccc1)c1c(F)cccc1Cl ZINC000065171385 214838044 /nfs/dbraw/zinc/83/80/44/214838044.db2.gz WOLPSHSVJKFQDE-UHFFFAOYSA-N 0 0 340.785 4.471 50 0 EIAARN COC(=O)c1scc(C)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004324088 210170121 /nfs/dbraw/zinc/17/01/21/210170121.db2.gz CAHPVYRDUSYNPY-UHFFFAOYSA-N 0 0 343.326 4.114 50 0 EIAARN COc1ccc(NC(=O)c2sc(NC3CCCCC3)nc2C)cc1 ZINC000065184704 214840419 /nfs/dbraw/zinc/84/04/19/214840419.db2.gz JMENKKKTTYTSGC-UHFFFAOYSA-N 0 0 345.468 4.457 50 0 EIAARN Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1C ZINC000004314912 210168058 /nfs/dbraw/zinc/16/80/58/210168058.db2.gz OYTKJMCGULBSBG-UHFFFAOYSA-N 0 0 333.435 4.200 50 0 EIAARN Cc1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1Cl ZINC000004315967 210167966 /nfs/dbraw/zinc/16/79/66/210167966.db2.gz XWUSYXKRSVGXAX-UHFFFAOYSA-N 0 0 342.811 4.010 50 0 EIAARN CC(C)c1nnc(-c2sccc2NC(=O)c2ccc(F)cc2)o1 ZINC000065218702 214845393 /nfs/dbraw/zinc/84/53/93/214845393.db2.gz VGXYJVARMIBYGK-UHFFFAOYSA-N 0 0 331.372 4.313 50 0 EIAARN O=C(NCc1nn(Cc2ccccc2)c2ccccc12)c1cccs1 ZINC000065219967 214845395 /nfs/dbraw/zinc/84/53/95/214845395.db2.gz WVNNLCQNIDLTNM-UHFFFAOYSA-N 0 0 347.443 4.076 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)nnn1-c1cc(C)cc(C)c1 ZINC000004313383 210166912 /nfs/dbraw/zinc/16/69/12/210166912.db2.gz YNOXOSJCMIMDOU-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccsc1-c1nnc(C(C)C)o1 ZINC000065218767 214845531 /nfs/dbraw/zinc/84/55/31/214845531.db2.gz CVPASHZEGMQWAJ-UHFFFAOYSA-N 0 0 327.409 4.482 50 0 EIAARN Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000004305118 210165002 /nfs/dbraw/zinc/16/50/02/210165002.db2.gz VUKGXDXUOZUXQE-FQEVSTJZSA-N 0 0 346.430 4.122 50 0 EIAARN CSc1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000004303508 210165008 /nfs/dbraw/zinc/16/50/08/210165008.db2.gz CWWYNAQTLHRSPN-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN c1cn(CCCNc2ncnc3scc(-c4ccccc4)c32)cn1 ZINC000004299607 210163275 /nfs/dbraw/zinc/16/32/75/210163275.db2.gz SVJQOANWTBBFRN-UHFFFAOYSA-N 0 0 335.436 4.057 50 0 EIAARN C[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2cccnc2)C1 ZINC000101545528 219133981 /nfs/dbraw/zinc/13/39/81/219133981.db2.gz UNIZIMLURLYACS-BUXKBTBVSA-N 0 0 330.391 4.349 50 0 EIAARN COc1ccc2ccccc2c1[C@H]1CC(c2ccccc2)=NC(=S)N1 ZINC000004278879 210159986 /nfs/dbraw/zinc/15/99/86/210159986.db2.gz XUTZLJFTNJFRRR-GOSISDBHSA-N 0 0 346.455 4.408 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1 ZINC000004276174 210158398 /nfs/dbraw/zinc/15/83/98/210158398.db2.gz KDUQPXMXHNBKCG-UHFFFAOYSA-N 0 0 333.269 4.008 50 0 EIAARN Cc1ccccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2C)no1 ZINC000065320336 214870085 /nfs/dbraw/zinc/87/00/85/214870085.db2.gz GHMLTZHJPVUZDK-GOSISDBHSA-N 0 0 347.418 4.331 50 0 EIAARN CCCNC(=O)Nc1cccc(-c2noc(/C=C/c3ccco3)n2)c1 ZINC000065330137 214870944 /nfs/dbraw/zinc/87/09/44/214870944.db2.gz JNJCMVJETVHHSB-CMDGGOBGSA-N 0 0 338.367 4.032 50 0 EIAARN Fc1ccccc1SCCSc1nnc2[nH]c3ccccc3n21 ZINC000004268746 210156556 /nfs/dbraw/zinc/15/65/56/210156556.db2.gz LBKDTESFTKMKGV-UHFFFAOYSA-N 0 0 344.440 4.234 50 0 EIAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000048276737 213909031 /nfs/dbraw/zinc/90/90/31/213909031.db2.gz ZUZTWVBPWJQLPU-CYBMUJFWSA-N 0 0 343.477 4.485 50 0 EIAARN CCOc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1 ZINC000004263353 210154600 /nfs/dbraw/zinc/15/46/00/210154600.db2.gz OVUCZZYNAQJXNR-UHFFFAOYSA-N 0 0 328.389 4.006 50 0 EIAARN COC(=O)[C@H](c1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 ZINC000048249399 213903092 /nfs/dbraw/zinc/90/30/92/213903092.db2.gz MFSRWAFJAJFPNV-CVEARBPZSA-N 0 0 335.856 4.453 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1c2ccccc2C[C@H]1C ZINC000048250298 213902944 /nfs/dbraw/zinc/90/29/44/213902944.db2.gz HCIUJFNGDIUTBY-OAHLLOKOSA-N 0 0 345.446 4.009 50 0 EIAARN Cc1ccc(NCc2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1 ZINC000065385215 214883959 /nfs/dbraw/zinc/88/39/59/214883959.db2.gz OAOLNVMCTZLTEV-UHFFFAOYSA-N 0 0 344.405 4.478 50 0 EIAARN Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)cc1C ZINC000004224446 210146305 /nfs/dbraw/zinc/14/63/05/210146305.db2.gz ZLYGQOCQYFRALP-UHFFFAOYSA-N 0 0 329.469 4.221 50 0 EIAARN CCOC(=O)c1sc(NC(=O)CCSc2ccccc2)cc1C ZINC000004194700 210143775 /nfs/dbraw/zinc/14/37/75/210143775.db2.gz HXKPDVWMYXAKDV-UHFFFAOYSA-N 0 0 349.477 4.354 50 0 EIAARN Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2ccco2)n1 ZINC000065463398 214919427 /nfs/dbraw/zinc/91/94/27/214919427.db2.gz GPPKRFYCLVNMEN-UHFFFAOYSA-N 0 0 332.407 4.405 50 0 EIAARN O=C(NCCc1csc(-c2ccccc2)n1)c1c(F)cccc1F ZINC000004166965 210136446 /nfs/dbraw/zinc/13/64/46/210136446.db2.gz OIABQZYIVHFWLY-UHFFFAOYSA-N 0 0 344.386 4.061 50 0 EIAARN O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000004166961 210136458 /nfs/dbraw/zinc/13/64/58/210136458.db2.gz LQKTWPNYZAXPQJ-UHFFFAOYSA-N 0 0 342.851 4.436 50 0 EIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1cccc(C)c1 ZINC000004162651 210135027 /nfs/dbraw/zinc/13/50/27/210135027.db2.gz SQRDHYKGCUKSCE-UHFFFAOYSA-N 0 0 337.375 4.099 50 0 EIAARN Cc1ccc2cc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)[nH]c2c1 ZINC000065492147 214931827 /nfs/dbraw/zinc/93/18/27/214931827.db2.gz JMUXZJHDMUWLEU-NRFANRHFSA-N 0 0 341.414 4.391 50 0 EIAARN CCOc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cn2)cc1 ZINC000065567948 214964042 /nfs/dbraw/zinc/96/40/42/214964042.db2.gz UGMLBGUYTWSDPK-UHFFFAOYSA-N 0 0 348.402 4.165 50 0 EIAARN Cc1ccccc1CSC1=NCCN1C(=O)c1cccc(Cl)c1 ZINC000004120022 210124984 /nfs/dbraw/zinc/12/49/84/210124984.db2.gz MMZDSLWXSLRPLB-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1ccccc1 ZINC000004108875 210122255 /nfs/dbraw/zinc/12/22/55/210122255.db2.gz PZPGXXJHSVOAAO-UHFFFAOYSA-N 0 0 346.308 4.025 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(C(F)(F)F)c1 ZINC000004072400 210113394 /nfs/dbraw/zinc/11/33/94/210113394.db2.gz VZRSWXSTSYEMGN-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN CSc1ccccc1NC(=O)C(=O)c1c(C)n(C)c2ccccc21 ZINC000004062627 210111268 /nfs/dbraw/zinc/11/12/68/210111268.db2.gz OMHCWXSTFOZOMB-UHFFFAOYSA-N 0 0 338.432 4.030 50 0 EIAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1ccccc1 ZINC000004033219 210104146 /nfs/dbraw/zinc/10/41/46/210104146.db2.gz AFVDSIMRBKLUMA-UHFFFAOYSA-N 0 0 343.390 4.349 50 0 EIAARN CCCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004033490 210105058 /nfs/dbraw/zinc/10/50/58/210105058.db2.gz VVVLNOJEMQQTTN-SFHVURJKSA-N 0 0 347.462 4.353 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000004033290 210104733 /nfs/dbraw/zinc/10/47/33/210104733.db2.gz IAUVGDKPUHBXQI-INIZCTEOSA-N 0 0 333.435 4.194 50 0 EIAARN Cc1ccc(-c2c(=O)c(=O)c2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000101981868 219177742 /nfs/dbraw/zinc/17/77/42/219177742.db2.gz FFTZQLWRUURGJB-UHFFFAOYSA-N 0 0 331.293 4.020 50 0 EIAARN COc1ccc(C)cc1Nc1ncnc2ccc(Br)cc21 ZINC000003953646 210096053 /nfs/dbraw/zinc/09/60/53/210096053.db2.gz RYEWGJBCPHSBPW-UHFFFAOYSA-N 0 0 344.212 4.453 50 0 EIAARN CCCC(CCC)C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000003911900 210093153 /nfs/dbraw/zinc/09/31/53/210093153.db2.gz HNKYTWCWOSBBGC-UHFFFAOYSA-N 0 0 342.483 4.020 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000003906341 210089881 /nfs/dbraw/zinc/08/98/81/210089881.db2.gz DXLAAKZMINDHDN-UHFFFAOYSA-N 0 0 349.411 4.280 50 0 EIAARN COC(=O)CSc1ccc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003892647 210084832 /nfs/dbraw/zinc/08/48/32/210084832.db2.gz VFDMUPAQZNTOFY-UHFFFAOYSA-N 0 0 334.396 4.316 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2O ZINC000003881356 210083966 /nfs/dbraw/zinc/08/39/66/210083966.db2.gz QIOYEDVDPAWRGZ-RABCQHRBSA-N 0 0 332.484 4.053 50 0 biogenic EIAARN O=c1oc(-c2ccccc2)nc2c3cc(Br)ccc3oc21 ZINC000003646833 210070439 /nfs/dbraw/zinc/07/04/39/210070439.db2.gz DGZRFIKZLWVRSO-UHFFFAOYSA-N 0 0 342.148 4.364 50 0 biogenic EIAARN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1ccccc1 ZINC000066447514 215043541 /nfs/dbraw/zinc/04/35/41/215043541.db2.gz ABOUTEARRJHLNW-UHFFFAOYSA-N 0 0 341.414 4.015 50 0 EIAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl ZINC000003620158 210067357 /nfs/dbraw/zinc/06/73/57/210067357.db2.gz RNLJOUFALOEUQM-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN CCSc1nnc(NC(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000003612298 210065878 /nfs/dbraw/zinc/06/58/78/210065878.db2.gz MXAZTDWBGGGHOY-UHFFFAOYSA-N 0 0 337.401 4.096 50 0 EIAARN COc1ccc(NC(=O)CSc2ccc(C)cc2C)cc1OC ZINC000003605632 210063644 /nfs/dbraw/zinc/06/36/44/210063644.db2.gz IPLRGVNOJGNGPF-UHFFFAOYSA-N 0 0 331.437 4.051 50 0 EIAARN COc1cc2c(cc1NC(=O)CN1CCCCC1)oc1ccccc12 ZINC000003582664 210058741 /nfs/dbraw/zinc/05/87/41/210058741.db2.gz WXIZTDRODIKARG-UHFFFAOYSA-N 0 0 338.407 4.019 50 0 EIAARN Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003564292 210056020 /nfs/dbraw/zinc/05/60/20/210056020.db2.gz YYYHFBPUCWEBBZ-ZDUSSCGKSA-N 0 0 329.396 4.017 50 0 EIAARN COc1ccc(CCC(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000003558866 210055182 /nfs/dbraw/zinc/05/51/82/210055182.db2.gz DMFHBGQLIPDBML-UHFFFAOYSA-N 0 0 326.421 4.185 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000003559842 210054392 /nfs/dbraw/zinc/05/43/92/210054392.db2.gz KUTBJWFHQJYRME-UHFFFAOYSA-N 0 0 329.421 4.056 50 0 EIAARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccco3)C2)cc1 ZINC000102581938 219211545 /nfs/dbraw/zinc/21/15/45/219211545.db2.gz YCFGNBLDKQAEFH-LIRRHRJNSA-N 0 0 346.390 4.245 50 0 EIAARN O=C(CC[C@H]1CCCO1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000044911848 213672354 /nfs/dbraw/zinc/67/23/54/213672354.db2.gz QSEOCKROMSNGHM-GDBMZVCRSA-N 0 0 344.480 4.309 50 0 EIAARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000102605295 219214379 /nfs/dbraw/zinc/21/43/79/219214379.db2.gz UCKUUTXBBIIZEL-LIRRHRJNSA-N 0 0 346.390 4.245 50 0 EIAARN CCCOc1ccccc1NC(=O)COc1ccc(Cl)cc1C ZINC000003459064 210045604 /nfs/dbraw/zinc/04/56/04/210045604.db2.gz WEOCSPCAPUILOO-UHFFFAOYSA-N 0 0 333.815 4.455 50 0 EIAARN C[C@H]1CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccc3ncccc3c2)C1 ZINC000102602630 219213357 /nfs/dbraw/zinc/21/33/57/219213357.db2.gz XZKYGSHMXHSJRY-QGHHPUGFSA-N 0 0 347.378 4.099 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 ZINC000003440047 210040462 /nfs/dbraw/zinc/04/04/62/210040462.db2.gz HHGPLVYMNMZICG-UHFFFAOYSA-N 0 0 345.489 4.491 50 0 aggregator EIAARN Cc1cc(C)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1C ZINC000003439592 210039829 /nfs/dbraw/zinc/03/98/29/210039829.db2.gz NWWIDAXDPWOPNV-UHFFFAOYSA-N 0 0 349.430 4.452 50 0 EIAARN CCSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)CCCC1=N2 ZINC000102668861 219220070 /nfs/dbraw/zinc/22/00/70/219220070.db2.gz CJCXYXGASKZOPZ-HNNXBMFYSA-N 0 0 326.425 4.062 50 0 EIAARN O=C(OCc1cccc2ccccc21)c1nn(-c2ccccc2)cc1O ZINC000003425344 210035265 /nfs/dbraw/zinc/03/52/65/210035265.db2.gz DWGAYHAJJQLZFZ-UHFFFAOYSA-N 0 0 344.370 4.088 50 0 EIAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc2nccnc2c1 ZINC000003419193 210033993 /nfs/dbraw/zinc/03/39/93/210033993.db2.gz HWNCWUNSINKHHR-UHFFFAOYSA-N 0 0 339.398 4.473 50 0 EIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003414239 210032308 /nfs/dbraw/zinc/03/23/08/210032308.db2.gz ZMGWGCZRLILKDW-UHFFFAOYSA-N 0 0 349.761 4.184 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1c2ccccc2C[C@@H]1C ZINC000003408139 210030436 /nfs/dbraw/zinc/03/04/36/210030436.db2.gz QTRVUCMNVAUZIP-QWHCGFSZSA-N 0 0 344.842 4.127 50 0 EIAARN Cc1c2cc(Br)ccc2oc1C(=O)NCc1ccco1 ZINC000003378263 210022568 /nfs/dbraw/zinc/02/25/68/210022568.db2.gz DRXRCLHQSFRYQP-UHFFFAOYSA-N 0 0 334.169 4.027 50 0 EIAARN O=C(Cc1ccsc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000003367702 210020241 /nfs/dbraw/zinc/02/02/41/210020241.db2.gz WRBNULJPRATXJR-AWEZNQCLSA-N 0 0 328.462 4.264 50 0 EIAARN O=C(CSc1nncn1-c1ccccc1)c1ccc2ccccc2c1 ZINC000003374053 210021456 /nfs/dbraw/zinc/02/14/56/210021456.db2.gz VYCQGKAHJWFGJM-UHFFFAOYSA-N 0 0 345.427 4.396 50 0 EIAARN COc1cccc(NC(=O)[C@@H](NCc2ccccc2)c2ccccc2)c1 ZINC000003369175 210019611 /nfs/dbraw/zinc/01/96/11/210019611.db2.gz ROHSPNCTUSAAIJ-NRFANRHFSA-N 0 0 346.430 4.165 50 0 EIAARN Cc1ccccc1-c1nnc(SCC(=O)c2cc(F)ccc2F)o1 ZINC000003363150 210019045 /nfs/dbraw/zinc/01/90/45/210019045.db2.gz LDEKTMIYJXKALW-UHFFFAOYSA-N 0 0 346.358 4.298 50 0 EIAARN Cc1cc(C)c(NC(=O)COC(=O)c2c(F)cccc2Cl)c(C)c1 ZINC000003349620 210015725 /nfs/dbraw/zinc/01/57/25/210015725.db2.gz WMSDLJKPGAVWGT-UHFFFAOYSA-N 0 0 349.789 4.200 50 0 EIAARN Cc1ccccc1-c1csc2c1ncn(Cc1ccccc1)c2=O ZINC000044166960 213611234 /nfs/dbraw/zinc/61/12/34/213611234.db2.gz GCSSVMUJLMXXMK-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN Brc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1 ZINC000003331442 210009972 /nfs/dbraw/zinc/00/99/72/210009972.db2.gz SAGJEYRZFHOCRK-GFCCVEGCSA-N 0 0 339.258 4.164 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2N(C)C)cc1 ZINC000044082021 213608073 /nfs/dbraw/zinc/60/80/73/213608073.db2.gz DDDRHNJTPZOKSU-SFHVURJKSA-N 0 0 339.439 4.130 50 0 EIAARN CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2O1 ZINC000003332307 210009530 /nfs/dbraw/zinc/00/95/30/210009530.db2.gz LFQTVWNYALRXCM-UHFFFAOYSA-N 0 0 331.799 4.071 50 0 EIAARN Cc1cccc(OCCC(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000003330397 210009183 /nfs/dbraw/zinc/00/91/83/210009183.db2.gz FJHRBNCXNWCGIH-UHFFFAOYSA-N 0 0 338.234 4.387 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)c1cccc(Oc2ccccc2)c1 ZINC000003310997 210002897 /nfs/dbraw/zinc/00/28/97/210002897.db2.gz ZRJXTQUWBDBWHY-UHFFFAOYSA-N 0 0 337.404 4.460 50 0 EIAARN Cc1sc2ncnc(OCCOc3ccccc3Cl)c2c1C ZINC000003303494 210002575 /nfs/dbraw/zinc/00/25/75/210002575.db2.gz AHSOQUSHEJNASQ-UHFFFAOYSA-N 0 0 334.828 4.419 50 0 EIAARN CCCn1c(=O)c2ccccc2nc1SCc1ccc(F)c(F)c1 ZINC000067258678 215129057 /nfs/dbraw/zinc/12/90/57/215129057.db2.gz BAVZZWOKNQMKMX-UHFFFAOYSA-N 0 0 346.402 4.377 50 0 EIAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3nccs3)oc21 ZINC000067339985 215134674 /nfs/dbraw/zinc/13/46/74/215134674.db2.gz DLJMFLBTAYQDIE-NSCUHMNNSA-N 0 0 334.784 4.203 50 0 EIAARN CCO[C@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000067356686 215136020 /nfs/dbraw/zinc/13/60/20/215136020.db2.gz PMJHNPSRLNROBK-LBPRGKRZSA-N 0 0 330.400 4.034 50 0 EIAARN CCNc1ccc(C(=O)OCC)cc1NC(=O)Nc1ccc(F)cc1 ZINC000003254853 209990811 /nfs/dbraw/zinc/99/08/11/209990811.db2.gz ZFTGYOIMKFGWBM-UHFFFAOYSA-N 0 0 345.374 4.078 50 0 EIAARN CCCCc1ccc(NC(=O)COC(=O)c2ccc(C)cc2C)cc1 ZINC000003251231 209989216 /nfs/dbraw/zinc/98/92/16/209989216.db2.gz ILXOSYMBKGMFCM-UHFFFAOYSA-N 0 0 339.435 4.442 50 0 EIAARN O=C(CSc1nc2ccccc2s1)NCCC1=CCCCC1 ZINC000003247381 209987486 /nfs/dbraw/zinc/98/74/86/209987486.db2.gz KDKTWQGHMUUODX-UHFFFAOYSA-N 0 0 332.494 4.395 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2ccccc21 ZINC000003244423 209985913 /nfs/dbraw/zinc/98/59/13/209985913.db2.gz NVQHIRLPVQWVET-UHFFFAOYSA-N 0 0 333.416 4.395 50 0 EIAARN CN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003217341 209979028 /nfs/dbraw/zinc/97/90/28/209979028.db2.gz IKQBRIKMSBIALN-UHFFFAOYSA-N 0 0 345.398 4.173 50 0 EIAARN O=C(COc1c(Cl)cc(Cl)cc1Cl)NCc1ccccc1 ZINC000003183335 209973277 /nfs/dbraw/zinc/97/32/77/209973277.db2.gz GSTHXYJETNNSMT-UHFFFAOYSA-N 0 0 344.625 4.342 50 0 EIAARN COc1ccc(COC(=O)Nc2cc(F)c(F)cc2Cl)cc1 ZINC000003150692 209970513 /nfs/dbraw/zinc/97/05/13/209970513.db2.gz LECRHMYXPFZREC-UHFFFAOYSA-N 0 0 327.714 4.376 50 0 EIAARN CCCCC(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067604181 215167096 /nfs/dbraw/zinc/16/70/96/215167096.db2.gz JTJBUJCZSQGDHV-UHFFFAOYSA-N 0 0 329.419 4.112 50 0 EIAARN COC(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067676072 215182191 /nfs/dbraw/zinc/18/21/91/215182191.db2.gz JCWNSQFOBGGZOJ-UHFFFAOYSA-N 0 0 334.375 4.133 50 0 EIAARN COCCN(C(=S)Nc1c(C)cccc1C)[C@@H](C)c1ccccn1 ZINC000003046572 209957726 /nfs/dbraw/zinc/95/77/26/209957726.db2.gz XAWOJOYCVLZKMI-INIZCTEOSA-N 0 0 343.496 4.105 50 0 EIAARN CC(C)c1cc(C2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)[nH]n1 ZINC000067741988 215200479 /nfs/dbraw/zinc/20/04/79/215200479.db2.gz ZNZOGJVYRGJXAF-MRXNPFEDSA-N 0 0 339.483 4.433 50 0 EIAARN CCCCc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 ZINC000002979531 209949706 /nfs/dbraw/zinc/94/97/06/209949706.db2.gz FGJKXJXAQSAEDH-UHFFFAOYSA-N 0 0 330.428 4.295 50 0 EIAARN CC(=O)c1ccc(Cl)c(Cl)c1OCc1noc(C2CC2)n1 ZINC000067783708 215210438 /nfs/dbraw/zinc/21/04/38/215210438.db2.gz KOGDSLVVMAGDNV-UHFFFAOYSA-N 0 0 327.167 4.035 50 0 EIAARN COc1ccc(-c2nc(Cn3ccnc3C)c(C)o2)c2ccccc12 ZINC000067788282 215212607 /nfs/dbraw/zinc/21/26/07/215212607.db2.gz VTVZIWSJWQTEMT-UHFFFAOYSA-N 0 0 333.391 4.365 50 0 EIAARN Cc1cnn([C@@H](C)C2CC2)c1NC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000067817473 215219012 /nfs/dbraw/zinc/21/90/12/215219012.db2.gz WGTNHDDYJZWYPD-AWEZNQCLSA-N 0 0 336.439 4.133 50 0 EIAARN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC000067820365 215221548 /nfs/dbraw/zinc/22/15/48/215221548.db2.gz RMHQDFOZKJPMOD-LJQANCHMSA-N 0 0 345.446 4.405 50 0 EIAARN Cc1cncc(NC(=O)c2cccc(CN(C)[C@H](C)c3ccco3)c2)c1 ZINC000067818938 215222054 /nfs/dbraw/zinc/22/20/54/215222054.db2.gz BBBCOMKWAHHSGA-MRXNPFEDSA-N 0 0 349.434 4.428 50 0 EIAARN COc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1ncc[nH]1 ZINC000067843084 215227080 /nfs/dbraw/zinc/22/70/80/215227080.db2.gz QHDCMDOMWLMXFU-UHFFFAOYSA-N 0 0 348.381 4.136 50 0 EIAARN C[C@@H](c1cncs1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067842792 215227283 /nfs/dbraw/zinc/22/72/83/215227283.db2.gz NLUGHSNEJUWNRD-AWEZNQCLSA-N 0 0 349.463 4.046 50 0 EIAARN CC(C)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000002877222 209933631 /nfs/dbraw/zinc/93/36/31/209933631.db2.gz RDUFTEHFBAOJIP-UHFFFAOYSA-N 0 0 337.872 4.080 50 0 EIAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccncc1)CCO2 ZINC000067871777 215235909 /nfs/dbraw/zinc/23/59/09/215235909.db2.gz CGSZBTOTOXIEDU-UHFFFAOYSA-N 0 0 346.430 4.157 50 0 EIAARN CCC[C@H](C)c1nnc(NC(=O)CSCc2ccccc2)s1 ZINC000002865500 209930211 /nfs/dbraw/zinc/93/02/11/209930211.db2.gz AXMFJXNGMVQLEE-LBPRGKRZSA-N 0 0 335.498 4.314 50 0 EIAARN CCc1ccc([C@@H](C)C(=O)Nc2ccccc2-c2nnc(C)o2)cc1 ZINC000067972530 215263528 /nfs/dbraw/zinc/26/35/28/215263528.db2.gz DNFBETULRBGVHA-CYBMUJFWSA-N 0 0 335.407 4.350 50 0 EIAARN CC(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(F)c1 ZINC000041780965 213465196 /nfs/dbraw/zinc/46/51/96/213465196.db2.gz DJYUIIQDOQTOCU-HWWQOWPSSA-N 0 0 337.460 4.061 50 0 EIAARN CCn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)c(C)n1 ZINC000002745785 209901141 /nfs/dbraw/zinc/90/11/41/209901141.db2.gz VRTDZGRHNDKTQF-UHFFFAOYSA-N 0 0 349.360 4.056 50 0 EIAARN CC(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ncc[nH]1 ZINC000225837996 535100198 /nfs/dbraw/zinc/10/01/98/535100198.db2.gz IVZGRIQJMIMVFX-LBPRGKRZSA-N 0 0 327.215 4.235 50 0 EIAARN COc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)c(OC)c1 ZINC000002662392 209886944 /nfs/dbraw/zinc/88/69/44/209886944.db2.gz MSCBNFATKHFQAB-UHFFFAOYSA-N 0 0 336.844 4.475 50 0 EIAARN CCCNC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000041128091 213421697 /nfs/dbraw/zinc/42/16/97/213421697.db2.gz SJOHUMJHVYBSTN-ZDUSSCGKSA-N 0 0 330.255 4.031 50 0 EIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl ZINC000041096694 213416123 /nfs/dbraw/zinc/41/61/23/213416123.db2.gz JDGUNOHVJSKUGW-QMMMGPOBSA-N 0 0 342.675 4.210 50 0 EIAARN COc1cccc(CSc2nnc(-c3ccc(C)cc3)n2C)c1 ZINC000002454087 209851130 /nfs/dbraw/zinc/85/11/30/209851130.db2.gz ICFJDMYCPHDZOD-UHFFFAOYSA-N 0 0 325.437 4.091 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3CO)ccc2c1 ZINC000068755671 215330801 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ZINC000036357029 213089153 /nfs/dbraw/zinc/08/91/53/213089153.db2.gz QYWFONFRXLAMPX-CQSZACIVSA-N 0 0 343.452 4.266 50 0 EIAARN O=C1C[C@H](c2c(F)cccc2F)c2ncn(-c3ccccc3F)c2N1 ZINC000036358023 213089100 /nfs/dbraw/zinc/08/91/00/213089100.db2.gz NASWTAGLCYKLLK-SNVBAGLBSA-N 0 0 343.308 4.413 50 0 EIAARN Clc1cccc(-c2nnc3sc(-c4ccco4)nn32)c1Cl ZINC000036358306 213088742 /nfs/dbraw/zinc/08/87/42/213088742.db2.gz SEBSEDAXFCEULB-UHFFFAOYSA-N 0 0 337.191 4.420 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](OCc3cc(F)ccc3F)C2)cc1 ZINC000036315500 213083948 /nfs/dbraw/zinc/08/39/48/213083948.db2.gz FHNDPSDMOJGKOP-SFHVURJKSA-N 0 0 345.389 4.095 50 0 EIAARN Cc1ccc(CO[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000036314763 213083233 /nfs/dbraw/zinc/08/32/33/213083233.db2.gz MEHFOKHKTHWRBR-IBGZPJMESA-N 0 0 343.854 4.470 50 0 EIAARN CCC(=O)N(CC)Cc1csc(COc2cccc(C)c2C)n1 ZINC000036114204 213069995 /nfs/dbraw/zinc/06/99/95/213069995.db2.gz MFVSCTYCTGYEGA-UHFFFAOYSA-N 0 0 332.469 4.097 50 0 EIAARN Cc1nc(COc2ccccc2)sc1C(=O)Nc1cccc(F)c1 ZINC000036107938 213069291 /nfs/dbraw/zinc/06/92/91/213069291.db2.gz ZAQABEYWMMVXDQ-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN CCOc1ccc(C(=O)c2cnc3ccccc3c2N2CCCC2)cc1 ZINC000036102792 213067023 /nfs/dbraw/zinc/06/70/23/213067023.db2.gz CPSGDPRJEXHJFE-UHFFFAOYSA-N 0 0 346.430 4.465 50 0 EIAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)CC ZINC000036106575 213068433 /nfs/dbraw/zinc/06/84/33/213068433.db2.gz ADUNHLIPVLSXDT-UHFFFAOYSA-N 0 0 332.469 4.179 50 0 EIAARN CCN(Cc1cc(-c2ccccc2OC)on1)C(=O)c1cccs1 ZINC000036012486 213055013 /nfs/dbraw/zinc/05/50/13/213055013.db2.gz QOZGUQDWYKEJHQ-UHFFFAOYSA-N 0 0 342.420 4.074 50 0 EIAARN O=C(c1cccc(F)c1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000035818475 213051028 /nfs/dbraw/zinc/05/10/28/213051028.db2.gz YACUVLQXXKXXQY-LJQANCHMSA-N 0 0 338.357 4.012 50 0 EIAARN O=C(C1CCCC1)N1CCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000035818541 213050486 /nfs/dbraw/zinc/05/04/86/213050486.db2.gz MFVCOMPWGMOTIU-GOSISDBHSA-N 0 0 328.843 4.263 50 0 EIAARN CCc1cc(OC(=O)C2CC2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000035689970 213047767 /nfs/dbraw/zinc/04/77/67/213047767.db2.gz JGTQANYQKQVNOV-UHFFFAOYSA-N 0 0 325.195 4.057 50 0 EIAARN Oc1ccccc1-c1nc2ncccn2c1Nc1cccc(Cl)c1 ZINC000035616233 213042792 /nfs/dbraw/zinc/04/27/92/213042792.db2.gz GOFPPOSRDVFLEY-UHFFFAOYSA-N 0 0 336.782 4.499 50 0 EIAARN Cc1ccccc1Nc1c(-c2ccc3c(c2)OCO3)nc2cnccn21 ZINC000035622701 213042352 /nfs/dbraw/zinc/04/23/52/213042352.db2.gz PWBFKJXHQMEFIK-UHFFFAOYSA-N 0 0 344.374 4.177 50 0 EIAARN Cc1ccc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)nn1 ZINC000035598003 213041838 /nfs/dbraw/zinc/04/18/38/213041838.db2.gz SDFONMCZEAHKTQ-UHFFFAOYSA-N 0 0 333.395 4.481 50 0 EIAARN c1sc(C2CC2)nc1-c1cccc(-c2noc(-c3cnccn3)n2)c1 ZINC000035527596 213036744 /nfs/dbraw/zinc/03/67/44/213036744.db2.gz QEUWJLMVEZVBCI-UHFFFAOYSA-N 0 0 347.403 4.195 50 0 EIAARN Cc1cc([C@H]2CCCN2Cc2cc(Br)ccc2F)on1 ZINC000035511230 213035439 /nfs/dbraw/zinc/03/54/39/213035439.db2.gz TXMQTTXMBOIKEK-CQSZACIVSA-N 0 0 339.208 4.222 50 0 EIAARN CCCn1cnc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc21 ZINC000035453598 213028270 /nfs/dbraw/zinc/02/82/70/213028270.db2.gz FLBNJLRUDQLGAB-UHFFFAOYSA-N 0 0 336.370 4.226 50 0 EIAARN Cc1c(C(=O)OCc2cc(C)ccc2C)nnn1-c1ccc(C)c(C)c1 ZINC000035479006 213031208 /nfs/dbraw/zinc/03/12/08/213031208.db2.gz HKFYBHWTNYQUMM-UHFFFAOYSA-N 0 0 349.434 4.166 50 0 EIAARN COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000035476502 213031246 /nfs/dbraw/zinc/03/12/46/213031246.db2.gz IFXNLFBKUIPHHU-OAHLLOKOSA-N 0 0 344.436 4.212 50 0 EIAARN Cc1nn(C(=O)Nc2ccc(Br)cc2F)c2ccccc12 ZINC000035422253 213027152 /nfs/dbraw/zinc/02/71/52/213027152.db2.gz HLZULUPFFRPOCM-UHFFFAOYSA-N 0 0 348.175 4.327 50 0 EIAARN O=C(NC1CCCCC1)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429968 213026647 /nfs/dbraw/zinc/02/66/47/213026647.db2.gz UMSXMRFMNQXZKI-UHFFFAOYSA-N 0 0 346.434 4.436 50 0 EIAARN Cc1cc(C(=O)N(C)Cc2ccccc2)c2cnn(C3CCCC3)c2n1 ZINC000071284579 215753084 /nfs/dbraw/zinc/75/30/84/215753084.db2.gz XPBUDQXUTWPMBT-UHFFFAOYSA-N 0 0 348.450 4.127 50 0 EIAARN CCOC(=O)c1sc2nc(-c3ccccc3Cl)nc(C)c2c1N ZINC000035325016 213022030 /nfs/dbraw/zinc/02/20/30/213022030.db2.gz VWPXQDUPSSVUDX-UHFFFAOYSA-N 0 0 347.827 4.079 50 0 EIAARN Cc1cc(C(=O)N2CCCCC[C@H]2CC(C)C)nc(C(F)(F)F)n1 ZINC000188209244 236472156 /nfs/dbraw/zinc/47/21/56/236472156.db2.gz BKCDQVQSUKNOPW-ZDUSSCGKSA-N 0 0 343.393 4.235 50 0 EIAARN CCc1[nH]nc(-c2cccs2)c1NC(=O)c1ccc(F)cc1F ZINC000034796460 212988496 /nfs/dbraw/zinc/98/84/96/212988496.db2.gz SHYUUEQTJCOXOJ-UHFFFAOYSA-N 0 0 333.363 4.231 50 0 EIAARN COc1cc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc(OC)c1 ZINC000033528210 212953254 /nfs/dbraw/zinc/95/32/54/212953254.db2.gz NGCRIRFCPKDDLV-OQLLNIDSSA-N 0 0 342.782 4.090 50 0 EIAARN O=C(/C=C\c1ccccc1)OCC(=O)Nc1ccc2ccccc2c1 ZINC000033504166 212943374 /nfs/dbraw/zinc/94/33/74/212943374.db2.gz HURUIWCWELWBTH-RAXLEYEMSA-N 0 0 331.371 4.035 50 0 EIAARN CC(C)c1cccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1 ZINC000033321047 212925593 /nfs/dbraw/zinc/92/55/93/212925593.db2.gz GVAYTZMTCWMJGT-UHFFFAOYSA-N 0 0 345.752 4.468 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258036 212911625 /nfs/dbraw/zinc/91/16/25/212911625.db2.gz QFEDNGLOMLZQOA-HNNXBMFYSA-N 0 0 346.434 4.416 50 0 EIAARN Cc1cc(C)cc(-c2nc(-c3cccc(C(=O)N4CCCC4)c3)no2)c1 ZINC000033257803 212911629 /nfs/dbraw/zinc/91/16/29/212911629.db2.gz ITBNSKLIEHBFAO-UHFFFAOYSA-N 0 0 347.418 4.256 50 0 EIAARN C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)s1 ZINC000033191669 212905674 /nfs/dbraw/zinc/90/56/74/212905674.db2.gz YXZJWVBALBPPJF-KFEJWOFMSA-N 0 0 335.812 4.021 50 0 EIAARN CC(=O)Nc1nc2cc(NC(=O)Nc3ccccc3C)ccc2s1 ZINC000033129441 212902202 /nfs/dbraw/zinc/90/22/02/212902202.db2.gz CRMDDPINJQENBV-UHFFFAOYSA-N 0 0 340.408 4.207 50 0 EIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccccc1Cl ZINC000033086142 212895793 /nfs/dbraw/zinc/89/57/93/212895793.db2.gz GBGRNNZPURQUQQ-UHFFFAOYSA-N 0 0 340.814 4.357 50 0 EIAARN CC[C@@H]1CN(CC(=O)NCc2ccccc2C)c2ccccc2S1 ZINC000033059381 212893342 /nfs/dbraw/zinc/89/33/42/212893342.db2.gz OGAOUINZQPNRBK-QGZVFWFLSA-N 0 0 340.492 4.002 50 0 EIAARN Cc1ccc2c(c1)C=C(C(=O)Nc1ccc3oc(=O)ccc3c1)C=CO2 ZINC000033026942 212889570 /nfs/dbraw/zinc/88/95/70/212889570.db2.gz YSEONKFGIUNCDM-UHFFFAOYSA-N 0 0 345.354 4.030 50 0 EIAARN CCCCC(=O)Nc1cccc(N2CCn3c4ccccc4nc3C2)c1 ZINC000033018538 212889249 /nfs/dbraw/zinc/88/92/49/212889249.db2.gz YZWVGVPVKIOPIV-UHFFFAOYSA-N 0 0 348.450 4.185 50 0 EIAARN Cc1ccc(-c2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)s1 ZINC000032996263 212886350 /nfs/dbraw/zinc/88/63/50/212886350.db2.gz IKNLPTJHXZFLHP-UHFFFAOYSA-N 0 0 342.424 4.303 50 0 EIAARN CCOC(=O)c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 ZINC000071873573 215904230 /nfs/dbraw/zinc/90/42/30/215904230.db2.gz ZHCKNTQVAYRVIF-UHFFFAOYSA-N 0 0 338.329 4.010 50 0 EIAARN O=C(Cc1cccs1)Nc1ccccc1NC(=O)[C@H]1CC=CCC1 ZINC000071884299 215921491 /nfs/dbraw/zinc/92/14/91/215921491.db2.gz UEDDLANIOCCCNX-AWEZNQCLSA-N 0 0 340.448 4.224 50 0 EIAARN Cc1ccc(C)c(Nc2nc(N)c(C(=O)c3ccccc3F)s2)c1 ZINC000032947995 212880005 /nfs/dbraw/zinc/88/00/05/212880005.db2.gz CFMNGSYVZSLGNM-UHFFFAOYSA-N 0 0 341.411 4.456 50 0 EIAARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2ncccc2c1 ZINC000032936368 212878826 /nfs/dbraw/zinc/87/88/26/212878826.db2.gz GGLZOTIANWPJFD-HXUWFJFHSA-N 0 0 333.366 4.072 50 0 EIAARN CCCc1cc(C(=O)Nc2ccc(NC(=O)NC)cc2)sc1C ZINC000032903302 212865189 /nfs/dbraw/zinc/86/51/89/212865189.db2.gz MGHZCMWVOOIJSO-UHFFFAOYSA-N 0 0 331.441 4.013 50 0 EIAARN CCCc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1 ZINC000032858055 212858103 /nfs/dbraw/zinc/85/81/03/212858103.db2.gz YCPLEBOSFBUBSU-IBGZPJMESA-N 0 0 339.435 4.026 50 0 EIAARN Cc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 ZINC000000421845 209583240 /nfs/dbraw/zinc/58/32/40/209583240.db2.gz DAWMCHLWGGTMCV-UHFFFAOYSA-N 0 0 328.368 4.159 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)o1 ZINC000032815593 212847804 /nfs/dbraw/zinc/84/78/04/212847804.db2.gz PDFAUSJZAYWLCI-UHFFFAOYSA-N 0 0 346.839 4.224 50 0 EIAARN O=C([C@@H]1Cc2ccccc2O1)N(Cc1ccccc1)c1ccccc1 ZINC000032768418 212838773 /nfs/dbraw/zinc/83/87/73/212838773.db2.gz QKALKGCCMRMKEZ-NRFANRHFSA-N 0 0 329.399 4.224 50 0 EIAARN COc1ccc(C(C)=O)cc1CN(C)Cc1nc2ccccc2s1 ZINC000032751502 212834770 /nfs/dbraw/zinc/83/47/70/212834770.db2.gz VNRTZVBNJJWZMF-UHFFFAOYSA-N 0 0 340.448 4.140 50 0 EIAARN Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000032739362 212832086 /nfs/dbraw/zinc/83/20/86/212832086.db2.gz HDUMISNRHRRKAB-UHFFFAOYSA-N 0 0 349.862 4.167 50 0 EIAARN O=C(CCCc1nc(-c2cccs2)no1)NCCC1=CCCCC1 ZINC000032477986 212804405 /nfs/dbraw/zinc/80/44/05/212804405.db2.gz JZBTYAHNKMQQNP-UHFFFAOYSA-N 0 0 345.468 4.128 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)NCCCCN(C)c2ccccc2)C1(C)C ZINC000072017275 215994534 /nfs/dbraw/zinc/99/45/34/215994534.db2.gz ZCPAHDQDKSFPLY-RBUKOAKNSA-N 0 0 328.500 4.258 50 0 EIAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccccc1 ZINC000032101247 212789995 /nfs/dbraw/zinc/78/99/95/212789995.db2.gz NKKXQUHVMUBWFL-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN O=C(Oc1ccc2c(c1)onc2-c1ccc(F)cc1)c1ccncc1 ZINC000032094650 212787196 /nfs/dbraw/zinc/78/71/96/212787196.db2.gz AOCBWBCZMZNCKZ-UHFFFAOYSA-N 0 0 334.306 4.248 50 0 EIAARN FC(F)(F)c1cccc2c(N3CC(c4ccncc4)C3)ccnc21 ZINC000072131971 216021093 /nfs/dbraw/zinc/02/10/93/216021093.db2.gz GWBMKXITJXPCTQ-UHFFFAOYSA-N 0 0 329.325 4.252 50 0 EIAARN COc1ccc(-c2ccc(-c3nc(C(C)C)no3)cn2)c2cccnc12 ZINC000072150822 216039832 /nfs/dbraw/zinc/03/98/32/216039832.db2.gz UNCIMABZRYSZPQ-UHFFFAOYSA-N 0 0 346.390 4.479 50 0 EIAARN O=C1CC[C@@]2(CCCO2)CCN1Cc1cccc(-c2ccccc2)c1 ZINC000072152832 216040586 /nfs/dbraw/zinc/04/05/86/216040586.db2.gz SKMULIPPDKPUJC-QFIPXVFZSA-N 0 0 335.447 4.415 50 0 EIAARN OCc1cccc(-n2ccnc2-c2ccc([C@@H]3CCCCO3)s2)c1 ZINC000072157559 216047094 /nfs/dbraw/zinc/04/70/94/216047094.db2.gz LTWWGWACIGUUKG-INIZCTEOSA-N 0 0 340.448 4.335 50 0 EIAARN Oc1cccc(-c2ccc(-c3nc(Cc4ccccc4)no3)cn2)c1 ZINC000072163027 216051703 /nfs/dbraw/zinc/05/17/03/216051703.db2.gz APHKZOWUWDBUCY-UHFFFAOYSA-N 0 0 329.359 4.095 50 0 EIAARN O=C(c1cc2sccc2[nH]1)N1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000072169605 216060742 /nfs/dbraw/zinc/06/07/42/216060742.db2.gz SMJMNRQISVBKFW-AWEZNQCLSA-N 0 0 343.427 4.085 50 0 EIAARN CC(C)c1nc([C@@H]2CCCN(C(=O)C[C@@H](C)c3ccccc3)C2)no1 ZINC000072232229 216073095 /nfs/dbraw/zinc/07/30/95/216073095.db2.gz LRDOKESKKGJKOW-NVXWUHKLSA-N 0 0 341.455 4.093 50 0 EIAARN Cc1ccccc1NC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1 ZINC000072238571 216077658 /nfs/dbraw/zinc/07/76/58/216077658.db2.gz XUOOPZWUQWCPLN-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN CC(C)(C)C1CCC(C(=O)Nc2cc(-c3ccncc3)[nH]n2)CC1 ZINC000072256121 216084560 /nfs/dbraw/zinc/08/45/60/216084560.db2.gz WXJXLYYOIQQPHF-UHFFFAOYSA-N 0 0 326.444 4.263 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000030986853 212720655 /nfs/dbraw/zinc/72/06/55/212720655.db2.gz ASJVLBMXGNBBBI-WFASDCNBSA-N 0 0 328.378 4.126 50 0 EIAARN CSc1ccc(CN[C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000030644419 212704469 /nfs/dbraw/zinc/70/44/69/212704469.db2.gz YMXLZPRLOCGPSR-GOSISDBHSA-N 0 0 341.455 4.160 50 0 EIAARN Cc1nnc(SCC(=O)c2ccccc2)n1-c1cccc(C)c1C ZINC000000401009 209569965 /nfs/dbraw/zinc/56/99/65/209569965.db2.gz XKTNBXUNRGXFTP-UHFFFAOYSA-N 0 0 337.448 4.168 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)Nc2ccc(OC)cc2)c1 ZINC000000401533 209569663 /nfs/dbraw/zinc/56/96/63/209569663.db2.gz NQOWVJALEGFHBQ-UHFFFAOYSA-N 0 0 330.384 4.137 50 0 EIAARN COc1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000000385984 209565191 /nfs/dbraw/zinc/56/51/91/209565191.db2.gz BETUXAPBFPGAPT-GOSISDBHSA-N 0 0 346.386 4.280 50 0 EIAARN COc1cc(NC(=O)c2ccc(Cl)s2)c(OC)cc1Cl ZINC000000371421 209555867 /nfs/dbraw/zinc/55/58/67/209555867.db2.gz VMDUJCMYFAZRJP-UHFFFAOYSA-N 0 0 332.208 4.324 50 0 EIAARN CC(=O)c1ccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000072282420 216112325 /nfs/dbraw/zinc/11/23/25/216112325.db2.gz QUJFTEIWYCQVFQ-UHFFFAOYSA-N 0 0 338.407 4.039 50 0 EIAARN CCCc1cc(C(=O)OC)c(NC(=O)c2cccc(OCC)c2)s1 ZINC000000355458 209549288 /nfs/dbraw/zinc/54/92/88/209549288.db2.gz HQIAPSTUEAPGPC-UHFFFAOYSA-N 0 0 347.436 4.138 50 0 EIAARN CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000000324741 209537639 /nfs/dbraw/zinc/53/76/39/209537639.db2.gz XWHDEFPNYDHTLW-CQSZACIVSA-N 0 0 345.418 4.018 50 0 EIAARN O=C(COc1ccc(Br)cc1)NC1CCCCCCC1 ZINC000000326681 209537268 /nfs/dbraw/zinc/53/72/68/209537268.db2.gz YSTFNTJAVQUBPO-UHFFFAOYSA-N 0 0 340.261 4.057 50 0 EIAARN COC(=O)c1c(C)n(Cc2ccco2)c2c1cc(O)c1ccccc21 ZINC000000306225 209527525 /nfs/dbraw/zinc/52/75/25/209527525.db2.gz CODQCXZVQVFKRW-UHFFFAOYSA-N 0 0 335.359 4.236 50 0 EIAARN O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCCC[C@@H]1c1nccs1 ZINC000072286501 216118418 /nfs/dbraw/zinc/11/84/18/216118418.db2.gz CFJIZSOFFPKXDY-LALPHHSUSA-N 0 0 348.418 4.279 50 0 EIAARN COC(=O)[C@@H](C)N(C(=O)c1cccc(Cl)c1)c1c(C)cccc1C ZINC000000297144 209522918 /nfs/dbraw/zinc/52/29/18/209522918.db2.gz JZQRVFXZHUSDFR-CQSZACIVSA-N 0 0 345.826 4.165 50 0 EIAARN CC(C)(CNC(=O)Nc1nc2c(s1)CCCC2)c1cccs1 ZINC000072284984 216115591 /nfs/dbraw/zinc/11/55/91/216115591.db2.gz WBMSTQVXSZSIPM-UHFFFAOYSA-N 0 0 335.498 4.183 50 0 EIAARN Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000029657322 212676686 /nfs/dbraw/zinc/67/66/86/212676686.db2.gz DNYBOHAIZNMZDM-CQSZACIVSA-N 0 0 335.451 4.000 50 0 EIAARN CC[C@@](C)(NC(=O)Nc1c(F)cccc1F)c1nc(C)cs1 ZINC000072296070 216134256 /nfs/dbraw/zinc/13/42/56/216134256.db2.gz BRCFYGZZFTYCOL-OAHLLOKOSA-N 0 0 325.384 4.177 50 0 EIAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000000269375 209511923 /nfs/dbraw/zinc/51/19/23/209511923.db2.gz AQAOHKDZIAZWJG-NSHDSACASA-N 0 0 349.839 4.231 50 0 EIAARN O=C(NCCC1=CCCCC1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000072328838 216152604 /nfs/dbraw/zinc/15/26/04/216152604.db2.gz ZZBMFNSPIVHMLJ-UHFFFAOYSA-N 0 0 329.831 4.350 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000072328856 216152979 /nfs/dbraw/zinc/15/29/79/216152979.db2.gz NPYXTEAQDKPMBG-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)CC(C)(C)C2 ZINC000000230363 209497219 /nfs/dbraw/zinc/49/72/19/209497219.db2.gz HMPNSVDJZAEYIL-UHFFFAOYSA-N 0 0 337.419 4.389 50 0 EIAARN CCc1cccc(C)c1NC(=O)COC(=O)c1cc(F)ccc1Cl ZINC000072330132 216153750 /nfs/dbraw/zinc/15/37/50/216153750.db2.gz UDUPOLGEOIARPX-UHFFFAOYSA-N 0 0 349.789 4.145 50 0 EIAARN CCc1ccc(-c2n[nH]cc2C(=O)NCc2ccccc2Cl)cc1 ZINC000072329167 216154231 /nfs/dbraw/zinc/15/42/31/216154231.db2.gz OWAOSIMVUAARFE-UHFFFAOYSA-N 0 0 339.826 4.223 50 0 EIAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cc1ccccc1 ZINC000000227397 209496444 /nfs/dbraw/zinc/49/64/44/209496444.db2.gz USESCNIDMHWKPS-UHFFFAOYSA-N 0 0 345.464 4.305 50 0 EIAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 ZINC000072331315 216154982 /nfs/dbraw/zinc/15/49/82/216154982.db2.gz QSAAWFACXFIITA-UHFFFAOYSA-N 0 0 346.833 4.058 50 0 EIAARN CCCCO[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccccc3)o2)C1(C)C ZINC000072311072 216146649 /nfs/dbraw/zinc/14/66/49/216146649.db2.gz LDNZDFORIZAXHW-SJORKVTESA-N 0 0 343.471 4.152 50 0 EIAARN COC(=O)Nc1ccc(O[C@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000072311201 216147334 /nfs/dbraw/zinc/14/73/34/216147334.db2.gz HLVACZJHOCDJPI-SNVBAGLBSA-N 0 0 345.380 4.116 50 0 EIAARN CCc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3nnnc3N2)cc1 ZINC000000222524 209494276 /nfs/dbraw/zinc/49/42/76/209494276.db2.gz MLVBPASJEIAGND-DLBZAZTESA-N 0 0 339.830 4.035 50 0 EIAARN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc3ccccc3n21 ZINC000000222562 209494089 /nfs/dbraw/zinc/49/40/89/209494089.db2.gz DNPGHMVQBFUCSE-HXUWFJFHSA-N 0 0 345.402 4.067 50 0 EIAARN CCN(CC)C(=S)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000000221655 209493854 /nfs/dbraw/zinc/49/38/54/209493854.db2.gz YNYDGQUJYDCHFY-UHFFFAOYSA-N 0 0 346.427 4.084 50 0 EIAARN Cc1nn(C)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000028923015 212644434 /nfs/dbraw/zinc/64/44/34/212644434.db2.gz ZVAFGTLKTJTLPN-LJQANCHMSA-N 0 0 349.825 4.371 50 0 EIAARN COC(=O)c1cnc(Nc2ccc(Cl)cc2OC)c2ccccc12 ZINC000000211701 209486656 /nfs/dbraw/zinc/48/66/56/209486656.db2.gz GSPFOIXYTDECCP-UHFFFAOYSA-N 0 0 342.782 4.427 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2cccs2)cc1 ZINC000072404361 216195902 /nfs/dbraw/zinc/19/59/02/216195902.db2.gz HJNHHWVYAAJVTP-OAHLLOKOSA-N 0 0 339.420 4.125 50 0 EIAARN Cc1cc(C)n(-c2cccc(C(=O)Nc3cccc4[nH]ccc43)c2)n1 ZINC000072404021 216196093 /nfs/dbraw/zinc/19/60/93/216196093.db2.gz JYUGBTTVLKHLIM-UHFFFAOYSA-N 0 0 330.391 4.223 50 0 EIAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2Cc1cccs1 ZINC000072405561 216196772 /nfs/dbraw/zinc/19/67/72/216196772.db2.gz UXVKOELGQSUAEM-AWEZNQCLSA-N 0 0 339.420 4.125 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 ZINC000000147351 209450901 /nfs/dbraw/zinc/45/09/01/209450901.db2.gz SLUMEKJXEITDGR-RMKNXTFCSA-N 0 0 331.799 4.318 50 0 EIAARN CCc1nnc(NC(=O)/C=C/c2c(Cl)cccc2Cl)s1 ZINC000000147116 209450350 /nfs/dbraw/zinc/45/03/50/209450350.db2.gz GMKCSIJQRNMCNS-VOTSOKGWSA-N 0 0 328.224 4.059 50 0 EIAARN CCOC(=O)c1cnc(C(F)(F)F)nc1Nc1ccccc1Cl ZINC000000123865 209436845 /nfs/dbraw/zinc/43/68/45/209436845.db2.gz PFSOBHXODUPUPQ-UHFFFAOYSA-N 0 0 345.708 4.069 50 0 EIAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C)cc(C)c3)C2=O)cc1 ZINC000000121626 209435655 /nfs/dbraw/zinc/43/56/55/209435655.db2.gz OACOUEHJVBRLCJ-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN CC(C)c1ccc(NC(=O)c2c(N)n[nH]c2Nc2ccccc2)cc1 ZINC000072408147 216199634 /nfs/dbraw/zinc/19/96/34/216199634.db2.gz BSFWBIWKWDWPOF-UHFFFAOYSA-N 0 0 335.411 4.111 50 0 EIAARN Cc1sc2ncnc(SCC(=O)Nc3ccccc3C)c2c1C ZINC000000102760 209421603 /nfs/dbraw/zinc/42/16/03/209421603.db2.gz GYRYHURELXURJF-UHFFFAOYSA-N 0 0 343.477 4.347 50 0 EIAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000000103019 209421473 /nfs/dbraw/zinc/42/14/73/209421473.db2.gz UXHHAHBLWCFQDT-UHFFFAOYSA-N 0 0 328.462 4.048 50 0 EIAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1CCOCC1 ZINC000028341746 212616297 /nfs/dbraw/zinc/61/62/97/212616297.db2.gz KTFLUDKJJRHLKP-UHFFFAOYSA-N 0 0 338.432 4.328 50 0 EIAARN Clc1ccc(-c2cc(NCc3ccncc3)nc3[nH]ccc32)nc1 ZINC000072419116 216207638 /nfs/dbraw/zinc/20/76/38/216207638.db2.gz RTRPAKVAGFUFDB-UHFFFAOYSA-N 0 0 335.798 4.285 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000000093488 209416036 /nfs/dbraw/zinc/41/60/36/209416036.db2.gz IGZOQWPPTMEPEX-UHFFFAOYSA-N 0 0 331.746 4.488 50 0 EIAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1OC ZINC000000090607 209414055 /nfs/dbraw/zinc/41/40/55/209414055.db2.gz LPVOFRWOKFQKMW-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN C[C@H]1CN=C(N(CCc2ccccc2)C(=O)Nc2ccccc2)S1 ZINC000000086885 209410576 /nfs/dbraw/zinc/41/05/76/209410576.db2.gz MLRIXECAIIFHKO-HNNXBMFYSA-N 0 0 339.464 4.255 50 0 EIAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072426879 216217327 /nfs/dbraw/zinc/21/73/27/216217327.db2.gz YMRZJQFRBDBSCD-HNNXBMFYSA-N 0 0 343.442 4.362 50 0 EIAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl ZINC000000067092 209398891 /nfs/dbraw/zinc/39/88/91/209398891.db2.gz UPOGVOIRLOVHKQ-SNVBAGLBSA-N 0 0 349.217 4.371 50 0 EIAARN O=C1OC(c2ccco2)=N/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000000063455 209396372 /nfs/dbraw/zinc/39/63/72/209396372.db2.gz UUGAGJZPABJMFP-AQTBWJFISA-N 0 0 345.354 4.203 50 0 EIAARN COc1ccc(CN(Cc2ccco2)C(=O)c2cccs2)cc1 ZINC000028231915 212607624 /nfs/dbraw/zinc/60/76/24/212607624.db2.gz BADMKMFLEFMWNY-UHFFFAOYSA-N 0 0 327.405 4.192 50 0 EIAARN COc1ccc(C(=O)c2cccc(C(=O)c3ccc(OC)cc3)c2)cc1 ZINC000000062606 209395937 /nfs/dbraw/zinc/39/59/37/209395937.db2.gz XJFSZOOMKOVVLD-UHFFFAOYSA-N 0 0 346.382 4.166 50 0 EIAARN CCOc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 ZINC000000057812 209393534 /nfs/dbraw/zinc/39/35/34/209393534.db2.gz YMSWWWYWXZINGY-UHFFFAOYSA-N 0 0 340.375 4.184 50 0 EIAARN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cs1 ZINC000000051100 209390269 /nfs/dbraw/zinc/39/02/69/209390269.db2.gz XISJLRYLLQWDDI-UHFFFAOYSA-N 0 0 344.461 4.228 50 0 EIAARN COc1ccc(/C=C/C(=O)Oc2ccc(C(C)C)cc2)cc1OC ZINC000000048257 209388969 /nfs/dbraw/zinc/38/89/69/209388969.db2.gz FZTUFQFZVCQYBE-WUXMJOGZSA-N 0 0 326.392 4.446 50 0 biogenic EIAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2 ZINC000000045194 209388582 /nfs/dbraw/zinc/38/85/82/209388582.db2.gz UHZUTZAYEOUVEA-VAWYXSNFSA-N 0 0 341.432 4.065 50 0 EIAARN CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1 ZINC000000044953 209388598 /nfs/dbraw/zinc/38/85/98/209388598.db2.gz GOLORTLGFDVFDW-UHFFFAOYSA-N 0 0 333.391 4.183 50 0 biogenic EIAARN O=C(Nc1cccc2ccccc21)c1cc(-c2ccccc2O)[nH]n1 ZINC000072427473 216219105 /nfs/dbraw/zinc/21/91/05/216219105.db2.gz UKHJEDJSSQIIRE-UHFFFAOYSA-N 0 0 329.359 4.188 50 0 EIAARN Cc1cccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)c1C ZINC000072427505 216218575 /nfs/dbraw/zinc/21/85/75/216218575.db2.gz FQQIIOBXJWNGMT-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN Cc1csc([C@H](C)N(C)C(=O)c2cc(C)nc3c(C)cccc23)n1 ZINC000072432823 216227103 /nfs/dbraw/zinc/22/71/03/216227103.db2.gz PUGYSCUAWTXHLD-AWEZNQCLSA-N 0 0 339.464 4.450 50 0 EIAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)CCCc1cccs1 ZINC000072438640 216234439 /nfs/dbraw/zinc/23/44/39/216234439.db2.gz OLLHQMZECGIEMK-UHFFFAOYSA-N 0 0 340.448 4.384 50 0 EIAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000027664147 212572134 /nfs/dbraw/zinc/57/21/34/212572134.db2.gz TZAKCODTQACNJY-AWEZNQCLSA-N 0 0 348.374 4.371 50 0 EIAARN CSCc1nc(CNc2cc(C(C)C)nc3cc(C)nn32)cs1 ZINC000072480085 216260706 /nfs/dbraw/zinc/26/07/06/216260706.db2.gz WFPQWQQWUWAWCC-UHFFFAOYSA-N 0 0 347.513 4.093 50 0 EIAARN CCOc1ccc(N2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1 ZINC000027229284 212550537 /nfs/dbraw/zinc/55/05/37/212550537.db2.gz FCBDAIMDOGBLJN-LFIBNONCSA-N 0 0 343.379 4.465 50 0 EIAARN Fc1cc2nc(SCc3ccc(-n4cccn4)cc3)[nH]c2cc1F ZINC000027079054 212545304 /nfs/dbraw/zinc/54/53/04/212545304.db2.gz FQNJTYJWEUPTIB-UHFFFAOYSA-N 0 0 342.374 4.319 50 0 EIAARN O=C1COc2ccc(-c3csc(Nc4ccccc4F)n3)cc2N1 ZINC000025055665 212456611 /nfs/dbraw/zinc/45/66/11/212456611.db2.gz MDBAUSIXLUERLG-UHFFFAOYSA-N 0 0 341.367 4.024 50 0 EIAARN Cc1cc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)on1 ZINC000024878045 212444451 /nfs/dbraw/zinc/44/44/51/212444451.db2.gz IKLQCUACWFIEKZ-IBGZPJMESA-N 0 0 332.359 4.249 50 0 EIAARN O=C(Cc1csc2nc(-c3cccs3)cn12)NC1CCCCC1 ZINC000024754561 212437759 /nfs/dbraw/zinc/43/77/59/212437759.db2.gz HTZYKDWYTKDYSY-UHFFFAOYSA-N 0 0 345.493 4.116 50 0 EIAARN C[C@@H](c1ccccc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000074104040 216454725 /nfs/dbraw/zinc/45/47/25/216454725.db2.gz QFMURYSWLROULO-AWEZNQCLSA-N 0 0 327.405 4.018 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(F)cc1F ZINC000023878111 212397789 /nfs/dbraw/zinc/39/77/89/212397789.db2.gz UYJWALUIGVFDQP-SECBINFHSA-N 0 0 327.277 4.057 50 0 EIAARN Clc1snnc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000023865227 212397547 /nfs/dbraw/zinc/39/75/47/212397547.db2.gz MEZPVDJPSGEZMO-LLVKDONJSA-N 0 0 336.873 4.138 50 0 EIAARN O=C(CCCSc1nnc(-c2ccncc2)o1)c1ccc(F)cc1 ZINC000023585358 212384161 /nfs/dbraw/zinc/38/41/61/212384161.db2.gz XECMKVPLHGTGSA-UHFFFAOYSA-N 0 0 343.383 4.026 50 0 EIAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccccn1 ZINC000023484816 212379645 /nfs/dbraw/zinc/37/96/45/212379645.db2.gz KVOADEZMPBMITP-MRXNPFEDSA-N 0 0 347.443 4.186 50 0 EIAARN COc1cc(NCc2c(F)cccc2Cl)cc(OC)c1OC ZINC000023282819 212366790 /nfs/dbraw/zinc/36/67/90/212366790.db2.gz CLWVBLDVVDFAQI-UHFFFAOYSA-N 0 0 325.767 4.117 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000023192244 212359324 /nfs/dbraw/zinc/35/93/24/212359324.db2.gz CYCQEMZTVMCUJY-UHFFFAOYSA-N 0 0 335.450 4.046 50 0 EIAARN COc1ccc(NC(=O)CCc2ccc(F)cc2)cc1OC(F)F ZINC000023077367 212347040 /nfs/dbraw/zinc/34/70/40/212347040.db2.gz KNTRDUIOYVOOFO-UHFFFAOYSA-N 0 0 339.313 4.007 50 0 EIAARN Cc1cc(C)cc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000022981536 212340978 /nfs/dbraw/zinc/34/09/78/212340978.db2.gz POVMIMXKTKBRCH-UHFFFAOYSA-N 0 0 333.218 4.368 50 0 EIAARN Cc1csc(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)n1 ZINC000022991783 212340500 /nfs/dbraw/zinc/34/05/00/212340500.db2.gz XPVBKFBLYDPHCU-UHFFFAOYSA-N 0 0 344.465 4.203 50 0 EIAARN 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ZINC000020911874 212186564 /nfs/dbraw/zinc/18/65/64/212186564.db2.gz DPGXRBWAQAHNBS-AWEZNQCLSA-N 0 0 332.831 4.471 50 0 EIAARN CC(C)(C)[C@H]1CCc2nc(NC(=O)COc3ccccc3)sc2C1 ZINC000020897382 212183617 /nfs/dbraw/zinc/18/36/17/212183617.db2.gz ADLMHLFXMDYKIA-ZDUSSCGKSA-N 0 0 344.480 4.312 50 0 EIAARN O=c1nc([C@H]2CCC(F)(F)C2)[nH]c2sc3c(c21)CCCS3 ZINC000241897258 243006025 /nfs/dbraw/zinc/00/60/25/243006025.db2.gz TXCDIDRUBKAGLL-ZETCQYMHSA-N 0 0 328.409 4.338 50 0 EIAARN CC(C)c1cnc(NC(=O)Nc2cc(-c3cccs3)[nH]n2)s1 ZINC000242001118 243007655 /nfs/dbraw/zinc/00/76/55/243007655.db2.gz VDCFQECDZJUJNL-UHFFFAOYSA-N 0 0 333.442 4.362 50 0 EIAARN Cc1ccc(-c2nc3nc(C)cc(NCc4ccccc4)n3n2)cc1 ZINC000020853333 212177602 /nfs/dbraw/zinc/17/76/02/212177602.db2.gz RPBGJSLDCADIRO-UHFFFAOYSA-N 0 0 329.407 4.020 50 0 EIAARN CCN(Cc1cccnc1)C(=O)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000244647001 243049096 /nfs/dbraw/zinc/04/90/96/243049096.db2.gz GTGCPNXHTZPTCO-QFIPXVFZSA-N 0 0 334.463 4.332 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)[C@]1(c2ccccc2)CC12CCCC2 ZINC000244685551 243056509 /nfs/dbraw/zinc/05/65/09/243056509.db2.gz ISEBQSFBFMEZHN-OAQYLSRUSA-N 0 0 338.451 4.152 50 0 EIAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000020738558 212168059 /nfs/dbraw/zinc/16/80/59/212168059.db2.gz ZUWPTEVJQYSTPA-MRXNPFEDSA-N 0 0 347.422 4.218 50 0 EIAARN O=C1CS[C@@H](c2cccc(OC3CCCC3)c2)c2c[nH]nc2N1 ZINC000020745046 212167962 /nfs/dbraw/zinc/16/79/62/212167962.db2.gz IYIGMVQGYSMSNZ-INIZCTEOSA-N 0 0 329.425 4.155 50 0 EIAARN O=C(CCc1ccccc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000020717416 212163455 /nfs/dbraw/zinc/16/34/55/212163455.db2.gz PVIVYNLWGBLWJF-UHFFFAOYSA-N 0 0 338.838 4.339 50 0 EIAARN C[C@H]1C(=O)N(Cc2cccc3ccccc32)C(=O)N1c1ccc(F)cc1 ZINC000020671433 212160224 /nfs/dbraw/zinc/16/02/24/212160224.db2.gz RHLOAYXTBHKLEY-AWEZNQCLSA-N 0 0 348.377 4.336 50 0 EIAARN C[C@H](NC(=O)Nc1ccc(Cl)cc1F)c1ccc2c(c1)OCO2 ZINC000020551185 212146797 /nfs/dbraw/zinc/14/67/97/212146797.db2.gz 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212082944 /nfs/dbraw/zinc/08/29/44/212082944.db2.gz YSELGOSVYDSKDC-UHFFFAOYSA-N 0 0 332.709 4.250 50 0 EIAARN O=C(Nc1c(-c2ccccc2)nc2ncccn21)c1ccccc1Cl ZINC000019927796 212085924 /nfs/dbraw/zinc/08/59/24/212085924.db2.gz DBKKJVLJBKJRCS-UHFFFAOYSA-N 0 0 348.793 4.302 50 0 EIAARN CCOC(=O)c1sc2ncnc(Nc3ccccc3C)c2c1C ZINC000019926680 212084455 /nfs/dbraw/zinc/08/44/55/212084455.db2.gz VZQKSOAUONJRHV-UHFFFAOYSA-N 0 0 327.409 4.228 50 0 EIAARN Cc1cc2c(c(C)c1Cl)CN(Cc1ccc3c(c1)OCO3)CO2 ZINC000019848817 212076384 /nfs/dbraw/zinc/07/63/84/212076384.db2.gz POIZMAOBQIRWST-UHFFFAOYSA-N 0 0 331.799 4.038 50 0 EIAARN CC(C)n1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)cn1 ZINC000077458869 216910327 /nfs/dbraw/zinc/91/03/27/216910327.db2.gz AEBMVZCMXJELNZ-SFHVURJKSA-N 0 0 329.419 4.361 50 0 EIAARN Clc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019823828 212072908 /nfs/dbraw/zinc/07/29/08/212072908.db2.gz HLIMUQIEGKOIML-WEVVVXLNSA-N 0 0 326.871 4.171 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257357385 244584455 /nfs/dbraw/zinc/58/44/55/244584455.db2.gz NTIDOCUQWIFRTK-LXLNTTORSA-N 0 0 334.500 4.179 50 0 EIAARN Cc1nc(-c2cccs2)c(CCC(=O)Nc2nccs2)s1 ZINC000019819583 212071553 /nfs/dbraw/zinc/07/15/53/212071553.db2.gz MIGFVFUDOZLLJE-UHFFFAOYSA-N 0 0 335.479 4.208 50 0 EIAARN Cc1nc(C(=O)Nc2c(C)cccc2C)nn1-c1cccc(Cl)c1 ZINC000261490608 244591871 /nfs/dbraw/zinc/59/18/71/244591871.db2.gz NZDBSXRXDZMQQF-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CCOC(=O)c1cnc2ccc(F)cc2c1NCCc1ccccc1 ZINC000019793092 212067433 /nfs/dbraw/zinc/06/74/33/212067433.db2.gz WAIVQZKXEKAAOK-UHFFFAOYSA-N 0 0 338.382 4.205 50 0 EIAARN CC(=O)N1CCC[C@H]1c1ccc(C(=O)NCCC2=CCCCC2)s1 ZINC000019770910 212063016 /nfs/dbraw/zinc/06/30/16/212063016.db2.gz PCTOYDNKRCIUOR-INIZCTEOSA-N 0 0 346.496 4.052 50 0 EIAARN OCCCn1ccc(-c2cccc(-c3nccc4ccccc43)c2)n1 ZINC000019608930 212051100 /nfs/dbraw/zinc/05/11/00/212051100.db2.gz OPEHKTCNIFFBDL-UHFFFAOYSA-N 0 0 329.403 4.148 50 0 EIAARN Brc1ccccc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000019594901 212049839 /nfs/dbraw/zinc/04/98/39/212049839.db2.gz AMLAUAFJNXWLAG-UHFFFAOYSA-N 0 0 341.252 4.489 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)N(Cc1ccc(F)cc1)C1CC1 ZINC000019311364 212014273 /nfs/dbraw/zinc/01/42/73/212014273.db2.gz ZOUFJYCWXGZVBX-UHFFFAOYSA-N 0 0 336.410 4.431 50 0 EIAARN c1cncc([C@H]2CCCCN2CN2CCCC[C@H]2c2cccnc2)c1 ZINC000019318743 212015155 /nfs/dbraw/zinc/01/51/55/212015155.db2.gz KFIPVCUMEJOXQF-OYRHEFFESA-N 0 0 336.483 4.188 50 0 biogenic EIAARN Cc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000110381607 220032592 /nfs/dbraw/zinc/03/25/92/220032592.db2.gz VVSORZAXRQZAEM-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CC(C)n1cnnc1CNc1nc2cc(C(F)(F)F)ccc2s1 ZINC000078251542 217034112 /nfs/dbraw/zinc/03/41/12/217034112.db2.gz PWYUNZYYJQZUOX-UHFFFAOYSA-N 0 0 341.362 4.100 50 0 EIAARN Fc1cccc(-c2n[nH]cc2-c2nc3c[nH]n(C4CCCC4)c-3n2)c1 ZINC000019222724 212005510 /nfs/dbraw/zinc/00/55/10/212005510.db2.gz OZYZBRXQMYFJAI-UHFFFAOYSA-N 0 0 336.374 4.071 50 0 EIAARN CCn1ccnc1CN(C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019147802 212002036 /nfs/dbraw/zinc/00/20/36/212002036.db2.gz HWMKQARJWRUGBL-UHFFFAOYSA-N 0 0 345.450 4.078 50 0 EIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1 ZINC000018235507 211992031 /nfs/dbraw/zinc/99/20/31/211992031.db2.gz BMVFFSRPNZMBAX-UHFFFAOYSA-N 0 0 338.407 4.461 50 0 EIAARN C[C@H]1C[C@@H](c2ccccc2F)N(c2nccc(C(F)(F)F)n2)C1 ZINC000078503129 217065076 /nfs/dbraw/zinc/06/50/76/217065076.db2.gz YFUCARQGLFTVRO-GWCFXTLKSA-N 0 0 325.309 4.222 50 0 EIAARN CN(C(=O)C[C@@H]1C=CCC1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000078509916 217066199 /nfs/dbraw/zinc/06/61/99/217066199.db2.gz KIKASDIMWZUVLS-JLTOFOAXSA-N 0 0 342.389 4.264 50 0 EIAARN Cc1csc(N(C(=O)/C=C/c2cncc(F)c2)c2ccccc2)n1 ZINC000078551773 217074012 /nfs/dbraw/zinc/07/40/12/217074012.db2.gz ZLNYVLMZYHUYOP-BQYQJAHWSA-N 0 0 339.395 4.364 50 0 EIAARN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](C)CC3)ccc21 ZINC000078482896 217059950 /nfs/dbraw/zinc/05/99/50/217059950.db2.gz PCYHUEBCUOEWCS-HNNXBMFYSA-N 0 0 342.483 4.167 50 0 EIAARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)cc(C)c1OC(F)F ZINC000078562108 217077059 /nfs/dbraw/zinc/07/70/59/217077059.db2.gz SWCMMNAZVAEOTJ-ZDUSSCGKSA-N 0 0 334.366 4.133 50 0 EIAARN C[C@@H](Nc1cncc(Br)c1)c1cccc(-n2ccnc2)c1 ZINC000078569715 217078481 /nfs/dbraw/zinc/07/84/81/217078481.db2.gz BIKBNWRSJISWTM-GFCCVEGCSA-N 0 0 343.228 4.203 50 0 EIAARN CCOC1CCN(C(=O)N[C@@H](C)c2csc3ccccc32)CC1 ZINC000078602544 217084167 /nfs/dbraw/zinc/08/41/67/217084167.db2.gz JDOXMJODFCXFSU-ZDUSSCGKSA-N 0 0 332.469 4.173 50 0 EIAARN Cc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CCCC2)cn1 ZINC000078648556 217094253 /nfs/dbraw/zinc/09/42/53/217094253.db2.gz QHHOYWSPQPTXEN-UHFFFAOYSA-N 0 0 340.442 4.086 50 0 EIAARN Cc1cc(C)c2sc(NC(=O)Cc3ccc(Cl)cc3)nc2n1 ZINC000017014093 211945244 /nfs/dbraw/zinc/94/52/44/211945244.db2.gz QEGSNYCEROAYCW-UHFFFAOYSA-N 0 0 331.828 4.143 50 0 EIAARN O=C(Nc1cccc2ccccc21)N1CCOC[C@H]1c1ccccc1 ZINC000078936266 217151269 /nfs/dbraw/zinc/15/12/69/217151269.db2.gz AKHDTFBFVLRTBG-FQEVSTJZSA-N 0 0 332.403 4.445 50 0 EIAARN COc1cc(NC(=O)c2ccco2)ccc1NC(=O)C1CCCCC1 ZINC000016527395 211912095 /nfs/dbraw/zinc/91/20/95/211912095.db2.gz VUBQFBXNXJNMRG-UHFFFAOYSA-N 0 0 342.395 4.059 50 0 EIAARN Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)C1CCCCC1 ZINC000016527384 211912124 /nfs/dbraw/zinc/91/21/24/211912124.db2.gz RCGWOAZYTDITFT-UHFFFAOYSA-N 0 0 326.396 4.359 50 0 EIAARN CC(C)N(C(=O)c1cc(-c2cc(F)ccc2F)no1)c1cccnc1 ZINC000079092543 217190767 /nfs/dbraw/zinc/19/07/67/217190767.db2.gz CWYFBEAYESQVDW-UHFFFAOYSA-N 0 0 343.333 4.070 50 0 EIAARN CCOc1cc2c(cc1NC(=O)/C=C/c1ccc(C)s1)O[C@@H](C)C2 ZINC000016303014 211894932 /nfs/dbraw/zinc/89/49/32/211894932.db2.gz QAJLDEYXBPICCH-GUOLPTJISA-N 0 0 343.448 4.431 50 0 EIAARN O=S(=O)(Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000016101212 211885153 /nfs/dbraw/zinc/88/51/53/211885153.db2.gz 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/nfs/dbraw/zinc/85/75/04/211857504.db2.gz CSKMBQVMYCEHNS-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN CCCc1nnc(SCc2cc(=O)oc3cc(C)c(Cl)cc23)[nH]1 ZINC000011807875 211247463 /nfs/dbraw/zinc/24/74/63/211247463.db2.gz TUEVFIYFOJVLFZ-UHFFFAOYSA-N 0 0 349.843 4.118 50 0 EIAARN Cc1ccccc1CSc1nc(=O)n(-c2ccccc2)c2c1CCC2 ZINC000015840409 211860600 /nfs/dbraw/zinc/86/06/00/211860600.db2.gz HGKWUFRDBFSOHH-UHFFFAOYSA-N 0 0 348.471 4.322 50 0 EIAARN Cc1ccc([C@@H](CC(=O)NCCc2ccccc2)n2cccc2)cc1 ZINC000015771161 211849924 /nfs/dbraw/zinc/84/99/24/211849924.db2.gz PMTCOYVMZAHNDC-OAQYLSRUSA-N 0 0 332.447 4.135 50 0 EIAARN C[C@@H](NC(=O)c1ncoc1-c1cccc(Cl)c1)c1ccccc1 ZINC000015782293 211852649 /nfs/dbraw/zinc/85/26/49/211852649.db2.gz VGOAEEHUAXVKOL-GFCCVEGCSA-N 0 0 326.783 4.486 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)N(C)c3ccccc3C)c1CO2 ZINC000015677641 211842674 /nfs/dbraw/zinc/84/26/74/211842674.db2.gz FPSCOAIHZTXZCL-UHFFFAOYSA-N 0 0 334.375 4.127 50 0 EIAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)cc1F ZINC000015671789 211839742 /nfs/dbraw/zinc/83/97/42/211839742.db2.gz HMGDFWRJFOEIIB-MRXNPFEDSA-N 0 0 333.382 4.464 50 0 EIAARN O=C(Nc1cccc2c1CCCC2)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000015582646 211832978 /nfs/dbraw/zinc/83/29/78/211832978.db2.gz UWPMHYHYRUSHEC-SFHVURJKSA-N 0 0 327.811 4.161 50 0 EIAARN Cc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O ZINC000015608078 211834785 /nfs/dbraw/zinc/83/47/85/211834785.db2.gz XXDDQIXSELSFAK-UHFFFAOYSA-N 0 0 346.789 4.167 50 0 EIAARN CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000015561130 211830443 /nfs/dbraw/zinc/83/04/43/211830443.db2.gz HZFDAYPQHNPZBM-LFYBBSHMSA-N 0 0 326.371 4.072 50 0 EIAARN Cc1ccc(NC(=O)C[C@H]2CC(=O)Oc3cccc(Cl)c32)c(C)c1 ZINC000080345798 217298891 /nfs/dbraw/zinc/29/88/91/217298891.db2.gz HEULDVZCWYIPME-ZDUSSCGKSA-N 0 0 343.810 4.378 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(C)cc1F ZINC000015123700 211804119 /nfs/dbraw/zinc/80/41/19/211804119.db2.gz IGJCXWYESUSEFL-UHFFFAOYSA-N 0 0 336.794 4.155 50 0 EIAARN O=C(C[C@H](c1ccccc1)c1ccccc1F)NCCc1ccncc1 ZINC000015069337 211796858 /nfs/dbraw/zinc/79/68/58/211796858.db2.gz HUEJLLRMUBEBDE-HXUWFJFHSA-N 0 0 348.421 4.102 50 0 EIAARN CCOc1c(C[C@H]2C(=O)Nc3ccc(Cl)cc32)cccc1OC ZINC000015017807 211789615 /nfs/dbraw/zinc/78/96/15/211789615.db2.gz GZEMDGWGICCDIL-CQSZACIVSA-N 0 0 331.799 4.026 50 0 EIAARN Cc1cc(C)n([C@@H](C)C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000081000273 217349282 /nfs/dbraw/zinc/34/92/82/217349282.db2.gz OFCGXLRXCRPVCZ-SJORKVTESA-N 0 0 348.450 4.000 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000014956783 211776343 /nfs/dbraw/zinc/77/63/43/211776343.db2.gz WKNOHEWTAUNLCC-QGZVFWFLSA-N 0 0 332.806 4.196 50 0 EIAARN CCc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000014247065 211720141 /nfs/dbraw/zinc/72/01/41/211720141.db2.gz UMVDPIZETVAQGV-FQEVSTJZSA-N 0 0 334.419 4.152 50 0 EIAARN C[C@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(Cl)cc1 ZINC000014180825 211700953 /nfs/dbraw/zinc/70/09/53/211700953.db2.gz 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ZINC000012866933 211473326 /nfs/dbraw/zinc/47/33/26/211473326.db2.gz OJAVBCQAGGSYDY-UHFFFAOYSA-N 0 0 336.391 4.148 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000012864760 211472306 /nfs/dbraw/zinc/47/23/06/211472306.db2.gz VIWMHGXDQLBZBT-HNNXBMFYSA-N 0 0 344.499 4.423 50 0 EIAARN CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)OCCCO2 ZINC000012798887 211460193 /nfs/dbraw/zinc/46/01/93/211460193.db2.gz KELNZVLCUPWFDJ-UHFFFAOYSA-N 0 0 325.408 4.225 50 0 EIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)c1ccccc1F ZINC000012796376 211458876 /nfs/dbraw/zinc/45/88/76/211458876.db2.gz LBXFZOCUXVMLQW-CHWSQXEVSA-N 0 0 335.806 4.432 50 0 EIAARN Cc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000012791296 211456992 /nfs/dbraw/zinc/45/69/92/211456992.db2.gz OQHNBPQELIZAOL-UHFFFAOYSA-N 0 0 345.324 4.452 50 0 EIAARN CCCc1ccc2oc(C(=O)N3CCC[C@H](COC)C3)c(C)c2c1 ZINC000012744085 211442482 /nfs/dbraw/zinc/44/24/82/211442482.db2.gz LKAHOJPUCFSDIJ-INIZCTEOSA-N 0 0 329.440 4.192 50 0 EIAARN Cc1ccccc1-c1noc(CSc2ncnc3ccsc32)n1 ZINC000012698705 211434852 /nfs/dbraw/zinc/43/48/52/211434852.db2.gz CXYMQWGNMALDCU-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000012658736 211430357 /nfs/dbraw/zinc/43/03/57/211430357.db2.gz FMNPCVNWRFPDCA-XKRYSZRTSA-N 0 0 328.452 4.483 50 0 biogenic EIAARN CCCOc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012628437 211426005 /nfs/dbraw/zinc/42/60/05/211426005.db2.gz RAFPBZYUNFSKDB-IBGZPJMESA-N 0 0 349.434 4.329 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C)cc3F)c12 ZINC000012769795 211450743 /nfs/dbraw/zinc/45/07/43/211450743.db2.gz HKTLNUTWSRBKFB-UHFFFAOYSA-N 0 0 325.343 4.108 50 0 EIAARN CCOc1ccc(-c2nc(NC(=O)c3ccccn3)sc2C)cc1 ZINC000012766976 211449354 /nfs/dbraw/zinc/44/93/54/211449354.db2.gz BIIYIOWBMSFESX-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN c1cc(-c2noc(CN3CCc4sccc4[C@H]3C3CC3)n2)cs1 ZINC000012758507 211448799 /nfs/dbraw/zinc/44/87/99/211448799.db2.gz 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/nfs/dbraw/zinc/42/00/18/211420018.db2.gz UJPQGBQGZXFSQC-UHFFFAOYSA-N 0 0 329.421 4.361 50 0 EIAARN O=C(Nc1ccccc1O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012527375 211399094 /nfs/dbraw/zinc/39/90/94/211399094.db2.gz RXMOBJSCFJWAHW-UHFFFAOYSA-N 0 0 341.370 4.255 50 0 EIAARN C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)cc1Cl ZINC000012520203 211397541 /nfs/dbraw/zinc/39/75/41/211397541.db2.gz KFANLEDAYCGQJH-SECBINFHSA-N 0 0 334.206 4.361 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1C[C@H]1CCCO1 ZINC000012517387 211396727 /nfs/dbraw/zinc/39/67/27/211396727.db2.gz RNHVANYOFSTJSF-ACJLOTCBSA-N 0 0 342.826 4.086 50 0 EIAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)CC[C@H]1CCCCO1 ZINC000012476946 211392255 /nfs/dbraw/zinc/39/22/55/211392255.db2.gz XWSWIKGEFDMAIP-MRXNPFEDSA-N 0 0 329.440 4.389 50 0 EIAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)s1 ZINC000012465959 211390429 /nfs/dbraw/zinc/39/04/29/211390429.db2.gz GKDZPIIXQCOSBN-KRWDZBQOSA-N 0 0 341.476 4.436 50 0 EIAARN CCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012441810 211383499 /nfs/dbraw/zinc/38/34/99/211383499.db2.gz FLQYMXHVXKWXJL-UHFFFAOYSA-N 0 0 346.843 4.306 50 0 EIAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000012377870 211360436 /nfs/dbraw/zinc/36/04/36/211360436.db2.gz IMRXUDBZTAXAGF-IYBDPMFKSA-N 0 0 335.513 4.401 50 0 EIAARN CCOC(=O)c1sc2nc(C)ccc2c1NC(=O)c1cccs1 ZINC000012413694 211373622 /nfs/dbraw/zinc/37/36/22/211373622.db2.gz JZMSTRLVWFTPIZ-UHFFFAOYSA-N 0 0 346.433 4.095 50 0 EIAARN C=Cc1ccc(CSc2nccn(-c3ccc(C)cc3)c2=O)cc1 ZINC000012415912 211373270 /nfs/dbraw/zinc/37/32/70/211373270.db2.gz YPPYGONGKUUCKS-UHFFFAOYSA-N 0 0 334.444 4.476 50 0 EIAARN CN(C(=O)c1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1 ZINC000012404470 211369483 /nfs/dbraw/zinc/36/94/83/211369483.db2.gz GALWTWAEQIRZFU-UHFFFAOYSA-N 0 0 348.377 4.355 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 ZINC000012404268 211369520 /nfs/dbraw/zinc/36/95/20/211369520.db2.gz YHKUWZDOZNPDMN-GOSISDBHSA-N 0 0 340.423 4.140 50 0 EIAARN 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CC(C)c1ccc(N[C@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)cc1 ZINC000012308738 211341629 /nfs/dbraw/zinc/34/16/29/211341629.db2.gz UXBIFDGIJPQITP-IWGBCORSSA-N 0 0 349.478 4.321 50 0 EIAARN CC1(C(=O)NC[C@@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)CC1 ZINC000012279290 211333903 /nfs/dbraw/zinc/33/39/03/211333903.db2.gz UXVQITJDHYYTKM-AWEZNQCLSA-N 0 0 347.867 4.288 50 0 EIAARN CCCc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccccc1 ZINC000012274647 211331414 /nfs/dbraw/zinc/33/14/14/211331414.db2.gz OZWHPRBNJWRUFY-UHFFFAOYSA-N 0 0 334.423 4.089 50 0 EIAARN CC(C)c1ccc(Cc2cc(C(=O)NC(C3CC3)C3CC3)on2)cc1 ZINC000012213452 211323072 /nfs/dbraw/zinc/32/30/72/211323072.db2.gz HAQKGIPGDKQGHL-UHFFFAOYSA-N 0 0 338.451 4.307 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 ZINC000012138839 211303970 /nfs/dbraw/zinc/30/39/70/211303970.db2.gz WSJIMPVIWVXJHO-AWEZNQCLSA-N 0 0 340.423 4.465 50 0 EIAARN COc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1OC ZINC000012157766 211308745 /nfs/dbraw/zinc/30/87/45/211308745.db2.gz RZMZPCOSOJYKBV-UHFFFAOYSA-N 0 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FBMVEZFFGAGQAM-KOJMWDNASA-N 0 0 339.439 4.350 50 0 EIAARN Cc1ccc(C)c(C(=O)CSc2nnc(NCC(C)C)s2)c1 ZINC000007249998 210774074 /nfs/dbraw/zinc/77/40/74/210774074.db2.gz HSNKYJPXDMBMKV-UHFFFAOYSA-N 0 0 335.498 4.198 50 0 EIAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1Cl ZINC000007242314 210772980 /nfs/dbraw/zinc/77/29/80/210772980.db2.gz ACCVFYLBGOLZBZ-LLVKDONJSA-N 0 0 332.806 4.407 50 0 EIAARN CCOC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000007234157 210772023 /nfs/dbraw/zinc/77/20/23/210772023.db2.gz VDFHJIHGWPJTBF-UHFFFAOYSA-N 0 0 344.461 4.322 50 0 EIAARN O=C(OCc1nc(-c2cccs2)no1)c1csc2c1CCCC2 ZINC000007211079 210769433 /nfs/dbraw/zinc/76/94/33/210769433.db2.gz ZKDKVOUFEMJHIY-UHFFFAOYSA-N 0 0 346.433 4.095 50 0 EIAARN Cc1cccc(CSc2nccn(-c3cccc(Cl)c3)c2=O)c1 ZINC000006915364 210742204 /nfs/dbraw/zinc/74/22/04/210742204.db2.gz BDKCJCQYKDCHNS-UHFFFAOYSA-N 0 0 342.851 4.487 50 0 EIAARN Cc1ccc2c(=O)cc(C(=O)Nc3cccc(Cl)c3)oc2c1C ZINC000006811344 210720150 /nfs/dbraw/zinc/72/01/50/210720150.db2.gz UGOIAGBHTYDNJZ-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN O=S(=O)(Cc1ccccc1)NCc1ccccc1-c1ccsc1 ZINC000096122965 218614720 /nfs/dbraw/zinc/61/47/20/218614720.db2.gz HBJTWZBZICGDOG-UHFFFAOYSA-N 0 0 343.473 4.035 50 0 EIAARN Brc1cccc(CSc2nnc(-c3ccncc3)o2)c1 ZINC000006859596 210730071 /nfs/dbraw/zinc/73/00/71/210730071.db2.gz KXZXXFICZUIBPN-UHFFFAOYSA-N 0 0 348.225 4.186 50 0 EIAARN Cc1nn(CCc2nc(C3CC3)nn2C2CCCCC2)c(C)c1C ZINC000096139034 218621562 /nfs/dbraw/zinc/62/15/62/218621562.db2.gz CHNDRLDHUXVTCX-UHFFFAOYSA-N 0 0 327.476 4.025 50 0 EIAARN CC(C)c1nn(-c2ccccc2)c(C(C)C)c1C(=O)N1CCCC1 ZINC000006771213 210706401 /nfs/dbraw/zinc/70/64/01/210706401.db2.gz AKXPASCZBNTQHY-UHFFFAOYSA-N 0 0 325.456 4.355 50 0 EIAARN C[C@H](NC(=S)NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000006763590 210705993 /nfs/dbraw/zinc/70/59/93/210705993.db2.gz KKWVPEDVGLWNGA-YLSINNKHSA-N 0 0 344.867 4.105 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2nc(SC(C)C)ncc2Cl)c1 ZINC000006748059 210700478 /nfs/dbraw/zinc/70/04/78/210700478.db2.gz IFXOSQQKIXSNEF-UHFFFAOYSA-N 0 0 335.860 4.500 50 0 EIAARN COc1ccc2oc(=O)cc(CN(C)c3c(C)cc(C)cc3C)c2c1 ZINC000006743175 210697488 /nfs/dbraw/zinc/69/74/88/210697488.db2.gz UMSZCWWXWZGKFW-UHFFFAOYSA-N 0 0 337.419 4.363 50 0 EIAARN Cc1nnc(-c2cccc(-c3cccc(C(=O)N4CCCC4)c3)c2)s1 ZINC000096153876 218630114 /nfs/dbraw/zinc/63/01/14/218630114.db2.gz PQWQETYIEYISFP-UHFFFAOYSA-N 0 0 349.459 4.417 50 0 EIAARN Cc1nc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C(C)C)cs1 ZINC000096160082 218635229 /nfs/dbraw/zinc/63/52/29/218635229.db2.gz URKGMICUCVIDBZ-GOSISDBHSA-N 0 0 339.464 4.328 50 0 EIAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000006698105 210682565 /nfs/dbraw/zinc/68/25/65/210682565.db2.gz MJCBJRXMDZWLSO-UHFFFAOYSA-N 0 0 349.434 4.306 50 0 EIAARN CCn1cc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)cn1 ZINC000096183831 218646297 /nfs/dbraw/zinc/64/62/97/218646297.db2.gz RBGGJMHIQJEOEQ-UHFFFAOYSA-N 0 0 331.759 4.194 50 0 EIAARN O=S(=O)(Cc1ccccc1Cl)N1CCCCc2ccccc21 ZINC000006668280 210675071 /nfs/dbraw/zinc/67/50/71/210675071.db2.gz DCCCLDHKZJEJKT-UHFFFAOYSA-N 0 0 335.856 4.013 50 0 EIAARN CC(C)Oc1ccccc1NC(=O)N1CCC[C@H]1c1nccs1 ZINC000096165822 218639951 /nfs/dbraw/zinc/63/99/51/218639951.db2.gz RQPRJDKYSKHVMY-AWEZNQCLSA-N 0 0 331.441 4.299 50 0 EIAARN CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2 ZINC000006562951 210655280 /nfs/dbraw/zinc/65/52/80/210655280.db2.gz RATOWXDDJZAXFA-UHFFFAOYSA-N 0 0 334.485 4.038 50 0 EIAARN Cc1c(Cl)ccc2c(C(=O)n3cccn3)cc(-c3cccnc3)nc12 ZINC000006527115 210647858 /nfs/dbraw/zinc/64/78/58/210647858.db2.gz JACRDVWEGJPRCF-UHFFFAOYSA-N 0 0 348.793 4.144 50 0 EIAARN O=c1nc(C=Cc2cccc(O)c2)[nH]c2sc3c(c21)CCCCC3 ZINC000006509863 210645086 /nfs/dbraw/zinc/64/50/86/210645086.db2.gz GHENAVPDGPNEBE-MDZDMXLPSA-N 0 0 338.432 4.130 50 0 EIAARN FC(F)(F)c1ccccc1N1C(=S)N=NC1CCc1ccccc1 ZINC000006402879 210629657 /nfs/dbraw/zinc/62/96/57/210629657.db2.gz AKLGFUXCSBTIAV-UHFFFAOYSA-N 0 0 349.381 4.360 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)C[C@@H](CC)CC2 ZINC000006122609 210592514 /nfs/dbraw/zinc/59/25/14/210592514.db2.gz ZCFHATQYVZPOQU-NSHDSACASA-N 0 0 337.485 4.424 50 0 EIAARN Cc1c([C@H](C)NC(=O)/C=C\c2cccc(-c3ccccc3)c2)cnn1C ZINC000096298019 218740838 /nfs/dbraw/zinc/74/08/38/218740838.db2.gz MXAPQDMTCVVRCO-AHKFDXCISA-N 0 0 345.446 4.286 50 0 EIAARN O=C(NCCCn1ccc2cccnc21)c1cc(Cl)ccc1Cl ZINC000096353349 218745679 /nfs/dbraw/zinc/74/56/79/218745679.db2.gz RCIWFZAYFKKCAN-UHFFFAOYSA-N 0 0 348.233 4.163 50 0 EIAARN COCc1c(Br)cccc1NC(=O)N(C)CC(C)(C)C ZINC000096403450 218752198 /nfs/dbraw/zinc/75/21/98/218752198.db2.gz ASENPRAHXGQSRG-UHFFFAOYSA-N 0 0 343.265 4.105 50 0 EIAARN CC(C)Cc1nnc([C@H](C)Sc2ncccc2Br)o1 ZINC000096411953 218767879 /nfs/dbraw/zinc/76/78/79/218767879.db2.gz WKSWVIIIBSDGKM-VIFPVBQESA-N 0 0 342.262 4.279 50 0 EIAARN FC(F)(F)c1ccc(Cl)c(N2C(=S)N=NC2c2ccco2)c1 ZINC000005927219 210560930 /nfs/dbraw/zinc/56/09/30/210560930.db2.gz CPCPIAGAKLVLHU-UHFFFAOYSA-N 0 0 345.733 4.488 50 0 EIAARN COC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc(OC)cc2)n1 ZINC000005910986 210557738 /nfs/dbraw/zinc/55/77/38/210557738.db2.gz DLJSIHKHRSSGNV-UHFFFAOYSA-N 0 0 332.359 4.178 50 0 biogenic EIAARN CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)cc1 ZINC000005908867 210556927 /nfs/dbraw/zinc/55/69/27/210556927.db2.gz MVZCTJPTNLVOJC-INIZCTEOSA-N 0 0 330.453 4.126 50 0 EIAARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc[nH]1 ZINC000005780823 210534854 /nfs/dbraw/zinc/53/48/54/210534854.db2.gz FFMQIWLNMFWSGH-UHFFFAOYSA-N 0 0 337.219 4.314 50 0 EIAARN Cc1c(CNC(=O)N[C@@H](c2nccs2)C2CC2)oc2ccccc12 ZINC000096440333 218820864 /nfs/dbraw/zinc/82/08/64/218820864.db2.gz GASSZVJFMLCMIC-MRXNPFEDSA-N 0 0 341.436 4.148 50 0 EIAARN C[C@@H]1C[C@H]1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000005693433 210518675 /nfs/dbraw/zinc/51/86/75/210518675.db2.gz NODMWGQCDYQKDU-CZUORRHYSA-N 0 0 333.387 4.217 50 0 EIAARN CC(C)(C)c1ccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000005655887 210509344 /nfs/dbraw/zinc/50/93/44/210509344.db2.gz IAOKAVQMPRYNLV-UHFFFAOYSA-N 0 0 345.826 4.259 50 0 EIAARN Cc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000096446172 218828888 /nfs/dbraw/zinc/82/88/88/218828888.db2.gz IAAPWCDVNCBMGX-OZAJXLCCSA-N 0 0 348.443 4.096 50 0 EIAARN C[C@@H](CNC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000005617083 210503000 /nfs/dbraw/zinc/50/30/00/210503000.db2.gz ZNDOJRUGWVJAON-LBPRGKRZSA-N 0 0 338.234 4.292 50 0 EIAARN COc1cc(C)c(NC(=O)Cc2cccc3ccccc32)cc1OC ZINC000005616710 210502253 /nfs/dbraw/zinc/50/22/53/210502253.db2.gz NEEFDVFNZKHNTR-UHFFFAOYSA-N 0 0 335.403 4.347 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000005610260 210500395 /nfs/dbraw/zinc/50/03/95/210500395.db2.gz SJODBBCBYJAHBZ-UHFFFAOYSA-N 0 0 338.190 4.341 50 0 EIAARN c1csc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)c1 ZINC000005575845 210493501 /nfs/dbraw/zinc/49/35/01/210493501.db2.gz RAPXSDWLIGKFFK-LPHOPBHVSA-N 0 0 333.416 4.385 50 0 EIAARN FC(F)(F)C1(C(F)(F)F)OC(Cl)(Cl)C(Cl)(Cl)O1 ZINC000005566464 210490129 /nfs/dbraw/zinc/49/01/29/210490129.db2.gz RSNKMTZZWVFGES-UHFFFAOYSA-N 0 0 347.853 4.117 50 0 EIAARN Cc1ccccc1-c1nc(C[S@@](=O)[C@H](C)c2ccc(F)cc2)no1 ZINC000096471497 218849334 /nfs/dbraw/zinc/84/93/34/218849334.db2.gz CVISHJYCBKGXMF-OZAJXLCCSA-N 0 0 344.411 4.194 50 0 EIAARN COc1ccc(NC(=O)c2c(Cl)cccc2Cl)c(OC)c1 ZINC000005513338 210478720 /nfs/dbraw/zinc/47/87/20/210478720.db2.gz CDDLGDDDEQAYGU-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCn1nc(NC(=O)c2ccccc2F)c2cc3cc(C)ccc3nc21 ZINC000005499111 210476419 /nfs/dbraw/zinc/47/64/19/210476419.db2.gz PWJQMUDYLGODBU-UHFFFAOYSA-N 0 0 348.381 4.304 50 0 EIAARN CCSc1cc(Cl)ccc1C(=O)O[C@H](C)c1nnc(C)o1 ZINC000096503103 218879974 /nfs/dbraw/zinc/87/99/74/218879974.db2.gz XBYYPSGMXBZKPX-MRVPVSSYSA-N 0 0 326.805 4.061 50 0 EIAARN Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000005407877 210458892 /nfs/dbraw/zinc/45/88/92/210458892.db2.gz GWDPWALJBYJNBZ-FQEVSTJZSA-N 0 0 339.435 4.283 50 0 EIAARN COc1ccccc1/C=C(\C(=O)OCc1cc(C)on1)c1ccccc1 ZINC000096876553 218895619 /nfs/dbraw/zinc/89/56/19/218895619.db2.gz NBSYNYNOPUVBSJ-UYRXBGFRSA-N 0 0 349.386 4.276 50 0 EIAARN Cc1ccc(/C=C2/SC(=O)N(CNc3cccc(C)c3)C2=O)o1 ZINC000005334435 210441799 /nfs/dbraw/zinc/44/17/99/210441799.db2.gz ZHOVBVSKLAUEOY-OQLLNIDSSA-N 0 0 328.393 4.002 50 0 EIAARN Nc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccncc3)n2)cc1 ZINC000005335758 210441568 /nfs/dbraw/zinc/44/15/68/210441568.db2.gz XPIKNBNARYDNDT-UHFFFAOYSA-N 0 0 339.402 4.037 50 0 EIAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1cnn(Cc2ccccc2)c1 ZINC000096919808 218899128 /nfs/dbraw/zinc/89/91/28/218899128.db2.gz BPPKDHILBTWVAZ-IUXPMGMMSA-N 0 0 335.794 4.078 50 0 EIAARN C(=C\c1ccccc1)\CSc1nncn1CCc1cccs1 ZINC000096931270 218901481 /nfs/dbraw/zinc/90/14/81/218901481.db2.gz OLBJMWVJPJLFOS-YWEYNIOJSA-N 0 0 327.478 4.388 50 0 EIAARN COc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2ccccc2)cc1OC ZINC000096937039 218902790 /nfs/dbraw/zinc/90/27/90/218902790.db2.gz XRQMQPGFHHTUSP-FWFZHJKVSA-N 0 0 337.419 4.081 50 0 EIAARN COc1cc2nc(C(Cl)=Cc3ccccc3)[nH]c(=O)c2cc1OC ZINC000096759017 218889066 /nfs/dbraw/zinc/88/90/66/218889066.db2.gz DRKZXOKMIWAEJK-MDWZMJQESA-N 0 0 342.782 4.090 50 0 EIAARN O=C(NCC1CC1)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000096996643 218910484 /nfs/dbraw/zinc/91/04/84/218910484.db2.gz XPRJVFKEIKOBIB-QINSGFPZSA-N 0 0 344.414 4.454 50 0 EIAARN O=C(Nc1ccnn1Cc1ccccc1)c1ccc2ccccc2c1 ZINC000005256300 210426045 /nfs/dbraw/zinc/42/60/45/210426045.db2.gz XNOMWFYVXAJBQN-UHFFFAOYSA-N 0 0 327.387 4.337 50 0 EIAARN COc1ccc(Cl)c2sc(NC(=O)c3cccc(F)c3)nc21 ZINC000005256567 210425623 /nfs/dbraw/zinc/42/56/23/210425623.db2.gz DHHFNHXIFCJCLH-UHFFFAOYSA-N 0 0 336.775 4.350 50 0 EIAARN CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000005235872 210419034 /nfs/dbraw/zinc/41/90/34/210419034.db2.gz UFHOPBRMYVQDNJ-UHFFFAOYSA-N 0 0 349.478 4.061 50 0 EIAARN CCn1c(=O)c2ccccc2nc1SCc1cc(C)ccc1OC ZINC000005282124 210433224 /nfs/dbraw/zinc/43/32/24/210433224.db2.gz WXEQZJANZBNENH-UHFFFAOYSA-N 0 0 340.448 4.026 50 0 EIAARN Cc1cccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)c1 ZINC000005269982 210431555 /nfs/dbraw/zinc/43/15/55/210431555.db2.gz BRWYPLWCNYXQPW-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(C)(C)C ZINC000005136926 210398451 /nfs/dbraw/zinc/39/84/51/210398451.db2.gz XHMZYQXDOZOLEI-UHFFFAOYSA-N 0 0 336.888 4.477 50 0 EIAARN COc1cccc2cc(C(=O)Nc3cc(Cl)ccc3C)c(=O)oc21 ZINC000005092241 210387642 /nfs/dbraw/zinc/38/76/42/210387642.db2.gz UYGUMHACBNMZBF-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN Cn1c2ccccc2s/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000005128517 210396723 /nfs/dbraw/zinc/39/67/23/210396723.db2.gz TZXIVFNVWDZAAS-SDXDJHTJSA-N 0 0 337.231 4.288 50 0 EIAARN Cc1oc(-c2ccccc2F)nc1CSCC(=O)NC1CCCC1 ZINC000005057608 210378390 /nfs/dbraw/zinc/37/83/90/210378390.db2.gz YOUMCRDXISFGKQ-UHFFFAOYSA-N 0 0 348.443 4.081 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)n1cccc1 ZINC000005055415 210377698 /nfs/dbraw/zinc/37/76/98/210377698.db2.gz CUXADADULMFJCE-LJQANCHMSA-N 0 0 338.838 4.242 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cccc2)cc1 ZINC000005055246 210377800 /nfs/dbraw/zinc/37/78/00/210377800.db2.gz GKRQXWIMYLOARX-HXUWFJFHSA-N 0 0 332.403 4.113 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2csc3c2CCCCC3)cc1 ZINC000005070341 210383080 /nfs/dbraw/zinc/38/30/80/210383080.db2.gz TZJMLJUPAFNRLZ-UHFFFAOYSA-N 0 0 343.448 4.446 50 0 EIAARN CCOc1ccc(CCNC(=O)c2csc3c2CCCCC3)cc1 ZINC000005070492 210382628 /nfs/dbraw/zinc/38/26/28/210382628.db2.gz XSHPOZBZZBXDNL-UHFFFAOYSA-N 0 0 343.492 4.388 50 0 EIAARN Cc1noc(C)c1COc1cccc(C(=O)NC2CCCCCC2)c1 ZINC000005062417 210380554 /nfs/dbraw/zinc/38/05/54/210380554.db2.gz USYYUDFLESMJFJ-UHFFFAOYSA-N 0 0 342.439 4.323 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)CSCc1nc2ccccc2s1 ZINC000005062672 210379711 /nfs/dbraw/zinc/37/97/11/210379711.db2.gz CIJCSNHYAHRNAI-STQMWFEESA-N 0 0 334.510 4.224 50 0 EIAARN CC1(CNc2cccc(C[S@@](=O)C3CCCCC3)c2)CCOCC1 ZINC000097113516 218961717 /nfs/dbraw/zinc/96/17/17/218961717.db2.gz UZRQLORSCBPYGD-DEOSSOPVSA-N 0 0 349.540 4.497 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc2ccccc2c1 ZINC000005031848 210369377 /nfs/dbraw/zinc/36/93/77/210369377.db2.gz HSKJXPPLCFKTDU-UHFFFAOYSA-N 0 0 341.823 4.015 50 0 EIAARN c1ccc(-n2c(SCc3ccncc3)nnc2-c2cccnc2)cc1 ZINC000005033144 210368534 /nfs/dbraw/zinc/36/85/34/210368534.db2.gz NJOKAUCXXCLSBT-UHFFFAOYSA-N 0 0 345.431 4.017 50 0 EIAARN Cc1ccc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C ZINC000005016846 210361647 /nfs/dbraw/zinc/36/16/47/210361647.db2.gz IICWULFIEUNHSL-UHFFFAOYSA-N 0 0 329.509 4.481 50 0 EIAARN CC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000005013370 210361055 /nfs/dbraw/zinc/36/10/55/210361055.db2.gz PAJXDWUIJQNEKO-UHFFFAOYSA-N 0 0 345.807 4.363 50 0 EIAARN CCc1cc2c(ncn(Cc3ccc(C(C)(C)C)cc3)c2=O)s1 ZINC000005010017 210360119 /nfs/dbraw/zinc/36/01/19/210360119.db2.gz RUAFZXQTSUIFMF-UHFFFAOYSA-N 0 0 326.465 4.366 50 0 EIAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C1CC1 ZINC000005001105 210357929 /nfs/dbraw/zinc/35/79/29/210357929.db2.gz USIDQJMBSCEBER-UHFFFAOYSA-N 0 0 326.343 4.101 50 0 EIAARN Cc1ccc([C@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 ZINC000005002209 210357522 /nfs/dbraw/zinc/35/75/22/210357522.db2.gz IICCFJLNHLAZDY-MRXNPFEDSA-N 0 0 326.446 4.383 50 0 EIAARN CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1C ZINC000004994320 210352646 /nfs/dbraw/zinc/35/26/46/210352646.db2.gz WDTPIAAWBNEPLM-UHFFFAOYSA-N 0 0 348.446 4.478 50 0 EIAARN CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1 ZINC000004995238 210354620 /nfs/dbraw/zinc/35/46/20/210354620.db2.gz YRGCTVQNBSQBPI-UHFFFAOYSA-N 0 0 348.446 4.478 50 0 EIAARN Fc1cccc(Cn2cccc2C2=N[C@H](Cc3ccccc3)CO2)c1 ZINC000004970751 210343379 /nfs/dbraw/zinc/34/33/79/210343379.db2.gz PWUJSLSVZZIMTR-LJQANCHMSA-N 0 0 334.394 4.064 50 0 EIAARN COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)NC3=O)cc1 ZINC000004929091 210328009 /nfs/dbraw/zinc/32/80/09/210328009.db2.gz JGRFGABECGZTRN-SFHVURJKSA-N 0 0 347.418 4.042 50 0 EIAARN CC(=O)O[C@H]1C=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004921395 210324342 /nfs/dbraw/zinc/32/43/42/210324342.db2.gz UHKAWYVFEDUNRA-JHSHEYHPSA-N 0 0 346.511 4.488 50 0 EIAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(C)cn2)cc1 ZINC000004917166 210322999 /nfs/dbraw/zinc/32/29/99/210322999.db2.gz NZCMPQUAAQUJIH-HXUWFJFHSA-N 0 0 345.402 4.170 50 0 EIAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)c(C)c1 ZINC000004917434 210322833 /nfs/dbraw/zinc/32/28/33/210322833.db2.gz IAVNGLAFPMVDDD-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(C)cn2)cc1 ZINC000004916845 210322839 /nfs/dbraw/zinc/32/28/39/210322839.db2.gz KFICOEOLIMSTFA-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN CC(=O)c1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000004914486 210322816 /nfs/dbraw/zinc/32/28/16/210322816.db2.gz DDFDAZBHRZZPHS-HXUWFJFHSA-N 0 0 346.386 4.249 50 0 EIAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccccn2)c(C)c1 ZINC000004916027 210322086 /nfs/dbraw/zinc/32/20/86/210322086.db2.gz VPDHCSQHVYOUGZ-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN CCOc1ccc(CCNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000007007413 208570725 /nfs/dbraw/zinc/57/07/25/208570725.db2.gz LNGSRMRQMKLGKU-UHFFFAOYSA-N 0 0 336.435 4.156 50 0 EIAARN COc1cc2c(cc1OC)[C@H](c1ccc3ccccc3c1)CC(=O)N2 ZINC000004910040 210321213 /nfs/dbraw/zinc/32/12/13/210321213.db2.gz NVLQBWJDTGMWCP-INIZCTEOSA-N 0 0 333.387 4.331 50 0 EIAARN Cc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)OC1CCCCCC1 ZINC000004913436 210320384 /nfs/dbraw/zinc/32/03/84/210320384.db2.gz VCRFLIUTGCKIHX-GOSISDBHSA-N 0 0 341.451 4.139 50 0 EIAARN CC(=O)Nc1ccc(SCC(=O)c2cc3ccccc3o2)cc1 ZINC000007028378 208572758 /nfs/dbraw/zinc/57/27/58/208572758.db2.gz FFXVURCOTDFJKA-UHFFFAOYSA-N 0 0 325.389 4.366 50 0 EIAARN CCCC[C@@H](CC)C(=O)NCCCCNC(=O)[C@H](CC)CCCC ZINC000004905233 210318747 /nfs/dbraw/zinc/31/87/47/210318747.db2.gz QRZVUHFUVORLGW-QZTJIDSGSA-N 0 0 340.552 4.432 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004903833 210317459 /nfs/dbraw/zinc/31/74/59/210317459.db2.gz IBSGQZGWUCTPMN-LFPRZYRFSA-N 0 0 327.468 4.479 50 0 EIAARN O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(F)c(F)c1 ZINC000004904280 210317170 /nfs/dbraw/zinc/31/71/70/210317170.db2.gz ZCJYWMUTODLWBU-UHFFFAOYSA-N 0 0 345.393 4.006 50 0 EIAARN Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2F)c1 ZINC000004900276 210315929 /nfs/dbraw/zinc/31/59/29/210315929.db2.gz SWOJFDXLOWKZHM-IBGZPJMESA-N 0 0 333.366 4.300 50 0 EIAARN CN(C)c1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000004896056 210314677 /nfs/dbraw/zinc/31/46/77/210314677.db2.gz LHZDANJCAQQHMT-UHFFFAOYSA-N 0 0 341.411 4.268 50 0 EIAARN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2SC)cc1 ZINC000004882870 210312207 /nfs/dbraw/zinc/31/22/07/210312207.db2.gz YFMCRDWTENBGKB-LGMDPLHJSA-N 0 0 338.432 4.192 50 0 EIAARN CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1C ZINC000004884437 210310920 /nfs/dbraw/zinc/31/09/20/210310920.db2.gz MWDVSQFICWQUPR-UHFFFAOYSA-N 0 0 348.446 4.478 50 0 EIAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C)cc1 ZINC000004854143 210300420 /nfs/dbraw/zinc/30/04/20/210300420.db2.gz WANYYFHINYYQKR-DIFFPNOSSA-N 0 0 328.799 4.238 50 0 EIAARN Cc1cccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1 ZINC000004853211 210300037 /nfs/dbraw/zinc/30/00/37/210300037.db2.gz POMIYAQMDCIZSV-UHFFFAOYSA-N 0 0 349.434 4.404 50 0 EIAARN CCC(=O)Oc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000004869844 210308425 /nfs/dbraw/zinc/30/84/25/210308425.db2.gz FKQNAYHBLUCFIO-UHFFFAOYSA-N 0 0 337.297 4.273 50 0 EIAARN CC1(C)Cc2ccccc2/C(=C/C(=O)Nc2ccccc2Cl)N1 ZINC000004860279 210305561 /nfs/dbraw/zinc/30/55/61/210305561.db2.gz RLRQKICTBZKWCL-BOPFTXTBSA-N 0 0 326.827 4.244 50 0 EIAARN CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 ZINC000004816496 210286115 /nfs/dbraw/zinc/28/61/15/210286115.db2.gz CDSJKPYQZWHOFL-RBUKOAKNSA-N 0 0 346.434 4.064 50 0 EIAARN CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000004814995 210285400 /nfs/dbraw/zinc/28/54/00/210285400.db2.gz WBRYXGGTCDIRTB-RBUKOAKNSA-N 0 0 346.434 4.002 50 0 EIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(C)c1 ZINC000004843319 210297115 /nfs/dbraw/zinc/29/71/15/210297115.db2.gz BIIYNEKCHWUEJT-UHFFFAOYSA-N 0 0 336.395 4.099 50 0 EIAARN CCc1nc(C)c(C(=O)N(C)CCSc2ccc(C)cc2)s1 ZINC000097370591 219016274 /nfs/dbraw/zinc/01/62/74/219016274.db2.gz GXVPAANHMSMIAE-UHFFFAOYSA-N 0 0 334.510 4.187 50 0 EIAARN Fc1ccccc1-c1nnc2sc(/C=C/c3cccs3)nn21 ZINC000004838347 210293958 /nfs/dbraw/zinc/29/39/58/210293958.db2.gz DITJWMMARQWHLR-BQYQJAHWSA-N 0 0 328.397 4.224 50 0 EIAARN COc1ccc(CCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004827940 210289344 /nfs/dbraw/zinc/28/93/44/210289344.db2.gz QLSQZEOBMUENQH-UHFFFAOYSA-N 0 0 331.415 4.335 50 0 EIAARN O=C(Nc1ccccc1)C(Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000004820670 210287887 /nfs/dbraw/zinc/28/78/87/210287887.db2.gz CLKSGEJRLWYYAB-UHFFFAOYSA-N 0 0 344.414 4.123 50 0 EIAARN COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@@]2(C)C1=CC[C@@H]2OC(C)=O ZINC000004821182 210287788 /nfs/dbraw/zinc/28/77/88/210287788.db2.gz LRTUTQVESNZNCY-SIJSFFJVSA-N 0 0 340.419 4.292 50 0 EIAARN CSC[C@H]1CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000097446928 219025547 /nfs/dbraw/zinc/02/55/47/219025547.db2.gz QZIQYWKJCCBVCW-LBPRGKRZSA-N 0 0 349.887 4.495 50 0 EIAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCc1ccccc1 ZINC000004814334 210284685 /nfs/dbraw/zinc/28/46/85/210284685.db2.gz RCKPAPHIPVYHFG-UHFFFAOYSA-N 0 0 338.451 4.176 50 0 EIAARN CCn1c(C)c(C=Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21 ZINC000004809821 210283659 /nfs/dbraw/zinc/28/36/59/210283659.db2.gz XQOXUAAIKKLRPD-OUKQBFOZSA-N 0 0 329.403 4.377 50 0 EIAARN Cc1cc(OC(=O)c2ccc(Cl)cc2)c2c(C)cc(=O)oc2c1 ZINC000004810767 210283724 /nfs/dbraw/zinc/28/37/24/210283724.db2.gz CRONBVCCTJUSSH-UHFFFAOYSA-N 0 0 328.751 4.282 50 0 EIAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(Cl)c1 ZINC000004785235 210278291 /nfs/dbraw/zinc/27/82/91/210278291.db2.gz VLUOMCLCESUUKB-UHFFFAOYSA-N 0 0 329.812 4.035 50 0 EIAARN Cc1csc([C@@H](C)N(C)C(=O)c2cc(-c3ccc(C)s3)n[nH]2)n1 ZINC000097522382 219032243 /nfs/dbraw/zinc/03/22/43/219032243.db2.gz PDHCUALSTFVEAU-LLVKDONJSA-N 0 0 346.481 4.045 50 0 EIAARN CCOc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 ZINC000004784121 210277568 /nfs/dbraw/zinc/27/75/68/210277568.db2.gz WNGDXUZQQJYJBQ-UHFFFAOYSA-N 0 0 338.432 4.385 50 0 EIAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1NC(=O)C1CCCC1 ZINC000004783422 210277451 /nfs/dbraw/zinc/27/74/51/210277451.db2.gz LJPARTXWZLDCFR-GJZGRUSLSA-N 0 0 328.456 4.218 50 0 EIAARN CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1cnc2ccccc2n1 ZINC000097600994 219038820 /nfs/dbraw/zinc/03/88/20/219038820.db2.gz IYPQNURZTXNFCY-LJQANCHMSA-N 0 0 337.423 4.096 50 0 EIAARN CCCC[C@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)OC ZINC000097600378 219038983 /nfs/dbraw/zinc/03/89/83/219038983.db2.gz MNSHCAUDSAYQBT-LBPRGKRZSA-N 0 0 340.832 4.214 50 0 EIAARN Cc1ncsc1CNC(=O)NC(c1cccs1)c1cccs1 ZINC000096415454 257834552 /nfs/dbraw/zinc/83/45/52/257834552.db2.gz MIYNKIQTSSMCHR-UHFFFAOYSA-N 0 0 349.506 4.163 50 0 EIAARN COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)c2ccccc2)c1 ZINC000040120577 257854223 /nfs/dbraw/zinc/85/42/23/257854223.db2.gz YZTWVEZHPJBIIK-LLVKDONJSA-N 0 0 336.338 4.179 50 0 EIAARN CSc1ccc(CN(C(=O)NCc2csc(C)n2)C2CC2)cc1 ZINC000426504475 257966171 /nfs/dbraw/zinc/96/61/71/257966171.db2.gz LKEQTZOIRANSTM-UHFFFAOYSA-N 0 0 347.509 4.048 50 0 EIAARN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)C[C@H]1CCOC1 ZINC000366519946 257929998 /nfs/dbraw/zinc/92/99/98/257929998.db2.gz ZLFUJKXXHATKGQ-PNCHPQGNSA-N 0 0 349.474 4.018 50 0 EIAARN COc1ccc(C(=O)Nc2cnccc2-c2cccc(F)c2)c(F)c1 ZINC000370291803 257930424 /nfs/dbraw/zinc/93/04/24/257930424.db2.gz QUNSQJUADUESKS-UHFFFAOYSA-N 0 0 340.329 4.288 50 0 EIAARN CCCc1occc1C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000281438426 257937238 /nfs/dbraw/zinc/93/72/38/257937238.db2.gz RYFVOYSESMSDSA-APWZRJJASA-N 0 0 345.414 4.364 50 0 EIAARN O=C(CSc1ccccc1)Nc1ccccc1[C@H](O)C(F)(F)F ZINC000408513849 257985073 /nfs/dbraw/zinc/98/50/73/257985073.db2.gz AAIWVXKAHWKEPC-HNNXBMFYSA-N 0 0 341.354 4.013 50 0 EIAARN COc1ccc(CN[C@@H](c2cccc3ccccc32)C(F)(F)F)nn1 ZINC000330032279 258002370 /nfs/dbraw/zinc/00/23/70/258002370.db2.gz LBWDFUZDEQYJBR-KRWDZBQOSA-N 0 0 347.340 4.032 50 0 EIAARN O=C(CCc1ccccn1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000280689598 258014503 /nfs/dbraw/zinc/01/45/03/258014503.db2.gz NEPMCHXGBOHIQF-CZIWCDLHSA-N 0 0 348.368 4.095 50 0 EIAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000334162330 258016020 /nfs/dbraw/zinc/01/60/20/258016020.db2.gz MLKRJBXJLPRPMW-MRXNPFEDSA-N 0 0 339.370 4.003 50 0 EIAARN Cc1cccc([C@H](NC(=O)CCCc2c[nH]c3ccccc23)C2CC2)n1 ZINC000299791507 258096994 /nfs/dbraw/zinc/09/69/94/258096994.db2.gz DZBFMVOPTOEKQD-JOCHJYFZSA-N 0 0 347.462 4.462 50 0 EIAARN CCCc1ncncc1C(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000299797201 258101037 /nfs/dbraw/zinc/10/10/37/258101037.db2.gz PEKNCBAIAYTPON-HNNXBMFYSA-N 0 0 343.858 4.102 50 0 EIAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 ZINC000000455670 258048276 /nfs/dbraw/zinc/04/82/76/258048276.db2.gz RLGSPYWWWGAYFM-LLVKDONJSA-N 0 0 346.427 4.172 50 0 EIAARN Cc1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1C ZINC000000465387 258048560 /nfs/dbraw/zinc/04/85/60/258048560.db2.gz MNUQMBMIBFSFFD-UHFFFAOYSA-N 0 0 330.844 4.225 50 0 EIAARN Clc1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1 ZINC000001386013 258049017 /nfs/dbraw/zinc/04/90/17/258049017.db2.gz FZSSYQHVPBLKGO-UHFFFAOYSA-N 0 0 325.586 4.290 50 0 EIAARN Cc1ccc2[nH]c(CNC(=O)c3ccc(Cl)cc3Cl)nc2c1 ZINC000001385873 258049056 /nfs/dbraw/zinc/04/90/56/258049056.db2.gz MTHMKXDASMLELO-UHFFFAOYSA-N 0 0 334.206 4.108 50 0 EIAARN CCCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000002796187 258050207 /nfs/dbraw/zinc/05/02/07/258050207.db2.gz IUBCHPRKPXITEC-ATVHPVEESA-N 0 0 341.794 4.473 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)nnn1-c1cccc(Cl)c1 ZINC000004313372 258050946 /nfs/dbraw/zinc/05/09/46/258050946.db2.gz XABVFEWJCSVGOH-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN O=C(COc1cccc2cccnc21)Nc1ccc(C(F)(F)F)cc1 ZINC000006127996 258051782 /nfs/dbraw/zinc/05/17/82/258051782.db2.gz KYRJBEFVKSYSAO-UHFFFAOYSA-N 0 0 346.308 4.271 50 0 EIAARN COc1ccc(Br)cc1-c1nc(C)c(C(C)=O)s1 ZINC000007977991 258053282 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CC(=O)C[C@@](O)(c1ccc2c(c1)c1ccccc1n2C)C(F)(F)F ZINC000000554203 563345124 /nfs/dbraw/zinc/34/51/24/563345124.db2.gz MSGSUQDUDXCKAI-QGZVFWFLSA-N 0 0 335.325 4.061 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000000558569 563346825 /nfs/dbraw/zinc/34/68/25/563346825.db2.gz WGHUHLXMXDZJBH-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000000586815 563351715 /nfs/dbraw/zinc/35/17/15/563351715.db2.gz USHUMNIOONLQJR-UHFFFAOYSA-N 0 0 331.268 4.387 50 0 EIAARN COc1ccc([C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2)cc1 ZINC000000608997 563352357 /nfs/dbraw/zinc/35/23/57/563352357.db2.gz VAERMFFBKZWOOC-FQEVSTJZSA-N 0 0 335.378 4.354 50 0 EIAARN CCn1nc(C)c(NC(=O)Nc2cccc(Cl)c2Cl)c1C ZINC000000610776 563353674 /nfs/dbraw/zinc/35/36/74/563353674.db2.gz QPDAUDLKLGLCPX-UHFFFAOYSA-N 0 0 327.215 4.471 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000000610816 563353635 /nfs/dbraw/zinc/35/36/35/563353635.db2.gz BWMJKWDADQQEGC-UHFFFAOYSA-N 0 0 325.151 4.366 50 0 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/nfs/dbraw/zinc/42/69/12/563426912.db2.gz BOYNXPGAJNXHJS-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Cc1nnc(SC(=O)Cn2c3ccccc3c3ccccc32)s1 ZINC000002282496 563428321 /nfs/dbraw/zinc/42/83/21/563428321.db2.gz YVTHJGSLPNSGNX-UHFFFAOYSA-N 0 0 339.445 4.273 50 0 EIAARN Cc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000002434354 563431936 /nfs/dbraw/zinc/43/19/36/563431936.db2.gz LPSZXNHGKGXHIS-UHFFFAOYSA-N 0 0 327.815 4.494 50 0 EIAARN C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)c1ccccc1 ZINC000002437383 563432401 /nfs/dbraw/zinc/43/24/01/563432401.db2.gz WYTHPKBZSXXHOS-CQSZACIVSA-N 0 0 348.398 4.322 50 0 EIAARN COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)c1 ZINC000002458855 563432679 /nfs/dbraw/zinc/43/26/79/563432679.db2.gz HFTRAKLGQHUFCD-UHFFFAOYSA-N 0 0 349.312 4.376 50 0 EIAARN COc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000002452081 563432693 /nfs/dbraw/zinc/43/26/93/563432693.db2.gz YCUKSKYSHUWPIQ-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccccc2)Nc2ncnn21 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ZINC000002829047 563453309 /nfs/dbraw/zinc/45/33/09/563453309.db2.gz AROBIVJUSFUVTB-UHFFFAOYSA-N 0 0 336.460 4.076 50 0 EIAARN CCOc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000002846496 563455275 /nfs/dbraw/zinc/45/52/75/563455275.db2.gz TUMZLROMNYYTSU-UHFFFAOYSA-N 0 0 333.453 4.120 50 0 EIAARN CCOc1cc(C=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002866732 563458410 /nfs/dbraw/zinc/45/84/10/563458410.db2.gz KBIGYOUPWWILPE-UHFFFAOYSA-N 0 0 326.392 4.415 50 0 EIAARN CCCOc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C ZINC000002869424 563458653 /nfs/dbraw/zinc/45/86/53/563458653.db2.gz MURSIFQQHZZYFB-MRXNPFEDSA-N 0 0 347.480 4.132 50 0 EIAARN CCCNC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000002874553 563459428 /nfs/dbraw/zinc/45/94/28/563459428.db2.gz LVUDVNSJTNZWKM-UHFFFAOYSA-N 0 0 341.798 4.197 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)C2=O)cc1C ZINC000002879791 563460478 /nfs/dbraw/zinc/46/04/78/563460478.db2.gz DSUIVLHMRSDAQF-OAHLLOKOSA-N 0 0 344.414 4.444 50 0 EIAARN 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CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)OC1CCCCC1 ZINC000032674650 563677199 /nfs/dbraw/zinc/67/71/99/563677199.db2.gz HYYZMYWXWRACHZ-UHFFFAOYSA-N 0 0 327.428 4.379 50 0 EIAARN CCc1sc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1C ZINC000032667806 563678550 /nfs/dbraw/zinc/67/85/50/563678550.db2.gz KJDYWAGRQFMPMV-OAHLLOKOSA-N 0 0 346.496 4.169 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccccc1Cl ZINC000012972005 563679161 /nfs/dbraw/zinc/67/91/61/563679161.db2.gz JTKJEKUNXUJRQY-CYBMUJFWSA-N 0 0 341.885 4.100 50 0 EIAARN CC(C)c1c(C(=O)NC2CCCC2)cnn1-c1cccc(Cl)c1 ZINC000012972672 563679640 /nfs/dbraw/zinc/67/96/40/563679640.db2.gz ORILLKDFDBDHSJ-UHFFFAOYSA-N 0 0 331.847 4.322 50 0 EIAARN CC(C)[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000012974136 563679814 /nfs/dbraw/zinc/67/98/14/563679814.db2.gz WFHCRXIWRFSFNO-SFHVURJKSA-N 0 0 336.439 4.139 50 0 EIAARN Cc1nc2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)ccc2o1 ZINC000012987584 563682248 /nfs/dbraw/zinc/68/22/48/563682248.db2.gz KVXXLHOZIQDYHZ-UHFFFAOYSA-N 0 0 348.402 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4.172 50 0 EIAARN C[C@@H](NC=O)c1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000013540766 563700872 /nfs/dbraw/zinc/70/08/72/563700872.db2.gz GDIPBKBBNDMMLQ-OAHLLOKOSA-N 0 0 329.403 4.045 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000013614103 563703956 /nfs/dbraw/zinc/70/39/56/563703956.db2.gz VNYMENJLDACZOZ-UHFFFAOYSA-N 0 0 340.423 4.322 50 0 EIAARN COc1ccc(C(=O)NCC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000013618310 563704219 /nfs/dbraw/zinc/70/42/19/563704219.db2.gz VSQUKEYFHHDLQE-LVBDODCMSA-N 0 0 327.468 4.422 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)C1(c2ccc(F)cc2)CCCC1 ZINC000032722331 563707500 /nfs/dbraw/zinc/70/75/00/563707500.db2.gz LZQJTTLYUKTRSR-SFHVURJKSA-N 0 0 339.410 4.278 50 0 EIAARN O=C(CCn1ccc2ccc(F)cc21)NCCc1c[nH]c2ccccc12 ZINC000013690535 563712239 /nfs/dbraw/zinc/71/22/39/563712239.db2.gz VDOYEPPFAICTNJ-UHFFFAOYSA-N 0 0 349.409 4.011 50 0 EIAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccnc1 ZINC000013690159 563712289 /nfs/dbraw/zinc/71/22/89/563712289.db2.gz 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/nfs/dbraw/zinc/72/45/17/563724517.db2.gz HBNPRCIXSMXBIB-CQSZACIVSA-N 0 0 336.391 4.364 50 0 EIAARN Cc1nc2ccc(NC(=O)CCc3ccc(N(C)C)cc3)cc2s1 ZINC000032747199 563725620 /nfs/dbraw/zinc/72/56/20/563725620.db2.gz DRMBTIVNLVHUOM-UHFFFAOYSA-N 0 0 339.464 4.242 50 0 EIAARN COc1cc(OC)c(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1Cl ZINC000032760085 563726433 /nfs/dbraw/zinc/72/64/33/563726433.db2.gz JZBJQJPHCGWFSC-UHFFFAOYSA-N 0 0 348.761 4.230 50 0 EIAARN Cc1ccc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 ZINC000032754411 563727559 /nfs/dbraw/zinc/72/75/59/563727559.db2.gz WEHCBKAYTSEJOD-HNNXBMFYSA-N 0 0 325.437 4.444 50 0 EIAARN Fc1cccc(Cl)c1CNc1ccc(-c2nnnn2C2CC2)cc1 ZINC000032770444 563730308 /nfs/dbraw/zinc/73/03/08/563730308.db2.gz NYRCKVLGZCNFOB-UHFFFAOYSA-N 0 0 343.793 4.080 50 0 EIAARN CCOc1ccccc1-c1nn2c(nnc2-c2cccc(C)c2)s1 ZINC000013945098 563732463 /nfs/dbraw/zinc/73/24/63/563732463.db2.gz XVLUSFGECKWJTE-UHFFFAOYSA-N 0 0 336.420 4.227 50 0 EIAARN O=C(Nc1cc2ccccc2cc1C(=O)N1CCCCCC1)C1CC1 ZINC000032784337 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ZINC000032817571 563751267 /nfs/dbraw/zinc/75/12/67/563751267.db2.gz TVIUDUZIGVRNGB-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN Cc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1Cl ZINC000014229422 563752797 /nfs/dbraw/zinc/75/27/97/563752797.db2.gz OJJJVBJNDTZKNM-AWEZNQCLSA-N 0 0 342.826 4.178 50 0 EIAARN CCSc1ccccc1C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000014229824 563752812 /nfs/dbraw/zinc/75/28/12/563752812.db2.gz SMALHJYYMISWIF-UHFFFAOYSA-N 0 0 344.436 4.018 50 0 EIAARN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)C1CCC1 ZINC000014244904 563754784 /nfs/dbraw/zinc/75/47/84/563754784.db2.gz UZLZDRACOYWNIA-UHFFFAOYSA-N 0 0 334.213 4.125 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)cc2O)cnn1-c1ccc(Cl)cc1 ZINC000014247557 563754992 /nfs/dbraw/zinc/75/49/92/563754992.db2.gz YGZCNDYPRYELIK-UHFFFAOYSA-N 0 0 341.798 4.100 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)Nc3ccc(C)cc3O)cs2)cc1 ZINC000014247417 563755019 /nfs/dbraw/zinc/75/50/19/563755019.db2.gz NEBBPIAATZGHRW-UHFFFAOYSA-N 0 0 338.432 4.314 50 0 EIAARN C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000032827569 563757190 /nfs/dbraw/zinc/75/71/90/563757190.db2.gz CXXOIEQPIZBKGX-CYBMUJFWSA-N 0 0 341.842 4.416 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccc(F)c(F)c1 ZINC000032830258 563759355 /nfs/dbraw/zinc/75/93/55/563759355.db2.gz PBTZAINHDMIUQG-JTQLQIEISA-N 0 0 346.308 4.250 50 0 EIAARN O=C1C(=Cc2ccc3ccccc3c2)NC(=S)N1c1ccccc1F ZINC000015256696 563780736 /nfs/dbraw/zinc/78/07/36/563780736.db2.gz SBGOTNNDMSRUQX-SFQUDFHCSA-N 0 0 348.402 4.241 50 0 EIAARN O=C(CSc1ccccc1)Nc1ccccc1N1CCCCC1 ZINC000015309177 563781892 /nfs/dbraw/zinc/78/18/92/563781892.db2.gz YTVQRQDEZIJMQK-UHFFFAOYSA-N 0 0 326.465 4.408 50 0 EIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000015317550 563782370 /nfs/dbraw/zinc/78/23/70/563782370.db2.gz FZKVHJMPBXXGOC-JTQLQIEISA-N 0 0 341.741 4.347 50 0 EIAARN CCCCc1ccc(NC(=O)c2nn(CC)c(=O)c3ccccc32)cc1 ZINC000015504685 563785647 /nfs/dbraw/zinc/78/56/47/563785647.db2.gz PJWUSVXYFHECRZ-UHFFFAOYSA-N 0 0 349.434 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VNVXAQAVCOBDPR-SFHVURJKSA-N 0 0 333.790 4.125 50 0 EIAARN CSc1ccc(CN(C)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000015765619 563791790 /nfs/dbraw/zinc/79/17/90/563791790.db2.gz YVHIMJPFATVSAT-KRWDZBQOSA-N 0 0 347.867 4.024 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(O)c1 ZINC000015768858 563792291 /nfs/dbraw/zinc/79/22/91/563792291.db2.gz ONAJLRGEMFPPIK-LBPRGKRZSA-N 0 0 329.396 4.175 50 0 EIAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)CCc2ccsc2)c1 ZINC000032906466 563792537 /nfs/dbraw/zinc/79/25/37/563792537.db2.gz KXDMMGVWNYKLIT-UHFFFAOYSA-N 0 0 330.453 4.304 50 0 EIAARN C[C@@H]1CN(C(=O)Cc2cccc3ccccc32)c2ccccc2NC1=O ZINC000015859044 563796540 /nfs/dbraw/zinc/79/65/40/563796540.db2.gz VMESIJAZXGBDSX-OAHLLOKOSA-N 0 0 344.414 4.004 50 0 EIAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2)s1 ZINC000015866719 563797465 /nfs/dbraw/zinc/79/74/65/563797465.db2.gz OGXBDZMWHZSURC-INIZCTEOSA-N 0 0 335.494 4.363 50 0 EIAARN CC(C)C[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000016047219 563802879 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ZINC000016649141 563818949 /nfs/dbraw/zinc/81/89/49/563818949.db2.gz FBNLJYYHZNRVNX-UHFFFAOYSA-N 0 0 332.407 4.014 50 0 EIAARN Cc1ccc(OCCOC(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000016695199 563820982 /nfs/dbraw/zinc/82/09/82/563820982.db2.gz XXAPZGZOUYQJGD-UHFFFAOYSA-N 0 0 349.386 4.418 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nc2ccccc2[nH]1 ZINC000016694817 563820993 /nfs/dbraw/zinc/82/09/93/563820993.db2.gz IODPLDGVVCZHDP-UHFFFAOYSA-N 0 0 341.414 4.089 50 0 EIAARN CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1C(C)C ZINC000016780042 563823405 /nfs/dbraw/zinc/82/34/05/563823405.db2.gz JOACTTDMLJGZNA-YOEHRIQHSA-N 0 0 339.501 4.066 50 0 EIAARN Cc1ccc2oc(C(=O)Nc3ccccc3C(F)(F)F)cc(=O)c2c1 ZINC000016806520 563824490 /nfs/dbraw/zinc/82/44/90/563824490.db2.gz FRXCVETVLXUSNT-UHFFFAOYSA-N 0 0 347.292 4.373 50 0 EIAARN Cc1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 ZINC000032924717 563827606 /nfs/dbraw/zinc/82/76/06/563827606.db2.gz VMPPLPSTLWQUPL-UHFFFAOYSA-N 0 0 336.366 4.251 50 0 EIAARN COc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1C2=O ZINC000000193303 563828874 /nfs/dbraw/zinc/82/88/74/563828874.db2.gz VIQGQTIKYAGLEC-UHFFFAOYSA-N 0 0 329.355 4.159 50 0 EIAARN O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccccc1Cl ZINC000017056227 563830392 /nfs/dbraw/zinc/83/03/92/563830392.db2.gz YKQCBWNTKIKDBB-UHFFFAOYSA-N 0 0 347.802 4.174 50 0 EIAARN C[C@H]1CCC[C@H](C)N1C(=S)Nc1ccc(Br)cc1 ZINC000017066940 563831076 /nfs/dbraw/zinc/83/10/76/563831076.db2.gz WAROPAWZKNHESM-QWRGUYRKSA-N 0 0 327.291 4.409 50 0 EIAARN COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cc1 ZINC000017070573 563832691 /nfs/dbraw/zinc/83/26/91/563832691.db2.gz QMDCERCDEAQIQN-UHFFFAOYSA-N 0 0 335.201 4.410 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000017167371 563839249 /nfs/dbraw/zinc/83/92/49/563839249.db2.gz QPPYTYFZOIVCLI-KBPBESRZSA-N 0 0 332.444 4.152 50 0 EIAARN C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(Cl)c1Cl ZINC000032931274 563842723 /nfs/dbraw/zinc/84/27/23/563842723.db2.gz JUSWHZMTRCQHPV-RISCZKNCSA-N 0 0 330.255 4.319 50 0 EIAARN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O ZINC000000980972 563852322 /nfs/dbraw/zinc/85/23/22/563852322.db2.gz JKUYRBUUTWOODH-WIOAZZGGSA-N 0 0 332.469 4.368 50 0 EIAARN C[C@H](c1ccccc1Cl)N(C)CC(=O)N(C)Cc1ccccc1F ZINC000071954377 563854455 /nfs/dbraw/zinc/85/44/55/563854455.db2.gz GCMPGUVPAXKEHT-CQSZACIVSA-N 0 0 348.849 4.131 50 0 EIAARN Cc1nc2ccccc2nc1COC(=O)c1ccccc1C(F)(F)F ZINC000032942964 563858930 /nfs/dbraw/zinc/85/89/30/563858930.db2.gz WEPNWERPAWZIIU-UHFFFAOYSA-N 0 0 346.308 4.314 50 0 EIAARN O=S(=O)(CCc1ccccc1)Oc1ccccc1-c1ccccc1 ZINC000071988752 563859420 /nfs/dbraw/zinc/85/94/20/563859420.db2.gz NFHFFWHKALQJHJ-UHFFFAOYSA-N 0 0 338.428 4.305 50 0 EIAARN C[C@]12CC=C3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000022001463 563861931 /nfs/dbraw/zinc/86/19/31/563861931.db2.gz MCNZISFQKMPWRJ-XHCHQYRPSA-N 0 0 338.447 4.290 50 0 EIAARN C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccnc1 ZINC000043362403 563865514 /nfs/dbraw/zinc/86/55/14/563865514.db2.gz HTXJYPARGVOMLQ-SECBINFHSA-N 0 0 341.745 4.219 50 0 EIAARN COc1ccc(-c2cnc(C[S@@](=O)Cc3ccccc3C)o2)cc1 ZINC000069876231 563866587 /nfs/dbraw/zinc/86/65/87/563866587.db2.gz FURSRCRQMSQQPP-XMMPIXPASA-N 0 0 341.432 4.108 50 0 EIAARN Cn1cc(C(=O)Nc2ccccc2N2CCCCC2)c2ccccc21 ZINC000023793028 563867503 /nfs/dbraw/zinc/86/75/03/563867503.db2.gz GIRJPGFWIHZTRM-UHFFFAOYSA-N 0 0 333.435 4.421 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)c2cc3ccccc3o2)[nH]c2c1C(=O)CCC2 ZINC000023951919 563867582 /nfs/dbraw/zinc/86/75/82/563867582.db2.gz QLEDAKIRZVABDL-LBPRGKRZSA-N 0 0 336.391 4.079 50 0 EIAARN O=C(CCc1ccc2ccccc2n1)OCc1nc2ccccc2o1 ZINC000024194258 563869620 /nfs/dbraw/zinc/86/96/20/563869620.db2.gz GNZQARKVNDYBIO-UHFFFAOYSA-N 0 0 332.359 4.052 50 0 EIAARN Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000024183532 563869702 /nfs/dbraw/zinc/86/97/02/563869702.db2.gz DHPRGTNPYQQLRN-ZDUSSCGKSA-N 0 0 338.329 4.065 50 0 EIAARN O=C(NCc1ccncc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000024581947 563872918 /nfs/dbraw/zinc/87/29/18/563872918.db2.gz WHQVHSLDJPMPDF-UHFFFAOYSA-N 0 0 348.246 4.049 50 0 EIAARN CC(C)c1c(C(=O)Nc2ccccc2O)cnn1-c1ccc(F)cc1 ZINC000024662036 563873803 /nfs/dbraw/zinc/87/38/03/563873803.db2.gz ZYKXHEYGKBNHJH-UHFFFAOYSA-N 0 0 339.370 4.093 50 0 EIAARN O=C(Nc1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccoc1 ZINC000024640995 563873856 /nfs/dbraw/zinc/87/38/56/563873856.db2.gz CFXZVYIVLWMNDK-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN Cc1c(C(=O)Nc2nc(C(C)(C)C)cs2)cnn1-c1ccccc1 ZINC000024706634 563874478 /nfs/dbraw/zinc/87/44/78/563874478.db2.gz CFUNBQJGJBVFBR-UHFFFAOYSA-N 0 0 340.452 4.187 50 0 EIAARN Cc1ccc(OC(=O)COc2cccc(Oc3ccccn3)c2)c(C)c1 ZINC000024819886 563876078 /nfs/dbraw/zinc/87/60/78/563876078.db2.gz YHDBWEMAWAPANV-UHFFFAOYSA-N 0 0 349.386 4.475 50 0 EIAARN Cc1cc(NC(=O)CCSCc2ccc(C(F)(F)F)cc2)no1 ZINC000024835169 563876625 /nfs/dbraw/zinc/87/66/25/563876625.db2.gz DBDCGCATVVCWTE-UHFFFAOYSA-N 0 0 344.358 4.264 50 0 EIAARN CC(C)c1ccc(OCC(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000025052563 563880311 /nfs/dbraw/zinc/88/03/11/563880311.db2.gz VZIFBNNNZQRNHL-UHFFFAOYSA-N 0 0 340.448 4.462 50 0 EIAARN Cc1nc(CN2CCC(C(=O)c3ccccc3)CC2)nc2ccccc12 ZINC000025060232 563880598 /nfs/dbraw/zinc/88/05/98/563880598.db2.gz IBFBPWNYVIIKGW-UHFFFAOYSA-N 0 0 345.446 4.033 50 0 EIAARN Cc1noc(C)c1CCC(=O)NC1CCC(c2ccccc2)CC1 ZINC000025098579 563880855 /nfs/dbraw/zinc/88/08/55/563880855.db2.gz GQWGYNWEVYXOMK-UHFFFAOYSA-N 0 0 326.440 4.067 50 0 EIAARN CC(C)c1nnc(NC(=O)CCCc2nc3ccccc3s2)s1 ZINC000025323281 563883198 /nfs/dbraw/zinc/88/31/98/563883198.db2.gz HTHSGWBFZKFPAJ-UHFFFAOYSA-N 0 0 346.481 4.233 50 0 EIAARN Cc1nc2ccccc2nc1NCc1ccc(C(=O)N(C)C(C)C)cc1 ZINC000025567450 563885970 /nfs/dbraw/zinc/88/59/70/563885970.db2.gz WPYVDLJMXYCYEQ-UHFFFAOYSA-N 0 0 348.450 4.031 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(C2CC2)on1 ZINC000025675353 563887020 /nfs/dbraw/zinc/88/70/20/563887020.db2.gz BMCRSSRXXAGYLV-UHFFFAOYSA-N 0 0 344.374 4.348 50 0 EIAARN CN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026295312 563890823 /nfs/dbraw/zinc/89/08/23/563890823.db2.gz GPCQIZSFZDGULR-OCCSQVGLSA-N 0 0 332.341 4.088 50 0 EIAARN Cc1cc(-n2c(C)cc(C(=O)CN3CCCc4ccccc43)c2C)no1 ZINC000026462663 563891853 /nfs/dbraw/zinc/89/18/53/563891853.db2.gz MKLPKJGXIZEXJX-UHFFFAOYSA-N 0 0 349.434 4.026 50 0 EIAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 ZINC000027267737 563895096 /nfs/dbraw/zinc/89/50/96/563895096.db2.gz GAYOFUOAHKPAJL-UHFFFAOYSA-N 0 0 349.434 4.415 50 0 EIAARN COc1ccccc1[C@H](C)N(C)C(=O)NCCSc1ccccc1 ZINC000027359133 563895319 /nfs/dbraw/zinc/89/53/19/563895319.db2.gz CPDMWIGOQITKNX-HNNXBMFYSA-N 0 0 344.480 4.190 50 0 EIAARN COc1cccc(SCC(=O)c2ccc(Br)cc2)c1 ZINC000034552624 563919262 /nfs/dbraw/zinc/91/92/62/563919262.db2.gz DTRVNVMSPNNOMV-UHFFFAOYSA-N 0 0 337.238 4.433 50 0 EIAARN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1occc1-c1ccccc1 ZINC000027838469 563899904 /nfs/dbraw/zinc/89/99/04/563899904.db2.gz DWRRRJBYEIYBCL-KRWDZBQOSA-N 0 0 346.430 4.203 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H](c3nccs3)C2)o1 ZINC000072272335 563901427 /nfs/dbraw/zinc/90/14/27/563901427.db2.gz HHEUMLCXUGWBLW-YCPHGPKFSA-N 0 0 344.480 4.198 50 0 EIAARN CCOCc1ccccc1CNC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000028347674 563902579 /nfs/dbraw/zinc/90/25/79/563902579.db2.gz KUEONYWXOQOFHA-OAHLLOKOSA-N 0 0 344.430 4.265 50 0 EIAARN C[C@@H](NC(=O)N[C@H]1CCOc2ccccc21)c1ccc(Cl)s1 ZINC000028410600 563902770 /nfs/dbraw/zinc/90/27/70/563902770.db2.gz SYMNZGFDTCAHDB-PWSUYJOCSA-N 0 0 336.844 4.286 50 0 EIAARN Cc1ccc(NC(=O)Nc2cccc(-c3nnco3)c2)c(Cl)c1 ZINC000072280429 563904274 /nfs/dbraw/zinc/90/42/74/563904274.db2.gz UMVLSQMGQDNXCD-UHFFFAOYSA-N 0 0 328.759 4.342 50 0 EIAARN CCCCCNC(=O)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000072281257 563904700 /nfs/dbraw/zinc/90/47/00/563904700.db2.gz SFHASRBVGNLNMB-UHFFFAOYSA-N 0 0 330.350 4.238 50 0 EIAARN CC(C)[C@@H](NCc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccccc1 ZINC000029189513 563905255 /nfs/dbraw/zinc/90/52/55/563905255.db2.gz IURNGNITQVFCSJ-GOSISDBHSA-N 0 0 347.418 4.156 50 0 EIAARN Cc1nc2ccccc2nc1SCC(=O)c1ccc2c(c1)CCC2 ZINC000029282927 563905385 /nfs/dbraw/zinc/90/53/85/563905385.db2.gz RHXQVFPYOPFPEU-UHFFFAOYSA-N 0 0 334.444 4.402 50 0 EIAARN C[C@@H]1CCc2ccccc2N1C(=O)CSc1nc2ccccc2[nH]1 ZINC000029268662 563905440 /nfs/dbraw/zinc/90/54/40/563905440.db2.gz VAUNYTCFYLNXCD-CYBMUJFWSA-N 0 0 337.448 4.023 50 0 EIAARN CN(CN1c2cccc3cccc(c23)C1=O)[C@H]1CCc2ccccc21 ZINC000029309443 563905632 /nfs/dbraw/zinc/90/56/32/563905632.db2.gz WXPZISIPWVLLEA-IBGZPJMESA-N 0 0 328.415 4.377 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1cccc(C(C)C)c1)c1ccccc1 ZINC000029295578 563905645 /nfs/dbraw/zinc/90/56/45/563905645.db2.gz OLEUIRIUMYKTLT-LJQANCHMSA-N 0 0 339.435 4.486 50 0 EIAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@H]1c1cccnc1 ZINC000029296100 563905664 /nfs/dbraw/zinc/90/56/64/563905664.db2.gz IBMIKXLBFHQJFI-HNNXBMFYSA-N 0 0 326.396 4.413 50 0 EIAARN O=C(C1CCC(n2cccc2)CC1)N1CCCC[C@@H]1c1nccs1 ZINC000072285961 563907459 /nfs/dbraw/zinc/90/74/59/563907459.db2.gz CQODMJBNYHTRJI-OFLPRAFFSA-N 0 0 343.496 4.430 50 0 EIAARN Cc1nc2cc(NC(=O)c3csc(-c4ccco4)n3)ccc2o1 ZINC000029602462 563907634 /nfs/dbraw/zinc/90/76/34/563907634.db2.gz NWLAONLZFSYVJG-UHFFFAOYSA-N 0 0 325.349 4.105 50 0 EIAARN COCc1cc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)ccc1F ZINC000072291380 563908969 /nfs/dbraw/zinc/90/89/69/563908969.db2.gz OIPJVSVJLDAQRS-MRXNPFEDSA-N 0 0 348.443 4.104 50 0 EIAARN Cc1ccc(CNC(=O)NC(c2cccs2)c2cccs2)cn1 ZINC000072291908 563909350 /nfs/dbraw/zinc/90/93/50/563909350.db2.gz LTTLQQSWIPLIEL-UHFFFAOYSA-N 0 0 343.477 4.102 50 0 EIAARN CC[C@@H](NC(=O)Nc1cccc(OC(F)F)c1C)c1nccs1 ZINC000072292028 563909352 /nfs/dbraw/zinc/90/93/52/563909352.db2.gz PVFLAAOYTJDTEL-SNVBAGLBSA-N 0 0 341.383 4.326 50 0 EIAARN CN1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000030028996 563909368 /nfs/dbraw/zinc/90/93/68/563909368.db2.gz DIYWWBNBXYNLAM-QGZVFWFLSA-N 0 0 349.261 4.122 50 0 EIAARN CN1CCN(C(=O)c2cc3ccccc3s2)[C@@H](c2ccccc2)C1 ZINC000030029886 563909398 /nfs/dbraw/zinc/90/93/98/563909398.db2.gz BYHZXLKMNZTBPA-QGZVFWFLSA-N 0 0 336.460 4.030 50 0 EIAARN Cc1noc2ncc(C(=O)N[C@H](C)c3ccc4ccccc4c3)cc12 ZINC000030397761 563909749 /nfs/dbraw/zinc/90/97/49/563909749.db2.gz KRERMKGPHUCECX-GFCCVEGCSA-N 0 0 331.375 4.175 50 0 EIAARN Cc1noc([C@@H](C)Nc2ccc(OCc3cccnc3)c(Cl)c2)n1 ZINC000030453800 563909766 /nfs/dbraw/zinc/90/97/66/563909766.db2.gz WAXGYGZDZIAYFY-LLVKDONJSA-N 0 0 344.802 4.179 50 0 EIAARN CCC[C@H](C)NC(=O)CSCc1cc(-c2ccc(C)cc2)no1 ZINC000030527447 563909987 /nfs/dbraw/zinc/90/99/87/563909987.db2.gz GVYHGWUHHXJPRV-AWEZNQCLSA-N 0 0 332.469 4.188 50 0 EIAARN CCN(c1ccc(NC(=O)c2ccc(OC)cc2OC)cc1)C(C)C ZINC000030637768 563910136 /nfs/dbraw/zinc/91/01/36/563910136.db2.gz RRJBBBXEMVSTTD-UHFFFAOYSA-N 0 0 342.439 4.191 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000072292590 563910206 /nfs/dbraw/zinc/91/02/06/563910206.db2.gz QYVPCWMODSVWJC-GOSISDBHSA-N 0 0 349.438 4.272 50 0 EIAARN CSc1ccccc1C(=O)Nc1ccc(C)c(NC(C)=O)c1C ZINC000030836339 563910805 /nfs/dbraw/zinc/91/08/05/563910805.db2.gz VMTHEWQQBWQPHM-UHFFFAOYSA-N 0 0 328.437 4.236 50 0 EIAARN O=C(NCCC1=CCCCC1)c1cc2c(nc3sccn23)s1 ZINC000030945708 563911881 /nfs/dbraw/zinc/91/18/81/563911881.db2.gz DXIZGOPEBSQHJD-UHFFFAOYSA-N 0 0 331.466 4.231 50 0 EIAARN COc1ccc(OCc2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000003081982 563912045 /nfs/dbraw/zinc/91/20/45/563912045.db2.gz VZDVEXMLVMOVRP-UHFFFAOYSA-N 0 0 347.414 4.204 50 0 EIAARN CN(C)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000003095996 563912070 /nfs/dbraw/zinc/91/20/70/563912070.db2.gz CEMZZHXQXOJSON-UHFFFAOYSA-N 0 0 339.222 4.077 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1C ZINC000031112929 563912090 /nfs/dbraw/zinc/91/20/90/563912090.db2.gz BHAWOQDYHNXXKB-UHFFFAOYSA-N 0 0 330.815 4.178 50 0 EIAARN Cc1cnc([C@H](NC(=O)C2CCC(n3cccc3)CC2)C2CC2)s1 ZINC000072296838 563912606 /nfs/dbraw/zinc/91/26/06/563912606.db2.gz HKNWZZGIGCROBY-OFLPRAFFSA-N 0 0 343.496 4.252 50 0 EIAARN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000247228742 563912981 /nfs/dbraw/zinc/91/29/81/563912981.db2.gz XLNGBONCGZQDRH-IIDMSEBBSA-N 0 0 337.423 4.062 50 0 EIAARN CSCc1nnc(SCc2c(C)cc(C)c(C(C)=O)c2C)o1 ZINC000048287335 563913310 /nfs/dbraw/zinc/91/33/10/563913310.db2.gz OWCPWXPQQSZDQA-UHFFFAOYSA-N 0 0 336.482 4.353 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3cccc4cccnc43)no2)cc1 ZINC000032623228 563914167 /nfs/dbraw/zinc/91/41/67/563914167.db2.gz PHWIOODLCWFCGV-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccccc1Cl)c3=O ZINC000033088855 563915265 /nfs/dbraw/zinc/91/52/65/563915265.db2.gz DUQGKEVOUOVDDW-NSHDSACASA-N 0 0 338.794 4.024 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C ZINC000033089082 563915401 /nfs/dbraw/zinc/91/54/01/563915401.db2.gz ARGSFIQGVZRHMZ-AWEZNQCLSA-N 0 0 346.430 4.242 50 0 EIAARN O=C(Nc1ccc(F)cc1)N(Cc1ccccc1F)C1CCOCC1 ZINC000072306057 563915403 /nfs/dbraw/zinc/91/54/03/563915403.db2.gz SUMKLZTVHKJCAQ-UHFFFAOYSA-N 0 0 346.377 4.178 50 0 EIAARN Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000071280796 563915652 /nfs/dbraw/zinc/91/56/52/563915652.db2.gz IEXOYBQWBNUACF-UHFFFAOYSA-N 0 0 334.404 4.247 50 0 EIAARN CN(c1ncnc2cccc(F)c21)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000072307716 563915862 /nfs/dbraw/zinc/91/58/62/563915862.db2.gz XFJOIHBQJGWWCC-GOSISDBHSA-N 0 0 325.362 4.496 50 0 EIAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=S)N(c1nc3ccccc3s1)N2 ZINC000000197222 563917056 /nfs/dbraw/zinc/91/70/56/563917056.db2.gz XYQIHLDLNHFALM-PIGZYNQJSA-N 0 0 346.525 4.038 50 0 EIAARN Cc1ccc2c(c1)nc(-c1ccc(O)cc1)n2Cc1ccc(O)cc1 ZINC000000446400 563917527 /nfs/dbraw/zinc/91/75/27/563917527.db2.gz IATLFJCPPUEUNI-UHFFFAOYSA-N 0 0 330.387 4.471 50 0 EIAARN Cc1ccc(/C=C2/SC(=O)N(CNc3cccc(C)c3)C2=O)cc1 ZINC000001192907 563917828 /nfs/dbraw/zinc/91/78/28/563917828.db2.gz IQCFSORDXVQYMH-GZTJUZNOSA-N 0 0 338.432 4.409 50 0 EIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(C)CC1 ZINC000002815621 563918004 /nfs/dbraw/zinc/91/80/04/563918004.db2.gz 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CO[C@H](C(=O)NCC(C)(C)c1cccc(Cl)c1)c1ccccc1 ZINC000072047268 563947729 /nfs/dbraw/zinc/94/77/29/563947729.db2.gz NHHYEGMPKCBTEO-KRWDZBQOSA-N 0 0 331.843 4.122 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000096440875 563953304 /nfs/dbraw/zinc/95/33/04/563953304.db2.gz MZSHWWSLFRYNJG-XJKSGUPXSA-N 0 0 345.418 4.083 50 0 EIAARN CCCn1ncc(-c2ccnc(N[C@H](CC)c3ccncc3)n2)c1C ZINC000063834625 563956066 /nfs/dbraw/zinc/95/60/66/563956066.db2.gz QJHJMUSHQBUFBD-QGZVFWFLSA-N 0 0 336.443 4.017 50 0 EIAARN CCCn1ncc(-c2ccnc(N[C@@H](CC)c3ccncc3)n2)c1C ZINC000063834622 563956078 /nfs/dbraw/zinc/95/60/78/563956078.db2.gz QJHJMUSHQBUFBD-KRWDZBQOSA-N 0 0 336.443 4.017 50 0 EIAARN CCc1ccc(CN(C)C(=O)c2cc(C)nc3c(C)cccc23)nc1 ZINC000063856670 563956313 /nfs/dbraw/zinc/95/63/13/563956313.db2.gz YULJSNFYGFCZBN-UHFFFAOYSA-N 0 0 333.435 4.081 50 0 EIAARN COc1cc(CN2CCC[C@H]2c2cc(C)no2)ccc1OCC(C)C ZINC000064666863 563956946 /nfs/dbraw/zinc/95/69/46/563956946.db2.gz XCMSCXOPYMDAOL-KRWDZBQOSA-N 0 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/nfs/dbraw/zinc/96/53/11/563965311.db2.gz PJWJCMJKTABNPD-MRXNPFEDSA-N 0 0 327.399 4.016 50 0 EIAARN Cc1nc(Cn2ccnc2-c2cnc(-c3ccccc3C)nc2)cs1 ZINC000071764457 563965474 /nfs/dbraw/zinc/96/54/74/563965474.db2.gz CMJUMRGPPKAZPD-UHFFFAOYSA-N 0 0 347.447 4.129 50 0 EIAARN Fc1cnccc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071774655 563965689 /nfs/dbraw/zinc/96/56/89/563965689.db2.gz ITUWYMVJGZSMJA-HNNXBMFYSA-N 0 0 327.186 4.105 50 0 EIAARN Cc1nc(C)c(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)s1 ZINC000071775484 563965723 /nfs/dbraw/zinc/96/57/23/563965723.db2.gz PCDZMJMECTZOHQ-MRXNPFEDSA-N 0 0 346.471 4.384 50 0 EIAARN OCc1ccccc1CNc1nc(-c2cccs2)nc2ccccc21 ZINC000060564726 563965896 /nfs/dbraw/zinc/96/58/96/563965896.db2.gz JCPSXXZAVVVLAW-UHFFFAOYSA-N 0 0 347.443 4.463 50 0 EIAARN Cc1cccc(Nc2nc(N)c(C(=O)c3ccccc3F)s2)c1 ZINC000033251751 563966065 /nfs/dbraw/zinc/96/60/65/563966065.db2.gz IOBNGCYRLJFWGT-UHFFFAOYSA-N 0 0 327.384 4.147 50 0 EIAARN C[C@@H](Oc1ccccc1)c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000033255331 563966148 /nfs/dbraw/zinc/96/61/48/563966148.db2.gz XTHYJASMGNNLCH-OAHLLOKOSA-N 0 0 335.407 4.477 50 0 EIAARN CC(C)NC(=O)c1cccc(-c2noc(-c3cccc4[nH]ccc43)n2)c1 ZINC000033257771 563966226 /nfs/dbraw/zinc/96/62/26/563966226.db2.gz XNFHWHDWTJPNGL-UHFFFAOYSA-N 0 0 346.390 4.023 50 0 EIAARN Cc1cc(I)cc(C)c1NC(=O)OC(C)(C)C ZINC000074938061 563967101 /nfs/dbraw/zinc/96/71/01/563967101.db2.gz RDCDDIXTYBVRTI-UHFFFAOYSA-N 0 0 347.196 4.255 50 0 EIAARN CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000097098815 563967442 /nfs/dbraw/zinc/96/74/42/563967442.db2.gz DUDVHJXUBHFRCL-SGTLLEGYSA-N 0 0 341.386 4.009 50 0 EIAARN Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 ZINC000077298217 563968777 /nfs/dbraw/zinc/96/87/77/563968777.db2.gz ZYRHLJIJHJDXBA-QGZVFWFLSA-N 0 0 348.446 4.408 50 0 EIAARN Cc1nc([C@H](C)N(C)Cc2cc(-c3ccccn3)no2)c(C)s1 ZINC000077298795 563968783 /nfs/dbraw/zinc/96/87/83/563968783.db2.gz GSXJYKGZBNNPRL-NSHDSACASA-N 0 0 328.441 4.003 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)cc2)n1 ZINC000077301179 563968819 /nfs/dbraw/zinc/96/88/19/563968819.db2.gz GUDQGMKJGZWBIV-HXUWFJFHSA-N 0 0 349.409 4.215 50 0 EIAARN COc1cccc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)nc3c2)c1 ZINC000077426916 563969628 /nfs/dbraw/zinc/96/96/28/563969628.db2.gz DVVZUAUYHVQHLN-FQEVSTJZSA-N 0 0 349.434 4.247 50 0 EIAARN Cc1ccc([C@H](C)n2ccnc2-c2cnc(-c3cccs3)nc2)nc1 ZINC000077453789 563969731 /nfs/dbraw/zinc/96/97/31/563969731.db2.gz ZJAJCERXAZMSKQ-AWEZNQCLSA-N 0 0 347.447 4.381 50 0 EIAARN CCc1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)n(C)n1 ZINC000077486735 563969979 /nfs/dbraw/zinc/96/99/79/563969979.db2.gz KUMURNZYPYMBCI-UHFFFAOYSA-N 0 0 349.434 4.047 50 0 EIAARN CN(C)c1ccccc1C(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077504128 563970035 /nfs/dbraw/zinc/97/00/35/563970035.db2.gz ODXKOSCGVLVDPP-SFHVURJKSA-N 0 0 326.415 4.259 50 0 EIAARN Cc1ccc2c(c1)[C@@H](n1ccnc1-c1ccc(CO)o1)CC(C)(C)O2 ZINC000077505478 563970076 /nfs/dbraw/zinc/97/00/76/563970076.db2.gz TWAPYFLBTOOLIM-INIZCTEOSA-N 0 0 338.407 4.094 50 0 EIAARN COc1ccc(F)c(F)c1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077505690 563970109 /nfs/dbraw/zinc/97/01/09/563970109.db2.gz IZXUNXCQYLCOBW-HNNXBMFYSA-N 0 0 349.352 4.480 50 0 EIAARN Cc1ccc2c(c1)c(C(=O)N1CCC[C@H](c3ccccc3C)C1)nn2C ZINC000082098774 563972217 /nfs/dbraw/zinc/97/22/17/563972217.db2.gz BNZPLGZFOAHDNA-KRWDZBQOSA-N 0 0 347.462 4.210 50 0 EIAARN O=C(c1cccc(-n2cccn2)c1)N1CCCCC[C@@H]1c1ccco1 ZINC000082121230 563972488 /nfs/dbraw/zinc/97/24/88/563972488.db2.gz MMERAQYGYAKLCG-GOSISDBHSA-N 0 0 335.407 4.223 50 0 EIAARN Cc1cc(-n2cccn2)ccc1-c1nccn1[C@H]1COC2(CCCC2)C1 ZINC000082136904 563972588 /nfs/dbraw/zinc/97/25/88/563972588.db2.gz PUZRLHRDDXDZDE-GOSISDBHSA-N 0 0 348.450 4.318 50 0 EIAARN CCN(C(=O)c1cc(C)nc2cc(F)ccc21)[C@@H]1CCOC(C)(C)C1 ZINC000082146276 563972694 /nfs/dbraw/zinc/97/26/94/563972694.db2.gz MUTLKAHXYXQBJB-OAHLLOKOSA-N 0 0 344.430 4.102 50 0 EIAARN CC[C@@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)n1C ZINC000082161791 563972833 /nfs/dbraw/zinc/97/28/33/563972833.db2.gz VFSPPWMIIDHQSK-QGZVFWFLSA-N 0 0 333.435 4.101 50 0 EIAARN CCc1ccccc1NC(=O)c1cccc(Oc2ccc(C)nn2)c1 ZINC000082230591 563972930 /nfs/dbraw/zinc/97/29/30/563972930.db2.gz HUUMEDKDVCFVLD-UHFFFAOYSA-N 0 0 333.391 4.392 50 0 EIAARN O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000033293542 563973140 /nfs/dbraw/zinc/97/31/40/563973140.db2.gz QKOJWMGLUPRVCF-OQLLNIDSSA-N 0 0 331.343 4.201 50 0 EIAARN CC[C@H](C)NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000033315076 563973619 /nfs/dbraw/zinc/97/36/19/563973619.db2.gz TXEOYRRYUQRREO-ZDUSSCGKSA-N 0 0 341.842 4.271 50 0 EIAARN O=C(Nc1ccc(Br)c(F)c1)c1ccc(Cl)cc1 ZINC000084847224 563973665 /nfs/dbraw/zinc/97/36/65/563973665.db2.gz OROAQFHOIUUYAY-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN CC(=O)N1CCC[C@H](c2nc(-c3cc(F)ccc3F)c(C)s2)C1 ZINC000127800621 563973700 /nfs/dbraw/zinc/97/37/00/563973700.db2.gz JHYZBWUUGFLZOJ-LBPRGKRZSA-N 0 0 336.407 4.123 50 0 EIAARN O=C(c1ccc(CN2CCSCC2)cc1)c1ccccc1Cl ZINC000085651277 563973921 /nfs/dbraw/zinc/97/39/21/563973921.db2.gz MGNYEHPOYUKQAN-UHFFFAOYSA-N 0 0 331.868 4.120 50 0 EIAARN O=C(c1cc2ccccc2s1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 ZINC000585149074 563974159 /nfs/dbraw/zinc/97/41/59/563974159.db2.gz UMBBZCDVZUOJBN-KRWDZBQOSA-N 0 0 349.455 4.466 50 0 EIAARN Cc1nc(NC(=O)C(C)C)sc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033331341 563974445 /nfs/dbraw/zinc/97/44/45/563974445.db2.gz WCEWZZCGGWAZIZ-UHFFFAOYSA-N 0 0 342.424 4.071 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccccc1 ZINC000008680608 563974561 /nfs/dbraw/zinc/97/45/61/563974561.db2.gz JMHSNITUKIQCAQ-UHFFFAOYSA-N 0 0 334.466 4.351 50 0 aggregator EIAARN COc1cc(C(=O)Oc2ccccc2C(C)C)cc(OC)c1OC ZINC000000079185 563974589 /nfs/dbraw/zinc/97/45/89/563974589.db2.gz YVRMSVNKQCWVBJ-UHFFFAOYSA-N 0 0 330.380 4.055 50 0 EIAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@@H](C)c1cncs1 ZINC000091321664 563975273 /nfs/dbraw/zinc/97/52/73/563975273.db2.gz LTQZCXSZROWHBA-ZDUSSCGKSA-N 0 0 327.453 4.383 50 0 EIAARN Cc1nc(CN(C)C(=O)[C@H](C)Oc2ccc3ccccc3c2)cs1 ZINC000091575401 563975549 /nfs/dbraw/zinc/97/55/49/563975549.db2.gz XGSMNAWXAQYYTR-ZDUSSCGKSA-N 0 0 340.448 4.031 50 0 EIAARN CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccc2sccc2c1 ZINC000092081818 563976063 /nfs/dbraw/zinc/97/60/63/563976063.db2.gz AONPAMYINLJFHO-UHFFFAOYSA-N 0 0 349.415 4.224 50 0 EIAARN Cc1cc(OC(=O)C2CCCCC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000000091059 563976525 /nfs/dbraw/zinc/97/65/25/563976525.db2.gz AKLSZLKCQCRAKP-UHFFFAOYSA-N 0 0 340.419 4.466 50 0 EIAARN COc1ccc(NC(=O)c2c(Cl)cc(Cl)nc2Cl)cc1 ZINC000000092989 563976586 /nfs/dbraw/zinc/97/65/86/563976586.db2.gz GLRCZMQIMXLVEE-UHFFFAOYSA-N 0 0 331.586 4.303 50 0 EIAARN Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(F)cc2)S3)cc1 ZINC000000093517 563976617 /nfs/dbraw/zinc/97/66/17/563976617.db2.gz BLGKNKWLFDKEIB-HNNXBMFYSA-N 0 0 339.395 4.270 50 0 EIAARN CCOc1ccccc1C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000095481397 563976974 /nfs/dbraw/zinc/97/69/74/563976974.db2.gz WFPJHLORSKELNV-AWEZNQCLSA-N 0 0 346.224 4.126 50 0 EIAARN Cc1nc2cc(NC(=O)N(Cc3nccs3)C3CC3)ccc2s1 ZINC000095505389 563977117 /nfs/dbraw/zinc/97/71/17/563977117.db2.gz RQNGOQPUBPZXCS-UHFFFAOYSA-N 0 0 344.465 4.258 50 0 EIAARN Cc1ccc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)s1 ZINC000095511126 563977276 /nfs/dbraw/zinc/97/72/76/563977276.db2.gz JOVPZXZKUWASLX-UHFFFAOYSA-N 0 0 343.496 4.073 50 0 EIAARN O=C(c1cccnc1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095516317 563977329 /nfs/dbraw/zinc/97/73/29/563977329.db2.gz HAADWMZAKOSTHF-UHFFFAOYSA-N 0 0 342.442 4.304 50 0 EIAARN O=C(Nc1ccc(SCc2ccco2)cc1)N1CCSCC1 ZINC000095526185 563977473 /nfs/dbraw/zinc/97/74/73/563977473.db2.gz OVORNZWJZXRUJJ-UHFFFAOYSA-N 0 0 334.466 4.153 50 0 EIAARN Clc1ccccc1[C@@H]1CCN(c2nccc(-c3ccccn3)n2)C1 ZINC000096132387 563979364 /nfs/dbraw/zinc/97/93/64/563979364.db2.gz AVYZUFWTUQZLJN-CQSZACIVSA-N 0 0 336.826 4.186 50 0 EIAARN Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(-c2cn[nH]c2)c1 ZINC000096153500 563979748 /nfs/dbraw/zinc/97/97/48/563979748.db2.gz OQHJOQWVEPEWDT-HXUWFJFHSA-N 0 0 331.419 4.362 50 0 EIAARN Fc1cccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)c1 ZINC000096193792 563980103 /nfs/dbraw/zinc/98/01/03/563980103.db2.gz BDGUCCHSSIDEDS-UHFFFAOYSA-N 0 0 336.351 4.405 50 0 EIAARN Cc1ccc(C(=O)c2c(N)sc3c2CCC3)c(Br)c1 ZINC000097053734 563981250 /nfs/dbraw/zinc/98/12/50/563981250.db2.gz IBOKUVJFLKVOKW-UHFFFAOYSA-N 0 0 336.254 4.121 50 0 EIAARN CCc1nc2cc(NC(=O)N(C)[C@H](C)c3nc(C)cs3)ccc2[nH]1 ZINC000097117023 563981312 /nfs/dbraw/zinc/98/13/12/563981312.db2.gz VDXJISHWTPNELP-LLVKDONJSA-N 0 0 343.456 4.115 50 0 EIAARN Cc1nccc(-c2cccc(NC(=S)N[C@@H](C)c3ccccc3)c2)n1 ZINC000044107134 563981450 /nfs/dbraw/zinc/98/14/50/563981450.db2.gz LUBPCROBSCOPKS-AWEZNQCLSA-N 0 0 348.475 4.500 50 0 EIAARN C[C@H]1Cc2cc(/C=C3\N=C(c4ccccc4Cl)OC3=O)ccc2O1 ZINC000000099366 563981724 /nfs/dbraw/zinc/98/17/24/563981724.db2.gz CUZIQNWIIUGDED-OKHBPPCESA-N 0 0 339.778 4.008 50 0 EIAARN CSc1cccc(CN(C(=O)CCc2ccncc2)C(C)C)c1 ZINC000097815535 563981992 /nfs/dbraw/zinc/98/19/92/563981992.db2.gz JZTLRWJEUWLHAD-UHFFFAOYSA-N 0 0 328.481 4.173 50 0 EIAARN O=c1nc(-c2ccccn2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000046438358 563982426 /nfs/dbraw/zinc/98/24/26/563982426.db2.gz FOGWHLFDHMCPKP-UHFFFAOYSA-N 0 0 339.807 4.367 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000014117522 563983251 /nfs/dbraw/zinc/98/32/51/563983251.db2.gz ZAFUWRBLIMRCEN-UHFFFAOYSA-N 0 0 349.814 4.397 50 0 EIAARN c1nn(Cc2ccccc2)cc1NCc1csc(-c2ccccn2)n1 ZINC000119850323 563984200 /nfs/dbraw/zinc/98/42/00/563984200.db2.gz ZKBRJPVOGMUCJK-UHFFFAOYSA-N 0 0 347.447 4.062 50 0 EIAARN Cc1cccc(-c2nc3nc(C)cc(Nc4ccccc4C)n3n2)c1 ZINC000014610558 563986158 /nfs/dbraw/zinc/98/61/58/563986158.db2.gz WGQVXQIIFRVSNL-UHFFFAOYSA-N 0 0 329.407 4.460 50 0 EIAARN COc1cccc(Nc2cc(C)nc3nc(-c4cccc(C)c4)nn32)c1 ZINC000014610552 563986171 /nfs/dbraw/zinc/98/61/71/563986171.db2.gz ZWJDPNKNZQEKOW-UHFFFAOYSA-N 0 0 345.406 4.160 50 0 EIAARN Cc1nn(C(=O)c2ccc(Cl)cc2Cl)c(N)c1-c1ccccc1 ZINC000000106487 563986488 /nfs/dbraw/zinc/98/64/88/563986488.db2.gz HNMNEUMFXLSCPG-UHFFFAOYSA-N 0 0 346.217 4.436 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1c(C)cc(C)cc1C)CCC2 ZINC000000118505 563986713 /nfs/dbraw/zinc/98/67/13/563986713.db2.gz OFDHMQAHSYPBPX-UHFFFAOYSA-N 0 0 343.448 4.201 50 0 EIAARN CC(=O)O[C@H]1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)C1(C)C ZINC000000118694 563986719 /nfs/dbraw/zinc/98/67/19/563986719.db2.gz UAUUBSHOVAJNJQ-MOPGFXCFSA-N 0 0 339.391 4.213 50 0 EIAARN Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(C)c3)C2=O)c1 ZINC000000121731 563986817 /nfs/dbraw/zinc/98/68/17/563986817.db2.gz AIDRZDIHTASQGB-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN CCCC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 ZINC000000132561 563987011 /nfs/dbraw/zinc/98/70/11/563987011.db2.gz ARKAOSZIBAOZRB-UHFFFAOYSA-N 0 0 338.359 4.174 50 0 biogenic EIAARN CCOc1ccccc1OCC(=O)Oc1cc(C)c(Cl)c(C)c1 ZINC000000145719 563987219 /nfs/dbraw/zinc/98/72/19/563987219.db2.gz FTAWWILODWYESV-UHFFFAOYSA-N 0 0 334.799 4.340 50 0 EIAARN CC(C)COC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000146991 563987239 /nfs/dbraw/zinc/98/72/39/563987239.db2.gz AKIRKNDAQXFEEZ-UHFFFAOYSA-N 0 0 331.799 4.405 50 0 EIAARN Cc1cccc(-c2nnc3c4c5c(sc4ncn32)C[C@@H](C)CC5)c1 ZINC000000145970 563987252 /nfs/dbraw/zinc/98/72/52/563987252.db2.gz NSLYOEMTULHMLQ-LBPRGKRZSA-N 0 0 334.448 4.439 50 0 EIAARN CCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000000176686 563987694 /nfs/dbraw/zinc/98/76/94/563987694.db2.gz XYEIXRLIJICFHU-YBEGLDIGSA-N 0 0 327.767 4.083 50 0 EIAARN COc1ccc(NC(=O)Nc2c(SC)nsc2SC)cc1 ZINC000000180354 563987812 /nfs/dbraw/zinc/98/78/12/563987812.db2.gz BBRVYZPCNFKPDE-UHFFFAOYSA-N 0 0 341.483 4.240 50 0 EIAARN COc1cccc(C(=O)Nc2ccc3nc(SC)sc3c2)c1 ZINC000000193520 563988205 /nfs/dbraw/zinc/98/82/05/563988205.db2.gz CJBREJLTVPLGOI-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN CCOC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OCC ZINC000000196401 563988232 /nfs/dbraw/zinc/98/82/32/563988232.db2.gz UWZZDZNGXRTAFU-UHFFFAOYSA-N 0 0 333.384 4.380 50 0 EIAARN CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000000201144 563988374 /nfs/dbraw/zinc/98/83/74/563988374.db2.gz SOQGMJOQWMDRTC-UHFFFAOYSA-N 0 0 345.445 4.205 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccn(Cc2ccccc2Cl)n1 ZINC000028226276 563988647 /nfs/dbraw/zinc/98/86/47/563988647.db2.gz ZURKAKHEAZQWLP-UHFFFAOYSA-N 0 0 325.799 4.146 50 0 EIAARN COc1ccc(-n2c(C)nc3cc(C(=O)NC4CCCC4)ccc32)cc1 ZINC000000223933 563988909 /nfs/dbraw/zinc/98/89/09/563988909.db2.gz HMEQSBGWQYELJH-UHFFFAOYSA-N 0 0 349.434 4.015 50 0 EIAARN COC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000239628 563989090 /nfs/dbraw/zinc/98/90/90/563989090.db2.gz IBYCECKLSSSLAI-UHFFFAOYSA-N 0 0 345.398 4.244 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000000252207 563989510 /nfs/dbraw/zinc/98/95/10/563989510.db2.gz AXQADNXBFAKEPZ-INIZCTEOSA-N 0 0 333.435 4.194 50 0 EIAARN CC(=O)N1[C@H](Nc2ccc(Cl)cc2)C[C@H](C)N1c1ccccc1 ZINC000000282723 563990223 /nfs/dbraw/zinc/99/02/23/563990223.db2.gz ADQFNWFAIRDXIZ-UGSOOPFHSA-N 0 0 329.831 4.140 50 0 EIAARN Cc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000000283797 563990253 /nfs/dbraw/zinc/99/02/53/563990253.db2.gz XZZCLOQOKWDMGP-UHFFFAOYSA-N 0 0 335.432 4.329 50 0 EIAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000000325377 563991245 /nfs/dbraw/zinc/99/12/45/563991245.db2.gz OWXAZWWUAFSKHH-KRWDZBQOSA-N 0 0 348.406 4.414 50 0 EIAARN Nc1c(Cl)cc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1Cl ZINC000024050243 563991603 /nfs/dbraw/zinc/99/16/03/563991603.db2.gz DJQXZFVDQBRVIZ-UHFFFAOYSA-N 0 0 347.205 4.014 50 0 EIAARN CCCN(CCC)C1=N/C(=C/c2ccco2)C(=O)N1c1ccccc1 ZINC000000382938 563991973 /nfs/dbraw/zinc/99/19/73/563991973.db2.gz PRCNIRSXAUBOSC-OBGWFSINSA-N 0 0 337.423 4.145 50 0 EIAARN Cc1ccccc1Cc1nnc2sc(-c3ccc(Cl)cc3)nn12 ZINC000000384960 563991986 /nfs/dbraw/zinc/99/19/86/563991986.db2.gz POXPLQJREZUVOY-UHFFFAOYSA-N 0 0 340.839 4.405 50 0 EIAARN CCOC(=O)c1cnc(SC)nc1Nc1cccc2ccccc21 ZINC000000383922 563992007 /nfs/dbraw/zinc/99/20/07/563992007.db2.gz IZDXRQNVMZOKMJ-UHFFFAOYSA-N 0 0 339.420 4.272 50 0 EIAARN C[C@@H]1CCN(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccn2)C1 ZINC000408513137 563992752 /nfs/dbraw/zinc/99/27/52/563992752.db2.gz NFQNNNOMBYWWPJ-GFCCVEGCSA-N 0 0 349.356 4.199 50 0 EIAARN Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000061131624 563993395 /nfs/dbraw/zinc/99/33/95/563993395.db2.gz CLDWFSKCVNXFTJ-UHFFFAOYSA-N 0 0 346.452 4.163 50 0 EIAARN Cc1cc(C)n(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)n1 ZINC000012996483 563994597 /nfs/dbraw/zinc/99/45/97/563994597.db2.gz CEBBTCIVGLDZOG-UHFFFAOYSA-N 0 0 335.407 4.239 50 0 EIAARN C[C@H](Sc1ccc2ccccc2n1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000248001212 563994980 /nfs/dbraw/zinc/99/49/80/563994980.db2.gz SSUDPGGFIUOSAD-IJEWVQPXSA-N 0 0 328.481 4.410 50 0 EIAARN O=C(NCc1cccc(O)c1)Nc1ccccc1CCC(F)(F)F ZINC000176504421 563995136 /nfs/dbraw/zinc/99/51/36/563995136.db2.gz BHKSLBRYZQKBFJ-UHFFFAOYSA-N 0 0 338.329 4.209 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(F)cc2Br)[C@H]1C ZINC000248127806 563995235 /nfs/dbraw/zinc/99/52/35/563995235.db2.gz XOMHVCZHUORLPF-BFVZDQMLSA-N 0 0 328.225 4.143 50 0 EIAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000248244085 563995591 /nfs/dbraw/zinc/99/55/91/563995591.db2.gz KTYVXFQVIQOKJT-FHWLQOOXSA-N 0 0 339.410 4.302 50 0 EIAARN COCc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000044549816 563995714 /nfs/dbraw/zinc/99/57/14/563995714.db2.gz XJCBAGMXJMXQOE-UHFFFAOYSA-N 0 0 344.461 4.199 50 0 EIAARN COc1cccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000179069205 563996911 /nfs/dbraw/zinc/99/69/11/563996911.db2.gz BODKPIWOHUJAAJ-IBGZPJMESA-N 0 0 339.826 4.018 50 0 EIAARN CC(C)Oc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000014796269 563997812 /nfs/dbraw/zinc/99/78/12/563997812.db2.gz IXYKROIKRPLUPD-UHFFFAOYSA-N 0 0 334.213 4.489 50 0 EIAARN Nc1nc2ccccc2cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000252510213 563997878 /nfs/dbraw/zinc/99/78/78/563997878.db2.gz ZEKMBALHKZRJAT-UHFFFAOYSA-N 0 0 332.190 4.376 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Oc1ccc(C)cc1 ZINC000000411379 563998035 /nfs/dbraw/zinc/99/80/35/563998035.db2.gz HRSRKJYJRQWNNE-UHFFFAOYSA-N 0 0 326.783 4.362 50 0 EIAARN COc1ccccc1-c1cc(C(=O)Nc2cccc(Cl)c2)no1 ZINC000000423724 563998328 /nfs/dbraw/zinc/99/83/28/563998328.db2.gz SOUPFHYNAGIUGY-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN Cc1ccc(C)c(NC(=O)CSc2nccn2-c2ccccc2)c1 ZINC000000427343 563998648 /nfs/dbraw/zinc/99/86/48/563998648.db2.gz VXGJKJHPTCTEBZ-UHFFFAOYSA-N 0 0 337.448 4.220 50 0 EIAARN COc1cccc(C2=N/C(=C\c3ccc(C(C)(C)C)cc3)C(=O)O2)c1 ZINC000000430020 563999103 /nfs/dbraw/zinc/99/91/03/563999103.db2.gz UXWCOQXOVAKPIH-PDGQHHTCSA-N 0 0 335.403 4.337 50 0 EIAARN Cc1ccc(CC2CCN(C(=O)c3cc(C(C)C)on3)CC2)cc1 ZINC000253393780 563999167 /nfs/dbraw/zinc/99/91/67/563999167.db2.gz VULACLGNZWYBEO-UHFFFAOYSA-N 0 0 326.440 4.201 50 0 EIAARN C[C@@H](NC(=O)CN1CC(C)(C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000253419780 563999177 /nfs/dbraw/zinc/99/91/77/563999177.db2.gz IGUHDHLVAMVZBW-FZKQIMNGSA-N 0 0 346.471 4.148 50 0 EIAARN O=C(c1cccc([C@@H]2CCOC2)c1)N(c1ccccn1)C1CCCC1 ZINC000270640008 563999258 /nfs/dbraw/zinc/99/92/58/563999258.db2.gz KCQJHBAMJNRJHF-GOSISDBHSA-N 0 0 336.435 4.175 50 0 EIAARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1cccc(F)c1 ZINC000000430334 563999389 /nfs/dbraw/zinc/99/93/89/563999389.db2.gz GRLFAOMBHJOPEW-AUWJEWJLSA-N 0 0 336.149 4.477 50 0 EIAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000000431173 563999430 /nfs/dbraw/zinc/99/94/30/563999430.db2.gz XEJLSSGCIZUMML-RIYZIHGNSA-N 0 0 336.149 4.477 50 0 EIAARN CCc1cccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)c1 ZINC000000214820 563999491 /nfs/dbraw/zinc/99/94/91/563999491.db2.gz OEEUDXNMUZTEFV-KVWWFHCMSA-N 0 0 344.499 4.155 50 0 EIAARN Fc1ccc(-c2ccc3nnc(SCc4ccccc4)n3n2)cc1 ZINC000005168011 563999837 /nfs/dbraw/zinc/99/98/37/563999837.db2.gz JNTXGXXKSWEWOJ-UHFFFAOYSA-N 0 0 336.395 4.223 50 0 EIAARN Cc1sc2nc([C@@H](C)Sc3nccn3C3CC3)nc(N)c2c1C ZINC000073395918 564000062 /nfs/dbraw/zinc/00/00/62/564000062.db2.gz BBENNHHSJIMACE-SNVBAGLBSA-N 0 0 345.497 4.275 50 0 EIAARN Cc1nc2ccccc2c(=O)n1N(c1ccccc1)C1=CC=CCC1 ZINC000000268727 564000143 /nfs/dbraw/zinc/00/01/43/564000143.db2.gz DRHGVLVUXYNOMM-UHFFFAOYSA-N 0 0 329.403 4.209 50 0 EIAARN Cc1ccc(-c2nnco2)cc1NC(=O)Nc1ccc2c(c1)CCC2 ZINC000075142874 564000318 /nfs/dbraw/zinc/00/03/18/564000318.db2.gz XKFYXVVXCHORNY-UHFFFAOYSA-N 0 0 334.379 4.178 50 0 EIAARN Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)c1 ZINC000005201044 564000530 /nfs/dbraw/zinc/00/05/30/564000530.db2.gz RYDURZPJCUPENR-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN Fc1cccc(-c2nnc(CNc3ccc(Br)cc3)o2)c1 ZINC000078949908 564000953 /nfs/dbraw/zinc/00/09/53/564000953.db2.gz ZYFWLQXHVGAULV-UHFFFAOYSA-N 0 0 348.175 4.250 50 0 EIAARN CN(Cc1cccc(O)c1)C(=O)c1cccnc1SC1CCCC1 ZINC000080382510 564001027 /nfs/dbraw/zinc/00/10/27/564001027.db2.gz FFTRWNVVFZBAHJ-UHFFFAOYSA-N 0 0 342.464 4.094 50 0 EIAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 ZINC000005210619 564001082 /nfs/dbraw/zinc/00/10/82/564001082.db2.gz 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/nfs/dbraw/zinc/00/23/73/564002373.db2.gz GIHFVUHAZSIUAO-NYHFZMIOSA-N 0 0 346.430 4.003 50 0 EIAARN O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(Cl)cc1 ZINC000005307833 564002466 /nfs/dbraw/zinc/00/24/66/564002466.db2.gz FAIRPHRODYZJKU-UHFFFAOYSA-N 0 0 349.839 4.076 50 0 EIAARN O=C(OCc1ncc(-c2ccccc2)o1)c1cc2c(s1)CCC2 ZINC000005308534 564002489 /nfs/dbraw/zinc/00/24/89/564002489.db2.gz ZGLPRWMYLFNTSJ-UHFFFAOYSA-N 0 0 325.389 4.249 50 0 EIAARN C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1cccc(Cl)c1 ZINC000005325352 564002654 /nfs/dbraw/zinc/00/26/54/564002654.db2.gz VNJUTSQTGZPOER-UHFFFAOYSA-N 0 0 343.810 4.026 50 0 EIAARN O=C(c1cc2ccccc2o1)N(Cc1ccco1)Cc1ccccn1 ZINC000062018009 564002747 /nfs/dbraw/zinc/00/27/47/564002747.db2.gz RQCFRABOFDCDDF-UHFFFAOYSA-N 0 0 332.359 4.263 50 0 EIAARN Cc1c(C)n(-c2cccnc2)c2ncnc(Nc3ccc(F)cc3)c12 ZINC000005345690 564002939 /nfs/dbraw/zinc/00/29/39/564002939.db2.gz UZWNQEANMDNHFZ-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN CC(=O)CCc1ccc(OCc2nc(-c3ccccc3C)no2)cc1 ZINC000005347968 564002991 /nfs/dbraw/zinc/00/29/91/564002991.db2.gz ZEXBBCVYNLOBEJ-UHFFFAOYSA-N 0 0 336.391 4.146 50 0 EIAARN C[C@H](OC(=O)c1c[nH]c2ccccc21)c1nnc(-c2ccccc2)o1 ZINC000005349827 564003039 /nfs/dbraw/zinc/00/30/39/564003039.db2.gz WRJYSILRXLVTPP-LBPRGKRZSA-N 0 0 333.347 4.136 50 0 EIAARN CC[C@H](Sc1nnc(C)s1)C(=O)Nc1ccc(Cl)cc1 ZINC000000467351 564003119 /nfs/dbraw/zinc/00/31/19/564003119.db2.gz NTMZAZRFNRAYGZ-NSHDSACASA-N 0 0 327.862 4.009 50 0 EIAARN CC(C)(C)OC(=O)Nc1cc(Cl)ccc1C(=O)[C@H]1CCCO1 ZINC000407986140 564004166 /nfs/dbraw/zinc/00/41/66/564004166.db2.gz GBNBJXZHERHRKB-CYBMUJFWSA-N 0 0 325.792 4.049 50 0 EIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1C ZINC000003251621 564004212 /nfs/dbraw/zinc/00/42/12/564004212.db2.gz NGNZLCWCBMNTDR-AWEZNQCLSA-N 0 0 329.465 4.060 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)C(CC)CC)C[C@H](C)CC2 ZINC000005454671 564004267 /nfs/dbraw/zinc/00/42/67/564004267.db2.gz MFBIHHKSODRBQO-LLVKDONJSA-N 0 0 337.485 4.424 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)Nc2ccc(C)cc2)s1 ZINC000003240416 564004275 /nfs/dbraw/zinc/00/42/75/564004275.db2.gz HOLXSGPWFDVMLM-UHFFFAOYSA-N 0 0 343.477 4.293 50 0 EIAARN Cc1csc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1 ZINC000003289175 564004363 /nfs/dbraw/zinc/00/43/63/564004363.db2.gz XYSPWIBDXZQLOI-UHFFFAOYSA-N 0 0 329.446 4.339 50 0 EIAARN Cc1ccccc1CSc1ncnc2c1cnn2Cc1ccccc1 ZINC000005501301 564004858 /nfs/dbraw/zinc/00/48/58/564004858.db2.gz PMJRVNCKAOUGSH-UHFFFAOYSA-N 0 0 346.459 4.475 50 0 EIAARN CCCC(=O)NCCCc1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000005545873 564005201 /nfs/dbraw/zinc/00/52/01/564005201.db2.gz KCJFTQNSWVCYFR-UHFFFAOYSA-N 0 0 349.478 4.242 50 0 EIAARN Cc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000005556072 564005311 /nfs/dbraw/zinc/00/53/11/564005311.db2.gz ZLAHLFIHZYAMSW-UHFFFAOYSA-N 0 0 332.432 4.416 50 0 EIAARN c1csc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)c1 ZINC000005575849 564005788 /nfs/dbraw/zinc/00/57/88/564005788.db2.gz RAPXSDWLIGKFFK-APWZRJJASA-N 0 0 333.416 4.385 50 0 EIAARN COC(=O)CSc1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000005285589 564005886 /nfs/dbraw/zinc/00/58/86/564005886.db2.gz OMTBELBQZPILJJ-UHFFFAOYSA-N 0 0 346.839 4.003 50 0 EIAARN C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)c1c[nH]c2ccccc21 ZINC000005492368 564006020 /nfs/dbraw/zinc/00/60/20/564006020.db2.gz BBCWLBGDVASUHB-LBPRGKRZSA-N 0 0 332.359 4.077 50 0 EIAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000005598832 564006123 /nfs/dbraw/zinc/00/61/23/564006123.db2.gz ZNIACCQEGLFJAL-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN COc1cc(C)c(NC(=O)c2cc3c(s2)CCCC3)cc1OC ZINC000005616509 564006472 /nfs/dbraw/zinc/00/64/72/564006472.db2.gz BVFMEKYROMZHEO-UHFFFAOYSA-N 0 0 331.437 4.205 50 0 EIAARN COc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1OC ZINC000005626772 564006691 /nfs/dbraw/zinc/00/66/91/564006691.db2.gz CFINCZGASYJGEX-UHFFFAOYSA-N 0 0 339.416 4.227 50 0 EIAARN CC(C)c1ccccc1OCC(=O)Nc1nc2ccccc2s1 ZINC000005635637 564006837 /nfs/dbraw/zinc/00/68/37/564006837.db2.gz YBVLJVUCFJXVPM-UHFFFAOYSA-N 0 0 326.421 4.437 50 0 EIAARN COc1ccc(C(=O)OCc2ccc(Oc3cccnc3)cc2)cc1 ZINC000062639940 564007028 /nfs/dbraw/zinc/00/70/28/564007028.db2.gz UIVXHSUNBJPEHB-UHFFFAOYSA-N 0 0 335.359 4.240 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(F)cc1F ZINC000005654620 564007069 /nfs/dbraw/zinc/00/70/69/564007069.db2.gz IVUXNBKXKNOWCZ-LLVKDONJSA-N 0 0 343.329 4.183 50 0 EIAARN Cc1ccc(CC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000273296784 564007724 /nfs/dbraw/zinc/00/77/24/564007724.db2.gz MHSJTXIFHOWXRD-WMZOPIPTSA-N 0 0 347.455 4.117 50 0 EIAARN CN(C(=O)CCc1cccs1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273295148 564007727 /nfs/dbraw/zinc/00/77/27/564007727.db2.gz LTEKCGOCSZNKCN-SJLPKXTDSA-N 0 0 347.455 4.199 50 0 EIAARN CC(C)n1cccc1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273467891 564007764 /nfs/dbraw/zinc/00/77/64/564007764.db2.gz FCIGTFCKADBBEA-HKUYNNGSSA-N 0 0 344.430 4.200 50 0 EIAARN Cc1nc(C)c(C(=O)NC[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)o1 ZINC000156616887 564009151 /nfs/dbraw/zinc/00/91/51/564009151.db2.gz KLDKNKWNIQNGHI-MFKMUULPSA-N 0 0 339.222 4.132 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)s1 ZINC000017297712 564011515 /nfs/dbraw/zinc/01/15/15/564011515.db2.gz CDPYPVNAXVLYSC-UHFFFAOYSA-N 0 0 335.856 4.032 50 0 EIAARN CC(C)c1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000017295998 564011526 /nfs/dbraw/zinc/01/15/26/564011526.db2.gz YGDFJZJJNFMWNG-UHFFFAOYSA-N 0 0 336.435 4.029 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccccc1Cl ZINC000017310509 564011586 /nfs/dbraw/zinc/01/15/86/564011586.db2.gz QPPZYYCFFSNGBG-UHFFFAOYSA-N 0 0 325.843 4.432 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCc1ccccc1 ZINC000017309828 564011609 /nfs/dbraw/zinc/01/16/09/564011609.db2.gz RMZWOYQDJGSRRH-UHFFFAOYSA-N 0 0 329.806 4.263 50 0 EIAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCC2)cc1 ZINC000017356472 564011735 /nfs/dbraw/zinc/01/17/35/564011735.db2.gz IOKUEKKWSIOUAZ-UHFFFAOYSA-N 0 0 348.446 4.399 50 0 EIAARN S=C(Nc1ccc2c(c1)OCCO2)Nc1cccc2c1CCCC2 ZINC000017450118 564011904 /nfs/dbraw/zinc/01/19/04/564011904.db2.gz PGDDLUWUMQZYNE-UHFFFAOYSA-N 0 0 340.448 4.146 50 0 EIAARN COc1cc(C(=O)c2c(C)c(C)c(C)c(C)c2C)cc(OC)c1OC ZINC000000137316 564012111 /nfs/dbraw/zinc/01/21/11/564012111.db2.gz DXCHYIFNPKZJIY-UHFFFAOYSA-N 0 0 342.435 4.486 50 0 EIAARN CC(C)Oc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000000144396 564012121 /nfs/dbraw/zinc/01/21/21/564012121.db2.gz XUSZJZROFDIROL-UHFFFAOYSA-N 0 0 334.213 4.489 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000000089569 564012261 /nfs/dbraw/zinc/01/22/61/564012261.db2.gz ULFXUQARNWBNLJ-CABCVRRESA-N 0 0 343.448 4.284 50 0 EIAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(Br)o1 ZINC000000463429 564012647 /nfs/dbraw/zinc/01/26/47/564012647.db2.gz GVBBTRHDBRYGKO-UHFFFAOYSA-N 0 0 349.228 4.285 50 0 EIAARN C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000000457541 564012672 /nfs/dbraw/zinc/01/26/72/564012672.db2.gz VAHBTIZXWOIGJP-SNVBAGLBSA-N 0 0 348.328 4.464 50 0 EIAARN Cc1cc(SCC(=O)c2ccc3c(c2)OCO3)nc2ccccc12 ZINC000001006933 564012984 /nfs/dbraw/zinc/01/29/84/564012984.db2.gz WLQLQOARHVMJPU-UHFFFAOYSA-N 0 0 337.400 4.247 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000002739159 564013435 /nfs/dbraw/zinc/01/34/35/564013435.db2.gz ALGORDVWPVVRTM-UHFFFAOYSA-N 0 0 348.240 4.337 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc3cc(C)ccc3[nH]2)cc1 ZINC000018004219 564013848 /nfs/dbraw/zinc/01/38/48/564013848.db2.gz LUEJYTDGICNSBD-ZDUSSCGKSA-N 0 0 325.437 4.299 50 0 EIAARN C[C@H](C(=O)N(Cc1ccccc1)CC1CCOCC1)c1cccs1 ZINC000120382824 564014492 /nfs/dbraw/zinc/01/44/92/564014492.db2.gz QEHIMRBSMANJFH-INIZCTEOSA-N 0 0 343.492 4.307 50 0 EIAARN C[C@@H](C(=O)N(Cc1ccccc1)CC1CCOCC1)c1cccs1 ZINC000120382957 564014512 /nfs/dbraw/zinc/01/45/12/564014512.db2.gz QEHIMRBSMANJFH-MRXNPFEDSA-N 0 0 343.492 4.307 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1cc2ccccc2o1 ZINC000585148338 564014750 /nfs/dbraw/zinc/01/47/50/564014750.db2.gz ZYPKYDDCXHHLQG-QGZVFWFLSA-N 0 0 347.370 4.156 50 0 EIAARN S=C1N=NC(c2csc3c2CCCC3)N1Cc1ccccc1 ZINC000006557647 564014878 /nfs/dbraw/zinc/01/48/78/564014878.db2.gz JLJGQCJESIHQKC-UHFFFAOYSA-N 0 0 327.478 4.222 50 0 EIAARN COCCc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000189441463 564015287 /nfs/dbraw/zinc/01/52/87/564015287.db2.gz KMQQESMTVPYWGZ-HXUWFJFHSA-N 0 0 338.451 4.018 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3nncs3)c3ccccc3n2)cc1 ZINC000000483748 564016841 /nfs/dbraw/zinc/01/68/41/564016841.db2.gz BTLHASTWOAXAAE-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN CCCCCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)C ZINC000011565936 564017712 /nfs/dbraw/zinc/01/77/12/564017712.db2.gz DHNJFZQLHKWJCP-UHFFFAOYSA-N 0 0 339.501 4.164 50 0 EIAARN Cc1oc(C)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1C ZINC000024392116 564017755 /nfs/dbraw/zinc/01/77/55/564017755.db2.gz DGANHTUXOUIRTK-UHFFFAOYSA-N 0 0 340.467 4.467 50 0 EIAARN CC(C)N1C(=O)N(c2cccc3ccccc32)[C@](C)(O)CC1(C)C ZINC000000494309 564017799 /nfs/dbraw/zinc/01/77/99/564017799.db2.gz KGCSPJMRDSVBJL-HXUWFJFHSA-N 0 0 326.440 4.367 50 0 EIAARN Cc1ccc(C(=O)N2C(=O)c3ccccc3OC23CCCCC3)cc1 ZINC000000494147 564017823 /nfs/dbraw/zinc/01/78/23/564017823.db2.gz CVYFLBSLCDBCJO-UHFFFAOYSA-N 0 0 335.403 4.330 50 0 EIAARN Cc1cc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)no1 ZINC000018199878 564018757 /nfs/dbraw/zinc/01/87/57/564018757.db2.gz SYWNQNUBNQJOCX-ZDUSSCGKSA-N 0 0 329.208 4.068 50 0 EIAARN CSc1cccc(N[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000005688949 564018825 /nfs/dbraw/zinc/01/88/25/564018825.db2.gz LJYIEARUANYFLL-GFCCVEGCSA-N 0 0 328.437 4.050 50 0 EIAARN COc1cc(-c2nc3cnccn3c2Nc2ccc(C)cc2)ccc1O ZINC000018222019 564018945 /nfs/dbraw/zinc/01/89/45/564018945.db2.gz WJSRHXKYJZWAKH-UHFFFAOYSA-N 0 0 346.390 4.163 50 0 EIAARN C(c1ccccc1)=C1CCCC2C1=Nc1nnnn1[C@H]2c1ccccc1 ZINC000101175975 564019222 /nfs/dbraw/zinc/01/92/22/564019222.db2.gz YFPVJSRYLLCUBY-PZSQYBTKSA-N 0 0 341.418 4.210 50 0 EIAARN CCOc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1OCC ZINC000000503929 564019272 /nfs/dbraw/zinc/01/92/72/564019272.db2.gz RVIDAIJEYKGRSD-UHFFFAOYSA-N 0 0 340.379 4.210 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1F ZINC000013320324 564019657 /nfs/dbraw/zinc/01/96/57/564019657.db2.gz DQXAMWHUOJDPBP-UHFFFAOYSA-N 0 0 347.821 4.142 50 0 EIAARN Cc1ccsc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000102159470 564019858 /nfs/dbraw/zinc/01/98/58/564019858.db2.gz AIEJHOKPOVBUOQ-VHDGCEQUSA-N 0 0 338.469 4.217 50 0 EIAARN CNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(C)cc1C ZINC000102200690 564019913 /nfs/dbraw/zinc/01/99/13/564019913.db2.gz NQIKCKJJWXYXND-UHFFFAOYSA-N 0 0 337.379 4.096 50 0 EIAARN Cc1cccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC000102165829 564019926 /nfs/dbraw/zinc/01/99/26/564019926.db2.gz LJBOBFXTXNQJOL-RYQLBKOJSA-N 0 0 332.440 4.156 50 0 EIAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000102422810 564020028 /nfs/dbraw/zinc/02/00/28/564020028.db2.gz RIAHUMHFOFRFFL-QZTJIDSGSA-N 0 0 336.479 4.013 50 0 EIAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@H](C)C[C@H](C)C1 ZINC000102510048 564020197 /nfs/dbraw/zinc/02/01/97/564020197.db2.gz GVLDSEQXKJISGZ-GRYCIOLGSA-N 0 0 329.271 4.298 50 0 EIAARN COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1OC ZINC000000519703 564020574 /nfs/dbraw/zinc/02/05/74/564020574.db2.gz PCQMTUORUMCAHC-UHFFFAOYSA-N 0 0 330.767 4.439 50 0 biogenic EIAARN CC(=O)c1sc2nc(-c3ccco3)cc(C(F)(F)F)c2c1N ZINC000000521364 564021030 /nfs/dbraw/zinc/02/10/30/564021030.db2.gz YCTZJAQDEZZKLN-UHFFFAOYSA-N 0 0 326.299 4.360 50 0 EIAARN Cc1ccc([C@@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000000524812 564021163 /nfs/dbraw/zinc/02/11/63/564021163.db2.gz SCPISPPQCXWGRP-YADARESESA-N 0 0 347.395 4.081 50 0 EIAARN Fc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 ZINC000000531223 564021650 /nfs/dbraw/zinc/02/16/50/564021650.db2.gz KTMXCDZTOSOCSP-JKSUJKDBSA-N 0 0 328.778 4.217 50 0 EIAARN Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c(C)c1 ZINC000000534039 564022025 /nfs/dbraw/zinc/02/20/25/564022025.db2.gz BFBGBQOUZUPNIM-UHFFFAOYSA-N 0 0 347.414 4.255 50 0 EIAARN O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000046722302 564022946 /nfs/dbraw/zinc/02/29/46/564022946.db2.gz MVWMPRLNZBHMPC-ROUUACIJSA-N 0 0 349.365 4.150 50 0 EIAARN C[C@@H]1C[C@H](Nc2ncnc3c2cnn3-c2ccccc2)CC(C)(C)C1 ZINC000000552501 564022993 /nfs/dbraw/zinc/02/29/93/564022993.db2.gz MOGCLMUWPUAISZ-CABCVRRESA-N 0 0 335.455 4.442 50 0 EIAARN CC[C@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1ccccc1C ZINC000103925405 564023329 /nfs/dbraw/zinc/02/33/29/564023329.db2.gz ZYHCYGGAYWKPTD-QAPCUYQASA-N 0 0 342.508 4.243 50 0 EIAARN COC(=O)c1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000015746369 564024301 /nfs/dbraw/zinc/02/43/01/564024301.db2.gz QPJDXNGJBDLUFS-DELCKGKKSA-N 0 0 341.451 4.408 50 0 EIAARN COc1ccc(NC(=O)COc2cccc(Cl)c2)cc1Cl ZINC000005745112 564024972 /nfs/dbraw/zinc/02/49/72/564024972.db2.gz CTETXAISUSFDMI-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN CC(C)c1ncc(Cl)c(C(=O)Nc2cccc3ncccc32)n1 ZINC000120596552 564025006 /nfs/dbraw/zinc/02/50/06/564025006.db2.gz UTKYQBHIBBAIHQ-UHFFFAOYSA-N 0 0 326.787 4.054 50 0 EIAARN Cc1cc(Cl)ccc1OC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000014849315 564025092 /nfs/dbraw/zinc/02/50/92/564025092.db2.gz TWIPESGLGLDFEK-AWEZNQCLSA-N 0 0 343.810 4.145 50 0 EIAARN Cc1ccc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn32)cc1F ZINC000046913863 564025505 /nfs/dbraw/zinc/02/55/05/564025505.db2.gz ZCMFMQJKBCFHQN-UHFFFAOYSA-N 0 0 337.358 4.192 50 0 EIAARN Cc1nc2nc(-c3ccco3)nn2c(Nc2ccc(Cl)cc2)c1C ZINC000046913993 564025524 /nfs/dbraw/zinc/02/55/24/564025524.db2.gz USZVUNQLTUTGQS-UHFFFAOYSA-N 0 0 339.786 4.398 50 0 EIAARN O=C(Cc1ccc(-n2cccc2)cc1)N1CCC[C@H]1c1ccsc1 ZINC000047165723 564025823 /nfs/dbraw/zinc/02/58/23/564025823.db2.gz DFNUCYOKDWZQCE-IBGZPJMESA-N 0 0 336.460 4.445 50 0 EIAARN COC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000047583960 564026518 /nfs/dbraw/zinc/02/65/18/564026518.db2.gz BUVSOENKBLFKCZ-UHFFFAOYSA-N 0 0 347.802 4.182 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044839240 564027377 /nfs/dbraw/zinc/02/73/77/564027377.db2.gz QCLQEPGMFWQGRT-UHFFFAOYSA-N 0 0 345.377 4.299 50 0 EIAARN CCC(CC)c1nnc(NC(=O)N2CCC[C@H]2c2ccncc2)s1 ZINC000044935719 564027789 /nfs/dbraw/zinc/02/77/89/564027789.db2.gz VBCDUEKDGKOYGZ-AWEZNQCLSA-N 0 0 345.472 4.206 50 0 EIAARN CCC[C@H](c1ccccn1)N(C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000108144693 564027880 /nfs/dbraw/zinc/02/78/80/564027880.db2.gz AYUFHFUHWHRCBY-YLJYHZDGSA-N 0 0 339.483 4.499 50 0 EIAARN COc1ccc([C@H]2CC(c3ccccn3)=NN2c2ccccc2)cc1 ZINC000044973462 564027967 /nfs/dbraw/zinc/02/79/67/564027967.db2.gz AMAYVBHOQWHADI-OAQYLSRUSA-N 0 0 329.403 4.446 50 0 EIAARN O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1ccc(Cl)cc1 ZINC000045358707 564028374 /nfs/dbraw/zinc/02/83/74/564028374.db2.gz MKNQKESQBQICBG-UHFFFAOYSA-N 0 0 347.823 4.110 50 0 EIAARN CCCNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000045861003 564028705 /nfs/dbraw/zinc/02/87/05/564028705.db2.gz WJNVULJZNCBJFP-UHFFFAOYSA-N 0 0 334.419 4.467 50 0 EIAARN COc1cccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000045949883 564028984 /nfs/dbraw/zinc/02/89/84/564028984.db2.gz ZZROSBBIRVPMJN-NSHDSACASA-N 0 0 336.338 4.179 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1F ZINC000046009992 564029094 /nfs/dbraw/zinc/02/90/94/564029094.db2.gz WGZBTLPGWXRIDF-UHFFFAOYSA-N 0 0 343.358 4.267 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1C ZINC000046018277 564029244 /nfs/dbraw/zinc/02/92/44/564029244.db2.gz RVZSDPYHMNDSPP-GOSISDBHSA-N 0 0 347.455 4.277 50 0 EIAARN O=C(CCCOc1ccccc1)Nc1ccc(Oc2ncccn2)cc1 ZINC000048202695 564030017 /nfs/dbraw/zinc/03/00/17/564030017.db2.gz FKPCKRONJRAIDX-UHFFFAOYSA-N 0 0 349.390 4.067 50 0 EIAARN CC[C@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)c1ccccc1 ZINC000048202642 564030021 /nfs/dbraw/zinc/03/00/21/564030021.db2.gz YJJFADSNILVQSE-SFHVURJKSA-N 0 0 333.391 4.401 50 0 EIAARN CCCc1noc([C@H](C)Sc2nc(-c3ccc(F)cc3)c[nH]2)n1 ZINC000048314945 564030912 /nfs/dbraw/zinc/03/09/12/564030912.db2.gz HHDDRNCPOIJZSJ-JTQLQIEISA-N 0 0 332.404 4.405 50 0 EIAARN CC[C@H](NC(=O)C=Cc1ccc(F)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000048353726 564031291 /nfs/dbraw/zinc/03/12/91/564031291.db2.gz LHQDRRCTBZXEDB-HGZMWJMZSA-N 0 0 349.409 4.497 50 0 EIAARN CCN(CC)c1nc2sc(C(=O)Nc3ncccc3C)cc2s1 ZINC000048374303 564031550 /nfs/dbraw/zinc/03/15/50/564031550.db2.gz RYQRYDINENMWKY-UHFFFAOYSA-N 0 0 346.481 4.160 50 0 EIAARN O=C(Nc1ccnc(-c2cccnc2)n1)c1cccc(Cl)c1Cl ZINC000005756656 564031740 /nfs/dbraw/zinc/03/17/40/564031740.db2.gz DHSKQXVQBJNEDH-UHFFFAOYSA-N 0 0 345.189 4.098 50 0 EIAARN CCCCCOc1ccc([C@@H](C)NC(=O)c2cc(C)no2)cc1OC ZINC000048518022 564031946 /nfs/dbraw/zinc/03/19/46/564031946.db2.gz MRMKLQXWABNQOS-CQSZACIVSA-N 0 0 346.427 4.052 50 0 EIAARN O=C(Nc1cccc(-c2cnco2)c1)c1sccc1Br ZINC000048805482 564032214 /nfs/dbraw/zinc/03/22/14/564032214.db2.gz NBDQQQYVEIIFJU-UHFFFAOYSA-N 0 0 349.209 4.418 50 0 EIAARN CCc1ccccc1NC(=O)Cc1csc(Nc2ccccn2)n1 ZINC000049029541 564032438 /nfs/dbraw/zinc/03/24/38/564032438.db2.gz CSOGCNNXYMAZIQ-UHFFFAOYSA-N 0 0 338.436 4.025 50 0 EIAARN O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc(F)cc1 ZINC000005600108 564032806 /nfs/dbraw/zinc/03/28/06/564032806.db2.gz BZFFZLRAPGDXLW-BQYQJAHWSA-N 0 0 349.287 4.052 50 0 EIAARN COc1cccc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)c1 ZINC000005627172 564032865 /nfs/dbraw/zinc/03/28/65/564032865.db2.gz OSIVISAABJUPOU-ZDUSSCGKSA-N 0 0 338.432 4.363 50 0 EIAARN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c(F)cccc1F ZINC000014903688 564033133 /nfs/dbraw/zinc/03/31/33/564033133.db2.gz YHBCRRXIXWSYHH-UHFFFAOYSA-N 0 0 331.240 4.158 50 0 EIAARN CCN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1 ZINC000002739371 564033597 /nfs/dbraw/zinc/03/35/97/564033597.db2.gz NYIGRORBVKWDLL-UHFFFAOYSA-N 0 0 332.241 4.040 50 0 EIAARN COc1ccc([C@@H](NC(=O)c2ccc(-n3cccn3)cc2)C(C)C)cc1 ZINC000024770041 564033709 /nfs/dbraw/zinc/03/37/09/564033709.db2.gz ZEULAEKPXJTGQA-FQEVSTJZSA-N 0 0 349.434 4.008 50 0 EIAARN C[C@@H](Cc1nc(-c2c[nH]c3ncccc23)cs1)n1cc(Cl)cn1 ZINC000342411811 564034291 /nfs/dbraw/zinc/03/42/91/564034291.db2.gz IQEGIPDPHFXCGB-JTQLQIEISA-N 0 0 343.843 4.340 50 0 EIAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)cc1 ZINC000000800667 564034442 /nfs/dbraw/zinc/03/44/42/564034442.db2.gz XYUJAUUXQUPEFW-UHFFFAOYSA-N 0 0 336.778 4.092 50 0 EIAARN Brc1ccc(OCc2nc(-c3ccsc3)no2)cc1 ZINC000008006350 564034593 /nfs/dbraw/zinc/03/45/93/564034593.db2.gz KITWPUUZIQRSAA-UHFFFAOYSA-N 0 0 337.198 4.140 50 0 EIAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1noc2c1CCCC2 ZINC000390827312 564034674 /nfs/dbraw/zinc/03/46/74/564034674.db2.gz WXOGRPOPUYTUSR-OAHLLOKOSA-N 0 0 344.461 4.196 50 0 EIAARN CN(CC(=O)Nc1c(F)cccc1F)Cc1ccc2ccccc2c1 ZINC000008127401 564034742 /nfs/dbraw/zinc/03/47/42/564034742.db2.gz GZODTGLRZFILLW-UHFFFAOYSA-N 0 0 340.373 4.189 50 0 EIAARN Clc1ccc(-c2ccnc3nc(-c4ccco4)nn32)c(Cl)c1 ZINC000604418951 564034864 /nfs/dbraw/zinc/03/48/64/564034864.db2.gz VCFBQIZKIMCCLF-UHFFFAOYSA-N 0 0 331.162 4.358 50 0 EIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)[C@H]1CCc2ccccc2O1 ZINC000390831701 564035066 /nfs/dbraw/zinc/03/50/66/564035066.db2.gz UGMSRCBQEDNFAW-SJLPKXTDSA-N 0 0 347.524 4.293 50 0 EIAARN COCCCNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000008378600 564035481 /nfs/dbraw/zinc/03/54/81/564035481.db2.gz PQKZLKMSWLFDSD-UHFFFAOYSA-N 0 0 327.815 4.399 50 0 EIAARN Cc1nscc1C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000181987522 564035914 /nfs/dbraw/zinc/03/59/14/564035914.db2.gz SAGJYKPXSFOAIU-UHFFFAOYSA-N 0 0 343.427 4.092 50 0 EIAARN Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1ccc(F)cc1)C(=O)CCC2 ZINC000221202694 564036083 /nfs/dbraw/zinc/03/60/83/564036083.db2.gz WRVQNUYYDVQQAZ-OAHLLOKOSA-N 0 0 341.382 4.223 50 0 EIAARN Cc1cccc(/C=C(/C(=O)NCCc2ccccn2)c2cccs2)c1 ZINC000032657485 564036116 /nfs/dbraw/zinc/03/61/16/564036116.db2.gz XZAVWJAZNVCMDT-XDJHFCHBSA-N 0 0 348.471 4.351 50 0 EIAARN C/C=C/c1cc(C(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1OC ZINC000032841384 564036231 /nfs/dbraw/zinc/03/62/31/564036231.db2.gz PHCOKXGBAZBHQI-LHRNQBEKSA-N 0 0 337.419 4.328 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)c1csc(Cc2ccccc2)n1 ZINC000033145023 564036490 /nfs/dbraw/zinc/03/64/90/564036490.db2.gz YRSHTQDVLWFVTO-AWEZNQCLSA-N 0 0 334.444 4.325 50 0 EIAARN O=C(c1ccc(CO)cc1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000223572698 564040394 /nfs/dbraw/zinc/04/03/94/564040394.db2.gz RGJVBBOASDLYAN-LJQANCHMSA-N 0 0 327.399 4.076 50 0 EIAARN CN(C(=O)c1cc(F)ccc1Br)[C@@H]1CCc2ccccc21 ZINC000027823365 564042353 /nfs/dbraw/zinc/04/23/53/564042353.db2.gz NVROFKAYPIZEDY-MRXNPFEDSA-N 0 0 348.215 4.348 50 0 EIAARN Cc1cnc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)s1 ZINC000225463868 564047024 /nfs/dbraw/zinc/04/70/24/564047024.db2.gz OMJOATZVNZONNL-UHFFFAOYSA-N 0 0 334.872 4.054 50 0 EIAARN COc1cc(Cl)ccc1CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000225468301 564047041 /nfs/dbraw/zinc/04/70/41/564047041.db2.gz MNXWFOQNMIYREQ-CQSZACIVSA-N 0 0 335.835 4.192 50 0 EIAARN C[C@@H](NC(=O)c1cccnc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000030477929 564049832 /nfs/dbraw/zinc/04/98/32/564049832.db2.gz LXHMCTLXABBFPJ-SECBINFHSA-N 0 0 328.721 4.245 50 0 EIAARN Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000182103866 564049947 /nfs/dbraw/zinc/04/99/47/564049947.db2.gz SKQYHNMEQHSHIX-INIZCTEOSA-N 0 0 336.416 4.061 50 0 EIAARN Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1COc2ccccc21 ZINC000182132629 564050935 /nfs/dbraw/zinc/05/09/35/564050935.db2.gz DPCWLJVWXJBGTI-HNNXBMFYSA-N 0 0 336.416 4.233 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3ccsc3)n2)cc1OC ZINC000025013187 564051062 /nfs/dbraw/zinc/05/10/62/564051062.db2.gz TZEFHYNAPJMJPE-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(C(F)(F)F)cc12 ZINC000095616875 564051219 /nfs/dbraw/zinc/05/12/19/564051219.db2.gz LIDUAVFHEXFKOH-UHFFFAOYSA-N 0 0 328.334 4.254 50 0 EIAARN Cc1cccc(C)c1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O ZINC000239339264 564051586 /nfs/dbraw/zinc/05/15/86/564051586.db2.gz LXMXXHOFCGOTQV-GUDVDZBRSA-N 0 0 333.431 4.377 50 0 EIAARN O=C(Nc1ccnc2ccc(Oc3ccccc3)cc21)C1CCOCC1 ZINC000240894757 564051804 /nfs/dbraw/zinc/05/18/04/564051804.db2.gz IPONEIXBTXNGEX-UHFFFAOYSA-N 0 0 348.402 4.392 50 0 EIAARN CC(C)n1cc2cc(NC(=O)c3ccncc3C(F)(F)F)ccc2n1 ZINC000241719894 564052098 /nfs/dbraw/zinc/05/20/98/564052098.db2.gz QQOLUZPDUOYESX-UHFFFAOYSA-N 0 0 348.328 4.283 50 0 EIAARN Cc1csc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n1 ZINC000015007806 564052394 /nfs/dbraw/zinc/05/23/94/564052394.db2.gz FKFCIMCVAHJCEX-UHFFFAOYSA-N 0 0 332.356 4.015 50 0 EIAARN CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000025045407 564052458 /nfs/dbraw/zinc/05/24/58/564052458.db2.gz FJTJVWBRORKARW-UHFFFAOYSA-N 0 0 345.855 4.074 50 0 EIAARN Fc1c(F)c(N=NCc2ccc3c(c2)OCO3)c(F)c(F)c1Cl ZINC000003908827 564052491 /nfs/dbraw/zinc/05/24/91/564052491.db2.gz QDTVXNHEACDYIM-LRNAUUFOSA-N 0 0 346.667 4.071 50 0 EIAARN CN(Cc1cnn(C)c1)C(=O)c1cc2sc3ccccc3c2s1 ZINC000025048338 564052495 /nfs/dbraw/zinc/05/24/95/564052495.db2.gz FDALCTKEUQHMLP-UHFFFAOYSA-N 0 0 341.461 4.122 50 0 EIAARN Cc1nc(C(=O)Nc2cc(C)cc(C)c2)nn1-c1ccc(Cl)cc1 ZINC000252494809 564053505 /nfs/dbraw/zinc/05/35/05/564053505.db2.gz OFMFXDFPHZVZKB-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN C[C@@H]1CCCC[C@H]1N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000253409288 564053611 /nfs/dbraw/zinc/05/36/11/564053611.db2.gz ZYZBUARHBCRTFR-BSLALVQMSA-N 0 0 335.447 4.109 50 0 EIAARN COc1ccc([C@H](NC(=O)c2cn(C)c3ccccc23)C(C)C)cc1 ZINC000025157962 564053661 /nfs/dbraw/zinc/05/36/61/564053661.db2.gz AKLPVPGEKFOSDP-HXUWFJFHSA-N 0 0 336.435 4.314 50 0 EIAARN Brc1cnc(-c2ccc(OCc3ccccc3)cc2)nc1 ZINC000000976712 564053813 /nfs/dbraw/zinc/05/38/13/564053813.db2.gz JBNYEPSNTIGHEL-UHFFFAOYSA-N 0 0 341.208 4.485 50 0 EIAARN CC(C)(C)n1ncc(Sc2ccc(Cl)cc2)c(Cl)c1=O ZINC000001009777 564054067 /nfs/dbraw/zinc/05/40/67/564054067.db2.gz KWMKNZKAGVVOPE-UHFFFAOYSA-N 0 0 329.252 4.456 50 0 EIAARN O=C1S/C(=C\c2cccc(O)c2)C(=O)N1Cc1ccccc1Cl ZINC000001013038 564054083 /nfs/dbraw/zinc/05/40/83/564054083.db2.gz NCOAQGMOCKLEQB-DHDCSXOGSA-N 0 0 345.807 4.282 50 0 EIAARN COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000001011368 564054097 /nfs/dbraw/zinc/05/40/97/564054097.db2.gz OKFZNTLFBUIASJ-MHWRWJLKSA-N 0 0 343.379 4.071 50 0 EIAARN Cc1nn(Cc2cccc(C(=O)Nc3ccccc3)c2)c(C)c1Cl ZINC000001069220 564054281 /nfs/dbraw/zinc/05/42/81/564054281.db2.gz ULSUTWURFVJEFR-UHFFFAOYSA-N 0 0 339.826 4.454 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]21C=CC(=O)O1 ZINC000257355912 564055920 /nfs/dbraw/zinc/05/59/20/564055920.db2.gz DMEFWCRLNXTGFD-UORBNBSKSA-N 0 0 342.479 4.162 50 0 EIAARN COc1ccc(C(=O)[C@H]2CC[C@](C)(C(=O)OC(C)C)C2(C)C)cc1 ZINC000261491584 564056135 /nfs/dbraw/zinc/05/61/35/564056135.db2.gz IVRJEPDASBUPCH-OXQOHEQNSA-N 0 0 332.440 4.272 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000333432626 564056323 /nfs/dbraw/zinc/05/63/23/564056323.db2.gz KHNHIWUASASTSW-DLBZAZTESA-N 0 0 329.444 4.125 50 0 EIAARN Fc1cc(Br)cc(OC(F)(F)F)c1Br ZINC000263623207 564056470 /nfs/dbraw/zinc/05/64/70/564056470.db2.gz FQHUDMXHDSLRLU-UHFFFAOYSA-N 0 0 337.892 4.249 50 0 EIAARN COc1cccc2[nH]cc(CC(=O)N(c3ccccn3)C3CCCC3)c21 ZINC000183137530 564056579 /nfs/dbraw/zinc/05/65/79/564056579.db2.gz IFBOZKJLOHBKAY-UHFFFAOYSA-N 0 0 349.434 4.090 50 0 EIAARN COc1ccc(N2C(=O)c3ccccc3N[C@]23C[C@H]2CC=C[C@@H]23)cc1 ZINC000005867976 564056730 /nfs/dbraw/zinc/05/67/30/564056730.db2.gz LCYMPMHYRUSCCD-YMTYPPQLSA-N 0 0 332.403 4.060 50 0 EIAARN S=C1N=NC([C@H]2C[C@@H]2c2ccccc2)N1c1ccccc1Cl ZINC000005927505 564057052 /nfs/dbraw/zinc/05/70/52/564057052.db2.gz MXSIORKOPSDDFW-OLZOCXBDSA-N 0 0 327.840 4.481 50 0 EIAARN Fc1ccc(NC(=S)N[C@@H]2CCOc3ccccc32)cc1Cl ZINC000005937817 564057134 /nfs/dbraw/zinc/05/71/34/564057134.db2.gz VBQIVORFIREBDR-CQSZACIVSA-N 0 0 336.819 4.289 50 0 EIAARN CCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000001927066 564058110 /nfs/dbraw/zinc/05/81/10/564058110.db2.gz QNGQFQPAEWMMFT-UHFFFAOYSA-N 0 0 327.815 4.030 50 0 EIAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1 ZINC000003237491 564058594 /nfs/dbraw/zinc/05/85/94/564058594.db2.gz NNQPAEUIORKJOW-JUVOFCAFSA-N 0 0 337.504 4.172 50 0 EIAARN O=C(CCC1CCCCC1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 ZINC000012550103 564059087 /nfs/dbraw/zinc/05/90/87/564059087.db2.gz GHWPBUVQHNCBDI-SFHVURJKSA-N 0 0 325.456 4.170 50 0 EIAARN Cc1sc2[nH]c([C@H](C)Nc3ccc(C)c(C)c3)nc(=O)c2c1C ZINC000012554194 564059280 /nfs/dbraw/zinc/05/92/80/564059280.db2.gz OCYMXENNAXENPR-LBPRGKRZSA-N 0 0 327.453 4.391 50 0 EIAARN Cc1sc2nc(-c3cccnc3)nc(NCc3ccccn3)c2c1C ZINC000012558079 564059375 /nfs/dbraw/zinc/05/93/75/564059375.db2.gz SPTJHTMPANVLMU-UHFFFAOYSA-N 0 0 347.447 4.377 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccccn3)nc3ccccc32)C1 ZINC000012562560 564059607 /nfs/dbraw/zinc/05/96/07/564059607.db2.gz QGWSBWXVCRPTJL-IYBDPMFKSA-N 0 0 345.446 4.415 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1Cl ZINC000012565332 564059718 /nfs/dbraw/zinc/05/97/18/564059718.db2.gz GFCMPDAEIFSTRB-GFCCVEGCSA-N 0 0 344.842 4.276 50 0 EIAARN C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccccc1 ZINC000003501131 564059837 /nfs/dbraw/zinc/05/98/37/564059837.db2.gz LJWZYGSLUBHFAG-JTQLQIEISA-N 0 0 331.828 4.336 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1Cl ZINC000012580276 564060027 /nfs/dbraw/zinc/06/00/27/564060027.db2.gz DCUNZHAHZDPUAH-LBPRGKRZSA-N 0 0 325.799 4.221 50 0 EIAARN O=C(NCc1ccc(F)cc1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447768 564060122 /nfs/dbraw/zinc/06/01/22/564060122.db2.gz FILKENNINFSDCL-UHFFFAOYSA-N 0 0 346.349 4.161 50 0 EIAARN COc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1O ZINC000012604681 564060476 /nfs/dbraw/zinc/06/04/76/564060476.db2.gz TUDADWWUHUODCR-HXUWFJFHSA-N 0 0 343.386 4.390 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)c2cn(C)c3ccccc23)c1 ZINC000012610068 564060593 /nfs/dbraw/zinc/06/05/93/564060593.db2.gz BYKZIPQVBFJVEV-UHFFFAOYSA-N 0 0 338.407 4.228 50 0 EIAARN CSc1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)COC3)C2 ZINC000299770011 564060794 /nfs/dbraw/zinc/06/07/94/564060794.db2.gz OEWXFWFBAGPUOV-UHFFFAOYSA-N 0 0 340.448 4.029 50 0 EIAARN O=[S@@](Cc1nnc(Cc2ccccc2)o1)c1ccc2ccccc2c1 ZINC000083078034 564060992 /nfs/dbraw/zinc/06/09/92/564060992.db2.gz RXCCIBRVQXDXSZ-RUZDIDTESA-N 0 0 348.427 4.121 50 0 EIAARN Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@@H]2CC2(C)C)s1 ZINC000534582796 564061128 /nfs/dbraw/zinc/06/11/28/564061128.db2.gz MXLSAMQYWIMLHR-INIZCTEOSA-N 0 0 343.496 4.209 50 0 EIAARN CCCC[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccnc1 ZINC000534654331 564061462 /nfs/dbraw/zinc/06/14/62/564061462.db2.gz FUHADAVOGVVDDH-GOSISDBHSA-N 0 0 332.394 4.340 50 0 EIAARN O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc2[nH]cnc2c1 ZINC000263588753 564061967 /nfs/dbraw/zinc/06/19/67/564061967.db2.gz XYHJCFKENZVBNC-KRWDZBQOSA-N 0 0 336.420 4.044 50 0 EIAARN COc1ccccc1CNC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000032106447 564063245 /nfs/dbraw/zinc/06/32/45/564063245.db2.gz BUJSBMHEDZXLAD-UHFFFAOYSA-N 0 0 340.810 4.069 50 0 EIAARN COc1ccc([C@@H]2CCN(C(=O)Nc3c(C)cccc3F)C2)cc1 ZINC000184476811 564063335 /nfs/dbraw/zinc/06/33/35/564063335.db2.gz QCENWJQXSGUPET-OAHLLOKOSA-N 0 0 328.387 4.164 50 0 EIAARN O=C(CSCc1ccccc1)OCc1cc(-c2cccs2)on1 ZINC000012727055 564063878 /nfs/dbraw/zinc/06/38/78/564063878.db2.gz GDPRJVQHZCKRKC-UHFFFAOYSA-N 0 0 345.445 4.380 50 0 EIAARN Cc1nc2c(cccc2-c2noc([C@@H](C)CCOc3ccccc3)n2)[nH]1 ZINC000559981447 564064013 /nfs/dbraw/zinc/06/40/13/564064013.db2.gz MMZYYXMVTZZXJG-ZDUSSCGKSA-N 0 0 348.406 4.494 50 0 EIAARN COc1ccc(CN(C(=O)C(F)(F)F)c2ccc(Cl)cc2)cc1 ZINC000001382975 564064075 /nfs/dbraw/zinc/06/40/75/564064075.db2.gz FDEBBDZNRJRONT-UHFFFAOYSA-N 0 0 343.732 4.444 50 0 EIAARN COc1cc2ncnc(Nc3ccc(Cl)cc3C)c2cc1OC ZINC000001386799 564064233 /nfs/dbraw/zinc/06/42/33/564064233.db2.gz DHTSUZUSZQALED-UHFFFAOYSA-N 0 0 329.787 4.352 50 0 EIAARN O=C(Nc1ccc(-c2ccc(Cl)cc2)oc1=O)c1cccs1 ZINC000001392443 564064541 /nfs/dbraw/zinc/06/45/41/564064541.db2.gz FBLKYKHZWQPCBS-UHFFFAOYSA-N 0 0 331.780 4.274 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)[C@H]1Cc2c(ccc3ccccc23)O1 ZINC000001394654 564064668 /nfs/dbraw/zinc/06/46/68/564064668.db2.gz MWACKHFHQWTGPZ-LJQANCHMSA-N 0 0 337.806 4.113 50 0 EIAARN O=c1cc(Oc2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cn12 ZINC000012736813 564064703 /nfs/dbraw/zinc/06/47/03/564064703.db2.gz VZQKZBGQDSIXDT-UHFFFAOYSA-N 0 0 341.581 4.447 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000083943897 564064994 /nfs/dbraw/zinc/06/49/94/564064994.db2.gz QFAWQQNGFBZYOO-AABGKKOBSA-N 0 0 336.435 4.098 50 0 EIAARN O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1F ZINC000012742576 564065451 /nfs/dbraw/zinc/06/54/51/564065451.db2.gz GIWCHRXIFCETEL-UHFFFAOYSA-N 0 0 331.343 4.445 50 0 EIAARN Cc1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 ZINC000001411894 564065624 /nfs/dbraw/zinc/06/56/24/564065624.db2.gz APSWCLAMRIMHSE-HXUWFJFHSA-N 0 0 346.455 4.339 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000084028851 564065877 /nfs/dbraw/zinc/06/58/77/564065877.db2.gz PKODJPPMFIXXLY-PZJWPPBQSA-N 0 0 328.415 4.343 50 0 EIAARN Cc1nc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)oc1C ZINC000084061571 564066034 /nfs/dbraw/zinc/06/60/34/564066034.db2.gz SESAFAYZEWSSJD-CYBMUJFWSA-N 0 0 342.424 4.270 50 0 EIAARN COc1cc(Nc2ncnc3sc(C)cc32)c(OC)cc1Cl ZINC000016649258 564066069 /nfs/dbraw/zinc/06/60/69/564066069.db2.gz 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/nfs/dbraw/zinc/06/72/14/564067214.db2.gz RQOCRZFPFIRCFD-UHFFFAOYSA-N 0 0 349.346 4.052 50 0 EIAARN CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000012756604 564067313 /nfs/dbraw/zinc/06/73/13/564067313.db2.gz RMTZGMULKCSSHS-UHFFFAOYSA-N 0 0 348.855 4.022 50 0 EIAARN Cc1coc(-c2cccc(NC(=O)c3c(F)cc(F)cc3F)c2)n1 ZINC000084265454 564067554 /nfs/dbraw/zinc/06/75/54/564067554.db2.gz VSSOUXORRLRQBS-UHFFFAOYSA-N 0 0 332.281 4.320 50 0 EIAARN Cc1nc(Cl)cc(Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1 ZINC000084271836 564067636 /nfs/dbraw/zinc/06/76/36/564067636.db2.gz AQFFVMNJWGDWPU-UHFFFAOYSA-N 0 0 333.819 4.240 50 0 EIAARN Cc1cc(C)c(C)c(SCC(=O)Nc2ccnn2C(C)C)c1C ZINC000012762144 564067819 /nfs/dbraw/zinc/06/78/19/564067819.db2.gz CZZIFHPRJABVPH-UHFFFAOYSA-N 0 0 331.485 4.428 50 0 EIAARN Brc1cc(CSc2nnc3n2CCCCC3)cs1 ZINC000084338601 564067827 /nfs/dbraw/zinc/06/78/27/564067827.db2.gz JJKVHAPWLJPOFI-UHFFFAOYSA-N 0 0 344.303 4.121 50 0 EIAARN O=C(NC1(c2nccs2)CCCC1)c1ncoc1-c1cccs1 ZINC000084442254 564068163 /nfs/dbraw/zinc/06/81/63/564068163.db2.gz SNMGSVFGIMYLFK-UHFFFAOYSA-N 0 0 345.449 4.059 50 0 EIAARN Cc1nc(Sc2nc(-c3ccncc3)nc3ccccc32)oc1C ZINC000012768596 564068395 /nfs/dbraw/zinc/06/83/95/564068395.db2.gz LYEYOIOWWALLLN-UHFFFAOYSA-N 0 0 334.404 4.448 50 0 EIAARN O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCCCC1 ZINC000084562902 564068731 /nfs/dbraw/zinc/06/87/31/564068731.db2.gz CSBMPOROMLXPJZ-UHFFFAOYSA-N 0 0 331.419 4.165 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012772421 564069054 /nfs/dbraw/zinc/06/90/54/564069054.db2.gz MAPWXQIKEDYIQH-FQEVSTJZSA-N 0 0 334.419 4.083 50 0 EIAARN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCCC1=CCCCC1 ZINC000084651628 564069371 /nfs/dbraw/zinc/06/93/71/564069371.db2.gz PEHSZQSXMONZJG-OYLFLEFRSA-N 0 0 348.512 4.017 50 0 EIAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1=O ZINC000015614621 564069391 /nfs/dbraw/zinc/06/93/91/564069391.db2.gz MNXZPXJGBMIJPD-FMIVXFBMSA-N 0 0 340.810 4.119 50 0 EIAARN CCOc1ccc2c(c1)CN(c1ccc(Br)cc1)CO2 ZINC000002503452 564070657 /nfs/dbraw/zinc/07/06/57/564070657.db2.gz SKHOPTMEJIGMAF-UHFFFAOYSA-N 0 0 334.213 4.204 50 0 EIAARN CCc1nc(SC)ncc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015681129 564070738 /nfs/dbraw/zinc/07/07/38/564070738.db2.gz BVASACGHWKHBKG-UHFFFAOYSA-N 0 0 341.358 4.032 50 0 EIAARN CC1=C(C(=O)Nc2c(C)cc(C)cc2C)C2(CCC(C)CC2)OC1=O ZINC000005058752 564071458 /nfs/dbraw/zinc/07/14/58/564071458.db2.gz OEIMJRNFXWPWJN-UHFFFAOYSA-N 0 0 341.451 4.373 50 0 EIAARN Cc1c(C(=O)NCc2ccccc2)oc2c1[C@H]1N=C(C)S[C@H]1CC2 ZINC000015730025 564072663 /nfs/dbraw/zinc/07/26/63/564072663.db2.gz FZGXMEVKEVVHQY-RDJZCZTQSA-N 0 0 340.448 4.039 50 0 EIAARN O=C(N[C@H]1CCc2ccccc21)c1ccccc1C(=O)c1ccccc1 ZINC000012810649 564072794 /nfs/dbraw/zinc/07/27/94/564072794.db2.gz ATZAZOUEUVHPPV-NRFANRHFSA-N 0 0 341.410 4.335 50 0 EIAARN Cc1ccc(NCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 ZINC000085430880 564073114 /nfs/dbraw/zinc/07/31/14/564073114.db2.gz LDYHTZBYAKOHHO-YBEGLDIGSA-N 0 0 342.395 4.240 50 0 EIAARN CC(C)n1ncc2c1NC(=O)CS[C@H]2c1cccc2cccnc21 ZINC000085432499 564073121 /nfs/dbraw/zinc/07/31/21/564073121.db2.gz RASNDUCJQQOXFF-KRWDZBQOSA-N 0 0 338.436 4.436 50 0 EIAARN CCOc1ccc(C(=O)CSc2ncnc3sccc32)cc1 ZINC000006082887 564073632 /nfs/dbraw/zinc/07/36/32/564073632.db2.gz VXEVILIYEQKUGS-UHFFFAOYSA-N 0 0 330.434 4.065 50 0 EIAARN Cc1ccccc1NC(=O)NCCCn1ccnc1-c1ccccc1 ZINC000085555128 564073876 /nfs/dbraw/zinc/07/38/76/564073876.db2.gz AWRGISLSHBNCJQ-UHFFFAOYSA-N 0 0 334.423 4.070 50 0 EIAARN Cc1cnc(CN[C@@H](c2nc3ccccc3n2C)c2ccccc2)s1 ZINC000185458197 564073916 /nfs/dbraw/zinc/07/39/16/564073916.db2.gz AICQPHZKPNOQEQ-LJQANCHMSA-N 0 0 348.475 4.217 50 0 EIAARN O=C(Nn1cnc2ccccc21)c1cc2c(s1)-c1ccccc1CC2 ZINC000012822073 564074627 /nfs/dbraw/zinc/07/46/27/564074627.db2.gz NILTXFNDMSKZIA-UHFFFAOYSA-N 0 0 345.427 4.247 50 0 EIAARN Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c1 ZINC000000367163 564075136 /nfs/dbraw/zinc/07/51/36/564075136.db2.gz DZRJLYMKRRRLBH-UHFFFAOYSA-N 0 0 337.448 4.318 50 0 EIAARN Cc1ccnc(-c2ccc(NCc3noc(-c4ccsc4)n3)cc2)n1 ZINC000086208616 564075360 /nfs/dbraw/zinc/07/53/60/564075360.db2.gz JYXJEVRGDPAEGT-UHFFFAOYSA-N 0 0 349.419 4.176 50 0 EIAARN Cc1cc(C)cc(C2(C(=O)N(C)Cc3nc4ccccc4[nH]3)CCC2)c1 ZINC000063724118 564075758 /nfs/dbraw/zinc/07/57/58/564075758.db2.gz DQSUWVXZEGXPEK-UHFFFAOYSA-N 0 0 347.462 4.260 50 0 EIAARN COc1ccc(-c2cc(Nc3cccc(C(C)=O)c3)nc(C)n2)cc1 ZINC000015859144 564076818 /nfs/dbraw/zinc/07/68/18/564076818.db2.gz UVJYJWBXOOUJQH-UHFFFAOYSA-N 0 0 333.391 4.407 50 0 EIAARN CCN(CC)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1 ZINC000006152674 564076869 /nfs/dbraw/zinc/07/68/69/564076869.db2.gz KISLXZWXMKXZHX-UHFFFAOYSA-N 0 0 326.440 4.249 50 0 EIAARN CN(C(=O)c1cccc(COc2cccc(F)c2)c1)c1nccs1 ZINC000074465357 564077539 /nfs/dbraw/zinc/07/75/39/564077539.db2.gz PLEOKNCNKNCUKQ-UHFFFAOYSA-N 0 0 342.395 4.138 50 0 EIAARN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cccc2cccnc21 ZINC000012890739 564077575 /nfs/dbraw/zinc/07/75/75/564077575.db2.gz VNVBQRIPFAKWGC-UHFFFAOYSA-N 0 0 346.308 4.063 50 0 EIAARN COc1ccc(C(C)=O)cc1CN(Cc1ccco1)Cc1ccco1 ZINC000012900460 564077719 /nfs/dbraw/zinc/07/77/19/564077719.db2.gz UIDDCFYMQHBCCS-UHFFFAOYSA-N 0 0 339.391 4.286 50 0 EIAARN Cc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012906220 564077828 /nfs/dbraw/zinc/07/78/28/564077828.db2.gz ZVUDUCNDWBZYDT-UHFFFAOYSA-N 0 0 345.446 4.204 50 0 EIAARN Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1C(C)(C)C ZINC000012910702 564077928 /nfs/dbraw/zinc/07/79/28/564077928.db2.gz FILWUHCXHNXZMI-UHFFFAOYSA-N 0 0 334.423 4.126 50 0 EIAARN c1coc(CN(Cc2ccco2)Cc2nc(-c3cccs3)no2)c1 ZINC000012911334 564077958 /nfs/dbraw/zinc/07/79/58/564077958.db2.gz KFYZUWJQAJIPEJ-UHFFFAOYSA-N 0 0 341.392 4.187 50 0 EIAARN O=C(NC1CC1)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000012924682 564078480 /nfs/dbraw/zinc/07/84/80/564078480.db2.gz TVNMGOYEUHPSEM-INIZCTEOSA-N 0 0 336.218 4.392 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)CCNC(=O)c1cccs1 ZINC000012927007 564078538 /nfs/dbraw/zinc/07/85/38/564078538.db2.gz UTDYTOYCPJWNMY-CYBMUJFWSA-N 0 0 330.453 4.020 50 0 EIAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H](C)c1ccccc1C ZINC000012931588 564078760 /nfs/dbraw/zinc/07/87/60/564078760.db2.gz QRKGVFFGJPGBNG-ZDUSSCGKSA-N 0 0 342.464 4.204 50 0 EIAARN O=C(/C=C/c1ccco1)NCCc1ccc(-c2ccsc2)s1 ZINC000575414006 564078864 /nfs/dbraw/zinc/07/88/64/564078864.db2.gz INZWQILGJZJTEP-ZZXKWVIFSA-N 0 0 329.446 4.442 50 0 EIAARN O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H](OCC2CC2)C1 ZINC000575414530 564078890 /nfs/dbraw/zinc/07/88/90/564078890.db2.gz WAQPDMXCOIHJAP-QGZVFWFLSA-N 0 0 327.449 4.056 50 0 EIAARN O=C(N[C@@H](c1nccs1)C1CC1)N(Cc1cccs1)C1CC1 ZINC000074707814 564079021 /nfs/dbraw/zinc/07/90/21/564079021.db2.gz AFLXUQPBVAEYCL-CQSZACIVSA-N 0 0 333.482 4.030 50 0 EIAARN Cc1nc(CSc2cccc[n+]2[O-])oc1-c1ccc(Cl)cc1 ZINC000075108795 564080255 /nfs/dbraw/zinc/08/02/55/564080255.db2.gz RXXQWWWOTSZXPW-UHFFFAOYSA-N 0 0 332.812 4.229 50 0 EIAARN Cc1nc(CC(=O)Nc2cccc(N3CCCCCC3)c2)cs1 ZINC000075145178 564080738 /nfs/dbraw/zinc/08/07/38/564080738.db2.gz 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/nfs/dbraw/zinc/08/31/67/564083167.db2.gz KTGJNWOMPFEZSO-NSHDSACASA-N 0 0 343.448 4.220 50 0 EIAARN Cc1cc(C)n([C@H](CNC(=O)Nc2cccs2)c2ccsc2)n1 ZINC000575614658 564083332 /nfs/dbraw/zinc/08/33/32/564083332.db2.gz ZZFRILOKIJDBLJ-CQSZACIVSA-N 0 0 346.481 4.034 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc(F)cc1 ZINC000006307493 564083776 /nfs/dbraw/zinc/08/37/76/564083776.db2.gz ZSNHSJIPEAVWIQ-UHFFFAOYSA-N 0 0 331.387 4.149 50 0 EIAARN O=C(NCc1nccnc1-c1cccs1)Nc1ccccc1Cl ZINC000575619339 564083807 /nfs/dbraw/zinc/08/38/07/564083807.db2.gz DKLCDDDAUGGXEW-UHFFFAOYSA-N 0 0 344.827 4.180 50 0 EIAARN O=C(NCc1cncc(-c2ccco2)c1)c1cc2ccccc2s1 ZINC000575619435 564083816 /nfs/dbraw/zinc/08/38/16/564083816.db2.gz SYSFLPJFFXQNNJ-UHFFFAOYSA-N 0 0 334.400 4.486 50 0 EIAARN CC(C)Sc1ccc(CC(=O)NCc2cncc(C3CC3)c2)cc1 ZINC000575620478 564083904 /nfs/dbraw/zinc/08/39/04/564083904.db2.gz TVFMXVDERXGMLO-UHFFFAOYSA-N 0 0 340.492 4.318 50 0 EIAARN CC1=C(C(=O)Nc2cccc(Cl)c2C)C2(CCCCC2)OC1=O ZINC000006772355 564084894 /nfs/dbraw/zinc/08/48/94/564084894.db2.gz AKLBSXWRGOFMAY-UHFFFAOYSA-N 0 0 333.815 4.163 50 0 EIAARN Cc1csc(SCC2CCN(C(=O)c3ccsc3)CC2)n1 ZINC000090608127 564084923 /nfs/dbraw/zinc/08/49/23/564084923.db2.gz IMDNWZSVZUYQJD-UHFFFAOYSA-N 0 0 338.523 4.158 50 0 EIAARN O=C(/C=C/c1ccco1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612287 564084981 /nfs/dbraw/zinc/08/49/81/564084981.db2.gz WJSIORIKWDSYFG-AATRIKPKSA-N 0 0 327.405 4.219 50 0 EIAARN COc1ccc(C(=O)N(Cc2ccoc2)Cc2cccs2)cc1 ZINC000090612080 564085064 /nfs/dbraw/zinc/08/50/64/564085064.db2.gz ARANZZFDZFZACS-UHFFFAOYSA-N 0 0 327.405 4.192 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)OCc1coc(-c2cccs2)n1 ZINC000006383985 564085427 /nfs/dbraw/zinc/08/54/27/564085427.db2.gz PWOVCCBBCCFWKX-UHFFFAOYSA-N 0 0 338.388 4.170 50 0 EIAARN Cc1ccc(F)cc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000006388801 564085476 /nfs/dbraw/zinc/08/54/76/564085476.db2.gz DHEYEUPQCZVVHY-UHFFFAOYSA-N 0 0 326.396 4.439 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=S)NC1CCCCC1 ZINC000006401962 564085596 /nfs/dbraw/zinc/08/55/96/564085596.db2.gz VWBRIRBUKLZLQQ-UHFFFAOYSA-N 0 0 340.514 4.161 50 0 EIAARN CSc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006415956 564085615 /nfs/dbraw/zinc/08/56/15/564085615.db2.gz PSBOHOIKXDXOCL-UHFFFAOYSA-N 0 0 347.383 4.228 50 0 EIAARN CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000012982541 564085690 /nfs/dbraw/zinc/08/56/90/564085690.db2.gz HIACLDBXHQFSQP-HNNXBMFYSA-N 0 0 347.414 4.299 50 0 EIAARN COc1cccc(CNC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000013010805 564086535 /nfs/dbraw/zinc/08/65/35/564086535.db2.gz FPEYLLKJPYOGIQ-OAHLLOKOSA-N 0 0 334.419 4.409 50 0 EIAARN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(C(F)(F)F)c1 ZINC000013012523 564086752 /nfs/dbraw/zinc/08/67/52/564086752.db2.gz USROKFBVZGTHCS-UHFFFAOYSA-N 0 0 348.324 4.306 50 0 EIAARN O=C(CCC(=O)c1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000013019482 564086876 /nfs/dbraw/zinc/08/68/76/564086876.db2.gz FUHKFLLDXLKUNE-UHFFFAOYSA-N 0 0 345.870 4.388 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F ZINC000013019276 564086883 /nfs/dbraw/zinc/08/68/83/564086883.db2.gz GQQVPAQSKSDLBC-UHFFFAOYSA-N 0 0 345.704 4.256 50 0 EIAARN Cc1ccc(-c2nocc2CCC(=O)NCc2ccccc2F)cc1 ZINC000075510182 564087359 /nfs/dbraw/zinc/08/73/59/564087359.db2.gz PKWJIPXNKYWMAO-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCCCC[C@H]1c1ccncc1 ZINC000241969582 564088439 /nfs/dbraw/zinc/08/84/39/564088439.db2.gz UXOVRRGRJJDKIX-ZCNNSNEGSA-N 0 0 338.426 4.468 50 0 EIAARN Cc1[nH]nc(NC(=O)COc2cccc(C)c2C)c1-c1ccccc1 ZINC000075544591 564088612 /nfs/dbraw/zinc/08/86/12/564088612.db2.gz BZGLEYLFUXZLFC-UHFFFAOYSA-N 0 0 335.407 4.019 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ncccc1C(F)(F)F ZINC000092213162 564088907 /nfs/dbraw/zinc/08/89/07/564088907.db2.gz DXUHQUUTFCTVFM-UHFFFAOYSA-N 0 0 346.711 4.165 50 0 EIAARN CS(=O)(=O)Cc1ccc(Cl)cc1N[C@H]1CCC[C@@H](C2CC2)C1 ZINC000092169865 564088910 /nfs/dbraw/zinc/08/89/10/564088910.db2.gz VXCOAILFJZCUIU-CJNGLKHVSA-N 0 0 341.904 4.265 50 0 EIAARN CC(C)c1noc([C@H](C)N[C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000248714093 564089301 /nfs/dbraw/zinc/08/93/01/564089301.db2.gz DKSRRGLLRSZUNQ-ZMSDIMECSA-N 0 0 329.444 4.012 50 0 EIAARN Cc1ccc(OCCCC(=O)Nc2nnc(C(C)C)s2)c(C)c1 ZINC000001914031 564089967 /nfs/dbraw/zinc/08/99/67/564089967.db2.gz JDHWKLDVLMHBEY-UHFFFAOYSA-N 0 0 333.457 4.076 50 0 EIAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000001934312 564090278 /nfs/dbraw/zinc/09/02/78/564090278.db2.gz SOJMJZAHSHEQDT-UHFFFAOYSA-N 0 0 345.398 4.000 50 0 EIAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001961898 564090394 /nfs/dbraw/zinc/09/03/94/564090394.db2.gz CITZCWMAZSCPJZ-UHFFFAOYSA-N 0 0 325.408 4.088 50 0 EIAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Cl)cc1 ZINC000001993580 564090409 /nfs/dbraw/zinc/09/04/09/564090409.db2.gz WBYUUJDRUOSWMU-UHFFFAOYSA-N 0 0 345.826 4.260 50 0 EIAARN CCOc1ccccc1OCC(=O)c1ccc(Br)s1 ZINC000006507237 564091137 /nfs/dbraw/zinc/09/11/37/564091137.db2.gz RIFOFNCPGXHKIA-UHFFFAOYSA-N 0 0 341.226 4.171 50 0 EIAARN Cc1ccc([C@H]2C[C@H]2C2N=NC(=S)N2c2ccc(F)cc2)cc1 ZINC000006533848 564091665 /nfs/dbraw/zinc/09/16/65/564091665.db2.gz VUDWBEWIOGNWKC-HZPDHXFCSA-N 0 0 325.412 4.275 50 0 EIAARN Cc1nc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cs1 ZINC000006549683 564091854 /nfs/dbraw/zinc/09/18/54/564091854.db2.gz DYSLGYKHHNARHZ-UHFFFAOYSA-N 0 0 328.466 4.202 50 0 EIAARN O=C(Nc1nc(-c2ccncc2)cs1)c1c(F)cccc1Cl ZINC000006579658 564092195 /nfs/dbraw/zinc/09/21/95/564092195.db2.gz NWBYYAXJHQJWHO-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN CCOC(=O)c1c2ccccc2oc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000064557255 564092200 /nfs/dbraw/zinc/09/22/00/564092200.db2.gz OUDQVAVVTMRPAP-MRXNPFEDSA-N 0 0 338.407 4.275 50 0 EIAARN Fc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000006584520 564092325 /nfs/dbraw/zinc/09/23/25/564092325.db2.gz PRDNNQLUOHGMFU-HOTGVXAUSA-N 0 0 328.778 4.217 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)o1 ZINC000006588779 564092357 /nfs/dbraw/zinc/09/23/57/564092357.db2.gz DSIXUZOYOBVUNL-UHFFFAOYSA-N 0 0 330.434 4.442 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000006599677 564092572 /nfs/dbraw/zinc/09/25/72/564092572.db2.gz JBSIKKAYOFKUEK-FQEVSTJZSA-N 0 0 343.426 4.459 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089529270 564092688 /nfs/dbraw/zinc/09/26/88/564092688.db2.gz OACCLSHGWKLGFO-MOPGFXCFSA-N 0 0 334.419 4.207 50 0 EIAARN COc1ccc(NC(=O)N(C)Cc2csc(C(C)C)n2)c(F)c1 ZINC000426410497 564093679 /nfs/dbraw/zinc/09/36/79/564093679.db2.gz KQKQBBFPXGUNGE-UHFFFAOYSA-N 0 0 337.420 4.078 50 0 EIAARN CN(C(=O)c1ccc(-c2nccn2C)cc1)[C@H]1CCCc2ccccc21 ZINC000426471349 564093809 /nfs/dbraw/zinc/09/38/09/564093809.db2.gz KZOUKVQMLGNPFP-FQEVSTJZSA-N 0 0 345.446 4.237 50 0 EIAARN Cc1cc(CNC(=O)N(Cc2ccc(C)s2)C2CCCC2)no1 ZINC000426548533 564094093 /nfs/dbraw/zinc/09/40/93/564094093.db2.gz OJCMORQRGZJJBW-UHFFFAOYSA-N 0 0 333.457 4.007 50 0 EIAARN OCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000002493152 564094209 /nfs/dbraw/zinc/09/42/09/564094209.db2.gz 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/nfs/dbraw/zinc/09/49/73/564094973.db2.gz RRBSWLSZDNSZOD-MRXNPFEDSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1ccc(-c2cn3ccn(-c4ccc(C)c(C)c4)c(=O)c3n2)cc1 ZINC000064670298 564095023 /nfs/dbraw/zinc/09/50/23/564095023.db2.gz KYODUTUOIOOCRE-UHFFFAOYSA-N 0 0 329.403 4.077 50 0 EIAARN CCc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)cc1 ZINC000064664202 564095092 /nfs/dbraw/zinc/09/50/92/564095092.db2.gz XTQKREDSRUNCLB-UHFFFAOYSA-N 0 0 347.447 4.202 50 0 EIAARN Cc1ccc(-c2cn3ccn(-c4ccc(Cl)cc4)c(=O)c3n2)cc1C ZINC000064675419 564095120 /nfs/dbraw/zinc/09/51/20/564095120.db2.gz XFSPKUSTFNSPJV-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3cc(C)cc(C)c3)cs2)n1C ZINC000064676593 564095211 /nfs/dbraw/zinc/09/52/11/564095211.db2.gz POKIZERKXRCUHZ-UHFFFAOYSA-N 0 0 325.437 4.326 50 0 EIAARN COc1ccc(-c2noc(-c3ccc(NC4CCCC4)nc3)n2)cc1 ZINC000064676820 564095224 /nfs/dbraw/zinc/09/52/24/564095224.db2.gz BSEUAAYRWLZIAR-UHFFFAOYSA-N 0 0 336.395 4.162 50 0 EIAARN O=C(c1ccccc1F)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000064678095 564095317 /nfs/dbraw/zinc/09/53/17/564095317.db2.gz XSYDKQSYYOBQRI-UHFFFAOYSA-N 0 0 345.389 4.286 50 0 EIAARN CSc1nc2c3c(sc2c(N2CCCCC2)n1)CC(C)(C)OC3 ZINC000006662028 564095614 /nfs/dbraw/zinc/09/56/14/564095614.db2.gz UVMHWSALFUSVEW-UHFFFAOYSA-N 0 0 349.525 4.255 50 0 EIAARN CCSc1nc2ccccc2n1Cc1nnc(-c2ccccc2)o1 ZINC000006665606 564095666 /nfs/dbraw/zinc/09/56/66/564095666.db2.gz FXQFZJNKDXRIPG-UHFFFAOYSA-N 0 0 336.420 4.247 50 0 EIAARN CCc1ccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1 ZINC000064818516 564096488 /nfs/dbraw/zinc/09/64/88/564096488.db2.gz WYJXRZGKRFIWJG-UHFFFAOYSA-N 0 0 334.423 4.361 50 0 EIAARN Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C(C)C)c(Cl)c1 ZINC000064818470 564096513 /nfs/dbraw/zinc/09/65/13/564096513.db2.gz WLPBCUHHFLBFQF-UHFFFAOYSA-N 0 0 328.803 4.226 50 0 EIAARN CSc1ccc(N2C(=O)N3CCCN3[C@@H]2c2ccccc2F)cc1 ZINC000006737521 564096694 /nfs/dbraw/zinc/09/66/94/564096694.db2.gz SFTWHAZPGSUJHB-KRWDZBQOSA-N 0 0 343.427 4.109 50 0 EIAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000064837810 564096764 /nfs/dbraw/zinc/09/67/64/564096764.db2.gz YUJNNNNHHUNUHA-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1C ZINC000006743444 564096864 /nfs/dbraw/zinc/09/68/64/564096864.db2.gz FHQOGJKQYAIGOX-UHFFFAOYSA-N 0 0 349.478 4.242 50 0 EIAARN CCOc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1 ZINC000006752036 564097197 /nfs/dbraw/zinc/09/71/97/564097197.db2.gz DYOQQDQPTKGIIL-UHFFFAOYSA-N 0 0 339.786 4.073 50 0 EIAARN Cc1ccc(C)c(NC(=O)Nc2nnc(N3CCC[C@@H](C)C3)s2)c1 ZINC000006768371 564097394 /nfs/dbraw/zinc/09/73/94/564097394.db2.gz ONRVOBOFUAQXGW-GFCCVEGCSA-N 0 0 345.472 4.035 50 0 EIAARN Cc1nn(-c2ccccc2)c(-c2ccc(O)cc2O)c1-c1ccccn1 ZINC000006784757 564097701 /nfs/dbraw/zinc/09/77/01/564097701.db2.gz DZZLYQJVRKUILC-UHFFFAOYSA-N 0 0 343.386 4.321 50 0 EIAARN CCSc1nnc(-c2cccs2)n1-c1cc(C)ccc1OC ZINC000006785164 564097715 /nfs/dbraw/zinc/09/77/15/564097715.db2.gz FXSJUVSYCCERPW-UHFFFAOYSA-N 0 0 331.466 4.425 50 0 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564112190 /nfs/dbraw/zinc/11/21/90/564112190.db2.gz CEBCZDTZNPYKLH-UHFFFAOYSA-N 0 0 329.513 4.278 50 0 EIAARN O=Cc1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)o1 ZINC000014162091 564112252 /nfs/dbraw/zinc/11/22/52/564112252.db2.gz CCPJSXDYLKWUMS-UHFFFAOYSA-N 0 0 340.191 4.335 50 0 EIAARN COc1cccc(CN(C)C(=O)Cc2coc3cc(C)c(C)cc23)c1 ZINC000089609024 564112696 /nfs/dbraw/zinc/11/26/96/564112696.db2.gz BHYBGKYNWKWJBX-UHFFFAOYSA-N 0 0 337.419 4.259 50 0 EIAARN Cc1c(C(=O)N2CCCCCC2)sc2nc(-c3ccccc3)cn12 ZINC000016740397 564112984 /nfs/dbraw/zinc/11/29/84/564112984.db2.gz UUHOIJQKOCVCBA-UHFFFAOYSA-N 0 0 339.464 4.387 50 0 EIAARN Cc1ccc2nc(NC(=O)c3cccnc3Br)sc2c1 ZINC000089665729 564112999 /nfs/dbraw/zinc/11/29/99/564112999.db2.gz UDNDHECDZFNXNE-UHFFFAOYSA-N 0 0 348.225 4.015 50 0 EIAARN Cc1nc(C2CCN(C(=O)[C@H](C)c3ccc4ccccc4c3)CC2)no1 ZINC000089718230 564113344 /nfs/dbraw/zinc/11/33/44/564113344.db2.gz NPWBLWAABGBBLY-CQSZACIVSA-N 0 0 349.434 4.041 50 0 EIAARN O=C(Nc1cc(F)c(F)cc1Cl)N[C@@H]1CCOC2(CCCC2)C1 ZINC000089762010 564113599 /nfs/dbraw/zinc/11/35/99/564113599.db2.gz PFCKUGROZHTCGR-SNVBAGLBSA-N 0 0 344.789 4.232 50 0 EIAARN c1cnn(Cc2cccc(NCc3cnc(-c4cccnc4)s3)c2)c1 ZINC000089780598 564113716 /nfs/dbraw/zinc/11/37/16/564113716.db2.gz LNJZTQWVXRUVJN-UHFFFAOYSA-N 0 0 347.447 4.062 50 0 EIAARN O=C1OCCN1c1ccc(NCc2cc3cc(F)ccc3o2)cc1 ZINC000089793153 564113826 /nfs/dbraw/zinc/11/38/26/564113826.db2.gz WGDKGUIAMWVWRP-UHFFFAOYSA-N 0 0 326.327 4.141 50 0 EIAARN O=C(Cc1csc(Nc2ccccc2)n1)Nc1cccc(F)c1 ZINC000016850021 564113880 /nfs/dbraw/zinc/11/38/80/564113880.db2.gz TZLVNPJECNFKQD-UHFFFAOYSA-N 0 0 327.384 4.207 50 0 EIAARN COc1ccc([C@@H](NC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000075956339 564113927 /nfs/dbraw/zinc/11/39/27/564113927.db2.gz DOMVSHCGRSCDOX-IBGZPJMESA-N 0 0 339.439 4.034 50 0 EIAARN O=C(NC1CCC(c2ccccc2)CC1)c1ccccc1-n1cccn1 ZINC000089828070 564114124 /nfs/dbraw/zinc/11/41/24/564114124.db2.gz JBUZSBLJNHZLPT-UHFFFAOYSA-N 0 0 345.446 4.329 50 0 EIAARN Fc1ccc([C@@H](NCc2nccn2Cc2ccccc2)C2CC2)cc1 ZINC000089841128 564114183 /nfs/dbraw/zinc/11/41/83/564114183.db2.gz MRIXEXUBXFYROR-NRFANRHFSA-N 0 0 335.426 4.311 50 0 EIAARN C[C@H](Oc1ccc2c(c1)CCCC2=O)c1nnc(-c2ccccc2)o1 ZINC000089913785 564115233 /nfs/dbraw/zinc/11/52/33/564115233.db2.gz BALOUSUXHKMAJG-ZDUSSCGKSA-N 0 0 334.375 4.396 50 0 EIAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnc2c(cnn2C2CCCC2)c1 ZINC000089927638 564115320 /nfs/dbraw/zinc/11/53/20/564115320.db2.gz MDTJVGKIUXFCTD-RDTXWAMCSA-N 0 0 340.471 4.197 50 0 EIAARN CCCc1nc(CNC2(c3cccc(F)c3)CCOCC2)cs1 ZINC000089960480 564115883 /nfs/dbraw/zinc/11/58/83/564115883.db2.gz LVPZSWCQRJCVDM-UHFFFAOYSA-N 0 0 334.460 4.030 50 0 EIAARN CCOC[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1 ZINC000089986707 564115996 /nfs/dbraw/zinc/11/59/96/564115996.db2.gz LFGRKYOKSXEOSZ-CQSZACIVSA-N 0 0 347.455 4.361 50 0 EIAARN O=C(NCC1(O)CCCCCC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000170633139 564116404 /nfs/dbraw/zinc/11/64/04/564116404.db2.gz AUHJOIQYGWQXMT-UHFFFAOYSA-N 0 0 335.447 4.073 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000017167227 564116571 /nfs/dbraw/zinc/11/65/71/564116571.db2.gz DAVGZAUEUBWRAH-OKILXGFUSA-N 0 0 342.464 4.119 50 0 EIAARN Cc1cc(C)c2nc(SCC(=O)N3CCCCC3)cc(C)c2c1 ZINC000000416371 564116695 /nfs/dbraw/zinc/11/66/95/564116695.db2.gz ZTSZNHMSQXKLPI-UHFFFAOYSA-N 0 0 328.481 4.265 50 0 EIAARN CC(=O)Nc1cccc(Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000001292873 564116875 /nfs/dbraw/zinc/11/68/75/564116875.db2.gz LIWMCUCIYVWOPG-UHFFFAOYSA-N 0 0 346.312 4.351 50 0 EIAARN Cc1c(Cl)cccc1-n1ccnc1SCCCc1cn[nH]c1 ZINC000170635890 564116881 /nfs/dbraw/zinc/11/68/81/564116881.db2.gz BSGRIOHZSIWOTP-UHFFFAOYSA-N 0 0 332.860 4.282 50 0 EIAARN O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ccccc1)c1ccccc1 ZINC000002875695 564117094 /nfs/dbraw/zinc/11/70/94/564117094.db2.gz SBJFBNCYLLCAJF-QZTJIDSGSA-N 0 0 347.505 4.068 50 0 EIAARN CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000007058828 564117529 /nfs/dbraw/zinc/11/75/29/564117529.db2.gz PEAJVWYQUUBYJC-GFCCVEGCSA-N 0 0 341.436 4.081 50 0 EIAARN CCO[C@H]1C[C@@H](Nc2nccc(C(F)(F)F)n2)C12CCCCC2 ZINC000170639424 564117641 /nfs/dbraw/zinc/11/76/41/564117641.db2.gz JODIFRYUSYKERB-OLZOCXBDSA-N 0 0 329.366 4.035 50 0 EIAARN CC(=NNc1ccccc1Br)c1ccc2c(c1)OCCO2 ZINC000252458365 564118615 /nfs/dbraw/zinc/11/86/15/564118615.db2.gz CMDMNCXMQQGNHI-UHFFFAOYSA-N 0 0 347.212 4.056 50 0 EIAARN Cc1ccc(CC(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)c(C)c1 ZINC000007595766 564118895 /nfs/dbraw/zinc/11/88/95/564118895.db2.gz PAYAGEVYKWFXQG-UHFFFAOYSA-N 0 0 335.407 4.151 50 0 EIAARN Cc1cccc([C@H]2CCCCN2C(=O)c2cnc([C@H](C)O)s2)c1C ZINC000252485431 564119297 /nfs/dbraw/zinc/11/92/97/564119297.db2.gz GVOVRLKAZJNKLC-GOEBONIOSA-N 0 0 344.480 4.181 50 0 EIAARN CCCCNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000002147200 564119477 /nfs/dbraw/zinc/11/94/77/564119477.db2.gz HRWMEICYTAXKJG-UHFFFAOYSA-N 0 0 341.407 4.005 50 0 biogenic EIAARN COc1ccc([C@@H](CCNC(=O)[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000002148432 564119501 /nfs/dbraw/zinc/11/95/01/564119501.db2.gz BNSRXZJARXDPQG-MJGOQNOKSA-N 0 0 347.499 4.146 50 0 biogenic EIAARN CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1cccc(COC)c1 ZINC000252506887 564119939 /nfs/dbraw/zinc/11/99/39/564119939.db2.gz WCPWBKDOJIDDNY-UHFFFAOYSA-N 0 0 337.423 4.368 50 0 EIAARN COC(=O)c1c2c(cnn2CCCc2ccccc2)ccc1Cl ZINC000252509434 564120025 /nfs/dbraw/zinc/12/00/25/564120025.db2.gz YNUSDMRCZDEEQN-UHFFFAOYSA-N 0 0 328.799 4.109 50 0 EIAARN Cc1c(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)cnn1C1CCCC1 ZINC000194306910 564120473 /nfs/dbraw/zinc/12/04/73/564120473.db2.gz OROKZWVVACZXMQ-GFCCVEGCSA-N 0 0 342.447 4.118 50 0 EIAARN CN(C)C(=O)c1ccc(CNc2ccc3c4c(cccc42)CC3)cc1 ZINC000170652772 564120911 /nfs/dbraw/zinc/12/09/11/564120911.db2.gz LSRGJUSXLNURNJ-UHFFFAOYSA-N 0 0 330.431 4.252 50 0 EIAARN COc1ccc(-n2cnc3cc(NCc4ccncc4)ccc32)cc1 ZINC000002206822 564121142 /nfs/dbraw/zinc/12/11/42/564121142.db2.gz CBCQXJIIOAFZTG-UHFFFAOYSA-N 0 0 330.391 4.041 50 0 EIAARN Cc1ccc(CN(C(=O)Nc2ccc3oc(=O)ccc3c2)C(C)C)o1 ZINC000065818555 564121312 /nfs/dbraw/zinc/12/13/12/564121312.db2.gz QDDHTBALJUEHTL-UHFFFAOYSA-N 0 0 340.379 4.137 50 0 EIAARN CCCc1c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)[nH]c(C)c1C(C)=O ZINC000065815185 564121322 /nfs/dbraw/zinc/12/13/22/564121322.db2.gz BBAGXYIVCSUFLY-RYTJFDOTSA-N 0 0 342.483 4.129 50 0 EIAARN Cc1ccc(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000065829239 564121434 /nfs/dbraw/zinc/12/14/34/564121434.db2.gz LHIYPAQOKOOHHY-OAHLLOKOSA-N 0 0 337.423 4.005 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)CN1CC=C(c2ccccc2)CC1 ZINC000007651107 564121512 /nfs/dbraw/zinc/12/15/12/564121512.db2.gz IVVAODVYJHADNL-UHFFFAOYSA-N 0 0 340.854 4.376 50 0 EIAARN CC[C@H](C)[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000007657252 564121613 /nfs/dbraw/zinc/12/16/13/564121613.db2.gz OFFYUEMCGVMBPC-KBXCAEBGSA-N 0 0 325.408 4.242 50 0 EIAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2ccccc2c1 ZINC000007683478 564121865 /nfs/dbraw/zinc/12/18/65/564121865.db2.gz XLFYDFLVPDXWPV-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN COc1cccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000007706061 564122097 /nfs/dbraw/zinc/12/20/97/564122097.db2.gz BXLMZTYENUZUBY-GFCCVEGCSA-N 0 0 326.421 4.138 50 0 EIAARN CSc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1 ZINC000007725922 564122309 /nfs/dbraw/zinc/12/23/09/564122309.db2.gz SCSRONNHODAUES-UHFFFAOYSA-N 0 0 325.389 4.421 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000007735670 564122416 /nfs/dbraw/zinc/12/24/16/564122416.db2.gz WIGJBKQEZVESHO-UHFFFAOYSA-N 0 0 348.402 4.391 50 0 EIAARN CC[C@H](C(=O)Nc1cc(C)ccc1NC(C)=O)c1ccc(OC)cc1 ZINC000195211544 564122995 /nfs/dbraw/zinc/12/29/95/564122995.db2.gz OUOHZRAFVOATDX-KRWDZBQOSA-N 0 0 340.423 4.094 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C)cc1C ZINC000007779666 564123130 /nfs/dbraw/zinc/12/31/30/564123130.db2.gz ZDJBAJJSYVUPGE-UHFFFAOYSA-N 0 0 331.437 4.411 50 0 EIAARN Cc1cc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)ccc1F ZINC000195559027 564123837 /nfs/dbraw/zinc/12/38/37/564123837.db2.gz DBRNUAOKVNKVNE-OAQYLSRUSA-N 0 0 325.836 4.278 50 0 EIAARN Cc1csc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000007834675 564124168 /nfs/dbraw/zinc/12/41/68/564124168.db2.gz ZDYPUMMPKMDCPP-CYBMUJFWSA-N 0 0 346.521 4.300 50 0 EIAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccco2)cc1 ZINC000007884065 564124361 /nfs/dbraw/zinc/12/43/61/564124361.db2.gz SIFKGLAYAALSPS-LJQANCHMSA-N 0 0 334.375 4.449 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccccc2Br)N1C1CC1 ZINC000007885895 564124412 /nfs/dbraw/zinc/12/44/12/564124412.db2.gz RJSUXMLTAHOQEF-INIZCTEOSA-N 0 0 343.224 4.178 50 0 EIAARN CCn1c2ccccc2ccc1=NN=c1ccc2ccccc2n1CC ZINC000252671049 564124834 /nfs/dbraw/zinc/12/48/34/564124834.db2.gz MNEKZEMIACTINB-UHFFFAOYSA-N 0 0 342.446 4.052 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000252693161 564124935 /nfs/dbraw/zinc/12/49/35/564124935.db2.gz BFKPXLDFMBGVDL-LBCMOLISSA-N 0 0 342.479 4.162 50 0 EIAARN CCOc1ccc2[nH]c(SCc3nc4ccccc4o3)nc2c1 ZINC000007901089 564124958 /nfs/dbraw/zinc/12/49/58/564124958.db2.gz FEXMOHVDFJIYSD-UHFFFAOYSA-N 0 0 325.393 4.395 50 0 EIAARN c1nc(CSc2nnc(C3CC3)n2C2CC2)oc1-c1ccccc1 ZINC000007904168 564125026 /nfs/dbraw/zinc/12/50/26/564125026.db2.gz LBEBKVVEWLNLHK-UHFFFAOYSA-N 0 0 338.436 4.438 50 0 EIAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1Cl ZINC000007908730 564125096 /nfs/dbraw/zinc/12/50/96/564125096.db2.gz BJNYDVZAPJBNTL-UHFFFAOYSA-N 0 0 345.761 4.100 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nccs3)cc12 ZINC000000413049 564125203 /nfs/dbraw/zinc/12/52/03/564125203.db2.gz NPQOWCUVERMRFW-UHFFFAOYSA-N 0 0 340.433 4.104 50 0 EIAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1F ZINC000007922330 564125497 /nfs/dbraw/zinc/12/54/97/564125497.db2.gz SAUGSVVSRCVQOP-LBPRGKRZSA-N 0 0 343.427 4.067 50 0 EIAARN CN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccsc1 ZINC000007926902 564125574 /nfs/dbraw/zinc/12/55/74/564125574.db2.gz LWUIOXHNPCLDMI-UHFFFAOYSA-N 0 0 329.252 4.125 50 0 EIAARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000027519234 564125622 /nfs/dbraw/zinc/12/56/22/564125622.db2.gz NECWBDHHVPUNBX-ZSOIEALJSA-N 0 0 336.149 4.477 50 0 EIAARN Cc1nc(C(=O)Nc2cccc(C)c2C)nn1-c1ccc(Cl)cc1 ZINC000015190268 564128997 /nfs/dbraw/zinc/12/89/97/564128997.db2.gz BHSNLLHVDPMRJB-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN Cc1ccc(C(C)C)cc1OC(=O)Cn1c2ccccc2sc1=O ZINC000019880453 564129061 /nfs/dbraw/zinc/12/90/61/564129061.db2.gz UNNNDKGPKXBANS-UHFFFAOYSA-N 0 0 341.432 4.100 50 0 EIAARN CCOC(=O)CSc1nnc(-c2ccc(C)cc2)c2ccccc21 ZINC000019898042 564129093 /nfs/dbraw/zinc/12/90/93/564129093.db2.gz DJHKHQHNRSXIRU-UHFFFAOYSA-N 0 0 338.432 4.260 50 0 EIAARN CC1(C)Cc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c32)CO1 ZINC000136152735 564129514 /nfs/dbraw/zinc/12/95/14/564129514.db2.gz QHHDCOKYRSCUMW-UHFFFAOYSA-N 0 0 344.461 4.373 50 0 EIAARN Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1cccs1)=N2 ZINC000108591249 564129525 /nfs/dbraw/zinc/12/95/25/564129525.db2.gz RQQWNHVHPGVCCI-AWEZNQCLSA-N 0 0 328.828 4.357 50 0 EIAARN c1nc(COc2cccc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)c2)cs1 ZINC000253369437 564130291 /nfs/dbraw/zinc/13/02/91/564130291.db2.gz CREWLHZUAQZBJT-RCCFBDPRSA-N 0 0 342.464 4.092 50 0 EIAARN COc1ccc(-c2ccc(C)c(NC(=O)c3scnc3C)c2)cn1 ZINC000253392801 564130435 /nfs/dbraw/zinc/13/04/35/564130435.db2.gz UDRFITJLDIPQDV-UHFFFAOYSA-N 0 0 339.420 4.083 50 0 EIAARN O=C(N[C@H]1CCCc2c3ccccc3[nH]c21)c1cc2ccccc2[nH]1 ZINC000253403315 564130584 /nfs/dbraw/zinc/13/05/84/564130584.db2.gz HBUAVCISAIJFAY-SFHVURJKSA-N 0 0 329.403 4.457 50 0 EIAARN Cc1cc(C(=O)N(C)c2cccnc2)cc(Cl)c1Br ZINC000253415219 564130691 /nfs/dbraw/zinc/13/06/91/564130691.db2.gz UCCZIHITOSOSJV-UHFFFAOYSA-N 0 0 339.620 4.083 50 0 EIAARN Cc1nc(C2CC2)oc1C(=O)N[C@](C)(c1ccccc1)C(F)(F)F ZINC000253420452 564131011 /nfs/dbraw/zinc/13/10/11/564131011.db2.gz XJTMXBHMSKILQZ-MRXNPFEDSA-N 0 0 338.329 4.068 50 0 EIAARN CSc1ccc([C@@H](C)NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000253429474 564131246 /nfs/dbraw/zinc/13/12/46/564131246.db2.gz DLOLZGSHHGASEB-CJNGLKHVSA-N 0 0 344.484 4.129 50 0 EIAARN COC1CCN(C(=O)c2ccc(-c3ccc(F)cc3Cl)cc2)CC1 ZINC000584897339 564131634 /nfs/dbraw/zinc/13/16/34/564131634.db2.gz ZHOKPEXNNDVRBY-UHFFFAOYSA-N 0 0 347.817 4.397 50 0 EIAARN O=C(Nc1ccc(-c2ccco2)cc1F)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000253432011 564131784 /nfs/dbraw/zinc/13/17/84/564131784.db2.gz ILWULWURFSINEV-KSSFIOAISA-N 0 0 344.386 4.165 50 0 EIAARN O=C(Nc1ccncc1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000253431344 564131820 /nfs/dbraw/zinc/13/18/20/564131820.db2.gz VJNLKQQEGZXJLC-SFHVURJKSA-N 0 0 347.422 4.231 50 0 EIAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc(=O)oc3)ccc21 ZINC000002315903 564132154 /nfs/dbraw/zinc/13/21/54/564132154.db2.gz VVRUZFJDYVELAM-UHFFFAOYSA-N 0 0 332.359 4.020 50 0 EIAARN Cc1nc2nc(NCc3cccc4ccccc43)nn2c(C)c1Cl ZINC000002324884 564132305 /nfs/dbraw/zinc/13/23/05/564132305.db2.gz USWZYNYJUJKOLL-UHFFFAOYSA-N 0 0 337.814 4.160 50 0 EIAARN CCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2Cl)c1 ZINC000017918366 564132575 /nfs/dbraw/zinc/13/25/75/564132575.db2.gz QNCSTWSLNCZEIP-UHFFFAOYSA-N 0 0 346.814 4.181 50 0 EIAARN CCc1nn(C(=O)OC(C)(C)C)c2ccc(Br)cc12 ZINC000091353310 564133445 /nfs/dbraw/zinc/13/34/45/564133445.db2.gz AXXHMYJAROTSOD-UHFFFAOYSA-N 0 0 325.206 4.144 50 0 EIAARN O=c1ccc(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)c[nH]1 ZINC000018067588 564133460 /nfs/dbraw/zinc/13/34/60/564133460.db2.gz WZWPYXSBBOYPAX-UHFFFAOYSA-N 0 0 335.794 4.093 50 0 EIAARN CCN(CC)C(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000002404954 564134634 /nfs/dbraw/zinc/13/46/34/564134634.db2.gz ROSLNPJUCFEATA-UHFFFAOYSA-N 0 0 335.407 4.194 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\C(=O)Nc2ccccc21 ZINC000012562552 564135295 /nfs/dbraw/zinc/13/52/95/564135295.db2.gz JSGLRNRIHMRPBC-WJDWOHSUSA-N 0 0 335.794 4.327 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000007944280 564135402 /nfs/dbraw/zinc/13/54/02/564135402.db2.gz ZCSIEANZLDYMOW-UHFFFAOYSA-N 0 0 340.423 4.272 50 0 EIAARN CCc1ccc(-c2nc(SCc3ccc(OC)cc3)n[nH]2)cc1 ZINC000013002005 564135869 /nfs/dbraw/zinc/13/58/69/564135869.db2.gz FJXHDOUYXSWVBB-UHFFFAOYSA-N 0 0 325.437 4.335 50 0 EIAARN COc1ccc(Br)c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000013364292 564136279 /nfs/dbraw/zinc/13/62/79/564136279.db2.gz IONBUALUPFEVFN-UHFFFAOYSA-N 0 0 349.159 4.314 50 0 EIAARN CCn1nc(C)c(NC(=O)Nc2cc(-n3cccc3)ccc2F)c1C ZINC000078937037 564137397 /nfs/dbraw/zinc/13/73/97/564137397.db2.gz DDQSWKCFZTUZRM-UHFFFAOYSA-N 0 0 341.390 4.094 50 0 EIAARN C[C@@H]1C(=O)Nc2ccccc2N1Cc1c(Cl)ccc2cccnc21 ZINC000078970667 564137490 /nfs/dbraw/zinc/13/74/90/564137490.db2.gz BLWWKMVATGFHLI-GFCCVEGCSA-N 0 0 337.810 4.235 50 0 EIAARN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc2cnccc21 ZINC000079100230 564137874 /nfs/dbraw/zinc/13/78/74/564137874.db2.gz BUUQRDQFVAIUHT-CQSZACIVSA-N 0 0 335.407 4.035 50 0 EIAARN COc1ccc(F)cc1NC(=O)c1cc(C)ccc1Br ZINC000093789812 564138002 /nfs/dbraw/zinc/13/80/02/564138002.db2.gz ISSJQKJQKTZGPT-UHFFFAOYSA-N 0 0 338.176 4.158 50 0 EIAARN Cc1ccccc1N1C(=S)N[C@H]2c3ccccc3O[C@@]13CCC[C@@H]23 ZINC000020130977 564138365 /nfs/dbraw/zinc/13/83/65/564138365.db2.gz SIPQBIIILZSEFT-ZAAXVRCTSA-N 0 0 336.460 4.320 50 0 EIAARN CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1 ZINC000390831933 564138722 /nfs/dbraw/zinc/13/87/22/564138722.db2.gz WBVYUPVDCFVYRK-KRWDZBQOSA-N 0 0 348.512 4.171 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)NCc1nc(C2CCCCC2)cs1 ZINC000390831963 564138728 /nfs/dbraw/zinc/13/87/28/564138728.db2.gz WGZKTWHEYIKWMH-CQSZACIVSA-N 0 0 344.480 4.275 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)[C@H](c3cccnc3)C(C)C)c2)n1 ZINC000390835022 564138986 /nfs/dbraw/zinc/13/89/86/564138986.db2.gz AZYSAVYDLXHLIO-FQEVSTJZSA-N 0 0 346.434 4.225 50 0 EIAARN CSC1(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)CCC1 ZINC000390835447 564138989 /nfs/dbraw/zinc/13/89/89/564138989.db2.gz NZYCHBWSEULBNT-CYBMUJFWSA-N 0 0 331.485 4.080 50 0 EIAARN CCCn1ccc2ccc(NC(=O)Cc3ccccc3NC(C)=O)cc21 ZINC000390835694 564139040 /nfs/dbraw/zinc/13/90/40/564139040.db2.gz VECDVRGEYSFFDP-UHFFFAOYSA-N 0 0 349.434 4.191 50 0 EIAARN CCC[C@@H](C(=O)N1CCC(Cc2cccnc2)CC1)c1ccccc1 ZINC000095457887 564140689 /nfs/dbraw/zinc/14/06/89/564140689.db2.gz IHWUIQRWZANXGK-OAQYLSRUSA-N 0 0 336.479 4.447 50 0 EIAARN Clc1cccc(-c2nc(Cn3ccnc3-c3ccncc3)co2)c1 ZINC000095464708 564140939 /nfs/dbraw/zinc/14/09/39/564140939.db2.gz MGSYYGAYANEYFZ-UHFFFAOYSA-N 0 0 336.782 4.302 50 0 EIAARN CC(C)c1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000095472341 564141296 /nfs/dbraw/zinc/14/12/96/564141296.db2.gz AMQXHKIDOSKESL-MRXNPFEDSA-N 0 0 345.468 4.305 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc2[nH]ccc21 ZINC000095473114 564141332 /nfs/dbraw/zinc/14/13/32/564141332.db2.gz MZHOOAADUZQETE-UHFFFAOYSA-N 0 0 331.375 4.394 50 0 EIAARN COCCn1c(C(=O)Nc2cccc3[nH]ccc32)cc2ccccc21 ZINC000095474957 564141426 /nfs/dbraw/zinc/14/14/26/564141426.db2.gz CKKSTCLWKUHPQM-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 EIAARN CC(C)c1sc(Cl)nc1C(=O)Nc1nnc(C2CCC2)s1 ZINC000095476893 564141435 /nfs/dbraw/zinc/14/14/35/564141435.db2.gz XKIVUKFXRFTATM-UHFFFAOYSA-N 0 0 342.877 4.291 50 0 EIAARN CSc1cccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 ZINC000020985540 564141897 /nfs/dbraw/zinc/14/18/97/564141897.db2.gz ZGFPHQQLPQQZPH-HNNXBMFYSA-N 0 0 339.464 4.429 50 0 EIAARN CCOc1cc(CNc2nc3cc(F)ccc3n2CC)ccc1OC ZINC000095943694 564142120 /nfs/dbraw/zinc/14/21/20/564142120.db2.gz MBQOTOAVJFGYFM-UHFFFAOYSA-N 0 0 343.402 4.215 50 0 EIAARN Cc1cccc(C[S@@](=O)C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000095946408 564142207 /nfs/dbraw/zinc/14/22/07/564142207.db2.gz NIIWFFALYVEZLF-KKSFZXQISA-N 0 0 343.275 4.284 50 0 EIAARN Cc1nn(C)c(Cl)c1CNc1ccc(Br)c(C)c1 ZINC000095951435 564142389 /nfs/dbraw/zinc/14/23/89/564142389.db2.gz JATYYUXRHGFDPV-UHFFFAOYSA-N 0 0 328.641 4.065 50 0 EIAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)N(c1ccccc1)C1CCCC1 ZINC000095953763 564142471 /nfs/dbraw/zinc/14/24/71/564142471.db2.gz FDYQZYKCWSKQDG-AWEZNQCLSA-N 0 0 325.456 4.116 50 0 EIAARN CC[C@@H](C)CN(C)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000095958292 564142578 /nfs/dbraw/zinc/14/25/78/564142578.db2.gz UBDGCTWKKUVZPP-CYBMUJFWSA-N 0 0 329.400 4.042 50 0 EIAARN CSC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000095963043 564142814 /nfs/dbraw/zinc/14/28/14/564142814.db2.gz CUDUDHBFLGTHPH-WDEREUQCSA-N 0 0 332.296 4.308 50 0 EIAARN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)OCc1ccc(F)cc1Cl ZINC000095963510 564142869 /nfs/dbraw/zinc/14/28/69/564142869.db2.gz KTGXYVUOCKSJMA-KZULUSFZSA-N 0 0 336.790 4.077 50 0 EIAARN C[C@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1cccnc1 ZINC000095965441 564142927 /nfs/dbraw/zinc/14/29/27/564142927.db2.gz DEMLCVMGBJMTSE-AWEZNQCLSA-N 0 0 327.403 4.046 50 0 EIAARN CC[C@@H](NCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000095968682 564143235 /nfs/dbraw/zinc/14/32/35/564143235.db2.gz CTTJZUJIIWYKNM-HXUWFJFHSA-N 0 0 347.462 4.107 50 0 EIAARN CC(=O)c1cc(NCc2coc(-c3ccccc3)n2)cc(C(C)=O)c1 ZINC000095974978 564143518 /nfs/dbraw/zinc/14/35/18/564143518.db2.gz WICFZWNZDXSHCM-UHFFFAOYSA-N 0 0 334.375 4.359 50 0 EIAARN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC000095975094 564143529 /nfs/dbraw/zinc/14/35/29/564143529.db2.gz NBCSYOXXVPFDFF-SOUVJXGZSA-N 0 0 337.891 4.353 50 0 EIAARN CC(C)C(=O)Nc1ccc(N[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000095990523 564144127 /nfs/dbraw/zinc/14/41/27/564144127.db2.gz DMBIXYFZXSHCFJ-JBEBIEQOSA-N 0 0 344.480 4.192 50 0 EIAARN c1ccc([C@@H]2CCc3nc(CN4CCCSCC4)sc3C2)cc1 ZINC000096003598 564144430 /nfs/dbraw/zinc/14/44/30/564144430.db2.gz WEVDSMHHZQZKNC-MRXNPFEDSA-N 0 0 344.549 4.355 50 0 EIAARN Cn1cc([C@H]2CCCN2c2cnc3cc(Cl)c(Cl)cc3n2)cn1 ZINC000096007363 564144565 /nfs/dbraw/zinc/14/45/65/564144565.db2.gz WXMBGRSFEJDGQW-OAHLLOKOSA-N 0 0 348.237 4.012 50 0 EIAARN CCc1nnc([C@@H](C)N[C@H](C)c2oc3ccc(OC)cc3c2C)o1 ZINC000096014090 564144858 /nfs/dbraw/zinc/14/48/58/564144858.db2.gz IHYNLKUXOTZSAR-VXGBXAGGSA-N 0 0 329.400 4.107 50 0 EIAARN O=C(/C=C/c1ccccc1)NCc1cc(C2CC2)n(C2CCCC2)n1 ZINC000096104060 564145317 /nfs/dbraw/zinc/14/53/17/564145317.db2.gz FXESIPHNRVFXAW-JLHYYAGUSA-N 0 0 335.451 4.205 50 0 EIAARN CO[C@@H](CNC(=O)NCc1cccc2ccccc21)c1ccccc1C ZINC000096105197 564145406 /nfs/dbraw/zinc/14/54/06/564145406.db2.gz VAEDQPNDEXRVRE-NRFANRHFSA-N 0 0 348.446 4.335 50 0 EIAARN O=C(Nc1ccccc1Cl)[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000096122588 564145616 /nfs/dbraw/zinc/14/56/16/564145616.db2.gz DDWZNWACHYNZGQ-HNNXBMFYSA-N 0 0 341.798 4.089 50 0 EIAARN CCn1c2ccccc2c2cc(/C=C\C(=O)NC[C@H]3CCCO3)ccc21 ZINC000096124667 564145707 /nfs/dbraw/zinc/14/57/07/564145707.db2.gz LKLSYRSYRZLINM-XSLBHYSZSA-N 0 0 348.446 4.123 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000096221722 564146019 /nfs/dbraw/zinc/14/60/19/564146019.db2.gz OWYVBUFYHFAHIO-FQEVSTJZSA-N 0 0 343.430 4.386 50 0 biogenic EIAARN CC(C)CC(=O)N[C@H](c1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000096276053 564146254 /nfs/dbraw/zinc/14/62/54/564146254.db2.gz HLTXBCAXKMGTIO-HNNXBMFYSA-N 0 0 335.835 4.249 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 ZINC000096277506 564146313 /nfs/dbraw/zinc/14/63/13/564146313.db2.gz WFHJYVWUVUWTEE-GOSISDBHSA-N 0 0 349.434 4.481 50 0 EIAARN Cc1ccc(-c2noc([C@@H](NC(=O)C3CCC3)C(C)C)n2)cc1Cl ZINC000096293591 564146493 /nfs/dbraw/zinc/14/64/93/564146493.db2.gz RBFRKKPQRYINFA-HNNXBMFYSA-N 0 0 347.846 4.312 50 0 EIAARN O=C(CC[S@](=O)C/C=C\c1ccccc1)Nc1ccccc1Cl ZINC000096295081 564146521 /nfs/dbraw/zinc/14/65/21/564146521.db2.gz CLMFGMLVHGLZHM-KUSOGIATSA-N 0 0 347.867 4.131 50 0 EIAARN CC[C@H](C)[C@@H](NC(=O)C1CCC1)c1nc(-c2cccc(C)c2)no1 ZINC000096294235 564146535 /nfs/dbraw/zinc/14/65/35/564146535.db2.gz UWLQTNQTGCKBFH-XJKSGUPXSA-N 0 0 327.428 4.049 50 0 EIAARN CN(Cc1ccccc1)c1ccccc1NC(=O)/C=C\c1cscn1 ZINC000096298161 564146622 /nfs/dbraw/zinc/14/66/22/564146622.db2.gz BEWMHLPWSRIQLA-QXMHVHEDSA-N 0 0 349.459 4.431 50 0 EIAARN CC(C)CNC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000096326948 564146791 /nfs/dbraw/zinc/14/67/91/564146791.db2.gz RUMKSJJFOLOTIV-UHFFFAOYSA-N 0 0 347.418 4.322 50 0 EIAARN O=C(Nc1nc(C2CCC2)cs1)N1CCC[C@H](C(F)(F)F)C1 ZINC000282559832 564146980 /nfs/dbraw/zinc/14/69/80/564146980.db2.gz ACZKFYXTEINFJL-JTQLQIEISA-N 0 0 333.379 4.217 50 0 EIAARN CCCCOc1ccc(C(=O)NC[C@@H](OC)c2cccc(F)c2)cc1 ZINC000096388178 564146983 /nfs/dbraw/zinc/14/69/83/564146983.db2.gz VQTJSIWNFQOTNN-LJQANCHMSA-N 0 0 345.414 4.122 50 0 EIAARN CO[C@H](CNC(=O)c1cc2ccccc2s1)c1cccc(F)c1 ZINC000096388334 564146992 /nfs/dbraw/zinc/14/69/92/564146992.db2.gz MOOXHOPUFYLVPA-OAHLLOKOSA-N 0 0 329.396 4.158 50 0 EIAARN O=C(/C=C\c1ccccn1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000096401622 564147088 /nfs/dbraw/zinc/14/70/88/564147088.db2.gz COVXIJDWLJONRX-RAXLEYEMSA-N 0 0 347.345 4.071 50 0 EIAARN O=[S@](CCc1ccccc1)Cc1csc(Cc2ccccc2)n1 ZINC000096404350 564147239 /nfs/dbraw/zinc/14/72/39/564147239.db2.gz QVCWDYLVUHCCEZ-QHCPKHFHSA-N 0 0 341.501 4.225 50 0 EIAARN O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CCC(OC2CCCC2)CC1 ZINC000096407214 564147384 /nfs/dbraw/zinc/14/73/84/564147384.db2.gz DPRPQJGLCNGKOX-HOTGVXAUSA-N 0 0 349.421 4.019 50 0 EIAARN FC(F)(F)c1cc(N2Cc3ccccc3C2)nc(-c2cccnc2)n1 ZINC000096408669 564147488 /nfs/dbraw/zinc/14/74/88/564147488.db2.gz GAFMQIQLEWKTCE-UHFFFAOYSA-N 0 0 342.324 4.078 50 0 EIAARN O=C(CCc1ccsc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000096409376 564147517 /nfs/dbraw/zinc/14/75/17/564147517.db2.gz SIGYKGKBFSAFPA-UHFFFAOYSA-N 0 0 345.308 4.024 50 0 EIAARN Cc1ccc(C)c(N2CCN(c3cnc4cc(C)c(C)cc4n3)CC2)c1 ZINC000021777397 564148129 /nfs/dbraw/zinc/14/81/29/564148129.db2.gz WINXEMCSKJTEDT-UHFFFAOYSA-N 0 0 346.478 4.190 50 0 EIAARN CO[C@H](C)c1cccc(NC(=O)NCc2ncc(C(C)(C)C)o2)c1 ZINC000096445958 564148190 /nfs/dbraw/zinc/14/81/90/564148190.db2.gz ZWSCSMCMDWEPMI-GFCCVEGCSA-N 0 0 331.416 4.001 50 0 EIAARN CSc1ccc(C)c(C(=O)Nc2ccccc2-c2nnc(C)o2)c1 ZINC000096456383 564148293 /nfs/dbraw/zinc/14/82/93/564148293.db2.gz RJMXOHZJXCTJQW-UHFFFAOYSA-N 0 0 339.420 4.328 50 0 EIAARN COc1cccc(Nc2cc(C(=O)N[C@H](C)c3ccccc3)ccn2)c1 ZINC000096671417 564148935 /nfs/dbraw/zinc/14/89/35/564148935.db2.gz POHMKUVXNPWVNJ-OAHLLOKOSA-N 0 0 347.418 4.325 50 0 EIAARN C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1CCOCC1 ZINC000097038084 564149226 /nfs/dbraw/zinc/14/92/26/564149226.db2.gz ZWDXJBOFXKSCOL-INIZCTEOSA-N 0 0 345.487 4.322 50 0 EIAARN O=C(Nc1cc(Br)ccc1Cl)c1cc(C2CC2)no1 ZINC000225646449 564150115 /nfs/dbraw/zinc/15/01/15/564150115.db2.gz WOYLEZFSDXTIPS-UHFFFAOYSA-N 0 0 341.592 4.220 50 0 EIAARN CCCSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 ZINC000002459555 564149581 /nfs/dbraw/zinc/14/95/81/564149581.db2.gz CIMQUMZKBCIMCX-UHFFFAOYSA-N 0 0 338.885 4.036 50 0 EIAARN Cc1noc2nc(C)cc(C(=O)N3CCCC[C@@H]3c3ccccc3)c12 ZINC000225602065 564149959 /nfs/dbraw/zinc/14/99/59/564149959.db2.gz ZBMMXQULIWPAGD-QGZVFWFLSA-N 0 0 335.407 4.207 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1cc2nc(-c3ccccc3)oc2nc1C ZINC000225626245 564150024 /nfs/dbraw/zinc/15/00/24/564150024.db2.gz ZSOPHQJCJFRMQN-UHFFFAOYSA-N 0 0 348.362 4.055 50 0 EIAARN O=C(NCc1ccnc(-c2cccs2)c1)c1ccc(F)c(F)c1 ZINC000225650182 564150128 /nfs/dbraw/zinc/15/01/28/564150128.db2.gz ZOKUVJYKLAUHSO-UHFFFAOYSA-N 0 0 330.359 4.018 50 0 EIAARN C[C@@H](O)c1ccc(C2(CNC(=O)c3ccsc3)CCCC2)s1 ZINC000225680517 564150248 /nfs/dbraw/zinc/15/02/48/564150248.db2.gz JPRJJCXEXUWSIV-GFCCVEGCSA-N 0 0 335.494 4.105 50 0 EIAARN C[C@H](O)c1ccc(C2(CNC(=O)[C@H]3CC=CCC3)CCCC2)s1 ZINC000225682395 564150250 /nfs/dbraw/zinc/15/02/50/564150250.db2.gz JTWQXJOTPKTTAY-GJZGRUSLSA-N 0 0 333.497 4.086 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)c1cccc(Nc2ncccn2)c1 ZINC000028064756 564150313 /nfs/dbraw/zinc/15/03/13/564150313.db2.gz RKBOPJCQXYDKNZ-UHFFFAOYSA-N 0 0 338.798 4.434 50 0 EIAARN CSc1ccccc1C(=O)NC[C@H](O)c1csc2ccccc21 ZINC000225692630 564150314 /nfs/dbraw/zinc/15/03/14/564150314.db2.gz AOMHKQASTMRDCC-HNNXBMFYSA-N 0 0 343.473 4.087 50 0 EIAARN CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000225697610 564150325 /nfs/dbraw/zinc/15/03/25/564150325.db2.gz IPTGDQPWUHLVSB-VXGBXAGGSA-N 0 0 347.484 4.177 50 0 EIAARN COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)o1 ZINC000162104786 564151180 /nfs/dbraw/zinc/15/11/80/564151180.db2.gz BZXNDCUQWJTZBQ-HNNXBMFYSA-N 0 0 334.803 4.448 50 0 EIAARN CCc1ccc(Nc2nnc(S[C@@H]3CCCCC3=O)s2)cc1 ZINC000002627275 564151345 /nfs/dbraw/zinc/15/13/45/564151345.db2.gz SFVIRBMSIDPPOC-CQSZACIVSA-N 0 0 333.482 4.448 50 0 EIAARN COc1cc(C(=O)NC2CCCCC2)ccc1OCc1ccccc1 ZINC000002632503 564151503 /nfs/dbraw/zinc/15/15/03/564151503.db2.gz MSYFTMLYIPQFLX-UHFFFAOYSA-N 0 0 339.435 4.337 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000028575736 564151580 /nfs/dbraw/zinc/15/15/80/564151580.db2.gz FKQVKPRBBFBAKO-KBPBESRZSA-N 0 0 331.387 4.116 50 0 EIAARN COC(=O)c1cccc(NC(=S)Nc2ccc(C)c(Cl)c2)c1 ZINC000002638345 564151615 /nfs/dbraw/zinc/15/16/15/564151615.db2.gz DEULJJNZQKRSOA-UHFFFAOYSA-N 0 0 334.828 4.244 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000002639390 564151666 /nfs/dbraw/zinc/15/16/66/564151666.db2.gz PZPITQZXGYNNRX-UHFFFAOYSA-N 0 0 335.378 4.335 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000002646314 564151811 /nfs/dbraw/zinc/15/18/11/564151811.db2.gz NAOAENOECBMJLB-UHFFFAOYSA-N 0 0 349.415 4.324 50 0 EIAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(=O)c2ccccc2o1 ZINC000002648030 564151841 /nfs/dbraw/zinc/15/18/41/564151841.db2.gz DQNZPKLIFPHBPD-UHFFFAOYSA-N 0 0 348.402 4.036 50 0 EIAARN C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1 ZINC000002658079 564152000 /nfs/dbraw/zinc/15/20/00/564152000.db2.gz SZNLIZUQPOQMCY-NSHDSACASA-N 0 0 349.839 4.231 50 0 EIAARN O=C(Nc1ccccc1OC(F)F)c1cnc(Cl)c(Cl)c1 ZINC000002663448 564152096 /nfs/dbraw/zinc/15/20/96/564152096.db2.gz VWRGHVSYXAEVCD-UHFFFAOYSA-N 0 0 333.121 4.242 50 0 EIAARN CC(C)(CO)Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000002710092 564152188 /nfs/dbraw/zinc/15/21/88/564152188.db2.gz UKFMYPWMPIOMFH-UHFFFAOYSA-N 0 0 327.815 4.133 50 0 EIAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccccc1F ZINC000002721072 564152241 /nfs/dbraw/zinc/15/22/41/564152241.db2.gz XZYKTPFLHLAANB-UHFFFAOYSA-N 0 0 328.412 4.138 50 0 EIAARN CCc1c(C)sc2ncn3nc([C@H]4C[C@@H]4c4ccccc4)nc3c12 ZINC000002805481 564152784 /nfs/dbraw/zinc/15/27/84/564152784.db2.gz WPZNERJASZDRAG-CABCVRRESA-N 0 0 334.448 4.481 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(O)cc3)cc12 ZINC000057288979 564153465 /nfs/dbraw/zinc/15/34/65/564153465.db2.gz LTYZOGAYWMVKAS-UHFFFAOYSA-N 0 0 349.415 4.353 50 0 EIAARN COc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCCC2)cc1 ZINC000029561422 564153692 /nfs/dbraw/zinc/15/36/92/564153692.db2.gz BJGSLJJDMNCMJL-UHFFFAOYSA-N 0 0 341.426 4.005 50 0 EIAARN Cc1cc(OC(=O)c2cccs2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002953769 564153765 /nfs/dbraw/zinc/15/37/65/564153765.db2.gz OGEDGQLVMMUECC-UHFFFAOYSA-N 0 0 340.400 4.261 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1F ZINC000057412650 564154140 /nfs/dbraw/zinc/15/41/40/564154140.db2.gz OENKSZSSXNKCJG-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1)c1ccnn1C(=O)c1ccccc1 ZINC000003017453 564154385 /nfs/dbraw/zinc/15/43/85/564154385.db2.gz RXDXZHOIOKOHBK-ZDUSSCGKSA-N 0 0 326.783 4.365 50 0 EIAARN C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000030116437 564155420 /nfs/dbraw/zinc/15/54/20/564155420.db2.gz 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O=C(NCCCSc1ccccc1)[C@@H]1Cc2ccccc2S1 ZINC000031355294 564159336 /nfs/dbraw/zinc/15/93/36/564159336.db2.gz VNYOLXATMITBEG-KRWDZBQOSA-N 0 0 329.490 4.002 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)sc1Cl ZINC000263095234 564159504 /nfs/dbraw/zinc/15/95/04/564159504.db2.gz IHRWTIOLORVNBX-IEBDPFPHSA-N 0 0 334.268 4.273 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004081339 564160407 /nfs/dbraw/zinc/16/04/07/564160407.db2.gz OQHMNEGOKQMOFM-YQUGOWONSA-N 0 0 332.484 4.242 50 0 biogenic EIAARN CC(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)cc1F ZINC000357724133 564161182 /nfs/dbraw/zinc/16/11/82/564161182.db2.gz YKFYPSPQWZUFNR-UHFFFAOYSA-N 0 0 343.398 4.478 50 0 EIAARN COc1ccc2[nH]cc(C3=CCN(C(=O)C4CCCCC4)CC3)c2c1 ZINC000032337823 564161235 /nfs/dbraw/zinc/16/12/35/564161235.db2.gz DMUBNCBZKGYGBE-UHFFFAOYSA-N 0 0 338.451 4.373 50 0 EIAARN COc1ccc(-c2ccc(C[NH2+]C3CCC(C(=O)[O-])CC3)cc2)cc1 ZINC000263388699 564161480 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COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3ccccn3)ccc2c1 ZINC000008025290 564162230 /nfs/dbraw/zinc/16/22/30/564162230.db2.gz KBJNKRHRVKXZKK-LSDHHAIUSA-N 0 0 334.419 4.224 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2cccc(C)c2C)c(C)n1 ZINC000008060316 564162407 /nfs/dbraw/zinc/16/24/07/564162407.db2.gz HUGFFOZEDIDODV-UHFFFAOYSA-N 0 0 329.469 4.003 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)s1 ZINC000066445438 564162488 /nfs/dbraw/zinc/16/24/88/564162488.db2.gz FMWLSUULJZSFAB-CQSZACIVSA-N 0 0 327.409 4.037 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000008073879 564162513 /nfs/dbraw/zinc/16/25/13/564162513.db2.gz DDXKQXVKIDRQBV-LLVKDONJSA-N 0 0 342.345 4.419 50 0 EIAARN Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000008075718 564162545 /nfs/dbraw/zinc/16/25/45/564162545.db2.gz YRKYHWQZOLICNA-UHFFFAOYSA-N 0 0 346.789 4.167 50 0 EIAARN CCCc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1 ZINC000008095194 564162635 /nfs/dbraw/zinc/16/26/35/564162635.db2.gz RWOZTSSGQPNQOP-ZDUSSCGKSA-N 0 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Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(-n2cccn2)c1 ZINC000097729444 219051568 /nfs/dbraw/zinc/05/15/68/219051568.db2.gz CGRPGSKVOGUBGW-HXUWFJFHSA-N 0 0 331.419 4.158 50 0 EIAARN Cc1nnc(S[C@H](C)c2nc3ccccc3n2C(F)F)s1 ZINC000054679847 214251567 /nfs/dbraw/zinc/25/15/67/214251567.db2.gz WOHAXCOAWMLDOL-SSDOTTSWSA-N 0 0 326.397 4.445 50 0 EIAARN Cc1ncsc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 ZINC000055016780 214265134 /nfs/dbraw/zinc/26/51/34/214265134.db2.gz WNBULJHQCOQMSI-UHFFFAOYSA-N 0 0 348.431 4.327 50 0 EIAARN CC[C@H]1CN(Cc2ccc(O)c(OC)c2)Cc2ccc(Cl)cc2O1 ZINC000055042123 214266526 /nfs/dbraw/zinc/26/65/26/214266526.db2.gz QMXSNCOOCHUGBB-INIZCTEOSA-N 0 0 347.842 4.227 50 0 EIAARN CCCCCc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C)[nH]2)cc1 ZINC000097745147 219053188 /nfs/dbraw/zinc/05/31/88/219053188.db2.gz AAOQKXUXMCZJGS-QGZVFWFLSA-N 0 0 341.459 4.215 50 0 EIAARN CC[C@@H](c1ccccn1)N(C)C(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000097744973 219053621 /nfs/dbraw/zinc/05/36/21/219053621.db2.gz CFKNUGAQGLCUFL-KRWDZBQOSA-N 0 0 334.423 4.003 50 0 EIAARN Cc1ccc(C)c(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c1 ZINC000004696861 210250503 /nfs/dbraw/zinc/25/05/03/210250503.db2.gz BFIVUNIEZKYGGG-HNNXBMFYSA-N 0 0 327.811 4.079 50 0 EIAARN CCCCC(=O)Nc1ccc(NC(=O)c2snnc2C(C)C)cc1 ZINC000055053522 214267967 /nfs/dbraw/zinc/26/79/67/214267967.db2.gz WKGSDIGDWZCPRG-UHFFFAOYSA-N 0 0 346.456 4.043 50 0 EIAARN Cc1nn(C)c(C)c1CN(C(=O)Cc1cccc2ccccc21)C(C)C ZINC000055166998 214281756 /nfs/dbraw/zinc/28/17/56/214281756.db2.gz STLVUNLLDVCBPU-UHFFFAOYSA-N 0 0 349.478 4.170 50 0 EIAARN Cc1cc(C)c(NC(=O)N[C@H](c2nccn2C)C(C)C)c(Cl)c1 ZINC000097785109 219056390 /nfs/dbraw/zinc/05/63/90/219056390.db2.gz WHMLXGXNPPHMSI-AWEZNQCLSA-N 0 0 334.851 4.209 50 0 EIAARN COCC1(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C(C)C)CCC1 ZINC000055413604 214321766 /nfs/dbraw/zinc/32/17/66/214321766.db2.gz WFRPICJJXBFWDY-IBGZPJMESA-N 0 0 340.467 4.066 50 0 EIAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)CCc1ccc(F)c(F)c1 ZINC000055568883 214330305 /nfs/dbraw/zinc/33/03/05/214330305.db2.gz 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CCCc1ncc([C@@](O)(c2ccccc2)c2cc(C)ccc2C)n1C ZINC000004663982 210240952 /nfs/dbraw/zinc/24/09/52/210240952.db2.gz PLRIJQYABADXAE-JOCHJYFZSA-N 0 0 334.463 4.274 50 0 EIAARN CC(=O)c1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)OCO2 ZINC000004659253 210240467 /nfs/dbraw/zinc/24/04/67/210240467.db2.gz NFPNTELKIQOTOH-UHFFFAOYSA-N 0 0 339.391 4.168 50 0 EIAARN COc1ccc(/C=C2/CCn3c2nc2ccc(Cl)cc2c3=O)cc1 ZINC000097992396 219066746 /nfs/dbraw/zinc/06/67/46/219066746.db2.gz WYHVIYUDSZPQBD-RAXLEYEMSA-N 0 0 338.794 4.003 50 0 EIAARN O=C(Nc1nnc(-c2cccs2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000004655861 210238543 /nfs/dbraw/zinc/23/85/43/210238543.db2.gz RUFXTJDUFFXREA-UHFFFAOYSA-N 0 0 345.493 4.422 50 0 EIAARN Cc1cccc(C)c1-n1nnnc1C1(Nc2ccccc2)CCCC1 ZINC000004644947 210236561 /nfs/dbraw/zinc/23/65/61/210236561.db2.gz XWOIWWPCKYYZLS-UHFFFAOYSA-N 0 0 333.439 4.161 50 0 EIAARN O=C(Nc1ccccc1OC1CCCC1)N1CCC2(C1)CCOCC2 ZINC000098014248 219069837 /nfs/dbraw/zinc/06/98/37/219069837.db2.gz HUUCBVICGRYMQW-UHFFFAOYSA-N 0 0 344.455 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328.371 4.405 50 0 EIAARN Cc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000004588659 210227946 /nfs/dbraw/zinc/22/79/46/210227946.db2.gz JKPXXCVTQGXPDI-GDNBJRDFSA-N 0 0 342.192 4.102 50 0 EIAARN O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C\c1cccnc1 ZINC000004588773 210227608 /nfs/dbraw/zinc/22/76/08/210227608.db2.gz YQINPDYMQUHYIZ-UYRXBGFRSA-N 0 0 326.355 4.093 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000049548153 214017327 /nfs/dbraw/zinc/01/73/27/214017327.db2.gz CWIMCOJKNNGZHO-QGZVFWFLSA-N 0 0 333.391 4.123 50 0 EIAARN Cn1ncc2c1NC(=O)CS[C@H]2c1cccc(OC2CCCC2)c1 ZINC000049545359 214016743 /nfs/dbraw/zinc/01/67/43/214016743.db2.gz GSNCTWJLTOAVKR-KRWDZBQOSA-N 0 0 343.452 4.166 50 0 EIAARN Cc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc1 ZINC000004584509 210226220 /nfs/dbraw/zinc/22/62/20/210226220.db2.gz KFHUZCNXMYWSBR-UHFFFAOYSA-N 0 0 340.839 4.265 50 0 EIAARN CCc1ccc(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 ZINC000004579392 210225834 /nfs/dbraw/zinc/22/58/34/210225834.db2.gz 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/nfs/dbraw/zinc/21/78/79/210217879.db2.gz MDNULXFZTNAMQK-UHFFFAOYSA-N 0 0 340.206 4.328 50 0 EIAARN Cc1cc(OCC(=O)c2ccc(Cl)cc2)c2c(C)cc(=O)oc2c1 ZINC000004540380 210217030 /nfs/dbraw/zinc/21/70/30/210217030.db2.gz QXKOJYJPHQCHIN-UHFFFAOYSA-N 0 0 342.778 4.325 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000004539390 210217062 /nfs/dbraw/zinc/21/70/62/210217062.db2.gz LZIRRUQYBGTFJI-CQSZACIVSA-N 0 0 338.432 4.140 50 0 EIAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 ZINC000004525563 210213989 /nfs/dbraw/zinc/21/39/89/210213989.db2.gz IHIULIUAYBBVFZ-VFZGTOFNSA-N 0 0 332.856 4.380 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000004524666 210213590 /nfs/dbraw/zinc/21/35/90/210213590.db2.gz FIVGCQMFLIGFEW-UHFFFAOYSA-N 0 0 337.206 4.228 50 0 EIAARN Cc1cc(C)c2cccc(NC=C3N=C(c4ccccc4)OC3=O)c2n1 ZINC000100147184 219092363 /nfs/dbraw/zinc/09/23/63/219092363.db2.gz KOJIJRPYYRLXRB-LDADJPATSA-N 0 0 343.386 4.109 50 0 EIAARN CCSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000004515973 210211165 /nfs/dbraw/zinc/21/11/65/210211165.db2.gz SLUMIILAWCPLDV-UHFFFAOYSA-N 0 0 330.840 4.210 50 0 EIAARN COC(=N)c1nccnc1SCc1ccc(Cl)cc1Cl ZINC000100216451 219094398 /nfs/dbraw/zinc/09/43/98/219094398.db2.gz FOWJPAZWTABLHF-UHFFFAOYSA-N 0 0 328.224 4.047 50 0 EIAARN CSc1nnc(C)c(C=CNc2ccc(C(F)(F)F)cc2)n1 ZINC000100323032 219096916 /nfs/dbraw/zinc/09/69/16/219096916.db2.gz KDQUHFLMBTUMOX-BQYQJAHWSA-N 0 0 326.347 4.004 50 0 EIAARN Cc1ccc(SCC(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000004496500 210203472 /nfs/dbraw/zinc/20/34/72/210203472.db2.gz NGZQJRXXOMSEAX-UHFFFAOYSA-N 0 0 332.425 4.475 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000004484936 210200008 /nfs/dbraw/zinc/20/00/08/210200008.db2.gz IQKBAQYTPYKTKN-ZYHUDNBSSA-N 0 0 337.876 4.003 50 0 EIAARN CCOc1ccc([C@@H]2C=C(c3ccc(C)cc3)N=C3N=NNN32)cc1 ZINC000100536587 219101187 /nfs/dbraw/zinc/10/11/87/219101187.db2.gz PSFHJIXOWIAKGG-SFHVURJKSA-N 0 0 333.395 4.033 50 0 EIAARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cccs1 ZINC000004479412 210198363 /nfs/dbraw/zinc/19/83/63/210198363.db2.gz VQIIKFUUODCBRY-UHFFFAOYSA-N 0 0 340.191 4.357 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)c3ccn(C(C)C)n3)c2)cs1 ZINC000049377852 214003534 /nfs/dbraw/zinc/00/35/34/214003534.db2.gz VXTYNDJQWBNNTA-UHFFFAOYSA-N 0 0 326.425 4.148 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)/C(Cl)=C\c2ccccc2)cc1 ZINC000004466048 210194427 /nfs/dbraw/zinc/19/44/27/210194427.db2.gz AXLAIGLUQMKDLK-FOWTUZBSSA-N 0 0 329.783 4.082 50 0 EIAARN CC(=O)Nc1cccc(-c2csc(Nc3cccc(O)c3)n2)c1 ZINC000004458432 210194091 /nfs/dbraw/zinc/19/40/91/210194091.db2.gz AXERHRTWWHUNGZ-UHFFFAOYSA-N 0 0 325.393 4.218 50 0 EIAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1cccc(Cl)c1C ZINC000064472062 214787866 /nfs/dbraw/zinc/78/78/66/214787866.db2.gz HMDNMIKWXIRHNG-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1c1ccc2ccccc2c1 ZINC000100750530 219105834 /nfs/dbraw/zinc/10/58/34/219105834.db2.gz ZRXQJXPBDMICKB-SFHVURJKSA-N 0 0 340.382 4.368 50 0 biogenic EIAARN CCCn1cc([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 ZINC000100785943 219106787 /nfs/dbraw/zinc/10/67/87/219106787.db2.gz SKXUDWGRSSYDLH-SFHVURJKSA-N 0 0 346.430 4.407 50 0 EIAARN CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1cccc2ccccc21 ZINC000064567342 214792759 /nfs/dbraw/zinc/79/27/59/214792759.db2.gz HHOSTXTXGHCGEJ-FQEVSTJZSA-N 0 0 334.350 4.218 50 0 EIAARN CCOC(=O)c1s/c(=N/c2ccccc2)n(-c2ccccc2)c1C ZINC000100840836 219108823 /nfs/dbraw/zinc/10/88/23/219108823.db2.gz WFGIJPBLGHZXHY-FMQUCBEESA-N 0 0 338.432 4.256 50 0 EIAARN Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1C(=O)NC(C)C ZINC000004394655 210187484 /nfs/dbraw/zinc/18/74/84/210187484.db2.gz RQZHRQDYTBNDLO-UHFFFAOYSA-N 0 0 344.802 4.133 50 0 EIAARN COc1c(C(=O)NCc2cccc(C)c2)sc2cccc(F)c21 ZINC000064756397 214801649 /nfs/dbraw/zinc/80/16/49/214801649.db2.gz DDEZAEZHFYAGRX-UHFFFAOYSA-N 0 0 329.396 4.287 50 0 EIAARN Nc1sc(=S)nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000101002764 219113639 /nfs/dbraw/zinc/11/36/39/219113639.db2.gz UKTAYVLTKNZRRV-UHFFFAOYSA-N 0 0 345.518 4.058 50 0 EIAARN CCCCn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000101110504 219115744 /nfs/dbraw/zinc/11/57/44/219115744.db2.gz MPACTYXRBYJAIV-SFHVURJKSA-N 0 0 347.418 4.154 50 0 EIAARN CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000004370861 210181746 /nfs/dbraw/zinc/18/17/46/210181746.db2.gz LCWNXHLYUNJFIP-CYBMUJFWSA-N 0 0 341.842 4.325 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818514 214807050 /nfs/dbraw/zinc/80/70/50/214807050.db2.gz VGEAYEDKECRQFV-UHFFFAOYSA-N 0 0 342.349 4.077 50 0 EIAARN Nc1cccc(-c2nnc(/C=C/c3ccc(OC(F)(F)F)cc3)o2)c1 ZINC000004364733 210180438 /nfs/dbraw/zinc/18/04/38/210180438.db2.gz QTRPTSVEORZSAF-RMKNXTFCSA-N 0 0 347.296 4.388 50 0 EIAARN COc1cccc(CSc2nnc(C)n2-c2ccc(C)cc2)c1 ZINC000004354792 210178538 /nfs/dbraw/zinc/17/85/38/210178538.db2.gz QLIHJQQCEQVMLG-UHFFFAOYSA-N 0 0 325.437 4.185 50 0 EIAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(OCC)cc2)no1 ZINC000064984555 214820383 /nfs/dbraw/zinc/82/03/83/214820383.db2.gz FLOQBXJLTHEYNS-GOSISDBHSA-N 0 0 343.427 4.395 50 0 EIAARN Cc1cc2c(cc(C(=O)NCC(C)C)n2CCOc2ccccc2)o1 ZINC000004345687 210175340 /nfs/dbraw/zinc/17/53/40/210175340.db2.gz KMTNTOFQOAXKEN-UHFFFAOYSA-N 0 0 340.423 4.008 50 0 EIAARN COc1ccc(NCc2c(C)nn(-c3ccccc3)c2C)c(OC)c1 ZINC000065154904 214834605 /nfs/dbraw/zinc/83/46/05/214834605.db2.gz OMQULCKJIXMYRR-UHFFFAOYSA-N 0 0 337.423 4.118 50 0 EIAARN O=C(COC(=O)c1cc2ccccc2o1)Nc1ccc2ccccc2c1 ZINC000004332541 210173396 /nfs/dbraw/zinc/17/33/96/210173396.db2.gz IXLMZTOYJSNTBZ-UHFFFAOYSA-N 0 0 345.354 4.382 50 0 EIAARN Cn1cc2c3c1cccc3CN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000065148790 214832291 /nfs/dbraw/zinc/83/22/91/214832291.db2.gz CTGXOHCRZKWBQE-UHFFFAOYSA-N 0 0 342.801 4.169 50 0 EIAARN Cc1ccc(C)c(CSc2ccc3nnc(-c4ccncc4)n3n2)c1 ZINC000004328130 210172144 /nfs/dbraw/zinc/17/21/44/210172144.db2.gz NXTSWVRCIJYMBU-UHFFFAOYSA-N 0 0 347.447 4.095 50 0 EIAARN CC(C)n1c2ncccc2nc1-c1cccc(C(=O)N2CCCCC2)c1 ZINC000065172740 214837965 /nfs/dbraw/zinc/83/79/65/214837965.db2.gz FATCQOSUMAAGNX-UHFFFAOYSA-N 0 0 348.450 4.305 50 0 EIAARN CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000004322998 210170376 /nfs/dbraw/zinc/17/03/76/210170376.db2.gz FEKKICDAEXIOOG-UHFFFAOYSA-N 0 0 329.407 4.430 50 0 EIAARN Cc1cc(C)cc(-c2nnc(Cc3nc(-c4ccccc4C)no3)o2)c1 ZINC000065185461 214840063 /nfs/dbraw/zinc/84/00/63/214840063.db2.gz KQBVNLDBKLEKSR-UHFFFAOYSA-N 0 0 346.390 4.303 50 0 EIAARN CCn1ccc2c1cccc2CCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000065210226 214843733 /nfs/dbraw/zinc/84/37/33/214843733.db2.gz GGGVVDLNROIXNA-UHFFFAOYSA-N 0 0 349.434 4.191 50 0 EIAARN CC(C)c1nnc(-c2sccc2NC(=O)c2ccccc2F)o1 ZINC000065218694 214845494 /nfs/dbraw/zinc/84/54/94/214845494.db2.gz YHGLBVSWSLJEJM-UHFFFAOYSA-N 0 0 331.372 4.313 50 0 EIAARN Cc1ccc(COc2coc(CN3CCc4ccccc43)cc2=O)cc1 ZINC000004304530 210164934 /nfs/dbraw/zinc/16/49/34/210164934.db2.gz NNEMSRQLGUOXJB-UHFFFAOYSA-N 0 0 347.414 4.090 50 0 EIAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)Nc1ccccc1 ZINC000004304992 210164982 /nfs/dbraw/zinc/16/49/82/210164982.db2.gz GLOBQXKBQDGTDU-LJQANCHMSA-N 0 0 347.418 4.205 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1ccc(F)cc1 ZINC000004287951 210162035 /nfs/dbraw/zinc/16/20/35/210162035.db2.gz OANQECHFCVYUED-SNVBAGLBSA-N 0 0 348.834 4.305 50 0 EIAARN C[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccnc2)C1 ZINC000101545547 219134283 /nfs/dbraw/zinc/13/42/83/219134283.db2.gz UNIZIMLURLYACS-CWTRNNRKSA-N 0 0 330.391 4.349 50 0 EIAARN COc1ccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)cc1 ZINC000004276096 210158247 /nfs/dbraw/zinc/15/82/47/210158247.db2.gz NMXICTQJVKTYJW-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(F)cc2)S3)c1 ZINC000004268634 210156649 /nfs/dbraw/zinc/15/66/49/210156649.db2.gz DZQLJDXJNHVBBG-OAHLLOKOSA-N 0 0 339.395 4.270 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000048276242 213909676 /nfs/dbraw/zinc/90/96/76/213909676.db2.gz RFMDRSOEPSHPEA-CQSZACIVSA-N 0 0 343.477 4.485 50 0 EIAARN O=C1C[C@@H](c2ccsc2)c2cnn(-c3ccc(Cl)cc3)c2N1 ZINC000065331322 214872524 /nfs/dbraw/zinc/87/25/24/214872524.db2.gz GTFZPAJTMVBDAF-ZDUSSCGKSA-N 0 0 329.812 4.061 50 0 EIAARN O=C1C[C@@H](c2ccc(F)cc2Cl)c2cnn(-c3ccccc3)c2N1 ZINC000065365039 214876257 /nfs/dbraw/zinc/87/62/57/214876257.db2.gz QUXOUZVUUCCIOQ-AWEZNQCLSA-N 0 0 341.773 4.139 50 0 EIAARN COc1ccc2[nH]c(S[C@H](C)C(=O)c3ccc(F)c(F)c3)nc2c1 ZINC000004252440 210153699 /nfs/dbraw/zinc/15/36/99/210153699.db2.gz VIFAKUHVEMIOSU-SECBINFHSA-N 0 0 348.374 4.213 50 0 EIAARN Cc1nc2ccccc2c(SCC(=O)Nc2ccccc2Cl)n1 ZINC000004241111 210149975 /nfs/dbraw/zinc/14/99/75/210149975.db2.gz NATXNOOLOQOADA-UHFFFAOYSA-N 0 0 343.839 4.322 50 0 EIAARN C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1 ZINC000004242718 210149946 /nfs/dbraw/zinc/14/99/46/210149946.db2.gz LIIKEGYZEZWZEQ-QMMMGPOBSA-N 0 0 344.219 4.239 50 0 EIAARN Cc1nc2ccccc2c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1 ZINC000004241836 210149543 /nfs/dbraw/zinc/14/95/43/210149543.db2.gz HWQPBKOJYVIPKJ-LLVKDONJSA-N 0 0 348.431 4.028 50 0 EIAARN Cn1nc(C2CC2)c2c1NC(=O)C[C@@H]2c1cccc(Cl)c1Cl ZINC000065406531 214897937 /nfs/dbraw/zinc/89/79/37/214897937.db2.gz NATKKJYLNLXCII-SNVBAGLBSA-N 0 0 336.222 4.078 50 0 EIAARN CCOC(=O)N(C)c1ccc(NC(=O)N(CC)[C@@H](C)C(C)C)cc1 ZINC000065416493 214902101 /nfs/dbraw/zinc/90/21/01/214902101.db2.gz ISKDQJXIFPWLGW-AWEZNQCLSA-N 0 0 335.448 4.178 50 0 EIAARN C[C@H]1CN=C(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)S1 ZINC000004207794 210145919 /nfs/dbraw/zinc/14/59/19/210145919.db2.gz DISFNROFKDRZKM-ZDUSSCGKSA-N 0 0 343.427 4.351 50 0 EIAARN O=C(CCc1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000004194472 210143980 /nfs/dbraw/zinc/14/39/80/210143980.db2.gz RQGOVWWFMBSAQU-UHFFFAOYSA-N 0 0 334.444 4.480 50 0 EIAARN Fc1ccc(-c2nnc3ccc(SCc4ccccc4)nn32)cc1 ZINC000004164462 210136939 /nfs/dbraw/zinc/13/69/39/210136939.db2.gz KXHQTXLHJUYCIC-UHFFFAOYSA-N 0 0 336.395 4.223 50 0 EIAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)ns1 ZINC000004167218 210136293 /nfs/dbraw/zinc/13/62/93/210136293.db2.gz QZEMIIIPPCRNMB-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN COc1ccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)cc1OC ZINC000004163229 210135511 /nfs/dbraw/zinc/13/55/11/210135511.db2.gz QPXZHUUPJQXXCY-UHFFFAOYSA-N 0 0 340.423 4.222 50 0 EIAARN CCCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)C[C@H](C)CC2 ZINC000004144638 210131925 /nfs/dbraw/zinc/13/19/25/210131925.db2.gz AXYILPIOMQQSJH-LLVKDONJSA-N 0 0 337.485 4.424 50 0 EIAARN Cc1cccc(OC(F)F)c1NC(=O)N(C)Cc1ccsc1 ZINC000065565236 214962669 /nfs/dbraw/zinc/96/26/69/214962669.db2.gz ZGUPJBDDVGBSOE-UHFFFAOYSA-N 0 0 326.368 4.322 50 0 EIAARN COc1cccc(-n2c(/C=C/c3ccco3)nc3ccccc3c2=O)c1 ZINC000004104213 210120383 /nfs/dbraw/zinc/12/03/83/210120383.db2.gz MIYKEXYJHVOSKW-VAWYXSNFSA-N 0 0 344.370 4.158 50 0 EIAARN CCCC(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C ZINC000004093692 210119505 /nfs/dbraw/zinc/11/95/05/210119505.db2.gz JPMQVNAXVMBEER-UHFFFAOYSA-N 0 0 328.803 4.121 50 0 EIAARN CCOc1ccccc1C(=O)Nc1ccc(NCc2ccccn2)cc1 ZINC000065621701 214983857 /nfs/dbraw/zinc/98/38/57/214983857.db2.gz MGGAITDJZISJLF-UHFFFAOYSA-N 0 0 347.418 4.345 50 0 EIAARN COC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C2 ZINC000004085336 210115988 /nfs/dbraw/zinc/11/59/88/210115988.db2.gz CBCNWSQQAZIOEP-OAHLLOKOSA-N 0 0 326.392 4.411 50 0 biogenic EIAARN CCC(CC)C(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 ZINC000004077343 210115485 /nfs/dbraw/zinc/11/54/85/210115485.db2.gz SKIHYYXOGKCHAV-UHFFFAOYSA-N 0 0 329.469 4.302 50 0 EIAARN CCCCC(=O)Nc1nnc(SCc2cccc(F)c2)s1 ZINC000004078275 210115041 /nfs/dbraw/zinc/11/50/41/210115041.db2.gz DDNJAVSZBQBFPG-UHFFFAOYSA-N 0 0 325.434 4.098 50 0 EIAARN CCC(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 ZINC000004078211 210115225 /nfs/dbraw/zinc/11/52/25/210115225.db2.gz FYZOMMUBHSEBKG-UHFFFAOYSA-N 0 0 347.387 4.198 50 0 EIAARN Cc1c(C(=O)C(=O)Nc2c(C)cc(C)cc2C)c2ccccc2n1C ZINC000004062667 210111862 /nfs/dbraw/zinc/11/18/62/210111862.db2.gz QGPBUKRRLIOLIO-UHFFFAOYSA-N 0 0 334.419 4.233 50 0 EIAARN CCCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C ZINC000004050107 210107094 /nfs/dbraw/zinc/10/70/94/210107094.db2.gz PVOVIWVQLRMNBU-UHFFFAOYSA-N 0 0 335.494 4.342 50 0 EIAARN FC(F)(F)c1nc2ccccc2n2c(/C=C/c3ccccc3)nnc12 ZINC000004053031 210109473 /nfs/dbraw/zinc/10/94/73/210109473.db2.gz WVMCQDGCEIFSAW-ZHACJKMWSA-N 0 0 340.308 4.467 50 0 EIAARN Cc1c(NC(=O)c2ccc3c(c2)OCCCO3)cccc1-n1cccc1 ZINC000046077854 213778766 /nfs/dbraw/zinc/77/87/66/213778766.db2.gz UCKQBAZDYQQPHS-UHFFFAOYSA-N 0 0 348.402 4.199 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)c(C)c1 ZINC000046018251 213774005 /nfs/dbraw/zinc/77/40/05/213774005.db2.gz VXRYKPXOXJLSDT-SFHVURJKSA-N 0 0 347.455 4.277 50 0 EIAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(F)cc1 ZINC000004033084 210104535 /nfs/dbraw/zinc/10/45/35/210104535.db2.gz BHYWJTJZVANMSU-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN COc1cccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000046018638 213773771 /nfs/dbraw/zinc/77/37/71/213773771.db2.gz BXLUVBDZGZKSCP-GOSISDBHSA-N 0 0 344.842 4.395 50 0 EIAARN CC(C)CCCCCCOc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000004025552 210102021 /nfs/dbraw/zinc/10/20/21/210102021.db2.gz AEDXTQTXHLFXGF-FQEVSTJZSA-N 0 0 346.471 4.273 50 0 biogenic EIAARN Cc1cccc2nc(-c3nnc(Cc4ccc(Cl)cc4)o3)c(F)n21 ZINC000066088507 215008969 /nfs/dbraw/zinc/00/89/69/215008969.db2.gz VBIOHMHQXNDALT-UHFFFAOYSA-N 0 0 342.761 4.076 50 0 EIAARN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1Cl ZINC000004006276 210098481 /nfs/dbraw/zinc/09/84/81/210098481.db2.gz SZQLAWNXRYASKW-OAHLLOKOSA-N 0 0 348.855 4.143 50 0 EIAARN Cc1[nH]nc2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C2 ZINC000003983823 210097594 /nfs/dbraw/zinc/09/75/94/210097594.db2.gz GHWUZZCCPXLMSI-PJLSOGJUSA-N 0 0 328.500 4.135 50 0 biogenic EIAARN Cc1ccc(C(=O)Nc2c(C)cccc2NC(=O)NC(C)(C)C)cc1 ZINC000066088679 215009382 /nfs/dbraw/zinc/00/93/82/215009382.db2.gz UJTROBPHMJNLHJ-UHFFFAOYSA-N 0 0 339.439 4.476 50 0 EIAARN CC[C@H](C)OC(=O)c1nc2ccccc2nc1Nc1ccc(F)cc1 ZINC000045901647 213765464 /nfs/dbraw/zinc/76/54/64/213765464.db2.gz NRFFBACGPRPCHS-LBPRGKRZSA-N 0 0 339.370 4.468 50 0 EIAARN Cc1ccc(O)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000003907690 210091430 /nfs/dbraw/zinc/09/14/30/210091430.db2.gz NCHUOXHFMFHTQL-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN CC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccc(C)c(C)c3)nn21 ZINC000102112562 219186798 /nfs/dbraw/zinc/18/67/98/219186798.db2.gz CALRFEUMZLUQJQ-NRFANRHFSA-N 0 0 346.434 4.097 50 0 EIAARN CCn1cc(CC[C@@H](C)NC(=O)c2cccs2)c2ccccc21 ZINC000003765565 210073631 /nfs/dbraw/zinc/07/36/31/210073631.db2.gz VGEIUULANVASPX-CQSZACIVSA-N 0 0 326.465 4.474 50 0 EIAARN c1cc(C2OCCO2)n(-c2ccc3noc(-c4ccccc4)c3c2)c1 ZINC000003656000 210071466 /nfs/dbraw/zinc/07/14/66/210071466.db2.gz ARZJYSTVCJAEKR-UHFFFAOYSA-N 0 0 332.359 4.331 50 0 EIAARN COc1ccc(OCCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000003606543 210064612 /nfs/dbraw/zinc/06/46/12/210064612.db2.gz HXWXRNRZWNIEOV-HXUWFJFHSA-N 0 0 339.435 4.048 50 0 EIAARN CCOC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000045170302 213712465 /nfs/dbraw/zinc/71/24/65/213712465.db2.gz GZJCWFGSWMRGPE-UHFFFAOYSA-N 0 0 330.331 4.011 50 0 EIAARN Cc1ccc(OCCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000003613337 210066192 /nfs/dbraw/zinc/06/61/92/210066192.db2.gz NEBOTFNVPKDXHE-UHFFFAOYSA-N 0 0 348.240 4.474 50 0 EIAARN CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2s1 ZINC000003602826 210063240 /nfs/dbraw/zinc/06/32/40/210063240.db2.gz SDTICHJHDJWDOC-UHFFFAOYSA-N 0 0 328.462 4.047 50 0 EIAARN COc1ccc(NC(=S)N2CC[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000003588584 210058926 /nfs/dbraw/zinc/05/89/26/210058926.db2.gz SCOIWXYHKHRONI-MRXNPFEDSA-N 0 0 326.465 4.190 50 0 EIAARN O=C(OCc1cccc2ccccc21)c1cc(=O)c2ccccc2o1 ZINC000003571147 210057424 /nfs/dbraw/zinc/05/74/24/210057424.db2.gz IHMSWQOJSUPIIW-UHFFFAOYSA-N 0 0 330.339 4.303 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000003565786 210056007 /nfs/dbraw/zinc/05/60/07/210056007.db2.gz VJAQTZBMBGMPKC-UHFFFAOYSA-N 0 0 337.778 4.068 50 0 EIAARN C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1 ZINC000066592777 215057599 /nfs/dbraw/zinc/05/75/99/215057599.db2.gz RTPSOLPMBCBKDF-GFCCVEGCSA-N 0 0 334.341 4.009 50 0 EIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1COc2ccccc2O1 ZINC000003554077 210052973 /nfs/dbraw/zinc/05/29/73/210052973.db2.gz IOUKAASEODZPSG-HXUWFJFHSA-N 0 0 347.370 4.257 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000003548939 210052411 /nfs/dbraw/zinc/05/24/11/210052411.db2.gz PYPQEMKIKVCNPB-UHFFFAOYSA-N 0 0 333.815 4.237 50 0 EIAARN COc1ccccc1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000003547411 210051416 /nfs/dbraw/zinc/05/14/16/210051416.db2.gz SXWIOXBVJRWDIZ-UHFFFAOYSA-N 0 0 329.827 4.087 50 0 EIAARN CCOc1ccc([C@H](C)NC(=O)c2ccccc2F)cc1OCC ZINC000003459397 210045737 /nfs/dbraw/zinc/04/57/37/210045737.db2.gz SRWNHSSIPYPQFH-ZDUSSCGKSA-N 0 0 331.387 4.114 50 0 EIAARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCO2 ZINC000003461983 210047185 /nfs/dbraw/zinc/04/71/85/210047185.db2.gz SVOCRLSTVFFCJE-FPYGCLRLSA-N 0 0 335.281 4.086 50 0 EIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000003443698 210041951 /nfs/dbraw/zinc/04/19/51/210041951.db2.gz XBXHQSAQPVREPA-SECBINFHSA-N 0 0 343.732 4.472 50 0 EIAARN Cc1cccc(NC(=O)CSc2ccc(Br)cc2)c1 ZINC000003441624 210040426 /nfs/dbraw/zinc/04/04/26/210040426.db2.gz IWZUSCQZFXIVML-UHFFFAOYSA-N 0 0 336.254 4.488 50 0 EIAARN COc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCC2)c1 ZINC000003422972 210034272 /nfs/dbraw/zinc/03/42/72/210034272.db2.gz OBOWSRFYXQVLNA-UHFFFAOYSA-N 0 0 338.407 4.076 50 0 EIAARN CSc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000102657206 219219434 /nfs/dbraw/zinc/21/94/34/219219434.db2.gz FVHCDBDORNVEES-MRXNPFEDSA-N 0 0 340.452 4.308 50 0 EIAARN Cc1cc(C(=O)COC(=O)c2ccc(C)cc2C)c(C)n1C1CC1 ZINC000003424980 210036334 /nfs/dbraw/zinc/03/63/34/210036334.db2.gz BRXQPNMLYOJOAE-UHFFFAOYSA-N 0 0 325.408 4.096 50 0 EIAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccccc1OC(F)F ZINC000003406249 210029959 /nfs/dbraw/zinc/02/99/59/210029959.db2.gz JPVGWKOKWQIMHA-UKTHLTGXSA-N 0 0 349.720 4.286 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cccc(C)c1O ZINC000003378395 210022948 /nfs/dbraw/zinc/02/29/48/210022948.db2.gz HUOKVXWYEUUAMJ-CYBMUJFWSA-N 0 0 341.407 4.010 50 0 EIAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000102755331 219227836 /nfs/dbraw/zinc/22/78/36/219227836.db2.gz JNIWQOWJKOZQPN-KRWDZBQOSA-N 0 0 329.396 4.287 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000003377932 210022365 /nfs/dbraw/zinc/02/23/65/210022365.db2.gz IXJPNJOATYOJII-QGZVFWFLSA-N 0 0 339.435 4.486 50 0 EIAARN c1csc(-c2nnc(SC[C@H]3CCCO3)n2-c2ccccc2)c1 ZINC000003372061 210021402 /nfs/dbraw/zinc/02/14/02/210021402.db2.gz HBLJOAFFIFAIGI-CQSZACIVSA-N 0 0 343.477 4.267 50 0 EIAARN CCc1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000003374287 210021016 /nfs/dbraw/zinc/02/10/16/210021016.db2.gz WUSIXYBLZGLJOH-LJQANCHMSA-N 0 0 325.408 4.059 50 0 EIAARN O=C(CSc1nnc(Nc2ccccc2)s1)c1ccccc1 ZINC000003369529 210019804 /nfs/dbraw/zinc/01/98/04/210019804.db2.gz ANELZUMFBSIRLZ-UHFFFAOYSA-N 0 0 327.434 4.257 50 0 EIAARN O=C(COc1ccc2ccccc2c1)N[C@H]1CCCc2ccccc21 ZINC000003355591 210017266 /nfs/dbraw/zinc/01/72/66/210017266.db2.gz MNQUXNOBBYVKHS-NRFANRHFSA-N 0 0 331.415 4.412 50 0 EIAARN CSCCCNC(=S)N(Cc1ccccc1)c1ccccc1 ZINC000003355149 210017065 /nfs/dbraw/zinc/01/70/65/210017065.db2.gz WGUUSHMGTOYLRD-UHFFFAOYSA-N 0 0 330.522 4.321 50 0 EIAARN c1csc(-c2nnc(CSc3nnc(-c4ccccc4)o3)o2)c1 ZINC000003345736 210014871 /nfs/dbraw/zinc/01/48/71/210014871.db2.gz ZWAWNSXXJMGMSK-UHFFFAOYSA-N 0 0 342.405 4.140 50 0 EIAARN Cc1ccsc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2ncnn21 ZINC000102794252 219231441 /nfs/dbraw/zinc/23/14/41/219231441.db2.gz POSUJGRMEKCMJR-AWEZNQCLSA-N 0 0 328.828 4.357 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000003343556 210013685 /nfs/dbraw/zinc/01/36/85/210013685.db2.gz LZQLSMCQWAZKCW-UHFFFAOYSA-N 0 0 346.452 4.051 50 0 EIAARN CCc1cccc(C)c1NC(=O)CCc1ccc(OC)c(OC)c1 ZINC000003326546 210008073 /nfs/dbraw/zinc/00/80/73/210008073.db2.gz MSHPAHVJXONFKW-UHFFFAOYSA-N 0 0 327.424 4.146 50 0 EIAARN O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000003324839 210007123 /nfs/dbraw/zinc/00/71/23/210007123.db2.gz FMVGKMQIJIVCBZ-UHFFFAOYSA-N 0 0 341.238 4.138 50 0 EIAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000003325279 210006721 /nfs/dbraw/zinc/00/67/21/210006721.db2.gz FVTGSCIREAFTPZ-UHFFFAOYSA-N 0 0 336.363 4.212 50 0 EIAARN CCCCN(C(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1 ZINC000003339573 210012337 /nfs/dbraw/zinc/01/23/37/210012337.db2.gz BMMCAVGWGVEISR-UHFFFAOYSA-N 0 0 340.448 4.178 50 0 EIAARN Cc1cc(C)c(C(=O)COC(=O)c2ccc3ccccc3n2)c(C)c1 ZINC000003329940 210009848 /nfs/dbraw/zinc/00/98/48/210009848.db2.gz YCKHMDRFWVJTBK-UHFFFAOYSA-N 0 0 333.387 4.200 50 0 EIAARN O=C(COC(=O)c1cccc(F)c1)c1ccc2c(c1)-c1ccccc1C2 ZINC000003322663 210006460 /nfs/dbraw/zinc/00/64/60/210006460.db2.gz QJXOEIIDHPZSJB-UHFFFAOYSA-N 0 0 346.357 4.437 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)oc2C)cc1 ZINC000003319914 210005295 /nfs/dbraw/zinc/00/52/95/210005295.db2.gz GWFJZCRKBCPZEQ-GFCCVEGCSA-N 0 0 329.396 4.205 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 ZINC000003296361 210000144 /nfs/dbraw/zinc/00/01/44/210000144.db2.gz OGWJKVJENAKUSY-GFCCVEGCSA-N 0 0 347.361 4.274 50 0 EIAARN CC(=O)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067540235 215159981 /nfs/dbraw/zinc/15/99/81/215159981.db2.gz ZBEVHFVCOLLPHE-UHFFFAOYSA-N 0 0 339.416 4.015 50 0 EIAARN COCc1nn2c(nccc2-c2ccco2)c1-c1ccc(Cl)cc1 ZINC000067630573 215170358 /nfs/dbraw/zinc/17/03/58/215170358.db2.gz LZOIIDKCJXGFNP-UHFFFAOYSA-N 0 0 339.782 4.456 50 0 EIAARN COC(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000003123736 209966492 /nfs/dbraw/zinc/96/64/92/209966492.db2.gz GYGVHYZZDBBMLN-UHFFFAOYSA-N 0 0 332.355 4.497 50 0 EIAARN CCOC(=O)c1n[nH]cc1-c1c(-c2ccccc2)ncn1C1CC=CC1 ZINC000067674862 215180372 /nfs/dbraw/zinc/18/03/72/215180372.db2.gz IYOVBWLCBBPLID-UHFFFAOYSA-N 0 0 348.406 4.008 50 0 EIAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2nccs2)cc1 ZINC000042652196 213522927 /nfs/dbraw/zinc/52/29/27/213522927.db2.gz IDSYYCBOJBMACL-OAHLLOKOSA-N 0 0 331.441 4.301 50 0 EIAARN CCC1(CC)C[C@H]1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067691499 215185356 /nfs/dbraw/zinc/18/53/56/215185356.db2.gz WBDFUQYQUKVSCH-INIZCTEOSA-N 0 0 342.414 4.192 50 0 EIAARN Cc1n[nH]c(C)c1CCn1cnc(-c2ccccc2)c1-c1cccnc1 ZINC000067726672 215196942 /nfs/dbraw/zinc/19/69/42/215196942.db2.gz UVIGKVYPBVITJF-UHFFFAOYSA-N 0 0 343.434 4.195 50 0 EIAARN Cc1nn(C2CCCCC2)c2c1[C@H](c1nc3ccccc3[nH]1)CC(=O)N2 ZINC000067784778 215210723 /nfs/dbraw/zinc/21/07/23/215210723.db2.gz GLWITHBDHRRFBO-CQSZACIVSA-N 0 0 349.438 4.047 50 0 EIAARN Cc1cccc(NC(=O)Nc2nnc(N3CCCC[C@H]3C)s2)c1C ZINC000002908378 209940554 /nfs/dbraw/zinc/94/05/54/209940554.db2.gz LGLMOVQQMWANRM-GFCCVEGCSA-N 0 0 345.472 4.178 50 0 aggregator EIAARN Cc1cc(C)cc(NC(=O)Nc2nnc(N3CCCC[C@H]3C)s2)c1 ZINC000002908363 209940500 /nfs/dbraw/zinc/94/05/00/209940500.db2.gz GBTYDKGCXZDHIQ-CYBMUJFWSA-N 0 0 345.472 4.178 50 0 EIAARN COc1ccc(Cl)cc1-c1nc2c[nH]n(Cc3cccs3)c-2n1 ZINC000067819163 215221296 /nfs/dbraw/zinc/22/12/96/215221296.db2.gz YNRMTRSOJFFHJI-UHFFFAOYSA-N 0 0 344.827 4.198 50 0 EIAARN Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCCc2ccncc2)n1 ZINC000067834217 215223886 /nfs/dbraw/zinc/22/38/86/215223886.db2.gz YEBQKNHUFOFZMK-UHFFFAOYSA-N 0 0 343.434 4.276 50 0 EIAARN Cc1ccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)cc1 ZINC000002879202 209935156 /nfs/dbraw/zinc/93/51/56/209935156.db2.gz UBNVTEWLFRLMNU-UHFFFAOYSA-N 0 0 341.436 4.157 50 0 EIAARN O=C(Nc1ccccc1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000002864004 209930726 /nfs/dbraw/zinc/93/07/26/209930726.db2.gz VVOGBNCJNXZGND-UHFFFAOYSA-N 0 0 340.382 4.428 50 0 EIAARN COc1ccc(-c2ccc(C(=O)Nc3ccccc3F)o2)c(OC)c1 ZINC000067868338 215234743 /nfs/dbraw/zinc/23/47/43/215234743.db2.gz JULTYTBELLWMMW-UHFFFAOYSA-N 0 0 341.338 4.355 50 0 EIAARN CN(Cc1ccc([C@@H]2CCCO2)s1)Cc1nc2ccccc2n1C ZINC000067920572 215250588 /nfs/dbraw/zinc/25/05/88/215250588.db2.gz YPXNLOZDOGHWKE-KRWDZBQOSA-N 0 0 341.480 4.118 50 0 EIAARN Cc1cccc2c1N[C@@H](c1csc(-c3ccsc3)n1)NC2=O ZINC000067963504 215261044 /nfs/dbraw/zinc/26/10/44/215261044.db2.gz JXDSVBJRHKGUMK-CQSZACIVSA-N 0 0 327.434 4.034 50 0 EIAARN CCc1c(C)sc2ncn3nc([C@@H]4C[C@H]4c4ccccc4)nc3c12 ZINC000002805480 209918897 /nfs/dbraw/zinc/91/88/97/209918897.db2.gz WPZNERJASZDRAG-LSDHHAIUSA-N 0 0 334.448 4.481 50 0 EIAARN CCCCN(Cc1ccccc1F)C(=O)Cc1nc2ccccc2[nH]1 ZINC000067983142 215266346 /nfs/dbraw/zinc/26/63/46/215266346.db2.gz IDWPHNPNRIPSOG-UHFFFAOYSA-N 0 0 339.414 4.073 50 0 EIAARN Cc1c(Cl)c(C(=O)N(C2CCCCC2)C2CCCCC2)nn1C ZINC000002778058 209909256 /nfs/dbraw/zinc/90/92/56/209909256.db2.gz YTGBPKPFKVKDBO-UHFFFAOYSA-N 0 0 337.895 4.490 50 0 EIAARN Cc1cccc(NC(=O)CSc2nccn2-c2cccc(C)c2)c1 ZINC000002723018 209895869 /nfs/dbraw/zinc/89/58/69/209895869.db2.gz PYGAGBXQUYOYTJ-UHFFFAOYSA-N 0 0 337.448 4.220 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000002659018 209886994 /nfs/dbraw/zinc/88/69/94/209886994.db2.gz KGOCHAUTCBKGRZ-UHFFFAOYSA-N 0 0 337.297 4.053 50 0 EIAARN C[C@H](O)c1cccc(Nc2nc3ccccc3c(N3CCCC3)n2)c1 ZINC000041148150 213425821 /nfs/dbraw/zinc/42/58/21/213425821.db2.gz DLKUCXDHTSIPEX-AWEZNQCLSA-N 0 0 334.423 4.027 50 0 EIAARN NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000002559838 209867567 /nfs/dbraw/zinc/86/75/67/209867567.db2.gz ZPTXFEWSANANEN-IBGZPJMESA-N 0 0 349.817 4.188 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000002512689 209859940 /nfs/dbraw/zinc/85/99/40/209859940.db2.gz JXNGPXDPXIMAJF-UHFFFAOYSA-N 0 0 337.419 4.314 50 0 EIAARN Cc1cc(C(=O)N[C@H]2CCOc3ccc(F)cc32)c(C)n1C(C)C ZINC000068481476 215311706 /nfs/dbraw/zinc/31/17/06/215311706.db2.gz HLLGHAUFKKTRKN-KRWDZBQOSA-N 0 0 330.403 4.079 50 0 EIAARN C=CC(=O)Oc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1 ZINC000002218976 209832694 /nfs/dbraw/zinc/83/26/94/209832694.db2.gz ICITWMHLOOTUIT-UHFFFAOYSA-N 0 0 340.375 4.176 50 0 EIAARN C[C@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2ccccc2)C1 ZINC000069327105 215378784 /nfs/dbraw/zinc/37/87/84/215378784.db2.gz WHBXSBHMXCHYER-ZBFHGGJFSA-N 0 0 328.843 4.157 50 0 EIAARN CCCCc1nnc(NC(=O)COc2ccc(C(C)C)c(C)c2)s1 ZINC000001916459 209805849 /nfs/dbraw/zinc/80/58/49/209805849.db2.gz WKJZQRIMLLCLGX-UHFFFAOYSA-N 0 0 347.484 4.330 50 0 EIAARN CC(C)(C)c1cc(NC(=O)CNc2ccc3c4c(cccc42)CC3)on1 ZINC000069371642 215391445 /nfs/dbraw/zinc/39/14/45/215391445.db2.gz WXEGILLGADYWIX-UHFFFAOYSA-N 0 0 349.434 4.275 50 0 EIAARN CC(C)(C)c1cnc(CN2CCC(C(=O)c3ccccc3)CC2)o1 ZINC000069375331 215392203 /nfs/dbraw/zinc/39/22/03/215392203.db2.gz BKIOADUYVUIKDC-UHFFFAOYSA-N 0 0 326.440 4.067 50 0 EIAARN c1cc(-c2noc(CNC(c3ccccc3)c3ccccc3)n2)co1 ZINC000069387890 215397840 /nfs/dbraw/zinc/39/78/40/215397840.db2.gz ODTUMNPQNVOODZ-UHFFFAOYSA-N 0 0 331.375 4.209 50 0 EIAARN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N(Cc1ccccn1)C1CC1 ZINC000069385291 215396918 /nfs/dbraw/zinc/39/69/18/215396918.db2.gz OZXYACYRGHBROK-ZWKOTPCHSA-N 0 0 326.827 4.030 50 0 EIAARN Cc1cccc(CN(Cc2ccccn2)C(=O)[C@H]2C[C@@H]2c2ccco2)c1 ZINC000069415472 215403890 /nfs/dbraw/zinc/40/38/90/215403890.db2.gz UOPURNNMQRNHLG-PMACEKPBSA-N 0 0 346.430 4.316 50 0 EIAARN CCCOc1cccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)c1 ZINC000001844613 209798785 /nfs/dbraw/zinc/79/87/85/209798785.db2.gz KLBBAHHQIZLKTJ-UHFFFAOYSA-N 0 0 342.464 4.219 50 0 EIAARN CCCCn1c2ccccc2n2c1nc(-c1ccc(F)cc1)cc2=O ZINC000040484779 213314881 /nfs/dbraw/zinc/31/48/81/213314881.db2.gz HQEVAAQTYJNLLP-UHFFFAOYSA-N 0 0 335.382 4.255 50 0 EIAARN COc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 ZINC000040478260 213314279 /nfs/dbraw/zinc/31/42/79/213314279.db2.gz BZKYBGZXVQCEPQ-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN O=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478383 213314678 /nfs/dbraw/zinc/31/46/78/213314678.db2.gz CNCDQYVEXJBYQL-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN CCN(CC)c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000001779482 209793158 /nfs/dbraw/zinc/79/31/58/209793158.db2.gz RJLKDFDJFCJJDJ-UHFFFAOYSA-N 0 0 326.440 4.331 50 0 EIAARN COc1ccc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cc1 ZINC000040460669 213306444 /nfs/dbraw/zinc/30/64/44/213306444.db2.gz NXCRAYXPFLFGND-GOSISDBHSA-N 0 0 335.407 4.082 50 0 EIAARN Cc1cccc2c1ccn2CCC(=O)Nc1nnc(CC(C)C)s1 ZINC000040285824 213288102 /nfs/dbraw/zinc/28/81/02/213288102.db2.gz ISBIEVNJUBMTGT-UHFFFAOYSA-N 0 0 342.468 4.029 50 0 EIAARN O=C(Nc1ccnn1C1CCCC1)c1ccc(Br)s1 ZINC000040160009 213277104 /nfs/dbraw/zinc/27/71/04/213277104.db2.gz JWZCWIUEGAWPGT-UHFFFAOYSA-N 0 0 340.246 4.075 50 0 EIAARN C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1nc2ccccc2[nH]1 ZINC000040157419 213275823 /nfs/dbraw/zinc/27/58/23/213275823.db2.gz LXSLHFZUWRYVKL-LBPRGKRZSA-N 0 0 349.365 4.453 50 0 EIAARN CCn1cc(C(=O)N[C@@H](C)c2sc(C)nc2C)c2ccccc21 ZINC000040157757 213275558 /nfs/dbraw/zinc/27/55/58/213275558.db2.gz RFTWPBLSWYGCNC-LBPRGKRZSA-N 0 0 327.453 4.226 50 0 EIAARN COc1ccc(OCCSc2nnc(C3CCCCC3)o2)cc1 ZINC000040159055 213275601 /nfs/dbraw/zinc/27/56/01/213275601.db2.gz SNUZEXFRQDTVQP-UHFFFAOYSA-N 0 0 334.441 4.297 50 0 EIAARN CC(C)c1noc(CCCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n1 ZINC000040131645 213270277 /nfs/dbraw/zinc/27/02/77/213270277.db2.gz QEVQQUDAJDFMKW-GOSISDBHSA-N 0 0 347.434 4.168 50 0 EIAARN CC1=NN(c2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)CC1 ZINC000040130903 213269726 /nfs/dbraw/zinc/26/97/26/213269726.db2.gz ZXFQHJUZYAOBDR-UHFFFAOYSA-N 0 0 330.391 4.073 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccsc1 ZINC000040138986 213271381 /nfs/dbraw/zinc/27/13/81/213271381.db2.gz XGEDHRDVIQFTIB-JKSUJKDBSA-N 0 0 328.437 4.118 50 0 EIAARN O=C(c1ccc(Br)s1)N1CCCCc2ccccc21 ZINC000040133939 213270994 /nfs/dbraw/zinc/27/09/94/213270994.db2.gz GPZLVMOQYDEASR-UHFFFAOYSA-N 0 0 336.254 4.494 50 0 EIAARN Cc1cnc(NC(=O)CCOc2cccc(Cl)c2Cl)s1 ZINC000040140523 213270788 /nfs/dbraw/zinc/27/07/88/213270788.db2.gz PHDLWQXDKPZHGS-UHFFFAOYSA-N 0 0 331.224 4.166 50 0 EIAARN Cc1cc(O[C@H](C)C(=O)Nc2nnc(C3CC3)s2)ccc1C(C)C ZINC000040140350 213270593 /nfs/dbraw/zinc/27/05/93/213270593.db2.gz ACHDYDULHVUUKS-GFCCVEGCSA-N 0 0 345.468 4.253 50 0 EIAARN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccco1 ZINC000040110727 213267462 /nfs/dbraw/zinc/26/74/62/213267462.db2.gz ZAJPFEBSKGMZGL-UHFFFAOYSA-N 0 0 330.359 4.190 50 0 EIAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(N(C)C)cc1C ZINC000040111602 213267267 /nfs/dbraw/zinc/26/72/67/213267267.db2.gz KPWWOXBQFUCADJ-UHFFFAOYSA-N 0 0 341.436 4.338 50 0 EIAARN O=C(Nc1ccccc1Sc1nncs1)[C@@H]1C[C@@H]1c1ccco1 ZINC000069566779 215476250 /nfs/dbraw/zinc/47/62/50/215476250.db2.gz LXOZGHUUDWWWJU-WDEREUQCSA-N 0 0 343.433 4.025 50 0 EIAARN CC(C)[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1nccn1C ZINC000040114426 213268993 /nfs/dbraw/zinc/26/89/93/213268993.db2.gz XBKAQVVHCJKUIH-KRWDZBQOSA-N 0 0 345.512 4.268 50 0 EIAARN CCCCN(CCCC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000040104802 213264610 /nfs/dbraw/zinc/26/46/10/213264610.db2.gz RRYZWELTRWKBPK-UHFFFAOYSA-N 0 0 345.487 4.357 50 0 EIAARN COc1ccccc1NC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000040095290 213263999 /nfs/dbraw/zinc/26/39/99/213263999.db2.gz RDNVGQLQOWAONV-UHFFFAOYSA-N 0 0 342.292 4.175 50 0 EIAARN CC(C)c1nc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2o1 ZINC000040081676 213258652 /nfs/dbraw/zinc/25/86/52/213258652.db2.gz QPNUMFGPUNSKFC-UHFFFAOYSA-N 0 0 348.358 4.310 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)Nc3ccc4ccccc4n3)cs2)o1 ZINC000040073749 213258333 /nfs/dbraw/zinc/25/83/33/213258333.db2.gz AAPYVLCNAPRZHC-UHFFFAOYSA-N 0 0 349.415 4.441 50 0 EIAARN O=C(NCC(F)(F)F)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000040062207 213256177 /nfs/dbraw/zinc/25/61/77/213256177.db2.gz VVUIEJHCCXJBGX-WDEREUQCSA-N 0 0 340.370 4.025 50 0 EIAARN CC(C)c1ccc(CCNC(=O)Cc2cccc3cccnc32)cc1 ZINC000040034492 213252202 /nfs/dbraw/zinc/25/22/02/213252202.db2.gz YZHHDAKVTZMXPJ-UHFFFAOYSA-N 0 0 332.447 4.260 50 0 EIAARN COc1cc(NC(=O)N[C@H](c2cccs2)C(C)C)cc(OC)c1 ZINC000040024000 213251856 /nfs/dbraw/zinc/25/18/56/213251856.db2.gz ZQGJDWLFWRWVME-INIZCTEOSA-N 0 0 334.441 4.284 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)NCCc1ccccc1F ZINC000040016145 213251639 /nfs/dbraw/zinc/25/16/39/213251639.db2.gz ZUSVSNDQIWRVER-UHFFFAOYSA-N 0 0 338.785 4.002 50 0 EIAARN COc1ccc(OC)c(NC(=O)N[C@H](c2cccs2)C(C)C)c1 ZINC000040024002 213251739 /nfs/dbraw/zinc/25/17/39/213251739.db2.gz CCNDWSXJYYLFQS-INIZCTEOSA-N 0 0 334.441 4.284 50 0 EIAARN COc1cc(NC(=O)N[C@@H](C)c2cccs2)c(OC)cc1Cl ZINC000040023910 213251278 /nfs/dbraw/zinc/25/12/78/213251278.db2.gz CDSPDRUVKBAUDM-VIFPVBQESA-N 0 0 340.832 4.301 50 0 EIAARN CCC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000039975792 213247889 /nfs/dbraw/zinc/24/78/89/213247889.db2.gz UVOMUXWMUUXPKV-KSEUIEODSA-N 0 0 337.419 4.129 50 0 EIAARN CCOc1ccc(CN(CC)C(=O)c2sccc2C)cc1OC ZINC000039975999 213247927 /nfs/dbraw/zinc/24/79/27/213247927.db2.gz ZETIVUGEXSMGJN-UHFFFAOYSA-N 0 0 333.453 4.126 50 0 EIAARN Cc1nc(CSc2nnc(-c3ccco3)n2CC(C)C)cs1 ZINC000039964466 213247480 /nfs/dbraw/zinc/24/74/80/213247480.db2.gz JFPCBDLXQRUXPM-UHFFFAOYSA-N 0 0 334.470 4.251 50 0 EIAARN Cc1oc(-c2ccco2)nc1COc1cccc(Oc2ncccn2)c1 ZINC000069618833 215500986 /nfs/dbraw/zinc/50/09/86/215500986.db2.gz NJBPJBMZFBUSGO-UHFFFAOYSA-N 0 0 349.346 4.404 50 0 EIAARN O=C(COc1ccc(-c2ccccc2)cc1)N1CCc2ccccc2C1 ZINC000001459175 209750330 /nfs/dbraw/zinc/75/03/30/209750330.db2.gz RRFIQQWGKPAUPR-UHFFFAOYSA-N 0 0 343.426 4.317 50 0 EIAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(F)c2)n1 ZINC000001425850 209746367 /nfs/dbraw/zinc/74/63/67/209746367.db2.gz INBDJRYNKKTEHU-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN Cc1nc2c(sc(=S)n2Cc2ccccc2)c(N2CCCC2)n1 ZINC000001428956 209747472 /nfs/dbraw/zinc/74/74/72/209747472.db2.gz OCJNHUQLDHDBQX-UHFFFAOYSA-N 0 0 342.493 4.179 50 0 EIAARN Clc1cccc(Cn2nnnc2-c2cc(Cl)cc(Cl)c2)c1 ZINC000001405263 209741435 /nfs/dbraw/zinc/74/14/35/209741435.db2.gz IFWCHIZTKIVEQN-UHFFFAOYSA-N 0 0 339.613 4.349 50 0 EIAARN CCOc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1 ZINC000001382985 209732148 /nfs/dbraw/zinc/73/21/48/209732148.db2.gz SVMUHZVCLBGYTA-DHZHZOJOSA-N 0 0 334.419 4.277 50 0 EIAARN COc1cccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1OC ZINC000000818101 209690935 /nfs/dbraw/zinc/69/09/35/209690935.db2.gz DQRURWSPDDZBMW-HXUWFJFHSA-N 0 0 335.407 4.157 50 0 EIAARN COc1ccc([C@H]2CCN(C(=O)c3ccccc3SC)C2)cc1 ZINC000038566548 213215096 /nfs/dbraw/zinc/21/50/96/213215096.db2.gz UXTBZZSUQPOLMF-HNNXBMFYSA-N 0 0 327.449 4.047 50 0 EIAARN CCOC(=O)c1ccccc1NC(=S)NCc1ccc(Cl)cc1 ZINC000000609868 209674570 /nfs/dbraw/zinc/67/45/70/209674570.db2.gz ZZHCJFFQMMGEKW-UHFFFAOYSA-N 0 0 348.855 4.003 50 0 EIAARN COc1ccc([C@@H]2CCN(C(=O)NCc3ccc(Cl)cc3)C2)cc1 ZINC000038489527 213211427 /nfs/dbraw/zinc/21/14/27/213211427.db2.gz QKJNDRWASFLFKW-MRXNPFEDSA-N 0 0 344.842 4.048 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)NCC1(c2ccc(F)cc2)CC1 ZINC000038489671 213210830 /nfs/dbraw/zinc/21/08/30/213210830.db2.gz DETVAJRDVZGFLX-UHFFFAOYSA-N 0 0 332.806 4.010 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)c4ccccc43)c2)cs1 ZINC000038488483 213209967 /nfs/dbraw/zinc/20/99/67/213209967.db2.gz NYOOLHUEGDCGSH-KRWDZBQOSA-N 0 0 348.427 4.427 50 0 EIAARN CCSc1nccn2nc(-c3ccc(Br)cc3)cc12 ZINC000038486445 213210105 /nfs/dbraw/zinc/21/01/05/213210105.db2.gz TXYBSWFKUHHALO-UHFFFAOYSA-N 0 0 334.242 4.271 50 0 EIAARN C[C@H](c1cc2ccccc2o1)[N@H+](C)CCOc1ccccc1C(=O)[O-] ZINC000183913233 235260310 /nfs/dbraw/zinc/26/03/10/235260310.db2.gz FHKKVACZVMIPHX-CQSZACIVSA-N 0 0 339.391 4.203 50 0 EIAARN Fc1ccc(NC(=S)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000000535457 209653933 /nfs/dbraw/zinc/65/39/33/209653933.db2.gz FAXQEUBNBWDDQX-UHFFFAOYSA-N 0 0 325.412 4.062 50 0 EIAARN COc1ccc(-c2nn3c(nnc3-c3ccc(Cl)cc3)s2)cc1 ZINC000000520655 209645405 /nfs/dbraw/zinc/64/54/05/209645405.db2.gz ZGZKXTZIQYIDDR-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN Cc1noc(C)c1CCC(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000069741986 215561051 /nfs/dbraw/zinc/56/10/51/215561051.db2.gz ZRLFHGCSLTUVLV-UHFFFAOYSA-N 0 0 337.379 4.050 50 0 EIAARN Cc1noc(C)c1CNc1c(N2CCCC2)cccc1N1CCCC1 ZINC000069744614 215565940 /nfs/dbraw/zinc/56/59/40/215565940.db2.gz SWWPLYRMROXTBX-UHFFFAOYSA-N 0 0 340.471 4.104 50 0 EIAARN CCc1nc2sc3c(ncnc3Cl)c2c2c1COC(C)(C)C2 ZINC000000501167 209636212 /nfs/dbraw/zinc/63/62/12/209636212.db2.gz LUWCXNZDVRYJGG-UHFFFAOYSA-N 0 0 333.844 4.307 50 0 EIAARN CCNC(=O)c1cc2sc(C)cc2n1Cc1cccc(Cl)c1 ZINC000037541389 213154332 /nfs/dbraw/zinc/15/43/32/213154332.db2.gz QEIYUYPJELHILK-UHFFFAOYSA-N 0 0 332.856 4.463 50 0 EIAARN COc1cccc(COc2cc3oc(=O)cc(C)c3cc2Cl)c1 ZINC000000488981 209632386 /nfs/dbraw/zinc/63/23/86/209632386.db2.gz KPLYHMNELPBEKM-UHFFFAOYSA-N 0 0 330.767 4.342 50 0 biogenic EIAARN Cc1cc2c(cc(C(=O)NCC(C)C)n2Cc2ccccc2)s1 ZINC000037526073 213154037 /nfs/dbraw/zinc/15/40/37/213154037.db2.gz OQLDFNHHVPCMCE-UHFFFAOYSA-N 0 0 326.465 4.445 50 0 EIAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000480426 209628091 /nfs/dbraw/zinc/62/80/91/209628091.db2.gz VKXQGDSPGLPANX-UHFFFAOYSA-N 0 0 334.778 4.470 50 0 EIAARN CN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)[C@@H]1CCc2ccccc21 ZINC000037151479 213133943 /nfs/dbraw/zinc/13/39/43/213133943.db2.gz ATRVTFWJOWSDRT-OAQYLSRUSA-N 0 0 347.458 4.284 50 0 EIAARN O=C(COc1cccc(-c2ccccc2)c1)N1CCc2ccccc21 ZINC000000471261 209622013 /nfs/dbraw/zinc/62/20/13/209622013.db2.gz XSADINLSUYFDML-UHFFFAOYSA-N 0 0 329.399 4.322 50 0 EIAARN Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1C ZINC000036866442 213125138 /nfs/dbraw/zinc/12/51/38/213125138.db2.gz MPUBRYJCQQDHCV-SFHVURJKSA-N 0 0 338.451 4.018 50 0 EIAARN COc1ccc(CC(=O)Nc2ccc(Br)c(C)c2C)cc1 ZINC000000466990 209618783 /nfs/dbraw/zinc/61/87/83/209618783.db2.gz IHMMQIOFQPXUKU-UHFFFAOYSA-N 0 0 348.240 4.256 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000000464047 209616291 /nfs/dbraw/zinc/61/62/91/209616291.db2.gz UAAVEWIYVBPNGU-UHFFFAOYSA-N 0 0 346.814 4.095 50 0 EIAARN CSc1cccc2sc(NC(=O)c3sc(C)nc3C)nc21 ZINC000036704876 213110773 /nfs/dbraw/zinc/11/07/73/213110773.db2.gz SIHPODFEXOHSAL-UHFFFAOYSA-N 0 0 335.479 4.344 50 0 EIAARN Cc1cccc(-c2nnc([C@H](C)N3CCc4sccc4C3)o2)c1 ZINC000036692526 213109364 /nfs/dbraw/zinc/10/93/64/213109364.db2.gz CSVRVOQVRUFQDS-ZDUSSCGKSA-N 0 0 325.437 4.226 50 0 EIAARN COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000000452681 209609687 /nfs/dbraw/zinc/60/96/87/209609687.db2.gz GWVGROVLTTVHKF-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1cc(C(F)F)c2c(=O)[nH]c(=S)n([C@@H](C)c3ccccc3)c2n1 ZINC000036617209 213103187 /nfs/dbraw/zinc/10/31/87/213103187.db2.gz MNESXQZPOHIYCW-JTQLQIEISA-N 0 0 347.390 4.309 50 0 EIAARN COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccccc1C ZINC000036620770 213105215 /nfs/dbraw/zinc/10/52/15/213105215.db2.gz AMNKLXMYZAGIFX-OAHLLOKOSA-N 0 0 344.436 4.212 50 0 EIAARN COc1cc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc(OC)c1 ZINC000036620498 213105010 /nfs/dbraw/zinc/10/50/10/213105010.db2.gz CIMYFVMWMQREMV-LJQANCHMSA-N 0 0 340.423 4.381 50 0 EIAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1 ZINC000036621142 213105056 /nfs/dbraw/zinc/10/50/56/213105056.db2.gz XJDWDVZAVULJBR-LJQANCHMSA-N 0 0 329.465 4.083 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000036620495 213104688 /nfs/dbraw/zinc/10/46/88/213104688.db2.gz FSBYAUNUMKLGHL-LJQANCHMSA-N 0 0 327.399 4.131 50 0 EIAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000036620316 213104728 /nfs/dbraw/zinc/10/47/28/213104728.db2.gz KGOSHLLNYUTNHP-LJQANCHMSA-N 0 0 347.455 4.475 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)c(OC)c1 ZINC000036619748 213103701 /nfs/dbraw/zinc/10/37/01/213103701.db2.gz PPZBHYRFRXZQDL-SFHVURJKSA-N 0 0 340.423 4.381 50 0 EIAARN O=C(Nc1ccccc1)N1CCc2c3ccccc3n3c2[C@H]1CCC3=O ZINC000036559113 213099416 /nfs/dbraw/zinc/09/94/16/213099416.db2.gz PPMHYNFDZVOBFT-GOSISDBHSA-N 0 0 345.402 4.207 50 0 biogenic EIAARN CC[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000036563203 213100851 /nfs/dbraw/zinc/10/08/51/213100851.db2.gz HPQBCMJFIZDZEK-UXHICEINSA-N 0 0 339.435 4.126 50 0 EIAARN CC[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000036563197 213100699 /nfs/dbraw/zinc/10/06/99/213100699.db2.gz HPQBCMJFIZDZEK-PMACEKPBSA-N 0 0 339.435 4.126 50 0 EIAARN C[C@H](NC(=O)c1cc(F)cc(F)c1)c1cccc(OC(F)F)c1 ZINC000036395030 213097491 /nfs/dbraw/zinc/09/74/91/213097491.db2.gz RDZAQCUTEDPDDS-VIFPVBQESA-N 0 0 327.277 4.057 50 0 EIAARN COc1cccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccccc2F)c1 ZINC000036355104 213088605 /nfs/dbraw/zinc/08/86/05/213088605.db2.gz SAAIBULSDAXQDG-OAHLLOKOSA-N 0 0 337.354 4.144 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC[C@H](OCc2cccc(Cl)c2)C1 ZINC000036314821 213083325 /nfs/dbraw/zinc/08/33/25/213083325.db2.gz YICFHCQJWZKGNC-SFHVURJKSA-N 0 0 347.817 4.301 50 0 EIAARN CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(C(C)C)cc1 ZINC000036127390 213071695 /nfs/dbraw/zinc/07/16/95/213071695.db2.gz GXJRKEFKKLRLEN-NRFANRHFSA-N 0 0 337.463 4.300 50 0 EIAARN COCCn1ccc2c1cccc2NC(=O)c1cn(C)c2ccccc12 ZINC000070666584 215703155 /nfs/dbraw/zinc/70/31/55/215703155.db2.gz RYPKXYUBUSUIDM-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 biogenic EIAARN O=C(Nc1nnc(-c2ccc(Cl)s2)o1)Nc1ccccc1F ZINC000070655605 215702480 /nfs/dbraw/zinc/70/24/80/215702480.db2.gz NKOHYHWWHUSDPT-UHFFFAOYSA-N 0 0 338.751 4.235 50 0 EIAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000000442335 209601850 /nfs/dbraw/zinc/60/18/50/209601850.db2.gz JYXVFSFNRFVQGM-CYBMUJFWSA-N 0 0 333.815 4.371 50 0 EIAARN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N(C)CC(F)(F)F ZINC000187805025 236305034 /nfs/dbraw/zinc/30/50/34/236305034.db2.gz VMIKMMYIHGFIGF-UHFFFAOYSA-N 0 0 345.365 4.006 50 0 EIAARN CCCCCC(=O)Nc1nnc(SCCc2ccccc2)s1 ZINC000035924476 213051685 /nfs/dbraw/zinc/05/16/85/213051685.db2.gz UTFXPFURHQJGIX-UHFFFAOYSA-N 0 0 335.498 4.392 50 0 EIAARN CCCCNC(=O)c1cc2occc2n1CCCOc1ccccc1 ZINC000035838289 213050890 /nfs/dbraw/zinc/05/08/90/213050890.db2.gz OXBOWPFWJKDDDO-UHFFFAOYSA-N 0 0 340.423 4.233 50 0 EIAARN COc1cccc(NC(=O)c2ccc(-c3cccc(OC)c3)nc2)c1 ZINC000035891930 213052143 /nfs/dbraw/zinc/05/21/43/213052143.db2.gz OQUIOXVKZOZYBU-UHFFFAOYSA-N 0 0 334.375 4.018 50 0 EIAARN COc1ccccc1Nc1c(-c2ccc(O)cc2)nc2ccccn21 ZINC000035616007 213043039 /nfs/dbraw/zinc/04/30/39/213043039.db2.gz UDWVCWDVSYOJIG-UHFFFAOYSA-N 0 0 331.375 4.459 50 0 EIAARN Cc1cc(C)cc(Nc2c(-c3ccccc3O)nc3cnccn32)c1 ZINC000035616224 213042738 /nfs/dbraw/zinc/04/27/38/213042738.db2.gz CLFWZRDYTYXCTH-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN Cc1cc(C)cc(-n2ncc3c2ncnc3NCc2ccc(F)cc2)c1 ZINC000035681873 213045697 /nfs/dbraw/zinc/04/56/97/213045697.db2.gz IXMWQFRGMRHYLE-UHFFFAOYSA-N 0 0 347.397 4.184 50 0 EIAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000035671485 213045383 /nfs/dbraw/zinc/04/53/83/213045383.db2.gz ULQPHJHAQNADQG-NSHDSACASA-N 0 0 337.379 4.015 50 0 EIAARN CCc1nc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)no1 ZINC000035539600 213037781 /nfs/dbraw/zinc/03/77/81/213037781.db2.gz XWUSRXKPCKVALD-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN CCCNC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 ZINC000035481892 213032509 /nfs/dbraw/zinc/03/25/09/213032509.db2.gz CRCRKUXNPIZOMC-UHFFFAOYSA-N 0 0 340.358 4.074 50 0 EIAARN CC(C)(C)NC(=O)N1CCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000035516134 213035772 /nfs/dbraw/zinc/03/57/72/213035772.db2.gz TXIITESUEBXDKR-INIZCTEOSA-N 0 0 331.847 4.055 50 0 EIAARN CCOc1cc(CN2CCC[C@@H]2c2cc(C(C)C)no2)ccc1O ZINC000035511307 213035484 /nfs/dbraw/zinc/03/54/84/213035484.db2.gz HLXATXQOYKPJEZ-MRXNPFEDSA-N 0 0 330.428 4.239 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000035522244 213035570 /nfs/dbraw/zinc/03/55/70/213035570.db2.gz JSRWMIAFYBEZHN-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN CCCn1cnc2cc(-c3noc(-c4cccc(N(C)C)c4)n3)ccc21 ZINC000035453596 213029088 /nfs/dbraw/zinc/02/90/88/213029088.db2.gz GNMMURRWAGFVDS-UHFFFAOYSA-N 0 0 347.422 4.229 50 0 EIAARN CCn1cnc2cc(-c3noc(-c4cc5ccccc5[nH]4)n3)ccc21 ZINC000035453516 213028522 /nfs/dbraw/zinc/02/85/22/213028522.db2.gz GDYKABRMBHBGRO-UHFFFAOYSA-N 0 0 329.363 4.255 50 0 EIAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000035476418 213031666 /nfs/dbraw/zinc/03/16/66/213031666.db2.gz KFXXXFWTFYLYGN-LJQANCHMSA-N 0 0 329.465 4.138 50 0 EIAARN COc1ccccc1C(=O)N1CCn2cccc2[C@H]1c1ccc(C)cc1 ZINC000035418578 213026379 /nfs/dbraw/zinc/02/63/79/213026379.db2.gz VHTNQPXJQHQINZ-OAQYLSRUSA-N 0 0 346.430 4.051 50 0 EIAARN CC(C)CNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000071279534 215749486 /nfs/dbraw/zinc/74/94/86/215749486.db2.gz YLKNUFHUKRFMJE-CQSZACIVSA-N 0 0 344.282 4.277 50 0 EIAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1c[nH]nc1-c1ccc(F)cc1 ZINC000071280164 215750500 /nfs/dbraw/zinc/75/05/00/215750500.db2.gz UYZPBHLWXFBGKP-CYBMUJFWSA-N 0 0 339.374 4.117 50 0 EIAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccccc1OC(F)(F)F ZINC000071281070 215751211 /nfs/dbraw/zinc/75/12/11/215751211.db2.gz MIGBHVCOEMZACF-NSHDSACASA-N 0 0 339.317 4.486 50 0 EIAARN Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)CC(=O)N2 ZINC000035171162 213011714 /nfs/dbraw/zinc/01/17/14/213011714.db2.gz DYTXWIFTDXMVKG-GOSISDBHSA-N 0 0 347.418 4.080 50 0 EIAARN O=c1oc2ccc(Cl)cc2n1Cc1cccc(C(F)(F)F)c1 ZINC000071405106 215769227 /nfs/dbraw/zinc/76/92/27/215769227.db2.gz CDBCBCSJJISSJC-UHFFFAOYSA-N 0 0 327.689 4.315 50 0 EIAARN CC(C)c1nc(CNc2nccc(CCC(F)(F)F)n2)cs1 ZINC000071614164 215788729 /nfs/dbraw/zinc/78/87/29/215788729.db2.gz LASXKJXYFWZBFZ-UHFFFAOYSA-N 0 0 330.379 4.164 50 0 EIAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)Cc1cccs1 ZINC000034794205 212988044 /nfs/dbraw/zinc/98/80/44/212988044.db2.gz KQSXYQNRHMPMNO-UHFFFAOYSA-N 0 0 331.828 4.281 50 0 EIAARN O=C1CC[C@@]2(CCCO2)CCN1Cc1ccc(-c2ccccc2)cc1 ZINC000071776755 215825097 /nfs/dbraw/zinc/82/50/97/215825097.db2.gz UULWHVATWWMRKF-QFIPXVFZSA-N 0 0 335.447 4.415 50 0 EIAARN O=C(/C=C\c1ccccc1)OCC(=O)Nc1cccc2ccccc21 ZINC000033504613 212943652 /nfs/dbraw/zinc/94/36/52/212943652.db2.gz ORZKOMAMQNUBSL-YPKPFQOOSA-N 0 0 331.371 4.035 50 0 EIAARN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3ccc(F)cc3F)c2C1 ZINC000000426630 209590547 /nfs/dbraw/zinc/59/05/47/209590547.db2.gz FTTRARDKZPWKFX-JTQLQIEISA-N 0 0 334.366 4.356 50 0 EIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)on1 ZINC000033269979 212913499 /nfs/dbraw/zinc/91/34/99/212913499.db2.gz HQBACURLLNGQCO-AWEZNQCLSA-N 0 0 341.367 4.023 50 0 EIAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)NC(C)C)c3)nn2)c1 ZINC000033257942 212911911 /nfs/dbraw/zinc/91/19/11/212911911.db2.gz OCVCREGQSINJBP-UHFFFAOYSA-N 0 0 346.434 4.334 50 0 EIAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NC4CC4)cc3)ncn2)c1 ZINC000033261136 212911604 /nfs/dbraw/zinc/91/16/04/212911604.db2.gz NWZVCGXKTVNRKM-UHFFFAOYSA-N 0 0 344.418 4.088 50 0 EIAARN O=C1CS[C@@H](c2ccc(F)c(F)c2)N1c1cccc(Cl)c1 ZINC000000423881 209587171 /nfs/dbraw/zinc/58/71/71/209587171.db2.gz VFDREKUEPZNXFL-HNNXBMFYSA-N 0 0 325.767 4.397 50 0 EIAARN O=C(c1cc(F)c(Cl)cc1Cl)N1CCOc2ccccc21 ZINC000033168044 212902939 /nfs/dbraw/zinc/90/29/39/212902939.db2.gz VRUZPCPQIFXGJX-UHFFFAOYSA-N 0 0 326.154 4.172 50 0 EIAARN Nc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccccc1F ZINC000033251752 212909749 /nfs/dbraw/zinc/90/97/49/212909749.db2.gz NBKNHAOKMFEBQT-UHFFFAOYSA-N 0 0 347.802 4.492 50 0 EIAARN C[C@H]1CN(CC(=O)NC2CCCCCCC2)c2ccccc2S1 ZINC000033059188 212893576 /nfs/dbraw/zinc/89/35/76/212893576.db2.gz PBNLYJALKRJUHI-HNNXBMFYSA-N 0 0 332.513 4.216 50 0 EIAARN CCOc1ccc(CNC(=O)c2ncoc2-c2ccc(C)s2)cc1 ZINC000033049168 212892712 /nfs/dbraw/zinc/89/27/12/212892712.db2.gz KQRGTNOVEAIASC-UHFFFAOYSA-N 0 0 342.420 4.040 50 0 EIAARN Cc1ccc(NC(=O)Nc2cc(F)c3[nH]c(=O)ccc3c2)cc1Cl ZINC000033127137 212900701 /nfs/dbraw/zinc/90/07/01/212900701.db2.gz ODEMTBBVDXVYGY-UHFFFAOYSA-N 0 0 345.761 4.273 50 0 EIAARN O=C(CSc1nc2ccccc2o1)Nc1cccc2c1CCCC2 ZINC000032958600 212880573 /nfs/dbraw/zinc/88/05/73/212880573.db2.gz XREIZPGVBFUZMW-UHFFFAOYSA-N 0 0 338.432 4.437 50 0 EIAARN CC(=O)Nc1nc2cc(NC(=O)c3ccccc3Cl)ccc2s1 ZINC000033020108 212889216 /nfs/dbraw/zinc/88/92/16/212889216.db2.gz ZJZMREQTXMJSKP-UHFFFAOYSA-N 0 0 345.811 4.160 50 0 EIAARN Nc1nc(Nc2cccc(F)c2)sc1C(=O)c1ccccc1Cl ZINC000032947878 212879721 /nfs/dbraw/zinc/87/97/21/212879721.db2.gz AZTREMOHXPRXBO-UHFFFAOYSA-N 0 0 347.802 4.492 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)on1 ZINC000032932473 212877532 /nfs/dbraw/zinc/87/75/32/212877532.db2.gz WKRDWRGVYONYHM-CYBMUJFWSA-N 0 0 325.195 4.267 50 0 EIAARN O=C1OCCN1CCc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000032927810 212874957 /nfs/dbraw/zinc/87/49/57/212874957.db2.gz PTAIMYGTQBKKAE-UHFFFAOYSA-N 0 0 343.235 4.112 50 0 EIAARN Cc1ccc(OCc2ccc(C(=O)N(C)Cc3ccccc3)o2)cc1 ZINC000032908238 212868427 /nfs/dbraw/zinc/86/84/27/212868427.db2.gz MNPQJEOELPJGNN-UHFFFAOYSA-N 0 0 335.403 4.439 50 0 EIAARN CSc1ccsc1C(=O)NC1(c2nc(C)cs2)CCCC1 ZINC000071902966 215945181 /nfs/dbraw/zinc/94/51/81/215945181.db2.gz JNGHEPLIALNBCH-UHFFFAOYSA-N 0 0 338.523 4.434 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)Nc3cnc4ccccc4c3)cs2)o1 ZINC000032816493 212849431 /nfs/dbraw/zinc/84/94/31/212849431.db2.gz CRVIEARATJZLPF-UHFFFAOYSA-N 0 0 349.415 4.441 50 0 EIAARN CN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000032802917 212845411 /nfs/dbraw/zinc/84/54/11/212845411.db2.gz CRKRTCGKYSQMRO-TZMCWYRMSA-N 0 0 332.341 4.088 50 0 EIAARN CC[C@H](N[C@@H](C(=O)OC)c1ccccc1Cl)c1nc(C)cs1 ZINC000071910802 215954907 /nfs/dbraw/zinc/95/49/07/215954907.db2.gz VVFFZJJRJPOFBX-UONOGXRCSA-N 0 0 338.860 4.060 50 0 EIAARN Cc1ccccc1[C@@H](C)NC(=O)CSC[C@H]1CC1(Cl)Cl ZINC000032772162 212839246 /nfs/dbraw/zinc/83/92/46/212839246.db2.gz IGFGJRVPZFWPEH-VXGBXAGGSA-N 0 0 332.296 4.099 50 0 EIAARN Cc1ccc(Cn2ncc3c2nc(C(F)(F)F)cc3C(F)(F)F)o1 ZINC000032739789 212831744 /nfs/dbraw/zinc/83/17/44/212831744.db2.gz VPTFQUGZWKVDTN-UHFFFAOYSA-N 0 0 349.234 4.419 50 0 EIAARN Cc1nc2cc(NC(=O)CCSCc3csc(C)n3)ccc2o1 ZINC000032451749 212803130 /nfs/dbraw/zinc/80/31/30/212803130.db2.gz BMLZPPBUIIAXDG-UHFFFAOYSA-N 0 0 347.465 4.163 50 0 EIAARN COc1ccccc1OC1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000072126584 216017742 /nfs/dbraw/zinc/01/77/42/216017742.db2.gz HVANPPUCNNNXAO-UHFFFAOYSA-N 0 0 347.842 4.098 50 0 EIAARN OCc1ccc(-c2ccc(-c3nc(-c4ccccc4F)no3)cn2)cc1 ZINC000072142151 216027632 /nfs/dbraw/zinc/02/76/32/216027632.db2.gz NZUADOMDGJQPHL-UHFFFAOYSA-N 0 0 347.349 4.097 50 0 EIAARN CC(C)c1noc([C@@H](C)Nc2cc(-c3ccccc3)nc3ccnn32)n1 ZINC000072139108 216025765 /nfs/dbraw/zinc/02/57/65/216025765.db2.gz NMZJHJLNJAAZJB-CYBMUJFWSA-N 0 0 348.410 4.076 50 0 EIAARN Cc1cc(N2CCC[C@@]3(C2)c2ccccc2NC3=O)nc2ccccc12 ZINC000072143318 216029024 /nfs/dbraw/zinc/02/90/24/216029024.db2.gz NLPHWDXHQGZTAO-JOCHJYFZSA-N 0 0 343.430 4.034 50 0 EIAARN c1cc2nc(-c3ccccc3)cc(NCc3ccc4[nH]ccc4c3)n2n1 ZINC000072162053 216050819 /nfs/dbraw/zinc/05/08/19/216050819.db2.gz DEVHZXSYGYAKIV-UHFFFAOYSA-N 0 0 339.402 4.490 50 0 EIAARN COc1nc2ccccc2cc1-c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000072157286 216046644 /nfs/dbraw/zinc/04/66/44/216046644.db2.gz RGIBDAOWMIBXRH-UHFFFAOYSA-N 0 0 346.390 4.479 50 0 EIAARN c1oc(-c2ccccc2)nc1COc1cnc(-c2ccccc2)nc1 ZINC000031785219 212747525 /nfs/dbraw/zinc/74/75/25/212747525.db2.gz MBDUETKXVBOKIF-UHFFFAOYSA-N 0 0 329.359 4.378 50 0 EIAARN C[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000031182698 212726000 /nfs/dbraw/zinc/72/60/00/212726000.db2.gz KHNHTFMVZRQCPT-KCJUWKMLSA-N 0 0 326.343 4.423 50 0 EIAARN COc1ccccc1Oc1ccc(C(=O)N(C)Cc2cccs2)o1 ZINC000072265306 216087582 /nfs/dbraw/zinc/08/75/82/216087582.db2.gz CIROBUUJVLZTJQ-UHFFFAOYSA-N 0 0 343.404 4.414 50 0 EIAARN Cc1ccc(C)c(NC(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000072265229 216086708 /nfs/dbraw/zinc/08/67/08/216086708.db2.gz OUWRHBCTLXWMTD-UHFFFAOYSA-N 0 0 338.451 4.173 50 0 EIAARN CCc1nc([C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)no1 ZINC000072279281 216106742 /nfs/dbraw/zinc/10/67/42/216106742.db2.gz MRBPQSILOBTDTP-JTQLQIEISA-N 0 0 346.740 4.041 50 0 EIAARN O=C(c1cccc(OCc2ccccc2)c1)N1CCOc2ccccc21 ZINC000030577905 212702433 /nfs/dbraw/zinc/70/24/33/212702433.db2.gz UOBGMUFHBDITOX-UHFFFAOYSA-N 0 0 345.398 4.305 50 0 EIAARN Cc1cc(F)ccc1NC(=O)Nc1ccc(NC2CCOCC2)cc1 ZINC000072282509 216111969 /nfs/dbraw/zinc/11/19/69/216111969.db2.gz ULMXRJPAHSIOPZ-UHFFFAOYSA-N 0 0 343.402 4.369 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Br)c(C)c1 ZINC000000364850 209554087 /nfs/dbraw/zinc/55/40/87/209554087.db2.gz RJTLOEJUHXQPFY-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN O=c1oc(-c2ccccc2Br)nc2ccc(Cl)cc12 ZINC000000363344 209552838 /nfs/dbraw/zinc/55/28/38/209552838.db2.gz CTZHIGMLOPJBDJ-UHFFFAOYSA-N 0 0 336.572 4.271 50 0 EIAARN CSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1)Nc1ccccc1-2 ZINC000000345004 209543293 /nfs/dbraw/zinc/54/32/93/209543293.db2.gz XEQUSMSJTVQARW-PCUGXKRQSA-N 0 0 348.431 4.104 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000000327263 209538909 /nfs/dbraw/zinc/53/89/09/209538909.db2.gz AUKKBHOKTOLYRX-UHFFFAOYSA-N 0 0 327.855 4.364 50 0 EIAARN O=C1c2ccccc2C(=O)N1Cc1cccc(Oc2ccccc2)c1 ZINC000000314344 209532200 /nfs/dbraw/zinc/53/22/00/209532200.db2.gz LDEMGKOKWBTIGY-UHFFFAOYSA-N 0 0 329.355 4.275 50 0 EIAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc1 ZINC000000310969 209529479 /nfs/dbraw/zinc/52/94/79/209529479.db2.gz UUFIOPQHDRCUCM-GOSISDBHSA-N 0 0 331.371 4.101 50 0 EIAARN O=C(C[C@@H]1CCOc2ccccc21)N1CCCC[C@@H]1c1nccs1 ZINC000072287468 216119645 /nfs/dbraw/zinc/11/96/45/216119645.db2.gz PYHNWDDJDPDFKH-GOEBONIOSA-N 0 0 342.464 4.153 50 0 EIAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1F ZINC000000283299 209517471 /nfs/dbraw/zinc/51/74/71/209517471.db2.gz JNQVHJMXYIENLM-AUWJEWJLSA-N 0 0 336.149 4.477 50 0 EIAARN COc1ccccc1-c1cc(C(=O)Nc2cnc3ccccc3c2)no1 ZINC000030038453 212690629 /nfs/dbraw/zinc/69/06/29/212690629.db2.gz PSXLLHABWUWCCI-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN C[C@@H](Cc1ccccc1F)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000072291660 216126238 /nfs/dbraw/zinc/12/62/38/216126238.db2.gz HOFPJNAFQMAWES-BBRMVZONSA-N 0 0 332.444 4.215 50 0 EIAARN C[C@H](Cn1cccn1)Nc1nc(-c2cccs2)nc2ccccc21 ZINC000029624299 212675480 /nfs/dbraw/zinc/67/54/80/212675480.db2.gz YLLCIGIAJIJWIC-CYBMUJFWSA-N 0 0 335.436 4.055 50 0 EIAARN C[C@H]1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCO1 ZINC000029789750 212681182 /nfs/dbraw/zinc/68/11/82/212681182.db2.gz XDVUENIRPFWESX-ZDUSSCGKSA-N 0 0 349.352 4.233 50 0 EIAARN Cc1nc2ccc(NC(=O)N3CC[C@H](c4ccccc4)C3)cc2nc1C ZINC000000269988 209511816 /nfs/dbraw/zinc/51/18/16/209511816.db2.gz VGTARPZBAFJEQZ-KRWDZBQOSA-N 0 0 346.434 4.268 50 0 EIAARN Cc1sc(NC(=O)CN(C)[C@@H](C)c2cccc(O)c2)c(C)c1C ZINC000072305157 216143901 /nfs/dbraw/zinc/14/39/01/216143901.db2.gz AXIDNIXTMXECPX-ZDUSSCGKSA-N 0 0 332.469 4.010 50 0 EIAARN CN(C(=O)CCSc1nc2ccccc2s1)c1ccccc1 ZINC000029629594 212675038 /nfs/dbraw/zinc/67/50/38/212675038.db2.gz YWPGFHYJPRNCOI-UHFFFAOYSA-N 0 0 328.462 4.442 50 0 EIAARN CC(C)c1csc([C@@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 ZINC000072297219 216135259 /nfs/dbraw/zinc/13/52/59/216135259.db2.gz FXBLWXYKIVVINK-LLVKDONJSA-N 0 0 337.876 4.268 50 0 EIAARN C[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000072328868 216152177 /nfs/dbraw/zinc/15/21/77/216152177.db2.gz YAGNBUXREXFJQG-NSHDSACASA-N 0 0 343.789 4.360 50 0 EIAARN Cc1cccc(-c2n[nH]cc2C(=O)NCc2ccc(OC(C)C)cc2)c1 ZINC000072329148 216153426 /nfs/dbraw/zinc/15/34/26/216153426.db2.gz CKUYXKCGHUTSGF-UHFFFAOYSA-N 0 0 349.434 4.102 50 0 EIAARN Cc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(C(C)C)cc2)cc1 ZINC000072328918 216153592 /nfs/dbraw/zinc/15/35/92/216153592.db2.gz NXSKIYMYLQYVAI-UHFFFAOYSA-N 0 0 333.435 4.439 50 0 EIAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1 ZINC000000233140 209496753 /nfs/dbraw/zinc/49/67/53/209496753.db2.gz SMXZKDHWOXZJHE-UHFFFAOYSA-N 0 0 331.371 4.470 50 0 EIAARN CCc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000072329182 216154190 /nfs/dbraw/zinc/15/41/90/216154190.db2.gz YUWGHLAEPNRBPJ-CYBMUJFWSA-N 0 0 337.398 4.269 50 0 EIAARN O=C(NCc1ccccc1C(F)(F)F)c1cc(F)ccc1Cl ZINC000072331794 216154971 /nfs/dbraw/zinc/15/49/71/216154971.db2.gz MGKBIZHTKLFCLQ-UHFFFAOYSA-N 0 0 331.696 4.428 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000072331740 216155329 /nfs/dbraw/zinc/15/53/29/216155329.db2.gz QXNDNLKRZMXYNO-UHFFFAOYSA-N 0 0 333.815 4.066 50 0 EIAARN COc1ccc2ccccc2c1CNC(=O)c1ccccc1Cl ZINC000029301545 212661031 /nfs/dbraw/zinc/66/10/31/212661031.db2.gz CYVSTSIFGPHFLM-UHFFFAOYSA-N 0 0 325.795 4.432 50 0 EIAARN CN(C)c1ccccc1NC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000072314293 216149466 /nfs/dbraw/zinc/14/94/66/216149466.db2.gz ZVHIVPPIGAKHFY-UHFFFAOYSA-N 0 0 343.858 4.112 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000233410 209498000 /nfs/dbraw/zinc/49/80/00/209498000.db2.gz RCZRCQPUEWPIER-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN O=C(NCc1ccccc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000000217207 209490851 /nfs/dbraw/zinc/49/08/51/209490851.db2.gz WOMIFYLETGKIHK-UHFFFAOYSA-N 0 0 339.398 4.227 50 0 EIAARN Fc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000000222270 209494680 /nfs/dbraw/zinc/49/46/80/209494680.db2.gz JOJOFTRONHMCLV-HOTGVXAUSA-N 0 0 328.778 4.217 50 0 EIAARN CCc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)s1 ZINC000000210396 209486261 /nfs/dbraw/zinc/48/62/61/209486261.db2.gz PMCFPMUDAQRYGF-PTNGSMBKSA-N 0 0 334.510 4.043 50 0 EIAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)OC12CCCCC2 ZINC000000201126 209480917 /nfs/dbraw/zinc/48/09/17/209480917.db2.gz XADDEUNOKRZRLW-LLVKDONJSA-N 0 0 342.222 4.198 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)c1cccc(Br)c1 ZINC000000190948 209473809 /nfs/dbraw/zinc/47/38/09/209473809.db2.gz AAAHVCCQJOYQGA-UHFFFAOYSA-N 0 0 337.242 4.037 50 0 EIAARN CCSc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000000175122 209464636 /nfs/dbraw/zinc/46/46/36/209464636.db2.gz YJIZLVUMKUMFPZ-UHFFFAOYSA-N 0 0 334.253 4.209 50 0 EIAARN CC(C)n1c2ccc(C(=O)N3CCCCC3)cc2nc1C(F)(F)F ZINC000000171532 209462840 /nfs/dbraw/zinc/46/28/40/209462840.db2.gz XZNXECCBCNRMPG-UHFFFAOYSA-N 0 0 339.361 4.262 50 0 EIAARN O=c1c2cc(-c3ccccc3)sc2ncn1CCOc1ccccc1 ZINC000000150930 209455247 /nfs/dbraw/zinc/45/52/47/209455247.db2.gz PFDXQVFXQFMBQN-UHFFFAOYSA-N 0 0 348.427 4.204 50 0 EIAARN CC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c1 ZINC000000142424 209446658 /nfs/dbraw/zinc/44/66/58/209446658.db2.gz ISWIQHBSJKIKGQ-UHFFFAOYSA-N 0 0 325.408 4.339 50 0 EIAARN O=C(Oc1ccccc1)c1cccc(C(=O)Oc2ccccc2)c1F ZINC000000141900 209446014 /nfs/dbraw/zinc/44/60/14/209446014.db2.gz WVTIWLYDIVQAJU-UHFFFAOYSA-N 0 0 336.318 4.264 50 0 EIAARN O=C1C[C@H](c2c(F)cccc2Cl)c2cnn(Cc3ccco3)c2N1 ZINC000072403744 216194946 /nfs/dbraw/zinc/19/49/46/216194946.db2.gz ODTIVPLIKNIOAQ-NSHDSACASA-N 0 0 345.761 4.441 50 0 EIAARN Cc1cccc(C)c1NC(=O)COc1ccccc1Br ZINC000000137213 209443332 /nfs/dbraw/zinc/44/33/32/209443332.db2.gz RAJIJHIHKCOBQW-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CC(C)(O)CCc1ccc(CN2CCC[C@@H]2c2nccs2)cc1 ZINC000072407036 216198198 /nfs/dbraw/zinc/19/81/98/216198198.db2.gz WLPJACFPANILSQ-QGZVFWFLSA-N 0 0 330.497 4.184 50 0 EIAARN COc1cccc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)c1OC ZINC000000124158 209436362 /nfs/dbraw/zinc/43/63/62/209436362.db2.gz YAHRTZMMRQBGOI-QGZVFWFLSA-N 0 0 333.387 4.331 50 0 EIAARN COc1ccc(C(=O)N(Cc2ccccc2F)c2ccccn2)cc1 ZINC000028286948 212612959 /nfs/dbraw/zinc/61/29/59/212612959.db2.gz UZHBLPCYPBVNQH-UHFFFAOYSA-N 0 0 336.366 4.076 50 0 EIAARN CCOC(=O)Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O ZINC000000101409 209420087 /nfs/dbraw/zinc/42/00/87/209420087.db2.gz MNXKTTJUXBMPFE-UHFFFAOYSA-N 0 0 340.331 4.004 50 0 biogenic EIAARN CC1=NN(C(=O)c2ccccc2Cl)[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000000077555 209404793 /nfs/dbraw/zinc/40/47/93/209404793.db2.gz UKTLLYCWSFLLTQ-KRWDZBQOSA-N 0 0 349.217 4.061 50 0 EIAARN Cc1ccc(C)n1-n1c(C)nc2scc(-c3cccs3)c2c1=O ZINC000000091911 209415283 /nfs/dbraw/zinc/41/52/83/209415283.db2.gz HDJWKLBSKCRFGX-UHFFFAOYSA-N 0 0 341.461 4.225 50 0 EIAARN O=C(NCCc1cccc2ccccc21)c1ccc2ccccc2n1 ZINC000000088311 209412461 /nfs/dbraw/zinc/41/24/61/209412461.db2.gz OUZXUGMIJUFACQ-UHFFFAOYSA-N 0 0 326.399 4.361 50 0 EIAARN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCCC2(C1)CCCCCC2 ZINC000129668434 223079477 /nfs/dbraw/zinc/07/94/77/223079477.db2.gz OAVFWWURBGFQHZ-ZWKOTPCHSA-N 0 0 334.504 4.090 50 0 EIAARN COc1ccc(CSc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000000064255 209396748 /nfs/dbraw/zinc/39/67/48/209396748.db2.gz CSBCUKRPNCXILD-UHFFFAOYSA-N 0 0 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Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc3c(C)cc(C)cc23)no1 ZINC000077355437 216880608 /nfs/dbraw/zinc/88/06/08/216880608.db2.gz IDDQCBJOHORKLY-IBGZPJMESA-N 0 0 349.434 4.434 50 0 EIAARN CCOc1ccc([C@@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)cc1 ZINC000019927692 212085003 /nfs/dbraw/zinc/08/50/03/212085003.db2.gz RVONJWMWYKKOCM-ABAIWWIYSA-N 0 0 334.466 4.017 50 0 EIAARN N=c1n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F ZINC000019900329 212080519 /nfs/dbraw/zinc/08/05/19/212080519.db2.gz PIRXOVWZBWSEMM-UHFFFAOYSA-N 0 0 345.421 4.352 50 0 EIAARN O=C(c1cccc(C[S@](=O)CC2CCCCC2)c1)N1CCCCC1 ZINC000077478557 216914954 /nfs/dbraw/zinc/91/49/54/216914954.db2.gz HCIMDIUSHNNOJA-DEOSSOPVSA-N 0 0 347.524 4.142 50 0 EIAARN CCCc1[nH]c([C@@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccccc1 ZINC000019770647 212063065 /nfs/dbraw/zinc/06/30/65/212063065.db2.gz IPCQWYXZQXYIIW-MRXNPFEDSA-N 0 0 325.456 4.001 50 0 EIAARN Cc1cccc(C)c1OCCNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000019738218 212059308 /nfs/dbraw/zinc/05/93/08/212059308.db2.gz UXRSOWZBLMTWIY-HXUWFJFHSA-N 0 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/nfs/dbraw/zinc/00/47/65/211004765.db2.gz CDHJESHVYVCTIO-NSHDSACASA-N 0 0 346.452 4.431 50 0 EIAARN Cc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)nc3ncccn32)cc1 ZINC000008766625 211002138 /nfs/dbraw/zinc/00/21/38/211002138.db2.gz HFYUFPYZIZHSCA-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Cc1ccc(CSCC(=O)Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000008757294 211000389 /nfs/dbraw/zinc/00/03/89/211000389.db2.gz JBCYMTRWEMZXPA-UHFFFAOYSA-N 0 0 349.839 4.249 50 0 EIAARN CN(Cc1ccsc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008751639 211000100 /nfs/dbraw/zinc/00/01/00/211000100.db2.gz QYVSEVKUNLKGKR-UHFFFAOYSA-N 0 0 337.448 4.083 50 0 EIAARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008751275 210999351 /nfs/dbraw/zinc/99/93/51/210999351.db2.gz IYJWVQPMLFJCFG-UHFFFAOYSA-N 0 0 347.201 4.059 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1cccnc1)[C@@H]1CSc2ccccc21 ZINC000095398482 218331411 /nfs/dbraw/zinc/33/14/11/218331411.db2.gz LLHORLVBIOEIFH-UYAOXDASSA-N 0 0 346.455 4.177 50 0 EIAARN Cc1nccn1Cc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000095398603 218331645 /nfs/dbraw/zinc/33/16/45/218331645.db2.gz TVYJBVSUEMBXJS-GOSISDBHSA-N 0 0 349.459 4.068 50 0 EIAARN CCO[C@@H](C)c1nc(C(=O)OCc2ccc(Cl)s2)cs1 ZINC000095399932 218333820 /nfs/dbraw/zinc/33/38/20/218333820.db2.gz XLJJHELYHIHUMW-QMMMGPOBSA-N 0 0 331.846 4.313 50 0 EIAARN CCO[C@H](C)c1nc(C(=O)OCc2ccc(Cl)s2)cs1 ZINC000095399933 218333896 /nfs/dbraw/zinc/33/38/96/218333896.db2.gz XLJJHELYHIHUMW-MRVPVSSYSA-N 0 0 331.846 4.313 50 0 EIAARN Cc1cccc(C)c1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 ZINC000008735465 210994358 /nfs/dbraw/zinc/99/43/58/210994358.db2.gz KHAPHSBFAQJSMN-JLHYYAGUSA-N 0 0 334.419 4.082 50 0 EIAARN O=C(CSc1cc(=O)oc2ccccc21)Nc1ccccc1Cl ZINC000008716911 210989444 /nfs/dbraw/zinc/98/94/44/210989444.db2.gz GENCPJVOJMXBOV-UHFFFAOYSA-N 0 0 345.807 4.177 50 0 EIAARN CCc1ccc(-c2nc(C[S@@](=O)Cc3ncc(C)o3)cs2)cc1 ZINC000095409612 218346269 /nfs/dbraw/zinc/34/62/69/218346269.db2.gz HPQDMUCYMBLMIH-QHCPKHFHSA-N 0 0 346.477 4.118 50 0 EIAARN CCOc1ccc(NC(=O)CSc2nccn2C2CCCC2)cc1 ZINC000008602147 210971328 /nfs/dbraw/zinc/97/13/28/210971328.db2.gz XZEJVEVZCGWMCJ-UHFFFAOYSA-N 0 0 345.468 4.128 50 0 EIAARN COc1ccccc1NC(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000008575416 210968464 /nfs/dbraw/zinc/96/84/64/210968464.db2.gz WPCRIYKTBPIKMM-UHFFFAOYSA-N 0 0 340.408 4.166 50 0 EIAARN Cc1nc(CC(=O)Nc2ccc(Cl)cc2Br)cs1 ZINC000095418892 218358830 /nfs/dbraw/zinc/35/88/30/218358830.db2.gz MHZUGPYWRZWDPB-UHFFFAOYSA-N 0 0 345.649 4.049 50 0 EIAARN Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 ZINC000095413279 218350325 /nfs/dbraw/zinc/35/03/25/218350325.db2.gz UJBRODXKVWCLAA-WMLDXEAASA-N 0 0 346.427 4.009 50 0 EIAARN CC(C)(C)c1nnc(CSCc2ccc(F)c3cccnc23)o1 ZINC000095412880 218351000 /nfs/dbraw/zinc/35/10/00/218351000.db2.gz DOIZPFILMVMAGZ-UHFFFAOYSA-N 0 0 331.416 4.488 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)c(C)c1 ZINC000008600447 210972149 /nfs/dbraw/zinc/97/21/49/210972149.db2.gz VNLAAIXMVYLYOU-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Cc1cccc(N(CC(F)(F)F)C(=O)c2ccnn2C(C)C)c1C ZINC000095427933 218369912 /nfs/dbraw/zinc/36/99/12/218369912.db2.gz HOAVKBGVIVUGGQ-UHFFFAOYSA-N 0 0 339.361 4.290 50 0 EIAARN CN(C(=O)c1cc2ccccc2s1)[C@@H](CCO)c1ccccc1 ZINC000095426761 218368228 /nfs/dbraw/zinc/36/82/28/218368228.db2.gz OTIBNDRZLGDPHB-INIZCTEOSA-N 0 0 325.433 4.097 50 0 EIAARN COc1cc(CNc2ccccc2CO)cc(Cl)c1OC(F)F ZINC000095428604 218370780 /nfs/dbraw/zinc/37/07/80/218370780.db2.gz CVUCDYYAUDGJMY-UHFFFAOYSA-N 0 0 343.757 4.054 50 0 EIAARN O=C(Nc1cccc(NCc2ccc3c(c2)CCO3)c1)c1ccoc1 ZINC000095428903 218371215 /nfs/dbraw/zinc/37/12/15/218371215.db2.gz MYOZSFGXRJOKHZ-UHFFFAOYSA-N 0 0 334.375 4.079 50 0 EIAARN CN(C(=O)C1CC=CC1)c1ccc(NC(=O)C2CC=CC2)cc1Cl ZINC000095429087 218372047 /nfs/dbraw/zinc/37/20/47/218372047.db2.gz IZAWEVNQQLTTON-UHFFFAOYSA-N 0 0 344.842 4.174 50 0 EIAARN Cc1nnc(-c2cccc(NCc3ccccc3OC(F)F)c2)o1 ZINC000095429208 218372162 /nfs/dbraw/zinc/37/21/62/218372162.db2.gz PLPZKKWLLNLSAI-UHFFFAOYSA-N 0 0 331.322 4.259 50 0 EIAARN CC(C)OC(=O)NCc1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000095429222 218372222 /nfs/dbraw/zinc/37/22/22/218372222.db2.gz NIJPUEMGUMTUGM-UHFFFAOYSA-N 0 0 345.468 4.267 50 0 EIAARN CCCc1nnc2sc(COc3cc(C)ccc3C(C)C)nn12 ZINC000008392293 210947834 /nfs/dbraw/zinc/94/78/34/210947834.db2.gz OCGOKCWSOSBGNG-UHFFFAOYSA-N 0 0 330.457 4.149 50 0 EIAARN O=C(c1ccnnc1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000095440892 218385718 /nfs/dbraw/zinc/38/57/18/218385718.db2.gz VFKPFCVHXXRHBI-UHFFFAOYSA-N 0 0 348.233 4.103 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCc4ccccc43)cc12 ZINC000008329157 210937959 /nfs/dbraw/zinc/93/79/59/210937959.db2.gz SJFFBRVHFSCOFO-UHFFFAOYSA-N 0 0 339.464 4.265 50 0 EIAARN CCc1ccc(-c2noc(CN(C)[C@H](CC)c3ccncc3)n2)cc1 ZINC000095446807 218391162 /nfs/dbraw/zinc/39/11/62/218391162.db2.gz LEGKXAMNGNOHFP-GOSISDBHSA-N 0 0 336.439 4.277 50 0 EIAARN O=C(Cc1csc(-c2ccsc2)n1)NCc1ccccc1Cl ZINC000008273270 210924599 /nfs/dbraw/zinc/92/45/99/210924599.db2.gz LWRAMGXFFXQCNA-UHFFFAOYSA-N 0 0 348.880 4.384 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(Br)s1 ZINC000008276394 210924129 /nfs/dbraw/zinc/92/41/29/210924129.db2.gz FRRAYDLVDBPFGJ-URGSKGIXSA-N 0 0 328.275 4.219 50 0 EIAARN CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(OC)ccc1Br ZINC000095459133 218401410 /nfs/dbraw/zinc/40/14/10/218401410.db2.gz PSDYGMZEQDUBIR-GHMZBOCLSA-N 0 0 341.249 4.253 50 0 EIAARN C[C@]1(CCCO)CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000095455382 218398489 /nfs/dbraw/zinc/39/84/89/218398489.db2.gz RZQYQLAYMSKQIN-OAHLLOKOSA-N 0 0 331.243 4.152 50 0 EIAARN Cc1nc(C(=O)Nc2ccccn2)c(-c2ccccc2Cl)s1 ZINC000095480324 218411684 /nfs/dbraw/zinc/41/16/84/218411684.db2.gz NNPQUXKBZMBEAK-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1nc(C(C)C)c(-c2nn3c(nnc3-c3ccsc3)s2)s1 ZINC000095473496 218408818 /nfs/dbraw/zinc/40/88/18/218408818.db2.gz CQHHWFYVGHPFFG-UHFFFAOYSA-N 0 0 347.494 4.470 50 0 EIAARN O=C(Nc1nccs1)c1cccc(OCc2ccc(F)cc2)c1 ZINC000008230238 210916043 /nfs/dbraw/zinc/91/60/43/210916043.db2.gz FGGUUXXPLUFOAW-UHFFFAOYSA-N 0 0 328.368 4.114 50 0 EIAARN Cc1ccn2cc(C(=O)Nc3ccc(N4CCCCCC4)cc3)nc2c1 ZINC000008156294 210903147 /nfs/dbraw/zinc/90/31/47/210903147.db2.gz AXJGRDWWWRHTMP-UHFFFAOYSA-N 0 0 348.450 4.275 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1)c1cc(Br)ccc1F ZINC000008035229 210885618 /nfs/dbraw/zinc/88/56/18/210885618.db2.gz VDIWOZASFSAUKF-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN Cc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccc(C)c(C)c1 ZINC000008021753 210883600 /nfs/dbraw/zinc/88/36/00/210883600.db2.gz AFCWCTLJUVOWSN-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN c1cc2c(cc1Sc1ncnc3sc4c(c31)CCC4)OCCO2 ZINC000007983466 210875382 /nfs/dbraw/zinc/87/53/82/210875382.db2.gz BCPQYYXZNKHNSN-UHFFFAOYSA-N 0 0 342.445 4.102 50 0 EIAARN CCOc1ccc2oc(C(=O)NCc3ccc(OC)cc3)c(C)c2c1 ZINC000007949910 210868155 /nfs/dbraw/zinc/86/81/55/210868155.db2.gz LZLKRWVXDZNYJR-UHFFFAOYSA-N 0 0 339.391 4.079 50 0 EIAARN CCc1ccc([C@H]2CCCCCN2C(=O)CCc2ccncc2)o1 ZINC000095960763 218466343 /nfs/dbraw/zinc/46/63/43/218466343.db2.gz CHTDPCOXJUTNMW-GOSISDBHSA-N 0 0 326.440 4.314 50 0 EIAARN Cc1nc(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)no1 ZINC000095965302 218469954 /nfs/dbraw/zinc/46/99/54/218469954.db2.gz HIURQXFJNFIIEX-QGZVFWFLSA-N 0 0 331.778 4.050 50 0 EIAARN Cc1nnc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)s1 ZINC000007735110 210840426 /nfs/dbraw/zinc/84/04/26/210840426.db2.gz NCROOKKFPUFFME-UHFFFAOYSA-N 0 0 348.431 4.107 50 0 EIAARN CC[C@H](C)[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000007657249 210827292 /nfs/dbraw/zinc/82/72/92/210827292.db2.gz OFFYUEMCGVMBPC-KSSFIOAISA-N 0 0 325.408 4.242 50 0 EIAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000007609477 210820544 /nfs/dbraw/zinc/82/05/44/210820544.db2.gz DNLLRKASICWEDM-KRWDZBQOSA-N 0 0 344.842 4.123 50 0 EIAARN Cc1nnc(CSCCCc2ccccc2Br)o1 ZINC000096009505 218510888 /nfs/dbraw/zinc/51/08/88/218510888.db2.gz DQQQYWJHXLXENP-UHFFFAOYSA-N 0 0 327.247 4.007 50 0 EIAARN O=S(=O)(Nc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000007402058 210794666 /nfs/dbraw/zinc/79/46/66/210794666.db2.gz PLQCOBLGQIREQC-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccccc2)CSC3)c1 ZINC000007319129 210784548 /nfs/dbraw/zinc/78/45/48/210784548.db2.gz DJXXRTDKQJWWAL-UHFFFAOYSA-N 0 0 335.432 4.180 50 0 EIAARN COc1ccccc1NC(=O)[C@@H](C)Nc1ccc2nc(C)sc2c1 ZINC000007242063 210772924 /nfs/dbraw/zinc/77/29/24/210772924.db2.gz NGEZEHWKXVQUQS-LLVKDONJSA-N 0 0 341.436 4.052 50 0 EIAARN Cc1ccc(NC(=O)NCc2cccn2Cc2ccccc2)c(C)c1 ZINC000006917716 210743728 /nfs/dbraw/zinc/74/37/28/210743728.db2.gz JWQYNTMCGFMDLK-UHFFFAOYSA-N 0 0 333.435 4.475 50 0 EIAARN Cc1noc(C)c1C(=O)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000096118692 218611530 /nfs/dbraw/zinc/61/15/30/218611530.db2.gz DGSRMLCKRMCTDX-HNNXBMFYSA-N 0 0 343.814 4.234 50 0 EIAARN CC(C)CNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006723826 210690949 /nfs/dbraw/zinc/69/09/49/210690949.db2.gz ANRFEHBKVAKJFQ-UHFFFAOYSA-N 0 0 345.874 4.316 50 0 EIAARN O=C(Nc1ccnn1C1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000006625463 210665782 /nfs/dbraw/zinc/66/57/82/210665782.db2.gz PRWKXFMXCRNARU-UHFFFAOYSA-N 0 0 339.317 4.149 50 0 EIAARN Cc1cc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)no1 ZINC000006553687 210652892 /nfs/dbraw/zinc/65/28/92/210652892.db2.gz RTEBUBAQXXEOKK-UHFFFAOYSA-N 0 0 341.348 4.212 50 0 EIAARN CCCCn1nc(C(=O)Nc2ccccc2CC)c2ccccc2c1=O ZINC000006430026 210632525 /nfs/dbraw/zinc/63/25/25/210632525.db2.gz GQSRXUHJFPHHPW-UHFFFAOYSA-N 0 0 349.434 4.011 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)Cn1c(C)cc2ccccc21 ZINC000006255679 210607746 /nfs/dbraw/zinc/60/77/46/210607746.db2.gz VYZVIBVLOVMIPC-UHFFFAOYSA-N 0 0 328.799 4.250 50 0 EIAARN Cc1cc(C)n2c(nnc2SCc2ccc(Cl)c(Cl)c2)n1 ZINC000006172197 210595432 /nfs/dbraw/zinc/59/54/32/210595432.db2.gz DYLIXZSTJBRZMK-UHFFFAOYSA-N 0 0 339.251 4.340 50 0 EIAARN O=C(/C=C(\c1ccccc1)C(F)(F)F)NCCc1cccc(F)c1 ZINC000096316218 218743847 /nfs/dbraw/zinc/74/38/47/218743847.db2.gz ZUGILZPHESNHEM-FOWTUZBSSA-N 0 0 337.316 4.130 50 0 EIAARN CCOc1ccc(OC(=O)/C=C\c2c(Cl)nc3sccn23)cc1 ZINC000096401215 218749532 /nfs/dbraw/zinc/74/95/32/218749532.db2.gz XEVCEGBMFKNDKJ-FPLPWBNLSA-N 0 0 348.811 4.067 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000096410698 218764931 /nfs/dbraw/zinc/76/49/31/218764931.db2.gz PEWIBWWUWBHNPR-UHFFFAOYSA-N 0 0 342.399 4.220 50 0 EIAARN Cc1oc(-c2ccccc2)nc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005937899 210562437 /nfs/dbraw/zinc/56/24/37/210562437.db2.gz CRSGKQSHXOZLDE-UHFFFAOYSA-N 0 0 336.435 4.349 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2O)[nH]n1 ZINC000005928577 210560671 /nfs/dbraw/zinc/56/06/71/210560671.db2.gz ULWMACHIYBUITP-UHFFFAOYSA-N 0 0 347.296 4.053 50 0 EIAARN CC(C)[C@@H](NC(=O)N1CCC2(CCCC2)CC1)c1nc(C2CC2)no1 ZINC000096416075 218776390 /nfs/dbraw/zinc/77/63/90/218776390.db2.gz FTGBQTJGZPDAAG-OAHLLOKOSA-N 0 0 346.475 4.010 50 0 EIAARN COc1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1F ZINC000187076825 532987214 /nfs/dbraw/zinc/98/72/14/532987214.db2.gz MVZTZHDTFQQFSG-QGZVFWFLSA-N 0 0 343.402 4.379 50 0 EIAARN COc1ccc(-c2nnc(SCc3cc(C)ccc3C)n2C)cc1 ZINC000005848332 210546405 /nfs/dbraw/zinc/54/64/05/210546405.db2.gz CLRPFIXFJDLPEK-UHFFFAOYSA-N 0 0 339.464 4.400 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2ccc(COc3ccccc3)o2)o1 ZINC000005824448 210543989 /nfs/dbraw/zinc/54/39/89/210543989.db2.gz YAOSBVLBUJIUDY-UHFFFAOYSA-N 0 0 325.364 4.032 50 0 EIAARN Cc1cccc2cc(CN(C(=O)C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000005818545 210542094 /nfs/dbraw/zinc/54/20/94/210542094.db2.gz AOIPWNMPWJDPOU-UHFFFAOYSA-N 0 0 340.467 4.154 50 0 EIAARN O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl ZINC000005699179 210519268 /nfs/dbraw/zinc/51/92/68/210519268.db2.gz XIUBIUDCYJJLCC-UHFFFAOYSA-N 0 0 328.721 4.409 50 0 EIAARN C[C@H]1C[C@@H]1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000005693431 210518608 /nfs/dbraw/zinc/51/86/08/210518608.db2.gz NODMWGQCDYQKDU-BBRMVZONSA-N 0 0 333.387 4.217 50 0 EIAARN Cc1ccc(F)cc1NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000096446168 218829242 /nfs/dbraw/zinc/82/92/42/218829242.db2.gz IAAPWCDVNCBMGX-RKNYENMMSA-N 0 0 348.443 4.096 50 0 EIAARN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000005629051 210505314 /nfs/dbraw/zinc/50/53/14/210505314.db2.gz XLXLNOFEBAZJCT-LLVKDONJSA-N 0 0 346.481 4.193 50 0 EIAARN CC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1 ZINC000005557419 210489534 /nfs/dbraw/zinc/48/95/34/210489534.db2.gz PYRXKLRXEJAGSG-UHFFFAOYSA-N 0 0 325.408 4.339 50 0 EIAARN Cc1ccc(OCCSCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000005555952 210488264 /nfs/dbraw/zinc/48/82/64/210488264.db2.gz QAWDDNVKWDDARH-UHFFFAOYSA-N 0 0 335.856 4.399 50 0 EIAARN COc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000005513884 210478371 /nfs/dbraw/zinc/47/83/71/210478371.db2.gz NKCNNHZHCNAFES-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN COc1ccc2c(CC(=O)Nc3ccccc3SC)coc2c1 ZINC000005443563 210465187 /nfs/dbraw/zinc/46/51/87/210465187.db2.gz JDYHUSHFMUHMTA-UHFFFAOYSA-N 0 0 327.405 4.345 50 0 EIAARN CC/C=C\C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2)n1 ZINC000096931273 218901412 /nfs/dbraw/zinc/90/14/12/218901412.db2.gz KDFBGBVQSUDAJV-UITAMQMPSA-N 0 0 344.436 4.146 50 0 EIAARN Cc1cccc(C(=O)NCCc2nc3ccccc3n2CCC(C)C)c1 ZINC000005234808 210418603 /nfs/dbraw/zinc/41/86/03/210418603.db2.gz DZYORZVEEBDWQE-UHFFFAOYSA-N 0 0 349.478 4.363 50 0 aggregator EIAARN CCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C ZINC000005269613 210430107 /nfs/dbraw/zinc/43/01/07/210430107.db2.gz RGPZIRPMOXCGBS-UHFFFAOYSA-N 0 0 340.810 4.207 50 0 EIAARN CC(=O)Nc1ccc(/C=C\C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000096973284 218907807 /nfs/dbraw/zinc/90/78/07/218907807.db2.gz YGRTYKCCUMVBJR-WTKPLQERSA-N 0 0 332.762 4.089 50 0 EIAARN CCN(CC)c1nc(SC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000005205624 210414575 /nfs/dbraw/zinc/41/45/75/210414575.db2.gz NIMMTQBVSRTMCK-UHFFFAOYSA-N 0 0 337.514 4.111 50 0 EIAARN CSc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000005186482 210410063 /nfs/dbraw/zinc/41/00/63/210410063.db2.gz KXEMJMHYNVRREX-UHFFFAOYSA-N 0 0 349.818 4.189 50 0 EIAARN N=C1NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)S1 ZINC000005102136 210390532 /nfs/dbraw/zinc/39/05/32/210390532.db2.gz RSWOXSWQFUGUFQ-DHDCSXOGSA-N 0 0 344.823 4.058 50 0 EIAARN CC1=C(C(=O)Nc2cc(C)cc(C)c2)C2(CCC(C)CC2)OC1=O ZINC000005058753 210378868 /nfs/dbraw/zinc/37/88/68/210378868.db2.gz DTYKHCOPIVMCCH-UHFFFAOYSA-N 0 0 327.424 4.064 50 0 EIAARN CCCCNC(=O)CSCc1nc(-c2ccc(CC)cc2)oc1C ZINC000005057586 210378412 /nfs/dbraw/zinc/37/84/12/210378412.db2.gz UTEAVPNMSRWXJC-UHFFFAOYSA-N 0 0 346.496 4.362 50 0 EIAARN COC(=O)c1cccc(COC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000005059805 210378204 /nfs/dbraw/zinc/37/82/04/210378204.db2.gz VJLCFHNINGQDMK-UHFFFAOYSA-N 0 0 339.174 4.137 50 0 EIAARN Cc1noc(-c2ccccc2)c1C(=O)NC1CCC(OC(C)C)CC1 ZINC000097108271 218958451 /nfs/dbraw/zinc/95/84/51/218958451.db2.gz MHRLYGMGLOAZSU-UHFFFAOYSA-N 0 0 342.439 4.116 50 0 EIAARN CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000005051508 210376098 /nfs/dbraw/zinc/37/60/98/210376098.db2.gz BYLDBWHPCZAAHK-UHFFFAOYSA-N 0 0 330.387 4.216 50 0 EIAARN Cc1cc(C)n([C@@H]2CCCC[C@@H]2OC(=O)CCc2ccccc2)n1 ZINC000005069192 210382868 /nfs/dbraw/zinc/38/28/68/210382868.db2.gz QQKZHLKZHQGJCS-MOPGFXCFSA-N 0 0 326.440 4.160 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000005063833 210380644 /nfs/dbraw/zinc/38/06/44/210380644.db2.gz UHMYZTNYPOXERJ-UHFFFAOYSA-N 0 0 337.375 4.224 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)CSCc1nc2ccccc2s1 ZINC000005062674 210380579 /nfs/dbraw/zinc/38/05/79/210380579.db2.gz CIJCSNHYAHRNAI-QWHCGFSZSA-N 0 0 334.510 4.224 50 0 EIAARN C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc(Cl)c1 ZINC000005036992 210370978 /nfs/dbraw/zinc/37/09/78/210370978.db2.gz OWONWJCGRZVWEK-NSHDSACASA-N 0 0 342.782 4.005 50 0 EIAARN CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000005035443 210370369 /nfs/dbraw/zinc/37/03/69/210370369.db2.gz FRGAMOFSPMYIFZ-UHFFFAOYSA-N 0 0 326.327 4.173 50 0 EIAARN COc1ccc(NC(=O)c2ccc(COc3cccc(C)c3)o2)cc1 ZINC000005032899 210368440 /nfs/dbraw/zinc/36/84/40/210368440.db2.gz VECUVOOTONIXFO-UHFFFAOYSA-N 0 0 337.375 4.428 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccc(Cl)cc3)c12 ZINC000097134668 218965876 /nfs/dbraw/zinc/96/58/76/218965876.db2.gz SXWDHBSKWSHSKO-UHFFFAOYSA-N 0 0 342.782 4.419 50 0 EIAARN COc1ccc(NC(=O)c2ccc(COc3ccccc3C)o2)cc1 ZINC000005032971 210368199 /nfs/dbraw/zinc/36/81/99/210368199.db2.gz VOOJDDAAFPASJR-UHFFFAOYSA-N 0 0 337.375 4.428 50 0 EIAARN NN=c1nc(SCc2ccccc2)[nH]c2sc3c(c21)CCCC3 ZINC000005047025 210374756 /nfs/dbraw/zinc/37/47/56/210374756.db2.gz YTAFMEYPKYMFJJ-UHFFFAOYSA-N 0 0 342.493 4.148 50 0 EIAARN COc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)c(OC)c2)n1 ZINC000005008612 210360325 /nfs/dbraw/zinc/36/03/25/210360325.db2.gz CCSUQPYCEAMTCO-UHFFFAOYSA-N 0 0 336.391 4.145 50 0 EIAARN CC(C)(C)c1ccccc1OCCOCCn1cnc2ccccc21 ZINC000004998344 210353833 /nfs/dbraw/zinc/35/38/33/210353833.db2.gz BHWNMMLACWRTGX-UHFFFAOYSA-N 0 0 338.451 4.429 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(F)c1)CC(=O)N2 ZINC000004986638 210351253 /nfs/dbraw/zinc/35/12/53/210351253.db2.gz QPBPUBCWWWQLJN-CQSZACIVSA-N 0 0 329.371 4.097 50 0 EIAARN COC(=O)c1cn(C(=O)c2cc(Cl)ccc2Cl)c2ccccc12 ZINC000004985686 210349238 /nfs/dbraw/zinc/34/92/38/210349238.db2.gz KPVGLMZQLFVHGB-UHFFFAOYSA-N 0 0 348.185 4.423 50 0 EIAARN Cc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000004977673 210346724 /nfs/dbraw/zinc/34/67/24/210346724.db2.gz JVSNEQVFZFOPEO-QGPMSJSTSA-N 0 0 332.440 4.156 50 0 EIAARN Cc1ccc(Cn2cccc2C2=N[C@@H](Cc3ccccc3)CO2)cc1 ZINC000004970436 210343195 /nfs/dbraw/zinc/34/31/95/210343195.db2.gz QEIKUQPTDJQMTH-FQEVSTJZSA-N 0 0 330.431 4.233 50 0 EIAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000004960559 210340815 /nfs/dbraw/zinc/34/08/15/210340815.db2.gz SZIDIGGVLMFKGO-OAQYLSRUSA-N 0 0 344.414 4.462 50 0 EIAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1 ZINC000004961073 210340861 /nfs/dbraw/zinc/34/08/61/210340861.db2.gz ZEMVVRKROSNZQR-SFHVURJKSA-N 0 0 335.432 4.218 50 0 EIAARN Cc1ccc(OCc2nn3c(nnc3-c3cccs3)s2)cc1C ZINC000004939219 210330137 /nfs/dbraw/zinc/33/01/37/210330137.db2.gz VRPPIAIXMDPWJG-UHFFFAOYSA-N 0 0 342.449 4.110 50 0 EIAARN Cc1csc(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000004938685 210330012 /nfs/dbraw/zinc/33/00/12/210330012.db2.gz DSHVOXVIDDEFDX-SECBINFHSA-N 0 0 337.495 4.220 50 0 EIAARN CCn1c2ccccc2c2sc(C(=O)NCCC(C)C)cc2c1=O ZINC000004939162 210329322 /nfs/dbraw/zinc/32/93/22/210329322.db2.gz TVSVGWFELRFEIZ-UHFFFAOYSA-N 0 0 342.464 4.012 50 0 EIAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000034345 208553134 /nfs/dbraw/zinc/55/31/34/208553134.db2.gz FERATMTZOGQDCJ-UHFFFAOYSA-N 0 0 346.352 4.468 50 0 biogenic,in-vitro EIAARN CCc1ccc([C@@H]2c3c(C)[nH]nc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000004928735 210327431 /nfs/dbraw/zinc/32/74/31/210327431.db2.gz YALIORSBNKWBKK-HXUWFJFHSA-N 0 0 331.419 4.339 50 0 EIAARN COc1ccccc1Oc1nc(-c2cccnc2)nc2ccccc21 ZINC000003477149 208556436 /nfs/dbraw/zinc/55/64/36/208556436.db2.gz LFIIEPPXDVRMBB-UHFFFAOYSA-N 0 0 329.359 4.493 50 0 EIAARN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(F)c3)n2)cc1 ZINC000004920710 210324266 /nfs/dbraw/zinc/32/42/66/210324266.db2.gz AJEWSRHCYGDUAA-UHFFFAOYSA-N 0 0 339.370 4.064 50 0 EIAARN CCc1ccccc1NC(=O)CCc1nc(-c2ccccc2F)no1 ZINC000004921702 210323852 /nfs/dbraw/zinc/32/38/52/210323852.db2.gz RAMQVMBGOQWXEW-UHFFFAOYSA-N 0 0 339.370 4.009 50 0 EIAARN Cc1ccc(Cn2cccc(C(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 ZINC000004940403 210331332 /nfs/dbraw/zinc/33/13/32/210331332.db2.gz YIYKNYRJWQLSDD-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN CCCC[C@H](CC)C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)CCCC ZINC000004894204 210314756 /nfs/dbraw/zinc/31/47/56/210314756.db2.gz NQBVGWKSYOLZMJ-IKGGRYGDSA-N 0 0 326.525 4.040 50 0 EIAARN Cc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2F)cc1 ZINC000004890709 210313406 /nfs/dbraw/zinc/31/34/06/210313406.db2.gz UYNGRYWHVDEISA-ZDUSSCGKSA-N 0 0 341.411 4.078 50 0 EIAARN Cc1cc(NC(=O)c2cccc(Cl)c2)nn1Cc1ccc(F)cc1 ZINC000004857552 210303244 /nfs/dbraw/zinc/30/32/44/210303244.db2.gz HCVIPJLEHAXENZ-UHFFFAOYSA-N 0 0 343.789 4.285 50 0 EIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(C(C)C)nn1C ZINC000097288726 219009141 /nfs/dbraw/zinc/00/91/41/219009141.db2.gz RGJDIWHDYVHSJN-KRWDZBQOSA-N 0 0 343.475 4.334 50 0 EIAARN O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000004854186 210302471 /nfs/dbraw/zinc/30/24/71/210302471.db2.gz XGMGIQILLWVMIE-LJQANCHMSA-N 0 0 335.382 4.264 50 0 EIAARN O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccccc1F ZINC000004854250 210302531 /nfs/dbraw/zinc/30/25/31/210302531.db2.gz POSJTEIBHJIUNS-LJQANCHMSA-N 0 0 341.430 4.075 50 0 EIAARN O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000004854368 210301669 /nfs/dbraw/zinc/30/16/69/210301669.db2.gz YOWKYMKXRCIRBH-QGZVFWFLSA-N 0 0 341.411 4.326 50 0 EIAARN Cc1cccc(-c2noc(CNC(=O)c3cccc4ccccc43)n2)c1 ZINC000004851040 210299553 /nfs/dbraw/zinc/29/95/53/210299553.db2.gz GMIPUIJGDJCGOP-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c(C)c1 ZINC000004843338 210298241 /nfs/dbraw/zinc/29/82/41/210298241.db2.gz YBUZXLAOBUYXJW-UHFFFAOYSA-N 0 0 349.434 4.404 50 0 EIAARN Cc1cc([C@H]2CCCN2Cc2cnn(-c3ccccc3Cl)c2)on1 ZINC000097346991 219014042 /nfs/dbraw/zinc/01/40/42/219014042.db2.gz QNMHQPWTJFMPSP-QGZVFWFLSA-N 0 0 342.830 4.159 50 0 EIAARN Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)ccc1Cl ZINC000004843148 210296718 /nfs/dbraw/zinc/29/67/18/210296718.db2.gz DEFRBDMGTACPLR-SNVBAGLBSA-N 0 0 325.742 4.333 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccco2)cc1C ZINC000004841857 210296585 /nfs/dbraw/zinc/29/65/85/210296585.db2.gz CPWGPQAJEKTGBM-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN O=C(Nc1ccc(Br)cc1Cl)c1cccc(F)c1 ZINC000004841686 210296234 /nfs/dbraw/zinc/29/62/34/210296234.db2.gz MYSSKYXTSKIOOW-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 ZINC000004834364 210292293 /nfs/dbraw/zinc/29/22/93/210292293.db2.gz KLOMBRLHPDMKLW-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000004834409 210292013 /nfs/dbraw/zinc/29/20/13/210292013.db2.gz ORWSNLDVZRVOAX-PSLIRLAXSA-N 0 0 338.190 4.160 50 0 EIAARN Cc1sc(N2C(=O)c3ccccc3C2=O)nc1-c1ccc(C)cc1 ZINC000004820324 210287670 /nfs/dbraw/zinc/28/76/70/210287670.db2.gz BSQPOZYNTGSLCR-UHFFFAOYSA-N 0 0 334.400 4.228 50 0 EIAARN Cc1ccc(-n2c(/C=C/c3cccnc3)nc3ccccc3c2=O)cc1 ZINC000004817330 210286910 /nfs/dbraw/zinc/28/69/10/210286910.db2.gz LCUIOOQSZIRPDK-JLHYYAGUSA-N 0 0 339.398 4.260 50 0 EIAARN Cn1ccnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000004804517 210281276 /nfs/dbraw/zinc/28/12/76/210281276.db2.gz KRJIGPLYHXEFSP-MRXNPFEDSA-N 0 0 341.411 4.031 50 0 EIAARN CCCCc1ccc(-c2csc(NC(=O)OC)c2C(N)=O)cc1 ZINC000004802152 210280707 /nfs/dbraw/zinc/28/07/07/210280707.db2.gz IECGQKXISFNNNZ-UHFFFAOYSA-N 0 0 332.425 4.035 50 0 EIAARN Cc1cc([C@@H]2CCCCN2Cc2c[nH]nc2-c2cccc(F)c2)no1 ZINC000097480150 219029484 /nfs/dbraw/zinc/02/94/84/219029484.db2.gz JPSTWVDOMSOURG-SFHVURJKSA-N 0 0 340.402 4.239 50 0 EIAARN Clc1ccc(-c2nnc3sc(-c4ccncc4)nn32)c(Cl)c1 ZINC000004785304 210279438 /nfs/dbraw/zinc/27/94/38/210279438.db2.gz CHXZCKZQWOXUQV-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccnc1 ZINC000004749737 210270884 /nfs/dbraw/zinc/27/08/84/210270884.db2.gz UJNVZGBLFIZJQN-UHFFFAOYSA-N 0 0 339.464 4.258 50 0 EIAARN Cc1c2ccc(OCC(=O)c3ccccc3)cc2oc(=O)c1C(C)C ZINC000004747508 210268333 /nfs/dbraw/zinc/26/83/33/210268333.db2.gz MFXLCAQETMBYPG-UHFFFAOYSA-N 0 0 336.387 4.487 50 0 EIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccn1 ZINC000004757469 210272248 /nfs/dbraw/zinc/27/22/48/210272248.db2.gz YPESALBBIHGFPV-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000096415483 257834735 /nfs/dbraw/zinc/83/47/35/257834735.db2.gz SLSXEHYXQSQGKV-ZWKOTPCHSA-N 0 0 327.403 4.001 50 0 EIAARN CC[C@@H](NC(=O)Cc1ccccc1F)c1ccccc1OC(F)F ZINC000027358755 257836015 /nfs/dbraw/zinc/83/60/15/257836015.db2.gz SNUHQQGIKZCTLI-OAHLLOKOSA-N 0 0 337.341 4.237 50 0 EIAARN O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc(F)cc1Cl ZINC000024574616 257836056 /nfs/dbraw/zinc/83/60/56/257836056.db2.gz PTEURDBRZFRJST-UHFFFAOYSA-N 0 0 328.774 4.451 50 0 EIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3cc[nH]c32)c1 ZINC000172979615 257954826 /nfs/dbraw/zinc/95/48/26/257954826.db2.gz CQBXVBLCOIEYGI-UHFFFAOYSA-N 0 0 341.798 4.422 50 0 EIAARN Cc1n[nH]c(C)c1CCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000171386608 257955416 /nfs/dbraw/zinc/95/54/16/257955416.db2.gz LGGNEJNGIBHKJZ-HXUWFJFHSA-N 0 0 337.467 4.028 50 0 EIAARN Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000155881628 257955745 /nfs/dbraw/zinc/95/57/45/257955745.db2.gz AYEXYMFQEGNOHR-NWDGAFQWSA-N 0 0 340.370 4.151 50 0 EIAARN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000155881284 257955859 /nfs/dbraw/zinc/95/58/59/257955859.db2.gz AYEXYMFQEGNOHR-NEPJUHHUSA-N 0 0 340.370 4.151 50 0 EIAARN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000155881410 257955934 /nfs/dbraw/zinc/95/59/34/257955934.db2.gz AYEXYMFQEGNOHR-RYUDHWBXSA-N 0 0 340.370 4.151 50 0 EIAARN Cc1cnccc1-c1cccc(C(=O)N[C@H](C)CCCC(C)(C)O)c1 ZINC000426722668 257956971 /nfs/dbraw/zinc/95/69/71/257956971.db2.gz QYCCSJBCNMHMGG-MRXNPFEDSA-N 0 0 340.467 4.117 50 0 EIAARN CCc1cnc(C)nc1-c1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC000426518315 257965739 /nfs/dbraw/zinc/96/57/39/257965739.db2.gz LLGGWHPVLFVGDT-AWEZNQCLSA-N 0 0 349.434 4.441 50 0 EIAARN Cc1ncc(C(=O)N2CC[C@@H]2c2cccs2)c(-c2ccccc2)n1 ZINC000426370224 257970687 /nfs/dbraw/zinc/97/06/87/257970687.db2.gz CAFJSAIGFLBUIF-MRXNPFEDSA-N 0 0 335.432 4.101 50 0 EIAARN O=C(NCc1nc2ccccc2s1)[C@H]1SCCc2sccc21 ZINC000079432001 257972941 /nfs/dbraw/zinc/97/29/41/257972941.db2.gz XUBVSDICSYAGBT-HNNXBMFYSA-N 0 0 346.502 4.005 50 0 EIAARN O=C(c1csc(Br)c1)N(CC(F)(F)F)C1CCC1 ZINC000267404860 257943070 /nfs/dbraw/zinc/94/30/70/257943070.db2.gz SULPFHWHZAPSCU-UHFFFAOYSA-N 0 0 342.180 4.068 50 0 EIAARN CC1(C)CCC(CC(=O)N2CCC(F)(c3ccccn3)CC2)CC1 ZINC000328591677 258044245 /nfs/dbraw/zinc/04/42/45/258044245.db2.gz MEBGYKPIXWUOPQ-UHFFFAOYSA-N 0 0 332.463 4.475 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]21CCC(=O)O1 ZINC000253505515 257998521 /nfs/dbraw/zinc/99/85/21/257998521.db2.gz XBSQQVJXPODPRW-UORBNBSKSA-N 0 0 344.495 4.386 50 0 EIAARN O=C(c1cncc2ccccc21)N(Cc1ccco1)c1ccccn1 ZINC000330032453 258002559 /nfs/dbraw/zinc/00/25/59/258002559.db2.gz NEYRIQLQISKQGF-UHFFFAOYSA-N 0 0 329.359 4.070 50 0 EIAARN CC(C)(C)[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000334161477 258016086 /nfs/dbraw/zinc/01/60/86/258016086.db2.gz BFJJLKYIUNHFBD-INIZCTEOSA-N 0 0 335.407 4.254 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)N(C)Cc1ccnc(C)c1 ZINC000299771074 258083651 /nfs/dbraw/zinc/08/36/51/258083651.db2.gz RTFWKVIIJCLKOJ-UHFFFAOYSA-N 0 0 341.455 4.360 50 0 EIAARN CC(C)n1nccc1NC(=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC000299772076 258083890 /nfs/dbraw/zinc/08/38/90/258083890.db2.gz YUHJQSCLBYSNHZ-UHFFFAOYSA-N 0 0 336.439 4.057 50 0 EIAARN Cc1ccc(Cl)c(C)c1NC(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000299772826 258084703 /nfs/dbraw/zinc/08/47/03/258084703.db2.gz 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/nfs/dbraw/zinc/04/85/21/258048521.db2.gz NCEZRNPRCORQAF-LBPRGKRZSA-N 0 0 330.428 4.466 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000000464863 258048530 /nfs/dbraw/zinc/04/85/30/258048530.db2.gz FAWJCLLZEJUCDI-UHFFFAOYSA-N 0 0 346.814 4.195 50 0 EIAARN CC1(C)Cc2nc(NC(=O)CSc3ccccc3)sc2C(=O)C1 ZINC000000465391 258048583 /nfs/dbraw/zinc/04/85/83/258048583.db2.gz SLYUAJPVTZXZMT-UHFFFAOYSA-N 0 0 346.477 4.029 50 0 EIAARN Cc1cc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2)no1 ZINC000002539540 258049820 /nfs/dbraw/zinc/04/98/20/258049820.db2.gz OLYABEZZRUARAD-UHFFFAOYSA-N 0 0 329.743 4.076 50 0 EIAARN CSc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CO)cc1 ZINC000002541930 258049829 /nfs/dbraw/zinc/04/98/29/258049829.db2.gz PSNUDGLEAOHRRU-UHFFFAOYSA-N 0 0 330.840 4.407 50 0 EIAARN CSc1ccc(-c2nn(-c3cccc(Cl)c3)cc2CO)cc1 ZINC000002541934 258049891 /nfs/dbraw/zinc/04/98/91/258049891.db2.gz KBTNUJBRJNARDG-UHFFFAOYSA-N 0 0 330.840 4.407 50 0 EIAARN Cc1nc2sccc2c(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000004313348 258050949 /nfs/dbraw/zinc/05/09/49/258050949.db2.gz NZILAWPSGGEWDJ-UHFFFAOYSA-N 0 0 349.868 4.384 50 0 EIAARN CCc1ccccc1N(CC)C(=O)Nc1cn(C)c(=O)c2ccccc12 ZINC000006932379 258052282 /nfs/dbraw/zinc/05/22/82/258052282.db2.gz ZZUZKKJFYAMPDK-UHFFFAOYSA-N 0 0 349.434 4.159 50 0 EIAARN CCc1cccc(NC(=O)CNc2ccc(Br)cc2)c1 ZINC000007277504 258052778 /nfs/dbraw/zinc/05/27/78/258052778.db2.gz MUPKSWBNXJGFFY-UHFFFAOYSA-N 0 0 333.229 4.062 50 0 EIAARN COc1ccc(C(=O)CN(c2ccccc2)C2=NCCCCC2)cc1 ZINC000007275437 258052832 /nfs/dbraw/zinc/05/28/32/258052832.db2.gz PSWKGROBCXUFLJ-UHFFFAOYSA-N 0 0 336.435 4.357 50 0 EIAARN c1csc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)c1 ZINC000012534193 258054498 /nfs/dbraw/zinc/05/44/98/258054498.db2.gz QOTQNBVLGINKRG-UHFFFAOYSA-N 0 0 341.505 4.194 50 0 EIAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3c(C)cc(C)cc3Cl)c12 ZINC000012879863 258055467 /nfs/dbraw/zinc/05/54/67/258055467.db2.gz YLQGRDPIUANZIL-UHFFFAOYSA-N 0 0 342.830 4.108 50 0 EIAARN O=C(Cc1csc(-c2cccs2)n1)N1CCc2sccc2C1 ZINC000032883749 258059127 /nfs/dbraw/zinc/05/91/27/258059127.db2.gz ZNCNYUFOYNFIKN-UHFFFAOYSA-N 0 0 346.502 4.061 50 0 EIAARN CC(C)CSCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000039983354 258059428 /nfs/dbraw/zinc/05/94/28/258059428.db2.gz YNIHWSOSDDEZNR-QGZVFWFLSA-N 0 0 337.485 4.482 50 0 EIAARN O=c1oc2cc(Cl)ccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000039984206 258059435 /nfs/dbraw/zinc/05/94/35/258059435.db2.gz GOWPZDQPQVXQIM-UHFFFAOYSA-N 0 0 327.689 4.315 50 0 EIAARN O=S(=O)(c1ccc2ccccc2c1)n1c2ccccc2[nH]c1=S ZINC000072210125 258064481 /nfs/dbraw/zinc/06/44/81/258064481.db2.gz KWEBFWVDPNMMTB-UHFFFAOYSA-N 0 0 340.429 4.089 50 0 EIAARN Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000072313523 258064953 /nfs/dbraw/zinc/06/49/53/258064953.db2.gz CLBVONFBMIZNKH-SFHVURJKSA-N 0 0 337.467 4.042 50 0 EIAARN C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc2ccccc2c1 ZINC000089905141 258066349 /nfs/dbraw/zinc/06/63/49/258066349.db2.gz CKCDNXWBTFMCGW-ZDUSSCGKSA-N 0 0 347.370 4.089 50 0 EIAARN Cc1ccccc1-c1nnc(CNc2ccc3c(c2)C(=O)CCC3)o1 ZINC000095414901 258067100 /nfs/dbraw/zinc/06/71/00/258067100.db2.gz RNCGEPMCJANPDR-UHFFFAOYSA-N 0 0 333.391 4.176 50 0 EIAARN Cc1csc(-c2cccc(C(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)c2)n1 ZINC000095459014 258067202 /nfs/dbraw/zinc/06/72/02/258067202.db2.gz RKDUDMXRIAJLKD-IAGOWNOFSA-N 0 0 344.480 4.052 50 0 EIAARN Cc1nccn1CCN(C)C(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000299758852 258076124 /nfs/dbraw/zinc/07/61/24/258076124.db2.gz QZFGHXQGIKLKNA-UHFFFAOYSA-N 0 0 340.471 4.403 50 0 EIAARN CN(CC1(CO)CCC1)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000299762423 258079591 /nfs/dbraw/zinc/07/95/91/258079591.db2.gz WCEFNMNMQRWFFP-UHFFFAOYSA-N 0 0 340.423 4.105 50 0 EIAARN CCn1cc(-c2cccc(C(=O)N(C)[C@H](C)c3cccs3)c2)cn1 ZINC000299767184 258082216 /nfs/dbraw/zinc/08/22/16/258082216.db2.gz HAZBDKYZMPIJAG-CQSZACIVSA-N 0 0 339.464 4.465 50 0 EIAARN Cc1[nH]c2ccccc2c1C1CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000052511502 132183832 /nfs/dbraw/zinc/18/38/32/132183832.db2.gz ALBHNLHVKXQFSP-UHFFFAOYSA-N 0 0 342.830 4.009 50 0 EIAARN Cc1cccc(CN2CCN(c3cc(Cl)ccc3C)C(=O)[C@H]2C)c1 ZINC000037521640 132395484 /nfs/dbraw/zinc/39/54/84/132395484.db2.gz OYVJZZBEIVNYTI-MRXNPFEDSA-N 0 0 342.870 4.194 50 0 EIAARN CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000040150748 132399051 /nfs/dbraw/zinc/39/90/51/132399051.db2.gz UUBYGJNIQBUSJP-GOSISDBHSA-N 0 0 337.467 4.279 50 0 EIAARN O=c1[nH]ncc(N2CCC(c3cccc4ccccc43)CC2)c1Cl ZINC000058544800 132804465 /nfs/dbraw/zinc/80/44/65/132804465.db2.gz QVULIKBASMUOLS-UHFFFAOYSA-N 0 0 339.826 4.373 50 0 EIAARN O=C(/C=C\c1ccc2c(c1)CCO2)Nc1ccc(N2CCCCC2)cc1 ZINC000096401408 135643091 /nfs/dbraw/zinc/64/30/91/135643091.db2.gz GZEJBSAJCWTNDE-WZUFQYTHSA-N 0 0 348.446 4.264 50 0 EIAARN O=C(CN1CCCc2ccccc21)Nc1ccc(SC(F)F)cc1 ZINC000005638171 135672432 /nfs/dbraw/zinc/67/24/32/135672432.db2.gz IUANNSKFJCBYRD-UHFFFAOYSA-N 0 0 348.418 4.393 50 0 EIAARN CCc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000006714460 135675613 /nfs/dbraw/zinc/67/56/13/135675613.db2.gz XCSKESMSBCAXBA-UHFFFAOYSA-N 0 0 343.858 4.257 50 0 EIAARN CCc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)s1 ZINC000013744443 135702596 /nfs/dbraw/zinc/70/25/96/135702596.db2.gz MVASMBZGTYPAMX-UHFFFAOYSA-N 0 0 348.899 4.235 50 0 EIAARN Cc1cc(CNc2ccccc2OC(F)(F)F)ccc1-n1cncn1 ZINC000158387871 225003613 /nfs/dbraw/zinc/00/36/13/225003613.db2.gz IZMMBYQQBQESGL-UHFFFAOYSA-N 0 0 348.328 4.086 50 0 EIAARN C[C@H](C(=O)Nc1nc2c(ccc3ccccc23)s1)C1CCOCC1 ZINC000164809637 226099446 /nfs/dbraw/zinc/09/94/46/226099446.db2.gz JCEMHLOEWVVHAE-LBPRGKRZSA-N 0 0 340.448 4.451 50 0 EIAARN CC(=O)c1ccc(NC(=O)Nc2c(C)noc2C2CC2)cc1Cl ZINC000122402365 222079297 /nfs/dbraw/zinc/07/92/97/222079297.db2.gz GAVKKLJSVPJAAE-UHFFFAOYSA-N 0 0 333.775 4.360 50 0 EIAARN C[C@H](Sc1nnnn1-c1ccc(O)cc1)c1cccc2ccccc21 ZINC000063416002 262529937 /nfs/dbraw/zinc/52/99/37/262529937.db2.gz YZAUIZHFJJQWFO-ZDUSSCGKSA-N 0 0 348.431 4.374 50 0 EIAARN COc1cccc2c1CCCCN2C(=O)c1coc(-c2ccccc2)n1 ZINC000129121944 533850099 /nfs/dbraw/zinc/85/00/99/533850099.db2.gz WDMYHXCBBSKXIE-UHFFFAOYSA-N 0 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COc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000000213251 563261456 /nfs/dbraw/zinc/26/14/56/563261456.db2.gz LLDCPVXDKIWVQP-UHFFFAOYSA-N 0 0 349.312 4.376 50 0 EIAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000000217185 563261994 /nfs/dbraw/zinc/26/19/94/563261994.db2.gz IJNHTASYCHKLAZ-AWEZNQCLSA-N 0 0 334.419 4.439 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc1 ZINC000000217841 563262272 /nfs/dbraw/zinc/26/22/72/563262272.db2.gz FLDBVFFMMYXGQD-UHFFFAOYSA-N 0 0 334.419 4.439 50 0 EIAARN Cc1ccc(CN2c3ccccc3C(c3ccccc3)=NCC2=O)cc1 ZINC000000221185 563262641 /nfs/dbraw/zinc/26/26/41/563262641.db2.gz AKHJDZVBFHMWQC-UHFFFAOYSA-N 0 0 340.426 4.379 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccco1 ZINC000000238090 563264568 /nfs/dbraw/zinc/26/45/68/563264568.db2.gz JZIXBNDCVQQXDY-UHFFFAOYSA-N 0 0 338.338 4.232 50 0 EIAARN CCOc1ccccc1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000000249686 563266523 /nfs/dbraw/zinc/26/65/23/563266523.db2.gz AKVCYRSDOUTHON-UHFFFAOYSA-N 0 0 331.441 4.237 50 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333.815 4.490 50 0 EIAARN O=C(OC1CCCC1)c1ccc(Br)cc1Br ZINC000000363891 563295004 /nfs/dbraw/zinc/29/50/04/563295004.db2.gz PJSDARSBFFEHNB-UHFFFAOYSA-N 0 0 348.034 4.311 50 0 EIAARN Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3C)sc2c1 ZINC000000365091 563296007 /nfs/dbraw/zinc/29/60/07/563296007.db2.gz OSXRFADDLOHOOK-ZDUSSCGKSA-N 0 0 326.421 4.319 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000000376325 563298999 /nfs/dbraw/zinc/29/89/99/563298999.db2.gz PPWVXVHCWMSQBI-JTQLQIEISA-N 0 0 325.742 4.333 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1C ZINC000000380225 563299722 /nfs/dbraw/zinc/29/97/22/563299722.db2.gz PLVJOEQPOZVDTB-UHFFFAOYSA-N 0 0 347.208 4.106 50 0 EIAARN COc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000384130 563300897 /nfs/dbraw/zinc/30/08/97/563300897.db2.gz IYFFRHUOOJIBNK-NRFANRHFSA-N 0 0 346.382 4.476 50 0 EIAARN C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 ZINC000000384374 563301287 /nfs/dbraw/zinc/30/12/87/563301287.db2.gz KLIGXSGVUOCCJC-GFCCVEGCSA-N 0 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PGVJWOQWIJCVBV-UHFFFAOYSA-N 0 0 328.364 4.451 50 0 EIAARN Cc1ccc(C(=O)c2ccccc2)c(NC(=O)COc2ccccc2)c1 ZINC000000406706 563306999 /nfs/dbraw/zinc/30/69/99/563306999.db2.gz BMRQNHKGTIHHOA-UHFFFAOYSA-N 0 0 345.398 4.244 50 0 EIAARN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc3ccccc32)[NH2+]1 ZINC000000408722 563307723 /nfs/dbraw/zinc/30/77/23/563307723.db2.gz VZLUBLQTLIFDKP-VQTJNVASSA-N 0 0 342.398 4.009 50 0 biogenic EIAARN Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c1C ZINC000000413858 563308364 /nfs/dbraw/zinc/30/83/64/563308364.db2.gz MXCCJNYQNHSQIC-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425719 563310042 /nfs/dbraw/zinc/31/00/42/563310042.db2.gz OSNQPJXDSVNGJF-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3ccc(F)cc3F)c2C1 ZINC000000426631 563310578 /nfs/dbraw/zinc/31/05/78/563310578.db2.gz FTTRARDKZPWKFX-SNVBAGLBSA-N 0 0 334.366 4.356 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)COc1ccccc1Cl ZINC000000436162 563313282 /nfs/dbraw/zinc/31/32/82/563313282.db2.gz YRZNMTRUQVJYEE-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)cc2)c1 ZINC000000444355 563316040 /nfs/dbraw/zinc/31/60/40/563316040.db2.gz LRXYTGBNPCUAMZ-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN O=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000000446192 563317285 /nfs/dbraw/zinc/31/72/85/563317285.db2.gz IODNBYBZEIGTHI-UHFFFAOYSA-N 0 0 327.181 4.114 50 0 EIAARN O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)CCCCC3 ZINC000000447814 563318004 /nfs/dbraw/zinc/31/80/04/563318004.db2.gz ZCPNPFBDYUPJBH-UHFFFAOYSA-N 0 0 328.462 4.379 50 0 EIAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(C)c(C)c1 ZINC000000450436 563319314 /nfs/dbraw/zinc/31/93/14/563319314.db2.gz XUBPKTWLIFNLTP-UHFFFAOYSA-N 0 0 338.432 4.485 50 0 EIAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2Cl)c1 ZINC000000454430 563322861 /nfs/dbraw/zinc/32/28/61/563322861.db2.gz LOHNMYUERXTUHZ-UHFFFAOYSA-N 0 0 348.855 4.254 50 0 EIAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(C)cc2)c1 ZINC000000456705 563324269 /nfs/dbraw/zinc/32/42/69/563324269.db2.gz YKTDCUHUEMXWTM-CYBMUJFWSA-N 0 0 342.464 4.341 50 0 EIAARN CCOc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 ZINC000000459050 563325454 /nfs/dbraw/zinc/32/54/54/563325454.db2.gz GJYAXPZFLHGBSL-DHZHZOJOSA-N 0 0 346.224 4.500 50 0 EIAARN COc1ccccc1Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000463406 563327395 /nfs/dbraw/zinc/32/73/95/563327395.db2.gz WBVUWWZPLHVZDN-UHFFFAOYSA-N 0 0 345.354 4.288 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(O)c3)cc12 ZINC000000463775 563327909 /nfs/dbraw/zinc/32/79/09/563327909.db2.gz VLEKUAHIZAVEHJ-UHFFFAOYSA-N 0 0 349.415 4.353 50 0 EIAARN CCCC(=O)Nc1ccccc1NC(=O)COc1cc(C)cc(C)c1 ZINC000000467038 563328780 /nfs/dbraw/zinc/32/87/80/563328780.db2.gz UFORSPHLHMXDJJ-UHFFFAOYSA-N 0 0 340.423 4.060 50 0 EIAARN CCOc1ccc(-n2c(SCC)nnc2-c2ccccc2)cc1 ZINC000000469434 563330181 /nfs/dbraw/zinc/33/01/81/563330181.db2.gz KHVOLJPMPWICEO-UHFFFAOYSA-N 0 0 325.437 4.445 50 0 EIAARN O=C(COc1ccccc1Cl)c1ccc(Br)cc1 ZINC000000473588 563332846 /nfs/dbraw/zinc/33/28/46/563332846.db2.gz QPPKQOYYKKVJJB-UHFFFAOYSA-N 0 0 325.589 4.364 50 0 EIAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCC3 ZINC000000477684 563335422 /nfs/dbraw/zinc/33/54/22/563335422.db2.gz WBRDXBDBZNITOZ-UHFFFAOYSA-N 0 0 342.489 4.356 50 0 EIAARN COc1cccc2cc(C(=O)Nc3cccc(Cl)c3C)c(=O)oc21 ZINC000000478691 563335749 /nfs/dbraw/zinc/33/57/49/563335749.db2.gz PTGHGXIKRJITMU-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@H]1CCCO1 ZINC000000483936 563337806 /nfs/dbraw/zinc/33/78/06/563337806.db2.gz LYLIYECAEZMBJK-GFCCVEGCSA-N 0 0 343.235 4.234 50 0 EIAARN COc1ccccc1-c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)o1 ZINC000000502619 563339046 /nfs/dbraw/zinc/33/90/46/563339046.db2.gz POHASHOTFWRJLH-GHRIWEEISA-N 0 0 345.354 4.300 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1ccccc1 ZINC000000505095 563339287 /nfs/dbraw/zinc/33/92/87/563339287.db2.gz UXVWLVMWMLFWIZ-LBPRGKRZSA-N 0 0 338.234 4.120 50 0 EIAARN O=C([C@@H]1COc2ccccc2O1)N(c1ccccc1)c1ccccc1 ZINC000000507371 563339298 /nfs/dbraw/zinc/33/92/98/563339298.db2.gz JETAYAQTYKCPDR-FQEVSTJZSA-N 0 0 331.371 4.191 50 0 EIAARN COc1ccc(O[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000000514514 563340010 /nfs/dbraw/zinc/34/00/10/563340010.db2.gz UUNPIPBHWVWDLE-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN O=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000523570 563340721 /nfs/dbraw/zinc/34/07/21/563340721.db2.gz WINOCSBMRDIJFZ-UHFFFAOYSA-N 0 0 343.386 4.247 50 0 EIAARN c1ccc2c(c1)nc(N1CCCC1)nc2NC1C2CC3CC(C2)CC1C3 ZINC000000529686 563342465 /nfs/dbraw/zinc/34/24/65/563342465.db2.gz ZEQOXUZGKJREFX-UHFFFAOYSA-N 0 0 348.494 4.467 50 0 EIAARN COc1ccccc1-c1nnc2sc(-c3ccccc3Cl)nn21 ZINC000000531520 563342782 /nfs/dbraw/zinc/34/27/82/563342782.db2.gz OUUPYYHRIWUIJY-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN CCOc1ccc(-c2nnc3sc(-c4ccccc4C)nn32)cc1 ZINC000000532130 563343063 /nfs/dbraw/zinc/34/30/63/563343063.db2.gz OQVGAVORGKPDBJ-UHFFFAOYSA-N 0 0 336.420 4.227 50 0 EIAARN O=C(NCC[C@@H](c1ccco1)c1ccc(F)cc1)c1cccs1 ZINC000000550843 563344777 /nfs/dbraw/zinc/34/47/77/563344777.db2.gz MPNZKURRHZODRC-OAHLLOKOSA-N 0 0 329.396 4.432 50 0 EIAARN COc1ccccc1-c1nn2c(nnc2-c2ccc(Cl)cc2)s1 ZINC000000553846 563345185 /nfs/dbraw/zinc/34/51/85/563345185.db2.gz QGDKYPVLPRQOQQ-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1F ZINC000000577603 563350794 /nfs/dbraw/zinc/35/07/94/563350794.db2.gz UBSZMYWTAWHIAF-UHFFFAOYSA-N 0 0 337.379 4.454 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000610121 563353442 /nfs/dbraw/zinc/35/34/42/563353442.db2.gz WUPWNVBDAPCJAX-UHFFFAOYSA-N 0 0 337.301 4.308 50 0 EIAARN Cc1ccc2oc(=O)n(CCOc3cc(C)ccc3C(C)C)c2c1 ZINC000000610469 563353705 /nfs/dbraw/zinc/35/37/05/563353705.db2.gz GQXUVRYICOKHND-UHFFFAOYSA-N 0 0 325.408 4.414 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=S)NCCC3=CCCCC3)ccc12 ZINC000000611117 563354204 /nfs/dbraw/zinc/35/42/04/563354204.db2.gz QJAYTEYWMSJYDF-UHFFFAOYSA-N 0 0 342.464 4.278 50 0 EIAARN COc1ccc(Cl)cc1NC(=S)Nc1cccc(NC(C)=O)c1 ZINC000000611212 563354338 /nfs/dbraw/zinc/35/43/38/563354338.db2.gz ZNLGWRLXILWJOP-UHFFFAOYSA-N 0 0 349.843 4.116 50 0 EIAARN Cc1ccc(N2CCN(C(=S)Nc3ccccc3F)C[C@@H]2C)cc1 ZINC000000611746 563354778 /nfs/dbraw/zinc/35/47/78/563354778.db2.gz SZTPOUYEXPEUHZ-HNNXBMFYSA-N 0 0 343.471 4.042 50 0 EIAARN O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000000612998 563355749 /nfs/dbraw/zinc/35/57/49/563355749.db2.gz KZGUCZLFFMKZBV-UHFFFAOYSA-N 0 0 333.313 4.153 50 0 EIAARN COC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000000613657 563356402 /nfs/dbraw/zinc/35/64/02/563356402.db2.gz MYKRUZTYVRRDGX-UHFFFAOYSA-N 0 0 344.208 4.239 50 0 EIAARN O=C(Cc1ccccc1)OCc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000000618245 563359946 /nfs/dbraw/zinc/35/99/46/563359946.db2.gz ZBNIPECCBRXJNS-UHFFFAOYSA-N 0 0 346.382 4.192 50 0 EIAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2c1 ZINC000000848948 563364408 /nfs/dbraw/zinc/36/44/08/563364408.db2.gz OEXDDQSHGYFOCH-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN Cc1ccc(C)c(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000000859112 563365191 /nfs/dbraw/zinc/36/51/91/563365191.db2.gz GQFOWJYZOWCLKD-UHFFFAOYSA-N 0 0 337.463 4.164 50 0 EIAARN CC(=O)Nc1nc2c(cc(NC(=O)C3CCCCC3)cc2C)s1 ZINC000000912053 563365893 /nfs/dbraw/zinc/36/58/93/563365893.db2.gz YJBCAMXPYLKZLC-UHFFFAOYSA-N 0 0 331.441 4.082 50 0 EIAARN CCOC(=O)c1c(Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000000977703 563367079 /nfs/dbraw/zinc/36/70/79/563367079.db2.gz QDMHMSXNXRVICD-UHFFFAOYSA-N 0 0 337.762 4.276 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 ZINC000001052492 563370391 /nfs/dbraw/zinc/37/03/91/563370391.db2.gz KWSOBMOSZVNOAP-UHFFFAOYSA-N 0 0 335.407 4.140 50 0 EIAARN O=C(NCc1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000001056259 563371106 /nfs/dbraw/zinc/37/11/06/563371106.db2.gz WKGOSRJDSAYJSH-OAQYLSRUSA-N 0 0 327.427 4.309 50 0 EIAARN COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000001063711 563372159 /nfs/dbraw/zinc/37/21/59/563372159.db2.gz JYSFKLKQHIECIW-UHFFFAOYSA-N 0 0 339.322 4.125 50 0 EIAARN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000001064727 563372554 /nfs/dbraw/zinc/37/25/54/563372554.db2.gz IDNLLMZOCREZNH-UHFFFAOYSA-N 0 0 327.858 4.171 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)cs1)NC1CCCCC1 ZINC000001104171 563374604 /nfs/dbraw/zinc/37/46/04/563374604.db2.gz IZSXFABQZCDOPM-UHFFFAOYSA-N 0 0 332.494 4.351 50 0 EIAARN c1ccc2sc(CSc3nnc(-c4cccnc4)o3)nc2c1 ZINC000006100099 563378385 /nfs/dbraw/zinc/37/83/85/563378385.db2.gz RJXFKYRURBLJNP-UHFFFAOYSA-N 0 0 326.406 4.034 50 0 EIAARN O=C(Cc1cccs1)Nc1ccccc1NC(=O)C1CCCC1 ZINC000071884311 563379819 /nfs/dbraw/zinc/37/98/19/563379819.db2.gz PBZGQCVAWJOEIU-UHFFFAOYSA-N 0 0 328.437 4.058 50 0 EIAARN Cc1cccc(N2C(=O)S[C@H](Nc3ccc(Cl)cc3)C2=O)c1 ZINC000001228255 563380297 /nfs/dbraw/zinc/38/02/97/563380297.db2.gz RCDCHYMSCOUPRX-AWEZNQCLSA-N 0 0 332.812 4.286 50 0 EIAARN CCOc1ccc(N[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000001227440 563380326 /nfs/dbraw/zinc/38/03/26/563380326.db2.gz DPWPLOZELCBIPD-MRXNPFEDSA-N 0 0 342.420 4.032 50 0 EIAARN CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000001225992 563380365 /nfs/dbraw/zinc/38/03/65/563380365.db2.gz KUOGOBFNEMDHFE-IBGZPJMESA-N 0 0 347.414 4.200 50 0 EIAARN CCOc1ccc(N[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001232449 563380615 /nfs/dbraw/zinc/38/06/15/563380615.db2.gz JKVZTIWSZPZDIB-MRXNPFEDSA-N 0 0 342.420 4.032 50 0 EIAARN O=C(NCCc1ccccc1)c1ccccc1CCc1ccccc1 ZINC000001235671 563381060 /nfs/dbraw/zinc/38/10/60/563381060.db2.gz MMLDIUCPVNDIOR-UHFFFAOYSA-N 0 0 329.443 4.444 50 0 EIAARN Cc1cccc(C2=NNC(=O)[C@H](c3ccc(Cl)cc3Cl)C2)c1 ZINC000001397718 563386997 /nfs/dbraw/zinc/38/69/97/563386997.db2.gz KVJPLHKJMJEIGB-AWEZNQCLSA-N 0 0 333.218 4.310 50 0 EIAARN COc1ccccc1C(=O)Nc1c(C)cc(Br)cc1C ZINC000001410876 563388119 /nfs/dbraw/zinc/38/81/19/563388119.db2.gz MBAWOCYLSWCWEY-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN CCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000001441596 563389629 /nfs/dbraw/zinc/38/96/29/563389629.db2.gz JYJIGRPKUKINHG-UHFFFAOYSA-N 0 0 335.856 4.044 50 0 EIAARN CCCCOc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000001777880 563411175 /nfs/dbraw/zinc/41/11/75/563411175.db2.gz VDKWHUGMSUTWGY-UHFFFAOYSA-N 0 0 329.396 4.135 50 0 EIAARN CC(=O)c1cccc(NC(=O)CCCOc2cc(C)ccc2C)c1 ZINC000001779271 563411582 /nfs/dbraw/zinc/41/15/82/563411582.db2.gz LNFARZMVWUSNMG-UHFFFAOYSA-N 0 0 325.408 4.304 50 0 EIAARN O=C1c2ccccc2N(C2c3ccccc3Oc3ccccc32)C1=O ZINC000001816297 563413550 /nfs/dbraw/zinc/41/35/50/563413550.db2.gz LFIOSDOPRSPXQO-UHFFFAOYSA-N 0 0 327.339 4.111 50 0 EIAARN Fc1ccc(C2(c3nnc(-c4ccccc4F)o3)CCOCC2)cc1 ZINC000071889779 563417196 /nfs/dbraw/zinc/41/71/96/563417196.db2.gz ZLYSFMYOGCIVAB-UHFFFAOYSA-N 0 0 342.345 4.111 50 0 EIAARN CCCCn1cnc2cc(NCc3nc4ccccc4n3C)ccc21 ZINC000002073199 563421426 /nfs/dbraw/zinc/42/14/26/563421426.db2.gz AQQLOYQOLNJIOG-UHFFFAOYSA-N 0 0 333.439 4.335 50 0 EIAARN CC(=O)Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1 ZINC000002124321 563423050 /nfs/dbraw/zinc/42/30/50/563423050.db2.gz QCUVQIIXCUQKKF-UHFFFAOYSA-N 0 0 331.441 4.123 50 0 EIAARN O=C(NCCOc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 ZINC000002284310 563428362 /nfs/dbraw/zinc/42/83/62/563428362.db2.gz YOBZIQYBBYFYCE-UHFFFAOYSA-N 0 0 349.405 4.153 50 0 EIAARN COc1ccc(COc2ccc3c(c2)oc(=O)c2c3CCCC2)cc1 ZINC000002434592 563431926 /nfs/dbraw/zinc/43/19/26/563431926.db2.gz YFAIWWNUMQHALX-UHFFFAOYSA-N 0 0 336.387 4.259 50 0 EIAARN COc1ccc(-c2nnc(SCc3cccc(C)c3)n2C)cc1 ZINC000002443770 563432416 /nfs/dbraw/zinc/43/24/16/563432416.db2.gz MTNQSHNSUDYRPZ-UHFFFAOYSA-N 0 0 325.437 4.091 50 0 EIAARN CCn1c2ccccc2nc1NCc1ccc(Br)cc1 ZINC000002478053 563433450 /nfs/dbraw/zinc/43/34/50/563433450.db2.gz SEJKMCGLOVSKCJ-UHFFFAOYSA-N 0 0 330.229 4.431 50 0 EIAARN O=C1C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 ZINC000002508540 563434953 /nfs/dbraw/zinc/43/49/53/563434953.db2.gz AYQIJHRKAZYGGX-UHFFFAOYSA-N 0 0 339.700 4.088 50 0 EIAARN O=C(c1cccc(CN2CCSCC2)c1)c1cc(F)cc(Cl)c1 ZINC000002515304 563436361 /nfs/dbraw/zinc/43/63/61/563436361.db2.gz DGEZMUWQXWUGOG-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN CSc1ccc(-c2nn(-c3ccc(F)cc3F)cc2CO)cc1 ZINC000002544981 563440490 /nfs/dbraw/zinc/44/04/90/563440490.db2.gz NUNVWIZKTBLPEM-UHFFFAOYSA-N 0 0 332.375 4.032 50 0 EIAARN Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CCC2 ZINC000002558472 563441199 /nfs/dbraw/zinc/44/11/99/563441199.db2.gz UHHHXUKDIAKLAZ-UHFFFAOYSA-N 0 0 326.343 4.090 50 0 EIAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccccc1 ZINC000002572443 563442576 /nfs/dbraw/zinc/44/25/76/563442576.db2.gz ACUYZILXZGMZSY-KRWDZBQOSA-N 0 0 325.408 4.005 50 0 EIAARN Nc1nccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1 ZINC000002597330 563443842 /nfs/dbraw/zinc/44/38/42/563443842.db2.gz OWABNTQCLHYKEQ-UHFFFAOYSA-N 0 0 329.762 4.097 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000002637431 563444780 /nfs/dbraw/zinc/44/47/80/563444780.db2.gz HUKODFYMUDQLAB-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN O=c1oc2ccccc2n1Cc1ccccc1OCc1ccccc1 ZINC000002706845 563446600 /nfs/dbraw/zinc/44/66/00/563446600.db2.gz UUQYRKAWCRTLEW-UHFFFAOYSA-N 0 0 331.371 4.222 50 0 EIAARN CCCn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000002721487 563447029 /nfs/dbraw/zinc/44/70/29/563447029.db2.gz GDOSLPDCRSNJOL-UHFFFAOYSA-N 0 0 335.451 4.117 50 0 EIAARN CC(C)CNC(=O)c1cc2sccc2n1CCc1ccccc1 ZINC000034680226 563449548 /nfs/dbraw/zinc/44/95/48/563449548.db2.gz ZBIMFUSEEWXAKM-UHFFFAOYSA-N 0 0 326.465 4.331 50 0 EIAARN O=C(CSc1nc2ccccc2o1)Nc1ccc(F)c(Cl)c1 ZINC000002771254 563450218 /nfs/dbraw/zinc/45/02/18/563450218.db2.gz UGTIFLFMNOACPR-UHFFFAOYSA-N 0 0 336.775 4.351 50 0 EIAARN Cc1ccccc1OCCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002828106 563453328 /nfs/dbraw/zinc/45/33/28/563453328.db2.gz SJJDJTKTBHAXJP-UHFFFAOYSA-N 0 0 339.313 4.301 50 0 EIAARN Clc1ccc([C@@H]2C[C@H](c3ccco3)n3ncnc3N2)c(Cl)c1 ZINC000002842106 563454645 /nfs/dbraw/zinc/45/46/45/563454645.db2.gz VSTJKGRMCFCGAH-QWHCGFSZSA-N 0 0 335.194 4.324 50 0 EIAARN COc1ccc(NC(=S)NCCCCc2ccccc2)cc1OC ZINC000002854962 563456156 /nfs/dbraw/zinc/45/61/56/563456156.db2.gz XJROCGILPBIZCA-UHFFFAOYSA-N 0 0 344.480 4.013 50 0 EIAARN COc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c(OC)c1 ZINC000002854081 563456160 /nfs/dbraw/zinc/45/61/60/563456160.db2.gz AXJXSLPOQKYZRV-CQSZACIVSA-N 0 0 344.480 4.368 50 0 EIAARN Fc1cccc(-c2nn3c(nnc3-c3ccccc3Cl)s2)c1 ZINC000002862289 563456984 /nfs/dbraw/zinc/45/69/84/563456984.db2.gz QTHOMPLTMPUMBE-UHFFFAOYSA-N 0 0 330.775 4.312 50 0 EIAARN O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccccc1 ZINC000002865102 563457738 /nfs/dbraw/zinc/45/77/38/563457738.db2.gz REIODYWKYUKWKT-UHFFFAOYSA-N 0 0 338.234 4.469 50 0 EIAARN COCCSc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000002865298 563458092 /nfs/dbraw/zinc/45/80/92/563458092.db2.gz BXRVIBAAXAUZRJ-UHFFFAOYSA-N 0 0 339.819 4.470 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)C2=O)cc1C ZINC000002879792 563460400 /nfs/dbraw/zinc/46/04/00/563460400.db2.gz DSUIVLHMRSDAQF-HNNXBMFYSA-N 0 0 344.414 4.444 50 0 EIAARN COc1ccc(OCCCOc2ccccc2Br)cc1 ZINC000002904849 563463145 /nfs/dbraw/zinc/46/31/45/563463145.db2.gz NVQOTEIOFFEIDD-UHFFFAOYSA-N 0 0 337.213 4.306 50 0 EIAARN CCCC[C@@H](CC)CNC(=O)Cc1ccc(Br)cc1 ZINC000002991760 563468220 /nfs/dbraw/zinc/46/82/20/563468220.db2.gz ZPHLGJLDEASSBL-CYBMUJFWSA-N 0 0 326.278 4.324 50 0 EIAARN O=S(=O)(Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000003042858 563470287 /nfs/dbraw/zinc/47/02/87/563470287.db2.gz KVDKXSWOSZISRI-UHFFFAOYSA-N 0 0 336.627 4.448 50 0 EIAARN Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(F)cc1F ZINC000003116623 563472584 /nfs/dbraw/zinc/47/25/84/563472584.db2.gz JSDQNCFJXXRFCV-UHFFFAOYSA-N 0 0 332.331 4.011 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1 ZINC000003153232 563474843 /nfs/dbraw/zinc/47/48/43/563474843.db2.gz CLAWLKXFKCFUEE-UHFFFAOYSA-N 0 0 349.228 4.275 50 0 EIAARN CCc1[nH]nc(-c2cccs2)c1NC(=O)c1c(F)cccc1F ZINC000034796463 563480626 /nfs/dbraw/zinc/48/06/26/563480626.db2.gz YAAATVAMLMUMCJ-UHFFFAOYSA-N 0 0 333.363 4.231 50 0 EIAARN COc1ccccc1-c1n[nH]c(C2CC2)c1NC(=O)CC(C)(C)C ZINC000034796289 563480654 /nfs/dbraw/zinc/48/06/54/563480654.db2.gz KVZAWRUABHTCLR-UHFFFAOYSA-N 0 0 327.428 4.337 50 0 EIAARN CCc1[nH]nc(-c2cccs2)c1NC(=O)Nc1ccc(OC)cc1 ZINC000034796766 563481167 /nfs/dbraw/zinc/48/11/67/563481167.db2.gz TXBKHHXTCXSDOQ-UHFFFAOYSA-N 0 0 342.424 4.353 50 0 EIAARN CC(C)Cn1c2ccccc2nc1NCCCNC(=O)CC(C)(C)C ZINC000034906833 563481284 /nfs/dbraw/zinc/48/12/84/563481284.db2.gz NIIFQEOTZWIYNX-UHFFFAOYSA-N 0 0 344.503 4.047 50 0 EIAARN CCn1nc(C(=O)NCC2CC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902061 563483897 /nfs/dbraw/zinc/48/38/97/563483897.db2.gz QGDRVWDCFGTDPX-UHFFFAOYSA-N 0 0 325.456 4.007 50 0 EIAARN Cc1ccc2ncn(C3CCN(C(=O)[C@@H]4CCCC[C@H]4C)CC3)c2c1 ZINC000034915374 563484188 /nfs/dbraw/zinc/48/41/88/563484188.db2.gz NQXZPQISRYKKCA-SJLPKXTDSA-N 0 0 339.483 4.335 50 0 EIAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)c1ccco1 ZINC000034913322 563485040 /nfs/dbraw/zinc/48/50/40/563485040.db2.gz ARNKTAARYJVTNT-UHFFFAOYSA-N 0 0 331.375 4.463 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1C ZINC000003481982 563485486 /nfs/dbraw/zinc/48/54/86/563485486.db2.gz ZQALDKQBDLEMOK-SFHVURJKSA-N 0 0 325.408 4.114 50 0 EIAARN CSCc1nc(CNC(=O)N2CCC[C@@H]2c2ccccc2)cs1 ZINC000584904094 563487482 /nfs/dbraw/zinc/48/74/82/563487482.db2.gz CSOCDUPGUXINLF-OAHLLOKOSA-N 0 0 347.509 4.053 50 0 EIAARN Cc1ccc(-c2nc(S[C@H](C)c3nnc(CC(C)C)o3)n[nH]2)cc1 ZINC000071893915 563487888 /nfs/dbraw/zinc/48/78/88/563487888.db2.gz KAKNRWDNDLFRTI-GFCCVEGCSA-N 0 0 343.456 4.215 50 0 EIAARN O[C@H](c1ccccc1Br)C(Cl)(Cl)C(F)(F)F ZINC000003847609 563489378 /nfs/dbraw/zinc/48/93/78/563489378.db2.gz YYCKRUDDFXWNPC-SSDOTTSWSA-N 0 0 337.950 4.219 50 0 EIAARN CCCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1 ZINC000004185928 563497185 /nfs/dbraw/zinc/49/71/85/563497185.db2.gz QQCIYMYFZKHDED-UHFFFAOYSA-N 0 0 329.425 4.414 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1C ZINC000004310103 563499712 /nfs/dbraw/zinc/49/97/12/563499712.db2.gz DNVSMSGUHQECQK-UHFFFAOYSA-N 0 0 332.856 4.392 50 0 EIAARN Cn1c(Sc2ccc(C(F)(F)F)cn2)nnc1-c1ccccc1 ZINC000005588858 563541522 /nfs/dbraw/zinc/54/15/22/563541522.db2.gz XSBNGJJPBCKRIB-UHFFFAOYSA-N 0 0 336.342 4.047 50 0 EIAARN CCOc1ccc(N2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000005781698 563550025 /nfs/dbraw/zinc/55/00/25/563550025.db2.gz PTKJXCYSYXVWSC-UHFFFAOYSA-N 0 0 331.828 4.275 50 0 EIAARN Cc1ccc(S(=O)(=O)CCCCCC(=O)c2ccccc2)cc1 ZINC000005929349 563554691 /nfs/dbraw/zinc/55/46/91/563554691.db2.gz YEUUNRBSAIFVIW-UHFFFAOYSA-N 0 0 330.449 4.212 50 0 EIAARN CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1 ZINC000006349562 563565579 /nfs/dbraw/zinc/56/55/79/563565579.db2.gz ROAQTVUIVUPRIF-UHFFFAOYSA-N 0 0 345.453 4.062 50 0 EIAARN O=C(Nc1ccccc1)Nc1ccc2[nH]c(-c3cscn3)nc2c1 ZINC000006493972 563570376 /nfs/dbraw/zinc/57/03/76/563570376.db2.gz FKUIDEJNJLBZNV-UHFFFAOYSA-N 0 0 335.392 4.330 50 0 EIAARN CC[C@@H](N[C@@H](C(=O)OC)c1ccccc1Cl)c1nc(C)cs1 ZINC000071910803 563576317 /nfs/dbraw/zinc/57/63/17/563576317.db2.gz VVFFZJJRJPOFBX-ZIAGYGMSSA-N 0 0 338.860 4.060 50 0 EIAARN CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000071911040 563577521 /nfs/dbraw/zinc/57/75/21/563577521.db2.gz IKHKYSYHGCEIMI-KBPBESRZSA-N 0 0 330.815 4.264 50 0 EIAARN CN(C(=O)CSc1ncc(-c2ccc(F)cc2)o1)C1=CCCC1 ZINC000042709236 563578249 /nfs/dbraw/zinc/57/82/49/563578249.db2.gz KORZDRXZVXTMNV-UHFFFAOYSA-N 0 0 332.400 4.099 50 0 EIAARN CC(=O)Nc1cccc(-c2nnc(SCc3ccc(F)cc3)o2)c1 ZINC000006697235 563578616 /nfs/dbraw/zinc/57/86/16/563578616.db2.gz FRLNGUHQPDGDCL-UHFFFAOYSA-N 0 0 343.383 4.126 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000006698482 563578928 /nfs/dbraw/zinc/57/89/28/563578928.db2.gz SSJIXUFZQCVUIK-UHFFFAOYSA-N 0 0 331.803 4.275 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(F)c1 ZINC000006700084 563579424 /nfs/dbraw/zinc/57/94/24/563579424.db2.gz RAVFBMBZWNBAHF-UHFFFAOYSA-N 0 0 341.386 4.096 50 0 EIAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc2ccccc2o1 ZINC000006702990 563580801 /nfs/dbraw/zinc/58/08/01/563580801.db2.gz OZWYARHJGVWJCL-UHFFFAOYSA-N 0 0 348.402 4.311 50 0 EIAARN CNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccccc1Cl ZINC000006747585 563585297 /nfs/dbraw/zinc/58/52/97/563585297.db2.gz DKTHWBWTAXVOKV-UHFFFAOYSA-N 0 0 343.770 4.132 50 0 EIAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000006857636 563588985 /nfs/dbraw/zinc/58/89/85/563588985.db2.gz IUINVIYMRNRCMP-SFHVURJKSA-N 0 0 349.459 4.318 50 0 EIAARN O[C@@]1(c2ccccc2)[C@H](c2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000006864461 563589321 /nfs/dbraw/zinc/58/93/21/563589321.db2.gz XQYDCDIWHVZGRN-VABKMULXSA-N 0 0 330.427 4.340 50 0 EIAARN COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000006946042 563592217 /nfs/dbraw/zinc/59/22/17/563592217.db2.gz QSUAFZGUSOOYHO-JTQLQIEISA-N 0 0 340.206 4.408 50 0 EIAARN O=C(NCCCC(F)(F)F)c1cc(Cl)ccc1Br ZINC000231690180 563593075 /nfs/dbraw/zinc/59/30/75/563593075.db2.gz PTESOHJWJXQMCU-UHFFFAOYSA-N 0 0 344.558 4.175 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)CSCCCc1ccccc1 ZINC000002631304 563596467 /nfs/dbraw/zinc/59/64/67/563596467.db2.gz VXXVVSIRIINOJW-MRXNPFEDSA-N 0 0 325.477 4.330 50 0 EIAARN O=C(CCCSc1nc2ccccc2[nH]1)N1CCc2ccccc21 ZINC000002658174 563599372 /nfs/dbraw/zinc/59/93/72/563599372.db2.gz VBGCGMKOMLERRM-UHFFFAOYSA-N 0 0 337.448 4.025 50 0 EIAARN Cc1c(C(=O)Cn2cc(C=O)c3ccccc32)c2ccccc2n1C ZINC000007462942 563602866 /nfs/dbraw/zinc/60/28/66/563602866.db2.gz PLAHQQPYYJWZDR-UHFFFAOYSA-N 0 0 330.387 4.137 50 0 EIAARN Cc1ccc(Cl)c2sc(NC(=O)COc3ccccc3)nc21 ZINC000002713989 563606751 /nfs/dbraw/zinc/60/67/51/563606751.db2.gz LRTOMNZMNCYEFD-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN Cc1nc2ccccc2n1CCc1noc([C@@H](C)c2cccs2)n1 ZINC000097377770 563609346 /nfs/dbraw/zinc/60/93/46/563609346.db2.gz LXMWJOIPZFKMCH-LBPRGKRZSA-N 0 0 338.436 4.184 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)c2ccn(COc3ccccc3)n2)c(C)c1 ZINC000002800438 563615551 /nfs/dbraw/zinc/61/55/51/563615551.db2.gz GPEHKRCXWIVZQB-KRWDZBQOSA-N 0 0 349.434 4.027 50 0 EIAARN CC(=O)c1cccc(NC(=O)CSc2ccc3ccccc3n2)c1 ZINC000002889204 563618342 /nfs/dbraw/zinc/61/83/42/563618342.db2.gz QIROGAYDYZFWKI-UHFFFAOYSA-N 0 0 336.416 4.168 50 0 EIAARN CCOc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1 ZINC000007996299 563618597 /nfs/dbraw/zinc/61/85/97/563618597.db2.gz GHANUSDVSPMIFQ-UHFFFAOYSA-N 0 0 333.438 4.021 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000008160889 563622776 /nfs/dbraw/zinc/62/27/76/563622776.db2.gz WLTQMCAXRKFCAI-SFHVURJKSA-N 0 0 345.826 4.079 50 0 EIAARN Cc1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)oc1C ZINC000008333285 563627203 /nfs/dbraw/zinc/62/72/03/563627203.db2.gz RHFJNULPCUUGPY-UHFFFAOYSA-N 0 0 345.449 4.146 50 0 EIAARN Cc1ccc(CNc2ncnc3onc(-c4ccc(F)cc4)c32)cc1 ZINC000008595157 563633334 /nfs/dbraw/zinc/63/33/34/563633334.db2.gz VTQWKPXPONMPCA-UHFFFAOYSA-N 0 0 334.354 4.344 50 0 EIAARN O=c1nc(SCc2ccccc2)[nH]c2sc3c(c21)CCCC3 ZINC000008742560 563638780 /nfs/dbraw/zinc/63/87/80/563638780.db2.gz IPZMSKIJUYVNKQ-UHFFFAOYSA-N 0 0 328.462 4.156 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000008746086 563639182 /nfs/dbraw/zinc/63/91/82/563639182.db2.gz JRCURHHRCZKMBQ-UHFFFAOYSA-N 0 0 347.399 4.436 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCN(c2ccccc2)C[C@@H]1C ZINC000011667680 563650298 /nfs/dbraw/zinc/65/02/98/563650298.db2.gz BVYACZOWEDCSKK-INIZCTEOSA-N 0 0 348.446 4.401 50 0 EIAARN O=C(C1CCC1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000012595592 563664671 /nfs/dbraw/zinc/66/46/71/563664671.db2.gz JZZXAZSJEWTMSU-NRFANRHFSA-N 0 0 349.474 4.236 50 0 EIAARN CCCOc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012628435 563666173 /nfs/dbraw/zinc/66/61/73/563666173.db2.gz RAFPBZYUNFSKDB-LJQANCHMSA-N 0 0 349.434 4.329 50 0 EIAARN CCCC(=O)Nc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000032623866 563669821 /nfs/dbraw/zinc/66/98/21/563669821.db2.gz WHRNEPWITARIQL-UHFFFAOYSA-N 0 0 337.379 4.151 50 0 EIAARN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1C ZINC000012791824 563671621 /nfs/dbraw/zinc/67/16/21/563671621.db2.gz CGICDSNEXCUKLZ-MELADBBJSA-N 0 0 346.471 4.072 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1F ZINC000012796373 563672796 /nfs/dbraw/zinc/67/27/96/563672796.db2.gz LBXFZOCUXVMLQW-STQMWFEESA-N 0 0 335.806 4.432 50 0 EIAARN CC(C)[C@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccccc1 ZINC000032672087 563676716 /nfs/dbraw/zinc/67/67/16/563676716.db2.gz QDUHPVMHZYRKEX-SFHVURJKSA-N 0 0 345.826 4.089 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c(C)c1 ZINC000012945008 563678506 /nfs/dbraw/zinc/67/85/06/563678506.db2.gz MIKPWBMQFIRGDM-MRXNPFEDSA-N 0 0 325.408 4.114 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc(C)cc(C)c1)O[C@H](C)C2 ZINC000012978458 563680926 /nfs/dbraw/zinc/68/09/26/563680926.db2.gz USKSXKOBMYKFNM-CQSZACIVSA-N 0 0 325.408 4.278 50 0 EIAARN CC(C)(C)c1csc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000012994114 563683089 /nfs/dbraw/zinc/68/30/89/563683089.db2.gz YGNZKYPEIDQKAM-GFCCVEGCSA-N 0 0 336.844 4.036 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012995342 563683367 /nfs/dbraw/zinc/68/33/67/563683367.db2.gz RDCZJGXVOZYEJY-UHFFFAOYSA-N 0 0 337.810 4.267 50 0 EIAARN Cc1ccc(-n2cnn(CN3CCC[C@H](C)C3)c2=S)cc1Cl ZINC000013097636 563687586 /nfs/dbraw/zinc/68/75/86/563687586.db2.gz YEDBDWTXKXAIMF-LBPRGKRZSA-N 0 0 336.892 4.055 50 0 EIAARN COc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1 ZINC000013126450 563689579 /nfs/dbraw/zinc/68/95/79/563689579.db2.gz PHSKGWBKURXITR-UHFFFAOYSA-N 0 0 347.374 4.217 50 0 EIAARN CCc1sc(C(=O)Nc2cccc(C)n2)cc1Br ZINC000013326662 563695367 /nfs/dbraw/zinc/69/53/67/563695367.db2.gz CGXBDVSPEJWNCV-UHFFFAOYSA-N 0 0 325.231 4.029 50 0 EIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000013331831 563696619 /nfs/dbraw/zinc/69/66/19/563696619.db2.gz ARJYYBVNXIJTRL-UHFFFAOYSA-N 0 0 334.891 4.267 50 0 EIAARN CN(CCc1ccccn1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000013686052 563710816 /nfs/dbraw/zinc/71/08/16/563710816.db2.gz XRVVSKJNXPLVSS-UHFFFAOYSA-N 0 0 340.279 4.260 50 0 EIAARN Fc1ccccc1-c1nnc2sc(-c3c[nH]c4ccccc34)nn21 ZINC000013726428 563718714 /nfs/dbraw/zinc/71/87/14/563718714.db2.gz MWIZOTOWWYTKTD-UHFFFAOYSA-N 0 0 335.367 4.140 50 0 EIAARN CCc1ccc([C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000032741329 563721824 /nfs/dbraw/zinc/72/18/24/563721824.db2.gz NILBIJARUBNSFX-FQEVSTJZSA-N 0 0 348.446 4.218 50 0 EIAARN Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)cc1 ZINC000013846180 563726403 /nfs/dbraw/zinc/72/64/03/563726403.db2.gz QXINESDBWLTSFM-BEVDRBHNSA-N 0 0 347.414 4.489 50 0 EIAARN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)CCc1ccccc1 ZINC000013847374 563726510 /nfs/dbraw/zinc/72/65/10/563726510.db2.gz AJLKPGVIAZYLOI-CRAIPNDOSA-N 0 0 329.415 4.121 50 0 EIAARN C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N(C)Cc1ccccc1 ZINC000032754439 563727571 /nfs/dbraw/zinc/72/75/71/563727571.db2.gz RRKJGJPNSHDIRM-MRXNPFEDSA-N 0 0 336.435 4.084 50 0 EIAARN Cc1ccc(-c2noc(CCC(=O)Oc3c(C)cccc3C)n2)cc1 ZINC000032777924 563729060 /nfs/dbraw/zinc/72/90/60/563729060.db2.gz LSMPFHNVWSDIJM-UHFFFAOYSA-N 0 0 336.391 4.200 50 0 EIAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000013942328 563731676 /nfs/dbraw/zinc/73/16/76/563731676.db2.gz IWLLZKDYXHTQMM-QVKFZJNVSA-N 0 0 346.430 4.201 50 0 EIAARN Cc1ccc(N(C(=O)c2cccs2)C(=O)c2cccs2)nc1 ZINC000013944192 563732013 /nfs/dbraw/zinc/73/20/13/563732013.db2.gz XGYJYBHODUAMTC-UHFFFAOYSA-N 0 0 328.418 4.000 50 0 EIAARN Clc1ccc(COc2cccc(CNc3nc[nH]n3)c2)c(Cl)c1 ZINC000013943042 563732114 /nfs/dbraw/zinc/73/21/14/563732114.db2.gz XTEJJMXJCLSVAL-UHFFFAOYSA-N 0 0 349.221 4.303 50 0 EIAARN Cc1cc(NC(=O)CSc2cc(C)c3ccc(C)c(C)c3n2)no1 ZINC000032779197 563732755 /nfs/dbraw/zinc/73/27/55/563732755.db2.gz HSFKQVGMEUXHLD-UHFFFAOYSA-N 0 0 341.436 4.187 50 0 EIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(F)ccc1F ZINC000013961313 563733552 /nfs/dbraw/zinc/73/35/52/563733552.db2.gz FMTGYGCFCUXLCU-UHFFFAOYSA-N 0 0 334.753 4.072 50 0 EIAARN Cc1nn(C(C)C)c2nc(C)cc(C(=O)Nc3cc(F)ccc3F)c12 ZINC000013961342 563733618 /nfs/dbraw/zinc/73/36/18/563733618.db2.gz YHKNGXYBJVIEME-UHFFFAOYSA-N 0 0 344.365 4.160 50 0 EIAARN Cc1cc(SCC(=O)N2CCCC2)nc2c1cccc2C(C)C ZINC000032779172 563734317 /nfs/dbraw/zinc/73/43/17/563734317.db2.gz IUNCZRTVPBVKDB-UHFFFAOYSA-N 0 0 328.481 4.381 50 0 EIAARN O=C(Nc1ccc(F)cc1F)N1CCC(OCc2ccccc2)CC1 ZINC000014016910 563735696 /nfs/dbraw/zinc/73/56/96/563735696.db2.gz LZRUZDFDDUTECU-UHFFFAOYSA-N 0 0 346.377 4.178 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1cccs1 ZINC000014069329 563737297 /nfs/dbraw/zinc/73/72/97/563737297.db2.gz MJPDRZGJELQGTC-LBPRGKRZSA-N 0 0 325.437 4.042 50 0 EIAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000014077804 563738030 /nfs/dbraw/zinc/73/80/30/563738030.db2.gz BQTSQOFYEIYTMJ-HNNXBMFYSA-N 0 0 342.398 4.294 50 0 EIAARN O=C(NC1CC1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000014079568 563738100 /nfs/dbraw/zinc/73/81/00/563738100.db2.gz XSCUQDWPNOMHID-INIZCTEOSA-N 0 0 337.753 4.017 50 0 EIAARN O=C(NCc1ccccc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000032797299 563738549 /nfs/dbraw/zinc/73/85/49/563738549.db2.gz FOJWYNDPEYATLX-GOSISDBHSA-N 0 0 340.423 4.476 50 0 EIAARN Cc1cnc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)s1 ZINC000014084062 563738594 /nfs/dbraw/zinc/73/85/94/563738594.db2.gz NQXGALHVVDIYKK-UHFFFAOYSA-N 0 0 347.827 4.331 50 0 EIAARN C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccco1 ZINC000014123512 563743167 /nfs/dbraw/zinc/74/31/67/563743167.db2.gz PTYVISQRPUCNBR-LBPRGKRZSA-N 0 0 340.404 4.084 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1Cl ZINC000014124039 563743175 /nfs/dbraw/zinc/74/31/75/563743175.db2.gz URCQOJMKZVYKRP-LLVKDONJSA-N 0 0 348.855 4.418 50 0 EIAARN Clc1ccc(-c2cc(CSc3nnc4ccccn43)on2)cc1 ZINC000014185290 563748148 /nfs/dbraw/zinc/74/81/48/563748148.db2.gz XBDVCJVYPVBJFB-UHFFFAOYSA-N 0 0 342.811 4.330 50 0 EIAARN O=c1[nH]c2ccc(-c3csc(-c4cccc(Cl)c4)n3)cc2[nH]1 ZINC000014230945 563752743 /nfs/dbraw/zinc/75/27/43/563752743.db2.gz FBJRWGKNNGDCJJ-UHFFFAOYSA-N 0 0 327.796 4.300 50 0 EIAARN CNc1nnc(SCc2cc(-c3ccc(Cl)cc3)no2)s1 ZINC000014241240 563754025 /nfs/dbraw/zinc/75/40/25/563754025.db2.gz UITOULAYVCKEON-UHFFFAOYSA-N 0 0 338.845 4.181 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2C)c(OC)c1 ZINC000032820698 563757604 /nfs/dbraw/zinc/75/76/04/563757604.db2.gz IVALCJLQNGVQGS-IBGZPJMESA-N 0 0 339.435 4.298 50 0 EIAARN NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000014523210 563760178 /nfs/dbraw/zinc/76/01/78/563760178.db2.gz WQVRUGVUGKVFAC-UHFFFAOYSA-N 0 0 343.386 4.001 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(Cl)c1 ZINC000014567981 563760558 /nfs/dbraw/zinc/76/05/58/563760558.db2.gz BHKJXWAVWZYFTH-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN COc1cc(C(=O)Oc2cccc(C(C)C)c2)cc(OC)c1OC ZINC000014601482 563761556 /nfs/dbraw/zinc/76/15/56/563761556.db2.gz SMHRHWSSVCFYJK-UHFFFAOYSA-N 0 0 330.380 4.055 50 0 EIAARN Cc1cc(NC(=O)[C@H](Nc2cc(F)cc(F)c2)c2ccccc2)no1 ZINC000032851126 563762677 /nfs/dbraw/zinc/76/26/77/563762677.db2.gz ZKZGJSHPKVKATM-QGZVFWFLSA-N 0 0 343.333 4.053 50 0 EIAARN COc1ccc(CCS[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000032854107 563763024 /nfs/dbraw/zinc/76/30/24/563763024.db2.gz VXNRKFOHYPEQIF-AWEZNQCLSA-N 0 0 345.464 4.007 50 0 EIAARN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(C)s3)C2)cc1 ZINC000014951521 563768055 /nfs/dbraw/zinc/76/80/55/563768055.db2.gz ANRSDSQEEIUXHV-OAHLLOKOSA-N 0 0 346.521 4.268 50 0 EIAARN CCN(Cc1nc(Cc2ccccc2Cl)no1)Cc1ccccc1 ZINC000014967365 563768986 /nfs/dbraw/zinc/76/89/86/563768986.db2.gz WFFZBBASJOAUKA-UHFFFAOYSA-N 0 0 341.842 4.336 50 0 EIAARN Cc1ccsc1C(=O)N1CCc2onc(-c3ccccc3F)c2C1 ZINC000015066413 563774992 /nfs/dbraw/zinc/77/49/92/563774992.db2.gz RVDGDKSEHROZKF-UHFFFAOYSA-N 0 0 342.395 4.049 50 0 EIAARN COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C)C4)ccc1O ZINC000015085173 563777639 /nfs/dbraw/zinc/77/76/39/563777639.db2.gz AAUDZRQKQXRTFP-ZWNOBZJWSA-N 0 0 343.448 4.061 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2)c2sc(Nc3ccccc3)nc2N1 ZINC000015110006 563778310 /nfs/dbraw/zinc/77/83/10/563778310.db2.gz WYDDATYYOZKJBO-CQSZACIVSA-N 0 0 339.395 4.500 50 0 EIAARN Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1O ZINC000015108349 563778361 /nfs/dbraw/zinc/77/83/61/563778361.db2.gz HBLRBOHZRVDVEI-UHFFFAOYSA-N 0 0 346.386 4.205 50 0 EIAARN O=C(Nc1ccc(C(=O)c2ccncc2)cc1)OCc1ccccc1 ZINC000015108918 563778376 /nfs/dbraw/zinc/77/83/76/563778376.db2.gz IHVVRBWDEHYIFG-UHFFFAOYSA-N 0 0 332.359 4.061 50 0 EIAARN O=c1[nH]c(CSCc2c(F)cccc2Cl)nc2ccccc12 ZINC000032891556 563782478 /nfs/dbraw/zinc/78/24/78/563782478.db2.gz XSHQOOYXCGRITR-UHFFFAOYSA-N 0 0 334.803 4.149 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000015339824 563783127 /nfs/dbraw/zinc/78/31/27/563783127.db2.gz AZMIYWVGWDYPRW-HNNXBMFYSA-N 0 0 348.402 4.331 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1Cl ZINC000032894295 563783143 /nfs/dbraw/zinc/78/31/43/563783143.db2.gz OCEDSSHWRXDMHB-UHFFFAOYSA-N 0 0 340.810 4.162 50 0 EIAARN O=C(Nc1cc(F)ccc1F)c1ccc(Br)cc1F ZINC000015425537 563784191 /nfs/dbraw/zinc/78/41/91/563784191.db2.gz SUZHTTRKGZQSIU-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN COc1ccc(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000015519721 563786100 /nfs/dbraw/zinc/78/61/00/563786100.db2.gz NPZMWPXCUQNCKY-HUUCEWRRSA-N 0 0 329.465 4.096 50 0 EIAARN CNC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 ZINC000032903312 563789123 /nfs/dbraw/zinc/78/91/23/563789123.db2.gz LXLCBHKJIAXCHV-UHFFFAOYSA-N 0 0 343.383 4.044 50 0 EIAARN O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccco1 ZINC000015671095 563790326 /nfs/dbraw/zinc/79/03/26/563790326.db2.gz JIWIPQMPZGMAPY-UHFFFAOYSA-N 0 0 331.331 4.249 50 0 EIAARN Cc1cc(Nc2cccc(Cl)c2C)n2nc(-c3ccco3)nc2n1 ZINC000015780335 563792227 /nfs/dbraw/zinc/79/22/27/563792227.db2.gz ZTCSCVRDFRALTL-UHFFFAOYSA-N 0 0 339.786 4.398 50 0 EIAARN Cc1cc(Nc2ccc(F)c(Cl)c2)n2nc(-c3ccco3)nc2n1 ZINC000015780375 563792236 /nfs/dbraw/zinc/79/22/36/563792236.db2.gz SBNCAXJISSNRAH-UHFFFAOYSA-N 0 0 343.749 4.229 50 0 EIAARN O=C(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000015839951 563795091 /nfs/dbraw/zinc/79/50/91/563795091.db2.gz AIAZEQOVHJCIHQ-HXUWFJFHSA-N 0 0 336.822 4.183 50 0 EIAARN CCCCn1c(C)c(C)c2c3nc(-c4cccs4)nn3cnc21 ZINC000015842276 563796205 /nfs/dbraw/zinc/79/62/05/563796205.db2.gz PJNMEPNSYJSGST-UHFFFAOYSA-N 0 0 325.441 4.224 50 0 EIAARN Cc1cc(Cl)ccc1-n1ncc2c1ncnc2N1CCC(C)CC1 ZINC000015880911 563799618 /nfs/dbraw/zinc/79/96/18/563799618.db2.gz BXLYHHUSVRXLET-UHFFFAOYSA-N 0 0 341.846 4.014 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2SCC(F)(F)F)[C@@H]1C ZINC000032908541 563800097 /nfs/dbraw/zinc/80/00/97/563800097.db2.gz DPLXMHAMUMQAIC-NQBHXWOUSA-N 0 0 346.418 4.291 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000016109958 563803923 /nfs/dbraw/zinc/80/39/23/563803923.db2.gz JKCAGFYTASBFNB-ZBFHGGJFSA-N 0 0 347.867 4.241 50 0 EIAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc[nH]2)c(C)c1C ZINC000032911888 563804370 /nfs/dbraw/zinc/80/43/70/563804370.db2.gz GVFQGMQYSOCWLB-SFHVURJKSA-N 0 0 346.496 4.083 50 0 EIAARN Cc1cccnc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 ZINC000016580364 563815292 /nfs/dbraw/zinc/81/52/92/563815292.db2.gz KFBSSSPZCAEWCM-UHFFFAOYSA-N 0 0 326.440 4.484 50 0 EIAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2cc(C)ccc2C)cc1 ZINC000016655643 563819307 /nfs/dbraw/zinc/81/93/07/563819307.db2.gz UNUMXHYLJUXLKU-OAHLLOKOSA-N 0 0 341.476 4.476 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=O)c1cc2ccccc2oc1=O ZINC000016778174 563823299 /nfs/dbraw/zinc/82/32/99/563823299.db2.gz IVNIEJZMGMKKBV-HNNXBMFYSA-N 0 0 339.416 4.004 50 0 EIAARN N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1Cl ZINC000017068494 563832432 /nfs/dbraw/zinc/83/24/32/563832432.db2.gz WBTYWWRKCZPDSM-UHFFFAOYSA-N 0 0 333.174 4.471 50 0 EIAARN Cc1cc(C)n(C(=S)Nc2ccc(Br)cc2Cl)n1 ZINC000017071935 563835261 /nfs/dbraw/zinc/83/52/61/563835261.db2.gz VJONJLKXKQIQDD-UHFFFAOYSA-N 0 0 344.665 4.161 50 0 EIAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CCc1cccc(F)c1 ZINC000032930273 563839565 /nfs/dbraw/zinc/83/95/65/563839565.db2.gz JVECODSUSXCOJT-UHFFFAOYSA-N 0 0 342.414 4.300 50 0 EIAARN Cc1ccc(S[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000000374293 563841680 /nfs/dbraw/zinc/84/16/80/563841680.db2.gz UUJKEVCKEDMKFY-JTQLQIEISA-N 0 0 341.691 4.055 50 0 EIAARN CCc1cccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c1 ZINC000032933508 563844755 /nfs/dbraw/zinc/84/47/55/563844755.db2.gz WCEBSJGMLWXEPN-UHFFFAOYSA-N 0 0 339.361 4.472 50 0 EIAARN Cc1cccc(CN2CCCC[C@@H]2c2nc(-c3ccncc3)no2)c1 ZINC000065286099 563845173 /nfs/dbraw/zinc/84/51/73/563845173.db2.gz WXDIQSPDMUFWCB-GOSISDBHSA-N 0 0 334.423 4.167 50 0 EIAARN Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000017976258 563846730 /nfs/dbraw/zinc/84/67/30/563846730.db2.gz HCSFDGNFLGIIKS-RTBURBONSA-N 0 0 333.387 4.243 50 0 EIAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000018005023 563847098 /nfs/dbraw/zinc/84/70/98/563847098.db2.gz HRXJJJXSCRTMGL-LLVKDONJSA-N 0 0 344.263 4.341 50 0 EIAARN COc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)SC2=S)cc1 ZINC000001147301 563852908 /nfs/dbraw/zinc/85/29/08/563852908.db2.gz HNFUEEQUOGWBPR-ZROIWOOFSA-N 0 0 347.486 4.471 50 0 EIAARN O=C(NCCc1cccc2cccnc21)Nc1cccc2cnccc21 ZINC000043160998 563856551 /nfs/dbraw/zinc/85/65/51/563856551.db2.gz QQDQHMKONJSNJA-UHFFFAOYSA-N 0 0 342.402 4.147 50 0 EIAARN Cc1ccc(NC(=O)N[C@H](C)c2ccncc2)c(Br)c1 ZINC000043328476 563863102 /nfs/dbraw/zinc/86/31/02/563863102.db2.gz AWENQQVUXXFWOJ-LLVKDONJSA-N 0 0 334.217 4.035 50 0 EIAARN CCc1sc(-c2nnc(CN3CCc4ccccc4C3)o2)cc1C ZINC000024601583 563873203 /nfs/dbraw/zinc/87/32/03/563873203.db2.gz VFSSGGZFLDUDIN-UHFFFAOYSA-N 0 0 339.464 4.227 50 0 EIAARN Cc1c(C(=O)NC[C@H](C)c2ccccc2)cnn1-c1ccc(C)cc1 ZINC000024759488 563875104 /nfs/dbraw/zinc/87/51/04/563875104.db2.gz VHESZXQEYORZME-INIZCTEOSA-N 0 0 333.435 4.023 50 0 EIAARN O=C(Nc1ccccc1O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000024760400 563875455 /nfs/dbraw/zinc/87/54/55/563875455.db2.gz BPIJGMISCRGLRG-UHFFFAOYSA-N 0 0 330.343 4.453 50 0 EIAARN CN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@@H]1CCc2ccccc21 ZINC000024828266 563876027 /nfs/dbraw/zinc/87/60/27/563876027.db2.gz SCUUNCXBLNIFLK-LJQANCHMSA-N 0 0 346.430 4.420 50 0 EIAARN Cc1nc(NC(=O)c2ccccc2C)sc1-c1nccn1C(F)F ZINC000024924982 563877487 /nfs/dbraw/zinc/87/74/87/563877487.db2.gz YCHKTQHHYSQNAB-UHFFFAOYSA-N 0 0 348.378 4.271 50 0 EIAARN O=C1O[C@@](c2nc3ccccc3s2)(C(F)(F)F)Cc2ccccc21 ZINC000024927248 563877566 /nfs/dbraw/zinc/87/75/66/563877566.db2.gz XZPBYLQNTCBVKC-INIZCTEOSA-N 0 0 349.333 4.467 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(F)cc1 ZINC000024927603 563877916 /nfs/dbraw/zinc/87/79/16/563877916.db2.gz TZMUVAPUAMVJOK-UHFFFAOYSA-N 0 0 340.379 4.136 50 0 EIAARN C[C@@H](SCc1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000024958280 563878198 /nfs/dbraw/zinc/87/81/98/563878198.db2.gz ZPYMMWUGRMAQQT-CYBMUJFWSA-N 0 0 337.452 4.192 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)NC1(c2ccccc2)CCC1 ZINC000025053340 563880316 /nfs/dbraw/zinc/88/03/16/563880316.db2.gz YOGGJILILDOKFU-UHFFFAOYSA-N 0 0 333.353 4.444 50 0 EIAARN O=C(CCn1ccc2ccccc21)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000025145281 563881264 /nfs/dbraw/zinc/88/12/64/563881264.db2.gz OPDHFMAHHMLLGY-GJZGRUSLSA-N 0 0 338.373 4.269 50 0 EIAARN O=C(Nc1cnc2ccccc2c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000025156195 563881469 /nfs/dbraw/zinc/88/14/69/563881469.db2.gz GGXOCHXKIGOAMF-IBGZPJMESA-N 0 0 348.402 4.045 50 0 EIAARN CC(C)CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000025313864 563883241 /nfs/dbraw/zinc/88/32/41/563883241.db2.gz CKUPQUUWBRKTGL-UHFFFAOYSA-N 0 0 333.435 4.463 50 0 EIAARN CSCCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000025406629 563884331 /nfs/dbraw/zinc/88/43/31/563884331.db2.gz OIMPAMVDROXKQE-UHFFFAOYSA-N 0 0 336.526 4.303 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000043485856 563884345 /nfs/dbraw/zinc/88/43/45/563884345.db2.gz BJPGKNRNHODQCT-SJORKVTESA-N 0 0 327.472 4.331 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)c2cccc3ncccc32)cc1 ZINC000025445986 563885166 /nfs/dbraw/zinc/88/51/66/563885166.db2.gz YTTYQAMBNCLWKU-UHFFFAOYSA-N 0 0 334.375 4.052 50 0 EIAARN CCCc1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1 ZINC000025454274 563885199 /nfs/dbraw/zinc/88/51/99/563885199.db2.gz PDHXGELIIZRZMV-UHFFFAOYSA-N 0 0 349.418 4.039 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1cccs1 ZINC000043494254 563885717 /nfs/dbraw/zinc/88/57/17/563885717.db2.gz USFLUXUEMDHEGJ-CQSZACIVSA-N 0 0 344.436 4.278 50 0 EIAARN CCOc1ccc(SCC(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000025561393 563885950 /nfs/dbraw/zinc/88/59/50/563885950.db2.gz YEAAJVNUZFELIN-UHFFFAOYSA-N 0 0 334.466 4.150 50 0 EIAARN O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000025681202 563887262 /nfs/dbraw/zinc/88/72/62/563887262.db2.gz NXGDUQBUXJPLTG-OAQYLSRUSA-N 0 0 347.458 4.228 50 0 EIAARN COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1 ZINC000025879574 563888869 /nfs/dbraw/zinc/88/88/69/563888869.db2.gz FUOYQKSIPDWDEF-UHFFFAOYSA-N 0 0 346.386 4.200 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccccc1NC(=O)c1ccccc1 ZINC000025879584 563888951 /nfs/dbraw/zinc/88/89/51/563888951.db2.gz ZMAYWUIBMVIDII-OUKQBFOZSA-N 0 0 332.359 4.184 50 0 EIAARN O=C(CSc1nccn1-c1ccccc1)c1cc(F)ccc1F ZINC000026127863 563889822 /nfs/dbraw/zinc/88/98/22/563889822.db2.gz YAWJFHNPFTXPCJ-UHFFFAOYSA-N 0 0 330.359 4.126 50 0 EIAARN CC(C)COCCCNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000026264673 563890507 /nfs/dbraw/zinc/89/05/07/563890507.db2.gz FLBZDEACIJOBTB-OAHLLOKOSA-N 0 0 332.444 4.198 50 0 EIAARN CC(C)COCCCNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000026264664 563890525 /nfs/dbraw/zinc/89/05/25/563890525.db2.gz FLBZDEACIJOBTB-HNNXBMFYSA-N 0 0 332.444 4.198 50 0 EIAARN FC(F)(F)Oc1ccc(CSc2nnc(-c3ccc[nH]3)o2)cc1 ZINC000026705660 563892793 /nfs/dbraw/zinc/89/27/93/563892793.db2.gz KAMQUSNJLIJWJH-UHFFFAOYSA-N 0 0 341.314 4.256 50 0 EIAARN c1sc(-c2ncccn2)nc1CSc1cccc2cccnc21 ZINC000069977579 563893237 /nfs/dbraw/zinc/89/32/37/563893237.db2.gz YWJQBQJPEYSBAG-UHFFFAOYSA-N 0 0 336.445 4.441 50 0 EIAARN COc1ccc(NC(=O)CCc2ccc(C)c(Cl)c2)c(OC)c1 ZINC000027066977 563894496 /nfs/dbraw/zinc/89/44/96/563894496.db2.gz NDOVXYYQZYBXHC-UHFFFAOYSA-N 0 0 333.815 4.237 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc(C)n(CC)c1C)O[C@@H](C)C2 ZINC000027165938 563894880 /nfs/dbraw/zinc/89/48/80/563894880.db2.gz VGLCEIWAPHXPQZ-ZDUSSCGKSA-N 0 0 342.439 4.099 50 0 EIAARN c1csc(-c2noc(CSc3cnc4ccccc4n3)n2)c1 ZINC000027544330 563896677 /nfs/dbraw/zinc/89/66/77/563896677.db2.gz WSWYVQCJZIIERL-UHFFFAOYSA-N 0 0 326.406 4.034 50 0 EIAARN CCCc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 ZINC000027582509 563897133 /nfs/dbraw/zinc/89/71/33/563897133.db2.gz PDNVJMCAEYTJNM-UHFFFAOYSA-N 0 0 342.424 4.015 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027584714 563897415 /nfs/dbraw/zinc/89/74/15/563897415.db2.gz ZHFTVKMSGXLSDQ-UHFFFAOYSA-N 0 0 349.390 4.169 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1 ZINC000027744793 563899347 /nfs/dbraw/zinc/89/93/47/563899347.db2.gz HDCFABBGCMNNDO-UHFFFAOYSA-N 0 0 336.391 4.013 50 0 EIAARN Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](c3ccccc3)C2)c(=O)o1 ZINC000027788829 563899467 /nfs/dbraw/zinc/89/94/67/563899467.db2.gz FSFIRJLWWZQBAR-QGZVFWFLSA-N 0 0 346.386 4.332 50 0 EIAARN Cc1cc([C@@H]2CCCN2Cc2nc(-c3cccs3)oc2C)no1 ZINC000027889127 563900190 /nfs/dbraw/zinc/90/01/90/563900190.db2.gz KQYDSFZRGBINOA-HNNXBMFYSA-N 0 0 329.425 4.345 50 0 EIAARN COc1ccc2cc(COC(=O)Cc3cccs3)c(Cl)nc2c1 ZINC000028136412 563901418 /nfs/dbraw/zinc/90/14/18/563901418.db2.gz OBOFYRKBQHQFGC-UHFFFAOYSA-N 0 0 347.823 4.244 50 0 EIAARN CCCn1c(=O)[nH]nc1S[C@@H](c1ccccc1)c1ccccc1C ZINC000028188111 563901522 /nfs/dbraw/zinc/90/15/22/563901522.db2.gz GZPCWWSGXRTSHM-KRWDZBQOSA-N 0 0 339.464 4.172 50 0 EIAARN CCCOc1ccccc1C(=O)Nc1ccnn1Cc1cccs1 ZINC000028404507 563902767 /nfs/dbraw/zinc/90/27/67/563902767.db2.gz XTMXCSHZHBWNLR-UHFFFAOYSA-N 0 0 341.436 4.034 50 0 EIAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2NC1CCCC1 ZINC000028405991 563902829 /nfs/dbraw/zinc/90/28/29/563902829.db2.gz VWJBOSDZDXEJNO-UHFFFAOYSA-N 0 0 327.819 4.132 50 0 EIAARN Cc1cccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1C ZINC000028683205 563903674 /nfs/dbraw/zinc/90/36/74/563903674.db2.gz ARKKMJGADOKCGN-CYBMUJFWSA-N 0 0 343.496 4.244 50 0 EIAARN Cc1cccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1C ZINC000028683207 563903764 /nfs/dbraw/zinc/90/37/64/563903764.db2.gz ARKKMJGADOKCGN-ZDUSSCGKSA-N 0 0 343.496 4.244 50 0 EIAARN COc1ccc(-c2oncc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000028886437 563904480 /nfs/dbraw/zinc/90/44/80/563904480.db2.gz SDEVLRKDBBUKIA-UHFFFAOYSA-N 0 0 341.363 4.043 50 0 EIAARN COc1ccccc1CNC(=O)Nc1ccccc1SC(F)F ZINC000043552786 563906486 /nfs/dbraw/zinc/90/64/86/563906486.db2.gz CAUNLXOFCSUSGO-UHFFFAOYSA-N 0 0 338.379 4.332 50 0 EIAARN CC(C)CNc1nnc(SCc2cccc3cccnc32)s1 ZINC000029899950 563908880 /nfs/dbraw/zinc/90/88/80/563908880.db2.gz CSRXUSYLHUSZPJ-UHFFFAOYSA-N 0 0 330.482 4.447 50 0 EIAARN C[C@H]1C[C@@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000072291529 563909056 /nfs/dbraw/zinc/90/90/56/563909056.db2.gz YDFARVQEWUXWFW-WFASDCNBSA-N 0 0 342.826 4.211 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000030011837 563909311 /nfs/dbraw/zinc/90/93/11/563909311.db2.gz NSLBGVINWAAEQB-GFCCVEGCSA-N 0 0 337.810 4.322 50 0 EIAARN COCc1cccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000030115909 563909492 /nfs/dbraw/zinc/90/94/92/563909492.db2.gz WNSLOFQIPVADFM-GFCCVEGCSA-N 0 0 337.341 4.343 50 0 EIAARN Cc1cc(C)n(-c2ccc(COc3ccc(-c4nnco4)cc3)cc2)n1 ZINC000030569648 563910025 /nfs/dbraw/zinc/91/00/25/563910025.db2.gz CSGKOERYLNBBNE-UHFFFAOYSA-N 0 0 346.390 4.118 50 0 EIAARN c1c2ccccc2oc1C1=Nn2c(nnc2-c2ccccc2)SC1 ZINC000030782193 563910762 /nfs/dbraw/zinc/91/07/62/563910762.db2.gz VATBIFUOACKQAF-UHFFFAOYSA-N 0 0 332.388 4.049 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2)cc(-c2nc3ncccc3o2)c1O ZINC000030826527 563910826 /nfs/dbraw/zinc/91/08/26/563910826.db2.gz UVYCKLPXRPMYRA-UHFFFAOYSA-N 0 0 345.358 4.156 50 0 EIAARN Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccccc1)O2)CCC3 ZINC000030819471 563910833 /nfs/dbraw/zinc/91/08/33/563910833.db2.gz TYTVOLAJYUHKBH-QGZVFWFLSA-N 0 0 346.382 4.297 50 0 EIAARN Cc1occc1C(=O)Nc1nc(SCc2ccc(F)cc2)ns1 ZINC000030947781 563911884 /nfs/dbraw/zinc/91/18/84/563911884.db2.gz XYKODLCDRVNDFF-UHFFFAOYSA-N 0 0 349.412 4.123 50 0 EIAARN C[C@@H](CCc1cccn1C)NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000072296942 563912582 /nfs/dbraw/zinc/91/25/82/563912582.db2.gz VBZZWGUEIIEPQV-HNNXBMFYSA-N 0 0 344.886 4.238 50 0 EIAARN COc1ccc(CCNc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000032544601 563913907 /nfs/dbraw/zinc/91/39/07/563913907.db2.gz MQJVLHRLSGYPHB-UHFFFAOYSA-N 0 0 347.340 4.312 50 0 EIAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)c(F)c1 ZINC000033087352 563915241 /nfs/dbraw/zinc/91/52/41/563915241.db2.gz DBQYKKNGJUUETO-HNNXBMFYSA-N 0 0 331.391 4.362 50 0 EIAARN Cc1cc(C)c(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)c(C)c1 ZINC000033088935 563915242 /nfs/dbraw/zinc/91/52/42/563915242.db2.gz UDQKNICNUDTJMG-HNNXBMFYSA-N 0 0 346.430 4.296 50 0 EIAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1c(C)noc1C ZINC000033270546 563915638 /nfs/dbraw/zinc/91/56/38/563915638.db2.gz FLVPXBUIZHNZCJ-HNNXBMFYSA-N 0 0 329.400 4.059 50 0 EIAARN CC[C@H](NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1)c1cccs1 ZINC000177435135 563916142 /nfs/dbraw/zinc/91/61/42/563916142.db2.gz JHFQKAQWDOPFOT-STQMWFEESA-N 0 0 348.472 4.252 50 0 EIAARN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)cs1 ZINC000000579624 563917629 /nfs/dbraw/zinc/91/76/29/563917629.db2.gz FXJQSKYIKXPPLG-UHFFFAOYSA-N 0 0 348.424 4.058 50 0 EIAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[C@H]3CCCCO3)c2C1 ZINC000032964023 563919901 /nfs/dbraw/zinc/91/99/01/563919901.db2.gz DDMJMHYIUTXHRB-HUUCEWRRSA-N 0 0 339.435 4.086 50 0 EIAARN O=C(CSc1ccncc1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000500903069 563920029 /nfs/dbraw/zinc/92/00/29/563920029.db2.gz QUYWBBHUNSXOKU-ZWKOTPCHSA-N 0 0 326.465 4.016 50 0 EIAARN CC[C@H](C)NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1 ZINC000032996280 563921482 /nfs/dbraw/zinc/92/14/82/563921482.db2.gz VTGKSEXVKRZCSG-NSHDSACASA-N 0 0 342.424 4.385 50 0 EIAARN Cc1nc(-c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)no1 ZINC000032996550 563921707 /nfs/dbraw/zinc/92/17/07/563921707.db2.gz QTJNLOLOMGHRBL-UHFFFAOYSA-N 0 0 347.296 4.316 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2nc(C)ccc2o1 ZINC000071803694 563922426 /nfs/dbraw/zinc/92/24/26/563922426.db2.gz QCIQMTCDBJIPEG-UHFFFAOYSA-N 0 0 346.390 4.191 50 0 EIAARN Cc1csc(N(CC(F)(F)F)C(=O)[C@@H]2CCc3ccccc32)n1 ZINC000071803771 563922470 /nfs/dbraw/zinc/92/24/70/563922470.db2.gz NJPQTGDIMZZVHM-CYBMUJFWSA-N 0 0 340.370 4.077 50 0 EIAARN CCN1CCN(c2c(Cl)cccc2NC(=O)C2CCCCC2)CC1 ZINC000041107563 563924340 /nfs/dbraw/zinc/92/43/40/563924340.db2.gz MEVONDZUVRVPBC-UHFFFAOYSA-N 0 0 349.906 4.001 50 0 EIAARN Cc1ccc(NCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001512749 563924559 /nfs/dbraw/zinc/92/45/59/563924559.db2.gz FFOCVQTWUPXXBX-WJDWOHSUSA-N 0 0 340.473 4.266 50 0 EIAARN C[C@@H](NCc1csc(C(C)(C)C)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000071825226 563924648 /nfs/dbraw/zinc/92/46/48/563924648.db2.gz UTKOINWIWKDJPF-GFCCVEGCSA-N 0 0 343.496 4.176 50 0 EIAARN CCc1ccccc1C(=O)c1cccc(I)c1 ZINC000043210153 563925270 /nfs/dbraw/zinc/92/52/70/563925270.db2.gz UWOCGEIAOZKRQM-UHFFFAOYSA-N 0 0 336.172 4.085 50 0 EIAARN CCC(CC)N(CC(C)C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000072312789 563929384 /nfs/dbraw/zinc/92/93/84/563929384.db2.gz ZQSSNHVPSSBJHP-UHFFFAOYSA-N 0 0 335.488 4.310 50 0 EIAARN CN(Cc1cc(Br)cs1)C(=O)CCc1ccccc1 ZINC000048069408 563929998 /nfs/dbraw/zinc/92/99/98/563929998.db2.gz LGLLOOYPYMIFQI-UHFFFAOYSA-N 0 0 338.270 4.102 50 0 EIAARN O[C@H]1CCCC[C@@H]1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000060342746 563931906 /nfs/dbraw/zinc/93/19/06/563931906.db2.gz AUURWASIUZNMSJ-GJZGRUSLSA-N 0 0 325.437 4.074 50 0 EIAARN CCn1nc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C ZINC000013703219 563932014 /nfs/dbraw/zinc/93/20/14/563932014.db2.gz GDVLLZYNTZDYGK-UHFFFAOYSA-N 0 0 345.406 4.007 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000033048007 563935013 /nfs/dbraw/zinc/93/50/13/563935013.db2.gz RPHRHKBCYYWXHS-UHFFFAOYSA-N 0 0 344.354 4.398 50 0 EIAARN Cn1nccc1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000057991413 563936191 /nfs/dbraw/zinc/93/61/91/563936191.db2.gz UOMWFZACUBLKLN-UHFFFAOYSA-N 0 0 327.771 4.118 50 0 EIAARN CCN(C[C@H]1CCOC1)C(=O)c1ccc(-c2ccccc2F)s1 ZINC000058086744 563937317 /nfs/dbraw/zinc/93/73/17/563937317.db2.gz IPWNRONASUYGMK-CYBMUJFWSA-N 0 0 333.428 4.053 50 0 EIAARN Cc1ccccc1NC1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000058138439 563937651 /nfs/dbraw/zinc/93/76/51/563937651.db2.gz CITLJNCFMRBTDN-UHFFFAOYSA-N 0 0 327.403 4.243 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ccc(Br)cc2F)c(C)n1 ZINC000058177848 563939143 /nfs/dbraw/zinc/93/91/43/563939143.db2.gz YNSZOHVLSJAMTJ-UHFFFAOYSA-N 0 0 337.192 4.161 50 0 EIAARN CC(C)NC(=O)Nc1ccc(CNCc2csc(C(C)C)n2)cc1 ZINC000058202774 563939783 /nfs/dbraw/zinc/93/97/83/563939783.db2.gz FHQQORNTBSVMOZ-UHFFFAOYSA-N 0 0 346.500 4.086 50 0 EIAARN Cc1noc(C)c1CNc1ccc(C(=O)N2CCCC[C@H]2C)cc1C ZINC000058217547 563940118 /nfs/dbraw/zinc/94/01/18/563940118.db2.gz CCAQZJRZRCVVQE-CQSZACIVSA-N 0 0 341.455 4.227 50 0 EIAARN C[C@@H](NC(=O)N(CCO)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000058226868 563940364 /nfs/dbraw/zinc/94/03/64/563940364.db2.gz FGQJASTWMMPNAI-QGZVFWFLSA-N 0 0 348.446 4.105 50 0 EIAARN CC(C)(C)OC(=O)Nc1cc(NC(=O)CC(F)(F)F)ccc1F ZINC000058230673 563940486 /nfs/dbraw/zinc/94/04/86/563940486.db2.gz VLLSFZCXXJGMFB-UHFFFAOYSA-N 0 0 336.285 4.064 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)N(Cc1ccco1)c1cccc(F)c1 ZINC000058228678 563940490 /nfs/dbraw/zinc/94/04/90/563940490.db2.gz RFKCVUMRIBCFJD-GFCCVEGCSA-N 0 0 342.370 4.360 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)NCCC3=CCCCC3)cnc21 ZINC000058263886 563940965 /nfs/dbraw/zinc/94/09/65/563940965.db2.gz TWYNXIBGLHDFKR-UHFFFAOYSA-N 0 0 327.432 4.024 50 0 EIAARN COc1ccc(N(C)C(=O)c2c[nH]cc2-c2ccc(Cl)s2)cn1 ZINC000058269695 563941348 /nfs/dbraw/zinc/94/13/48/563941348.db2.gz QYLNSDYQTNFJTB-UHFFFAOYSA-N 0 0 347.827 4.077 50 0 EIAARN O=C(Nc1ccc2ncccc2c1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000058329212 563942705 /nfs/dbraw/zinc/94/27/05/563942705.db2.gz MUVHJFKQESFSNQ-UHFFFAOYSA-N 0 0 346.415 4.335 50 0 EIAARN CN(Cc1ccc(F)cc1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000058342879 563942987 /nfs/dbraw/zinc/94/29/87/563942987.db2.gz ASPKIVZPICZZFI-UHFFFAOYSA-N 0 0 338.382 4.072 50 0 EIAARN C[C@H]1CCc2[nH]c3c(cccc3C(=O)N(C)CCc3ccncc3)c2C1 ZINC000058356428 563943411 /nfs/dbraw/zinc/94/34/11/563943411.db2.gz HWQIGKKLVPDARH-HNNXBMFYSA-N 0 0 347.462 4.002 50 0 EIAARN CC(C)c1nc(CCNC(=O)c2c(F)cccc2Cl)cs1 ZINC000058357131 563943587 /nfs/dbraw/zinc/94/35/87/563943587.db2.gz FSIBIVVOEILGHX-UHFFFAOYSA-N 0 0 326.824 4.032 50 0 EIAARN O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccco1 ZINC000058356896 563943628 /nfs/dbraw/zinc/94/36/28/563943628.db2.gz GJLIRDJVHXHAND-UHFFFAOYSA-N 0 0 330.236 4.136 50 0 EIAARN C[C@@H](CCc1ccco1)NC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000058357657 563943698 /nfs/dbraw/zinc/94/36/98/563943698.db2.gz GDLVQUKWBZGGJW-AWEZNQCLSA-N 0 0 336.435 4.391 50 0 EIAARN CN(Cc1cscn1)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000058392493 563944670 /nfs/dbraw/zinc/94/46/70/563944670.db2.gz NXJIYXVPLHAGFP-UHFFFAOYSA-N 0 0 340.473 4.242 50 0 EIAARN Cc1cc2nc(NCc3cc4ccccc4[nH]3)c3ccccc3n2n1 ZINC000058406585 563945061 /nfs/dbraw/zinc/94/50/61/563945061.db2.gz HCZZDZYFQNTUAG-UHFFFAOYSA-N 0 0 327.391 4.284 50 0 EIAARN C[C@]1(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC1(Cl)Cl ZINC000058412917 563945335 /nfs/dbraw/zinc/94/53/35/563945335.db2.gz AWNQKCLQEWVYRG-XJKSGUPXSA-N 0 0 326.267 4.499 50 0 EIAARN Cc1ccccc1C[S@](=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000058415854 563945435 /nfs/dbraw/zinc/94/54/35/563945435.db2.gz FEYSNEWJRNSHCS-HSZRJFAPSA-N 0 0 346.839 4.147 50 0 EIAARN COc1c(CN[C@@H](c2ccco2)c2ccccc2)c(C(C)C)nn1C ZINC000058419978 563945707 /nfs/dbraw/zinc/94/57/07/563945707.db2.gz ZKXMJQWRLSCZDQ-LJQANCHMSA-N 0 0 339.439 4.024 50 0 EIAARN Cc1c(C(=O)N(CCC(C)C)C2CC2)sc2nc(C)nc(C)c12 ZINC000058419504 563945727 /nfs/dbraw/zinc/94/57/27/563945727.db2.gz ZMACTWPBCJATNY-UHFFFAOYSA-N 0 0 331.485 4.267 50 0 EIAARN O=C(NCc1cc2ccccc2[nH]1)c1cccnc1Oc1ccccc1 ZINC000058434034 563946355 /nfs/dbraw/zinc/94/63/55/563946355.db2.gz TZRFUUOJAULCCB-UHFFFAOYSA-N 0 0 343.386 4.285 50 0 EIAARN O=C(NCc1ccccc1F)Nc1ccc(OC(F)(F)F)cc1 ZINC000058481274 563946687 /nfs/dbraw/zinc/94/66/87/563946687.db2.gz LAKLCUDEESITGZ-UHFFFAOYSA-N 0 0 328.265 4.046 50 0 EIAARN COc1ccccc1NC(=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC000058523035 563946716 /nfs/dbraw/zinc/94/67/16/563946716.db2.gz APMGJSRBWVXBDE-UHFFFAOYSA-N 0 0 346.452 4.090 50 0 EIAARN CC=CC=CC(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000059422180 563948938 /nfs/dbraw/zinc/94/89/38/563948938.db2.gz YYRWKDYQHHUJRU-DSXPNFDZSA-N 0 0 335.382 4.364 50 0 EIAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)CCc1ccco1 ZINC000060372920 563949479 /nfs/dbraw/zinc/94/94/79/563949479.db2.gz UEJIJRLOYMHFOX-UHFFFAOYSA-N 0 0 339.420 4.101 50 0 EIAARN CCC(CC)(NC(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000060376140 563949866 /nfs/dbraw/zinc/94/98/66/563949866.db2.gz DPMVEZCHJVTKKC-IRXDYDNUSA-N 0 0 345.874 4.009 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@@H](CSc2nc3ccccc3[nH]2)C1 ZINC000060379245 563949868 /nfs/dbraw/zinc/94/98/68/563949868.db2.gz QLTWCGSGXXFCIN-CYBMUJFWSA-N 0 0 347.484 4.302 50 0 EIAARN CCOc1ccc(NC(=O)CN2C[C@H](C)Sc3ccccc32)cc1 ZINC000033059206 563951591 /nfs/dbraw/zinc/95/15/91/563951591.db2.gz LPHOMQOWVJISDE-AWEZNQCLSA-N 0 0 342.464 4.025 50 0 EIAARN CC[C@H]1CN(CC(=O)Nc2ccc(OC)cc2)c2ccccc2S1 ZINC000033059290 563951715 /nfs/dbraw/zinc/95/17/15/563951715.db2.gz VKHJMQQZPVBIBQ-INIZCTEOSA-N 0 0 342.464 4.025 50 0 EIAARN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccc(-c2cccnc2)cc1 ZINC000096446745 563953421 /nfs/dbraw/zinc/95/34/21/563953421.db2.gz OVGURIZOSNHUCM-ZOCIIQOWSA-N 0 0 332.403 4.323 50 0 EIAARN CSCc1cccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000096461737 563954051 /nfs/dbraw/zinc/95/40/51/563954051.db2.gz HHWHIWYXPAXCMJ-HNNXBMFYSA-N 0 0 330.457 4.032 50 0 EIAARN C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ncc(C(C)(C)C)o1 ZINC000096471548 563954688 /nfs/dbraw/zinc/95/46/88/563954688.db2.gz PGEJWIAFAPJCSI-NSHDSACASA-N 0 0 341.860 4.302 50 0 EIAARN Cc1nc([C@H](C)n2ccnc2C(C)C)n(-c2cccc3cccnc32)n1 ZINC000063834260 563956096 /nfs/dbraw/zinc/95/60/96/563956096.db2.gz GXOPDLIEXPTBOU-AWEZNQCLSA-N 0 0 346.438 4.053 50 0 EIAARN CCN(C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12)C(C)C ZINC000063857172 563956296 /nfs/dbraw/zinc/95/62/96/563956296.db2.gz PUSLTYHXFONDSE-UHFFFAOYSA-N 0 0 348.450 4.179 50 0 EIAARN CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)on1 ZINC000064985070 563957883 /nfs/dbraw/zinc/95/78/83/563957883.db2.gz KFOONNLRVOCTDB-CQSZACIVSA-N 0 0 337.782 4.399 50 0 EIAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064985182 563957976 /nfs/dbraw/zinc/95/79/76/563957976.db2.gz SLPQYFOFDIGYDQ-MRXNPFEDSA-N 0 0 343.427 4.484 50 0 EIAARN Cc1cc(COc2ccccc2)oc1C(=O)N[C@H](C)c1nccs1 ZINC000065381188 563959022 /nfs/dbraw/zinc/95/90/22/563959022.db2.gz HQBHZUMFQNERFN-CYBMUJFWSA-N 0 0 342.420 4.115 50 0 EIAARN Cc1nn(CCC(C)C)c2c1[C@@H](c1ccnc3ccccc31)CC(=O)N2 ZINC000065382285 563959031 /nfs/dbraw/zinc/95/90/31/563959031.db2.gz YPRNHXYOBWJXMQ-QGZVFWFLSA-N 0 0 348.450 4.260 50 0 EIAARN Cc1cc2c(cc1O)NC(=O)C[C@H]2c1ccc(Oc2ccccc2)nc1 ZINC000065395126 563959542 /nfs/dbraw/zinc/95/95/42/563959542.db2.gz FTGSGWLDWRXCOF-INIZCTEOSA-N 0 0 346.386 4.362 50 0 EIAARN Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2ccncc2)n1 ZINC000065404440 563959987 /nfs/dbraw/zinc/95/99/87/563959987.db2.gz DENUOWGMAZCLPL-UHFFFAOYSA-N 0 0 343.434 4.207 50 0 EIAARN CC1=C(C[C@H]2CC(=O)NCc3nc4sccn4c32)C(C)(C)CCC1 ZINC000065405400 563960052 /nfs/dbraw/zinc/96/00/52/563960052.db2.gz PBUKFLKOBHUETC-ZDUSSCGKSA-N 0 0 343.496 4.416 50 0 EIAARN O=C(CCC(F)(F)F)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000065408094 563960322 /nfs/dbraw/zinc/96/03/22/563960322.db2.gz NKRVYYQHNDWJFY-CQSZACIVSA-N 0 0 331.353 4.339 50 0 EIAARN CCc1ccc2nc(NC3CCN(C(=O)C(C)C)CC3)cc(C)c2c1 ZINC000065460102 563961111 /nfs/dbraw/zinc/96/11/11/563961111.db2.gz XVJRINVXDJGQRB-UHFFFAOYSA-N 0 0 339.483 4.165 50 0 EIAARN Cc1cc([C@@H]2CCCN2Cc2cc(=O)oc3c(C)cc(C)cc23)on1 ZINC000065491894 563961466 /nfs/dbraw/zinc/96/14/66/563961466.db2.gz KUQGQZLDZHBINS-KRWDZBQOSA-N 0 0 338.407 4.043 50 0 EIAARN Cc1ccccc1-c1ncc(CNCc2snnc2C(C)C)s1 ZINC000065499247 563961593 /nfs/dbraw/zinc/96/15/93/563961593.db2.gz NINDFZCAOIMMHL-UHFFFAOYSA-N 0 0 344.509 4.383 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)o1 ZINC000043720382 563963323 /nfs/dbraw/zinc/96/33/23/563963323.db2.gz LWCCSFZLLTWRBO-HUUCEWRRSA-N 0 0 348.468 4.101 50 0 EIAARN COc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)c(C)[nH]2)c1 ZINC000157124718 563963329 /nfs/dbraw/zinc/96/33/29/563963329.db2.gz CCDFJRUXKPCSJA-UHFFFAOYSA-N 0 0 335.407 4.263 50 0 EIAARN COc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)[nH]c2C)cc1 ZINC000033139602 563963911 /nfs/dbraw/zinc/96/39/11/563963911.db2.gz UFFCTZFHQTZZER-UHFFFAOYSA-N 0 0 334.419 4.237 50 0 EIAARN CC[C@H](Nc1nccc(-c2ccc(C)nc2C)n1)c1cc(C)ccn1 ZINC000071388552 563964259 /nfs/dbraw/zinc/96/42/59/563964259.db2.gz DOSHCTSNLSJNEF-KRWDZBQOSA-N 0 0 333.439 4.422 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2SCC(F)(F)F)C1 ZINC000033184928 563964577 /nfs/dbraw/zinc/96/45/77/563964577.db2.gz QGBMBINMIVZREB-GHMZBOCLSA-N 0 0 332.391 4.045 50 0 EIAARN CC[C@H](c1cccs1)n1ccnc1-c1cc2ccccc2[nH]c1=O ZINC000071589520 563964604 /nfs/dbraw/zinc/96/46/04/563964604.db2.gz FGCNVJDESHSXBL-MRXNPFEDSA-N 0 0 335.432 4.453 50 0 EIAARN C[C@H](Cc1ccco1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000033208341 563964889 /nfs/dbraw/zinc/96/48/89/563964889.db2.gz SMXPQSWOCXFJGI-CQSZACIVSA-N 0 0 331.843 4.492 50 0 EIAARN CCCc1oncc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071747672 563965026 /nfs/dbraw/zinc/96/50/26/563965026.db2.gz KINFUYBHCARZNI-OAHLLOKOSA-N 0 0 344.430 4.251 50 0 EIAARN Clc1ccc([C@H]2CN(Cc3cc4ccccc4[nH]3)CCO2)cc1 ZINC000071776587 563965750 /nfs/dbraw/zinc/96/57/50/563965750.db2.gz KWTORMUTXGFMSH-LJQANCHMSA-N 0 0 326.827 4.395 50 0 EIAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)no1 ZINC000033254251 563966018 /nfs/dbraw/zinc/96/60/18/563966018.db2.gz SXSFTYDOEXKURE-UHFFFAOYSA-N 0 0 345.761 4.344 50 0 EIAARN CCc1ccccc1NC(=O)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000033254287 563966019 /nfs/dbraw/zinc/96/60/19/563966019.db2.gz ICWCXFACRZDIMD-UHFFFAOYSA-N 0 0 333.391 4.429 50 0 EIAARN Cc1ccc(Nc2nc(N)c(C(=O)c3ccccc3F)s2)cc1 ZINC000033251750 563966066 /nfs/dbraw/zinc/96/60/66/563966066.db2.gz SQVMPGHGJQEFIO-UHFFFAOYSA-N 0 0 327.384 4.147 50 0 EIAARN COc1cccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1 ZINC000033255367 563966149 /nfs/dbraw/zinc/96/61/49/563966149.db2.gz ZVWDYANEBBEETO-UHFFFAOYSA-N 0 0 335.407 4.403 50 0 EIAARN CCCNC(=O)Nc1ccc(-c2noc(-c3sccc3C)n2)cc1 ZINC000033257132 563966180 /nfs/dbraw/zinc/96/61/80/563966180.db2.gz DVHBIQDNMVUIHZ-UHFFFAOYSA-N 0 0 342.424 4.305 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)nc1 ZINC000033257401 563966201 /nfs/dbraw/zinc/96/62/01/563966201.db2.gz ZHEBNNLWKFGCGY-UHFFFAOYSA-N 0 0 349.394 4.352 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)NCc3ccccc3Cl)c2)no1 ZINC000033257588 563966204 /nfs/dbraw/zinc/96/62/04/563966204.db2.gz BDRGXXBAXAYQEI-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000046407913 563966223 /nfs/dbraw/zinc/96/62/23/563966223.db2.gz XMUDNFJEFVLMTD-UHFFFAOYSA-N 0 0 334.419 4.082 50 0 EIAARN C(Sc1nnc(C2CCCCC2)o1)c1nnc(C2CC2)n1C1CC1 ZINC000097083518 563967301 /nfs/dbraw/zinc/96/73/01/563967301.db2.gz AHUDAROJHONWPH-UHFFFAOYSA-N 0 0 345.472 4.213 50 0 EIAARN CCC1(CC)Oc2ccc(NC(=O)[C@H]3COc4ccccc43)cc2O1 ZINC000097105214 563967669 /nfs/dbraw/zinc/96/76/69/563967669.db2.gz UVVUOGYWVLSHIH-HNNXBMFYSA-N 0 0 339.391 4.089 50 0 EIAARN CCOc1ccc([C@@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)cc1 ZINC000000034503 563967809 /nfs/dbraw/zinc/96/78/09/563967809.db2.gz BITGIXSXFHMOBA-NRFANRHFSA-N 0 0 341.451 4.118 50 0 biogenic EIAARN Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@@H](C)c1nccs1 ZINC000097113498 563967906 /nfs/dbraw/zinc/96/79/06/563967906.db2.gz WTBYUYJSDLLVNG-GFCCVEGCSA-N 0 0 342.424 4.032 50 0 EIAARN O=C(Nc1cc(Cl)cc2c1OCC2)c1ccc(F)cc1Cl ZINC000097145616 563968240 /nfs/dbraw/zinc/96/82/40/563968240.db2.gz VOBCXJLMKXIYDQ-UHFFFAOYSA-N 0 0 326.154 4.320 50 0 EIAARN CCS[C@H]1CCCC[C@H]1NCc1nc(CCc2ccccc2)no1 ZINC000097165597 563968515 /nfs/dbraw/zinc/96/85/15/563968515.db2.gz WUMJHCRAWFMXRZ-SJORKVTESA-N 0 0 345.512 4.009 50 0 EIAARN CN(C(=O)c1ccccc1-c1ncc[nH]1)[C@H]1CCCc2ccccc21 ZINC000077407203 563969488 /nfs/dbraw/zinc/96/94/88/563969488.db2.gz ADKNPECEEDYTOF-IBGZPJMESA-N 0 0 331.419 4.226 50 0 EIAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCc2[nH]nc(C3CC3)c2C1 ZINC000077437164 563969606 /nfs/dbraw/zinc/96/96/06/563969606.db2.gz WQGYCOVVFPUVCY-UHFFFAOYSA-N 0 0 349.434 4.157 50 0 EIAARN COc1cccc([C@H]2CCCCN2C(=O)c2cccnc2SC)c1 ZINC000077485542 563969936 /nfs/dbraw/zinc/96/99/36/563969936.db2.gz STPQGPSIKGAKON-QGZVFWFLSA-N 0 0 342.464 4.180 50 0 EIAARN Cc1cc(C)c2nc(C)cc(C(=O)N3CC(Oc4ccccc4)C3)c2c1 ZINC000077504133 563970010 /nfs/dbraw/zinc/97/00/10/563970010.db2.gz JHGMNLTZXXRQFI-UHFFFAOYSA-N 0 0 346.430 4.063 50 0 EIAARN O=C(c1ccccc1-n1cccn1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077516892 563970130 /nfs/dbraw/zinc/97/01/30/563970130.db2.gz DWVWWERJKOWCSI-LJQANCHMSA-N 0 0 349.409 4.379 50 0 EIAARN CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000077520231 563970159 /nfs/dbraw/zinc/97/01/59/563970159.db2.gz GGSSTRZHJFKKJX-SFHVURJKSA-N 0 0 343.446 4.218 50 0 EIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc2nc(C)cn2c1 ZINC000082098307 563972203 /nfs/dbraw/zinc/97/22/03/563972203.db2.gz NDPHFMABMSYDHF-SFHVURJKSA-N 0 0 336.439 4.041 50 0 EIAARN C[C@@H](c1cncs1)N(C)C(=O)c1csc(-c2cccs2)n1 ZINC000082107780 563972316 /nfs/dbraw/zinc/97/23/16/563972316.db2.gz KZCHHUCHRHHLSA-VIFPVBQESA-N 0 0 335.479 4.161 50 0 EIAARN Cc1ncsc1CCC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000082157836 563972804 /nfs/dbraw/zinc/97/28/04/563972804.db2.gz NLJQTUGRBMRMBX-UHFFFAOYSA-N 0 0 346.477 4.268 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000033279090 563972867 /nfs/dbraw/zinc/97/28/67/563972867.db2.gz ILUXWWNFSXJTCS-GFCCVEGCSA-N 0 0 339.370 4.071 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000033279091 563972923 /nfs/dbraw/zinc/97/29/23/563972923.db2.gz ILUXWWNFSXJTCS-LBPRGKRZSA-N 0 0 339.370 4.071 50 0 EIAARN O=C(/C=C\c1ccco1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000033299886 563973226 /nfs/dbraw/zinc/97/32/26/563973226.db2.gz YIHCAFSMEGLULR-HJWRWDBZSA-N 0 0 331.331 4.135 50 0 EIAARN Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCn3ccnc3C2)cc1 ZINC000126158869 563973325 /nfs/dbraw/zinc/97/33/25/563973325.db2.gz UNGKANIQHACDIZ-MRXNPFEDSA-N 0 0 347.418 4.185 50 0 EIAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c(Cl)cccc1Cl ZINC000033310959 563973528 /nfs/dbraw/zinc/97/35/28/563973528.db2.gz GMMKIASTKPLAFP-ALCCZGGFSA-N 0 0 336.174 4.374 50 0 EIAARN O[C@H]1COc2c(F)ccc(F)c2[C@H]1Sc1ccc(Cl)cc1 ZINC000085221444 563973745 /nfs/dbraw/zinc/97/37/45/563973745.db2.gz XYALFOHXBMXTOG-WFASDCNBSA-N 0 0 328.767 4.205 50 0 EIAARN O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(Cl)cc1F ZINC000085651290 563973879 /nfs/dbraw/zinc/97/38/79/563973879.db2.gz YEOPXTNGVIRQSQ-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN O=C(c1cc(F)cc(Cl)c1)c1ccccc1CN1CCSCC1 ZINC000085651689 563973901 /nfs/dbraw/zinc/97/39/01/563973901.db2.gz HFZFZVAGOJCQCM-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccccc1 ZINC000000070192 563974071 /nfs/dbraw/zinc/97/40/71/563974071.db2.gz SELRREFXULUALP-UHFFFAOYSA-N 0 0 342.354 4.107 50 0 EIAARN Cc1cc(C)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)c1 ZINC000060791560 563974820 /nfs/dbraw/zinc/97/48/20/563974820.db2.gz HVRRRZXRYKDHCS-OAQYLSRUSA-N 0 0 343.430 4.465 50 0 EIAARN CC(C)(C)Nc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000000085462 563975438 /nfs/dbraw/zinc/97/54/38/563975438.db2.gz YUKCNBYSEWJIHH-UHFFFAOYSA-N 0 0 342.468 4.301 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000043861121 563975832 /nfs/dbraw/zinc/97/58/32/563975832.db2.gz FBMLBYJYBCFLLB-CYBMUJFWSA-N 0 0 341.455 4.073 50 0 EIAARN CC(=O)Nc1ccc(Oc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000087589 563976278 /nfs/dbraw/zinc/97/62/78/563976278.db2.gz CPTVIUJGTLMPFF-UHFFFAOYSA-N 0 0 339.420 4.321 50 0 EIAARN O=C1N[C@@H](c2ccccc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000000088352 563976426 /nfs/dbraw/zinc/97/64/26/563976426.db2.gz BVIPZHBRIXVNFK-AWEZNQCLSA-N 0 0 339.445 4.122 50 0 EIAARN Cc1cc2ncn(-c3nc(C)nc4sc5c(c43)CCC5)c2cc1C ZINC000000090270 563976537 /nfs/dbraw/zinc/97/65/37/563976537.db2.gz YJYJBZFPDRIDJM-UHFFFAOYSA-N 0 0 334.448 4.444 50 0 EIAARN Cc1ccccc1CCC(=O)N1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095497531 563977001 /nfs/dbraw/zinc/97/70/01/563977001.db2.gz HGHAKWNDUSXUIQ-LJQANCHMSA-N 0 0 339.483 4.111 50 0 EIAARN Cc1ccc2nc(C)c(C)c(C(=O)N3CC(Oc4ccccc4)C3)c2c1 ZINC000095509048 563977240 /nfs/dbraw/zinc/97/72/40/563977240.db2.gz WKOJXWDJRVIQNI-UHFFFAOYSA-N 0 0 346.430 4.063 50 0 EIAARN Cc1csc([C@H](C)N(C)C(=O)c2c(C)onc2-c2ccccc2)n1 ZINC000096131163 563979340 /nfs/dbraw/zinc/97/93/40/563979340.db2.gz MTOJUAKTAIEIHD-LBPRGKRZSA-N 0 0 341.436 4.248 50 0 EIAARN CC[C@H](C)n1nc(C)cc1NC(=O)NC1(c2cc(F)ccc2F)CC1 ZINC000096151687 563979694 /nfs/dbraw/zinc/97/96/94/563979694.db2.gz NSTSDARSYCCJOR-LBPRGKRZSA-N 0 0 348.397 4.252 50 0 EIAARN Cc1ccc(NC(=O)NCCCNc2cccnc2)cc1C(C)C ZINC000096153897 563979731 /nfs/dbraw/zinc/97/97/31/563979731.db2.gz ZWRAKVIZTKAIHD-UHFFFAOYSA-N 0 0 326.444 4.137 50 0 EIAARN Cc1nnc(-c2cccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)c2)o1 ZINC000072906187 563981191 /nfs/dbraw/zinc/98/11/91/563981191.db2.gz PNSDEEYSQQRVPW-VHSSKADRSA-N 0 0 339.439 4.086 50 0 EIAARN O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000247800297 563981678 /nfs/dbraw/zinc/98/16/78/563981678.db2.gz VAACTTPNVPNLFH-OLZOCXBDSA-N 0 0 341.282 4.444 50 0 EIAARN O=C(Nc1ccn(-c2ccccc2)n1)c1cc(C(F)(F)F)ccc1F ZINC000119747674 563983668 /nfs/dbraw/zinc/98/36/68/563983668.db2.gz GDDXAXMEPXKAIQ-UHFFFAOYSA-N 0 0 349.287 4.283 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(C)cc2C)c(C)n1-c1nccs1 ZINC000119776187 563983680 /nfs/dbraw/zinc/98/36/80/563983680.db2.gz MXLSLHVXOCTWGR-UHFFFAOYSA-N 0 0 325.437 4.420 50 0 EIAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cnccn1 ZINC000014377421 563984060 /nfs/dbraw/zinc/98/40/60/563984060.db2.gz VOGQTOYNHUJDDY-UHFFFAOYSA-N 0 0 348.387 4.131 50 0 EIAARN CC[C@H]1CCCCN1c1cc(C)nc2nc(-c3ccccc3C)nn21 ZINC000014610477 563986156 /nfs/dbraw/zinc/98/61/56/563986156.db2.gz DJGLVWXGFPXEHZ-INIZCTEOSA-N 0 0 335.455 4.177 50 0 EIAARN CCOC(=O)c1sc2nc(C)nc(NC3CCCCC3)c2c1C ZINC000000109422 563986512 /nfs/dbraw/zinc/98/65/12/563986512.db2.gz SJOHPLHIUSPWFK-UHFFFAOYSA-N 0 0 333.457 4.229 50 0 EIAARN COc1ccc(NC(=O)c2cccnc2Nc2ccc(F)cc2)cc1 ZINC000000109626 563986558 /nfs/dbraw/zinc/98/65/58/563986558.db2.gz GWFLTBWMRRKLIN-UHFFFAOYSA-N 0 0 337.354 4.225 50 0 EIAARN CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000000110824 563986634 /nfs/dbraw/zinc/98/66/34/563986634.db2.gz UVRJQTZXCTVUQI-SMDDNHRTSA-N 0 0 343.398 4.330 50 0 EIAARN CCOC(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000000132299 563987008 /nfs/dbraw/zinc/98/70/08/563987008.db2.gz NLBUXXCPNGXUPA-UHFFFAOYSA-N 0 0 330.434 4.014 50 0 EIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000000140458 563987103 /nfs/dbraw/zinc/98/71/03/563987103.db2.gz UNWYOYFLGMANQV-INIZCTEOSA-N 0 0 339.819 4.005 50 0 EIAARN Cc1cc([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(C)o1 ZINC000127589734 563987354 /nfs/dbraw/zinc/98/73/54/563987354.db2.gz VZTGMAFFVRKRBC-FNHZYXHNSA-N 0 0 342.439 4.177 50 0 EIAARN Cc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000000176714 563987684 /nfs/dbraw/zinc/98/76/84/563987684.db2.gz OGQOUGXJAAIWCS-GDNBJRDFSA-N 0 0 342.192 4.102 50 0 EIAARN CSc1nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2s1 ZINC000000189360 563988020 /nfs/dbraw/zinc/98/80/20/563988020.db2.gz OCBJBEIBIXCOSD-UHFFFAOYSA-N 0 0 343.477 4.337 50 0 EIAARN CC(C)(C)n1nc2c(c1NC(=O)c1cccc(Cl)c1)CSC2 ZINC000000189422 563988060 /nfs/dbraw/zinc/98/80/60/563988060.db2.gz ZPBWDGSDZCKPOB-UHFFFAOYSA-N 0 0 335.860 4.291 50 0 EIAARN NC(=O)c1cc2ccccc2o/c1=N\c1ccc(-c2ccccc2)cc1 ZINC000000195544 563988240 /nfs/dbraw/zinc/98/82/40/563988240.db2.gz LNNZHDKJOKVLFN-GYHWCHFESA-N 0 0 340.382 4.431 50 0 EIAARN Cc1ccc(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1C ZINC000000198268 563988264 /nfs/dbraw/zinc/98/82/64/563988264.db2.gz WESTWBRHGRAJOH-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/00/63/76/564006376.db2.gz AMKSADRGMGCDAB-JXMROGBWSA-N 0 0 335.325 4.044 50 0 EIAARN Cc1ccc(C(C)C)c(OCCNC(=O)CCc2ccccc2)c1 ZINC000003127099 564006781 /nfs/dbraw/zinc/00/67/81/564006781.db2.gz MCCXOXHXOBPTAI-UHFFFAOYSA-N 0 0 325.452 4.246 50 0 EIAARN CCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(C)cc1 ZINC000005643140 564006911 /nfs/dbraw/zinc/00/69/11/564006911.db2.gz UEZUJIKAUISELV-LRDDRELGSA-N 0 0 345.468 4.033 50 0 EIAARN Cc1noc(C)c1CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272851757 564007509 /nfs/dbraw/zinc/00/75/09/564007509.db2.gz OTDYHCUBBLTLRO-LJQANCHMSA-N 0 0 341.842 4.413 50 0 EIAARN Cc1ccc(CC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000273296777 564007709 /nfs/dbraw/zinc/00/77/09/564007709.db2.gz MHSJTXIFHOWXRD-AEFFLSMTSA-N 0 0 347.455 4.117 50 0 EIAARN Cc1scc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C ZINC000273315724 564007734 /nfs/dbraw/zinc/00/77/34/564007734.db2.gz PYIYJGYTCRDEIV-FUHWJXTLSA-N 0 0 347.455 4.496 50 0 EIAARN Cc1scc(C(=O)N[C@@H](c2nccs2)c2ccccc2)c1C ZINC000180047623 564007995 /nfs/dbraw/zinc/00/79/95/564007995.db2.gz ORYCTGZKMNKLGY-OAHLLOKOSA-N 0 0 328.462 4.341 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1C[C@H]1c1ccccc1 ZINC000000475553 564010631 /nfs/dbraw/zinc/01/06/31/564010631.db2.gz HCRNEJDDKQWLHQ-QWHCGFSZSA-N 0 0 334.188 4.330 50 0 EIAARN COC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)cc1 ZINC000000112007 564012086 /nfs/dbraw/zinc/01/20/86/564012086.db2.gz OZRKEDWMOJCTIL-UHFFFAOYSA-N 0 0 327.327 4.179 50 0 EIAARN Cc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000000311712 564012374 /nfs/dbraw/zinc/01/23/74/564012374.db2.gz OSRFCTUTCVBBCE-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccccc2Br)c(C)c1 ZINC000000362538 564012415 /nfs/dbraw/zinc/01/24/15/564012415.db2.gz TVUDYAAMXOKBKD-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CCCC(=O)Nc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000000444579 564012616 /nfs/dbraw/zinc/01/26/16/564012616.db2.gz AGGNPTNKNJBXST-UHFFFAOYSA-N 0 0 340.423 4.060 50 0 EIAARN O=C(COc1ccc2ccccc2c1Br)NC1CCCC1 ZINC000000614115 564012900 /nfs/dbraw/zinc/01/29/00/564012900.db2.gz OEYXTVFSJCCOKO-UHFFFAOYSA-N 0 0 348.240 4.040 50 0 EIAARN COc1cc(Cl)c(C)cc1NCc1nnc(Cc2ccccc2)o1 ZINC000062652298 564012958 /nfs/dbraw/zinc/01/29/58/564012958.db2.gz LBWALVSPJJBLHV-UHFFFAOYSA-N 0 0 343.814 4.243 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c(C)c1 ZINC000001171152 564012999 /nfs/dbraw/zinc/01/29/99/564012999.db2.gz JGCXDAYELGNGAY-UHFFFAOYSA-N 0 0 342.464 4.217 50 0 EIAARN CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cc(C)ccc1C ZINC000041076981 564013296 /nfs/dbraw/zinc/01/32/96/564013296.db2.gz QRFAEWUDVAYPGO-UHFFFAOYSA-N 0 0 349.434 4.199 50 0 EIAARN Cc1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C(C)C ZINC000041077028 564013310 /nfs/dbraw/zinc/01/33/10/564013310.db2.gz FZTFZJJHZWXJFY-UHFFFAOYSA-N 0 0 349.434 4.279 50 0 EIAARN Brc1ccc(OCCOc2cccc3cccnc32)cc1 ZINC000002991391 564013476 /nfs/dbraw/zinc/01/34/76/564013476.db2.gz KEPHFKKHUVFTPQ-UHFFFAOYSA-N 0 0 344.208 4.455 50 0 EIAARN C/C=C/c1ccc(OCCOc2ccccc2C(C)=O)c(OC)c1 ZINC000002991254 564013486 /nfs/dbraw/zinc/01/34/86/564013486.db2.gz DLBRAMZXJUDRPB-QPJJXVBHSA-N 0 0 326.392 4.389 50 0 EIAARN C[C@@]1(c2ccc(Br)cc2)NN=C(c2ccccc2)S1 ZINC000002920297 564013512 /nfs/dbraw/zinc/01/35/12/564013512.db2.gz JWIKUYGTKQWIEZ-OAHLLOKOSA-N 0 0 333.254 4.320 50 0 EIAARN O=C(Cc1noc(-c2cc(Cl)ccc2Cl)n1)Nc1ccccc1 ZINC000016577822 564014410 /nfs/dbraw/zinc/01/44/10/564014410.db2.gz KXCSKUFAFZTKTC-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1Cl ZINC000585147968 564014752 /nfs/dbraw/zinc/01/47/52/564014752.db2.gz KVKUPCYLZKNRAW-QGZVFWFLSA-N 0 0 341.794 4.063 50 0 EIAARN O=C(Nc1ccsc1Cl)N1CCC(Oc2ccccc2)CC1 ZINC000189347064 564015180 /nfs/dbraw/zinc/01/51/80/564015180.db2.gz PNFMBMFAPYPEKB-UHFFFAOYSA-N 0 0 336.844 4.477 50 0 EIAARN CCCCc1noc(CNc2ccccc2N2CCCCCC2)n1 ZINC000120423607 564017438 /nfs/dbraw/zinc/01/74/38/564017438.db2.gz OZXUDDODVQIMNJ-UHFFFAOYSA-N 0 0 328.460 4.405 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000043759614 564017516 /nfs/dbraw/zinc/01/75/16/564017516.db2.gz NCMZQTLCXHGLOK-JAYAMIOFSA-N 0 0 330.468 4.450 50 0 EIAARN COc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)C(C)C)cc1 ZINC000000489574 564017517 /nfs/dbraw/zinc/01/75/17/564017517.db2.gz GBIFCRZAZCBEGU-QGZVFWFLSA-N 0 0 337.419 4.121 50 0 biogenic EIAARN CC(C)N1C(=O)N(c2cccc3ccccc32)[C@@](C)(O)CC1(C)C ZINC000000494310 564017813 /nfs/dbraw/zinc/01/78/13/564017813.db2.gz KGCSPJMRDSVBJL-FQEVSTJZSA-N 0 0 326.440 4.367 50 0 EIAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccc(Cl)c1 ZINC000018068387 564017871 /nfs/dbraw/zinc/01/78/71/564017871.db2.gz SCIKWQAOHDOOCZ-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)c1csc(-c2cccs2)n1 ZINC000018086212 564017962 /nfs/dbraw/zinc/01/79/62/564017962.db2.gz SEHPWSXGGHAPKI-LLVKDONJSA-N 0 0 344.461 4.371 50 0 EIAARN Cc1[nH]c2ccc(C(=O)Nc3cc4c(cc3Cl)OCO4)cc2c1C ZINC000012972072 564019315 /nfs/dbraw/zinc/01/93/15/564019315.db2.gz HOCAMIPLERMEQJ-UHFFFAOYSA-N 0 0 342.782 4.419 50 0 EIAARN Cc1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)no1 ZINC000005702342 564019499 /nfs/dbraw/zinc/01/94/99/564019499.db2.gz GYBPZIORESJDFE-UHFFFAOYSA-N 0 0 338.392 4.116 50 0 EIAARN O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccc(O)c1 ZINC000000507489 564019745 /nfs/dbraw/zinc/01/97/45/564019745.db2.gz OACLREPQKGGQNB-UHFFFAOYSA-N 0 0 348.789 4.412 50 0 EIAARN c1coc(Cn2c(-c3cccs3)nc3nc4ccccc4nc32)c1 ZINC000000521814 564021068 /nfs/dbraw/zinc/02/10/68/564021068.db2.gz FDXLGESUDIRCRZ-UHFFFAOYSA-N 0 0 332.388 4.349 50 0 EIAARN COC1=CC2=CC[C@@H]3[C@@H]4CC[C@]5(CO5)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1 ZINC000012654020 564021494 /nfs/dbraw/zinc/02/14/94/564021494.db2.gz AKWAWNXESMOSLR-JWPBWTMGSA-N 0 0 328.452 4.037 50 0 biogenic EIAARN Cc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn32)cc1 ZINC000000530114 564021500 /nfs/dbraw/zinc/02/15/00/564021500.db2.gz ZDMGJODJCGTNSY-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN O=c1cc(-c2ccc(Br)cc2)nc(-c2ccccc2F)o1 ZINC000000550288 564022868 /nfs/dbraw/zinc/02/28/68/564022868.db2.gz OFXUKUXDGVAPQV-UHFFFAOYSA-N 0 0 346.155 4.270 50 0 EIAARN CCc1cccc(C)c1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000000555044 564023096 /nfs/dbraw/zinc/02/30/96/564023096.db2.gz GWMJDOHYGSUOJK-UHFFFAOYSA-N 0 0 344.414 4.310 50 0 EIAARN CCS(=O)(=O)c1ccc(-c2csc(C)n2)c(Cl)c1Cl ZINC000005718949 564023424 /nfs/dbraw/zinc/02/34/24/564023424.db2.gz YVSCQUNIRFMTQG-UHFFFAOYSA-N 0 0 336.265 4.219 50 0 EIAARN Cc1c(C)n(C[C@H](O)CNc2ccc(Cl)cc2)c2ccccc12 ZINC000000571493 564023720 /nfs/dbraw/zinc/02/37/20/564023720.db2.gz SYGUIGMPBJPJSN-QGZVFWFLSA-N 0 0 328.843 4.385 50 0 EIAARN CC(C)[C@@H](CC(N)=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096287551 564023749 /nfs/dbraw/zinc/02/37/49/564023749.db2.gz UGNMSXARHXYFJJ-GOSISDBHSA-N 0 0 338.426 4.444 50 0 EIAARN CCc1ccccc1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000000571984 564023796 /nfs/dbraw/zinc/02/37/96/564023796.db2.gz DYEKXSBMZDIQSD-UHFFFAOYSA-N 0 0 330.387 4.001 50 0 EIAARN CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H](C)OCc1cccc(OC)c1 ZINC000107353124 564023856 /nfs/dbraw/zinc/02/38/56/564023856.db2.gz XHKRSZJGNUYAIM-TXPKVOOTSA-N 0 0 333.472 4.028 50 0 EIAARN Cc1nnc(CN[C@@H](Cc2ccccc2Cl)c2ccccc2)o1 ZINC000181601173 564024197 /nfs/dbraw/zinc/02/41/97/564024197.db2.gz QVNYQNJIPZAXPM-KRWDZBQOSA-N 0 0 327.815 4.105 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000000579881 564024340 /nfs/dbraw/zinc/02/43/40/564024340.db2.gz HENSLWCHVYETGP-INIZCTEOSA-N 0 0 333.815 4.453 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Br ZINC000000580012 564024354 /nfs/dbraw/zinc/02/43/54/564024354.db2.gz NHKMHLVJGSTNAQ-OAHLLOKOSA-N 0 0 334.213 4.245 50 0 EIAARN Cc1nn(-c2ccc(C(=O)NCc3cccs3)cc2)c(C)c1Cl ZINC000024580365 564024616 /nfs/dbraw/zinc/02/46/16/564024616.db2.gz PTJRBFRKMLRWFN-UHFFFAOYSA-N 0 0 345.855 4.134 50 0 EIAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCOc2ccccc21 ZINC000024586111 564024899 /nfs/dbraw/zinc/02/48/99/564024899.db2.gz AOXFVJZJAFOYGM-UHFFFAOYSA-N 0 0 338.794 4.236 50 0 EIAARN Cc1cc(Cl)ccc1OC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000014849313 564025087 /nfs/dbraw/zinc/02/50/87/564025087.db2.gz TWIPESGLGLDFEK-CQSZACIVSA-N 0 0 343.810 4.145 50 0 EIAARN O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000105934387 564025350 /nfs/dbraw/zinc/02/53/50/564025350.db2.gz UIQMSGQVYZXARC-GVDBMIGSSA-N 0 0 332.513 4.066 50 0 EIAARN COC(=O)c1c(NCCCc2ccccc2)onc1-c1ccccc1 ZINC000046914756 564025612 /nfs/dbraw/zinc/02/56/12/564025612.db2.gz MTWQYULNFNOLGS-UHFFFAOYSA-N 0 0 336.391 4.173 50 0 EIAARN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccoc1 ZINC000047277671 564026057 /nfs/dbraw/zinc/02/60/57/564026057.db2.gz FDYHCTQKWOELLG-UHFFFAOYSA-N 0 0 337.423 4.155 50 0 EIAARN Cc1ccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c(F)c1 ZINC000047327808 564026100 /nfs/dbraw/zinc/02/61/00/564026100.db2.gz SZDUCQBETSSRQU-UHFFFAOYSA-N 0 0 343.324 4.357 50 0 EIAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cnsn1 ZINC000047412512 564026239 /nfs/dbraw/zinc/02/62/39/564026239.db2.gz URQFRBFQOWOPQR-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN Cn1ccnc1[C@H](Nc1ncccc1C(F)(F)F)c1ccccc1 ZINC000047509874 564026401 /nfs/dbraw/zinc/02/64/01/564026401.db2.gz DDNXGPKZGFECIA-CQSZACIVSA-N 0 0 332.329 4.035 50 0 EIAARN Cc1nc(CCC(=O)Nc2ccc3c[nH]nc3c2)oc1-c1ccccc1 ZINC000106736708 564026612 /nfs/dbraw/zinc/02/66/12/564026612.db2.gz OSGTZKVZYDPAHM-UHFFFAOYSA-N 0 0 346.390 4.098 50 0 EIAARN C[C@H](Nc1ccc2c(c1)OCCCO2)c1nnc(-c2ccccc2)o1 ZINC000044874342 564027259 /nfs/dbraw/zinc/02/72/59/564027259.db2.gz MYLXUTASRANYBG-ZDUSSCGKSA-N 0 0 337.379 4.071 50 0 EIAARN CSc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000044839052 564027324 /nfs/dbraw/zinc/02/73/24/564027324.db2.gz MVBZWMCCUJMSSI-UHFFFAOYSA-N 0 0 337.448 4.037 50 0 EIAARN Cc1[nH]nc2c1[C@H](c1cccc(OC3CCCC3)c1)SCC(=O)N2 ZINC000044893183 564027531 /nfs/dbraw/zinc/02/75/31/564027531.db2.gz KALHOMABPLBVOZ-KRWDZBQOSA-N 0 0 343.452 4.464 50 0 EIAARN O=C1CS[C@@H](c2cccs2)c2cnn(-c3ccccc3)c2N1 ZINC000044921652 564027768 /nfs/dbraw/zinc/02/77/68/564027768.db2.gz NCMWNKHDVMHEBW-OAHLLOKOSA-N 0 0 327.434 4.358 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@H](c2cccs2)C(C)C)on1 ZINC000044967132 564027929 /nfs/dbraw/zinc/02/79/29/564027929.db2.gz KNVKCKOOFRLKSB-BBRMVZONSA-N 0 0 333.457 4.288 50 0 EIAARN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc(Cl)s1 ZINC000044970066 564027964 /nfs/dbraw/zinc/02/79/64/564027964.db2.gz DFQGXXDSNHSDMG-DGCLKSJQSA-N 0 0 335.860 4.404 50 0 EIAARN COc1ccccc1[C@H](C)N(C)C(=O)CCn1ccc2ccccc21 ZINC000045250080 564028277 /nfs/dbraw/zinc/02/82/77/564028277.db2.gz DWAKKQKWLYUVCH-INIZCTEOSA-N 0 0 336.435 4.260 50 0 EIAARN Cc1ccc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cn1 ZINC000045270423 564028326 /nfs/dbraw/zinc/02/83/26/564028326.db2.gz FBOBBGDFOWCNSM-OAHLLOKOSA-N 0 0 347.871 4.080 50 0 EIAARN CC(C)CCN(Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CC1 ZINC000045751815 564028638 /nfs/dbraw/zinc/02/86/38/564028638.db2.gz BHBJPWYVJLMMRQ-UHFFFAOYSA-N 0 0 325.412 4.092 50 0 EIAARN C[C@@H]1CCCCN1C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000045999463 564029060 /nfs/dbraw/zinc/02/90/60/564029060.db2.gz BFLIUFWTRPARMJ-CQSZACIVSA-N 0 0 343.402 4.097 50 0 EIAARN Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)c1 ZINC000046010449 564029130 /nfs/dbraw/zinc/02/91/30/564029130.db2.gz LYLQAIOLSVEJMN-UHFFFAOYSA-N 0 0 339.395 4.436 50 0 EIAARN Cc1ccc(NC(=O)c2cc3c(cc2C)OCCCO3)cc1Cl ZINC000046077869 564029451 /nfs/dbraw/zinc/02/94/51/564029451.db2.gz VMRGVAFXUGVFJA-UHFFFAOYSA-N 0 0 331.799 4.370 50 0 EIAARN COc1cc2c(cc1C(=O)Nc1cccc3ccccc31)OCCCO2 ZINC000046077825 564029438 /nfs/dbraw/zinc/02/94/38/564029438.db2.gz OPBRSKHMWMGXRY-UHFFFAOYSA-N 0 0 349.386 4.262 50 0 EIAARN Cc1cc(-n2c(C)cc(C(=O)CSc3ccc(O)cc3)c2C)no1 ZINC000047894815 564029796 /nfs/dbraw/zinc/02/97/96/564029796.db2.gz KBHNSZVJKWHBKZ-UHFFFAOYSA-N 0 0 342.420 4.071 50 0 EIAARN O=C(Nc1ccccc1-n1cccn1)c1ccccc1C(F)(F)F ZINC000047974142 564029861 /nfs/dbraw/zinc/02/98/61/564029861.db2.gz RTZARLDLEZYXHR-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000048065038 564029890 /nfs/dbraw/zinc/02/98/90/564029890.db2.gz ZIBLVNHYRNFLDJ-CEFACKQISA-N 0 0 342.395 4.047 50 0 EIAARN CN(C)c1ccc(NC(=O)N(C)Cc2csc3ccccc23)cn1 ZINC000048090999 564029952 /nfs/dbraw/zinc/02/99/52/564029952.db2.gz NMISPSCPNMCLIY-UHFFFAOYSA-N 0 0 340.452 4.026 50 0 EIAARN O=C(Nc1cccnc1N1CCCC1)N1CCC[C@H]1c1cccs1 ZINC000048172243 564030008 /nfs/dbraw/zinc/03/00/08/564030008.db2.gz LUCQFGCQZQDCQV-HNNXBMFYSA-N 0 0 342.468 4.112 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(Cl)cc1F ZINC000048202218 564030022 /nfs/dbraw/zinc/03/00/22/564030022.db2.gz PAKSHBGCRZHKMQ-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN O=C(NOCc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000048234838 564030137 /nfs/dbraw/zinc/03/01/37/564030137.db2.gz MFOJUXJYYITFPV-UHFFFAOYSA-N 0 0 334.419 4.298 50 0 EIAARN CN(C)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cn1 ZINC000048262652 564030335 /nfs/dbraw/zinc/03/03/35/564030335.db2.gz HCAFGTUAUSJKHS-KRWDZBQOSA-N 0 0 344.434 4.196 50 0 EIAARN COc1cc(C)c([C@@H](C)NC(=O)c2c(C)oc(C)c2C)cc1OC ZINC000048286677 564030481 /nfs/dbraw/zinc/03/04/81/564030481.db2.gz QPWCUEZFFDOOIT-GFCCVEGCSA-N 0 0 331.412 4.021 50 0 EIAARN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C(C)(C)C ZINC000048324827 564030949 /nfs/dbraw/zinc/03/09/49/564030949.db2.gz DOTWKXVZMPPBSV-UHFFFAOYSA-N 0 0 345.462 4.433 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccc[nH]3)s2)o1 ZINC000048326103 564031030 /nfs/dbraw/zinc/03/10/30/564031030.db2.gz GBKFFCROWOGMAQ-CQSZACIVSA-N 0 0 341.436 4.325 50 0 EIAARN COc1cc([C@H](C)NC(=O)C2CCCC2)ccc1OC1CCCC1 ZINC000048332547 564031097 /nfs/dbraw/zinc/03/10/97/564031097.db2.gz WRAVHEROAPGYQC-AWEZNQCLSA-N 0 0 331.456 4.384 50 0 EIAARN CCN(C(=O)c1cc(C)n(Cc2ccccn2)c1C)c1ccccc1 ZINC000048326616 564031162 /nfs/dbraw/zinc/03/11/62/564031162.db2.gz QOWFVYCBBONICY-UHFFFAOYSA-N 0 0 333.435 4.215 50 0 EIAARN CCN(C(C)=O)c1nc(CN(C)[C@H](C)c2ccc(C)s2)cs1 ZINC000048353990 564031298 /nfs/dbraw/zinc/03/12/98/564031298.db2.gz JXPUHWWDJKSHPC-GFCCVEGCSA-N 0 0 337.514 4.079 50 0 EIAARN O=C1CCCc2cc(-c3csc(N4CCCCC4)n3)ccc2N1 ZINC000048374299 564031544 /nfs/dbraw/zinc/03/15/44/564031544.db2.gz CHJRKGAXEVNDCW-UHFFFAOYSA-N 0 0 327.453 4.075 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)NCc3ccc(F)cc3)cc2)oc1C ZINC000048374935 564031636 /nfs/dbraw/zinc/03/16/36/564031636.db2.gz AECZOKIALPYAOQ-UHFFFAOYSA-N 0 0 339.370 4.419 50 0 EIAARN CCc1ccc(C(=O)Nc2cc(Br)ccc2OC)cc1 ZINC000048444668 564031853 /nfs/dbraw/zinc/03/18/53/564031853.db2.gz SDHWYMLSWJUTBN-UHFFFAOYSA-N 0 0 334.213 4.272 50 0 EIAARN CCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)s2)cc1OC ZINC000048500828 564031947 /nfs/dbraw/zinc/03/19/47/564031947.db2.gz FPFSEMUKSYTAOZ-CYBMUJFWSA-N 0 0 333.453 4.345 50 0 EIAARN O=C(Nc1nc(-c2ccco2)cs1)[C@H](c1ccccc1)n1cccc1 ZINC000049030854 564032428 /nfs/dbraw/zinc/03/24/28/564032428.db2.gz BUIGZGXAYGBSHI-KRWDZBQOSA-N 0 0 349.415 4.433 50 0 EIAARN O=C(C[C@H]1C=CCC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000115258349 564033055 /nfs/dbraw/zinc/03/30/55/564033055.db2.gz OTWZTYGXHUDJRC-UPCLLVRISA-N 0 0 339.460 4.289 50 0 EIAARN C[S@](=O)Cc1cc(NC(=O)CC2=CCCCC2)ccc1Cl ZINC000115264699 564033081 /nfs/dbraw/zinc/03/30/81/564033081.db2.gz DVMLVFVIXSPGRG-OAQYLSRUSA-N 0 0 325.861 4.048 50 0 EIAARN CC(C)N(C(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C1CCC1 ZINC000081548017 564033310 /nfs/dbraw/zinc/03/33/10/564033310.db2.gz KAXCDDMSEKAKNB-UHFFFAOYSA-N 0 0 325.412 4.017 50 0 EIAARN Cc1ccc(-c2c(=O)c(=O)c2Nc2ccc(C)c(Cl)c2)cc1C ZINC000006892990 564033817 /nfs/dbraw/zinc/03/38/17/564033817.db2.gz UNUOQDAKXUGUEL-UHFFFAOYSA-N 0 0 325.795 4.272 50 0 EIAARN Cc1csc(C2(NCC(=O)Nc3cc(C)ccc3C)CCCC2)n1 ZINC000081608052 564034096 /nfs/dbraw/zinc/03/40/96/564034096.db2.gz MLRWBGHKCPCDPS-UHFFFAOYSA-N 0 0 343.496 4.066 50 0 EIAARN C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)n1cnc2ccccc21 ZINC000043841643 564034334 /nfs/dbraw/zinc/03/43/34/564034334.db2.gz DXKKXMSEKVUNCJ-BBRMVZONSA-N 0 0 325.437 4.023 50 0 EIAARN Cc1csc(N(C(=O)c2cc(Cl)ccn2)c2ccccc2)n1 ZINC000007989596 564034602 /nfs/dbraw/zinc/03/46/02/564034602.db2.gz BBSDUKKCCOWBDS-UHFFFAOYSA-N 0 0 329.812 4.478 50 0 EIAARN COc1ccc(C(=O)N[C@H](c2ccsc2)c2cccs2)cc1F ZINC000390827469 564034657 /nfs/dbraw/zinc/03/46/57/564034657.db2.gz YGQBTPZFXWXVOT-MRXNPFEDSA-N 0 0 347.436 4.477 50 0 EIAARN COc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c(OC)c1 ZINC000000817738 564034991 /nfs/dbraw/zinc/03/49/91/564034991.db2.gz MHUSQFUDTXFACO-FQEVSTJZSA-N 0 0 335.407 4.157 50 0 EIAARN Cc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000058163348 564035572 /nfs/dbraw/zinc/03/55/72/564035572.db2.gz KJGRWEPVUYIWDO-UHFFFAOYSA-N 0 0 330.431 4.313 50 0 EIAARN CC[C@H](Oc1ccccc1F)C(=O)NCCSc1ccc(C)cc1 ZINC000008478433 564035682 /nfs/dbraw/zinc/03/56/82/564035682.db2.gz NCUJUAWAWPGINY-KRWDZBQOSA-N 0 0 347.455 4.200 50 0 EIAARN Cc1nn(C)c(C)c1/C=C/C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000005775772 564035696 /nfs/dbraw/zinc/03/56/96/564035696.db2.gz DFJFQPDZFGOYOJ-BUHFOSPRSA-N 0 0 346.430 4.461 50 0 EIAARN CC(C)c1ccc([C@H](NC(=O)CSc2nncs2)C(C)C)cc1 ZINC000008505436 564035798 /nfs/dbraw/zinc/03/57/98/564035798.db2.gz SQWWUAYPZYUYBK-MRXNPFEDSA-N 0 0 349.525 4.267 50 0 EIAARN Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N(C)C[C@@H]2CCCCO2)c1 ZINC000220176171 564035824 /nfs/dbraw/zinc/03/58/24/564035824.db2.gz QXZRVHBGPLAVMP-KRWDZBQOSA-N 0 0 347.499 4.303 50 0 EIAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1ccnn1Cc1ccco1 ZINC000032593518 564036124 /nfs/dbraw/zinc/03/61/24/564036124.db2.gz MJKUBFMDNBHQAE-UHFFFAOYSA-N 0 0 335.363 4.140 50 0 EIAARN Fc1ccccc1CN(Cc1nc(-c2cccs2)no1)C1CC1 ZINC000032759777 564036183 /nfs/dbraw/zinc/03/61/83/564036183.db2.gz DVCYCVLQTAKUHW-UHFFFAOYSA-N 0 0 329.400 4.102 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccnc2ccccc12 ZINC000221389096 564036193 /nfs/dbraw/zinc/03/61/93/564036193.db2.gz GKGXQTFCNOBLIE-UHFFFAOYSA-N 0 0 344.336 4.113 50 0 EIAARN Cc1cccc(NC(=O)CSc2ncnc3c4ccccc4[nH]c32)c1 ZINC000033172358 564036520 /nfs/dbraw/zinc/03/65/20/564036520.db2.gz DVEDFNIJQXKOKY-UHFFFAOYSA-N 0 0 348.431 4.150 50 0 EIAARN C[C@H]1CCC[C@H](NC(=O)c2cccnc2SCC(F)(F)F)C1 ZINC000033184931 564036543 /nfs/dbraw/zinc/03/65/43/564036543.db2.gz QGBMBINMIVZREB-QWRGUYRKSA-N 0 0 332.391 4.045 50 0 EIAARN CCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21 ZINC000027980406 564036598 /nfs/dbraw/zinc/03/65/98/564036598.db2.gz CRNZUZAPBOSTJL-UHFFFAOYSA-N 0 0 336.391 4.259 50 0 EIAARN CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000222204451 564036764 /nfs/dbraw/zinc/03/67/64/564036764.db2.gz HDQJQWKFHNGHRA-QGTPRVQTSA-N 0 0 348.487 4.125 50 0 EIAARN Cc1nc([C@@H](C)NC(=O)CSCc2ccccc2C)c(C)s1 ZINC000223044518 564038795 /nfs/dbraw/zinc/03/87/95/564038795.db2.gz MFBNSFGDPHLSOW-GFCCVEGCSA-N 0 0 334.510 4.179 50 0 EIAARN Cc1oc2ncnc(NC(=O)c3ccccc3C(F)(F)F)c2c1C ZINC000225398940 564046432 /nfs/dbraw/zinc/04/64/32/564046432.db2.gz HMSLSJKTNBEAJU-UHFFFAOYSA-N 0 0 335.285 4.111 50 0 EIAARN Cc1c(NCc2cc(-c3ccc(Cl)cc3)no2)cccc1C(N)=O ZINC000225451958 564046907 /nfs/dbraw/zinc/04/69/07/564046907.db2.gz MUJMCMLJSLQJNL-UHFFFAOYSA-N 0 0 341.798 4.014 50 0 EIAARN COc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2)c1 ZINC000225517979 564047473 /nfs/dbraw/zinc/04/74/73/564047473.db2.gz NSGOAOUNAARASJ-LJQANCHMSA-N 0 0 346.386 4.280 50 0 EIAARN CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000225690368 564049442 /nfs/dbraw/zinc/04/94/42/564049442.db2.gz CXOOGOJXUAEVCE-UKRRQHHQSA-N 0 0 325.399 4.477 50 0 EIAARN CCOc1c(CN(C)C(=O)N[C@@H](C)c2cccs2)cccc1OC ZINC000426642907 564051429 /nfs/dbraw/zinc/05/14/29/564051429.db2.gz NXLGNVQLZNXYHQ-ZDUSSCGKSA-N 0 0 348.468 4.058 50 0 EIAARN O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CCCCCCC1 ZINC000426643095 564051439 /nfs/dbraw/zinc/05/14/39/564051439.db2.gz ZTPIACYWUVHFHD-LJQANCHMSA-N 0 0 341.430 4.286 50 0 EIAARN C[C@H](CCOc1ccccc1)c1nc(-c2n[nH]c3ccccc32)no1 ZINC000545712139 564051482 /nfs/dbraw/zinc/05/14/82/564051482.db2.gz SDGAWMIQBKMPSZ-CYBMUJFWSA-N 0 0 334.379 4.186 50 0 EIAARN C[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1nc(C(F)(F)F)cs1 ZINC000239654526 564051630 /nfs/dbraw/zinc/05/16/30/564051630.db2.gz BOECJVKZPXWXNE-ONGXEEELSA-N 0 0 347.406 4.197 50 0 EIAARN CC[C@H](NC(=O)N1CCCC[C@@H]1c1nccn1CC)c1cccs1 ZINC000239637133 564051659 /nfs/dbraw/zinc/05/16/59/564051659.db2.gz BJADIHHUXHXIOK-LSDHHAIUSA-N 0 0 346.500 4.352 50 0 EIAARN CN1CCO[C@@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000248008797 564052905 /nfs/dbraw/zinc/05/29/05/564052905.db2.gz CZGMCXMFKOCFDA-FEIBYLFLSA-N 0 0 347.543 4.048 50 0 EIAARN c1ccc([C@@H]2[C@@H]3N2[C@H](c2ccccc2)N2O[C@@]32c2ccccc2)cc1 ZINC000252489074 564053442 /nfs/dbraw/zinc/05/34/42/564053442.db2.gz JEKWBADSIIAEGZ-NMERGDTBSA-N 0 0 326.399 4.225 50 0 EIAARN C(=C/c1ccccc1)\CN(Cc1cc(C2CC2)on1)C[C@H]1CCCO1 ZINC000252494460 564053495 /nfs/dbraw/zinc/05/34/95/564053495.db2.gz NWHXFTFMAKFQGJ-BTZGUFSASA-N 0 0 338.451 4.246 50 0 EIAARN C[C@@H]1CCCC[C@H]1N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000253409292 564053630 /nfs/dbraw/zinc/05/36/30/564053630.db2.gz ZYZBUARHBCRTFR-CNDZOEFASA-N 0 0 335.447 4.109 50 0 EIAARN Cc1nnc(NCc2ccc(OCC(F)(F)F)cc2)c2ccccc12 ZINC000025152128 564053652 /nfs/dbraw/zinc/05/36/52/564053652.db2.gz WUPTXVCBXNSDFF-UHFFFAOYSA-N 0 0 347.340 4.491 50 0 EIAARN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1C ZINC000001006182 564053976 /nfs/dbraw/zinc/05/39/76/564053976.db2.gz QPLQPLGOQGHFDI-LFIBNONCSA-N 0 0 325.389 4.245 50 0 EIAARN O=C(c1cc(-c2ccccn2)nc2ccc(Cl)cc21)N1CCCC1 ZINC000001074118 564054368 /nfs/dbraw/zinc/05/43/68/564054368.db2.gz PHTREAFAPQEFAU-UHFFFAOYSA-N 0 0 337.810 4.186 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257345964 564055843 /nfs/dbraw/zinc/05/58/43/564055843.db2.gz NTIDOCUQWIFRTK-XTNRYPJZSA-N 0 0 334.500 4.179 50 0 EIAARN CCc1ccccc1NC(=O)c1nc(C)n(-c2cccc(Cl)c2)n1 ZINC000261490583 564056137 /nfs/dbraw/zinc/05/61/37/564056137.db2.gz LQXMVTQHSIETNX-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN CCCCCSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000005867471 564056743 /nfs/dbraw/zinc/05/67/43/564056743.db2.gz 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O=C([C@H](Sc1nccn1C1CC1)c1ccccc1)N1CCCCC1 ZINC000012646956 564062064 /nfs/dbraw/zinc/06/20/64/564062064.db2.gz ZFLVKIDXQRIAPC-QGZVFWFLSA-N 0 0 341.480 4.064 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000015431923 564062119 /nfs/dbraw/zinc/06/21/19/564062119.db2.gz WDVNNMIOZUTSHB-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000025661461 564062519 /nfs/dbraw/zinc/06/25/19/564062519.db2.gz QLIFEKVRCVRWOQ-UHFFFAOYSA-N 0 0 336.222 4.241 50 0 EIAARN COc1ccc(CN2COc3c(cc(Cl)c4cccnc43)C2)cc1 ZINC000012555350 564063009 /nfs/dbraw/zinc/06/30/09/564063009.db2.gz GOJMNOCHCBQJDN-UHFFFAOYSA-N 0 0 340.810 4.249 50 0 EIAARN COc1ccc([C@H]2CCN(C(=O)Nc3c(C)cccc3F)C2)cc1 ZINC000184476794 564063321 /nfs/dbraw/zinc/06/33/21/564063321.db2.gz QCENWJQXSGUPET-HNNXBMFYSA-N 0 0 328.387 4.164 50 0 EIAARN CCc1ccc(O)c(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000083820598 564063540 /nfs/dbraw/zinc/06/35/40/564063540.db2.gz MEPRZRJWPNAIHY-UHFFFAOYSA-N 0 0 341.426 4.189 50 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ZINC000086207940 564075331 /nfs/dbraw/zinc/07/53/31/564075331.db2.gz CSQBBTIVRDVOEF-UHFFFAOYSA-N 0 0 349.887 4.207 50 0 EIAARN O=C(Nc1ccc(F)cc1F)N[C@@H]1CCSc2ccc(F)cc21 ZINC000012852683 564075424 /nfs/dbraw/zinc/07/54/24/564075424.db2.gz ATHUBQABQBPOTJ-CYBMUJFWSA-N 0 0 338.354 4.463 50 0 EIAARN CSc1cccc(NC(=O)Nc2cccc(-c3noc(C)n3)c2)c1 ZINC000015823225 564075475 /nfs/dbraw/zinc/07/54/75/564075475.db2.gz OMHINYNTXUSZBR-UHFFFAOYSA-N 0 0 340.408 4.411 50 0 EIAARN C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000012856704 564075515 /nfs/dbraw/zinc/07/55/15/564075515.db2.gz DWNZTBPMSKXMNZ-MEDUHNTESA-N 0 0 349.402 4.085 50 0 EIAARN C[C@H](c1ccccn1)N(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000086338436 564075549 /nfs/dbraw/zinc/07/55/49/564075549.db2.gz VDCZCQRNIMAAED-QWHCGFSZSA-N 0 0 345.393 4.356 50 0 EIAARN CC(=O)[C@@H](C)n1c2ccccc2nc1SCCOc1ccccc1 ZINC000015860797 564076881 /nfs/dbraw/zinc/07/68/81/564076881.db2.gz UDCCYZVMIULNHW-CQSZACIVSA-N 0 0 340.448 4.357 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1ccccc1Cl)c1ccccc1O2 ZINC000015861293 564076971 /nfs/dbraw/zinc/07/69/71/564076971.db2.gz MHFNFUKLHROLET-CXAGYDPISA-N 0 0 330.840 4.275 50 0 EIAARN Cn1c(CCc2cccc(NC(=O)C3CCC3)c2)nc2ccccc21 ZINC000015863680 564077098 /nfs/dbraw/zinc/07/70/98/564077098.db2.gz DMKOBYSZWCIOCE-UHFFFAOYSA-N 0 0 333.435 4.097 50 0 EIAARN COC(=O)[C@@]12CCCC[C@H]1c1ccccc1N(Cc1ccccc1)C2=O ZINC000006169633 564077125 /nfs/dbraw/zinc/07/71/25/564077125.db2.gz KFMXHCOILPXXGL-AVRDEDQJSA-N 0 0 349.430 4.050 50 0 EIAARN CCC(=O)Nc1nc2cc(NC(=O)c3ccccc3F)ccc2s1 ZINC000015863754 564077129 /nfs/dbraw/zinc/07/71/29/564077129.db2.gz ZRIPDSSTQKSNJS-UHFFFAOYSA-N 0 0 343.383 4.036 50 0 EIAARN COc1ccc([C@@H](NCc2nc(C)cs2)c2ccc(F)cc2)cc1 ZINC000117384120 564077287 /nfs/dbraw/zinc/07/72/87/564077287.db2.gz XSFKDUNHNCZJSM-IBGZPJMESA-N 0 0 342.439 4.478 50 0 EIAARN O=C(CSc1nccn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000026127820 564077290 /nfs/dbraw/zinc/07/72/90/564077290.db2.gz MSMLHBBBHNGPRO-UHFFFAOYSA-N 0 0 330.359 4.126 50 0 EIAARN O=C(CSc1nncn1Cc1ccco1)c1ccc2ccccc2c1 ZINC000012885316 564077470 /nfs/dbraw/zinc/07/74/70/564077470.db2.gz SZWMQTKZNXSMSV-UHFFFAOYSA-N 0 0 349.415 4.048 50 0 EIAARN Cc1csc(SCCC(=O)Nc2ccc(Cl)cc2F)n1 ZINC000012910076 564077863 /nfs/dbraw/zinc/07/78/63/564077863.db2.gz HQSTXWOOWOPYFP-UHFFFAOYSA-N 0 0 330.837 4.365 50 0 EIAARN COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000012911365 564077949 /nfs/dbraw/zinc/07/79/49/564077949.db2.gz XMVDIDQLAZHLKV-LJQANCHMSA-N 0 0 349.434 4.391 50 0 EIAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012911667 564077993 /nfs/dbraw/zinc/07/79/93/564077993.db2.gz IMAIIZSZNRSKTQ-UHFFFAOYSA-N 0 0 349.217 4.138 50 0 EIAARN CCOc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1OC ZINC000012922191 564078385 /nfs/dbraw/zinc/07/83/85/564078385.db2.gz DGBLPTNSVWIBHZ-GOSISDBHSA-N 0 0 339.435 4.244 50 0 EIAARN CC(C)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000012925690 564078496 /nfs/dbraw/zinc/07/84/96/564078496.db2.gz HVEIZFWVHSSAGB-UHFFFAOYSA-N 0 0 341.436 4.493 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(C)cc(C)c1 ZINC000012927505 564078561 /nfs/dbraw/zinc/07/85/61/564078561.db2.gz IAUGXWMWNNKFKJ-UHFFFAOYSA-N 0 0 327.472 4.344 50 0 EIAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)co1 ZINC000015941437 564078587 /nfs/dbraw/zinc/07/85/87/564078587.db2.gz FRZVSFWKDJFVQD-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)co1 ZINC000015941445 564078632 /nfs/dbraw/zinc/07/86/32/564078632.db2.gz KCAUUTZPMXWYSI-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN CC(C)c1nnc(CCC(=O)N2CC(C)(C)Sc3ccccc32)o1 ZINC000088240686 564078664 /nfs/dbraw/zinc/07/86/64/564078664.db2.gz KJRWGCUQGVZXRW-UHFFFAOYSA-N 0 0 345.468 4.043 50 0 EIAARN Cc1ccc(C)c([C@@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000012930688 564078744 /nfs/dbraw/zinc/07/87/44/564078744.db2.gz HKVMECSBZKQILW-FOIQADDNSA-N 0 0 340.442 4.113 50 0 EIAARN O=C(CCC1CCCC1)Nc1ccccc1I ZINC000012932207 564078804 /nfs/dbraw/zinc/07/88/04/564078804.db2.gz XOBCDYSEOGRERD-UHFFFAOYSA-N 0 0 343.208 4.200 50 0 EIAARN CC(=O)Nc1ccc(F)c(NC(=O)N[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000088350966 564078990 /nfs/dbraw/zinc/07/89/90/564078990.db2.gz DHJGISXDCKIPDA-LLVKDONJSA-N 0 0 347.365 4.114 50 0 EIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)CSCc1ccccc1 ZINC000575415735 564079052 /nfs/dbraw/zinc/07/90/52/564079052.db2.gz ZQUSYLFSGFGPHW-OAHLLOKOSA-N 0 0 339.460 4.413 50 0 EIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)CSCc1ccccc1 ZINC000575415734 564079067 /nfs/dbraw/zinc/07/90/67/564079067.db2.gz ZQUSYLFSGFGPHW-HNNXBMFYSA-N 0 0 339.460 4.413 50 0 EIAARN COc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1C ZINC000016064374 564079598 /nfs/dbraw/zinc/07/95/98/564079598.db2.gz PBVBZPWWPYNBTD-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN Cc1cccc(NC(=O)N(Cc2ccccc2)[C@H](CO)C(C)C)c1C ZINC000075104718 564080017 /nfs/dbraw/zinc/08/00/17/564080017.db2.gz ITTVLDVWFNNCJM-HXUWFJFHSA-N 0 0 340.467 4.354 50 0 EIAARN Brc1c(-c2ccccc2)nn2c1nccc2-c1ccco1 ZINC000075260024 564081188 /nfs/dbraw/zinc/08/11/88/564081188.db2.gz AJFHAGRFXIGTSQ-UHFFFAOYSA-N 0 0 340.180 4.419 50 0 EIAARN C[C@@H](NC(=O)N1c2ccc(F)cc2C(=O)C[C@@H]1C)c1ccccc1 ZINC000075273227 564081392 /nfs/dbraw/zinc/08/13/92/564081392.db2.gz BOQINRZPWSWRQM-QWHCGFSZSA-N 0 0 326.371 4.078 50 0 EIAARN c1ccc(-c2nnc3n(-c4ccccc4)nc(-c4ccccc4)n23)cc1 ZINC000075279471 564081443 /nfs/dbraw/zinc/08/14/43/564081443.db2.gz CJJKVDVZDLZTQU-UHFFFAOYSA-N 0 0 337.386 4.249 50 0 EIAARN CCCC[C@@H](CC)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000075284186 564081601 /nfs/dbraw/zinc/08/16/01/564081601.db2.gz IJDDRQAEPXCTQV-MRXNPFEDSA-N 0 0 330.472 4.468 50 0 EIAARN Cc1nc2scc(-c3ccccc3)c2c(NCc2cnn(C)c2)n1 ZINC000053583611 564082065 /nfs/dbraw/zinc/08/20/65/564082065.db2.gz WSUGZZMPBMJPMO-UHFFFAOYSA-N 0 0 335.436 4.012 50 0 EIAARN CC(=O)c1ccccc1NC(=O)C=Cc1cccc(Br)c1 ZINC000008392767 564082246 /nfs/dbraw/zinc/08/22/46/564082246.db2.gz OELRCVOUKAISCW-MDZDMXLPSA-N 0 0 344.208 4.304 50 0 EIAARN COc1ccc(CN(Cc2cn3cc(Cl)ccc3n2)C2CC2)cc1 ZINC000016355047 564082260 /nfs/dbraw/zinc/08/22/60/564082260.db2.gz XZLOHIFCTGILNH-UHFFFAOYSA-N 0 0 341.842 4.161 50 0 EIAARN O=C(NCc1cncc(-c2ccco2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000575608907 564082485 /nfs/dbraw/zinc/08/24/85/564082485.db2.gz PXYGEEXZAWVYEN-UHFFFAOYSA-N 0 0 336.435 4.174 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)o1)c1ccccc1Br ZINC000575611860 564082713 /nfs/dbraw/zinc/08/27/13/564082713.db2.gz YQOUFRCCKVFYMI-UHFFFAOYSA-N 0 0 346.180 4.232 50 0 EIAARN O=C(CSc1nnc(-c2cccs2)o1)c1c[nH]c2ccccc21 ZINC000002619605 564082832 /nfs/dbraw/zinc/08/28/32/564082832.db2.gz RZBNRIDKYNHXFE-UHFFFAOYSA-N 0 0 341.417 4.254 50 0 EIAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1nncs1 ZINC000006254437 564083297 /nfs/dbraw/zinc/08/32/97/564083297.db2.gz ZJXGGSDVPOWFIL-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(C)o1 ZINC000006278957 564083513 /nfs/dbraw/zinc/08/35/13/564083513.db2.gz OHVPSNPAQFDTQM-UHFFFAOYSA-N 0 0 341.388 4.355 50 0 EIAARN O=C(Cc1cccc2ccccc21)NCc1cncc(-c2ccco2)c1 ZINC000575617462 564083548 /nfs/dbraw/zinc/08/35/48/564083548.db2.gz BVURHKATXXMGBM-UHFFFAOYSA-N 0 0 342.398 4.354 50 0 EIAARN C/C(=C\c1ccccc1)C(=O)N1CC[C@@H](n2c(C)nc3ccccc32)C1 ZINC000575618179 564083611 /nfs/dbraw/zinc/08/36/11/564083611.db2.gz SZIJQTVOYJRFLL-JRJUITNWSA-N 0 0 345.446 4.222 50 0 EIAARN O=C(CCSc1ccccc1)NCc1cncc(-c2ccco2)c1 ZINC000575619731 564083790 /nfs/dbraw/zinc/08/37/90/564083790.db2.gz YHBSUYJOAPBFTJ-UHFFFAOYSA-N 0 0 338.432 4.140 50 0 EIAARN Cc1nccn1-c1ccc([C@H](C)NCc2ccn(C3CCCC3)n2)cc1 ZINC000090547186 564084659 /nfs/dbraw/zinc/08/46/59/564084659.db2.gz KZIWOMTWDCZWHD-INIZCTEOSA-N 0 0 349.482 4.343 50 0 EIAARN CC1CCN(C(=O)c2cc3occc3c(Nc3ccccc3)n2)CC1 ZINC000075436734 564084734 /nfs/dbraw/zinc/08/47/34/564084734.db2.gz IDXLULFHAYSEFU-UHFFFAOYSA-N 0 0 335.407 4.444 50 0 EIAARN CC[C@H](C)NC(=O)CSCc1nc(-c2ccc(C)cc2)oc1C ZINC000006772242 564084895 /nfs/dbraw/zinc/08/48/95/564084895.db2.gz DPKLHSXJDNTFNI-ZDUSSCGKSA-N 0 0 332.469 4.106 50 0 EIAARN Cc1noc(-c2ccccc2)c1NC(=O)Cc1ccc(F)c(F)c1 ZINC000122670023 564085020 /nfs/dbraw/zinc/08/50/20/564085020.db2.gz XXACHSNQDGZUOI-UHFFFAOYSA-N 0 0 328.318 4.109 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=S)N3[C@H](C)CCC[C@H]3C)ccc12 ZINC000006399708 564085545 /nfs/dbraw/zinc/08/55/45/564085545.db2.gz CEIOOOQFRWKQHS-CHWSQXEVSA-N 0 0 330.453 4.061 50 0 EIAARN CCCn1c(C)nnc1SCc1csc(-c2ccccc2)n1 ZINC000006400373 564085552 /nfs/dbraw/zinc/08/55/52/564085552.db2.gz LGHHQYOUHZMOIR-UHFFFAOYSA-N 0 0 330.482 4.412 50 0 EIAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccccc2F)cc1 ZINC000006402775 564085583 /nfs/dbraw/zinc/08/55/83/564085583.db2.gz JCOHREUMMSWVJN-UHFFFAOYSA-N 0 0 349.431 4.268 50 0 EIAARN CCOc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 ZINC000006405756 564085653 /nfs/dbraw/zinc/08/56/53/564085653.db2.gz TZVMHALJDHUCSL-UHFFFAOYSA-N 0 0 326.421 4.266 50 0 EIAARN CCCc1nnc(NC(=O)[C@@H](c2ccccc2)C2CCCC2)s1 ZINC000018194395 564085677 /nfs/dbraw/zinc/08/56/77/564085677.db2.gz BFMZPJKZBOXOTE-INIZCTEOSA-N 0 0 329.469 4.403 50 0 EIAARN Cc1cnc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)s1 ZINC000006427061 564086206 /nfs/dbraw/zinc/08/62/06/564086206.db2.gz NKJRVKFOCVKPOP-UHFFFAOYSA-N 0 0 343.477 4.373 50 0 EIAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccccc1O ZINC000013002624 564086327 /nfs/dbraw/zinc/08/63/27/564086327.db2.gz OXQVWGQVZIGOLT-UHFFFAOYSA-N 0 0 344.823 4.350 50 0 EIAARN COC(=O)c1cc(NC(=O)CCC2CCCCC2)c(F)cc1F ZINC000013008008 564086474 /nfs/dbraw/zinc/08/64/74/564086474.db2.gz PIQYFQNMKJCCLE-UHFFFAOYSA-N 0 0 325.355 4.050 50 0 EIAARN CCC(C(=O)Nc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F ZINC000002831423 564087281 /nfs/dbraw/zinc/08/72/81/564087281.db2.gz OYXMHTIPIZXYCE-UHFFFAOYSA-N 0 0 329.240 4.155 50 0 EIAARN CC(C)c1ccc(-c2nc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000013015397 564086792 /nfs/dbraw/zinc/08/67/92/564086792.db2.gz TWVLHMKQKQAIKK-KBPBESRZSA-N 0 0 344.480 4.183 50 0 EIAARN Cc1ccc(-c2csc(=Nc3cccc(Cl)c3)n2CCO)cc1 ZINC000252673931 564086985 /nfs/dbraw/zinc/08/69/85/564086985.db2.gz RNJZKHNPIQJEHT-UHFFFAOYSA-N 0 0 344.867 4.403 50 0 EIAARN COc1ccc(OC)c(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000001753318 564087254 /nfs/dbraw/zinc/08/72/54/564087254.db2.gz DQUUGLXAHYPPBO-UHFFFAOYSA-N 0 0 340.301 4.367 50 0 EIAARN CCCn1cc(-c2ccncc2)cc1C(=O)N(C)Cc1ccccc1 ZINC000075509085 564087305 /nfs/dbraw/zinc/08/73/05/564087305.db2.gz WIEDHBKZYOPBBG-UHFFFAOYSA-N 0 0 333.435 4.232 50 0 EIAARN Cc1ccc(-c2nocc2CCC(=O)NCc2ccc(F)cc2)cc1 ZINC000075510176 564087357 /nfs/dbraw/zinc/08/73/57/564087357.db2.gz DIDXEUCCYCXWOC-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN Fc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 ZINC000001773910 564087493 /nfs/dbraw/zinc/08/74/93/564087493.db2.gz XCJWPTPCGFSNFQ-HNNXBMFYSA-N 0 0 327.750 4.118 50 0 EIAARN CCCCOc1ccccc1NC(=O)c1c(OC)cccc1OC ZINC000001777435 564087525 /nfs/dbraw/zinc/08/75/25/564087525.db2.gz GFWBIZCEICMCSB-UHFFFAOYSA-N 0 0 329.396 4.135 50 0 EIAARN C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)/C=C/c1ccccc1Cl ZINC000225598550 564087542 /nfs/dbraw/zinc/08/75/42/564087542.db2.gz HIHOUQMTDPQYNT-RCQQVGEISA-N 0 0 341.838 4.036 50 0 EIAARN CCOc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC ZINC000239338970 564088086 /nfs/dbraw/zinc/08/80/86/564088086.db2.gz LMWMFWUTOCUSMV-LALPHHSUSA-N 0 0 339.863 4.302 50 0 EIAARN CCCCCc1nc2sc3c(c2c(=O)n1N)CC[C@H](C(C)(C)C)C3 ZINC000001857036 564088934 /nfs/dbraw/zinc/08/89/34/564088934.db2.gz PQSXPSNBASJQMK-LBPRGKRZSA-N 0 0 347.528 4.056 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]34C)OCCO5)[C@H]1CC[C@@H]2O ZINC000247638762 564089238 /nfs/dbraw/zinc/08/92/38/564089238.db2.gz FYVKKXPWOJKVKR-YQXKYMSPSA-N 0 0 334.500 4.133 50 0 EIAARN c1c(CSc2nnc(Nc3ccccc3)s2)nc2ccccn12 ZINC000006465847 564089397 /nfs/dbraw/zinc/08/93/97/564089397.db2.gz OWCKHFQAFAHACX-UHFFFAOYSA-N 0 0 339.449 4.222 50 0 EIAARN Cc1c(C(=O)N2CCCCC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000075572183 564089610 /nfs/dbraw/zinc/08/96/10/564089610.db2.gz CCBYSYSVQSTDEO-UHFFFAOYSA-N 0 0 341.436 4.194 50 0 EIAARN CCC(CC)c1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 ZINC000002651590 564089639 /nfs/dbraw/zinc/08/96/39/564089639.db2.gz CIZFHUBTLNEZEG-UHFFFAOYSA-N 0 0 341.839 4.415 50 0 EIAARN CCc1ccccc1Oc1coc2cc(OC(=O)OC)ccc2c1=O ZINC000001916189 564089989 /nfs/dbraw/zinc/08/99/89/564089989.db2.gz ABPPGPPIAVNOEV-UHFFFAOYSA-N 0 0 340.331 4.293 50 0 EIAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccnc2)cc1 ZINC000007884100 564090064 /nfs/dbraw/zinc/09/00/64/564090064.db2.gz RBMWYNIKSDBZJR-FQEVSTJZSA-N 0 0 345.402 4.251 50 0 EIAARN Cc1nc([C@H]2CCCN2C(=O)Nc2ncc(C(C)C)s2)cs1 ZINC000192399950 564090137 /nfs/dbraw/zinc/09/01/37/564090137.db2.gz HSHTZRCIQNIRII-GFCCVEGCSA-N 0 0 336.486 4.400 50 0 EIAARN Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000001934471 564090294 /nfs/dbraw/zinc/09/02/94/564090294.db2.gz CYQWVGBDUNHUAB-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN C[C@H]1CCC[C@H](OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 ZINC000521394009 564090868 /nfs/dbraw/zinc/09/08/68/564090868.db2.gz HSNAAGPUGCCJQJ-PCODUJHASA-N 0 0 342.439 4.410 50 0 EIAARN Fc1cccc(Cl)c1CSc1nnc2[nH]c3ccccc3n21 ZINC000006507012 564091154 /nfs/dbraw/zinc/09/11/54/564091154.db2.gz IGNDSHCFAQRNFQ-UHFFFAOYSA-N 0 0 332.791 4.295 50 0 EIAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)nc2c1 ZINC000006506754 564091165 /nfs/dbraw/zinc/09/11/65/564091165.db2.gz RDAALDMDZZYDFI-SNVBAGLBSA-N 0 0 346.843 4.039 50 0 EIAARN Cc1c2c(nn1-c1ccc(SCc3ccccc3C)nn1)CCC2 ZINC000064459637 564091431 /nfs/dbraw/zinc/09/14/31/564091431.db2.gz DFWBOJGOCVMGQY-UHFFFAOYSA-N 0 0 336.464 4.060 50 0 EIAARN Cc1noc(C)c1[C@@H](C)NC(=O)N([C@@H](C)c1ccccc1F)C1CC1 ZINC000089526295 564091634 /nfs/dbraw/zinc/09/16/34/564091634.db2.gz KTUCSNNFQHCQEB-YPMHNXCESA-N 0 0 345.418 4.427 50 0 EIAARN CCC(CC)c1nnc(NC(=O)CCOc2cccc(C)c2)s1 ZINC000006543288 564091901 /nfs/dbraw/zinc/09/19/01/564091901.db2.gz GLQZVIWFIALTDH-UHFFFAOYSA-N 0 0 333.457 4.158 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)cc1 ZINC000006551694 564091948 /nfs/dbraw/zinc/09/19/48/564091948.db2.gz ZAWCNWXQHNGPSV-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN C[C@@H](Oc1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 ZINC000006553618 564092018 /nfs/dbraw/zinc/09/20/18/564092018.db2.gz YFNQXSGHWQVTDQ-SECBINFHSA-N 0 0 335.190 4.370 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CS[C@H](C)c1ccccc1 ZINC000006560357 564092069 /nfs/dbraw/zinc/09/20/69/564092069.db2.gz LAOOPSQLLGUFAD-CQSZACIVSA-N 0 0 345.464 4.485 50 0 EIAARN COc1ccc(C)cc1C(=O)CCC(=O)Nc1cccc2ncccc21 ZINC000006560507 564092073 /nfs/dbraw/zinc/09/20/73/564092073.db2.gz QDPVBVISOCASPT-UHFFFAOYSA-N 0 0 348.402 4.153 50 0 EIAARN CSc1ccccc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000192590451 564092081 /nfs/dbraw/zinc/09/20/81/564092081.db2.gz MXHDOWLUMLRRDE-UHFFFAOYSA-N 0 0 348.855 4.016 50 0 EIAARN CCc1ccc(C(=O)COC(=O)c2cccc(-n3cccc3)c2)s1 ZINC000006589869 564092432 /nfs/dbraw/zinc/09/24/32/564092432.db2.gz YFXCLCGJPJQFFK-UHFFFAOYSA-N 0 0 339.416 4.141 50 0 EIAARN Cc1noc(C)c1CSCC(=O)O[C@H](C(C)(C)C)C(F)(F)F ZINC000089532408 564092681 /nfs/dbraw/zinc/09/26/81/564092681.db2.gz ZTGWFUXHUIXSEU-GFCCVEGCSA-N 0 0 339.379 4.045 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c(C)n1 ZINC000426361234 564093476 /nfs/dbraw/zinc/09/34/76/564093476.db2.gz RZKKWFNSCIQOLD-UHFFFAOYSA-N 0 0 330.378 4.237 50 0 EIAARN COCCCN(Cc1ccc(C)cc1)C(=O)N[C@H](C)c1cccs1 ZINC000426401731 564093619 /nfs/dbraw/zinc/09/36/19/564093619.db2.gz HEAASZDAPCACED-MRXNPFEDSA-N 0 0 346.496 4.366 50 0 EIAARN CC[C@@H]1C=CCN1C(=O)c1ccc(-c2cc(F)c(OC)c(F)c2)cc1 ZINC000426497188 564093880 /nfs/dbraw/zinc/09/38/80/564093880.db2.gz ITGROOPOARYXLD-MRXNPFEDSA-N 0 0 343.373 4.431 50 0 EIAARN CCC[C@@H]1COCCN1C(=O)c1ccc(-c2cc(C)ccc2O)cc1 ZINC000426574890 564094145 /nfs/dbraw/zinc/09/41/45/564094145.db2.gz KUNKRLBUSIBCNK-GOSISDBHSA-N 0 0 339.435 4.009 50 0 EIAARN COc1ccc(-n2cnnc2SCc2cccc(Cl)c2)cc1 ZINC000006622249 564094548 /nfs/dbraw/zinc/09/45/48/564094548.db2.gz WJFWSBJLRRTPFB-UHFFFAOYSA-N 0 0 331.828 4.222 50 0 EIAARN O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(Br)o1 ZINC000006620053 564094581 /nfs/dbraw/zinc/09/45/81/564094581.db2.gz DCNKURWCACDELN-UHFFFAOYSA-N 0 0 348.152 4.054 50 0 EIAARN CCN1c2ccc(NC(=O)C3CC3)cc2Sc2ccccc2C1=O ZINC000064666645 564094946 /nfs/dbraw/zinc/09/49/46/564094946.db2.gz YLTGERIRFJICEF-UHFFFAOYSA-N 0 0 338.432 4.166 50 0 EIAARN O=C(Nc1nc(-c2cccs2)cs1)c1cnc2ccccc2n1 ZINC000006647139 564095050 /nfs/dbraw/zinc/09/50/50/564095050.db2.gz BKFYVYHRXWZAER-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN Cc1csc(N(C(=O)c2cnc3ccccc3n2)c2ccccc2)n1 ZINC000006649105 564095100 /nfs/dbraw/zinc/09/51/00/564095100.db2.gz HANHNHSIGHPPDZ-UHFFFAOYSA-N 0 0 346.415 4.373 50 0 EIAARN Cc1cc(C)cc(-n2ccn3cc(-c4ccc(C)c(C)c4)nc3c2=O)c1 ZINC000064675447 564095121 /nfs/dbraw/zinc/09/51/21/564095121.db2.gz WENQTXDUCXFJLG-UHFFFAOYSA-N 0 0 343.430 4.386 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)cs2)n1C ZINC000064676542 564095187 /nfs/dbraw/zinc/09/51/87/564095187.db2.gz UOKPCFRWYORYAC-UHFFFAOYSA-N 0 0 331.828 4.363 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3C)cs2)n1C ZINC000064676620 564095215 /nfs/dbraw/zinc/09/52/15/564095215.db2.gz JHGMFMFQPFJDTK-UHFFFAOYSA-N 0 0 329.400 4.157 50 0 EIAARN CCOc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1OC ZINC000006648953 564095303 /nfs/dbraw/zinc/09/53/03/564095303.db2.gz OLKJDKJCAQLQLM-UHFFFAOYSA-N 0 0 343.404 4.296 50 0 EIAARN COc1ccc(OC)c(C(=O)CSc2nc3ccccc3s2)c1 ZINC000006653580 564095481 /nfs/dbraw/zinc/09/54/81/564095481.db2.gz OACFPPBTOSOESR-UHFFFAOYSA-N 0 0 345.445 4.289 50 0 EIAARN COc1ccc(-n2c(C)c(C)c3c2ncnc3NCc2ccco2)cc1 ZINC000006670411 564095767 /nfs/dbraw/zinc/09/57/67/564095767.db2.gz UHVNZDTZLGQJQI-UHFFFAOYSA-N 0 0 348.406 4.251 50 0 EIAARN CC(C)CN(Cc1nccn1Cc1cccc(Cl)c1)C(=O)C(C)C ZINC000006689493 564095830 /nfs/dbraw/zinc/09/58/30/564095830.db2.gz SRQRGLLFWAWRCQ-UHFFFAOYSA-N 0 0 347.890 4.225 50 0 EIAARN Cc1ccc(NC2(c3nnnn3-c3ccccc3)CCCCC2)cc1 ZINC000006715323 564096336 /nfs/dbraw/zinc/09/63/36/564096336.db2.gz FMLDOJPUUUKXDH-UHFFFAOYSA-N 0 0 333.439 4.242 50 0 EIAARN CCOc1ccc2c(c1)N=C(c1ccccc1)NC(c1ccncc1)=N2 ZINC000006743715 564096798 /nfs/dbraw/zinc/09/67/98/564096798.db2.gz AJONUBNIHSIRQJ-UHFFFAOYSA-N 0 0 342.402 4.431 50 0 EIAARN CC(=O)NCCCCCc1nc2ccccc2n1Cc1cccc(C)c1 ZINC000006743458 564096848 /nfs/dbraw/zinc/09/68/48/564096848.db2.gz AKFABOCAPNIKGW-UHFFFAOYSA-N 0 0 349.478 4.242 50 0 EIAARN CC(C)C(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858484 564097119 /nfs/dbraw/zinc/09/71/19/564097119.db2.gz ZOBDYTWHUWKLNP-UHFFFAOYSA-N 0 0 343.858 4.030 50 0 biogenic EIAARN CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1c(C)cccc1C ZINC000006752379 564097177 /nfs/dbraw/zinc/09/71/77/564097177.db2.gz SRXSJMWYDAPSCD-HNNXBMFYSA-N 0 0 340.452 4.084 50 0 EIAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1nonc1-c1ccccc1 ZINC000006756503 564097279 /nfs/dbraw/zinc/09/72/79/564097279.db2.gz WNYORVKBABCFFP-UHFFFAOYSA-N 0 0 333.347 4.352 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC ZINC000006757827 564097284 /nfs/dbraw/zinc/09/72/84/564097284.db2.gz UATUWRBXKVSMJN-UHFFFAOYSA-N 0 0 338.407 4.444 50 0 EIAARN Fc1ccc(-c2nsc3c2ncnc3N2CCCCCC2)cc1 ZINC000006767463 564097369 /nfs/dbraw/zinc/09/73/69/564097369.db2.gz BDBUQGIJWUSCBB-UHFFFAOYSA-N 0 0 328.416 4.273 50 0 EIAARN Cc1cccc(NC(=O)Nc2nnc(N3CCC[C@H](C)C3)s2)c1C ZINC000006768377 564097412 /nfs/dbraw/zinc/09/74/12/564097412.db2.gz GYXADAFTZFKIDT-NSHDSACASA-N 0 0 345.472 4.035 50 0 EIAARN CCc1nn(-c2ccccc2Cl)c(CC)c1C(=O)N1CCCCC1 ZINC000006771304 564097506 /nfs/dbraw/zinc/09/75/06/564097506.db2.gz RDJPHUJIGMTPHR-UHFFFAOYSA-N 0 0 345.874 4.277 50 0 EIAARN COc1cccc(CN(C)C(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000006787984 564097792 /nfs/dbraw/zinc/09/77/92/564097792.db2.gz WZQUCNODHBUXMB-UHFFFAOYSA-N 0 0 349.430 4.131 50 0 EIAARN O=C(Nc1cccc(O)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000006788000 564097797 /nfs/dbraw/zinc/09/77/97/564097797.db2.gz MYTYGDGFWHPHRS-UHFFFAOYSA-N 0 0 330.343 4.453 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2ccc(C)cc2C)c(C)n1 ZINC000006788954 564097822 /nfs/dbraw/zinc/09/78/22/564097822.db2.gz LFENDGHKMHCPFS-UHFFFAOYSA-N 0 0 329.469 4.003 50 0 EIAARN CCc1ccc([C@H](NC(=O)Cc2ccc(OC)cc2)C(C)C)cc1 ZINC000006789908 564097881 /nfs/dbraw/zinc/09/78/81/564097881.db2.gz FDSYEULLHLIGAK-OAQYLSRUSA-N 0 0 325.452 4.314 50 0 EIAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000006789980 564097888 /nfs/dbraw/zinc/09/78/88/564097888.db2.gz DVHAYIINGNHFII-LJQANCHMSA-N 0 0 343.398 4.114 50 0 EIAARN CCCNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccccc1 ZINC000006798868 564098109 /nfs/dbraw/zinc/09/81/09/564098109.db2.gz RKGQDUPYHHZHFM-UHFFFAOYSA-N 0 0 340.448 4.468 50 0 EIAARN C[C@@H](CNC(=O)c1cc2sc(Cl)cc2n1C)c1ccccc1 ZINC000006804700 564098344 /nfs/dbraw/zinc/09/83/44/564098344.db2.gz QLYVMFDZHMMEMV-NSHDSACASA-N 0 0 332.856 4.427 50 0 EIAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1F ZINC000006810797 564098586 /nfs/dbraw/zinc/09/85/86/564098586.db2.gz MKNITRKCMSEKCI-UHFFFAOYSA-N 0 0 345.761 4.100 50 0 EIAARN CCc1ccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000006816166 564098680 /nfs/dbraw/zinc/09/86/80/564098680.db2.gz XAZRZNQGGDCTID-UHFFFAOYSA-N 0 0 334.423 4.007 50 0 EIAARN CSc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000006824261 564098908 /nfs/dbraw/zinc/09/89/08/564098908.db2.gz CLEXMFYPGWFGTK-SNVBAGLBSA-N 0 0 349.839 4.282 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2cccnc2)cs1 ZINC000006830354 564099029 /nfs/dbraw/zinc/09/90/29/564099029.db2.gz ZGRGJACHNDWJMI-UHFFFAOYSA-N 0 0 347.802 4.179 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 ZINC000006842725 564099463 /nfs/dbraw/zinc/09/94/63/564099463.db2.gz YJWZDEZRJZLHLI-GFCCVEGCSA-N 0 0 346.814 4.476 50 0 EIAARN CC[C@H]1CN(C(=O)NCc2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000006843088 564099494 /nfs/dbraw/zinc/09/94/94/564099494.db2.gz DZQRHJBYIOEZHV-HNNXBMFYSA-N 0 0 348.805 4.366 50 0 EIAARN CC(C)NC(=O)C1(c2ccc(NC(=O)C(C)C)cc2)CCCCC1 ZINC000065027390 564099646 /nfs/dbraw/zinc/09/96/46/564099646.db2.gz XFERECSHOVYNDX-UHFFFAOYSA-N 0 0 330.472 4.008 50 0 EIAARN CC(C)NC(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025537 564099654 /nfs/dbraw/zinc/09/96/54/564099654.db2.gz UJULZHKNUIZDGI-UHFFFAOYSA-N 0 0 338.455 4.026 50 0 EIAARN Cn1cc(CCC(=O)NCc2cccc(Cl)c2)c2ccccc21 ZINC000006857936 564099677 /nfs/dbraw/zinc/09/96/77/564099677.db2.gz KJFWGKGFTOHJQX-UHFFFAOYSA-N 0 0 326.827 4.081 50 0 EIAARN CCOc1ccc(Nc2cc(C(=O)OC)nc3ccc(C)cc32)cc1 ZINC000065033562 564099883 /nfs/dbraw/zinc/09/98/83/564099883.db2.gz VADAFJPUORKPLB-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN O=C(Nc1nc2ccccc2s1)c1ccc(OC(F)(F)F)cc1 ZINC000006886156 564100684 /nfs/dbraw/zinc/10/06/84/564100684.db2.gz JPMDUAYADMOFFH-UHFFFAOYSA-N 0 0 338.310 4.447 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2CC2)c1 ZINC000006888856 564100742 /nfs/dbraw/zinc/10/07/42/564100742.db2.gz VQGRWAHABGWGNB-UHFFFAOYSA-N 0 0 348.324 4.306 50 0 EIAARN Cc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1F ZINC000169775573 564100771 /nfs/dbraw/zinc/10/07/71/564100771.db2.gz TVVKFOJLJOOCTR-UHFFFAOYSA-N 0 0 347.353 4.385 50 0 EIAARN Cc1ccc(-c2c(=O)c(=O)c2Nc2ccc(F)c(Cl)c2)cc1C ZINC000006892986 564100886 /nfs/dbraw/zinc/10/08/86/564100886.db2.gz ZFVJKKFCVUNIML-UHFFFAOYSA-N 0 0 329.758 4.103 50 0 EIAARN Cc1ccc2c(C[NH2+]C3CC3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000006901225 564101099 /nfs/dbraw/zinc/10/10/99/564101099.db2.gz YILBHIGQFQLGIB-UHFFFAOYSA-N 0 0 348.446 4.257 50 0 EIAARN Cc1c(C)n(C)c2ccc(C(=O)NCCc3ccccc3Cl)cc12 ZINC000006912346 564101211 /nfs/dbraw/zinc/10/12/11/564101211.db2.gz IYQVMRIISWBAOP-UHFFFAOYSA-N 0 0 340.854 4.421 50 0 EIAARN CSc1cccc(NC(=O)c2noc3c2CCc2sccc2-3)c1 ZINC000006915956 564101345 /nfs/dbraw/zinc/10/13/45/564101345.db2.gz VLBHIJITCGCDLI-UHFFFAOYSA-N 0 0 342.445 4.476 50 0 EIAARN Cc1c(Cl)cccc1Nc1nn2c(nc3ccccc3c2=O)s1 ZINC000006918774 564101376 /nfs/dbraw/zinc/10/13/76/564101376.db2.gz QNIFJZIFGJHALE-UHFFFAOYSA-N 0 0 342.811 4.010 50 0 EIAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000006919805 564101388 /nfs/dbraw/zinc/10/13/88/564101388.db2.gz DLRNJMLSPPIQEQ-GFCCVEGCSA-N 0 0 338.432 4.490 50 0 EIAARN CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000065118445 564101441 /nfs/dbraw/zinc/10/14/41/564101441.db2.gz VVTORJDEYLTLBV-UHFFFAOYSA-N 0 0 331.828 4.402 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)c(C)c1 ZINC000065137242 564101506 /nfs/dbraw/zinc/10/15/06/564101506.db2.gz OFHSDPTUEOBXJL-UHFFFAOYSA-N 0 0 330.391 4.421 50 0 EIAARN COc1ccccc1C=Cc1nc(-c2cccc(-c3cc[nH]n3)c2)no1 ZINC000065137175 564101508 /nfs/dbraw/zinc/10/15/08/564101508.db2.gz LZVKEOZKOXWOEG-MDZDMXLPSA-N 0 0 344.374 4.306 50 0 EIAARN CCn1nccc1-c1cccc(-c2noc(-c3ccc(OC)cc3)n2)c1 ZINC000065137337 564101534 /nfs/dbraw/zinc/10/15/34/564101534.db2.gz RHJOAMRNXBHJQH-UHFFFAOYSA-N 0 0 346.390 4.296 50 0 EIAARN COc1ccccc1C1(CNC(=O)c2ccc3cc[nH]c3c2)CCCC1 ZINC000065140185 564101580 /nfs/dbraw/zinc/10/15/80/564101580.db2.gz GNARRIGAROVERR-UHFFFAOYSA-N 0 0 348.446 4.418 50 0 EIAARN CCn1cc2c3c1cccc3CN(C(=O)CCc1ccccc1)CC2 ZINC000065148627 564101594 /nfs/dbraw/zinc/10/15/94/564101594.db2.gz WKFNCVWIYIFXFX-UHFFFAOYSA-N 0 0 332.447 4.179 50 0 EIAARN Cc1ccc(NC(=O)N2CCc3cn(C)c4cccc(c34)C2)cc1C ZINC000065148846 564101624 /nfs/dbraw/zinc/10/16/24/564101624.db2.gz QCYHNHSNXTVOEX-UHFFFAOYSA-N 0 0 333.435 4.385 50 0 EIAARN CCn1cc2c3c1cccc3CN(C(=O)Nc1ccccc1F)CC2 ZINC000065148822 564101631 /nfs/dbraw/zinc/10/16/31/564101631.db2.gz DUHWZEXRBOJQNP-UHFFFAOYSA-N 0 0 337.398 4.391 50 0 EIAARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1cccc(F)c1 ZINC000065149409 564101725 /nfs/dbraw/zinc/10/17/25/564101725.db2.gz FMTNVCOPZIOEOC-UHFFFAOYSA-N 0 0 343.383 4.375 50 0 EIAARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccncc1 ZINC000006935004 564101733 /nfs/dbraw/zinc/10/17/33/564101733.db2.gz BWCWYBLPGSKELZ-KRWDZBQOSA-N 0 0 347.443 4.186 50 0 EIAARN Cc1cc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)no1 ZINC000006940985 564101964 /nfs/dbraw/zinc/10/19/64/564101964.db2.gz YJRPURONVVPRPC-UHFFFAOYSA-N 0 0 342.468 4.368 50 0 EIAARN Cc1nnc(SCC(=O)c2ccccc2F)n1C1CCCCC1 ZINC000006944340 564102016 /nfs/dbraw/zinc/10/20/16/564102016.db2.gz RICOKEHWKHNPPO-UHFFFAOYSA-N 0 0 333.432 4.206 50 0 EIAARN COc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2ccccc2)cc1 ZINC000065171143 564102187 /nfs/dbraw/zinc/10/21/87/564102187.db2.gz UWTTYZGMUBPVBH-UHFFFAOYSA-N 0 0 346.430 4.304 50 0 biogenic EIAARN O=C(NCc1cccnc1-c1ccccc1)c1ccc(Cl)s1 ZINC000065171419 564102280 /nfs/dbraw/zinc/10/22/80/564102280.db2.gz VHDUYIWYOZKTHG-UHFFFAOYSA-N 0 0 328.824 4.394 50 0 EIAARN CCc1ccc(NC(=O)c2sc(NCc3ccco3)nc2C)cc1 ZINC000065184679 564102453 /nfs/dbraw/zinc/10/24/53/564102453.db2.gz CRLLZENEAZZXFC-UHFFFAOYSA-N 0 0 341.436 4.471 50 0 EIAARN O=C(NC1CCCC1)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1 ZINC000065178206 564102519 /nfs/dbraw/zinc/10/25/19/564102519.db2.gz CGGAKFAEDYOTNP-UHFFFAOYSA-N 0 0 349.478 4.411 50 0 EIAARN Cc1ccccc1C(=O)NCc1ccc(-c2nc(C(C)C)no2)s1 ZINC000065196046 564102602 /nfs/dbraw/zinc/10/26/02/564102602.db2.gz NQJWEDJKMZHOQB-UHFFFAOYSA-N 0 0 341.436 4.160 50 0 EIAARN O=c1c(=O)c(-c2ccc3c(c2)CCCC3)c1Nc1cccc(Cl)c1 ZINC000007002170 564102969 /nfs/dbraw/zinc/10/29/69/564102969.db2.gz XFFGNXGVUWTXGM-UHFFFAOYSA-N 0 0 337.806 4.225 50 0 EIAARN c1coc(-c2cc(CSc3ccc4c(c3)OCCCO4)no2)c1 ZINC000007021728 564103321 /nfs/dbraw/zinc/10/33/21/564103321.db2.gz STBXLBCLDTZFQE-UHFFFAOYSA-N 0 0 329.377 4.388 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc32)CC1 ZINC000065254928 564103489 /nfs/dbraw/zinc/10/34/89/564103489.db2.gz PAWMFJUEQUEPDG-UHFFFAOYSA-N 0 0 340.854 4.007 50 0 EIAARN Fc1cccc(CN2CCCn3nc(-c4cccc(F)c4)cc3C2)c1 ZINC000065270449 564103814 /nfs/dbraw/zinc/10/38/14/564103814.db2.gz FIMNMEPIQIDVSC-UHFFFAOYSA-N 0 0 339.389 4.234 50 0 EIAARN O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nc2c(s1)CCC2 ZINC000524735765 564103886 /nfs/dbraw/zinc/10/38/86/564103886.db2.gz XSPCYLAASOMSFX-AWEZNQCLSA-N 0 0 343.477 4.113 50 0 EIAARN Cc1ccc(N2C(=N)S[C@@H](Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000036635940 564104011 /nfs/dbraw/zinc/10/40/11/564104011.db2.gz NXAMGLMRYGHIKV-HNNXBMFYSA-N 0 0 330.840 4.274 50 0 EIAARN Cc1cccc(CN2CCCC[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286075 564104324 /nfs/dbraw/zinc/10/43/24/564104324.db2.gz GMDQTTJYHHSZFV-SFHVURJKSA-N 0 0 334.423 4.167 50 0 EIAARN COc1ccc(CNC(=S)N2CCCSc3ccccc32)cc1 ZINC000007101791 564104927 /nfs/dbraw/zinc/10/49/27/564104927.db2.gz SISBGSITMNUCNS-UHFFFAOYSA-N 0 0 344.505 4.072 50 0 EIAARN C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000007108320 564104939 /nfs/dbraw/zinc/10/49/39/564104939.db2.gz CPXHCZDUOLUZTF-AWEZNQCLSA-N 0 0 325.408 4.290 50 0 EIAARN CCCn1c(CN2CCCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000065322475 564105274 /nfs/dbraw/zinc/10/52/74/564105274.db2.gz CFPTUZHXWRHDNH-UHFFFAOYSA-N 0 0 342.487 4.027 50 0 EIAARN O=C1C[C@@H](c2ccc3ccccc3c2)c2cnn(-c3ccccc3)c2N1 ZINC000065331148 564105321 /nfs/dbraw/zinc/10/53/21/564105321.db2.gz SKIIQZJROJSASR-IBGZPJMESA-N 0 0 339.398 4.500 50 0 EIAARN O=C1C[C@@H](c2ccccc2F)c2cnn(-c3ccc(Cl)cc3)c2N1 ZINC000065331312 564105332 /nfs/dbraw/zinc/10/53/32/564105332.db2.gz TZAHBVKXEWLPAN-AWEZNQCLSA-N 0 0 341.773 4.139 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000065438865 564105997 /nfs/dbraw/zinc/10/59/97/564105997.db2.gz QALKZAUFFGGZLT-UHFFFAOYSA-N 0 0 345.296 4.113 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2cccc(Cl)c2)cc1 ZINC000007267335 564106109 /nfs/dbraw/zinc/10/61/09/564106109.db2.gz BKCGPRHWXSXFIX-ZDUSSCGKSA-N 0 0 344.842 4.002 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000007269226 564106194 /nfs/dbraw/zinc/10/61/94/564106194.db2.gz GNCDALBFOQIXCD-RHSMWYFYSA-N 0 0 327.449 4.116 50 0 EIAARN O=C1CCc2cc(-c3csc(=NNc4ccccc4)[nH]3)ccc2N1 ZINC000007273779 564106293 /nfs/dbraw/zinc/10/62/93/564106293.db2.gz SMSUVEOGJKGFQT-UHFFFAOYSA-N 0 0 336.420 4.134 50 0 EIAARN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000065491116 564106416 /nfs/dbraw/zinc/10/64/16/564106416.db2.gz IGLCUIUJSQUBEK-ZFWWWQNUSA-N 0 0 339.391 4.109 50 0 EIAARN Cc1ccccc1CN(Cc1ccccn1)C(=O)CCc1ccco1 ZINC000065563695 564107017 /nfs/dbraw/zinc/10/70/17/564107017.db2.gz UFRAQZUBPYRSMP-UHFFFAOYSA-N 0 0 334.419 4.145 50 0 EIAARN NC(=O)Nc1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000007344752 564107300 /nfs/dbraw/zinc/10/73/00/564107300.db2.gz WRGYSBJHLMGKRV-UHFFFAOYSA-N 0 0 345.402 4.020 50 0 EIAARN O=C(c1cc(Cl)ccn1)N(c1cccc2cccnc21)C1CCC1 ZINC000065553753 564107545 /nfs/dbraw/zinc/10/75/45/564107545.db2.gz JMZKXKLLRHYPJQ-UHFFFAOYSA-N 0 0 337.810 4.483 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)s1 ZINC000007392833 564107756 /nfs/dbraw/zinc/10/77/56/564107756.db2.gz ATFGRFXOSNOSEA-UHFFFAOYSA-N 0 0 330.434 4.390 50 0 EIAARN COCc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000007399347 564107767 /nfs/dbraw/zinc/10/77/67/564107767.db2.gz XXGRDXXZNWGEJB-UHFFFAOYSA-N 0 0 332.812 4.348 50 0 EIAARN O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(n2ccnc2)CC1 ZINC000065586034 564107828 /nfs/dbraw/zinc/10/78/28/564107828.db2.gz YPBZYWWVGIQGFG-UHFFFAOYSA-N 0 0 346.434 4.419 50 0 EIAARN CCCC[C@H](Sc1nccn1-c1ccccc1C(C)C)C(N)=O ZINC000065591325 564107875 /nfs/dbraw/zinc/10/78/75/564107875.db2.gz OHZIUVKYQFFLDR-INIZCTEOSA-N 0 0 331.485 4.132 50 0 EIAARN Cc1cc(C(=O)N2CCn3cccc3[C@@H]2C)c(C)n1Cc1ccccc1 ZINC000065610887 564108316 /nfs/dbraw/zinc/10/83/16/564108316.db2.gz XNNOUKAKRPJRIU-SFHVURJKSA-N 0 0 347.462 4.172 50 0 EIAARN C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)c1ccc(Cl)cc1 ZINC000007442245 564108596 /nfs/dbraw/zinc/10/85/96/564108596.db2.gz KJFOLSDEPLKKPU-JTQLQIEISA-N 0 0 347.827 4.092 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000003481123 564108753 /nfs/dbraw/zinc/10/87/53/564108753.db2.gz BAJMXOPTGGNEEP-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN Cc1ccc(OCCC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c(C)c1 ZINC000170594669 564109044 /nfs/dbraw/zinc/10/90/44/564109044.db2.gz KZWADBPSBYWHMG-LPHOPBHVSA-N 0 0 338.451 4.077 50 0 EIAARN O=C(NCc1cc2ccccc2o1)Nc1cnc(-c2ccccc2)nc1 ZINC000170594787 564109070 /nfs/dbraw/zinc/10/90/70/564109070.db2.gz BRRQXJCXVSGWSS-UHFFFAOYSA-N 0 0 344.374 4.212 50 0 EIAARN Cc1cc(-c2nnc(CN[C@@H](C)c3ccccc3Cl)o2)c(C)o1 ZINC000007499797 564109283 /nfs/dbraw/zinc/10/92/83/564109283.db2.gz SJIRYZAGGIHOLN-NSHDSACASA-N 0 0 331.803 4.451 50 0 EIAARN C[C@H](CCn1cncn1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000170604720 564109467 /nfs/dbraw/zinc/10/94/67/564109467.db2.gz RALLHCROMJTYPZ-CYBMUJFWSA-N 0 0 334.851 4.001 50 0 EIAARN Clc1cnccc1Sc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000170603383 564109534 /nfs/dbraw/zinc/10/95/34/564109534.db2.gz GKYWBHOQMDOZDW-UHFFFAOYSA-N 0 0 328.828 4.344 50 0 EIAARN CCc1cnc(CCNc2ncc(Cl)cc2Br)s1 ZINC000170603446 564109506 /nfs/dbraw/zinc/10/95/06/564109506.db2.gz SOXKDCSAUYNSFC-UHFFFAOYSA-N 0 0 346.681 4.171 50 0 EIAARN CCOc1cccc(CNc2n[nH]c3ccccc32)c1OC(F)F ZINC000170609073 564109696 /nfs/dbraw/zinc/10/96/96/564109696.db2.gz RTAJMTIIBSPKDB-UHFFFAOYSA-N 0 0 333.338 4.175 50 0 EIAARN COc1cccc(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 ZINC000007526100 564109837 /nfs/dbraw/zinc/10/98/37/564109837.db2.gz RZZNLJZWUWZDMS-UHFFFAOYSA-N 0 0 340.492 4.347 50 0 EIAARN O=c1[nH]c(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cs1 ZINC000170613059 564109902 /nfs/dbraw/zinc/10/99/02/564109902.db2.gz VDBHJIDVRJXMJY-ZDUSSCGKSA-N 0 0 345.811 4.349 50 0 EIAARN Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1ccncc1 ZINC000170616688 564110038 /nfs/dbraw/zinc/11/00/38/564110038.db2.gz HZVQIBRVMXBGJK-UHFFFAOYSA-N 0 0 331.481 4.111 50 0 EIAARN COc1cc(Cl)c(C)cc1N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000007546263 564110328 /nfs/dbraw/zinc/11/03/28/564110328.db2.gz GZLHPEAYNBXFGA-SFHVURJKSA-N 0 0 344.842 4.089 50 0 EIAARN Cn1cccc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000170624830 564110399 /nfs/dbraw/zinc/11/03/99/564110399.db2.gz HITNASJSJZCBQI-UHFFFAOYSA-N 0 0 335.338 4.225 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(CC=CCC4)C3)[nH]n2)cc1 ZINC000170626863 564110536 /nfs/dbraw/zinc/11/05/36/564110536.db2.gz LJYAUBKPCBZSHT-NRFANRHFSA-N 0 0 335.451 4.348 50 0 EIAARN COc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)cc2occc21 ZINC000071195340 564110771 /nfs/dbraw/zinc/11/07/71/564110771.db2.gz HDHOWQCEUJCTNV-UHFFFAOYSA-N 0 0 327.384 4.088 50 0 EIAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc1OC ZINC000071284627 564110884 /nfs/dbraw/zinc/11/08/84/564110884.db2.gz XRLRXGNNSNTAOG-OAHLLOKOSA-N 0 0 347.440 4.073 50 0 EIAARN COc1ccc(-c2nc(COC(=O)c3cc4ccccc4[nH]3)co2)cc1 ZINC000042683555 564111080 /nfs/dbraw/zinc/11/10/80/564111080.db2.gz NXBYIGASZRZWIB-UHFFFAOYSA-N 0 0 348.358 4.189 50 0 EIAARN CC(C)c1nc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000071819606 564111236 /nfs/dbraw/zinc/11/12/36/564111236.db2.gz LAHUIJYGVVCZPU-LBPRGKRZSA-N 0 0 329.469 4.002 50 0 EIAARN Cc1cccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)C[C@@H]2C)c1 ZINC000013320321 564111420 /nfs/dbraw/zinc/11/14/20/564111420.db2.gz KFTVBSCUTICSLM-INIZCTEOSA-N 0 0 341.430 4.185 50 0 EIAARN COc1cccc(CSc2nnc(-c3csc(C)c3)n2C)c1 ZINC000013325582 564111517 /nfs/dbraw/zinc/11/15/17/564111517.db2.gz ZAYVJXFFVKAFJA-UHFFFAOYSA-N 0 0 331.466 4.153 50 0 EIAARN CCCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000013331558 564111631 /nfs/dbraw/zinc/11/16/31/564111631.db2.gz MPCUPSRFRUWOEV-UHFFFAOYSA-N 0 0 348.899 4.316 50 0 EIAARN CC[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000013330194 564111636 /nfs/dbraw/zinc/11/16/36/564111636.db2.gz AMQFZLIKWKPCOW-HNNXBMFYSA-N 0 0 346.814 4.384 50 0 EIAARN COC(=O)N[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004029852 564111659 /nfs/dbraw/zinc/11/16/59/564111659.db2.gz CEZKLEHYJURHTB-GLACIROUSA-N 0 0 349.515 4.115 50 0 biogenic EIAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc2C1 ZINC000014396888 564112467 /nfs/dbraw/zinc/11/24/67/564112467.db2.gz GGGOQCQYUFEHGR-INIZCTEOSA-N 0 0 337.463 4.336 50 0 EIAARN Cc1cc(N2CCCC[C@H]2c2ccc(C(C)C)cc2)n2ncnc2n1 ZINC000089598849 564112634 /nfs/dbraw/zinc/11/26/34/564112634.db2.gz UZXBONXWQKKWGK-SFHVURJKSA-N 0 0 335.455 4.288 50 0 EIAARN Cc1ccc(OC(F)F)c(CNc2ccc(N3CCOC3=O)cc2)c1 ZINC000089616568 564112730 /nfs/dbraw/zinc/11/27/30/564112730.db2.gz TUAWZKKZBAAYIZ-UHFFFAOYSA-N 0 0 348.349 4.165 50 0 EIAARN Cc1ccc(Oc2ccc(NCc3nnc(-c4ccco4)o3)cc2)nc1 ZINC000089652317 564112968 /nfs/dbraw/zinc/11/29/68/564112968.db2.gz KAZMQACERHDDNG-UHFFFAOYSA-N 0 0 348.362 4.437 50 0 EIAARN O=C(Nc1c(F)cccc1NC1CC1)c1ccc(C(F)(F)F)nc1 ZINC000089768189 564113600 /nfs/dbraw/zinc/11/36/00/564113600.db2.gz RFIPEECOTWKLNG-UHFFFAOYSA-N 0 0 339.292 4.066 50 0 EIAARN COc1ccc(-c2noc(-c3cc(-c4cc(C)ccc4C)[nH]n3)n2)cc1 ZINC000016846825 564113829 /nfs/dbraw/zinc/11/38/29/564113829.db2.gz FXZPEUSVEJJXCA-UHFFFAOYSA-N 0 0 346.390 4.419 50 0 EIAARN C[C@@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)c2ccccc2S1 ZINC000089824724 564114135 /nfs/dbraw/zinc/11/41/35/564114135.db2.gz IZTKFIDZDBWFKU-YPMHNXCESA-N 0 0 346.477 4.136 50 0 EIAARN CC(C)Cc1noc(CN2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089856562 564114393 /nfs/dbraw/zinc/11/43/93/564114393.db2.gz UBIFILIJOYCWCF-UHFFFAOYSA-N 0 0 336.439 4.039 50 0 EIAARN c1nc(CSc2nnc(NC3CC3)s2)oc1-c1ccccc1 ZINC000007577634 564114957 /nfs/dbraw/zinc/11/49/57/564114957.db2.gz UOKQCKKDLONHJG-UHFFFAOYSA-N 0 0 330.438 4.060 50 0 EIAARN CC(=O)Nc1ccc(F)c(C(=O)N2CCCC3(C2)CCCCCC3)c1 ZINC000076067114 564115291 /nfs/dbraw/zinc/11/52/91/564115291.db2.gz XNQPXKNQUYHDKN-UHFFFAOYSA-N 0 0 346.446 4.361 50 0 EIAARN Cc1cc2c(cc1C)[C@H](N(C(=O)CCOC(C)C)C1CC1)CCCO2 ZINC000076093395 564115707 /nfs/dbraw/zinc/11/57/07/564115707.db2.gz UELICCNBOJQZPH-LJQANCHMSA-N 0 0 345.483 4.323 50 0 EIAARN Cc1c(NC(=O)C(F)(F)F)cccc1-c1nc2cccnc2s1 ZINC000016991408 564115964 /nfs/dbraw/zinc/11/59/64/564115964.db2.gz HDZATRLIDGEELS-UHFFFAOYSA-N 0 0 337.326 4.168 50 0 EIAARN Cc1ccc(F)c(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202589 564116445 /nfs/dbraw/zinc/11/64/45/564116445.db2.gz WHSPVJGFWQERPK-INIZCTEOSA-N 0 0 331.778 4.050 50 0 EIAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccccc1 ZINC000017115806 564116451 /nfs/dbraw/zinc/11/64/51/564116451.db2.gz YVVKEHXFVLURNP-UHFFFAOYSA-N 0 0 336.357 4.090 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3N2CCc3ccccc32)cc1C ZINC000017120370 564116485 /nfs/dbraw/zinc/11/64/85/564116485.db2.gz VTCMAIGETZHCEF-UHFFFAOYSA-N 0 0 341.418 4.127 50 0 EIAARN CCOc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1Cl ZINC000000469606 564116737 /nfs/dbraw/zinc/11/67/37/564116737.db2.gz DRGHRVZMLSGPSU-UHFFFAOYSA-N 0 0 326.179 4.350 50 0 EIAARN C[C@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 ZINC000017242183 564116768 /nfs/dbraw/zinc/11/67/68/564116768.db2.gz ACIHXFGAEPNSCL-ZDUSSCGKSA-N 0 0 333.370 4.128 50 0 EIAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccco1)c1cccs1 ZINC000000937003 564116796 /nfs/dbraw/zinc/11/67/96/564116796.db2.gz PQHDCVHELRTMQG-UHFFFAOYSA-N 0 0 338.340 4.334 50 0 EIAARN CC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000002092810 564117568 /nfs/dbraw/zinc/11/75/68/564117568.db2.gz VLJBAHSCBUFIGT-IEBWSBKVSA-N 0 0 335.488 4.496 50 0 biogenic EIAARN Cc1ccc(Cl)cc1N1COc2ccc3c(C)cc(=O)oc3c2C1 ZINC000002113481 564118069 /nfs/dbraw/zinc/11/80/69/564118069.db2.gz YUKURUZRXMIKAE-UHFFFAOYSA-N 0 0 341.794 4.420 50 0 biogenic EIAARN Cc1ccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc1 ZINC000002120602 564118399 /nfs/dbraw/zinc/11/83/99/564118399.db2.gz YIRBFJCGRFWUHN-UHFFFAOYSA-N 0 0 335.403 4.383 50 0 biogenic EIAARN Cc1cc(C)n(-c2nc(C)cc(Nc3ccc(C)c(Cl)c3)n2)n1 ZINC000007596887 564118951 /nfs/dbraw/zinc/11/89/51/564118951.db2.gz HVURTBMIFHOUQO-UHFFFAOYSA-N 0 0 327.819 4.293 50 0 EIAARN C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)CCC(F)(F)F ZINC000252481210 564119211 /nfs/dbraw/zinc/11/92/11/564119211.db2.gz CIMLFMCIULDKCD-IJSAXESFSA-N 0 0 334.281 4.347 50 0 EIAARN C[C@@H](Oc1ccc(C(=O)NCCc2cccnc2)cc1)c1ccccc1 ZINC000252485680 564119317 /nfs/dbraw/zinc/11/93/17/564119317.db2.gz HBPHUHJCFDBCFT-QGZVFWFLSA-N 0 0 346.430 4.194 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)Oc1ccccc1 ZINC000002153209 564119551 /nfs/dbraw/zinc/11/95/51/564119551.db2.gz MLSFJZPDNKKTFK-UHFFFAOYSA-N 0 0 347.239 4.196 50 0 EIAARN COc1ccc(C(=O)NCC[C@@H](c2ccc(OC)cc2)C(C)C)cc1 ZINC000002152146 564119563 /nfs/dbraw/zinc/11/95/63/564119563.db2.gz AAYRVMMRAOCUQU-HXUWFJFHSA-N 0 0 341.451 4.264 50 0 biogenic EIAARN Cc1nnc(-c2ccc(NC(=O)c3cccc(Cl)c3C)cc2)o1 ZINC000252491737 564119582 /nfs/dbraw/zinc/11/95/82/564119582.db2.gz LRSMKWHNNXRLBX-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)Cc1cccs1 ZINC000252494122 564119656 /nfs/dbraw/zinc/11/96/56/564119656.db2.gz NLUJNLFVPNMHII-LBPRGKRZSA-N 0 0 337.872 4.090 50 0 EIAARN O=C(Nc1ccc(SC(F)F)nc1)c1ccoc1Br ZINC000193922950 564120366 /nfs/dbraw/zinc/12/03/66/564120366.db2.gz VLJGAFGHSGZBPM-UHFFFAOYSA-N 0 0 349.156 4.004 50 0 EIAARN C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCC2(CCC2)C1 ZINC000170662341 564121251 /nfs/dbraw/zinc/12/12/51/564121251.db2.gz AYFHIRMGDJTOKD-NSHDSACASA-N 0 0 327.255 4.196 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(F)cc1F)c1ccccc1OC(F)F ZINC000027358824 564121087 /nfs/dbraw/zinc/12/10/87/564121087.db2.gz OIPYHPRJZHAZJJ-CQSZACIVSA-N 0 0 341.304 4.447 50 0 EIAARN CC[C@@H](C)NC(=O)Cn1c(Cc2ccccc2)nc2cc(C)c(C)cc21 ZINC000037398243 564121180 /nfs/dbraw/zinc/12/11/80/564121180.db2.gz GPMLEROAMUXRKN-QGZVFWFLSA-N 0 0 349.478 4.159 50 0 EIAARN COc1ccc(CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000007651752 564121573 /nfs/dbraw/zinc/12/15/73/564121573.db2.gz RXQZJKGYBRDBDU-UHFFFAOYSA-N 0 0 327.424 4.200 50 0 EIAARN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2F)ccc1Cl ZINC000007671803 564121789 /nfs/dbraw/zinc/12/17/89/564121789.db2.gz OFYGTHKBEUEKSM-NSHDSACASA-N 0 0 339.769 4.183 50 0 EIAARN Cc1cc(C)c(NC(=O)COC(=O)CCC2CCCCC2)c(C)c1 ZINC000007701834 564122112 /nfs/dbraw/zinc/12/21/12/564122112.db2.gz KVZUQKKVALJJRM-UHFFFAOYSA-N 0 0 331.456 4.454 50 0 EIAARN Cc1cc2nc(NCCc3ccc(Cl)cc3)c3ccccc3n2n1 ZINC000007735847 564122417 /nfs/dbraw/zinc/12/24/17/564122417.db2.gz YOTNPPCMWGHTBD-UHFFFAOYSA-N 0 0 336.826 4.499 50 0 EIAARN O=C(OCc1nnc(-c2cccs2)o1)c1cc2c(s1)CCCC2 ZINC000007737957 564122537 /nfs/dbraw/zinc/12/25/37/564122537.db2.gz ZUOWRPFIZSAQHR-UHFFFAOYSA-N 0 0 346.433 4.095 50 0 EIAARN COc1ccc(OC)c(-c2csc(NC(=O)CCC(C)C)n2)c1 ZINC000007757696 564122745 /nfs/dbraw/zinc/12/27/45/564122745.db2.gz DLZNTIREVPLGGU-UHFFFAOYSA-N 0 0 334.441 4.202 50 0 EIAARN COc1ccc(Cl)cc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000007777490 564123018 /nfs/dbraw/zinc/12/30/18/564123018.db2.gz NWMPKDAGFAMCPG-AWEZNQCLSA-N 0 0 333.840 4.316 50 0 EIAARN C[C@H](Nc1cccc(N2CCCNC2=O)c1)c1cc(F)c(F)c(F)c1 ZINC000195552509 564123718 /nfs/dbraw/zinc/12/37/18/564123718.db2.gz VZVOVBFHPVYNCT-NSHDSACASA-N 0 0 349.356 4.197 50 0 EIAARN C[S@](=O)Cc1cc(NCc2cccc(F)c2F)ccc1Cl ZINC000195559124 564123816 /nfs/dbraw/zinc/12/38/16/564123816.db2.gz PHOXIYGXYHBPPW-NRFANRHFSA-N 0 0 329.799 4.109 50 0 EIAARN C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000007811940 564123965 /nfs/dbraw/zinc/12/39/65/564123965.db2.gz BNVNGPYGYNSMGN-QZTJIDSGSA-N 0 0 336.479 4.194 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)N1CCc2sccc2[C@@H]1C ZINC000007829493 564124074 /nfs/dbraw/zinc/12/40/74/564124074.db2.gz HRWFUIWOYNLIKA-LBPRGKRZSA-N 0 0 335.856 4.235 50 0 EIAARN Cc1cccc(-c2noc(CCC(=O)Nc3ccc(C)cc3C)n2)c1 ZINC000002224263 564124106 /nfs/dbraw/zinc/12/41/06/564124106.db2.gz OENJUECOLYBMHZ-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN Cc1cc2oc(=O)cc(CSc3cccc[n+]3[O-])c2cc1C(C)C ZINC000007837877 564124167 /nfs/dbraw/zinc/12/41/67/564124167.db2.gz BLZZXIOXDGQDDB-UHFFFAOYSA-N 0 0 341.432 4.151 50 0 EIAARN Fc1ccc(N=C2NN=C(c3cc4ccccc4o3)CS2)cc1 ZINC000007849483 564124237 /nfs/dbraw/zinc/12/42/37/564124237.db2.gz MVGOGOOXLJWVHB-UHFFFAOYSA-N 0 0 325.368 4.491 50 0 EIAARN O=C(COc1cccc(F)c1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007885501 564124377 /nfs/dbraw/zinc/12/43/77/564124377.db2.gz HWEDXCALZKVBEF-LJQANCHMSA-N 0 0 341.407 4.172 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2cc(Br)cs2)N1C1CC1 ZINC000007886109 564124417 /nfs/dbraw/zinc/12/44/17/564124417.db2.gz GCZZFKTUJVYORR-CQSZACIVSA-N 0 0 349.253 4.240 50 0 EIAARN Cc1ccc(-c2nn3c(-c4ccncc4)nnc3c3ccccc32)cc1 ZINC000002230484 564124863 /nfs/dbraw/zinc/12/48/63/564124863.db2.gz DTHDRPYBKOWBPF-UHFFFAOYSA-N 0 0 337.386 4.315 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000252679715 564124902 /nfs/dbraw/zinc/12/49/02/564124902.db2.gz QFAWQQNGFBZYOO-UFYCRDLUSA-N 0 0 336.435 4.098 50 0 EIAARN CCn1cc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 ZINC000002762103 564125014 /nfs/dbraw/zinc/12/50/14/564125014.db2.gz HRUAIZXIQBSOSN-MDWZMJQESA-N 0 0 347.418 4.134 50 0 EIAARN COc1ccc(/C=C/C(=O)OCc2ccc(Cl)cc2)cc1OC ZINC000001961910 564125023 /nfs/dbraw/zinc/12/50/23/564125023.db2.gz BGOULNUDVGZILW-UXBLZVDNSA-N 0 0 332.783 4.114 50 0 EIAARN Cc1ccc([C@@H](Nc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000007907528 564125060 /nfs/dbraw/zinc/12/50/60/564125060.db2.gz BQEAZYUTNHDQFH-GOSISDBHSA-N 0 0 347.447 4.234 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2ccccc2Cl)c(C)n1 ZINC000007908695 564125063 /nfs/dbraw/zinc/12/50/63/564125063.db2.gz OTDGMBAHAAMGAK-UHFFFAOYSA-N 0 0 335.860 4.040 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2ccc(C)c(C)c2)c(C)n1 ZINC000007915296 564125104 /nfs/dbraw/zinc/12/51/04/564125104.db2.gz RDZJEMPFKPUFKK-UHFFFAOYSA-N 0 0 329.469 4.003 50 0 EIAARN COc1ccc(-n2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1 ZINC000002268985 564125376 /nfs/dbraw/zinc/12/53/76/564125376.db2.gz HNWYCHMGVQSJIB-UHFFFAOYSA-N 0 0 342.398 4.370 50 0 EIAARN C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000015330059 564125456 /nfs/dbraw/zinc/12/54/56/564125456.db2.gz YHNJCWLYJDFKHP-OAHLLOKOSA-N 0 0 325.433 4.020 50 0 EIAARN CCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCC4)cc1 ZINC000060479530 564128603 /nfs/dbraw/zinc/12/86/03/564128603.db2.gz IRSZWWJXWUQSTJ-UHFFFAOYSA-N 0 0 340.448 4.319 50 0 EIAARN C/C(=N\N)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\N)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000005033651 564128981 /nfs/dbraw/zinc/12/89/81/564128981.db2.gz WVLSVRGWXOQKDI-JRUYLSLVSA-N 0 0 342.531 4.215 50 0 EIAARN CN(Cc1ccccc1)c1ncnc2c1ncn2-c1ccc(Cl)cc1 ZINC000019926024 564129095 /nfs/dbraw/zinc/12/90/95/564129095.db2.gz STFQTRBHTUPYHJ-UHFFFAOYSA-N 0 0 349.825 4.105 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc(O)cc1 ZINC000028088675 564129144 /nfs/dbraw/zinc/12/91/44/564129144.db2.gz KITITDYABYIKHL-UHFFFAOYSA-N 0 0 342.445 4.247 50 0 EIAARN Cc1ccc(NC(=O)NCCCOC2CCCC2)c2cccnc12 ZINC000143338160 564129570 /nfs/dbraw/zinc/12/95/70/564129570.db2.gz YYAOMDPLZCGMTO-UHFFFAOYSA-N 0 0 327.428 4.014 50 0 EIAARN Cc1cc(S(=O)(=O)Oc2cccc3cccnc32)c(C)cc1Cl ZINC000231415568 564129631 /nfs/dbraw/zinc/12/96/31/564129631.db2.gz KZDWHAUQSQQNSK-UHFFFAOYSA-N 0 0 347.823 4.273 50 0 EIAARN O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cnc2ccccc2c1 ZINC000253397128 564130561 /nfs/dbraw/zinc/13/05/61/564130561.db2.gz VPYNTWBUQXZJPW-UHFFFAOYSA-N 0 0 338.716 4.117 50 0 EIAARN CC(C)c1ccccc1NC(=O)c1ccnc(OC2CCOCC2)c1 ZINC000253400914 564130574 /nfs/dbraw/zinc/13/05/74/564130574.db2.gz MEFRUHNNHXXTJE-UHFFFAOYSA-N 0 0 340.423 4.015 50 0 EIAARN O=C(CCC(F)(F)F)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000253416530 564130772 /nfs/dbraw/zinc/13/07/72/564130772.db2.gz JAVCWXPQMHHNBG-UHFFFAOYSA-N 0 0 348.777 4.422 50 0 EIAARN COCCc1nsc(N2c3ccccc3[C@]3(C)CCCC[C@H]23)n1 ZINC000253418171 564130882 /nfs/dbraw/zinc/13/08/82/564130882.db2.gz LRISIVICHPAXJA-YJBOKZPZSA-N 0 0 329.469 4.079 50 0 EIAARN Cc1cc(N[C@H](c2ccccc2)[C@H]2CCOC2)nc(-c2cccnc2)n1 ZINC000253422839 564131060 /nfs/dbraw/zinc/13/10/60/564131060.db2.gz CAVSGXSDOGTEOR-AZUAARDMSA-N 0 0 346.434 4.037 50 0 EIAARN CSc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000253429481 564131241 /nfs/dbraw/zinc/13/12/41/564131241.db2.gz DLOLZGSHHGASEB-CZUORRHYSA-N 0 0 344.484 4.129 50 0 EIAARN O=C(Cc1cccc(C(F)F)c1)N(CC(F)(F)F)c1ccccn1 ZINC000253430241 564131361 /nfs/dbraw/zinc/13/13/61/564131361.db2.gz VVNVIXFGSIKAOW-UHFFFAOYSA-N 0 0 344.283 4.157 50 0 EIAARN COC(=O)c1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1 ZINC000002304793 564132087 /nfs/dbraw/zinc/13/20/87/564132087.db2.gz YFJDSQQSNYMVOP-MDWZMJQESA-N 0 0 345.401 4.062 50 0 EIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc(-c2ccco2)on1 ZINC000253471373 564132610 /nfs/dbraw/zinc/13/26/10/564132610.db2.gz BXWAAPYDJREDCY-GFCCVEGCSA-N 0 0 336.347 4.042 50 0 EIAARN C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(Br)c1 ZINC000027746021 564134386 /nfs/dbraw/zinc/13/43/86/564134386.db2.gz NLBKFLGYIVGFMZ-NHAQELONSA-N 0 0 330.225 4.340 50 0 EIAARN Nn1c(SCc2cccc3ccccc32)nnc1C1CCCCC1 ZINC000002388086 564134355 /nfs/dbraw/zinc/13/43/55/564134355.db2.gz YGNXFXPULXPWIL-UHFFFAOYSA-N 0 0 338.480 4.485 50 0 EIAARN CCCCc1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 ZINC000002400424 564134546 /nfs/dbraw/zinc/13/45/46/564134546.db2.gz GZXXACJIMNAYCV-OAQYLSRUSA-N 0 0 337.419 4.140 50 0 EIAARN Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000002404888 564134633 /nfs/dbraw/zinc/13/46/33/564134633.db2.gz WLDYAFNSQOMDHW-UHFFFAOYSA-N 0 0 341.798 4.270 50 0 EIAARN CCOCCCn1c(-c2cccc(C)c2)nc2nc3ccccc3nc21 ZINC000002411146 564134681 /nfs/dbraw/zinc/13/46/81/564134681.db2.gz QPTCXGXZXNPIIJ-UHFFFAOYSA-N 0 0 346.434 4.382 50 0 EIAARN CCCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 ZINC000002422646 564134894 /nfs/dbraw/zinc/13/48/94/564134894.db2.gz NSNHBBFLUQEWKT-UHFFFAOYSA-N 0 0 332.407 4.455 50 0 EIAARN C[C@@H]1CCc2sc3nc(NC4CCCCC4)n4ncnc4c3c2C1 ZINC000002443766 564135246 /nfs/dbraw/zinc/13/52/46/564135246.db2.gz ZIJMLLUWSQKNFT-LLVKDONJSA-N 0 0 341.484 4.208 50 0 EIAARN CN1c2ccccc2C(=CNN(c2ccccc2)c2ccccc2)C1=O ZINC000012559937 564135296 /nfs/dbraw/zinc/13/52/96/564135296.db2.gz LZPKZHUPALDIEX-CAPFRKAQSA-N 0 0 341.414 4.347 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000007945833 564135475 /nfs/dbraw/zinc/13/54/75/564135475.db2.gz QFFTWDIYGMROOG-GOSISDBHSA-N 0 0 340.810 4.243 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(F)ccc1F ZINC000012819710 564135638 /nfs/dbraw/zinc/13/56/38/564135638.db2.gz CJWDAOUYCXDCJF-UHFFFAOYSA-N 0 0 328.318 4.109 50 0 EIAARN O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccccc1 ZINC000012982707 564135820 /nfs/dbraw/zinc/13/58/20/564135820.db2.gz JPAUICJSQUXIIB-UHFFFAOYSA-N 0 0 332.806 4.082 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000013058040 564135926 /nfs/dbraw/zinc/13/59/26/564135926.db2.gz MCPDFMRLUQCRPO-CYBMUJFWSA-N 0 0 344.842 4.002 50 0 EIAARN C[C@@H](NC(=O)CN1CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000013040051 564135936 /nfs/dbraw/zinc/13/59/36/564135936.db2.gz HJXGQWYQZOKGBP-GFCCVEGCSA-N 0 0 349.261 4.233 50 0 EIAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000013061566 564135956 /nfs/dbraw/zinc/13/59/56/564135956.db2.gz AZQHKXRGMAWIJK-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN O=C(NC[C@@H]1CCCO1)Nc1ccccc1-c1cc2ccccc2[nH]1 ZINC000013351480 564136261 /nfs/dbraw/zinc/13/62/61/564136261.db2.gz IQJAIYOCPWIZPY-HNNXBMFYSA-N 0 0 335.407 4.135 50 0 EIAARN CC(C)(C)C(=O)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1 ZINC000019855204 564138178 /nfs/dbraw/zinc/13/81/78/564138178.db2.gz YGLJOKHSGXWZMZ-UHFFFAOYSA-N 0 0 348.450 4.041 50 0 EIAARN O=C(NCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1C1CCCC1 ZINC000079623376 564138295 /nfs/dbraw/zinc/13/82/95/564138295.db2.gz ZGHQLHFKCFKUCW-QGZVFWFLSA-N 0 0 339.439 4.206 50 0 EIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)Nc1c(F)cccc1F ZINC000390830040 564138612 /nfs/dbraw/zinc/13/86/12/564138612.db2.gz IJHXMDJYOADUGC-NSHDSACASA-N 0 0 330.334 4.464 50 0 EIAARN CC(C)n1ncnc1CN[C@H](c1cccc2ccccc21)C(F)(F)F ZINC000390835525 564139010 /nfs/dbraw/zinc/13/90/10/564139010.db2.gz PNIKDYPFVODFOR-QGZVFWFLSA-N 0 0 348.372 4.405 50 0 EIAARN CC[C@H]1CC[C@H](C(=O)Nc2cccc(NC(=O)N(C)C)c2C)CC1 ZINC000279333899 564139282 /nfs/dbraw/zinc/13/92/82/564139282.db2.gz CAZIQYBUOOBGAK-SHTZXODSSA-N 0 0 331.460 4.243 50 0 EIAARN NC(=O)c1ccc(NC(=O)N2CCCC[C@@H]3CCCC[C@H]32)cc1Cl ZINC000095457602 564140609 /nfs/dbraw/zinc/14/06/09/564140609.db2.gz RWJVVTXHHDJMIO-BLLLJJGKSA-N 0 0 349.862 4.016 50 0 EIAARN CCC(CC)[C@H]1C[C@H](NC(=O)c2ccccc2OC(F)F)CCO1 ZINC000095465854 564141019 /nfs/dbraw/zinc/14/10/19/564141019.db2.gz IQCOPHOTZXREMT-CZUORRHYSA-N 0 0 341.398 4.002 50 0 EIAARN CCCn1c(CCCNC(=O)OCCC(C)C)nc2ccccc21 ZINC000095471839 564141282 /nfs/dbraw/zinc/14/12/82/564141282.db2.gz BXXUHRNCQLLWPL-UHFFFAOYSA-N 0 0 331.460 4.151 50 0 EIAARN Cc1nc(C(=O)Nc2cccnc2)c(-c2ccccc2Cl)s1 ZINC000095474447 564141353 /nfs/dbraw/zinc/14/13/53/564141353.db2.gz ZHNJTONWJUHEMU-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN COCCn1c(C(=O)Nc2cccc3c2ccn3C)cc2ccccc21 ZINC000095473961 564141368 /nfs/dbraw/zinc/14/13/68/564141368.db2.gz FRGJXAOEAVAMIH-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 EIAARN FC(F)(F)c1ccnc(Nc2ccc(NCc3ccccn3)cc2)n1 ZINC000095959055 564142614 /nfs/dbraw/zinc/14/26/14/564142614.db2.gz KVQTVFZCQZMWJE-UHFFFAOYSA-N 0 0 345.328 4.246 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2cccs2)C1=O ZINC000095960086 564142672 /nfs/dbraw/zinc/14/26/72/564142672.db2.gz KALYSRFXWNKNEU-AWEZNQCLSA-N 0 0 349.452 4.201 50 0 EIAARN CCCOc1cccc(NC(=O)CCc2nnc(C3CCCC3)o2)c1 ZINC000095965993 564142962 /nfs/dbraw/zinc/14/29/62/564142962.db2.gz UUDWRIQYTLQPQX-UHFFFAOYSA-N 0 0 343.427 4.087 50 0 EIAARN COC[C@@H](N[C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000095968162 564143136 /nfs/dbraw/zinc/14/31/36/564143136.db2.gz CZPSIDRYUDOPTP-MEDUHNTESA-N 0 0 342.336 4.278 50 0 EIAARN COc1cc(C(=O)Nc2ccc(Cl)cc2O)ccc1OC(C)C ZINC000095974020 564143512 /nfs/dbraw/zinc/14/35/12/564143512.db2.gz 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/nfs/dbraw/zinc/14/52/84/564145284.db2.gz DNJXUAFPPCKMJP-UHFFFAOYSA-N 0 0 328.803 4.175 50 0 EIAARN O=C(NCc1cccc(Oc2ccccn2)c1)c1c[nH]c2ccccc12 ZINC000096122539 564145610 /nfs/dbraw/zinc/14/56/10/564145610.db2.gz WGFCJKYVWKZGOG-UHFFFAOYSA-N 0 0 343.386 4.285 50 0 EIAARN CC[C@@](CNC(=O)Cc1cccc2ccccc21)(OC)c1ccccc1 ZINC000096123720 564145684 /nfs/dbraw/zinc/14/56/84/564145684.db2.gz PWJBMCWAJZLKIQ-QHCPKHFHSA-N 0 0 347.458 4.450 50 0 EIAARN CCn1ccc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)n1 ZINC000096183809 564145879 /nfs/dbraw/zinc/14/58/79/564145879.db2.gz NNRFGVDTFZFZIX-UHFFFAOYSA-N 0 0 331.759 4.194 50 0 EIAARN CC(C)n1ccc2cc(C(=O)NCCc3nc4ccccc4[nH]3)ccc21 ZINC000096223732 564146024 /nfs/dbraw/zinc/14/60/24/564146024.db2.gz KTAMQIRUGPGTLS-UHFFFAOYSA-N 0 0 346.434 4.071 50 0 EIAARN Cc1cccc([C@H]2c3cccn3CCN2C(=O)c2ccc(F)c(C)c2)c1 ZINC000096203777 564146039 /nfs/dbraw/zinc/14/60/39/564146039.db2.gz FBZZBAGEOOSMOH-NRFANRHFSA-N 0 0 348.421 4.489 50 0 EIAARN C/C=C/C=C\C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000096257401 564146184 /nfs/dbraw/zinc/14/61/84/564146184.db2.gz FHDWTQCOZLEKCT-FBRVOWQISA-N 0 0 332.831 4.037 50 0 EIAARN CCCN(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1 ZINC000096277403 564146318 /nfs/dbraw/zinc/14/63/18/564146318.db2.gz YQEYAOUMQAVCMX-UHFFFAOYSA-N 0 0 349.434 4.140 50 0 EIAARN c1ccc(-c2nnc3sc(C4=Cc5ccccc5OC=C4)nn32)cc1 ZINC000096306174 564146643 /nfs/dbraw/zinc/14/66/43/564146643.db2.gz KQMWXNILMMNAMM-UHFFFAOYSA-N 0 0 344.399 4.300 50 0 EIAARN Cc1nn(-c2ccccc2)c2c1[C@@H]1c3ccccc3OC[C@]1(C)CO2 ZINC000096306228 564146665 /nfs/dbraw/zinc/14/66/65/564146665.db2.gz SYRZSOPNMJQENZ-PZJWPPBQSA-N 0 0 332.403 4.104 50 0 EIAARN CC[C@@H](C)[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000007969773 564146885 /nfs/dbraw/zinc/14/68/85/564146885.db2.gz PVDCDPAPMMLEOF-AUUYWEPGSA-N 0 0 327.424 4.472 50 0 EIAARN O=C(NCc1cccc(Oc2ccccn2)c1)c1cccc(Cl)c1 ZINC000096382630 564146935 /nfs/dbraw/zinc/14/69/35/564146935.db2.gz ANUTWZJJIXCBBM-UHFFFAOYSA-N 0 0 338.794 4.457 50 0 EIAARN CO[C@@](C)(CNC(=O)Nc1ccccc1C)c1cccc(Cl)c1 ZINC000096393232 564147054 /nfs/dbraw/zinc/14/70/54/564147054.db2.gz QTHBJFIBYRMHMF-SFHVURJKSA-N 0 0 332.831 4.332 50 0 EIAARN CCOc1cc(/C=C\C(=O)N(C)Cc2ccc(C)cc2)ccc1OC ZINC000096401227 564147067 /nfs/dbraw/zinc/14/70/67/564147067.db2.gz VQWOWMNTAFEEQG-QBFSEMIESA-N 0 0 339.435 4.074 50 0 EIAARN Cc1nc(/C=C\C(=O)NCCC23CC4CC(CC(C4)C2)C3)cs1 ZINC000096401423 564147084 /nfs/dbraw/zinc/14/70/84/564147084.db2.gz RTROBHZYNDNAIA-IHWYPQMZSA-N 0 0 330.497 4.187 50 0 EIAARN C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(-n2cccn2)cc1 ZINC000096404405 564147276 /nfs/dbraw/zinc/14/72/76/564147276.db2.gz GHFRTVPTTFNEIR-FATZIPQQSA-N 0 0 328.412 4.021 50 0 EIAARN CC1(C)Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccco3)cc2O1 ZINC000096407954 564147436 /nfs/dbraw/zinc/14/74/36/564147436.db2.gz PTHNNCOBLAGOJQ-CYBMUJFWSA-N 0 0 328.368 4.156 50 0 EIAARN Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000096408339 564147484 /nfs/dbraw/zinc/14/74/84/564147484.db2.gz BBJBXRNLLZMVLJ-XMMPIXPASA-N 0 0 341.476 4.005 50 0 EIAARN CC(C)c1cnc(-c2ccc(NC(=O)CCc3cscn3)cc2)o1 ZINC000096408355 564147515 /nfs/dbraw/zinc/14/75/15/564147515.db2.gz STNGXQYXGNOCSC-UHFFFAOYSA-N 0 0 341.436 4.493 50 0 EIAARN COc1c(C)cnc(CSc2nnc(Cc3cccs3)o2)c1C ZINC000096411916 564147633 /nfs/dbraw/zinc/14/76/33/564147633.db2.gz DLHXXKNDGQQTLW-UHFFFAOYSA-N 0 0 347.465 4.035 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)Nc1nn(-c2ccccc2)cc1C ZINC000096415942 564147732 /nfs/dbraw/zinc/14/77/32/564147732.db2.gz LAXWFANLIYMFOL-GOSISDBHSA-N 0 0 349.438 4.191 50 0 EIAARN CCOC(=O)C[C@@H]1COc2cc(C)ccc2N1Cc1ccc(C)cc1 ZINC000021925859 564148849 /nfs/dbraw/zinc/14/88/49/564148849.db2.gz XASVEZSFVUJKDN-GOSISDBHSA-N 0 0 339.435 4.024 50 0 EIAARN CC(=O)c1ccc(CCNC(=O)c2cc3ccccc3s2)s1 ZINC000225672573 564148984 /nfs/dbraw/zinc/14/89/84/564148984.db2.gz FQDOJSVHKUDRPY-UHFFFAOYSA-N 0 0 329.446 4.138 50 0 EIAARN CCc1noc(C)c1NC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000097099634 564149416 /nfs/dbraw/zinc/14/94/16/564149416.db2.gz MGPQRRKDYNAJMI-UHFFFAOYSA-N 0 0 338.367 4.377 50 0 EIAARN COc1cccc2cc(C(=O)NCc3ccnc(-c4ccco4)c3)oc21 ZINC000225655095 564150149 /nfs/dbraw/zinc/15/01/49/564150149.db2.gz CIMSPSZSFDVSAC-UHFFFAOYSA-N 0 0 348.358 4.026 50 0 EIAARN O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000028043509 564150206 /nfs/dbraw/zinc/15/02/06/564150206.db2.gz LUIKOAXJIWMUOZ-KRWDZBQOSA-N 0 0 335.856 4.007 50 0 EIAARN O=C(NCc1cncc(-c2cccs2)c1)c1c[nH]c2ccccc12 ZINC000225666274 564150209 /nfs/dbraw/zinc/15/02/09/564150209.db2.gz YTDYLDASWRWOPN-UHFFFAOYSA-N 0 0 333.416 4.221 50 0 EIAARN O=C(NC[C@H](O)c1csc2ccccc21)c1ccccc1Cl ZINC000225691976 564150301 /nfs/dbraw/zinc/15/03/01/564150301.db2.gz CYDCWHUWPXVVPH-HNNXBMFYSA-N 0 0 331.824 4.018 50 0 EIAARN CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000002523967 564150390 /nfs/dbraw/zinc/15/03/90/564150390.db2.gz PDWGXRVTBKXKKC-UHFFFAOYSA-N 0 0 346.253 4.419 50 0 EIAARN O=C(NC1CC1)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000028226272 564150738 /nfs/dbraw/zinc/15/07/38/564150738.db2.gz KKNXZHHZTRBETB-UHFFFAOYSA-N 0 0 326.179 4.058 50 0 EIAARN CC1(C)C[C@@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)CCO1 ZINC000028294389 564150946 /nfs/dbraw/zinc/15/09/46/564150946.db2.gz FDUJMCVEJKQBHO-INIZCTEOSA-N 0 0 337.419 4.061 50 0 EIAARN Cc1ccsc1-c1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 ZINC000028334323 564150996 /nfs/dbraw/zinc/15/09/96/564150996.db2.gz PMJQTKHDHYCPMF-UHFFFAOYSA-N 0 0 326.446 4.366 50 0 EIAARN C[C@@H](Sc1nnc2ccccn21)C(=O)Nc1ccc2ccccc2c1 ZINC000002620385 564151226 /nfs/dbraw/zinc/15/12/26/564151226.db2.gz FRGRHPLSKOPVHZ-CYBMUJFWSA-N 0 0 348.431 4.002 50 0 EIAARN CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc2ccccc2c1 ZINC000002634850 564151556 /nfs/dbraw/zinc/15/15/56/564151556.db2.gz RCZJOJJHTBCXKI-UHFFFAOYSA-N 0 0 341.451 4.137 50 0 EIAARN COc1cccc(CNC(=O)c2ccccc2OCc2ccccc2)c1 ZINC000002643355 564151737 /nfs/dbraw/zinc/15/17/37/564151737.db2.gz ISCCRPFGODPLFY-UHFFFAOYSA-N 0 0 347.414 4.204 50 0 EIAARN CCC(CC)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000002658175 564152011 /nfs/dbraw/zinc/15/20/11/564152011.db2.gz UGTFKHZVIDIDAS-UHFFFAOYSA-N 0 0 333.863 4.120 50 0 EIAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1Cl ZINC000002721908 564152286 /nfs/dbraw/zinc/15/22/86/564152286.db2.gz SAULEWHFRLLKQR-UHFFFAOYSA-N 0 0 342.782 4.250 50 0 EIAARN COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 ZINC000002733739 564152376 /nfs/dbraw/zinc/15/23/76/564152376.db2.gz MMNNLDODABBJQN-UHFFFAOYSA-N 0 0 349.415 4.244 50 0 EIAARN COC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccccc1 ZINC000002763688 564152510 /nfs/dbraw/zinc/15/25/10/564152510.db2.gz RESFAHQTNINFGZ-UHFFFAOYSA-N 0 0 327.361 4.047 50 0 EIAARN Cc1cccc(NC(=O)Nc2nnc(N3CCCC[C@@H]3C)s2)c1C ZINC000002908380 564152996 /nfs/dbraw/zinc/15/29/96/564152996.db2.gz LGLMOVQQMWANRM-LBPRGKRZSA-N 0 0 345.472 4.178 50 0 aggregator EIAARN CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NC(C)(C)C)c1C ZINC000002929851 564153103 /nfs/dbraw/zinc/15/31/03/564153103.db2.gz NEVDEDLYJVMLIH-UHFFFAOYSA-N 0 0 344.430 4.110 50 0 EIAARN C[C@H]1c2cccn2CCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000029378879 564153391 /nfs/dbraw/zinc/15/33/91/564153391.db2.gz MHLDXQVBYOFMSF-INIZCTEOSA-N 0 0 332.403 4.497 50 0 EIAARN Cc1ccc(CN(C(=O)c2cc(-c3cccnc3)on2)C(C)C)s1 ZINC000057401947 564153913 /nfs/dbraw/zinc/15/39/13/564153913.db2.gz NLEQIJWEALDSDL-UHFFFAOYSA-N 0 0 341.436 4.157 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000057412523 564154128 /nfs/dbraw/zinc/15/41/28/564154128.db2.gz URYVRESPCUDNET-UHFFFAOYSA-N 0 0 339.782 4.185 50 0 EIAARN Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cccnc2)cc1 ZINC000003036319 564154557 /nfs/dbraw/zinc/15/45/57/564154557.db2.gz AXKCCBXKRCBGOD-UHFFFAOYSA-N 0 0 337.448 4.382 50 0 EIAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000057541698 564154887 /nfs/dbraw/zinc/15/48/87/564154887.db2.gz GSTPRLPRMATUJM-ZIAGYGMSSA-N 0 0 331.460 4.099 50 0 EIAARN Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1 ZINC000003066062 564154891 /nfs/dbraw/zinc/15/48/91/564154891.db2.gz QFPJDVSFWOKZFV-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/16/00/50/564160050.db2.gz NSGOUDPGSZNJNF-ZNDBDHBXSA-N 0 0 342.439 4.264 50 0 EIAARN COc1ccc(NC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 ZINC000032101967 564160786 /nfs/dbraw/zinc/16/07/86/564160786.db2.gz BPDPSRYNMPIOGJ-UHFFFAOYSA-N 0 0 326.783 4.392 50 0 EIAARN Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000032379998 564161294 /nfs/dbraw/zinc/16/12/94/564161294.db2.gz HOTNMLXBYPBVQL-NRFANRHFSA-N 0 0 339.483 4.017 50 0 EIAARN CC(C)c1noc(CCC(=O)N[C@H](c2cccs2)C2CCCC2)n1 ZINC000032398145 564161351 /nfs/dbraw/zinc/16/13/51/564161351.db2.gz QRVHWMZDOZUAOU-KRWDZBQOSA-N 0 0 347.484 4.235 50 0 EIAARN CC(C)c1noc(CCC(=O)N[C@@H](c2cccs2)C2CCCC2)n1 ZINC000032398146 564161357 /nfs/dbraw/zinc/16/13/57/564161357.db2.gz QRVHWMZDOZUAOU-QGZVFWFLSA-N 0 0 347.484 4.235 50 0 EIAARN C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1Br ZINC000032480246 564161518 /nfs/dbraw/zinc/16/15/18/564161518.db2.gz BOCLIDSYOMIXMA-NSHDSACASA-N 0 0 343.224 4.421 50 0 EIAARN Cc1noc(C)c1C(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 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CN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc2ccccc2c1 ZINC000008127378 564162850 /nfs/dbraw/zinc/16/28/50/564162850.db2.gz XCQFLBHMSZSDJB-UHFFFAOYSA-N 0 0 340.373 4.189 50 0 EIAARN COc1ccc(C)cc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000008123048 564162871 /nfs/dbraw/zinc/16/28/71/564162871.db2.gz USSUVXVZDIFKJZ-UHFFFAOYSA-N 0 0 344.461 4.370 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1C ZINC000008129958 564162958 /nfs/dbraw/zinc/16/29/58/564162958.db2.gz ZDPSUIAWCJJQDI-UHFFFAOYSA-N 0 0 339.439 4.077 50 0 EIAARN O=C(CNc1ccccc1N1CCCCC1)Nc1ccc2c(c1)CCC2 ZINC000008165293 564163260 /nfs/dbraw/zinc/16/32/60/564163260.db2.gz WRWFTSLLDABBCV-UHFFFAOYSA-N 0 0 349.478 4.216 50 0 EIAARN Clc1cc(CSc2ncnc3ccccc32)c2c(c1)COCO2 ZINC000008189570 564163431 /nfs/dbraw/zinc/16/34/31/564163431.db2.gz CWEAATZBNKZTAQ-UHFFFAOYSA-N 0 0 344.823 4.442 50 0 EIAARN O=C(Nc1ccccn1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000008194509 564163520 /nfs/dbraw/zinc/16/35/20/564163520.db2.gz FQOMEGJTPCPDJE-UHFFFAOYSA-N 0 0 340.386 4.187 50 0 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EIAARN O=C(Nc1nnc(SCc2cccs2)s1)C1CCCC1 ZINC000008389741 564164924 /nfs/dbraw/zinc/16/49/24/564164924.db2.gz TVFCIGXDECZHKQ-UHFFFAOYSA-N 0 0 325.484 4.021 50 0 EIAARN Clc1cc(CSc2ncnc3ccccc32)cc2c1OCCO2 ZINC000008428888 564165261 /nfs/dbraw/zinc/16/52/61/564165261.db2.gz BQERBPMFCKDIQH-UHFFFAOYSA-N 0 0 344.823 4.347 50 0 EIAARN COc1ccc2[nH]c(SCc3ccc(-n4cccn4)cc3)nc2c1 ZINC000008461613 564165397 /nfs/dbraw/zinc/16/53/97/564165397.db2.gz WZSDAUDMZNKMAQ-UHFFFAOYSA-N 0 0 336.420 4.050 50 0 EIAARN Fc1ccc(-n2ncc3c2ncnc3NCCC2=CCCCC2)cc1 ZINC000008583029 564165852 /nfs/dbraw/zinc/16/58/52/564165852.db2.gz BUJSRZQEAAEQMB-UHFFFAOYSA-N 0 0 337.402 4.257 50 0 EIAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000008587039 564165865 /nfs/dbraw/zinc/16/58/65/564165865.db2.gz HYEAEWRFUMZUPT-OAQYLSRUSA-N 0 0 347.462 4.385 50 0 EIAARN Cc1ccc(CNc2cc(C)nc3nc(-c4ccc(C)cc4)nn32)cc1 ZINC000008609631 564166042 /nfs/dbraw/zinc/16/60/42/564166042.db2.gz MEIUFUPWVPDSGG-UHFFFAOYSA-N 0 0 343.434 4.329 50 0 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50 0 EIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)COc1ccc(Cl)cc1 ZINC000244955801 564168555 /nfs/dbraw/zinc/16/85/55/564168555.db2.gz GAGWVIDWJMILIP-ZDUSSCGKSA-N 0 0 343.810 4.212 50 0 EIAARN C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245263830 564168852 /nfs/dbraw/zinc/16/88/52/564168852.db2.gz BCRLLYGESUBULV-RFQIPJPRSA-N 0 0 332.469 4.249 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000245281271 564168947 /nfs/dbraw/zinc/16/89/47/564168947.db2.gz ALCVBCDCPZJHOE-VKJFTORMSA-N 0 0 349.434 4.116 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000245358624 564169136 /nfs/dbraw/zinc/16/91/36/564169136.db2.gz ZWULMDXKCIEODN-QITLCBANSA-N 0 0 344.480 4.100 50 0 EIAARN COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c(F)c1 ZINC000069414256 564169169 /nfs/dbraw/zinc/16/91/69/564169169.db2.gz WHSJGBZWKAMYCJ-OAHLLOKOSA-N 0 0 348.399 4.043 50 0 EIAARN CCN(C(=O)c1ccncc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000069435605 564169472 /nfs/dbraw/zinc/16/94/72/564169472.db2.gz KNHCAUZQBIGKPA-FQEVSTJZSA-N 0 0 349.409 4.176 50 0 EIAARN Cc1nn(C)c(C)c1CC(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000069488279 564169860 /nfs/dbraw/zinc/16/98/60/564169860.db2.gz LKEKJCQEJQQNIT-UHFFFAOYSA-N 0 0 345.512 4.417 50 0 EIAARN CSc1nnc(SC[C@@H]2CC(C3CCCCC3)=NO2)s1 ZINC000069743617 564171945 /nfs/dbraw/zinc/17/19/45/564171945.db2.gz IIDULGGEFZDAMV-JTQLQIEISA-N 0 0 329.516 4.077 50 0 EIAARN COc1ccccc1-c1c[nH]cc1C(=O)NCc1ccc(Cl)s1 ZINC000069519977 564170145 /nfs/dbraw/zinc/17/01/45/564170145.db2.gz JDWAWNMAAKMEDR-UHFFFAOYSA-N 0 0 346.839 4.335 50 0 EIAARN CC(C)CN1c2ccc(NC(=O)C3CCCCC3)cc2CCC1=O ZINC000009137539 564170429 /nfs/dbraw/zinc/17/04/29/564170429.db2.gz IDCZRCAXJJCWHM-UHFFFAOYSA-N 0 0 328.456 4.141 50 0 EIAARN O=C(C[C@H]1OCCc2ccsc21)N1CCC[C@H]1c1ccsc1 ZINC000069564721 564170492 /nfs/dbraw/zinc/17/04/92/564170492.db2.gz WBKFQBCPHUVFED-LSDHHAIUSA-N 0 0 333.478 4.177 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)o1 ZINC000069570607 564170591 /nfs/dbraw/zinc/17/05/91/564170591.db2.gz YUZLGQAQJSERFL-UHFFFAOYSA-N 0 0 346.814 4.120 50 0 EIAARN Cn1ccnc1-c1cccc(NC(=O)c2sccc2OC(F)F)c1 ZINC000069582016 564170663 /nfs/dbraw/zinc/17/06/63/564170663.db2.gz SPOHKWXOKNTDCM-UHFFFAOYSA-N 0 0 349.362 4.002 50 0 EIAARN Cc1ccccc1-n1cnnc1S[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000069597132 564170861 /nfs/dbraw/zinc/17/08/61/564170861.db2.gz CBSRKAOVSZFREL-LBPRGKRZSA-N 0 0 343.456 4.110 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc(CNCc2csc(C(C)C)n2)c1 ZINC000069630535 564171060 /nfs/dbraw/zinc/17/10/60/564171060.db2.gz WLLRHHWCOFRNOT-CQSZACIVSA-N 0 0 345.512 4.085 50 0 EIAARN Cc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)sc2cccc(F)c12 ZINC000069656630 564171210 /nfs/dbraw/zinc/17/12/10/564171210.db2.gz GYWNHUIVYHICID-ZDUSSCGKSA-N 0 0 343.427 4.023 50 0 EIAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)N2Cc3ccccc3C2)c1 ZINC000069656793 564171221 /nfs/dbraw/zinc/17/12/21/564171221.db2.gz SSYJYHQYVYGFCT-UHFFFAOYSA-N 0 0 337.423 4.219 50 0 EIAARN O=C(Nc1scnc1-c1ccc(F)cc1)c1ccc2c(c1)COC2 ZINC000069657212 564171226 /nfs/dbraw/zinc/17/12/26/564171226.db2.gz FWDUYXRGDOZIRF-UHFFFAOYSA-N 0 0 340.379 4.232 50 0 EIAARN Cc1cc(C)n(Cc2cccc(NC(=O)c3c(F)cccc3F)c2)n1 ZINC000069697266 564171484 /nfs/dbraw/zinc/17/14/84/564171484.db2.gz VIQHIJDAWXPEEA-UHFFFAOYSA-N 0 0 341.361 4.079 50 0 EIAARN Cc1occc1C(=O)N(C)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000069704429 564171628 /nfs/dbraw/zinc/17/16/28/564171628.db2.gz UZZHXIQQSSKORZ-SFHVURJKSA-N 0 0 342.345 4.123 50 0 EIAARN Cc1noc(C2CCN(C(=O)Nc3c(C)cc(C)cc3Cl)CC2)n1 ZINC000069709669 564171740 /nfs/dbraw/zinc/17/17/40/564171740.db2.gz YULFXQBKWAHREY-UHFFFAOYSA-N 0 0 348.834 4.060 50 0 EIAARN C/C=C/C=C/C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000069743214 564171950 /nfs/dbraw/zinc/17/19/50/564171950.db2.gz FSIAJGMKBFIDHB-YTXTXJHMSA-N 0 0 331.466 4.377 50 0 EIAARN CCc1nc(CCNC(=O)Nc2cccc(C(F)F)c2)cs1 ZINC000069770197 564172010 /nfs/dbraw/zinc/17/20/10/564172010.db2.gz DKKGSIOPYCQAAB-UHFFFAOYSA-N 0 0 325.384 4.007 50 0 EIAARN CCCCS[C@@H](C)C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000069774020 564172104 /nfs/dbraw/zinc/17/21/04/564172104.db2.gz ZQOVXFKVBOQLFL-OLZOCXBDSA-N 0 0 349.525 4.304 50 0 EIAARN Cc1nc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccn2)cs1 ZINC000069774885 564172130 /nfs/dbraw/zinc/17/21/30/564172130.db2.gz XAYYWUNOBUBDMU-CQSZACIVSA-N 0 0 337.448 4.250 50 0 EIAARN CC[C@@H](C)[C@@H](C)N(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CC1 ZINC000069778611 564172176 /nfs/dbraw/zinc/17/21/76/564172176.db2.gz OVBBZOHPPPOFAZ-ZIAGYGMSSA-N 0 0 345.443 4.074 50 0 EIAARN CC(C)N(Cc1cccnc1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000069777530 564172193 /nfs/dbraw/zinc/17/21/93/564172193.db2.gz NFIVUPCWGJYGTD-HXUWFJFHSA-N 0 0 349.434 4.384 50 0 EIAARN CCN(C(=O)Nc1ccc(F)c(F)c1F)[C@H](C)c1cccc(O)c1 ZINC000069972904 564172995 /nfs/dbraw/zinc/17/29/95/564172995.db2.gz DBFRODPZSPCMIO-SNVBAGLBSA-N 0 0 338.329 4.425 50 0 EIAARN O=C(/C=C/c1cscn1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000069977498 564173054 /nfs/dbraw/zinc/17/30/54/564173054.db2.gz RARGQXHACMDERH-BLGFXRMMSA-N 0 0 337.448 4.391 50 0 EIAARN O=C(CC[S@](=O)C/C=C/c1ccccc1)Nc1ccccc1Cl ZINC000070008100 564173285 /nfs/dbraw/zinc/17/32/85/564173285.db2.gz CLMFGMLVHGLZHM-CJHOVAGGSA-N 0 0 347.867 4.131 50 0 EIAARN Cc1cccc(-c2noc(CN[C@H](c3ncccc3C)C(C)C)n2)c1 ZINC000070019810 564173327 /nfs/dbraw/zinc/17/33/27/564173327.db2.gz GWQHSKONIVBYCP-SFHVURJKSA-N 0 0 336.439 4.235 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000070040396 564173529 /nfs/dbraw/zinc/17/35/29/564173529.db2.gz BZJUNHZQISKRCY-GFCCVEGCSA-N 0 0 346.434 4.162 50 0 EIAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C)c2ncccc12 ZINC000041157040 564173621 /nfs/dbraw/zinc/17/36/21/564173621.db2.gz VASZMUPBQXDKHU-QGZVFWFLSA-N 0 0 338.382 4.478 50 0 EIAARN CC(C)c1ccc(OCC(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000041157532 564173632 /nfs/dbraw/zinc/17/36/32/564173632.db2.gz OXHAYAXHJKFTKT-UHFFFAOYSA-N 0 0 347.842 4.037 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000009423760 564173684 /nfs/dbraw/zinc/17/36/84/564173684.db2.gz AHRGUEITLCDDCV-IBGZPJMESA-N 0 0 334.350 4.302 50 0 EIAARN O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)NC1CCCC1 ZINC000070655607 564174255 /nfs/dbraw/zinc/17/42/55/564174255.db2.gz NPJXDSNATWIHJZ-UHFFFAOYSA-N 0 0 347.227 4.169 50 0 EIAARN CC(C)[C@@H](NC(=O)CCCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000042231105 564174789 /nfs/dbraw/zinc/17/47/89/564174789.db2.gz AXKZPDPYMGDETO-HXUWFJFHSA-N 0 0 335.451 4.399 50 0 EIAARN Clc1ccc2ncn3nc(Cc4ccccc4Cl)nc3c2c1 ZINC000071279787 564174797 /nfs/dbraw/zinc/17/47/97/564174797.db2.gz HTQIFUVDGXDZIE-UHFFFAOYSA-N 0 0 329.190 4.175 50 0 EIAARN CCc1noc([C@@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)n1 ZINC000042651436 564175127 /nfs/dbraw/zinc/17/51/27/564175127.db2.gz JSBTZUDXHFXMCA-SNVBAGLBSA-N 0 0 349.847 4.028 50 0 EIAARN CC[C@H](C(=O)Nc1ccc(Cn2ccccc2=O)cc1)c1ccccc1 ZINC000042701567 564175174 /nfs/dbraw/zinc/17/51/74/564175174.db2.gz DXKDGNBUIJJAAR-FQEVSTJZSA-N 0 0 346.430 4.029 50 0 EIAARN Cn1c2ccccc2nc1[C@@H](NCc1cccc(O)c1)c1ccccc1 ZINC000071792621 564175332 /nfs/dbraw/zinc/17/53/32/564175332.db2.gz OHVYJPGVCLFGFB-NRFANRHFSA-N 0 0 343.430 4.158 50 0 EIAARN CCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@H](C)c1ccc(F)cc1 ZINC000071805071 564175576 /nfs/dbraw/zinc/17/55/76/564175576.db2.gz IQWGCIILLBCNHE-CYBMUJFWSA-N 0 0 347.434 4.049 50 0 EIAARN O=C(CCCc1nc2ccccc2o1)N1CCC[C@H]2CCCC[C@H]21 ZINC000071828329 564175729 /nfs/dbraw/zinc/17/57/29/564175729.db2.gz BFUPXUYQWFEELJ-NVXWUHKLSA-N 0 0 326.440 4.332 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000071844131 564175908 /nfs/dbraw/zinc/17/59/08/564175908.db2.gz LNOXOANGZHSBNQ-DGCLKSJQSA-N 0 0 333.863 4.013 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1cccc(OC2CCCC2)c1C ZINC000071847629 564175950 /nfs/dbraw/zinc/17/59/50/564175950.db2.gz IKUWCMCGHHKDQW-UHFFFAOYSA-N 0 0 328.412 4.102 50 0 EIAARN CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC(CO)CC1 ZINC000071857115 564176095 /nfs/dbraw/zinc/17/60/95/564176095.db2.gz ULDNYWVDOHDWEY-UHFFFAOYSA-N 0 0 342.892 4.077 50 0 EIAARN CN(Cc1nc(C(F)(F)F)cs1)C(=O)Cc1ccc(Cl)cc1 ZINC000074467848 564176441 /nfs/dbraw/zinc/17/64/41/564176441.db2.gz HANPLPUGFGAWNS-UHFFFAOYSA-N 0 0 348.777 4.016 50 0 EIAARN Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H](C)n2ccnc2)c1 ZINC000076624339 564176506 /nfs/dbraw/zinc/17/65/06/564176506.db2.gz FDBBGKQXRXLITF-NSHDSACASA-N 0 0 343.374 4.046 50 0 EIAARN O=C(/C=C/c1ccsc1)NCC[C@@H](O)c1cccc2ccccc21 ZINC000077117532 564176606 /nfs/dbraw/zinc/17/66/06/564176606.db2.gz KEIDWOWITJXBTK-CSHXORCISA-N 0 0 337.444 4.154 50 0 EIAARN O=C(NCC[C@H](O)c1cccc2ccccc21)c1cccc(Cl)c1 ZINC000077116556 564176626 /nfs/dbraw/zinc/17/66/26/564176626.db2.gz OTIQVKWAFYNRBN-IBGZPJMESA-N 0 0 339.822 4.347 50 0 EIAARN Cc1cc(-c2noc(CCc3nc(C4CCCC4)no3)n2)ccc1F ZINC000109526436 564177765 /nfs/dbraw/zinc/17/77/65/564177765.db2.gz VEDIVUGRFOTUHB-UHFFFAOYSA-N 0 0 342.374 4.010 50 0 EIAARN Cc1ccc(CC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)s1 ZINC000088233104 568416707 /nfs/dbraw/zinc/41/67/07/568416707.db2.gz SFJNNRPKECAPMY-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN C[C@@H](NC(=O)c1ccncc1C(F)(F)F)c1cccc(Cl)c1 ZINC000192132769 568420697 /nfs/dbraw/zinc/42/06/97/568420697.db2.gz IOLUALYZSWVSSB-SECBINFHSA-N 0 0 328.721 4.245 50 0 EIAARN CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(O)cc1 ZINC000254825216 1019071096 /nfs/dbraw/zinc/07/10/96/1019071096.db2.gz TUKSFXYITSWCRF-UHFFFAOYSA-N 0 0 344.823 4.414 50 0 EIAARN CC(=O)c1ccc(N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1 ZINC000022077560 1020957344 /nfs/dbraw/zinc/95/73/44/1020957344.db2.gz NBHTWSJRZCGZFU-UHFFFAOYSA-N 0 0 345.446 4.072 50 0 EIAARN Cc1cc(-c2nc([C@@H]3CC(=O)N(C4CCCC4)C3)[nH]c2C)c(C)s1 ZINC000023398887 1021518774 /nfs/dbraw/zinc/51/87/74/1021518774.db2.gz HLSYOHUFNMGTDZ-CQSZACIVSA-N 0 0 343.496 4.322 50 0 EIAARN Cc1cnc(C)c(-c2cccc(-c3ccn(C[C@H]4CCCCO4)n3)c2)n1 ZINC000023432010 1021606988 /nfs/dbraw/zinc/60/69/88/1021606988.db2.gz ARRBBBRUIJFUAT-LJQANCHMSA-N 0 0 348.450 4.193 50 0 EIAARN Cc1ccccc1/C=C\C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000050647394 1022787864 /nfs/dbraw/zinc/78/78/64/1022787864.db2.gz RQHXBABKEVNKJI-HSNDNRACSA-N 0 0 331.419 4.248 50 0 EIAARN Cc1ccc(N(C(=O)c2cnc3ccccc3n2)C2CCCCC2)nc1 ZINC000329359131 1022924510 /nfs/dbraw/zinc/92/45/10/1022924510.db2.gz GJDDQOBSNMBFHS-UHFFFAOYSA-N 0 0 346.434 4.313 50 0 EIAARN O=C(NCC(c1ccco1)c1ccco1)c1nc2ccccc2s1 ZINC000675007663 1023310288 /nfs/dbraw/zinc/31/02/88/1023310288.db2.gz FVFHDUJWXDBUQF-UHFFFAOYSA-N 0 0 338.388 4.044 50 0 EIAARN O=C(NCc1cncc(C2CC2)c1)C(c1ccccc1)c1ccccc1 ZINC000675008001 1023312089 /nfs/dbraw/zinc/31/20/89/1023312089.db2.gz LKMCPTZTMBMGHO-UHFFFAOYSA-N 0 0 342.442 4.407 50 0 EIAARN Cc1ccc(NC(=O)[C@]2(C)CC(c3ccc(Cl)cc3)=NO2)cc1 ZINC000675030197 1023341078 /nfs/dbraw/zinc/34/10/78/1023341078.db2.gz UGRLWBLIRFOLHW-SFHVURJKSA-N 0 0 328.799 4.170 50 0 EIAARN Cc1ccc(NC(=O)[C@@]2(C)CC(c3ccc(Cl)cc3)=NO2)cc1 ZINC000675030196 1023341952 /nfs/dbraw/zinc/34/19/52/1023341952.db2.gz UGRLWBLIRFOLHW-GOSISDBHSA-N 0 0 328.799 4.170 50 0 EIAARN Cc1ccc(NC(=O)Cn2cc(-c3cccc4ccccc43)cn2)nc1 ZINC000675029461 1023342142 /nfs/dbraw/zinc/34/21/42/1023342142.db2.gz KUVWBKXGIVCKRM-UHFFFAOYSA-N 0 0 342.402 4.045 50 0 EIAARN CC(C)Oc1nn(C)c2ccc(NC(=O)Nc3cccc(F)c3)cc12 ZINC000675028426 1023344694 /nfs/dbraw/zinc/34/46/94/1023344694.db2.gz UAVJDHHIFZBWJA-UHFFFAOYSA-N 0 0 342.374 4.144 50 0 EIAARN C/C=C\c1ccc(OCC(=O)N[C@@H](C)c2cccc(F)c2)c(OC)c1 ZINC000042672572 1023361678 /nfs/dbraw/zinc/36/16/78/1023361678.db2.gz FCFUZZLJOPIDKL-SDQPKGBYSA-N 0 0 343.398 4.124 50 0 EIAARN COC(=O)c1ccc(NC(=O)/C=C\c2ccc(C(F)(F)F)cc2)cc1 ZINC000006497756 1023510606 /nfs/dbraw/zinc/51/06/06/1023510606.db2.gz BMSPRMWMEUKJBV-WCIBSUBMSA-N 0 0 349.308 4.144 50 0 EIAARN CO[C@H](C)c1nc(C)c(C(=O)N[C@]2(C)CCCc3ccccc32)s1 ZINC000331887742 1023842568 /nfs/dbraw/zinc/84/25/68/1023842568.db2.gz DGLPJERZYRFIBB-BFUOFWGJSA-N 0 0 344.480 4.140 50 0 EIAARN C[C@H](CC(=O)Nc1ccc2c(c1)CC(=O)N2)Cc1ccc(Cl)cc1 ZINC000093158150 1024226612 /nfs/dbraw/zinc/22/66/12/1024226612.db2.gz 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Cc1c(Cl)cccc1NC(=O)CC(=O)N1CC[C@H]1c1cccs1 ZINC000952971624 1049684826 /nfs/dbraw/zinc/68/48/26/1049684826.db2.gz UVEHPKROCLITAR-AWEZNQCLSA-N 0 0 348.855 4.012 50 0 EIAARN CCc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)s1 ZINC000952980042 1049687183 /nfs/dbraw/zinc/68/71/83/1049687183.db2.gz TUGPAQSWISWHNT-ZDUSSCGKSA-N 0 0 331.437 4.121 50 0 EIAARN COc1ccccc1COc1cccc(NC2CCOCC2)c1C ZINC000179603192 1049694571 /nfs/dbraw/zinc/69/45/71/1049694571.db2.gz DCNPMCONUXIHLU-UHFFFAOYSA-N 0 0 327.424 4.174 50 0 EIAARN Cc1cc(-c2csc(-c3cccs3)n2)c(C)n1-c1nc[nH]n1 ZINC000007844712 1049754763 /nfs/dbraw/zinc/75/47/63/1049754763.db2.gz ULAMJRFTTWNKLV-UHFFFAOYSA-N 0 0 327.438 4.064 50 0 EIAARN Cn1cccc1[C@@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000007855516 1049842300 /nfs/dbraw/zinc/84/23/00/1049842300.db2.gz UIRLCRUHWYJUAJ-INIZCTEOSA-N 0 0 342.830 4.066 50 0 EIAARN CC(C)(C)c1nn(-c2ccccc2)cc1CNc1nnc(C2CC2)o1 ZINC000181516532 1050172364 /nfs/dbraw/zinc/17/23/64/1050172364.db2.gz SBNYJNDSOVEVMZ-UHFFFAOYSA-N 0 0 337.427 4.042 50 0 EIAARN CC(C)c1ccccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000183911150 1051629003 /nfs/dbraw/zinc/62/90/03/1051629003.db2.gz LVZQATORWAEZQQ-NRFANRHFSA-N 0 0 336.435 4.473 50 0 EIAARN C[S@](=O)Cc1ccc(Cl)c(NCc2ncc(C(C)(C)C)o2)c1 ZINC000085277732 1053148170 /nfs/dbraw/zinc/14/81/70/1053148170.db2.gz DABCPJYCBCRFSU-JOCHJYFZSA-N 0 0 340.876 4.116 50 0 EIAARN Fc1ccc([C@@H]2CC[C@@H]2c2nc(Cn3cnc4ccccc43)no2)cc1 ZINC000528170441 1053573847 /nfs/dbraw/zinc/57/38/47/1053573847.db2.gz ZIQATWGBICVHPZ-HOTGVXAUSA-N 0 0 348.381 4.268 50 0 EIAARN C[C@H](NC(=O)N[C@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000054950659 1056684103 /nfs/dbraw/zinc/68/41/03/1056684103.db2.gz GWGRFVYQIRLIMW-BBRMVZONSA-N 0 0 334.423 4.001 50 0 EIAARN Cn1cc(CNc2ccc3cc[nH]c(=O)c3c2)c(C2CCCCC2)n1 ZINC000580887252 1059802597 /nfs/dbraw/zinc/80/25/97/1059802597.db2.gz NMXAOICGKPWCQD-UHFFFAOYSA-N 0 0 336.439 4.334 50 0 EIAARN Cc1ccsc1C(=O)N1CC[C@@H](CCOc2ccccc2F)C1 ZINC000581788779 1059991044 /nfs/dbraw/zinc/99/10/44/1059991044.db2.gz WEAUFGVTRYICPL-AWEZNQCLSA-N 0 0 333.428 4.127 50 0 EIAARN O=C(Nc1ccccc1)N1CCCCC[C@H]1c1nc(C2CC2)no1 ZINC000581788951 1060004488 /nfs/dbraw/zinc/00/44/88/1060004488.db2.gz DLGQQPKTBJRXCE-HNNXBMFYSA-N 0 0 326.400 4.096 50 0 EIAARN Cc1cccc(C(=O)N2CCCCC[C@@H]2c2nc(C3CC3)no2)c1 ZINC000581789381 1060009171 /nfs/dbraw/zinc/00/91/71/1060009171.db2.gz OCSKRZKFXGLWEP-MRXNPFEDSA-N 0 0 325.412 4.013 50 0 EIAARN CCCn1c(C)cnc1[C@@H]1CCN(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000581816246 1060021922 /nfs/dbraw/zinc/02/19/22/1060021922.db2.gz PTVQQYJLMDZCJL-QGZVFWFLSA-N 0 0 340.471 4.240 50 0 EIAARN Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(Cn2cccn2)c1 ZINC000097631919 219042703 /nfs/dbraw/zinc/04/27/03/219042703.db2.gz IYGBMVPIPMJXSY-OAQYLSRUSA-N 0 0 345.446 4.217 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(Cn2cccn2)c1 ZINC000097631918 219043019 /nfs/dbraw/zinc/04/30/19/219043019.db2.gz IYGBMVPIPMJXSY-NRFANRHFSA-N 0 0 345.446 4.217 50 0 EIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)n[nH]2)cc1 ZINC000051315549 214087785 /nfs/dbraw/zinc/08/77/85/214087785.db2.gz GLDONLQPYBNWDH-UHFFFAOYSA-N 0 0 335.407 4.461 50 0 EIAARN CC(C)c1ccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000051354022 214090021 /nfs/dbraw/zinc/09/00/21/214090021.db2.gz CNHGCVXHASVEMN-UHFFFAOYSA-N 0 0 349.789 4.398 50 0 EIAARN CN(C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1)C(C1CC1)C1CC1 ZINC000051587835 214098306 /nfs/dbraw/zinc/09/83/06/214098306.db2.gz GXYSXELTYDFROJ-UHFFFAOYSA-N 0 0 343.471 4.324 50 0 EIAARN CCCN(Cc1nnc(C)o1)[C@H](C)c1ccccc1Br ZINC000052134829 214120194 /nfs/dbraw/zinc/12/01/94/214120194.db2.gz KDMDNCVMCWDESO-LLVKDONJSA-N 0 0 338.249 4.114 50 0 EIAARN CCOCc1ccccc1NC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000052468719 214129501 /nfs/dbraw/zinc/12/95/01/214129501.db2.gz MOFIRGJPXDRRAA-UHFFFAOYSA-N 0 0 342.439 4.286 50 0 EIAARN CCc1c(C(=O)N[C@@H](C)c2cc(C)sc2C)[nH]c(C)c1C(C)=O ZINC000052579885 214136044 /nfs/dbraw/zinc/13/60/44/214136044.db2.gz IUZYWJODPJNYFD-JTQLQIEISA-N 0 0 332.469 4.257 50 0 EIAARN C[C@H](c1ccccc1)N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000004724433 210260306 /nfs/dbraw/zinc/26/03/06/210260306.db2.gz XFICHPYFLQLHLL-CYBMUJFWSA-N 0 0 327.383 4.296 50 0 EIAARN COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000004723914 210259962 /nfs/dbraw/zinc/25/99/62/210259962.db2.gz UOAPWDYNUBZJBX-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN Cc1cccc(C)c1NC(=O)CN(Cc1ccco1)C1CCCC1 ZINC000053139481 214165898 /nfs/dbraw/zinc/16/58/98/214165898.db2.gz FKGZZXVXOFBCSE-UHFFFAOYSA-N 0 0 326.440 4.280 50 0 EIAARN CNC(=O)Nc1cccc(NC(=O)c2ccccc2SC(C)C)c1 ZINC000053237099 214171016 /nfs/dbraw/zinc/17/10/16/214171016.db2.gz RIRILGQZFBIIDZ-UHFFFAOYSA-N 0 0 343.452 4.191 50 0 EIAARN c1nn2cc(CN3CC[C@@H]3c3ccccc3)cnc2c1-c1ccccc1 ZINC000097681908 219047939 /nfs/dbraw/zinc/04/79/39/219047939.db2.gz WXNHFOFJPISDNA-OAQYLSRUSA-N 0 0 340.430 4.343 50 0 EIAARN C[C@@H](NC(=S)N[C@@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000053534345 214188183 /nfs/dbraw/zinc/18/81/83/214188183.db2.gz KHHVOZSRDRQLTM-CXAGYDPISA-N 0 0 344.455 4.265 50 0 EIAARN O[C@H](CSc1ccccn1)Cn1c2ccccc2c2c1CCCC2 ZINC000004710129 210256052 /nfs/dbraw/zinc/25/60/52/210256052.db2.gz KKVULXWNAMOYPI-HNNXBMFYSA-N 0 0 338.476 4.068 50 0 EIAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1cccnc1 ZINC000053674462 214193825 /nfs/dbraw/zinc/19/38/25/214193825.db2.gz ZDVLINNFWTYMND-HXUWFJFHSA-N 0 0 328.371 4.347 50 0 EIAARN Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H](C)c2ccccn2)c(C)c1 ZINC000054000377 214209797 /nfs/dbraw/zinc/20/97/97/214209797.db2.gz AMWXIHPXRILWRX-KRWDZBQOSA-N 0 0 338.451 4.237 50 0 EIAARN CCn1c(CN[C@H](C)c2ccc(OC)c(F)c2)nc2ccccc21 ZINC000054041188 214211868 /nfs/dbraw/zinc/21/18/68/214211868.db2.gz MAISWIQCYUHBLO-CYBMUJFWSA-N 0 0 327.403 4.055 50 0 EIAARN COc1cc(C=O)ccc1OCCOc1cc(Cl)ccc1Cl ZINC000004701959 210253949 /nfs/dbraw/zinc/25/39/49/210253949.db2.gz XAHZXVOTHMJIPT-UHFFFAOYSA-N 0 0 341.190 4.272 50 0 EIAARN Fc1ccc([C@H]2CCN2Cc2cnn(-c3cccc(F)c3)c2)cc1 ZINC000097730032 219051477 /nfs/dbraw/zinc/05/14/77/219051477.db2.gz WABWMDURXXQJNL-LJQANCHMSA-N 0 0 325.362 4.098 50 0 EIAARN CCCN(C(=O)c1ccc2n[nH]nc2c1)[C@H](C)c1cc2ccccc2o1 ZINC000054283576 214229422 /nfs/dbraw/zinc/22/94/22/214229422.db2.gz WXBXRGAEBALSBA-CYBMUJFWSA-N 0 0 348.406 4.318 50 0 EIAARN Cc1cnn([C@@H](C)C2CC2)c1NC(=O)CSCc1ccccc1C ZINC000055035945 214265707 /nfs/dbraw/zinc/26/57/07/214265707.db2.gz XTGLBPDPFZQIQK-HNNXBMFYSA-N 0 0 343.496 4.343 50 0 EIAARN CC[C@@H](C)N(Cc1cccnc1)Cc1ccc(OC)c(O)c1Cl ZINC000055053598 214268067 /nfs/dbraw/zinc/26/80/67/214268067.db2.gz DLYQQAYBRCCWCP-CYBMUJFWSA-N 0 0 334.847 4.250 50 0 EIAARN O=C(CCC1CCCCC1)Nc1nnc(Cc2ccccc2)s1 ZINC000004696201 210250079 /nfs/dbraw/zinc/25/00/79/210250079.db2.gz WYHRBLFRWGDYIV-UHFFFAOYSA-N 0 0 329.469 4.428 50 0 EIAARN CC(C)[C@H](C)N(Cc1ccco1)C(=O)Cc1ccc(O)c(Cl)c1 ZINC000055227099 214292402 /nfs/dbraw/zinc/29/24/02/214292402.db2.gz UFUDXEZTLJHLSA-ZDUSSCGKSA-N 0 0 335.831 4.254 50 0 EIAARN CC[C@H](C)N(Cc1ccncc1)C(=O)c1ccccc1OC(F)F ZINC000055244150 214293920 /nfs/dbraw/zinc/29/39/20/214293920.db2.gz MUYGIMHQUCWLEL-ZDUSSCGKSA-N 0 0 334.366 4.124 50 0 EIAARN CC(C)c1cc(CNC(=O)CSCc2ccccc2Cl)no1 ZINC000055282605 214302163 /nfs/dbraw/zinc/30/21/63/214302163.db2.gz IRQFJJPZHJQAIX-UHFFFAOYSA-N 0 0 338.860 4.001 50 0 EIAARN CC(C)CCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000004691560 210249108 /nfs/dbraw/zinc/24/91/08/210249108.db2.gz FDTAJSURPXFTJV-MRXNPFEDSA-N 0 0 332.488 4.327 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cc(C)nc2c(C)cccc12 ZINC000055309470 214305037 /nfs/dbraw/zinc/30/50/37/214305037.db2.gz CEMYNAGRSAOOHW-OAHLLOKOSA-N 0 0 336.439 4.025 50 0 EIAARN CCCCOc1c(CNCc2ccc(Cl)nc2)cccc1OC ZINC000055360883 214312043 /nfs/dbraw/zinc/31/20/43/214312043.db2.gz CTMIVJUYSINOKD-UHFFFAOYSA-N 0 0 334.847 4.212 50 0 EIAARN CCOc1ccccc1CN(CC)C(=O)c1ccc(C(C)=O)s1 ZINC000055393148 214317034 /nfs/dbraw/zinc/31/70/34/214317034.db2.gz KGOKFGCUBIPKHN-UHFFFAOYSA-N 0 0 331.437 4.012 50 0 EIAARN CC[C@@H](C)N(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000055343305 214310590 /nfs/dbraw/zinc/31/05/90/214310590.db2.gz FEFBWFCBCWIWPL-CYBMUJFWSA-N 0 0 332.831 4.264 50 0 EIAARN Cc1nsc(NC(=O)N(C)[C@H](CCC(C)C)c2ccccc2)n1 ZINC000055357811 214310697 /nfs/dbraw/zinc/31/06/97/214310697.db2.gz ZSMMTFRYJUXBNH-OAHLLOKOSA-N 0 0 332.473 4.488 50 0 EIAARN CCc1cc(=O)oc2c1ccc1c2CN(Cc2ccc(C)cc2)CO1 ZINC000055396219 214318944 /nfs/dbraw/zinc/31/89/44/214318944.db2.gz YTINLMADNOKSFV-UHFFFAOYSA-N 0 0 335.403 4.016 50 0 biogenic EIAARN Cc1ncsc1C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000055443261 214324406 /nfs/dbraw/zinc/32/44/06/214324406.db2.gz STMLHGUCEZCLDK-LLVKDONJSA-N 0 0 338.835 4.091 50 0 EIAARN c1ccc(CN(Cc2ccccc2)Cn2nnc3ccccc32)cc1 ZINC000055483770 214326551 /nfs/dbraw/zinc/32/65/51/214326551.db2.gz SDLZRPHXJNFLIO-UHFFFAOYSA-N 0 0 328.419 4.091 50 0 EIAARN C[C@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(OCc2ccccn2)c1 ZINC000055645329 214335109 /nfs/dbraw/zinc/33/51/09/214335109.db2.gz VRRHRNTYPDYXHZ-DLBZAZTESA-N 0 0 336.435 4.194 50 0 EIAARN CC[C@@H](C(=O)Nc1nnc(Cc2ccccc2)s1)c1ccccc1 ZINC000004685283 210247429 /nfs/dbraw/zinc/24/74/29/210247429.db2.gz UBXDHLLNNQNDLQ-MRXNPFEDSA-N 0 0 337.448 4.261 50 0 EIAARN O=C(Nc1ccc(Br)cc1)c1ccc2ccccc2n1 ZINC000004679920 210246363 /nfs/dbraw/zinc/24/63/63/210246363.db2.gz IKLQMYIBTBSMPW-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000056158644 214362371 /nfs/dbraw/zinc/36/23/71/214362371.db2.gz PTMNAMLCBPXOLM-AWEZNQCLSA-N 0 0 341.411 4.003 50 0 EIAARN Cc1nc2cc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)ccc2o1 ZINC000056255976 214367443 /nfs/dbraw/zinc/36/74/43/214367443.db2.gz JKEBDLINBRXBDG-RYUDHWBXSA-N 0 0 326.318 4.443 50 0 EIAARN C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)n1ccnc1 ZINC000056483103 214377412 /nfs/dbraw/zinc/37/74/12/214377412.db2.gz SOJYKHLSICQEDA-XHDPSFHLSA-N 0 0 338.238 4.115 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1ccccn1 ZINC000056520971 214378344 /nfs/dbraw/zinc/37/83/44/214378344.db2.gz HVKNUIATBDXDSN-HNNXBMFYSA-N 0 0 335.329 4.469 50 0 EIAARN CN(Cc1nnc(-c2ccccc2)o1)Cc1c(F)cccc1Cl ZINC000056696535 214385664 /nfs/dbraw/zinc/38/56/64/214385664.db2.gz HVMGRUDHPLFMRC-UHFFFAOYSA-N 0 0 331.778 4.161 50 0 EIAARN O=C(Nc1nc2ccccc2s1)[C@@H](c1ccccc1)n1cccc1 ZINC000056907486 214395193 /nfs/dbraw/zinc/39/51/93/214395193.db2.gz DCVXDMZWXNVZEK-QGZVFWFLSA-N 0 0 333.416 4.326 50 0 EIAARN CC(=O)N(c1nc(CN2CCC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000049982620 214038742 /nfs/dbraw/zinc/03/87/42/214038742.db2.gz BEVIMMAXNBLRPG-OAHLLOKOSA-N 0 0 343.496 4.368 50 0 EIAARN CCc1nc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2nc1CC ZINC000004671920 210242751 /nfs/dbraw/zinc/24/27/51/210242751.db2.gz CJBAEEXWGFKBAU-QWQRMKEZSA-N 0 0 339.483 4.309 50 0 EIAARN Fc1cccc([C@@H]2CC(C34CC5CC(CC(C5)C3)C4)=NC(=S)N2)c1 ZINC000004670992 210242904 /nfs/dbraw/zinc/24/29/04/210242904.db2.gz YTKAXGVWCAXASR-UTNBAMHJSA-N 0 0 342.483 4.445 50 0 EIAARN Cc1ccccc1C[S@@](=O)Cc1nc(-c2ccccc2Cl)no1 ZINC000058135052 214480492 /nfs/dbraw/zinc/48/04/92/214480492.db2.gz VYRCYJANHPBOTL-QHCPKHFHSA-N 0 0 346.839 4.147 50 0 EIAARN Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)cc1Cl ZINC000004667183 210241895 /nfs/dbraw/zinc/24/18/95/210241895.db2.gz URRKYRZQPZLIGW-ZDUSSCGKSA-N 0 0 335.856 4.097 50 0 EIAARN CCN(C)c1cccc(NC(=O)c2c3c(nc4ccccc42)CCC3)c1 ZINC000058106758 214478025 /nfs/dbraw/zinc/47/80/25/214478025.db2.gz RPLWJGYFNSFLAS-UHFFFAOYSA-N 0 0 345.446 4.432 50 0 EIAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1 ZINC000004663391 210240287 /nfs/dbraw/zinc/24/02/87/210240287.db2.gz QKEQVKLRWZVGRJ-UHFFFAOYSA-N 0 0 342.464 4.301 50 0 EIAARN O=C(Cn1ccc(-c2ccc(F)cc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000058245230 214515436 /nfs/dbraw/zinc/51/54/36/214515436.db2.gz XKAILJZYJQEPQR-UHFFFAOYSA-N 0 0 347.752 4.120 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004653265 210238523 /nfs/dbraw/zinc/23/85/23/210238523.db2.gz YFFKBDVPNYOVNI-UHFFFAOYSA-N 0 0 347.886 4.360 50 0 EIAARN Cc1cccc(C)c1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004648684 210236558 /nfs/dbraw/zinc/23/65/58/210236558.db2.gz QMMOBBFKEICROL-UHFFFAOYSA-N 0 0 341.451 4.002 50 0 EIAARN CN(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000058342407 214553762 /nfs/dbraw/zinc/55/37/62/214553762.db2.gz YPQSGBVFMQYXEA-UHFFFAOYSA-N 0 0 348.328 4.246 50 0 EIAARN O=C(Nc1cccc2cnccc21)N(Cc1cccc(O)c1)C1CC1 ZINC000058342642 214554133 /nfs/dbraw/zinc/55/41/33/214554133.db2.gz DTHLFOAFDJTKHL-UHFFFAOYSA-N 0 0 333.391 4.137 50 0 EIAARN CCc1cccc(C)c1-n1nnnc1C1(Nc2ccccc2)CCCC1 ZINC000004645882 210236325 /nfs/dbraw/zinc/23/63/25/210236325.db2.gz JXYBXIREZRCYPG-UHFFFAOYSA-N 0 0 347.466 4.415 50 0 EIAARN COc1cccc(C2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)c1 ZINC000004644336 210236378 /nfs/dbraw/zinc/23/63/78/210236378.db2.gz MSQYEQJMGRIADS-NVNXTCNLSA-N 0 0 348.185 4.347 50 0 EIAARN CS[C@@H](C)c1cccc(NC(=O)N2CCC3(C2)CCOCC3)c1 ZINC000098014258 219069460 /nfs/dbraw/zinc/06/94/60/219069460.db2.gz QUUGLBLKUKYINM-AWEZNQCLSA-N 0 0 334.485 4.145 50 0 EIAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)N(C)C1CCCC1 ZINC000058369704 214564466 /nfs/dbraw/zinc/56/44/66/214564466.db2.gz YPCOEBUPIBHESR-UHFFFAOYSA-N 0 0 342.464 4.039 50 0 EIAARN Cc1ccc2nc(C)c(C(=O)NCCO[C@@H]3CCCC[C@H]3C)cc2c1 ZINC000058390686 214568306 /nfs/dbraw/zinc/56/83/06/214568306.db2.gz UYUVUXHOCUNYKZ-FOIQADDNSA-N 0 0 340.467 4.177 50 0 EIAARN CCOC(=O)C=C(Nc1ccc2[nH]c(C)c(C)c2c1)C(F)(F)F ZINC000004624145 210233937 /nfs/dbraw/zinc/23/39/37/210233937.db2.gz WAPIDVXAYHXRFH-RIYZIHGNSA-N 0 0 326.318 4.206 50 0 EIAARN O=C(CSc1nc2ccccc2o1)N1CCC[C@H]1C1CCCCC1 ZINC000058427395 214584305 /nfs/dbraw/zinc/58/43/05/214584305.db2.gz ANCVIRWTYCTAFO-INIZCTEOSA-N 0 0 344.480 4.491 50 0 EIAARN CCCC(=O)Nc1cccc(NCCOc2ccccc2F)c1C ZINC000058434909 214587924 /nfs/dbraw/zinc/58/79/24/214587924.db2.gz GRPQBDZKYZYOJE-UHFFFAOYSA-N 0 0 330.403 4.364 50 0 EIAARN O=C(/C=C\c1ccc2c(c1)OCO2)NCc1ccc(-c2ccccc2)o1 ZINC000098055061 219074716 /nfs/dbraw/zinc/07/47/16/219074716.db2.gz KHGVPKYHNIRXHJ-XFFZJAGNSA-N 0 0 347.370 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/nfs/dbraw/zinc/10/52/22/219105222.db2.gz BPTMEHZRBCEALN-OALUTQOASA-N 0 0 335.403 4.467 50 0 EIAARN O=C1NC(=Cc2ccc(-c3cccc(F)c3)o2)C(=O)N1c1ccccc1 ZINC000004456164 210193347 /nfs/dbraw/zinc/19/33/47/210193347.db2.gz OMOHASILCPADTJ-SFQUDFHCSA-N 0 0 348.333 4.183 50 0 EIAARN CCc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000064580997 214795003 /nfs/dbraw/zinc/79/50/03/214795003.db2.gz HFOHOJPVMHNONQ-UHFFFAOYSA-N 0 0 325.799 4.340 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)cs2)n1C ZINC000064676589 214800236 /nfs/dbraw/zinc/80/02/36/214800236.db2.gz LFIFLTMBDKMLNT-UHFFFAOYSA-N 0 0 325.437 4.326 50 0 EIAARN CC(C)c1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2CCO)cc1 ZINC000004389071 210186039 /nfs/dbraw/zinc/18/60/39/210186039.db2.gz OVCZOLKPFIIYMW-IFMALSPDSA-N 0 0 334.463 4.126 50 0 EIAARN Fc1cccc(Cl)c1[C@@H]1CC(c2ccccc2)=Nc2ncnn21 ZINC000100993534 219112899 /nfs/dbraw/zinc/11/28/99/219112899.db2.gz TZKYVSVLKMTGEL-HNNXBMFYSA-N 0 0 326.762 4.127 50 0 EIAARN Cc1ccc(-c2noc(CN(C(=O)C3CCCCC3)C(C)C)n2)cc1 ZINC000004384540 210184820 /nfs/dbraw/zinc/18/48/20/210184820.db2.gz KWBKAPAMFCJNRN-UHFFFAOYSA-N 0 0 341.455 4.362 50 0 EIAARN Cc1nc(Nc2ccccc2)sc1C(=O)NCc1ccc(C)cc1 ZINC000064757714 214802935 /nfs/dbraw/zinc/80/29/35/214802935.db2.gz KLKZZQIAPHJMHL-UHFFFAOYSA-N 0 0 337.448 4.434 50 0 EIAARN Cc1cccc(C[C@@H]2c3cc(Br)ccc3N(C)C2=O)c1 ZINC000101014625 219113732 /nfs/dbraw/zinc/11/37/32/219113732.db2.gz OFGYUTVRNNCUIU-OAHLLOKOSA-N 0 0 330.225 4.060 50 0 EIAARN COc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000004382925 210183839 /nfs/dbraw/zinc/18/38/39/210183839.db2.gz PCDMRXYDMPEFQM-UHFFFAOYSA-N 0 0 330.693 4.015 50 0 EIAARN CCc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101016629 219114568 /nfs/dbraw/zinc/11/45/68/219114568.db2.gz WDZCZXXOSVQBLZ-OAHLLOKOSA-N 0 0 330.225 4.290 50 0 EIAARN CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000004355050 210179218 /nfs/dbraw/zinc/17/92/18/210179218.db2.gz JBLLAFHRCVRHQJ-UHFFFAOYSA-N 0 0 343.434 4.150 50 0 EIAARN COc1ccc(C(=O)CSc2ccc(-c3ccccc3)nn2)cc1 ZINC000004355435 210179278 /nfs/dbraw/zinc/17/92/78/210179278.db2.gz XJVZAOYDSSIWQX-UHFFFAOYSA-N 0 0 336.416 4.127 50 0 EIAARN CN(Cc1ccccc1F)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173463 219118430 /nfs/dbraw/zinc/11/84/30/219118430.db2.gz FLFUABZSQYAQLW-NRFANRHFSA-N 0 0 346.405 4.351 50 0 EIAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064985092 214821392 /nfs/dbraw/zinc/82/13/92/214821392.db2.gz ILOUSGZBNNAHHK-OAHLLOKOSA-N 0 0 329.400 4.176 50 0 EIAARN COc1ccc(-c2cc(OC)c3cc(NC(=O)C4CC4)ccc3n2)cc1 ZINC000065034178 214825148 /nfs/dbraw/zinc/82/51/48/214825148.db2.gz HJLFFQOTOJTKSW-UHFFFAOYSA-N 0 0 348.402 4.268 50 0 EIAARN CCc1cccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)cc2)c1 ZINC000065084365 214827011 /nfs/dbraw/zinc/82/70/11/214827011.db2.gz ZSCHZIQXKPLWAM-UHFFFAOYSA-N 0 0 346.430 4.229 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3F)s2)c(C)c1 ZINC000065083068 214827172 /nfs/dbraw/zinc/82/71/72/214827172.db2.gz XTJMOAYHSMWPSZ-UHFFFAOYSA-N 0 0 345.374 4.352 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)CCC2 ZINC000065114228 214829143 /nfs/dbraw/zinc/82/91/43/214829143.db2.gz JGTCLTDQVWOBTC-UHFFFAOYSA-N 0 0 347.418 4.347 50 0 EIAARN COC(=O)c1cc(OCc2ccccc2)c2cc(Cl)ccc2n1 ZINC000065033434 214824227 /nfs/dbraw/zinc/82/42/27/214824227.db2.gz GORJWAAOYNKIPV-UHFFFAOYSA-N 0 0 327.767 4.254 50 0 EIAARN COC(=O)c1cc(OCc2ccc(F)cc2Cl)c2ccccc2n1 ZINC000065033062 214824277 /nfs/dbraw/zinc/82/42/77/214824277.db2.gz XIKDCFLKUUYBOE-UHFFFAOYSA-N 0 0 345.757 4.393 50 0 EIAARN COc1ccc(CC(=O)Nc2cc(-c3ccsc3)no2)cc1Cl ZINC000065153245 214834761 /nfs/dbraw/zinc/83/47/61/214834761.db2.gz YYZFEPQGXJQXPG-UHFFFAOYSA-N 0 0 348.811 4.246 50 0 EIAARN CCc1cccc2sc(NC(=O)CCOc3ccccc3)nc21 ZINC000004325791 210171478 /nfs/dbraw/zinc/17/14/78/210171478.db2.gz BZMWZXAJPHQSCB-UHFFFAOYSA-N 0 0 326.421 4.266 50 0 EIAARN Cc1c(C)n(Cc2cccnc2)c2ncn(C3CCCCCC3)c(=N)c12 ZINC000101413514 219126596 /nfs/dbraw/zinc/12/65/96/219126596.db2.gz MSMIBZWFLKYGJS-UHFFFAOYSA-N 0 0 349.482 4.273 50 0 EIAARN Cc1ccc(-n2cc(C3CCN(C(=O)c4ccccc4)CC3)cn2)cc1 ZINC000065173081 214838426 /nfs/dbraw/zinc/83/84/26/214838426.db2.gz HHUAIEPLZOSGJY-UHFFFAOYSA-N 0 0 345.446 4.201 50 0 EIAARN CCCn1cc(-c2ccnc(N[C@@H](C)c3ccc(F)cc3)n2)c(C)n1 ZINC000048393852 213936858 /nfs/dbraw/zinc/93/68/58/213936858.db2.gz XDJYHSGGVZIBMK-ZDUSSCGKSA-N 0 0 339.418 4.371 50 0 EIAARN CCOc1ccc(C(=O)NCc2cccnc2-c2cccc(C)c2)cc1 ZINC000065171229 214837954 /nfs/dbraw/zinc/83/79/54/214837954.db2.gz KNWSMFAWQDPFNH-UHFFFAOYSA-N 0 0 346.430 4.386 50 0 EIAARN CCc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 ZINC000004314983 210167685 /nfs/dbraw/zinc/16/76/85/210167685.db2.gz USXFAGOCCIKGLH-UHFFFAOYSA-N 0 0 334.423 4.007 50 0 EIAARN CC(C)c1nnc(-c2sccc2NC(=O)c2cccc(F)c2)o1 ZINC000065218714 214845249 /nfs/dbraw/zinc/84/52/49/214845249.db2.gz FPVKDGMQIZQLCN-UHFFFAOYSA-N 0 0 331.372 4.313 50 0 EIAARN CCc1cccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1 ZINC000004315747 210167320 /nfs/dbraw/zinc/16/73/20/210167320.db2.gz CLVLCHMQUAKAEP-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN CCc1cccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)c1 ZINC000004315748 210167139 /nfs/dbraw/zinc/16/71/39/210167139.db2.gz DTMSNQIPTWDYLD-UHFFFAOYSA-N 0 0 334.423 4.007 50 0 EIAARN COc1ccc(-n2c(=N)scc2-c2ccc(Cl)cc2)cc1OC ZINC000004306913 210166219 /nfs/dbraw/zinc/16/62/19/210166219.db2.gz KAQGNOVKYGJJOC-UHFFFAOYSA-N 0 0 346.839 4.356 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1 ZINC000004303391 210165349 /nfs/dbraw/zinc/16/53/49/210165349.db2.gz KMFDKKYOSGKBJB-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C1CCCCC1 ZINC000004305113 210165141 /nfs/dbraw/zinc/16/51/41/210165141.db2.gz WMQGBZKHHMUAJL-LJQANCHMSA-N 0 0 338.451 4.080 50 0 EIAARN CCCCC(=O)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304756 210164674 /nfs/dbraw/zinc/16/46/74/210164674.db2.gz PBBUKCNZBKCCKE-UHFFFAOYSA-N 0 0 325.437 4.415 50 0 EIAARN CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000004283751 210161247 /nfs/dbraw/zinc/16/12/47/210161247.db2.gz LWKFXDGNAOHLFX-UHFFFAOYSA-N 0 0 345.826 4.485 50 0 EIAARN C[C@@H](NC(=O)Nc1ccc(Br)cc1F)c1ccco1 ZINC000048332912 213923395 /nfs/dbraw/zinc/92/33/95/213923395.db2.gz GNPPFLORPXMECK-MRVPVSSYSA-N 0 0 327.153 4.064 50 0 EIAARN Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc(F)c2)S3)c1 ZINC000004268671 210156793 /nfs/dbraw/zinc/15/67/93/210156793.db2.gz LBGSPNZGLOXFFU-OAHLLOKOSA-N 0 0 339.395 4.270 50 0 EIAARN Cc1ccc(C(=O)Nc2cccnc2N2CCCC2)cc1-n1cccc1 ZINC000048252276 213903361 /nfs/dbraw/zinc/90/33/61/213903361.db2.gz BHPWNWDZXTZNJZ-UHFFFAOYSA-N 0 0 346.434 4.033 50 0 EIAARN CCSCCn1cnc(-c2ccccc2)c1-c1ccc(CO)o1 ZINC000065386160 214883937 /nfs/dbraw/zinc/88/39/37/214883937.db2.gz IPYSAPDPSBPUKA-UHFFFAOYSA-N 0 0 328.437 4.056 50 0 EIAARN OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000004198750 210143918 /nfs/dbraw/zinc/14/39/18/210143918.db2.gz DVQYFYUODSFBFS-UHFFFAOYSA-N 0 0 340.426 4.216 50 0 EIAARN Cc1oc(-c2ccccc2)nc1[C@@H]1CC(=O)Nc2cc(O)c(C)cc21 ZINC000065428171 214907018 /nfs/dbraw/zinc/90/70/18/214907018.db2.gz LSDFWASRQPHJBR-OAHLLOKOSA-N 0 0 334.375 4.138 50 0 EIAARN Cc1sc(NC(=O)C(F)(F)F)nc1C12CC3CC(CC(C3)C1)C2 ZINC000004174447 210140177 /nfs/dbraw/zinc/14/01/77/210140177.db2.gz OJZAAWGPDLHEGE-UHFFFAOYSA-N 0 0 344.402 4.420 50 0 EIAARN Cc1ccccc1-c1nsc(SCC(=O)Nc2ccccc2)n1 ZINC000004167431 210138458 /nfs/dbraw/zinc/13/84/58/210138458.db2.gz OAIWOPMMMAYCFK-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN CN(C(=O)c1ccco1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000004166636 210137201 /nfs/dbraw/zinc/13/72/01/210137201.db2.gz WEOOMIYJBKQQHM-SFHVURJKSA-N 0 0 331.799 4.044 50 0 EIAARN Cc1nn(CCC(C)C)c2c1[C@@H](CCc1ccccc1)CC(=O)N2 ZINC000065529568 214947900 /nfs/dbraw/zinc/94/79/00/214947900.db2.gz VIGQSQGBNUWBLM-KRWDZBQOSA-N 0 0 325.456 4.296 50 0 EIAARN Cc1cc2cc(CNC(=O)Cc3cccc4ccccc43)ccc2[nH]1 ZINC000004138106 210129449 /nfs/dbraw/zinc/12/94/49/210129449.db2.gz WPELLEBIAOWNNP-UHFFFAOYSA-N 0 0 328.415 4.488 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)c3ccc(N(C)C)cc3)n2)o1 ZINC000004134686 210128771 /nfs/dbraw/zinc/12/87/71/210128771.db2.gz VZOWAOADBIQXGK-UHFFFAOYSA-N 0 0 327.409 4.030 50 0 EIAARN C[C@@]1(OC(=O)c2ccccc2)CCCC[C@H]1OC(=O)c1ccccc1 ZINC000004127832 210128078 /nfs/dbraw/zinc/12/80/78/210128078.db2.gz RCXVTIDYKZNKOZ-WIYYLYMNSA-N 0 0 338.403 4.402 50 0 EIAARN CCN(CCC(F)(F)F)C(=O)c1cccn1Cc1cccs1 ZINC000065536154 214952471 /nfs/dbraw/zinc/95/24/71/214952471.db2.gz NNDVQGIUZIUHFA-UHFFFAOYSA-N 0 0 330.375 4.012 50 0 EIAARN Cc1cccc(C(=O)N2CCN=C2SCc2ccccc2Cl)c1 ZINC000004120254 210124783 /nfs/dbraw/zinc/12/47/83/210124783.db2.gz UWBDNZQQBFXAET-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000004107353 210122547 /nfs/dbraw/zinc/12/25/47/210122547.db2.gz YSHFPOCLENQUDE-JLHYYAGUSA-N 0 0 345.402 4.267 50 0 EIAARN O=C(Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2)cc1)c1ccccc1 ZINC000004108238 210121963 /nfs/dbraw/zinc/12/19/63/210121963.db2.gz DOHMPVBIDCOVAA-LJQANCHMSA-N 0 0 344.370 4.335 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000004087755 210116727 /nfs/dbraw/zinc/11/67/27/210116727.db2.gz OTCYOTFUBMRKMN-UHFFFAOYSA-N 0 0 339.420 4.245 50 0 EIAARN Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000004077165 210114313 /nfs/dbraw/zinc/11/43/13/210114313.db2.gz VJUZBQKOBICAAA-UHFFFAOYSA-N 0 0 335.432 4.180 50 0 EIAARN Cc1sc(NC(=O)c2ccc(N(C)C)cc2)nc1-c1ccccc1 ZINC000004059053 210110458 /nfs/dbraw/zinc/11/04/58/210110458.db2.gz ZVLGHOXJLPCFMT-UHFFFAOYSA-N 0 0 337.448 4.437 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCc1ccc2c(cc(C)n2C)c1 ZINC000004061520 210110374 /nfs/dbraw/zinc/11/03/74/210110374.db2.gz OMVJXRRMMNKJNJ-UHFFFAOYSA-N 0 0 342.826 4.079 50 0 EIAARN CC[C@@](C)(Nc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000046078172 213779084 /nfs/dbraw/zinc/77/90/84/213779084.db2.gz CCMOLWOZSKYRLL-QGZVFWFLSA-N 0 0 327.819 4.053 50 0 EIAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033425 210104246 /nfs/dbraw/zinc/10/42/46/210104246.db2.gz FGPDXXTYKFWGIV-CQSZACIVSA-N 0 0 337.398 4.106 50 0 EIAARN Cc1[nH]nc2c1[C@H](c1ccccc1OCc1ccccc1C)CC(=O)N2 ZINC000046016609 213773274 /nfs/dbraw/zinc/77/32/74/213773274.db2.gz GILRGARIVQKRPR-KRWDZBQOSA-N 0 0 347.418 4.080 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2c(C)onc2-c2cccc(F)c2)cc1 ZINC000046046737 213776673 /nfs/dbraw/zinc/77/66/73/213776673.db2.gz OVVZBPUOEACHTD-UHFFFAOYSA-N 0 0 338.338 4.244 50 0 EIAARN O=C(Nc1ccccc1)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000004033216 210105270 /nfs/dbraw/zinc/10/52/70/210105270.db2.gz LWYGKOPWCTYUTD-UHFFFAOYSA-N 0 0 329.363 4.040 50 0 EIAARN CCCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(F)c1 ZINC000045901215 213764925 /nfs/dbraw/zinc/76/49/25/213764925.db2.gz LPNWQKYGIUMJHC-UHFFFAOYSA-N 0 0 343.333 4.218 50 0 EIAARN Cc1nc(CSCCC(=O)N[C@H](C)CCCC(C)C)cs1 ZINC000045897075 213764746 /nfs/dbraw/zinc/76/47/46/213764746.db2.gz KJEVOTAKYPODEL-CYBMUJFWSA-N 0 0 328.547 4.406 50 0 EIAARN CCCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)cc1C ZINC000045901180 213765211 /nfs/dbraw/zinc/76/52/11/213765211.db2.gz CPHUCZJZWJWECI-UHFFFAOYSA-N 0 0 339.370 4.388 50 0 EIAARN CC(C)Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)no1 ZINC000003909127 210091034 /nfs/dbraw/zinc/09/10/34/210091034.db2.gz WZXYHKQWISNNQV-UHFFFAOYSA-N 0 0 328.290 4.024 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000003907781 210091021 /nfs/dbraw/zinc/09/10/21/210091021.db2.gz CHVMLZJRWUGZTQ-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 aggregator EIAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2O)on1 ZINC000003908573 210091670 /nfs/dbraw/zinc/09/16/70/210091670.db2.gz ZSLKYLLECOHLQJ-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN Cc1cc2ncn(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2cc1C ZINC000003905910 210090498 /nfs/dbraw/zinc/09/04/98/210090498.db2.gz HNCQNBPYTXICMT-UHFFFAOYSA-N 0 0 342.464 4.188 50 0 EIAARN COc1ccc([C@@H]2NN=C3c4[nH]c5ccc(C)cc5c4CC[C@H]32)cc1 ZINC000003905313 210090374 /nfs/dbraw/zinc/09/03/74/210090374.db2.gz OEQNJRVAURILHT-LPHOPBHVSA-N 0 0 331.419 4.096 50 0 EIAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)C(C)(C)C ZINC000003906495 210090189 /nfs/dbraw/zinc/09/01/89/210090189.db2.gz TZUQAKMULOHTDW-UHFFFAOYSA-N 0 0 325.387 4.433 50 0 EIAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccccc1 ZINC000003906444 210089789 /nfs/dbraw/zinc/08/97/89/210089789.db2.gz GQNFXWCQPRGZAI-UHFFFAOYSA-N 0 0 331.350 4.393 50 0 EIAARN CCCCOc1ccc(OC(=O)c2ccc(Br)o2)cc1 ZINC000003897750 210088219 /nfs/dbraw/zinc/08/82/19/210088219.db2.gz BSXYZMUJCRZHDB-UHFFFAOYSA-N 0 0 339.185 4.440 50 0 EIAARN O=c1oc(/C=C/c2ccccc2)nc2ccc(Br)cc12 ZINC000003899394 210087931 /nfs/dbraw/zinc/08/79/31/210087931.db2.gz FSHOMKHJBFDOMW-RMKNXTFCSA-N 0 0 328.165 4.121 50 0 EIAARN CCCCCCOC(=O)c1ccc(OC(=O)c2cccnc2)cc1 ZINC000003898124 210087574 /nfs/dbraw/zinc/08/75/74/210087574.db2.gz FPAGQJADJCLIDT-UHFFFAOYSA-N 0 0 327.380 4.038 50 0 biogenic EIAARN COc1ccc(/C=C/C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000003896894 210086418 /nfs/dbraw/zinc/08/64/18/210086418.db2.gz OBIXSTSCWHUDQN-QPJJXVBHSA-N 0 0 339.479 4.431 50 0 biogenic EIAARN CC(=O)O[C@@H](C)OC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000003872601 210082506 /nfs/dbraw/zinc/08/25/06/210082506.db2.gz ALIVXCSEERJYHU-TZMCWYRMSA-N 0 0 330.355 4.049 50 0 in-man EIAARN Cc1cc(C(=O)Nc2ccn(C)n2)sc1-c1cccc(Cl)c1 ZINC000102221900 219191138 /nfs/dbraw/zinc/19/11/38/219191138.db2.gz JMZAUAFBFYBBEB-UHFFFAOYSA-N 0 0 331.828 4.363 50 0 EIAARN CC(C)(C)C(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1 ZINC000066257732 215028240 /nfs/dbraw/zinc/02/82/40/215028240.db2.gz AMHDYQSDKNMZQA-UHFFFAOYSA-N 0 0 342.823 4.160 50 0 EIAARN Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000003620150 210066862 /nfs/dbraw/zinc/06/68/62/210066862.db2.gz OTZVVPORQNTIMH-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN CCCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1OC ZINC000003615757 210066515 /nfs/dbraw/zinc/06/65/15/210066515.db2.gz UCJJQNVAMKDVLY-UHFFFAOYSA-N 0 0 349.814 4.398 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003620163 210067907 /nfs/dbraw/zinc/06/79/07/210067907.db2.gz RJIRNOZHFIPKOO-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1Cl ZINC000003620077 210067253 /nfs/dbraw/zinc/06/72/53/210067253.db2.gz KKMSNWPQLONGMS-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN CCOc1ccccc1CS[C@H](C)C(=O)Nc1ccccc1OC ZINC000045090253 213706674 /nfs/dbraw/zinc/70/66/74/213706674.db2.gz FINKWLUXJWFDJI-CQSZACIVSA-N 0 0 345.464 4.354 50 0 EIAARN COCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000003589499 210059396 /nfs/dbraw/zinc/05/93/96/210059396.db2.gz RSFWYGJFXFRKPK-UHFFFAOYSA-N 0 0 344.846 4.115 50 0 EIAARN Cc1cc(OCCCC(=O)NCc2ccc(F)cc2)ccc1Cl ZINC000003551585 210053015 /nfs/dbraw/zinc/05/30/15/210053015.db2.gz ZCOXQZOIDBYZQJ-UHFFFAOYSA-N 0 0 335.806 4.263 50 0 EIAARN Cc1cccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c1C ZINC000003541078 210049746 /nfs/dbraw/zinc/04/97/46/210049746.db2.gz KXBHLDLCJOXJOL-UHFFFAOYSA-N 0 0 334.822 4.166 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 ZINC000003559851 210054573 /nfs/dbraw/zinc/05/45/73/210054573.db2.gz IHFRIRXTDJMOGM-UHFFFAOYSA-N 0 0 337.375 4.099 50 0 EIAARN CCc1cccc(NC(=O)c2cc(OC)ccc2Br)c1 ZINC000003473034 210047672 /nfs/dbraw/zinc/04/76/72/210047672.db2.gz ABYMMIRVKLUSEQ-UHFFFAOYSA-N 0 0 334.213 4.272 50 0 EIAARN CCOc1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000003472642 210047708 /nfs/dbraw/zinc/04/77/08/210047708.db2.gz SEPDKCLBJXGRNK-UHFFFAOYSA-N 0 0 335.407 4.140 50 0 EIAARN O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102604148 219214006 /nfs/dbraw/zinc/21/40/06/219214006.db2.gz ZHROHXUSNRXPSJ-QGTPRVQTSA-N 0 0 339.822 4.413 50 0 EIAARN C[C@H](NC(=O)c1ccccc1NC(=O)C1CCCC1)c1ccccc1 ZINC000003458348 210045885 /nfs/dbraw/zinc/04/58/85/210045885.db2.gz GCWWWKITYCFRIF-HNNXBMFYSA-N 0 0 336.435 4.306 50 0 EIAARN C[C@H]1CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccc3ncccc3c2)C1 ZINC000102602635 219213133 /nfs/dbraw/zinc/21/31/33/219213133.db2.gz XZKYGSHMXHSJRY-BMLIUANNSA-N 0 0 347.378 4.099 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)COc2ccc(NC(C)=O)cc2)cc1 ZINC000003447437 210042652 /nfs/dbraw/zinc/04/26/52/210042652.db2.gz ZRYCTYBFDLDVQL-CQSZACIVSA-N 0 0 340.423 4.176 50 0 EIAARN COc1cccc(NC(=O)c2cc(-c3cccc4ccccc43)[nH]n2)c1 ZINC000044837979 213649715 /nfs/dbraw/zinc/64/97/15/213649715.db2.gz IZBINRIWFJCBTO-UHFFFAOYSA-N 0 0 343.386 4.491 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000003443728 210041824 /nfs/dbraw/zinc/04/18/24/210041824.db2.gz FCYFVAXLPPJBDU-ZDUSSCGKSA-N 0 0 331.799 4.257 50 0 EIAARN CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1cccs1 ZINC000003436058 210038922 /nfs/dbraw/zinc/03/89/22/210038922.db2.gz OCUAXYJLWBIQBF-UHFFFAOYSA-N 0 0 329.252 4.125 50 0 EIAARN CCc1cccc2c(C(=O)COC(=O)C=Cc3ccc(C)o3)c[nH]c21 ZINC000003424818 210036217 /nfs/dbraw/zinc/03/62/17/210036217.db2.gz FFHWNHNJNVRKQX-MDZDMXLPSA-N 0 0 337.375 4.071 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000003424942 210036058 /nfs/dbraw/zinc/03/60/58/210036058.db2.gz KHDLXPMLPFYZGD-UHFFFAOYSA-N 0 0 348.324 4.085 50 0 EIAARN O=S(=O)(Cc1coc(-c2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000044640751 213639089 /nfs/dbraw/zinc/63/90/89/213639089.db2.gz LRNXPRGOQYMXLI-UHFFFAOYSA-N 0 0 347.823 4.110 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc2ccccc2n1 ZINC000003430734 210037540 /nfs/dbraw/zinc/03/75/40/210037540.db2.gz DVVIEEYVQMNDQN-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN CCC(CC)c1nnc(NC(=O)c2ccc3ncsc3c2)s1 ZINC000003430577 210036977 /nfs/dbraw/zinc/03/69/77/210036977.db2.gz GYHRRVMGVZKSRH-UHFFFAOYSA-N 0 0 332.454 4.304 50 0 EIAARN O=C1C[C@H](c2ccco2)CC2=Nc3nonc3N[C@@H](c3ccccc3)C12 ZINC000102744009 219227431 /nfs/dbraw/zinc/22/74/31/219227431.db2.gz AHOFYAJZRCKICY-PXAZEXFGSA-N 0 0 348.362 4.292 50 0 EIAARN COc1ccccc1CNc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000003362944 210019017 /nfs/dbraw/zinc/01/90/17/210019017.db2.gz DZPHSXIQGVSYSS-UHFFFAOYSA-N 0 0 340.404 4.160 50 0 EIAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccncc1 ZINC000003357178 210017134 /nfs/dbraw/zinc/01/71/34/210017134.db2.gz JLEGDZVVNBCRQH-LJQANCHMSA-N 0 0 341.414 4.125 50 0 EIAARN COc1cccc(COC(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000003357211 210016884 /nfs/dbraw/zinc/01/68/84/210016884.db2.gz JXDUYNCLQNWBQE-UHFFFAOYSA-N 0 0 346.382 4.283 50 0 EIAARN CC(C)(C)c1csc(NC(=O)Cc2c(F)cccc2Cl)n1 ZINC000003354567 210016672 /nfs/dbraw/zinc/01/66/72/210016672.db2.gz VZBMYVWHXTVVSF-UHFFFAOYSA-N 0 0 326.824 4.414 50 0 EIAARN CC(=O)N[C@@H](CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000003354712 210016292 /nfs/dbraw/zinc/01/62/92/210016292.db2.gz NQHMEYHBGWIDGT-IBGZPJMESA-N 0 0 338.451 4.324 50 0 EIAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000003356455 210016058 /nfs/dbraw/zinc/01/60/58/210016058.db2.gz KTZDOJSDVOHDAB-UHFFFAOYSA-N 0 0 336.391 4.167 50 0 EIAARN Cc1cccc(NC(=O)[C@@H](C)Nc2cccc(Br)c2)c1 ZINC000003347847 210015036 /nfs/dbraw/zinc/01/50/36/210015036.db2.gz QMXRSFWMKPBRIC-GFCCVEGCSA-N 0 0 333.229 4.197 50 0 EIAARN Cc1ccc(/C=C2/N=C(c3ccc(C(F)(F)F)cc3)OC2=O)s1 ZINC000003349031 210015234 /nfs/dbraw/zinc/01/52/34/210015234.db2.gz AFFKZZSDBLWCBK-MDWZMJQESA-N 0 0 337.322 4.420 50 0 EIAARN CC[C@H]1CCc2sc(C(=O)NCc3ccccc3OC)cc2C1 ZINC000003344869 210012895 /nfs/dbraw/zinc/01/28/95/210012895.db2.gz SUHOSCOUOCDHBK-ZDUSSCGKSA-N 0 0 329.465 4.202 50 0 EIAARN O=C(COC(=O)c1cccs1)c1ccc2c(c1)-c1ccccc1C2 ZINC000003321451 210006563 /nfs/dbraw/zinc/00/65/63/210006563.db2.gz RCKYJNCEIDIXHO-UHFFFAOYSA-N 0 0 334.396 4.359 50 0 EIAARN CCN(CC)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000003306604 210003262 /nfs/dbraw/zinc/00/32/62/210003262.db2.gz FHUBFDGLPVMFDG-UHFFFAOYSA-N 0 0 332.831 4.204 50 0 EIAARN Cn1c(SCCOc2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000003310886 210003367 /nfs/dbraw/zinc/00/33/67/210003367.db2.gz WYSHADPBDJGHQU-UHFFFAOYSA-N 0 0 345.855 4.307 50 0 EIAARN CCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2cc(F)ccc21 ZINC000067245466 215127577 /nfs/dbraw/zinc/12/75/77/215127577.db2.gz HIFIBOMMERQECO-UHFFFAOYSA-N 0 0 349.365 4.186 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2c(s1)CCCC2 ZINC000003297338 210000872 /nfs/dbraw/zinc/00/08/72/210000872.db2.gz HEAWIFGILDXKAZ-UHFFFAOYSA-N 0 0 340.370 4.222 50 0 EIAARN O=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1nccs1 ZINC000067339890 215135176 /nfs/dbraw/zinc/13/51/76/215135176.db2.gz FWTFAORCPVHCSD-DUXPYHPUSA-N 0 0 349.209 4.304 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CC1CCCC1 ZINC000003251232 209989330 /nfs/dbraw/zinc/98/93/30/209989330.db2.gz CRQPVISZQHIVPX-UHFFFAOYSA-N 0 0 347.455 4.055 50 0 EIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1 ZINC000003237490 209985274 /nfs/dbraw/zinc/98/52/74/209985274.db2.gz NNQPAEUIORKJOW-NUWOQIAWSA-N 0 0 337.504 4.172 50 0 EIAARN Cc1c(C(=O)C(F)(F)F)c2ccccn2c1C(=O)c1ccccc1 ZINC000003212397 209977849 /nfs/dbraw/zinc/97/78/49/209977849.db2.gz UADIATBQGWDGGL-UHFFFAOYSA-N 0 0 331.293 4.224 50 0 EIAARN CCCCN(Cc1ccccc1C)C(=O)CCc1[nH]nc(C)c1C ZINC000067473067 215151062 /nfs/dbraw/zinc/15/10/62/215151062.db2.gz GSQRJKKPGITECM-UHFFFAOYSA-N 0 0 327.472 4.096 50 0 EIAARN Cc1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)no1 ZINC000067497301 215154130 /nfs/dbraw/zinc/15/41/30/215154130.db2.gz WTKJJXZHCMROOW-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN COc1ccc(OC(F)(F)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000003116790 209965020 /nfs/dbraw/zinc/96/50/20/209965020.db2.gz SSOLWTSWJUASNA-UHFFFAOYSA-N 0 0 341.741 4.267 50 0 EIAARN CCOC(=O)Nc1cccc(NC(=O)N(CC)[C@H](C)C(C)C)c1C ZINC000067678644 215182675 /nfs/dbraw/zinc/18/26/75/215182675.db2.gz BAGRQJIHNXNLML-CQSZACIVSA-N 0 0 335.448 4.462 50 0 EIAARN COc1cccc(OC)c1OCCCOc1ccccc1OC(C)C ZINC000002994759 209952064 /nfs/dbraw/zinc/95/20/64/209952064.db2.gz YIMQNGLYILKLIV-UHFFFAOYSA-N 0 0 346.423 4.339 50 0 EIAARN CCCCc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000002981970 209950046 /nfs/dbraw/zinc/95/00/46/209950046.db2.gz YKMORZBLUUUOSS-UHFFFAOYSA-N 0 0 330.428 4.295 50 0 EIAARN CCOc1cccc(OCCOCCOc2cc(C)ccc2C)c1 ZINC000002983547 209949217 /nfs/dbraw/zinc/94/92/17/209949217.db2.gz DTFRECHAXPLEPA-UHFFFAOYSA-N 0 0 330.424 4.177 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)C2=O)c(C)c1 ZINC000002883269 209936656 /nfs/dbraw/zinc/93/66/56/209936656.db2.gz LAMRCTJNQMMBRN-HNNXBMFYSA-N 0 0 344.414 4.444 50 0 EIAARN COc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000002881759 209936705 /nfs/dbraw/zinc/93/67/05/209936705.db2.gz VQYTYFLLLMWANP-UHFFFAOYSA-N 0 0 325.195 4.324 50 0 EIAARN COc1ccccc1-c1ccc(N[C@@H](C)c2csc(C)n2)nn1 ZINC000067935216 215254026 /nfs/dbraw/zinc/25/40/26/215254026.db2.gz OIYFAVIWSBYHLZ-NSHDSACASA-N 0 0 326.425 4.090 50 0 EIAARN COc1ccccc1-c1ccc(N[C@H](C)c2csc(C)n2)nn1 ZINC000067935215 215254314 /nfs/dbraw/zinc/25/43/14/215254314.db2.gz OIYFAVIWSBYHLZ-LLVKDONJSA-N 0 0 326.425 4.090 50 0 EIAARN CC1CCN(C(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)CC1 ZINC000002806829 209919687 /nfs/dbraw/zinc/91/96/87/209919687.db2.gz MVAWPZPDBGRFJX-UHFFFAOYSA-N 0 0 348.903 4.014 50 0 EIAARN CC[C@H](C)C(=O)N1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067965349 215260328 /nfs/dbraw/zinc/26/03/28/215260328.db2.gz REXZSFSNHRIKDE-LBPRGKRZSA-N 0 0 345.464 4.196 50 0 EIAARN CCC[C@@H](C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067983134 215266261 /nfs/dbraw/zinc/26/62/61/215266261.db2.gz NKQUFECKRIYCNV-GFCCVEGCSA-N 0 0 334.366 4.205 50 0 EIAARN CCOc1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002774493 209908216 /nfs/dbraw/zinc/90/82/16/209908216.db2.gz GHXBASKWDHGWLN-UHFFFAOYSA-N 0 0 331.240 4.033 50 0 EIAARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C(=O)OC)C1 ZINC000002749042 209902315 /nfs/dbraw/zinc/90/23/15/209902315.db2.gz DPENGRWLDMVNMZ-NSHDSACASA-N 0 0 347.436 4.203 50 0 EIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1ccccc1 ZINC000002767472 209906181 /nfs/dbraw/zinc/90/61/81/209906181.db2.gz VLRWFPHRRFFWLL-UHFFFAOYSA-N 0 0 339.826 4.454 50 0 EIAARN CCc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3)c2C)cc1 ZINC000002713327 209894598 /nfs/dbraw/zinc/89/45/98/209894598.db2.gz KDSLQNHDZKZZSI-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN COC(=O)c1ccc(Cl)cc1NC(=O)c1cc2ccccc2o1 ZINC000002708315 209893496 /nfs/dbraw/zinc/89/34/96/209893496.db2.gz KIACDYSRAOTSJM-UHFFFAOYSA-N 0 0 329.739 4.125 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)COc2nc3ccccc3nc2C)cc1 ZINC000002652248 209884670 /nfs/dbraw/zinc/88/46/70/209884670.db2.gz DMVKCZIBAREAPM-AWEZNQCLSA-N 0 0 349.434 4.469 50 0 EIAARN CCCSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC ZINC000002645477 209882054 /nfs/dbraw/zinc/88/20/54/209882054.db2.gz LXTHGVVBHLEHCE-UHFFFAOYSA-N 0 0 340.448 4.205 50 0 EIAARN C[C@@H]1CCc2nc(NC(=O)CCSc3ccccc3)sc2C1 ZINC000002642248 209880891 /nfs/dbraw/zinc/88/08/91/209880891.db2.gz RSLHFNPFIYIRQZ-GFCCVEGCSA-N 0 0 332.494 4.389 50 0 EIAARN CCc1cccc2c(C(=O)COC(=O)C=Cc3cccs3)c[nH]c21 ZINC000002640999 209881434 /nfs/dbraw/zinc/88/14/34/209881434.db2.gz IYYKBVFPKRHENO-CMDGGOBGSA-N 0 0 339.416 4.231 50 0 EIAARN Cc1cc(C)c(C(=O)CSc2nncn2-c2ccccc2)cc1C ZINC000002631928 209878671 /nfs/dbraw/zinc/87/86/71/209878671.db2.gz QCMBZNJVVOKAPJ-UHFFFAOYSA-N 0 0 337.448 4.168 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000002624458 209875350 /nfs/dbraw/zinc/87/53/50/209875350.db2.gz GWNPNQCWJYXUOH-UHFFFAOYSA-N 0 0 342.439 4.393 50 0 EIAARN COc1cccc(-c2csc(NC(=O)c3ccccc3F)n2)c1 ZINC000002550176 209866219 /nfs/dbraw/zinc/86/62/19/209866219.db2.gz XLOOVJCGWNBEEN-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN COc1ccc(Br)c(C(=O)c2ccc(Cl)cc2)c1 ZINC000002567548 209868958 /nfs/dbraw/zinc/86/89/58/209868958.db2.gz VDIKTPIPDWEQFN-UHFFFAOYSA-N 0 0 325.589 4.342 50 0 EIAARN CC[C@H](C)c1noc(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000041123109 213420082 /nfs/dbraw/zinc/42/00/82/213420082.db2.gz GDSRFYNXVNYVOR-LBPRGKRZSA-N 0 0 347.846 4.256 50 0 EIAARN Fc1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 ZINC000002471856 209855282 /nfs/dbraw/zinc/85/52/82/209855282.db2.gz DOUNKNPLRLVWTH-LSDHHAIUSA-N 0 0 346.768 4.356 50 0 EIAARN O[C@H](COCc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000002275623 209836996 /nfs/dbraw/zinc/83/69/96/209836996.db2.gz YORFMQKZZOXAJH-SFHVURJKSA-N 0 0 331.415 4.372 50 0 EIAARN Cc1nnc(-c2ccccc2NC(=O)C/C=C\c2ccc(F)cc2)o1 ZINC000104247584 219365844 /nfs/dbraw/zinc/36/58/44/219365844.db2.gz TXYZEVRTOQGOSI-PLNGDYQASA-N 0 0 337.354 4.226 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3CO)ccc2c1 ZINC000068755667 215330777 /nfs/dbraw/zinc/33/07/77/215330777.db2.gz ZWABMEWKBUMVFV-AWEZNQCLSA-N 0 0 335.403 4.083 50 0 EIAARN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000068756312 215332107 /nfs/dbraw/zinc/33/21/07/215332107.db2.gz XIGFGPGVBNVZJQ-UONOGXRCSA-N 0 0 335.234 4.151 50 0 EIAARN COc1ccccc1-n1cnnc1SCc1ccc(Cl)s1 ZINC000068926094 215346866 /nfs/dbraw/zinc/34/68/66/215346866.db2.gz LRUQAOUSMCOIPF-UHFFFAOYSA-N 0 0 337.857 4.283 50 0 EIAARN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cnc2ccccc2c1O ZINC000068933346 215347128 /nfs/dbraw/zinc/34/71/28/215347128.db2.gz JWJSLKXPQPFMPC-HNNXBMFYSA-N 0 0 348.446 4.014 50 0 EIAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Cl)cc1)CO3 ZINC000002118347 209820796 /nfs/dbraw/zinc/82/07/96/209820796.db2.gz WKGKSOJFEIHFNI-UHFFFAOYSA-N 0 0 341.794 4.420 50 0 biogenic EIAARN C[C@H](c1cccnc1)N(C(=O)c1cnc(Cl)c(Cl)c1)C1CC1 ZINC000069323959 215377407 /nfs/dbraw/zinc/37/74/07/215377407.db2.gz XLCSXEPMSGKQGI-SNVBAGLBSA-N 0 0 336.222 4.149 50 0 EIAARN FC(F)(F)[C@H]1CCCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000069323109 215377561 /nfs/dbraw/zinc/37/75/61/215377561.db2.gz ADIROIMBGJGWKP-NSHDSACASA-N 0 0 345.752 4.164 50 0 EIAARN Cc1occc1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O ZINC000069326648 215378407 /nfs/dbraw/zinc/37/84/07/215378407.db2.gz DEMZFSXWQVLCNN-UHFFFAOYSA-N 0 0 332.425 4.048 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000001993496 209809865 /nfs/dbraw/zinc/80/98/65/209809865.db2.gz KUQYLWZHYNTBGR-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN CC(C)Oc1ccccc1NC(=O)N(Cc1cccnc1)C(C)C ZINC000069380847 215394741 /nfs/dbraw/zinc/39/47/41/215394741.db2.gz UFLIOHRODCFFND-UHFFFAOYSA-N 0 0 327.428 4.311 50 0 EIAARN CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000069378325 215393430 /nfs/dbraw/zinc/39/34/30/215393430.db2.gz MBVURAISMSUZJP-AWEZNQCLSA-N 0 0 330.453 4.305 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N(C)Cc2ccsc2)cc1Cl ZINC000040526878 213336321 /nfs/dbraw/zinc/33/63/21/213336321.db2.gz BAIUJFVASXTLBH-UHFFFAOYSA-N 0 0 337.832 4.024 50 0 EIAARN Cc1nc(-c2ccccc2NC(=O)Cc2cccc3ccccc32)no1 ZINC000040527748 213336431 /nfs/dbraw/zinc/33/64/31/213336431.db2.gz ZOUKNEFXYWWCAB-UHFFFAOYSA-N 0 0 343.386 4.379 50 0 EIAARN CCc1ccc(OCC(=O)c2ccc(O)cc2O)c(C(C)(C)C)c1 ZINC000001792416 209794343 /nfs/dbraw/zinc/79/43/43/209794343.db2.gz BOVKJFXWZNMQGL-UHFFFAOYSA-N 0 0 328.408 4.219 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@H](c3ccc(O)cc3)O2)C1 ZINC000040450001 213304931 /nfs/dbraw/zinc/30/49/31/213304931.db2.gz DCQWZNDAHMRGIR-QFBILLFUSA-N 0 0 333.428 4.013 50 0 EIAARN COc1ccc2c(ccn2CC(=O)Nc2cccc(SC)c2)c1 ZINC000040286948 213288630 /nfs/dbraw/zinc/28/86/30/213288630.db2.gz VSADHPVHFJZHID-UHFFFAOYSA-N 0 0 326.421 4.011 50 0 EIAARN CN(CCc1ccccn1)c1ncnc2sc3c(c21)CCCCC3 ZINC000040160678 213277494 /nfs/dbraw/zinc/27/74/94/213277494.db2.gz MDHATZHKKZYFNT-UHFFFAOYSA-N 0 0 338.480 4.034 50 0 EIAARN CCOc1ccc(Oc2ccc(NC(=O)c3cccn3C)cc2)cc1 ZINC000040160291 213277175 /nfs/dbraw/zinc/27/71/75/213277175.db2.gz BXULEKUMCJPTED-UHFFFAOYSA-N 0 0 336.391 4.468 50 0 EIAARN Cc1ccccc1[C@H]1CCCN1Cc1nc(Cc2ccccc2)no1 ZINC000040153679 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XXTOHTZJKRIWSK-HZPDHXFCSA-N 0 0 326.440 4.194 50 0 EIAARN Cc1ccc(C(=O)N2CCc3c4ccccc4n4c3[C@@H]2CCC4=O)cc1 ZINC000036559116 213099432 /nfs/dbraw/zinc/09/94/32/213099432.db2.gz AUUBUKSCUDJRBW-IBGZPJMESA-N 0 0 344.414 4.123 50 0 biogenic EIAARN CSCc1cccc(C(=O)Nc2cc(NC(C)=O)ccc2C)c1 ZINC000036391893 213094652 /nfs/dbraw/zinc/09/46/52/213094652.db2.gz DUZQGSQZXJSRJO-UHFFFAOYSA-N 0 0 328.437 4.069 50 0 EIAARN O=C(/C=C/c1cccc(Br)c1)Nc1ccc2c(c1)CCO2 ZINC000036390567 213094319 /nfs/dbraw/zinc/09/43/19/213094319.db2.gz XFHODMVDZAIFTO-QPJJXVBHSA-N 0 0 344.208 4.036 50 0 EIAARN Cc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)s1 ZINC000036366071 213091012 /nfs/dbraw/zinc/09/10/12/213091012.db2.gz JJWRODXKHVHMKA-UHFFFAOYSA-N 0 0 348.431 4.102 50 0 EIAARN COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2cccc(F)c2)c1 ZINC000036367041 213090483 /nfs/dbraw/zinc/09/04/83/213090483.db2.gz YMYJRIZVZPVWNE-INIZCTEOSA-N 0 0 337.354 4.144 50 0 EIAARN COc1cccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)c1 ZINC000036359803 213089705 /nfs/dbraw/zinc/08/97/05/213089705.db2.gz KSHCLBOORIAKFM-CQSZACIVSA-N 0 0 343.452 4.266 50 0 EIAARN COc1cccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)c1 ZINC000036359802 213089361 /nfs/dbraw/zinc/08/93/61/213089361.db2.gz KSHCLBOORIAKFM-AWEZNQCLSA-N 0 0 343.452 4.266 50 0 EIAARN O=C1C[C@H](c2ccc(F)c(F)c2)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036357381 213088688 /nfs/dbraw/zinc/08/86/88/213088688.db2.gz NGRRTVBQIKSMSN-CYBMUJFWSA-N 0 0 343.308 4.413 50 0 EIAARN CC(C)c1nnc2n1N1C(=CS[C@H]1c1c[nH]c3ccccc31)S2 ZINC000036353248 213087553 /nfs/dbraw/zinc/08/75/53/213087553.db2.gz ODCBUFNOPDCCGV-HNNXBMFYSA-N 0 0 341.465 4.171 50 0 EIAARN CCOC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 ZINC000000444018 209604150 /nfs/dbraw/zinc/60/41/50/209604150.db2.gz OJCGTYBQFGAZEL-UHFFFAOYSA-N 0 0 348.855 4.003 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c1CO2 ZINC000036145996 213072818 /nfs/dbraw/zinc/07/28/18/213072818.db2.gz CXPYDUGMWHDYSS-HEHGZKQESA-N 0 0 340.423 4.097 50 0 EIAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2)n1)C(=O)C1CC1 ZINC000036114536 213069938 /nfs/dbraw/zinc/06/99/38/213069938.db2.gz BLUGIFWPVWVDHH-CQSZACIVSA-N 0 0 344.480 4.259 50 0 EIAARN CC(=O)N(Cc1csc(COc2cccc(C)c2)n1)CC(C)C ZINC000036106332 213069038 /nfs/dbraw/zinc/06/90/38/213069038.db2.gz TZKGZNJYWQKUMT-UHFFFAOYSA-N 0 0 332.469 4.035 50 0 EIAARN Cc1cc(C)c(C)c(OCc2nc(CN(C)C(=O)C(C)C)cs2)c1 ZINC000036106171 213068417 /nfs/dbraw/zinc/06/84/17/213068417.db2.gz QESHRKMVKOXZNH-UHFFFAOYSA-N 0 0 346.496 4.262 50 0 EIAARN O=C(c1csc(COc2cccc(Cl)c2)n1)N1CCCCC1 ZINC000036084375 213062226 /nfs/dbraw/zinc/06/22/26/213062226.db2.gz GDMKLOOMKNYHPS-UHFFFAOYSA-N 0 0 336.844 4.002 50 0 EIAARN Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)Nc1ccccc1 ZINC000036047245 213058041 /nfs/dbraw/zinc/05/80/41/213058041.db2.gz LKNMARXMBYHUPE-UHFFFAOYSA-N 0 0 336.416 4.306 50 0 EIAARN CC(C)N(Cc1cc(-c2cccs2)on1)C(=O)c1ccccc1 ZINC000036006759 213055293 /nfs/dbraw/zinc/05/52/93/213055293.db2.gz DEVISWSWMHYBLN-UHFFFAOYSA-N 0 0 326.421 4.454 50 0 EIAARN CCCN(Cc1cc(-c2cc(C)ccc2C)on1)C(=O)NC(C)C ZINC000036005684 213055057 /nfs/dbraw/zinc/05/50/57/213055057.db2.gz FHYITWUWQYPBFH-UHFFFAOYSA-N 0 0 329.444 4.288 50 0 EIAARN Cc1ccc(-c2ncc(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000035681813 213046210 /nfs/dbraw/zinc/04/62/10/213046210.db2.gz HNKOIQGITBGQRR-UHFFFAOYSA-N 0 0 333.796 4.136 50 0 EIAARN Cc1ccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCC2)cc1 ZINC000035622473 213042156 /nfs/dbraw/zinc/04/21/56/213042156.db2.gz DCOGCJRYJAIOQT-UHFFFAOYSA-N 0 0 333.439 4.161 50 0 EIAARN CCCc1nnc(NC(=O)c2c(C)noc2-c2ccc(C)cc2)s1 ZINC000035672315 213045050 /nfs/dbraw/zinc/04/50/50/213045050.db2.gz SBBKXPCWNAOXEI-UHFFFAOYSA-N 0 0 342.424 4.015 50 0 EIAARN Cc1ccc(Nc2nc(C(=O)Nc3nccs3)cs2)c(C)c1 ZINC000035596821 213040010 /nfs/dbraw/zinc/04/00/10/213040010.db2.gz FNSLDEWRRCMCPI-UHFFFAOYSA-N 0 0 330.438 4.212 50 0 EIAARN COc1cccc(NC(=O)c2c(C)onc2-c2ccc(F)cc2F)c1 ZINC000035536168 213036623 /nfs/dbraw/zinc/03/66/23/213036623.db2.gz HHSSQYVVXXUEPV-UHFFFAOYSA-N 0 0 344.317 4.189 50 0 EIAARN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)on1 ZINC000035511480 213035092 /nfs/dbraw/zinc/03/50/92/213035092.db2.gz AWBZJIPTLYQNEJ-OAHLLOKOSA-N 0 0 335.354 4.445 50 0 EIAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccsc1 ZINC000035502795 213034187 /nfs/dbraw/zinc/03/41/87/213034187.db2.gz FYWXAVAHBJTOQL-UHFFFAOYSA-N 0 0 331.422 4.298 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccccc1Cl ZINC000035476551 213031191 /nfs/dbraw/zinc/03/11/91/213031191.db2.gz UXTFZJSPJYFYDB-HNNXBMFYSA-N 0 0 344.798 4.438 50 0 EIAARN Cc1nn(C(=O)Nc2ccccc2Br)c2ccccc12 ZINC000035422247 213026763 /nfs/dbraw/zinc/02/67/63/213026763.db2.gz CBFHYVRHWYYFLU-UHFFFAOYSA-N 0 0 330.185 4.187 50 0 EIAARN O=C(/C=C\c1ccco1)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000035227784 213015137 /nfs/dbraw/zinc/01/51/37/213015137.db2.gz ZMOYVINDXBZUBT-SEYXRHQNSA-N 0 0 347.370 4.142 50 0 EIAARN CC(C)[C@@H](C(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1)N(C)C=O ZINC000035243970 213015182 /nfs/dbraw/zinc/01/51/82/213015182.db2.gz OVKNTNIBDGTNQY-SFHVURJKSA-N 0 0 346.515 4.333 50 0 EIAARN Cc1ccc(NC(=O)N2CCc3c(c4ccccc4n3C)C2)cc1C ZINC000034928404 213001238 /nfs/dbraw/zinc/00/12/38/213001238.db2.gz WZEBKEYIQOPVPR-UHFFFAOYSA-N 0 0 333.435 4.385 50 0 EIAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)C1CCCC1 ZINC000034912712 212997537 /nfs/dbraw/zinc/99/75/37/212997537.db2.gz XVSVLGUEXULGGO-UHFFFAOYSA-N 0 0 349.434 4.447 50 0 EIAARN Cc1nc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)cs1 ZINC000071748968 215805230 /nfs/dbraw/zinc/80/52/30/215805230.db2.gz KYHQDOACAOJKLP-OAHLLOKOSA-N 0 0 332.444 4.076 50 0 EIAARN CC(C)(C)c1ccccc1NC(=O)COC(=O)/C=C\c1cccs1 ZINC000033504588 212943848 /nfs/dbraw/zinc/94/38/48/212943848.db2.gz GEXJHZHNDDYOHA-KHPPLWFESA-N 0 0 343.448 4.241 50 0 EIAARN Cc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)no1 ZINC000033254160 212910949 /nfs/dbraw/zinc/91/09/49/212910949.db2.gz LKPQSQXASSYMPX-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000071844132 215875731 /nfs/dbraw/zinc/87/57/31/215875731.db2.gz LNOXOANGZHSBNQ-WCQYABFASA-N 0 0 333.863 4.013 50 0 EIAARN Cc1ccc(Nc2nc(C(=O)NCc3ccccc3)cs2)c(C)c1 ZINC000033280729 212914886 /nfs/dbraw/zinc/91/48/86/212914886.db2.gz QFZDGRMXCKWYNT-UHFFFAOYSA-N 0 0 337.448 4.434 50 0 EIAARN CCCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1 ZINC000033261002 212911725 /nfs/dbraw/zinc/91/17/25/212911725.db2.gz RZCWBNKJQKWDSW-UHFFFAOYSA-N 0 0 346.434 4.335 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3cnc4ccccc4c3)on2)cc1 ZINC000033164449 212903295 /nfs/dbraw/zinc/90/32/95/212903295.db2.gz DXXVPFVSRXNLFF-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CN(C(=O)Cc1ccc(-n2cccc2)cc1)c1nc2ccccc2s1 ZINC000033166442 212902727 /nfs/dbraw/zinc/90/27/27/212902727.db2.gz HENYUHFIIYZWOT-UHFFFAOYSA-N 0 0 347.443 4.293 50 0 EIAARN Cc1cc(C(=O)NCCc2ccc(Cl)cc2)c2cccc(C)c2n1 ZINC000033252827 212909375 /nfs/dbraw/zinc/90/93/75/212909375.db2.gz WSYLQGWWVNKAKO-UHFFFAOYSA-N 0 0 338.838 4.478 50 0 EIAARN CCN(CC)c1ncc(C(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000033073309 212895909 /nfs/dbraw/zinc/89/59/09/212895909.db2.gz QNYIGSMRXJCLFI-UHFFFAOYSA-N 0 0 337.398 4.472 50 0 EIAARN CCC(=O)Nc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 ZINC000032961155 212882264 /nfs/dbraw/zinc/88/22/64/212882264.db2.gz FOJLZDGQAISFHT-UHFFFAOYSA-N 0 0 339.420 4.206 50 0 EIAARN Cc1ccc2c(c1)OC=CC(C(=O)Nc1ccc3oc(=O)ccc3c1)=C2 ZINC000033026947 212890641 /nfs/dbraw/zinc/89/06/41/212890641.db2.gz WAUJPKUFNDYDKW-UHFFFAOYSA-N 0 0 345.354 4.030 50 0 EIAARN Cc1sc2ncnc(SCC(=O)N(C)C3CCCCC3)c2c1C ZINC000000422600 209584941 /nfs/dbraw/zinc/58/49/41/209584941.db2.gz MQRMBLZPEFHXRT-UHFFFAOYSA-N 0 0 349.525 4.191 50 0 EIAARN Cc1noc(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000071894102 215932634 /nfs/dbraw/zinc/93/26/34/215932634.db2.gz RMJZIJPGSPGOSP-QWRGUYRKSA-N 0 0 325.195 4.340 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)sc1C ZINC000032865221 212858708 /nfs/dbraw/zinc/85/87/08/212858708.db2.gz DNRIHNQWRLLVQW-HNNXBMFYSA-N 0 0 343.448 4.113 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(Cl)cc1)Nc1cccc2ccccc21 ZINC000032779492 212842153 /nfs/dbraw/zinc/84/21/53/212842153.db2.gz MFGUWBYPDHDEBA-GOSISDBHSA-N 0 0 340.810 4.348 50 0 EIAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccncc1 ZINC000032424405 212802721 /nfs/dbraw/zinc/80/27/21/212802721.db2.gz HMHXMMLHROCOEY-DUXPYHPUSA-N 0 0 326.705 4.406 50 0 EIAARN O=C1C[C@H](c2c(F)cccc2Cl)c2cnn(C3CCCC3)c2N1 ZINC000072117831 216012048 /nfs/dbraw/zinc/01/20/48/216012048.db2.gz NCLHNBZMRHYDRG-NSHDSACASA-N 0 0 333.794 4.265 50 0 EIAARN Fc1cccc(F)c1CC[C@@H]1CCCN(Cc2nnc(C3CC3)o2)C1 ZINC000072119570 216013475 /nfs/dbraw/zinc/01/34/75/216013475.db2.gz ZXKLXUMTDGHMNJ-ZDUSSCGKSA-N 0 0 347.409 4.070 50 0 EIAARN CC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2)c2ccccc12 ZINC000032074446 212785982 /nfs/dbraw/zinc/78/59/82/212785982.db2.gz BTPXLJCEDLJGQP-UHFFFAOYSA-N 0 0 326.783 4.136 50 0 EIAARN C[C@H](O)c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c1 ZINC000072144526 216030675 /nfs/dbraw/zinc/03/06/75/216030675.db2.gz HJVUNWCBIYHENN-AWEZNQCLSA-N 0 0 344.418 4.290 50 0 EIAARN CC(=O)c1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c1 ZINC000072144791 216030858 /nfs/dbraw/zinc/03/08/58/216030858.db2.gz NCAVPXFARJUHPG-UHFFFAOYSA-N 0 0 342.402 4.440 50 0 EIAARN c1cc2c(nc(NCc3cccnc3)cc2-c2nccc3occc32)[nH]1 ZINC000072163442 216051645 /nfs/dbraw/zinc/05/16/45/216051645.db2.gz DOCLQNNSOXAIHU-UHFFFAOYSA-N 0 0 341.374 4.378 50 0 EIAARN CC[C@H](C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1)c1ccccc1 ZINC000072232245 216072887 /nfs/dbraw/zinc/07/28/87/216072887.db2.gz IYASMZHQYJQLQN-SJORKVTESA-N 0 0 341.455 4.093 50 0 EIAARN O=C(NCC[C@@H](O)c1ccco1)c1sc2ccccc2c1Cl ZINC000072242742 216082016 /nfs/dbraw/zinc/08/20/16/216082016.db2.gz WZUPKBGGEOIYFH-LLVKDONJSA-N 0 0 335.812 4.001 50 0 EIAARN COc1ccccc1Oc1ccc(C(=O)NCc2ccc(F)cc2)o1 ZINC000072265335 216087679 /nfs/dbraw/zinc/08/76/79/216087679.db2.gz GLMOCYNZXSJGEM-UHFFFAOYSA-N 0 0 341.338 4.150 50 0 EIAARN CC(C)Oc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000000408125 209573042 /nfs/dbraw/zinc/57/30/42/209573042.db2.gz AYCYEYKFFHUCTI-UHFFFAOYSA-N 0 0 329.787 4.256 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)N(CC)c2cccc(C)c2)cc1 ZINC000000399638 209569953 /nfs/dbraw/zinc/56/99/53/209569953.db2.gz WOVHPHDATONNDM-UHFFFAOYSA-N 0 0 326.396 4.230 50 0 EIAARN CCc1cccc(CC)c1NC(=O)Nc1cc(OC)ccc1OC ZINC000000398135 209568936 /nfs/dbraw/zinc/56/89/36/209568936.db2.gz QNBFTKCQGCIKEV-UHFFFAOYSA-N 0 0 328.412 4.473 50 0 EIAARN Cc1ccc(NC(=O)CCSc2nnc(-c3ccccc3)o2)cc1 ZINC000000386073 209564502 /nfs/dbraw/zinc/56/45/02/209564502.db2.gz XAENNWRAJMTOKF-UHFFFAOYSA-N 0 0 339.420 4.166 50 0 EIAARN O=C(NCc1ccccn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000337650 209540326 /nfs/dbraw/zinc/54/03/26/209540326.db2.gz NHVGRAJLWVINPR-IBGZPJMESA-N 0 0 334.444 4.231 50 0 EIAARN Cc1cccc(C)c1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000000331202 209539098 /nfs/dbraw/zinc/53/90/98/209539098.db2.gz PGEYGODWOONOCB-UHFFFAOYSA-N 0 0 332.856 4.013 50 0 EIAARN CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)/C=C/c1ccccc1 ZINC000000325885 209537320 /nfs/dbraw/zinc/53/73/20/209537320.db2.gz RXSUFAGUYHUDSA-ZRDIBKRKSA-N 0 0 348.402 4.305 50 0 EIAARN Cc1cc(Sc2nnc(-c3ccccc3)n2C)c2ccccc2n1 ZINC000000308994 209528259 /nfs/dbraw/zinc/52/82/59/209528259.db2.gz FNVBZXUVZCLCPN-UHFFFAOYSA-N 0 0 332.432 4.490 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Br)c1 ZINC000000288641 209518547 /nfs/dbraw/zinc/51/85/47/209518547.db2.gz NGANGRQIBYIQOO-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN CC[C@H](NC(=O)CCCCOc1cccc(C)c1)c1ccncc1 ZINC000072295356 216132740 /nfs/dbraw/zinc/13/27/40/216132740.db2.gz GBGAGUZYXOFJHV-IBGZPJMESA-N 0 0 326.440 4.207 50 0 EIAARN COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1OC ZINC000000260823 209508688 /nfs/dbraw/zinc/50/86/88/209508688.db2.gz IESBOTYJWIYFCA-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000000243198 209500647 /nfs/dbraw/zinc/50/06/47/209500647.db2.gz ZKEYMAOJVMETCU-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN Cc1cc(C)c(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)c(C)c1 ZINC000000252285 209504822 /nfs/dbraw/zinc/50/48/22/209504822.db2.gz KLXUBLHRABVYCM-INIZCTEOSA-N 0 0 333.435 4.019 50 0 EIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1 ZINC000000250149 209504160 /nfs/dbraw/zinc/50/41/60/209504160.db2.gz PTQFDKGYODRCCI-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN Cc1ccc(Nc2nnc(-c3cc4ccccc4oc3=O)s2)cc1 ZINC000000244882 209502399 /nfs/dbraw/zinc/50/23/99/209502399.db2.gz SLBSJFFNQAGRKW-UHFFFAOYSA-N 0 0 335.388 4.364 50 0 EIAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Cl)cc1C ZINC000072329817 216153311 /nfs/dbraw/zinc/15/33/11/216153311.db2.gz UEDMQQBLVFBLAZ-UHFFFAOYSA-N 0 0 349.814 4.477 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)C1CCN(c2nccs2)CC1 ZINC000072318953 216148825 /nfs/dbraw/zinc/14/88/25/216148825.db2.gz VONNPDNNWRCXMT-UHFFFAOYSA-N 0 0 343.496 4.430 50 0 EIAARN CSc1ccc([C@@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 ZINC000000221970 209494221 /nfs/dbraw/zinc/49/42/21/209494221.db2.gz XIRDQZVOWARVPD-KBPBESRZSA-N 0 0 328.466 4.208 50 0 EIAARN COc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000000186419 209472055 /nfs/dbraw/zinc/47/20/55/209472055.db2.gz NZDWVHYJDTVHRA-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Clc1c(CSc2nc3ccccc3s2)nc2ncccn12 ZINC000000151946 209455444 /nfs/dbraw/zinc/45/54/44/209455444.db2.gz LGWFUVKQMPMQFZ-UHFFFAOYSA-N 0 0 332.841 4.285 50 0 EIAARN Cc1cc(NC(=O)CCCc2cn(C(C)C)c3ccccc23)nn1C ZINC000072405092 216195536 /nfs/dbraw/zinc/19/55/36/216195536.db2.gz LNFHEEPDWIEIQQ-UHFFFAOYSA-N 0 0 338.455 4.226 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2F)c2cnn(Cc3cccs3)c2N1 ZINC000072404773 216195630 /nfs/dbraw/zinc/19/56/30/216195630.db2.gz QLVJFMVDUALHGU-CYBMUJFWSA-N 0 0 345.374 4.395 50 0 EIAARN O=C(CCn1ccc2ccccc21)Nc1nc(-c2ccncc2)cs1 ZINC000072404102 216196217 /nfs/dbraw/zinc/19/62/17/216196217.db2.gz RXBCBGNUEACGRG-UHFFFAOYSA-N 0 0 348.431 4.189 50 0 EIAARN Cc1cnc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)s1 ZINC000072401515 216194189 /nfs/dbraw/zinc/19/41/89/216194189.db2.gz NJWVKKZFITYJMI-UHFFFAOYSA-N 0 0 326.425 4.013 50 0 EIAARN Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc4c3ccn4C)c12 ZINC000072401579 216194222 /nfs/dbraw/zinc/19/42/22/216194222.db2.gz GKDRKTXRSIHBCH-UHFFFAOYSA-N 0 0 348.406 4.399 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)OC(=O)C2 ZINC000000099914 209420601 /nfs/dbraw/zinc/42/06/01/209420601.db2.gz FBZKRLMXKDYDIW-IBGZPJMESA-N 0 0 346.810 4.326 50 0 biogenic EIAARN CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000000110830 209427399 /nfs/dbraw/zinc/42/73/99/209427399.db2.gz UVRJQTZXCTVUQI-FZMZJTMJSA-N 0 0 343.398 4.330 50 0 EIAARN CC(C)NC(=O)c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000000076467 209403363 /nfs/dbraw/zinc/40/33/63/209403363.db2.gz MMSJDAUAXNQMKV-UHFFFAOYSA-N 0 0 342.464 4.017 50 0 EIAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000028250431 212612040 /nfs/dbraw/zinc/61/20/40/212612040.db2.gz RVDVFURWSDVVJH-NSHDSACASA-N 0 0 345.468 4.119 50 0 EIAARN c1coc(-c2nnc(SCc3ccncc3)n2-c2ccccc2)c1 ZINC000000090807 209414261 /nfs/dbraw/zinc/41/42/61/209414261.db2.gz GEJJPSVVUSHNMK-UHFFFAOYSA-N 0 0 334.404 4.215 50 0 EIAARN CSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)Nc1ccccc1-2 ZINC000000086656 209411314 /nfs/dbraw/zinc/41/13/14/209411314.db2.gz LQOCHDSDUKJFDW-AWEZNQCLSA-N 0 0 342.449 4.134 50 0 EIAARN CCOc1ccc([C@@H]2CC(=O)Nc3ccccc3S2)cc1OC ZINC000000086477 209410564 /nfs/dbraw/zinc/41/05/64/209410564.db2.gz VMQVXAYVHQPQLE-KRWDZBQOSA-N 0 0 329.421 4.270 50 0 EIAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072426880 216217212 /nfs/dbraw/zinc/21/72/12/216217212.db2.gz YMRZJQFRBDBSCD-OAHLLOKOSA-N 0 0 343.442 4.362 50 0 EIAARN COc1ccccc1NC(=S)NCc1csc2ccccc12 ZINC000000069414 209399306 /nfs/dbraw/zinc/39/93/06/209399306.db2.gz IBBXXOUSSOGKGV-UHFFFAOYSA-N 0 0 328.462 4.397 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000067532 209398317 /nfs/dbraw/zinc/39/83/17/209398317.db2.gz ZZMBHRGBYQHDRS-UHFFFAOYSA-N 0 0 327.387 4.411 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1ccc(Cl)c(Cl)c1 ZINC000000066664 209396978 /nfs/dbraw/zinc/39/69/78/209396978.db2.gz ZOTLNCONSVHCOH-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN O=C(Nc1nccs1)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000051060 209390914 /nfs/dbraw/zinc/39/09/14/209390914.db2.gz WEUPVNXYXSAVCD-ADKAHSJRSA-N 0 0 332.428 4.379 50 0 EIAARN CC(C)(C)c1nc(CSc2nc(-c3ccc(F)cc3)c[nH]2)no1 ZINC000028014669 212595175 /nfs/dbraw/zinc/59/51/75/212595175.db2.gz YGBKBYVHAQBDMD-UHFFFAOYSA-N 0 0 332.404 4.189 50 0 EIAARN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000028043315 212597849 /nfs/dbraw/zinc/59/78/49/212597849.db2.gz GYSDVZFNTDQCHB-INIZCTEOSA-N 0 0 339.819 4.005 50 0 EIAARN C/C=C(\C)C[NH+]1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000072435124 216229984 /nfs/dbraw/zinc/22/99/84/216229984.db2.gz IBQAKJWPCSEKME-HQYXKAPLSA-N 0 0 339.435 4.104 50 0 EIAARN CCN(Cc1ccccc1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072436126 216231420 /nfs/dbraw/zinc/23/14/20/216231420.db2.gz GNHIDCASQLHDAM-UHFFFAOYSA-N 0 0 325.452 4.052 50 0 EIAARN c1[nH]c2ccccc2c1CCNc1ccc(-c2nc(C3CC3)no2)cn1 ZINC000072453514 216240960 /nfs/dbraw/zinc/24/09/60/216240960.db2.gz PDEUGFTWOJECIR-UHFFFAOYSA-N 0 0 345.406 4.145 50 0 EIAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)Cc1c[nH]c2ccccc12 ZINC000072476068 216254838 /nfs/dbraw/zinc/25/48/38/216254838.db2.gz AIIYOOBUYXJYLJ-UHFFFAOYSA-N 0 0 345.402 4.024 50 0 EIAARN C[C@H](NC(=O)NCCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000026523915 212524101 /nfs/dbraw/zinc/52/41/01/212524101.db2.gz LEOJIAHDEONNKR-NSHDSACASA-N 0 0 342.386 4.370 50 0 EIAARN CC(C)CCCNC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000026391880 212517819 /nfs/dbraw/zinc/51/78/19/212517819.db2.gz VMLWGECHUAOYPU-GFCCVEGCSA-N 0 0 327.266 4.246 50 0 EIAARN COCc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1Cl ZINC000026390821 212517722 /nfs/dbraw/zinc/51/77/22/212517722.db2.gz YUAHIUBDEFCTFQ-ZDUSSCGKSA-N 0 0 332.831 4.047 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cnc21 ZINC000025995150 212504629 /nfs/dbraw/zinc/50/46/29/212504629.db2.gz BTFIHOWTGMEPDX-HDMKZQKVSA-N 0 0 340.471 4.101 50 0 EIAARN O=C(Nc1nc2c(s1)CCC2)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000025767421 212497749 /nfs/dbraw/zinc/49/77/49/212497749.db2.gz SPEMEANBXPBDSC-UHFFFAOYSA-N 0 0 337.448 4.244 50 0 EIAARN COc1ccc(CN(C(=O)c2ccc(C)cc2C)C2CC2)c(OC)c1 ZINC000025760955 212495952 /nfs/dbraw/zinc/49/59/52/212495952.db2.gz ARMJLPXKCPQDEK-UHFFFAOYSA-N 0 0 339.435 4.125 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1F ZINC000025451247 212481963 /nfs/dbraw/zinc/48/19/63/212481963.db2.gz DICRRPGEUHGNAM-SNVBAGLBSA-N 0 0 341.304 4.344 50 0 EIAARN O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)[C@H]1CCCO1 ZINC000025301888 212471953 /nfs/dbraw/zinc/47/19/53/212471953.db2.gz VLDZGHMUIGGYSA-QGZVFWFLSA-N 0 0 349.789 4.176 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)cnn1-c1cccc(C)c1 ZINC000024769008 212439060 /nfs/dbraw/zinc/43/90/60/212439060.db2.gz QUYQHQJSANVJIA-AWEZNQCLSA-N 0 0 337.398 4.119 50 0 EIAARN CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(OC)cc1 ZINC000024595423 212428322 /nfs/dbraw/zinc/42/83/22/212428322.db2.gz QHZUCDXZXTWNQQ-KXBFYZLASA-N 0 0 327.424 4.038 50 0 EIAARN c1coc(-c2nc(CSc3nnc(C4CCCCC4)o3)no2)c1 ZINC000024046347 212406677 /nfs/dbraw/zinc/40/66/77/212406677.db2.gz YWQGVTPGJAPDOR-UHFFFAOYSA-N 0 0 332.385 4.053 50 0 EIAARN O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1Cl ZINC000023889605 212398611 /nfs/dbraw/zinc/39/86/11/212398611.db2.gz KLSYWKIVONBWME-UHFFFAOYSA-N 0 0 332.190 4.431 50 0 EIAARN Cc1ccc([C@@H](NC(=O)[C@@H]2CC2(Cl)Cl)c2ccccc2)cc1 ZINC000023683814 212390337 /nfs/dbraw/zinc/39/03/37/212390337.db2.gz LZMLYMKRCLFSMF-HOTGVXAUSA-N 0 0 334.246 4.394 50 0 EIAARN CC(=O)NCc1ccc(-c2csc(Nc3cc(C)cc(C)c3)n2)o1 ZINC000023386412 212374207 /nfs/dbraw/zinc/37/42/07/212374207.db2.gz MNEHUUHEKSNIQJ-UHFFFAOYSA-N 0 0 341.436 4.400 50 0 EIAARN CCCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000023154273 212356973 /nfs/dbraw/zinc/35/69/73/212356973.db2.gz ITWUFOOHZOTECL-LJQANCHMSA-N 0 0 349.478 4.282 50 0 EIAARN Fc1ccc(-n2cc(-c3ccnc(NCc4ccccc4)n3)cn2)cc1 ZINC000023250504 212364310 /nfs/dbraw/zinc/36/43/10/212364310.db2.gz NORSEWXEEDOCRD-UHFFFAOYSA-N 0 0 345.381 4.081 50 0 EIAARN CSCc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000023244541 212363407 /nfs/dbraw/zinc/36/34/07/212363407.db2.gz BVARPPAGJPVQDR-UHFFFAOYSA-N 0 0 337.391 4.081 50 0 EIAARN O=C(NCC1(c2cccs2)CCCCC1)c1ccc2c(c1)OCO2 ZINC000023237162 212362329 /nfs/dbraw/zinc/36/23/29/212362329.db2.gz DCOAYSOOIZKHCG-UHFFFAOYSA-N 0 0 343.448 4.109 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)sc1C ZINC000023201244 212359591 /nfs/dbraw/zinc/35/95/91/212359591.db2.gz FWNAUORZVKEFMW-UHFFFAOYSA-N 0 0 340.404 4.463 50 0 EIAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc2ccccc2n1 ZINC000023175336 212358135 /nfs/dbraw/zinc/35/81/35/212358135.db2.gz HUKYAHKUBJIQDA-FQEVSTJZSA-N 0 0 333.435 4.331 50 0 EIAARN Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000023113967 212348481 /nfs/dbraw/zinc/34/84/81/212348481.db2.gz IGXRSOSDGCCFQV-CHWSQXEVSA-N 0 0 326.362 4.061 50 0 EIAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1ccncc1 ZINC000023144230 212355565 /nfs/dbraw/zinc/35/55/65/212355565.db2.gz RKBPPLIRFGUQQQ-UHFFFAOYSA-N 0 0 342.402 4.045 50 0 EIAARN FC(F)(F)c1ccc(-c2n[nH]c3c2CN(Cc2ccoc2)CC3)cc1 ZINC000023129424 212352555 /nfs/dbraw/zinc/35/25/55/212352555.db2.gz VZKWARQYNYGFEL-UHFFFAOYSA-N 0 0 347.340 4.247 50 0 EIAARN O=C(Nc1ccccc1N1CCCCCC1)c1ccc(Cl)nc1 ZINC000022829016 212326521 /nfs/dbraw/zinc/32/65/21/212326521.db2.gz SCTQWVUHRVSXGN-UHFFFAOYSA-N 0 0 329.831 4.368 50 0 EIAARN CCCCC[C@@H](C)NC(=O)c1ccccc1SCc1nc(C)no1 ZINC000022884067 212331747 /nfs/dbraw/zinc/33/17/47/212331747.db2.gz RJRSZLZBUVZHJF-CYBMUJFWSA-N 0 0 347.484 4.369 50 0 EIAARN CCOc1ccc(-c2cc(=O)n(Cc3ccccc3Cl)cn2)cc1 ZINC000022605301 212309958 /nfs/dbraw/zinc/30/99/58/212309958.db2.gz OMNKUUGMWCNLBG-UHFFFAOYSA-N 0 0 340.810 4.011 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1Cl ZINC000022603476 212309477 /nfs/dbraw/zinc/30/94/77/212309477.db2.gz FUKXMHMSDHJOEU-LSDHHAIUSA-N 0 0 346.789 4.180 50 0 EIAARN Cc1cccc(Cc2cnc(NC(=O)c3cc(Cl)ccn3)s2)c1 ZINC000022586582 212308640 /nfs/dbraw/zinc/30/86/40/212308640.db2.gz PNDKJTBYAVLJNI-UHFFFAOYSA-N 0 0 343.839 4.343 50 0 EIAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCc1cccnc1 ZINC000022662456 212316614 /nfs/dbraw/zinc/31/66/14/212316614.db2.gz YZTWAJRATFEWDG-UHFFFAOYSA-N 0 0 349.434 4.273 50 0 EIAARN COc1ccc(Cc2nc(CSc3nnc(C)s3)cs2)cc1 ZINC000022674533 212316368 /nfs/dbraw/zinc/31/63/68/212316368.db2.gz VBHLDGOCZGOMNW-UHFFFAOYSA-N 0 0 349.506 4.195 50 0 EIAARN Cc1noc(-c2cccc(F)c2)c1C(=O)NCc1ccccc1Cl ZINC000022659707 212315021 /nfs/dbraw/zinc/31/50/21/212315021.db2.gz AMBRYVWZONOJKL-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN Cc1noc(-c2cccs2)c1C(=O)NCCCCc1ccccc1 ZINC000022647129 212314827 /nfs/dbraw/zinc/31/48/27/212314827.db2.gz QKCAGMQKRCKXJO-UHFFFAOYSA-N 0 0 340.448 4.464 50 0 EIAARN CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1Cc1ccccc1-2 ZINC000022639037 212313159 /nfs/dbraw/zinc/31/31/59/212313159.db2.gz DTCXOXVIRDNJKL-UHFFFAOYSA-N 0 0 343.448 4.481 50 0 EIAARN CC(C)N(C(=O)c1cnc(-c2ccsc2)s1)c1cccnc1 ZINC000075137325 216575645 /nfs/dbraw/zinc/57/56/45/216575645.db2.gz UTJOMYKSXIBYHF-UHFFFAOYSA-N 0 0 329.450 4.322 50 0 EIAARN CC(C)(C)C(=O)Nc1ccccc1-c1nc(Cc2ccccc2)no1 ZINC000022463018 212299895 /nfs/dbraw/zinc/29/98/95/212299895.db2.gz AGXATXUIAUSVHW-UHFFFAOYSA-N 0 0 335.407 4.312 50 0 EIAARN O=C(NCc1cccc2ccccc21)Nc1ccc2c(c1)CCC(=O)N2 ZINC000022507043 212301884 /nfs/dbraw/zinc/30/18/84/212301884.db2.gz HRPJPECWSSTHGO-UHFFFAOYSA-N 0 0 345.402 4.046 50 0 EIAARN CCOc1ccc2cc(C(=O)c3[nH]c(C)c(C(C)=O)c3C)oc2c1 ZINC000022452675 212298105 /nfs/dbraw/zinc/29/81/05/212298105.db2.gz IYWFJAUDISCLMI-UHFFFAOYSA-N 0 0 325.364 4.210 50 0 EIAARN O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccncc1 ZINC000022464352 212299022 /nfs/dbraw/zinc/29/90/22/212299022.db2.gz HBRGWMZADGEQDI-UHFFFAOYSA-N 0 0 348.387 4.112 50 0 EIAARN CC[C@H](COC)NC(=O)c1c(C)noc1-c1ccc(C(C)(C)C)cc1 ZINC000022345705 212293224 /nfs/dbraw/zinc/29/32/24/212293224.db2.gz TYNLMEBDVCGCTO-MRXNPFEDSA-N 0 0 344.455 4.102 50 0 EIAARN C[C@@H](NC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccccc1 ZINC000022314063 212288394 /nfs/dbraw/zinc/28/83/94/212288394.db2.gz WBGKAEFJBQWHLK-CYBMUJFWSA-N 0 0 337.341 4.257 50 0 EIAARN Cc1cccc([C@H]2N(c3cccc(Cl)c3)C(=O)[C@@H]3CCCN23)c1 ZINC000075402989 216615621 /nfs/dbraw/zinc/61/56/21/216615621.db2.gz JLTLPYFRZKCSCX-ZWKOTPCHSA-N 0 0 326.827 4.158 50 0 EIAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)Nc1ccccc1 ZINC000211085093 241077028 /nfs/dbraw/zinc/07/70/28/241077028.db2.gz VWTJUPNEZONEJL-UHFFFAOYSA-N 0 0 342.445 4.362 50 0 EIAARN Cc1cc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)o1 ZINC000211083467 241077658 /nfs/dbraw/zinc/07/76/58/241077658.db2.gz UTHNTEQLXBLTJG-UHFFFAOYSA-N 0 0 345.445 4.180 50 0 EIAARN Cc1nc2ccccc2nc1CN1CCC[C@H]1c1cc(C(C)C)on1 ZINC000215016688 241101753 /nfs/dbraw/zinc/10/17/53/241101753.db2.gz HZMPTBXXNRJTML-IBGZPJMESA-N 0 0 336.439 4.387 50 0 EIAARN Cc1ncsc1CCN(C)C(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000215108788 241104978 /nfs/dbraw/zinc/10/49/78/241104978.db2.gz QCQFHACBHAXFTQ-LJQANCHMSA-N 0 0 342.508 4.426 50 0 EIAARN CC[C@H](C(=O)NC[C@@H](OC)c1ccccc1Cl)c1ccccc1 ZINC000206849789 241054580 /nfs/dbraw/zinc/05/45/80/241054580.db2.gz ZEGAVYWLAAXUGM-MAUKXSAKSA-N 0 0 331.843 4.338 50 0 EIAARN Cc1nc(C)c(C(=O)Nc2ccccc2-c2cn3ccccc3n2)s1 ZINC000206897249 241055411 /nfs/dbraw/zinc/05/54/11/241055411.db2.gz OBVGVWBVUBNQAO-UHFFFAOYSA-N 0 0 348.431 4.327 50 0 EIAARN O=C(c1c[nH]c2ccccc12)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208040577 241065923 /nfs/dbraw/zinc/06/59/23/241065923.db2.gz UCLIZARLNJFOSE-LJQANCHMSA-N 0 0 336.460 4.488 50 0 EIAARN Cn1nc(CN2CCC[C@@H]2c2nccs2)c2c1cccc2Cl ZINC000216359580 241186259 /nfs/dbraw/zinc/18/62/59/241186259.db2.gz UMLJACAVDMJOCQ-CQSZACIVSA-N 0 0 332.860 4.020 50 0 EIAARN O=C(c1nc2ccccn2c1F)N(Cc1ccsc1)C1CCCC1 ZINC000215368124 241123249 /nfs/dbraw/zinc/12/32/49/241123249.db2.gz PTUXXWOVPBGVQG-UHFFFAOYSA-N 0 0 343.427 4.120 50 0 EIAARN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1Cl)NCC2 ZINC000022018362 212271359 /nfs/dbraw/zinc/27/13/59/212271359.db2.gz 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CC(C)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000020644797 212159200 /nfs/dbraw/zinc/15/92/00/212159200.db2.gz VHEUKPZADIHMLQ-UHFFFAOYSA-N 0 0 336.420 4.171 50 0 EIAARN COC(=O)c1cc(C)sc1NC(=O)c1cc2c(s1)CCCC2 ZINC000020606437 212153755 /nfs/dbraw/zinc/15/37/55/212153755.db2.gz STDCFFKIBJDIPP-UHFFFAOYSA-N 0 0 335.450 4.036 50 0 EIAARN CCc1cc(C(=O)Nc2ccc(Br)cc2F)cs1 ZINC000020607056 212153474 /nfs/dbraw/zinc/15/34/74/212153474.db2.gz DORJRBWHZLKSMM-UHFFFAOYSA-N 0 0 328.206 4.464 50 0 EIAARN Cc1nc(-c2ccccc2)sc1CCNC(=O)C1CCCCC1 ZINC000020605481 212152977 /nfs/dbraw/zinc/15/29/77/212152977.db2.gz LPEBUQBDKNASPO-UHFFFAOYSA-N 0 0 328.481 4.358 50 0 EIAARN CC(C)CN1C[C@H](c2nc(-c3cccc4ccccc43)c[nH]2)CC1=O ZINC000020599363 212150893 /nfs/dbraw/zinc/15/08/93/212150893.db2.gz WKGONWRQSCQLMO-MRXNPFEDSA-N 0 0 333.435 4.202 50 0 EIAARN CC(=O)Nc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)ccc1F ZINC000076511080 216784092 /nfs/dbraw/zinc/78/40/92/216784092.db2.gz CJOQTKVSSPICHR-KRWDZBQOSA-N 0 0 344.386 4.135 50 0 EIAARN CC(C)Oc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000020550022 212146786 /nfs/dbraw/zinc/14/67/86/212146786.db2.gz NQPIXPGJMUGEFZ-UHFFFAOYSA-N 0 0 341.436 4.081 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3cccc(Cl)c3)c1CO2 ZINC000020509767 212141333 /nfs/dbraw/zinc/14/13/33/212141333.db2.gz QIKZAPFRMSDZRL-UHFFFAOYSA-N 0 0 340.766 4.448 50 0 EIAARN Cc1nc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)c(C)s1 ZINC000252478875 243761471 /nfs/dbraw/zinc/76/14/71/243761471.db2.gz AWNKGDLZVDFBID-OAHLLOKOSA-N 0 0 342.468 4.153 50 0 EIAARN CCCc1nnc(SCC(=O)c2cccc(Cl)c2Cl)o1 ZINC000252485635 243783347 /nfs/dbraw/zinc/78/33/47/243783347.db2.gz HASOQRANTSZDPV-UHFFFAOYSA-N 0 0 331.224 4.304 50 0 EIAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)c1cc2ccccc2[nH]1 ZINC000253403313 243910158 /nfs/dbraw/zinc/91/01/58/243910158.db2.gz HBUAVCISAIJFAY-GOSISDBHSA-N 0 0 329.403 4.457 50 0 EIAARN Cc1cccc(N(C)C(=O)c2nn(C)c3c2CSc2ccccc2-3)c1 ZINC000020485093 212137455 /nfs/dbraw/zinc/13/74/55/212137455.db2.gz QGMDJPYUYRFZES-UHFFFAOYSA-N 0 0 349.459 4.278 50 0 EIAARN O=C(Nc1ccc(F)cc1Cl)c1noc2c1COc1ccccc1-2 ZINC000020484580 212137502 /nfs/dbraw/zinc/13/75/02/212137502.db2.gz XCXYZGMXGZTKFX-UHFFFAOYSA-N 0 0 344.729 4.279 50 0 EIAARN C=C1C(Nc2cccc(C)c2C)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020465419 212134466 /nfs/dbraw/zinc/13/44/66/212134466.db2.gz ZQJMIIQFVXTWNO-UHFFFAOYSA-N 0 0 340.448 4.197 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)Nc1ccc(Cl)cc1F ZINC000020435919 212129275 /nfs/dbraw/zinc/12/92/75/212129275.db2.gz GDMAZAGBCASNCO-UHFFFAOYSA-N 0 0 325.796 4.458 50 0 EIAARN COc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000020437320 212129324 /nfs/dbraw/zinc/12/93/24/212129324.db2.gz WCHHNJDQEXJQCX-FQEVSTJZSA-N 0 0 345.402 4.170 50 0 EIAARN O=C(Nc1ccc(Br)cn1)Nc1ccc(Cl)cc1F ZINC000020435913 212128614 /nfs/dbraw/zinc/12/86/14/212128614.db2.gz GRVITHSZVBMHEN-UHFFFAOYSA-N 0 0 344.571 4.281 50 0 EIAARN O=C(Nc1ccc(F)cc1Br)c1cc(F)ccc1F ZINC000020430194 212128335 /nfs/dbraw/zinc/12/83/35/212128335.db2.gz NHNZWTFMJBHYPE-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN O=C(c1ccccc1-c1ncc[nH]1)N(Cc1ccco1)Cc1ccco1 ZINC000020203317 212111355 /nfs/dbraw/zinc/11/13/55/212111355.db2.gz KWERMNBNSYWWQA-UHFFFAOYSA-N 0 0 347.374 4.105 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000020112919 212103543 /nfs/dbraw/zinc/10/35/43/212103543.db2.gz KAYPIRSMVSFSKF-UHFFFAOYSA-N 0 0 336.435 4.119 50 0 EIAARN C[C@@H]1CCCN([C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000020108388 212101414 /nfs/dbraw/zinc/10/14/14/212101414.db2.gz SACHTOPZGFUHHW-RDTXWAMCSA-N 0 0 334.891 4.172 50 0 EIAARN COC(=O)c1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000020096523 212100577 /nfs/dbraw/zinc/10/05/77/212100577.db2.gz OXQYECFFCWVVTE-UHFFFAOYSA-N 0 0 337.419 4.232 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2cc(C)nc3c(C)cc(C)cc23)no1 ZINC000077355435 216879963 /nfs/dbraw/zinc/87/99/63/216879963.db2.gz IDDQCBJOHORKLY-LJQANCHMSA-N 0 0 349.434 4.434 50 0 EIAARN O=C(Nc1ccc(Cl)cc1C(=O)NC1CCCCC1)c1ccco1 ZINC000019908746 212083007 /nfs/dbraw/zinc/08/30/07/212083007.db2.gz OQTBRUCFLHEQLI-UHFFFAOYSA-N 0 0 346.814 4.248 50 0 EIAARN S=C1SCN(CCc2ccccc2)CN1CCc1ccccc1 ZINC000019909108 212082393 /nfs/dbraw/zinc/08/23/93/212082393.db2.gz NYQTVLZGKQXVIT-UHFFFAOYSA-N 0 0 342.533 4.023 50 0 EIAARN Clc1ccc2c(c1)c1cc(Cl)ccc1n2CN1CCOCC1 ZINC000019861802 212077170 /nfs/dbraw/zinc/07/71/70/212077170.db2.gz RDTNUOVFSGNLIP-UHFFFAOYSA-N 0 0 335.234 4.391 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1cccnc1NCCc1ccccc1 ZINC000019856996 212076717 /nfs/dbraw/zinc/07/67/17/212076717.db2.gz XJZHGXBYPSICFK-UHFFFAOYSA-N 0 0 335.382 4.128 50 0 EIAARN CCCn1cc(Cn2ccnc2-c2c(F)ccc(Cl)c2F)cn1 ZINC000077458010 216909717 /nfs/dbraw/zinc/90/97/17/216909717.db2.gz SZRRLRKMULVWAV-UHFFFAOYSA-N 0 0 336.773 4.137 50 0 EIAARN Cc1ccc(CN2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000019842005 212075589 /nfs/dbraw/zinc/07/55/89/212075589.db2.gz ASGIRKYLSSSJHE-UHFFFAOYSA-N 0 0 344.458 4.106 50 0 EIAARN Cc1nc(CN2CCC(c3n[nH]cc3-c3ccccc3C)CC2)co1 ZINC000077439552 216904691 /nfs/dbraw/zinc/90/46/91/216904691.db2.gz HCJHALTZEOGRDC-UHFFFAOYSA-N 0 0 336.439 4.061 50 0 EIAARN Cc1cccc(CN2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000019831799 212073301 /nfs/dbraw/zinc/07/33/01/212073301.db2.gz ZVTJTYCVECEWJS-UHFFFAOYSA-N 0 0 344.458 4.106 50 0 EIAARN CC[C@@H](C)[C@H](c1nc(C(C)(C)C)no1)N1Cc2ccccc2C1=O ZINC000019794381 212068989 /nfs/dbraw/zinc/06/89/89/212068989.db2.gz UHEVAIAAMLCHAK-IUODEOHRSA-N 0 0 327.428 4.110 50 0 EIAARN Fc1cc(Br)cc(OCCOCc2ccccc2)c1 ZINC000261493860 244594316 /nfs/dbraw/zinc/59/43/16/244594316.db2.gz KWEPTJKFHZFIIV-UHFFFAOYSA-N 0 0 325.177 4.184 50 0 EIAARN CCOC(=O)c1sc2cc(C(F)(F)F)cnc2c1-n1cccc1 ZINC000261494787 244594437 /nfs/dbraw/zinc/59/44/37/244594437.db2.gz GUENOBHHDDRCEE-UHFFFAOYSA-N 0 0 340.326 4.283 50 0 EIAARN CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)n(C)n1 ZINC000077565560 216938110 /nfs/dbraw/zinc/93/81/10/216938110.db2.gz BCWOEDMZIQMFKC-GOSISDBHSA-N 0 0 343.446 4.125 50 0 EIAARN CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1OC ZINC000019736732 212059658 /nfs/dbraw/zinc/05/96/58/212059658.db2.gz BODINHZYVUDJBE-KGLIPLIRSA-N 0 0 342.439 4.197 50 0 EIAARN Cc1ncsc1Cn1ccc(-c2cccc(-c3ccc(C)nn3)c2)n1 ZINC000019300673 212014384 /nfs/dbraw/zinc/01/43/84/212014384.db2.gz BLURKGVFNPYIBC-UHFFFAOYSA-N 0 0 347.447 4.129 50 0 EIAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 ZINC000019315285 212014280 /nfs/dbraw/zinc/01/42/80/212014280.db2.gz VJFYEDULTCLIMT-SFHVURJKSA-N 0 0 340.423 4.089 50 0 EIAARN CC12CN3CC(C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2 ZINC000019320199 212015300 /nfs/dbraw/zinc/01/53/00/212015300.db2.gz YRAWKOXBZUEKEN-UHFFFAOYSA-N 0 0 348.490 4.312 50 0 biogenic EIAARN CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000046970230 213821574 /nfs/dbraw/zinc/82/15/74/213821574.db2.gz GAWHCOUFWOZLCH-HZPDHXFCSA-N 0 0 326.440 4.274 50 0 EIAARN N[C@@H](CC(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000019300389 212013830 /nfs/dbraw/zinc/01/38/30/212013830.db2.gz XKORDZUSKUKORP-VIFPVBQESA-N 0 0 335.445 4.264 50 0 EIAARN Cc1ccccc1[C@H]1CCN(C(=O)c2ccccc2-c2cncnc2)C1 ZINC000078101588 217022204 /nfs/dbraw/zinc/02/22/04/217022204.db2.gz YLTATYUCUYBXOY-KRWDZBQOSA-N 0 0 343.430 4.082 50 0 EIAARN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)Cc3cc(C)ccc3C)nc2c1 ZINC000078462731 217057105 /nfs/dbraw/zinc/05/71/05/217057105.db2.gz OSRKCWCRCVRKDG-HXUWFJFHSA-N 0 0 347.462 4.394 50 0 EIAARN C[C@H]1C[C@H](c2ccccc2F)N(c2nccc(C(F)(F)F)n2)C1 ZINC000078503116 217064936 /nfs/dbraw/zinc/06/49/36/217064936.db2.gz YFUCARQGLFTVRO-GXFFZTMASA-N 0 0 325.309 4.222 50 0 EIAARN CC(C)c1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)n[nH]1 ZINC000078480609 217060121 /nfs/dbraw/zinc/06/01/21/217060121.db2.gz NRGAKLOTHARUCJ-GOSISDBHSA-N 0 0 327.428 4.172 50 0 EIAARN O=S(=O)(C[C@@H]1CCCCO1)Oc1ccc(C2CCCCC2)cc1 ZINC000078583728 217080290 /nfs/dbraw/zinc/08/02/90/217080290.db2.gz NPTRQHFHJTWECG-SFHVURJKSA-N 0 0 338.469 4.012 50 0 EIAARN C[C@H](Nc1ncc(Br)cn1)c1cccc(C(F)(F)F)c1 ZINC000078582888 217080346 /nfs/dbraw/zinc/08/03/46/217080346.db2.gz NVLIMYKJHOHRSD-QMMMGPOBSA-N 0 0 346.150 4.431 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)Nc1ccc2c(c1)OCO2 ZINC000017072498 211954819 /nfs/dbraw/zinc/95/48/19/211954819.db2.gz NSMCAMGACJMASZ-UHFFFAOYSA-N 0 0 349.184 4.130 50 0 EIAARN CC[C@@H]1CCCCN1C(=S)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000017067846 211949292 /nfs/dbraw/zinc/94/92/92/211949292.db2.gz NHQWWOZGKYMEMX-CQSZACIVSA-N 0 0 330.453 4.063 50 0 EIAARN C[C@@H]1CCC[C@@H](C)N1C(=S)Nc1ccc(Br)cc1 ZINC000017066934 211948775 /nfs/dbraw/zinc/94/87/75/211948775.db2.gz WAROPAWZKNHESM-GHMZBOCLSA-N 0 0 327.291 4.409 50 0 EIAARN CC(C)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)o2)c(C(C)C)c1 ZINC000078808607 217126252 /nfs/dbraw/zinc/12/62/52/217126252.db2.gz XBZJPDAZSBTYCE-UHFFFAOYSA-N 0 0 349.452 4.182 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2)n(-c2nc3ccccc3s2)n1 ZINC000016850992 211938317 /nfs/dbraw/zinc/93/83/17/211938317.db2.gz GPUSIMRDMAIZOB-UHFFFAOYSA-N 0 0 334.404 4.043 50 0 EIAARN CSc1ccc(NC(=O)c2ncoc2[C@H]2CCCO2)cc1Cl ZINC000078985968 217165142 /nfs/dbraw/zinc/16/51/42/217165142.db2.gz XPGTUAVFZSDTHN-LLVKDONJSA-N 0 0 338.816 4.154 50 0 EIAARN CCCCOc1ccc(NC(=O)N2CCC[C@H](COC)C2)c(C)c1 ZINC000079101412 217193116 /nfs/dbraw/zinc/19/31/16/217193116.db2.gz YSYFTSDHCAOICT-INIZCTEOSA-N 0 0 334.460 4.064 50 0 EIAARN CN(c1nc(CSc2nnc(-c3ccccc3)o2)cs1)C1CC1 ZINC000079105102 217193816 /nfs/dbraw/zinc/19/38/16/217193816.db2.gz VISBKBVVOFRWJM-UHFFFAOYSA-N 0 0 344.465 4.084 50 0 EIAARN Cc1cccc(Cn2cc(C(=O)Nc3cccc(C)c3C)ccc2=O)c1 ZINC000015883086 211867229 /nfs/dbraw/zinc/86/72/29/211867229.db2.gz SBZYRRXKYLBEKW-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN CC(C)n1cc(CCCC(=O)NCCc2ccccn2)c2ccccc21 ZINC000079479389 217230267 /nfs/dbraw/zinc/23/02/67/217230267.db2.gz PRBNMAUNMJYVQE-UHFFFAOYSA-N 0 0 349.478 4.299 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc3[nH]c(C4CC4)nc3c2)cc1 ZINC000079501451 217235298 /nfs/dbraw/zinc/23/52/98/217235298.db2.gz KSCGCZDDRLUVNV-UHFFFAOYSA-N 0 0 335.407 4.020 50 0 EIAARN Cc1cc(O[C@H](C)C(=O)Nc2ccc3nsnc3c2)ccc1Cl ZINC000015841247 211860398 /nfs/dbraw/zinc/86/03/98/211860398.db2.gz MNTKNVBJTUEXON-SNVBAGLBSA-N 0 0 347.827 4.059 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)NCc1csc(-c2ccccc2)n1 ZINC000015832423 211858213 /nfs/dbraw/zinc/85/82/13/211858213.db2.gz CUZBQANPUYIARS-UHFFFAOYSA-N 0 0 342.851 4.322 50 0 EIAARN CCOC(=O)c1c(C)oc2nc(C)nc(Nc3ccc(C)c(C)c3)c21 ZINC000015727460 211844927 /nfs/dbraw/zinc/84/49/27/211844927.db2.gz HKCYKLBZLUVRSA-UHFFFAOYSA-N 0 0 339.395 4.377 50 0 EIAARN O=C(Nc1ccc(Cl)cn1)c1noc2c1CSc1ccccc1-2 ZINC000015673986 211840137 /nfs/dbraw/zinc/84/01/37/211840137.db2.gz ZZWDNZLYWOYWEH-UHFFFAOYSA-N 0 0 343.795 4.248 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c(C)c1 ZINC000015577082 211831849 /nfs/dbraw/zinc/83/18/49/211831849.db2.gz ODBQXDBZNDBNFP-UHFFFAOYSA-N 0 0 342.826 4.336 50 0 EIAARN COc1ccccc1N=C1NN=C(c2ccc3c(c2)CCC3)CS1 ZINC000015405288 211821208 /nfs/dbraw/zinc/82/12/08/211821208.db2.gz PWZLNBRMACDNJI-UHFFFAOYSA-N 0 0 337.448 4.103 50 0 EIAARN CCc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080345064 217299087 /nfs/dbraw/zinc/29/90/87/217299087.db2.gz WLMCEWHBFWKOAP-MNOVXSKESA-N 0 0 342.251 4.150 50 0 EIAARN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1cccc(F)c1 ZINC000080345638 217299367 /nfs/dbraw/zinc/29/93/67/217299367.db2.gz LNVQOZCMMDLQJI-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN CCOc1ccc(/C=C2\SC(=O)N(CC(C)C)C2=O)cc1OCC ZINC000015010486 211787027 /nfs/dbraw/zinc/78/70/27/211787027.db2.gz IVJMYIBZQAZFPZ-YBEGLDIGSA-N 0 0 349.452 4.176 50 0 EIAARN O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1)c1ccco1 ZINC000014887712 211770145 /nfs/dbraw/zinc/77/01/45/211770145.db2.gz IADPTIRMPIVITC-UHFFFAOYSA-N 0 0 346.386 4.273 50 0 EIAARN CCn1cc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cn1 ZINC000081279687 217378293 /nfs/dbraw/zinc/37/82/93/217378293.db2.gz HYHCCBAXWVONJY-INIZCTEOSA-N 0 0 333.435 4.403 50 0 EIAARN CC(C)COc1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000014771152 211762329 /nfs/dbraw/zinc/76/23/29/211762329.db2.gz QATAOSKMKMOTQZ-UHFFFAOYSA-N 0 0 333.815 4.392 50 0 EIAARN CC[C@H]1CCCCN1c1cc(C)nc2nc(-c3ccc(C)cc3)nn21 ZINC000014610271 211748407 /nfs/dbraw/zinc/74/84/07/211748407.db2.gz JDDNGTNJWNGLNP-KRWDZBQOSA-N 0 0 335.455 4.177 50 0 EIAARN Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)CCc2ccco2)c1 ZINC000014186074 211704165 /nfs/dbraw/zinc/70/41/65/211704165.db2.gz XXPQQNAXVHKQSM-INIZCTEOSA-N 0 0 329.440 4.228 50 0 EIAARN O=C(NC1CC1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000014079567 211677310 /nfs/dbraw/zinc/67/73/10/211677310.db2.gz XSCUQDWPNOMHID-MRXNPFEDSA-N 0 0 337.753 4.017 50 0 EIAARN Cc1nc([C@H](C)NC(=O)N(C)Cc2cc3ccccc3o2)cs1 ZINC000084272037 217591803 /nfs/dbraw/zinc/59/18/03/217591803.db2.gz HHIMWMGKUGZRNJ-NSHDSACASA-N 0 0 329.425 4.100 50 0 EIAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000013942330 211658535 /nfs/dbraw/zinc/65/85/35/211658535.db2.gz IWLLZKDYXHTQMM-VFNWGFHPSA-N 0 0 346.430 4.201 50 0 EIAARN O=C(Nc1ccc(-c2ccccc2)cn1)c1cncn1-c1ccccc1 ZINC000084562689 217615864 /nfs/dbraw/zinc/61/58/64/217615864.db2.gz MGZHVWMXHCBAQW-UHFFFAOYSA-N 0 0 340.386 4.187 50 0 EIAARN CCOc1ccc(C(=O)NCC2(c3cccs3)CCCC2)cc1 ZINC000013803177 211640498 /nfs/dbraw/zinc/64/04/98/211640498.db2.gz JSLAKFLWNKYIQM-UHFFFAOYSA-N 0 0 329.465 4.389 50 0 EIAARN CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000087065669 217711014 /nfs/dbraw/zinc/71/10/14/217711014.db2.gz NWEOLXIQJIPDJI-QGZVFWFLSA-N 0 0 346.858 4.359 50 0 EIAARN CSc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000013669384 211602462 /nfs/dbraw/zinc/60/24/62/211602462.db2.gz ZQRITGLUGXKTEZ-CQSZACIVSA-N 0 0 335.494 4.065 50 0 EIAARN O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(Cl)cc1 ZINC000013550384 211575618 /nfs/dbraw/zinc/57/56/18/211575618.db2.gz WOBWBGCBEQZLRO-UHFFFAOYSA-N 0 0 347.802 4.174 50 0 EIAARN Brc1ccccc1OCCCn1cnc2ccccc21 ZINC000013153055 211531761 /nfs/dbraw/zinc/53/17/61/211531761.db2.gz RGWSIEYSALUDMG-UHFFFAOYSA-N 0 0 331.213 4.268 50 0 EIAARN COc1ccc(COCc2cccc(NCc3cscn3)c2)cc1 ZINC000089444069 217799761 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Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000012770131 211451305 /nfs/dbraw/zinc/45/13/05/211451305.db2.gz ATUCDYBXNHFOEW-VMPITWQZSA-N 0 0 343.810 4.462 50 0 EIAARN C[C@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000012764051 211450123 /nfs/dbraw/zinc/45/01/23/211450123.db2.gz XXNQZAYOZKHZHD-LBPRGKRZSA-N 0 0 326.396 4.440 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cccc(Cl)c1 ZINC000012760511 211448396 /nfs/dbraw/zinc/44/83/96/211448396.db2.gz KAATUXIDHMBSCZ-LBPRGKRZSA-N 0 0 349.839 4.468 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccccn1 ZINC000012545206 211404733 /nfs/dbraw/zinc/40/47/33/211404733.db2.gz PTASCZUOCACJTI-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(Br)c1)C2 ZINC000012618215 211424886 /nfs/dbraw/zinc/42/48/86/211424886.db2.gz CQAIECOEXRLLDF-HNNXBMFYSA-N 0 0 348.265 4.413 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2ccccc2n1 ZINC000012524887 211399230 /nfs/dbraw/zinc/39/92/30/211399230.db2.gz PWCNXNLFRAPNIK-UHFFFAOYSA-N 0 0 332.388 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ZINC000011922051 211269934 /nfs/dbraw/zinc/26/99/34/211269934.db2.gz QNCOLHYQLJCCON-INIZCTEOSA-N 0 0 333.435 4.127 50 0 EIAARN Cc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc1C ZINC000011916128 211267777 /nfs/dbraw/zinc/26/77/77/211267777.db2.gz RYJPDCOILQHEGY-UHFFFAOYSA-N 0 0 333.800 4.321 50 0 EIAARN Cc1[nH]c2c(c1CC(=O)N(C)[C@@H](C)c1cncs1)c(C)ccc2C ZINC000091486803 218013221 /nfs/dbraw/zinc/01/32/21/218013221.db2.gz ZXOOSWAYWBUYED-AWEZNQCLSA-N 0 0 341.480 4.312 50 0 EIAARN O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000011899746 211264822 /nfs/dbraw/zinc/26/48/22/211264822.db2.gz HKGRTSYCNYIJLH-UHFFFAOYSA-N 0 0 337.316 4.306 50 0 EIAARN COc1cccc(C(=O)/N=c2/sc3c(ccc4ccccc34)n2C)c1 ZINC000011852833 211259708 /nfs/dbraw/zinc/25/97/08/211259708.db2.gz TVFFJTYCUMFNJT-QZQOTICOSA-N 0 0 348.427 4.143 50 0 EIAARN O=C(CCCc1cccs1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000011844369 211256110 /nfs/dbraw/zinc/25/61/10/211256110.db2.gz OMRKJQQLFSTTOM-KRWDZBQOSA-N 0 0 328.481 4.174 50 0 EIAARN CCn1nc(C(C)C)cc1C(=O)NC1(c2ccccc2Cl)CC1 ZINC000091602523 218030332 /nfs/dbraw/zinc/03/03/32/218030332.db2.gz ILAOLBMRHLBILO-UHFFFAOYSA-N 0 0 331.847 4.099 50 0 EIAARN Cc1ccc(Nc2nc(CSc3nncn3C3CC3)cs2)cc1 ZINC000011721123 211239528 /nfs/dbraw/zinc/23/95/28/211239528.db2.gz QYGGDZFZNBYMRZ-UHFFFAOYSA-N 0 0 343.481 4.414 50 0 EIAARN Cc1c2ccc(C)cc2oc1C(=O)NCc1cc(-c2ccccn2)no1 ZINC000091645624 218038832 /nfs/dbraw/zinc/03/88/32/218038832.db2.gz MJNUPBQSSDSOIL-UHFFFAOYSA-N 0 0 347.374 4.030 50 0 EIAARN CC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 ZINC000011738692 211241517 /nfs/dbraw/zinc/24/15/17/211241517.db2.gz AYZSRAZIHADDCL-GOSISDBHSA-N 0 0 344.842 4.108 50 0 EIAARN COc1ccc(N[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000011665392 211231530 /nfs/dbraw/zinc/23/15/30/211231530.db2.gz USUXWUNBKVDFLD-KRWDZBQOSA-N 0 0 344.842 4.065 50 0 EIAARN COc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC ZINC000011644860 211229524 /nfs/dbraw/zinc/22/95/24/211229524.db2.gz WBTJTLBNBUBDFS-LBPRGKRZSA-N 0 0 349.814 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O=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000009366770 211075613 /nfs/dbraw/zinc/07/56/13/211075613.db2.gz CVDVWYILARSAIH-UHFFFAOYSA-N 0 0 331.799 4.073 50 0 EIAARN CC[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1 ZINC000009420288 211081266 /nfs/dbraw/zinc/08/12/66/211081266.db2.gz QYUPMGZUCAGSGF-VQIMIIECSA-N 0 0 333.435 4.420 50 0 EIAARN CC[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1 ZINC000009420290 211081117 /nfs/dbraw/zinc/08/11/17/211081117.db2.gz QYUPMGZUCAGSGF-APWZRJJASA-N 0 0 333.435 4.420 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2F)s1)Nc1ccccc1F ZINC000009300610 211063984 /nfs/dbraw/zinc/06/39/84/211063984.db2.gz QOQYBMYMROZNFU-UHFFFAOYSA-N 0 0 332.335 4.127 50 0 EIAARN CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(C)c1 ZINC000009281501 211061718 /nfs/dbraw/zinc/06/17/18/211061718.db2.gz DGQJEAJAMBHXCN-UHFFFAOYSA-N 0 0 348.446 4.279 50 0 EIAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1)SCC(=O)N2 ZINC000009250685 211058236 /nfs/dbraw/zinc/05/82/36/211058236.db2.gz ZWIPBEZVICLHAB-IBGZPJMESA-N 0 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HEEWHFHXJLWGCN-UHFFFAOYSA-N 0 0 326.351 4.434 50 0 EIAARN Fc1c(F)c(OC(Cl)(Cl)Cl)ccc1Br ZINC000095215622 218282983 /nfs/dbraw/zinc/28/29/83/218282983.db2.gz PEAHQIBFFJYOEW-UHFFFAOYSA-N 0 0 326.351 4.434 50 0 EIAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(F)c1 ZINC000009141338 211043807 /nfs/dbraw/zinc/04/38/07/211043807.db2.gz QQYLLPPTIDXVCL-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000009134427 211042547 /nfs/dbraw/zinc/04/25/47/211042547.db2.gz BSEVOOVBUXZKRW-VIFPVBQESA-N 0 0 328.343 4.245 50 0 EIAARN COc1ccc(-c2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC000009125908 211042728 /nfs/dbraw/zinc/04/27/28/211042728.db2.gz XVCCTLPQBDDNLJ-UHFFFAOYSA-N 0 0 334.400 4.327 50 0 EIAARN O=C1CSc2ccccc2N1Cc1cncn1C1CCCCC1 ZINC000095360607 218292718 /nfs/dbraw/zinc/29/27/18/218292718.db2.gz KOBOCPZDFZCADI-UHFFFAOYSA-N 0 0 327.453 4.027 50 0 EIAARN CCCOc1nn(CCC)cc1C(=O)Nc1cccc2ccccc21 ZINC000009070998 211037761 /nfs/dbraw/zinc/03/77/61/211037761.db2.gz GDDXOAPNRCQOKY-UHFFFAOYSA-N 0 0 337.423 4.487 50 0 EIAARN C[C@H](Cc1nnc(NC(=O)C2CCCCC2)s1)c1ccccc1 ZINC000009095461 211039009 /nfs/dbraw/zinc/03/90/09/211039009.db2.gz SIKOZLXRXVHHPV-CYBMUJFWSA-N 0 0 329.469 4.403 50 0 EIAARN Cc1cc(OCC(=O)Nc2nc3ccccc3s2)ccc1C(C)C ZINC000009015855 211030949 /nfs/dbraw/zinc/03/09/49/211030949.db2.gz PSHOEQXSPIANKS-UHFFFAOYSA-N 0 0 340.448 4.168 50 0 EIAARN Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCC(C)C)cc2s1 ZINC000009049726 211034337 /nfs/dbraw/zinc/03/43/37/211034337.db2.gz CTVHZXFNONNDDV-UHFFFAOYSA-N 0 0 341.480 4.480 50 0 EIAARN Cc1nc2cc(F)cc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c2nc1C ZINC000095364754 218297999 /nfs/dbraw/zinc/29/79/99/218297999.db2.gz BIZQXKIHXMVZRG-KDOFPFPSSA-N 0 0 341.430 4.181 50 0 EIAARN C[C@H]1C(=O)N(Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000008945565 211022773 /nfs/dbraw/zinc/02/27/73/211022773.db2.gz MVHUDHSQZITCRF-NSHDSACASA-N 0 0 349.217 4.351 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccsc3)no2)C(C)C)cc1 ZINC000008986365 211026934 /nfs/dbraw/zinc/02/69/34/211026934.db2.gz ZXBAATKQRKZKDM-OAHLLOKOSA-N 0 0 341.436 4.234 50 0 EIAARN CCCc1ccc(C(=O)CSc2nnc(-c3ccncc3)o2)cc1 ZINC000008944457 211021840 /nfs/dbraw/zinc/02/18/40/211021840.db2.gz TVGBTBWAZVPGCZ-UHFFFAOYSA-N 0 0 339.420 4.059 50 0 EIAARN CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000095377277 218310143 /nfs/dbraw/zinc/31/01/43/218310143.db2.gz NMQINKIFEAVHBM-SFHVURJKSA-N 0 0 348.450 4.032 50 0 EIAARN CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000008917292 211018927 /nfs/dbraw/zinc/01/89/27/211018927.db2.gz VQAVEUVEVJNSEJ-INIZCTEOSA-N 0 0 339.778 4.012 50 0 EIAARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(C)o1 ZINC000008843941 211011215 /nfs/dbraw/zinc/01/12/15/211011215.db2.gz PQRNSXFKYNSMTO-OAHLLOKOSA-N 0 0 347.212 4.048 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)cn2)sc2nc(-c3ccccc3)cn12 ZINC000008843361 211009756 /nfs/dbraw/zinc/00/97/56/211009756.db2.gz BPMCMYBALCVPPB-UHFFFAOYSA-N 0 0 348.431 4.327 50 0 EIAARN COc1cc2c(cc1OC)[C@H](C)N(C(=S)Nc1ccccc1)CC2 ZINC000008829169 211009097 /nfs/dbraw/zinc/00/90/97/211009097.db2.gz PYEBXBDLDDUNBN-ZDUSSCGKSA-N 0 0 342.464 4.020 50 0 EIAARN COC(=O)c1sccc1Oc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000008887755 211015117 /nfs/dbraw/zinc/01/51/17/211015117.db2.gz KBKPVQWPRJDHFT-UHFFFAOYSA-N 0 0 333.409 4.312 50 0 EIAARN O=C(CCc1nc2ccccc2o1)NCc1ccc(C(F)(F)F)cc1 ZINC000008775064 211004569 /nfs/dbraw/zinc/00/45/69/211004569.db2.gz QTGXGLSAXJQLLB-UHFFFAOYSA-N 0 0 348.324 4.096 50 0 EIAARN C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000008774490 211003332 /nfs/dbraw/zinc/00/33/32/211003332.db2.gz IJJLEVVPCDPBCS-GFCCVEGCSA-N 0 0 328.462 4.292 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(C(F)(F)F)c1 ZINC000008757054 211001247 /nfs/dbraw/zinc/00/12/47/211001247.db2.gz NMEOWBSTXVTGNQ-UHFFFAOYSA-N 0 0 336.313 4.225 50 0 EIAARN CCOc1ccc(OCCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000008755673 211000772 /nfs/dbraw/zinc/00/07/72/211000772.db2.gz ZGIBJSYHSCTOTN-UHFFFAOYSA-N 0 0 349.814 4.155 50 0 EIAARN COC[C@H](C)Nc1nc(-c2cccs2)nc2sc(C)c(C)c21 ZINC000008753766 211000338 /nfs/dbraw/zinc/00/03/38/211000338.db2.gz CLUVCVQVBGSPCH-VIFPVBQESA-N 0 0 333.482 4.483 50 0 EIAARN O=C(Nc1cnc(C2CC2)nc1)N1CCCCC[C@H]1c1ccco1 ZINC000095399135 218332699 /nfs/dbraw/zinc/33/26/99/218332699.db2.gz GCRQAYMGJNUXKH-HNNXBMFYSA-N 0 0 326.400 4.096 50 0 EIAARN C[C@@H](c1ccco1)N(C(=O)c1cnc(-c2ccncc2)s1)C1CC1 ZINC000095401177 218335322 /nfs/dbraw/zinc/33/53/22/218335322.db2.gz KZLOZFMLPPRDQO-LBPRGKRZSA-N 0 0 339.420 4.164 50 0 EIAARN C[C@H](c1ccco1)N(C(=O)c1cnc(-c2ccncc2)s1)C1CC1 ZINC000095401178 218335631 /nfs/dbraw/zinc/33/56/31/218335631.db2.gz KZLOZFMLPPRDQO-GFCCVEGCSA-N 0 0 339.420 4.164 50 0 EIAARN CC1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000008729298 210993334 /nfs/dbraw/zinc/99/33/34/210993334.db2.gz UGFVPOAFYMHIDP-UHFFFAOYSA-N 0 0 331.419 4.169 50 0 EIAARN Cc1nn(C[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C ZINC000008714357 210987569 /nfs/dbraw/zinc/98/75/69/210987569.db2.gz HSNFPIYHUDYDJG-SECBINFHSA-N 0 0 340.254 4.390 50 0 EIAARN Cc1ccccc1-n1cnnc1SCc1cc(-c2ccco2)on1 ZINC000008710705 210985598 /nfs/dbraw/zinc/98/55/98/210985598.db2.gz QDPORXPCOZCUQR-UHFFFAOYSA-N 0 0 338.392 4.116 50 0 EIAARN Cc1nc(S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)n[nH]1 ZINC000095409286 218345360 /nfs/dbraw/zinc/34/53/60/218345360.db2.gz MNPOUVCYYRPGDC-OAHLLOKOSA-N 0 0 349.419 4.045 50 0 EIAARN O=C(Cc1ccon1)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000095418612 218358752 /nfs/dbraw/zinc/35/87/52/218358752.db2.gz UUFSAHNJMSGREG-UHFFFAOYSA-N 0 0 341.798 4.121 50 0 EIAARN O=[S@@](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC1CC1 ZINC000095419050 218358792 /nfs/dbraw/zinc/35/87/92/218358792.db2.gz YLGSVHOKJCRKNA-QFIPXVFZSA-N 0 0 345.411 4.488 50 0 EIAARN C[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000095419551 218359814 /nfs/dbraw/zinc/35/98/14/218359814.db2.gz VKEZCWVNJAYVBW-IERDGZPVSA-N 0 0 344.418 4.301 50 0 EIAARN O=C(CCCc1ccccn1)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000095412749 218350269 /nfs/dbraw/zinc/35/02/69/218350269.db2.gz ZVSLEFDUBNBAKS-DENIHFKCSA-N 0 0 334.463 4.332 50 0 EIAARN Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000095413280 218350305 /nfs/dbraw/zinc/35/03/05/218350305.db2.gz UJBRODXKVWCLAA-RHSMWYFYSA-N 0 0 346.427 4.009 50 0 EIAARN Cc1oc(-c2ccco2)nc1CSCc1nnc(C(C)(C)C)o1 ZINC000095412907 218351024 /nfs/dbraw/zinc/35/10/24/218351024.db2.gz YRDKEIDKYPHTOV-UHFFFAOYSA-N 0 0 333.413 4.357 50 0 EIAARN Fc1cc(NCc2nnc(-c3ccccc3Cl)o2)cc(F)c1F ZINC000095414883 218352947 /nfs/dbraw/zinc/35/29/47/218352947.db2.gz IBRKRZIQALVYLK-UHFFFAOYSA-N 0 0 339.704 4.419 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)n2)cc1 ZINC000008549992 210964665 /nfs/dbraw/zinc/96/46/65/210964665.db2.gz AMPSDUUKPIVKLY-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN Cc1cc(C)nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000008548820 210963835 /nfs/dbraw/zinc/96/38/35/210963835.db2.gz PYQVJJZTFRNSNW-NSHDSACASA-N 0 0 339.222 4.411 50 0 EIAARN CCc1ccc(C(=O)c2ccc(NCc3nnc(C(C)C)o3)cc2)o1 ZINC000095426053 218368789 /nfs/dbraw/zinc/36/87/89/218368789.db2.gz LROYEADXQMJMDR-UHFFFAOYSA-N 0 0 339.395 4.192 50 0 EIAARN Cc1nc(NC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)oc1C ZINC000095428469 218370809 /nfs/dbraw/zinc/37/08/09/218370809.db2.gz YMKPVIMJGRSGLI-APWZRJJASA-N 0 0 325.412 4.225 50 0 EIAARN COc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1 ZINC000008447903 210953524 /nfs/dbraw/zinc/95/35/24/210953524.db2.gz RSASMHNATUXITB-UHFFFAOYSA-N 0 0 339.376 4.179 50 0 EIAARN CCn1cc(CNc2ccc(NC(=O)OC(C)(C)C)cc2C)cn1 ZINC000095429359 218371846 /nfs/dbraw/zinc/37/18/46/218371846.db2.gz VXFKYWGQZPYYCQ-UHFFFAOYSA-N 0 0 330.432 4.171 50 0 EIAARN COc1ccc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)ccc2c1 ZINC000008429467 210952794 /nfs/dbraw/zinc/95/27/94/210952794.db2.gz MZGHQDCCMRWIAM-UHFFFAOYSA-N 0 0 334.375 4.059 50 0 EIAARN C(=C/c1nn2c(CSc3ccccc3)nnc2s1)\c1ccco1 ZINC000008393272 210947437 /nfs/dbraw/zinc/94/74/37/210947437.db2.gz MYDWHYXPYMBPAE-CMDGGOBGSA-N 0 0 340.433 4.242 50 0 EIAARN CCC[C@H](C)NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008388800 210946606 /nfs/dbraw/zinc/94/66/06/210946606.db2.gz GDLKWVKBBBGYKC-HNNXBMFYSA-N 0 0 327.424 4.193 50 0 EIAARN c1nc2n(n1)CCC[C@@H]2NCc1ccc(Sc2ccccc2)cc1 ZINC000095436114 218378629 /nfs/dbraw/zinc/37/86/29/218378629.db2.gz LTNZMVNSUGXBBS-SFHVURJKSA-N 0 0 336.464 4.054 50 0 EIAARN COc1ccc(C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000008360808 210941825 /nfs/dbraw/zinc/94/18/25/210941825.db2.gz PUKMDQWMAODTGB-UHFFFAOYSA-N 0 0 335.403 4.129 50 0 EIAARN O=[S@@](Cc1ccc(Oc2ccccc2)c(F)c1)CC1CCOCC1 ZINC000095439200 218383344 /nfs/dbraw/zinc/38/33/44/218383344.db2.gz UMXRVSJOSOKBKQ-DEOSSOPVSA-N 0 0 348.439 4.293 50 0 EIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000008342763 210939200 /nfs/dbraw/zinc/93/92/00/210939200.db2.gz CTFBUTMMEOKRCX-UHFFFAOYSA-N 0 0 326.396 4.029 50 0 EIAARN CCOc1ccc(Oc2ccccc2NC(=O)c2cc(C)on2)cc1 ZINC000008326337 210936743 /nfs/dbraw/zinc/93/67/43/210936743.db2.gz OVISXUZBOTXMJK-UHFFFAOYSA-N 0 0 338.363 4.426 50 0 EIAARN CC(=O)Nc1cc(NCc2nc3ccccc3n2C(C)C)ccc1F ZINC000095444832 218389035 /nfs/dbraw/zinc/38/90/35/218389035.db2.gz DMAQXRABNAOAKJ-UHFFFAOYSA-N 0 0 340.402 4.327 50 0 EIAARN CCC[C@@H](c1ccccn1)N(C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000095446767 218390681 /nfs/dbraw/zinc/39/06/81/218390681.db2.gz AYUFHFUHWHRCBY-PXNSSMCTSA-N 0 0 339.483 4.499 50 0 EIAARN COc1ccc(-c2coc3cc(OCc4ccon4)ccc3c2=O)cc1 ZINC000095457390 218399327 /nfs/dbraw/zinc/39/93/27/218399327.db2.gz DGYZIZKEEUVUGB-UHFFFAOYSA-N 0 0 349.342 4.036 50 0 EIAARN CC(C)(C)OC(=O)NC1(c2nc(-c3ccsc3)no2)CCCCC1 ZINC000095449625 218393862 /nfs/dbraw/zinc/39/38/62/218393862.db2.gz RBEDGGHWXHXTEK-UHFFFAOYSA-N 0 0 349.456 4.482 50 0 EIAARN CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)c1ccc(F)cc1F ZINC000095451252 218395586 /nfs/dbraw/zinc/39/55/86/218395586.db2.gz NTAPXQYUYNZLIY-SFHVURJKSA-N 0 0 347.405 4.187 50 0 EIAARN Cc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000008292084 210928386 /nfs/dbraw/zinc/92/83/86/210928386.db2.gz GMFNXNUNTFTYBU-UHFFFAOYSA-N 0 0 328.755 4.055 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(Cl)c2ccccc12)c1ccco1 ZINC000008193174 210911238 /nfs/dbraw/zinc/91/12/38/210911238.db2.gz FLERWEFRPOJHPM-GFCCVEGCSA-N 0 0 329.783 4.342 50 0 EIAARN O=C1CS[C@H](c2cccc(O)c2)c2c(ncn2-c2ccccc2)N1 ZINC000095476795 218409641 /nfs/dbraw/zinc/40/96/41/218409641.db2.gz OERTTYWLQLZEMG-QGZVFWFLSA-N 0 0 337.404 4.002 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(Cl)c1 ZINC000007944663 210867937 /nfs/dbraw/zinc/86/79/37/210867937.db2.gz GETBUBSKFSRVJZ-SFHVURJKSA-N 0 0 340.810 4.243 50 0 EIAARN CSc1cccc(NC(=O)CCc2c(C)nc(SC)nc2C)c1 ZINC000007940634 210866689 /nfs/dbraw/zinc/86/66/89/210866689.db2.gz YEPPBWJHXXMXIL-UHFFFAOYSA-N 0 0 347.509 4.109 50 0 EIAARN COc1cc2c(cc1/C=C1\C(=O)Nc3ccc(Cl)cc31)O[C@@H](C)C2 ZINC000007813637 210850912 /nfs/dbraw/zinc/85/09/12/210850912.db2.gz GCYMNEAJYZPUOB-YSIZRHRHSA-N 0 0 341.794 4.165 50 0 EIAARN Cc1cccc(OCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000007781219 210845091 /nfs/dbraw/zinc/84/50/91/210845091.db2.gz QMMQCJDJQDRKHP-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN CCc1cc2c(nc3n(c2=O)CC/C3=C\c2ccc(F)c(F)c2)s1 ZINC000007700711 210833554 /nfs/dbraw/zinc/83/35/54/210833554.db2.gz JXLNOBRLOLQWOH-YRNVUSSQSA-N 0 0 344.386 4.243 50 0 EIAARN COc1ccc2c(CC(=O)Nc3cccc4cnccc43)coc2c1 ZINC000007655196 210828021 /nfs/dbraw/zinc/82/80/21/210828021.db2.gz XAOYMCZXHYZQBE-UHFFFAOYSA-N 0 0 332.359 4.171 50 0 EIAARN Cc1nnc(COC(=O)c2sc3cc(Cl)ccc3c2Cl)o1 ZINC000007653350 210825833 /nfs/dbraw/zinc/82/58/33/210825833.db2.gz FFMXSOHYRVKNPI-UHFFFAOYSA-N 0 0 343.191 4.257 50 0 EIAARN Cc1cc(NC(=O)[C@@H](C)Cc2cccs2)cnc1Br ZINC000096009005 218510877 /nfs/dbraw/zinc/51/08/77/218510877.db2.gz PIJNUQUFCFGLSM-JTQLQIEISA-N 0 0 339.258 4.031 50 0 EIAARN Nc1nnc(SCc2csc(-c3ccccc3Cl)n2)s1 ZINC000007536095 210812182 /nfs/dbraw/zinc/81/21/82/210812182.db2.gz YHLJRYOOPSBFEV-UHFFFAOYSA-N 0 0 340.886 4.190 50 0 EIAARN O=C(Nc1ccccc1)c1ccccc1OCc1cn2ccccc2n1 ZINC000007318710 210782477 /nfs/dbraw/zinc/78/24/77/210782477.db2.gz NFBMPTDJALZLDY-UHFFFAOYSA-N 0 0 343.386 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ZINC000006236486 210604715 /nfs/dbraw/zinc/60/47/15/210604715.db2.gz WXGFNPLYPQMJGU-UHFFFAOYSA-N 0 0 334.249 4.031 50 0 EIAARN O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)Nc1cccnc1 ZINC000096297610 218741152 /nfs/dbraw/zinc/74/11/52/218741152.db2.gz KOQDQXBDDRXYCZ-UTCJRWHESA-N 0 0 326.705 4.406 50 0 EIAARN Cc1ccc(-c2nc(CSc3nnc4ccccn43)cs2)cc1 ZINC000006115078 210591476 /nfs/dbraw/zinc/59/14/76/210591476.db2.gz KWAZELFBHDSFGL-UHFFFAOYSA-N 0 0 338.461 4.454 50 0 EIAARN Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)n1 ZINC000006054853 210582496 /nfs/dbraw/zinc/58/24/96/210582496.db2.gz VFBBSPKQAVRXRO-UHFFFAOYSA-N 0 0 339.222 4.495 50 0 EIAARN CC(C)c1ocnc1C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000096407256 218757953 /nfs/dbraw/zinc/75/79/53/218757953.db2.gz VUKJHCSLAHOLAJ-DEOSSOPVSA-N 0 0 348.468 4.098 50 0 EIAARN CN(Cc1cnccn1)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000096410629 218765534 /nfs/dbraw/zinc/76/55/34/218765534.db2.gz JFPSWWBMRZYLDB-UHFFFAOYSA-N 0 0 330.457 4.031 50 0 EIAARN CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccccc2)C1 ZINC000005902090 210556003 /nfs/dbraw/zinc/55/60/03/210556003.db2.gz FGLIWMCLJNZMBF-CQSZACIVSA-N 0 0 342.508 4.411 50 0 EIAARN O=C1CCCC[C@@H]1Sc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000005887336 210554188 /nfs/dbraw/zinc/55/41/88/210554188.db2.gz HETDPLLKMRKGKD-INIZCTEOSA-N 0 0 339.420 4.131 50 0 EIAARN COC[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000096417984 218780063 /nfs/dbraw/zinc/78/00/63/218780063.db2.gz PXUXXBXXCNVGEV-CQSZACIVSA-N 0 0 344.386 4.118 50 0 EIAARN CCCCOC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000005826176 210543373 /nfs/dbraw/zinc/54/33/73/210543373.db2.gz BQKMYYABSIILOE-XIYOGDHISA-N 0 0 349.430 4.357 50 0 EIAARN C[C@@H]1[C@@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000005677012 210514005 /nfs/dbraw/zinc/51/40/05/210514005.db2.gz OKEDHTSICXDDKB-BGUDKVOASA-N 0 0 348.398 4.437 50 0 EIAARN COc1ccc(CNC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000005681109 210516727 /nfs/dbraw/zinc/51/67/27/210516727.db2.gz 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/nfs/dbraw/zinc/05/73/36/258057336.db2.gz JFMJOTSJBIOPFH-UHFFFAOYSA-N 0 0 345.757 4.484 50 0 EIAARN COc1cccc(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000031817444 258058224 /nfs/dbraw/zinc/05/82/24/258058224.db2.gz HSWKAFZLPONURX-GFCCVEGCSA-N 0 0 329.421 4.017 50 0 EIAARN O=C(c1ccc(N2CCCCC2=O)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000032883784 258059033 /nfs/dbraw/zinc/05/90/33/258059033.db2.gz BMLCTLNVSXFMFQ-HXUWFJFHSA-N 0 0 348.446 4.181 50 0 EIAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2NCc1cccnc1 ZINC000040216636 258059778 /nfs/dbraw/zinc/05/97/78/258059778.db2.gz IJCCYEUAXUCWIB-UHFFFAOYSA-N 0 0 329.407 4.020 50 0 EIAARN Cc1nc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cs1 ZINC000071774920 258064004 /nfs/dbraw/zinc/06/40/04/258064004.db2.gz YMZBGCKFPQVAIN-OAHLLOKOSA-N 0 0 343.279 4.332 50 0 EIAARN COc1cc(C)c(CN[C@@H](C)c2csc(C3CC3)n2)cc1OC ZINC000089570336 258065896 /nfs/dbraw/zinc/06/58/96/258065896.db2.gz QEEXCXXOLRPDSB-LBPRGKRZSA-N 0 0 332.469 4.197 50 0 EIAARN COc1ccccc1NCc1nnc(-c2ccccc2C(F)(F)F)o1 ZINC000095414801 258067125 /nfs/dbraw/zinc/06/71/25/258067125.db2.gz RSWAZPQZWYYFPO-UHFFFAOYSA-N 0 0 349.312 4.376 50 0 EIAARN Cc1csc(-c2cccc(C(=O)N[C@H]3CCO[C@@H](C(C)C)C3)c2)n1 ZINC000095459015 258067212 /nfs/dbraw/zinc/06/72/12/258067212.db2.gz RKDUDMXRIAJLKD-DLBZAZTESA-N 0 0 344.480 4.052 50 0 EIAARN CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(OC)ccc1Br ZINC000095459131 258067222 /nfs/dbraw/zinc/06/72/22/258067222.db2.gz PSDYGMZEQDUBIR-WDEREUQCSA-N 0 0 341.249 4.253 50 0 EIAARN CCCSc1ccccc1NC(=O)N(C)[C@@H](C)c1ccncn1 ZINC000096164964 258067806 /nfs/dbraw/zinc/06/78/06/258067806.db2.gz IUGAIBYUNPUHFQ-ZDUSSCGKSA-N 0 0 330.457 4.204 50 0 EIAARN COc1cc(N[C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1NC(C)=O ZINC000097045629 258068214 /nfs/dbraw/zinc/06/82/14/258068214.db2.gz YOEVXJNDACUIDF-LBPRGKRZSA-N 0 0 344.459 4.087 50 0 EIAARN Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@H]2c2ccco2)n1 ZINC000151109605 258070350 /nfs/dbraw/zinc/07/03/50/258070350.db2.gz FSIJJTXYCOEJPD-KRWDZBQOSA-N 0 0 336.395 4.143 50 0 EIAARN CCc1oc2c(cccc2NC(=O)N(C)Cc2cc(C)no2)c1C ZINC000299761717 258078705 /nfs/dbraw/zinc/07/87/05/258078705.db2.gz ZHNOVDDBTFBBME-UHFFFAOYSA-N 0 0 327.384 4.264 50 0 EIAARN Cc1cccc([C@H]2CCCN(C(=O)Nc3cccc4c[nH]nc43)C2)c1 ZINC000299766366 258081530 /nfs/dbraw/zinc/08/15/30/258081530.db2.gz DAEMUDLYYGOIDO-KRWDZBQOSA-N 0 0 334.423 4.283 50 0 EIAARN O=C(C[C@@H]1CCCOC1)NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000299766976 258081726 /nfs/dbraw/zinc/08/17/26/258081726.db2.gz FXDGNFVIZKEEEV-ZDUSSCGKSA-N 0 0 333.815 4.033 50 0 EIAARN O=C(Nc1ccc2n[nH]cc2c1)N(Cc1ccccn1)C1CCCCC1 ZINC000299768539 258082619 /nfs/dbraw/zinc/08/26/19/258082619.db2.gz LAXMFGPXDFZZCI-UHFFFAOYSA-N 0 0 349.438 4.325 50 0 EIAARN Cc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000055542896 132195153 /nfs/dbraw/zinc/19/51/53/132195153.db2.gz DJHUDCXHLQWMDJ-UHFFFAOYSA-N 0 0 345.284 4.080 50 0 EIAARN CSc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543175 132195873 /nfs/dbraw/zinc/19/58/73/132195873.db2.gz SVUDWAOQQQNFTE-UHFFFAOYSA-N 0 0 332.900 4.384 50 0 EIAARN O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(Cl)ccc1F ZINC000040082494 132398475 /nfs/dbraw/zinc/39/84/75/132398475.db2.gz HLWDBYSPYASHSW-UHFFFAOYSA-N 0 0 346.789 4.248 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2N2CCc3sccc3C2)cn1 ZINC000040134137 132399334 /nfs/dbraw/zinc/39/93/34/132399334.db2.gz GZLOBTMYRQBWSV-UHFFFAOYSA-N 0 0 349.459 4.267 50 0 EIAARN Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc(OCC(C)C)nc1 ZINC000048289880 132427866 /nfs/dbraw/zinc/42/78/66/132427866.db2.gz JTBLPFAGTKVRRB-UHFFFAOYSA-N 0 0 342.414 4.157 50 0 EIAARN CC1=CC(C)(C)N(S(=O)(=O)c2ccc(F)cc2)c2ccccc21 ZINC000000169589 135646240 /nfs/dbraw/zinc/64/62/40/135646240.db2.gz UILXWMNQUXJHST-UHFFFAOYSA-N 0 0 331.412 4.217 50 0 EIAARN C[C@@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000000319313 135648684 /nfs/dbraw/zinc/64/86/84/135648684.db2.gz ABTVTSYAKHYCEF-INIZCTEOSA-N 0 0 342.870 4.182 50 0 EIAARN CC1=CC(C)(C)N(C(=O)c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000001432194 135655100 /nfs/dbraw/zinc/65/51/00/135655100.db2.gz ORUDRXPDWGMAOM-UHFFFAOYSA-N 0 0 339.366 4.397 50 0 EIAARN Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1 ZINC000005133566 135669707 /nfs/dbraw/zinc/66/97/07/135669707.db2.gz XUIAATHNEQWORS-UHFFFAOYSA-N 0 0 341.436 4.016 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 ZINC000005136401 135670114 /nfs/dbraw/zinc/67/01/14/135670114.db2.gz XOERLHAVCKTJHZ-UHFFFAOYSA-N 0 0 336.435 4.183 50 0 EIAARN CCN1CCSc2ccc(C(=O)NCc3ccccc3Cl)cc21 ZINC000006802553 135676960 /nfs/dbraw/zinc/67/69/60/135676960.db2.gz PSFWSLXJCRBSFH-UHFFFAOYSA-N 0 0 346.883 4.202 50 0 EIAARN CC(=O)c1ccc(C2=NNc3cc(Cl)c(Cl)cc3N2O)cc1 ZINC000006832294 135677520 /nfs/dbraw/zinc/67/75/20/135677520.db2.gz OBUHGMMKKOHBCT-UHFFFAOYSA-N 0 0 336.178 4.179 50 0 EIAARN CC[C@H]1CN(C(=O)NCc2ccccc2)c2cc(Cl)ccc2O1 ZINC000006843061 135677808 /nfs/dbraw/zinc/67/78/08/135677808.db2.gz NVHKGQQEXSBGIK-HNNXBMFYSA-N 0 0 330.815 4.227 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCCc2ccccc21 ZINC000007778063 135681039 /nfs/dbraw/zinc/68/10/39/135681039.db2.gz VUBYWSMQIRVCOJ-UHFFFAOYSA-N 0 0 349.409 4.221 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)N3C[C@H](C)[C@H]3c3ccccc3)c2)no1 ZINC000158465713 225021089 /nfs/dbraw/zinc/02/10/89/225021089.db2.gz KXJQEQFYCSPFKY-UGSOOPFHSA-N 0 0 348.406 4.270 50 0 EIAARN C[C@H](CNc1ncnc2sc3c(c21)CCC3)Oc1ccccc1 ZINC000170626633 226664697 /nfs/dbraw/zinc/66/46/97/226664697.db2.gz HMJFCZXMVYFXIP-GFCCVEGCSA-N 0 0 325.437 4.059 50 0 EIAARN O=C(Nc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1Cl ZINC000122372248 222075286 /nfs/dbraw/zinc/07/52/86/222075286.db2.gz XSNFTASMBBAFAX-UHFFFAOYSA-N 0 0 332.190 4.431 50 0 EIAARN Cc1cc(CC(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)no1 ZINC000172013101 227422273 /nfs/dbraw/zinc/42/22/73/227422273.db2.gz RPXDRFOHCWTKTH-KRWDZBQOSA-N 0 0 346.839 4.146 50 0 EIAARN CN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026295305 517934051 /nfs/dbraw/zinc/93/40/51/517934051.db2.gz GPCQIZSFZDGULR-TZMCWYRMSA-N 0 0 332.341 4.088 50 0 EIAARN CC(C)OC(=O)C[C@@H](NC(=O)C1CCCC1)c1ccccc1Cl ZINC000029026263 519747915 /nfs/dbraw/zinc/74/79/15/519747915.db2.gz PTRGWJGNEBMRHY-MRXNPFEDSA-N 0 0 337.847 4.029 50 0 EIAARN CC(C)(C)C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000016891429 534521590 /nfs/dbraw/zinc/52/15/90/534521590.db2.gz DNKBZEWDRPNBQI-UHFFFAOYSA-N 0 0 336.435 4.264 50 0 EIAARN CCCCOc1ccccc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000002998581 520914809 /nfs/dbraw/zinc/91/48/09/520914809.db2.gz UHUJELKFFKSHTR-UHFFFAOYSA-N 0 0 329.396 4.135 50 0 EIAARN COc1ccc(-c2nnc(S[C@H](C(C)=O)c3ccccc3)o2)cc1 ZINC000003437103 523265282 /nfs/dbraw/zinc/26/52/82/523265282.db2.gz NARWSNJHJDQJDZ-MRXNPFEDSA-N 0 0 340.404 4.168 50 0 EIAARN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCCC2(C1)CCCCCC2 ZINC000129667812 534750343 /nfs/dbraw/zinc/75/03/43/534750343.db2.gz OAVFWWURBGFQHZ-MSOLQXFVSA-N 0 0 334.504 4.090 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](O)[C@]4(C)CC[C@H]32)C1 ZINC000253527881 534778945 /nfs/dbraw/zinc/77/89/45/534778945.db2.gz OQHMNEGOKQMOFM-MTPZLDIWSA-N 0 0 332.484 4.242 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000253608411 534779483 /nfs/dbraw/zinc/77/94/83/534779483.db2.gz NCMZQTLCXHGLOK-FJEWGBTGSA-N 0 0 330.468 4.450 50 0 EIAARN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253617354 534780135 /nfs/dbraw/zinc/78/01/35/534780135.db2.gz UPBHDNBADOAHCA-YQUGOWONSA-N 0 0 332.484 4.242 50 0 EIAARN CC(C)(C)[C@H](NC(=O)c1ccnnc1)c1cccc(C(F)(F)F)c1 ZINC000132734385 526707084 /nfs/dbraw/zinc/70/70/84/526707084.db2.gz IYWDHFVDIKCGMG-CQSZACIVSA-N 0 0 337.345 4.013 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(F)c1 ZINC000035536340 526848636 /nfs/dbraw/zinc/84/86/36/526848636.db2.gz DCXZRKZJNMTSRW-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000040150749 535093413 /nfs/dbraw/zinc/09/34/13/535093413.db2.gz UUBYGJNIQBUSJP-SFHVURJKSA-N 0 0 337.467 4.279 50 0 EIAARN CC1CCN(c2ccc(C(=O)N3c4ccccc4CC[C@H]3C)cn2)CC1 ZINC000075091986 535284141 /nfs/dbraw/zinc/28/41/41/535284141.db2.gz MCUIOVPJIHRCDG-QGZVFWFLSA-N 0 0 349.478 4.299 50 0 EIAARN CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(F)cc2)C(=S)N1 ZINC000008023647 535829047 /nfs/dbraw/zinc/82/90/47/535829047.db2.gz KMAMYELVICOFMI-VQIMIIECSA-N 0 0 342.439 4.323 50 0 EIAARN COc1ccc([C@H]2CCCCN(C(=O)Cc3ccccc3F)C2)cc1 ZINC000206883706 536938286 /nfs/dbraw/zinc/93/82/86/536938286.db2.gz IRKBECOCQXASKK-SFHVURJKSA-N 0 0 341.426 4.173 50 0 EIAARN COc1cccc(-c2cccc(C(=O)N(C)[C@@H](C)c3ccon3)c2)c1 ZINC000214994772 537065310 /nfs/dbraw/zinc/06/53/10/537065310.db2.gz OUYJWTRBEQRISP-AWEZNQCLSA-N 0 0 336.391 4.183 50 0 EIAARN CC(C)(C)SCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000014249696 563755656 /nfs/dbraw/zinc/75/56/56/563755656.db2.gz MOUZPZYJKGUDQQ-UHFFFAOYSA-N 0 0 337.876 4.055 50 0 EIAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1c1c(F)cccc1F ZINC000000424054 563998423 /nfs/dbraw/zinc/99/84/23/563998423.db2.gz SHLWGYRPAVSCDB-OAHLLOKOSA-N 0 0 325.767 4.397 50 0 EIAARN C[C@@H](c1ccc(F)c(Cl)c1)N1CCO[C@H](c2nccs2)C1 ZINC000065594992 563998638 /nfs/dbraw/zinc/99/86/38/563998638.db2.gz XSBSDGVNZWPBAE-HZMBPMFUSA-N 0 0 326.824 4.070 50 0 EIAARN COc1cc(OC)c(NC(=O)c2sccc2Cl)cc1Cl ZINC000225491334 564047217 /nfs/dbraw/zinc/04/72/17/564047217.db2.gz LCAGVCUMLUKRKS-UHFFFAOYSA-N 0 0 332.208 4.324 50 0 EIAARN CSC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000095963044 564142806 /nfs/dbraw/zinc/14/28/06/564142806.db2.gz CUDUDHBFLGTHPH-GHMZBOCLSA-N 0 0 332.296 4.308 50 0 EIAARN O=C(CSc1ccccc1Cl)NCc1ccccc1Cl ZINC000003218182 564156102 /nfs/dbraw/zinc/15/61/02/564156102.db2.gz DITNYKHUIAYWQE-UHFFFAOYSA-N 0 0 326.248 4.402 50 0 EIAARN CSc1nsc(SC)c1C(=O)Nc1ccc(Cl)cc1 ZINC000000105822 563227682 /nfs/dbraw/zinc/22/76/82/563227682.db2.gz MJHNUHGVMRGDNT-UHFFFAOYSA-N 0 0 330.887 4.493 50 0 EIAARN Cc1cc(Br)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000000037598 563212143 /nfs/dbraw/zinc/21/21/43/563212143.db2.gz OTRALLIMWLKVSH-ZDUSSCGKSA-N 0 0 348.240 4.014 50 0 EIAARN CC[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 ZINC000000037592 563212169 /nfs/dbraw/zinc/21/21/69/563212169.db2.gz QGSYKXHKLKHRJM-CYBMUJFWSA-N 0 0 333.815 4.490 50 0 EIAARN O=C(Cc1cccs1)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000074056 563216585 /nfs/dbraw/zinc/21/65/85/563216585.db2.gz TYHBCSQKSXFLDH-UHFFFAOYSA-N 0 0 349.868 4.025 50 0 EIAARN S=C1N=C(c2ccccc2)C[C@H](c2ccc(Br)cc2)N1 ZINC000000085826 563219948 /nfs/dbraw/zinc/21/99/48/563219948.db2.gz KQCZHXHDFFWTQL-OAHLLOKOSA-N 0 0 345.265 4.009 50 0 EIAARN CCOc1ccc(NC[C@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000000086837 563220792 /nfs/dbraw/zinc/22/07/92/563220792.db2.gz OLJIRVLFEXAKQR-SFHVURJKSA-N 0 0 338.451 4.130 50 0 EIAARN Clc1cc2c(-c3nnnn3-c3ccccc3)c[nH]c2c(Cl)c1 ZINC000000087505 563221174 /nfs/dbraw/zinc/22/11/74/563221174.db2.gz REXQLHWFRXTALD-UHFFFAOYSA-N 0 0 330.178 4.117 50 0 EIAARN Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000000091842 563222773 /nfs/dbraw/zinc/22/27/73/563222773.db2.gz NUASWOCHBCTNDY-UHFFFAOYSA-N 0 0 347.802 4.437 50 0 EIAARN C[C@@H]1CCc2c(sc3ncn(Cc4cccc(Cl)c4)c(=O)c23)C1 ZINC000000098392 563225008 /nfs/dbraw/zinc/22/50/08/563225008.db2.gz ZLLWWSADMHVGSE-LLVKDONJSA-N 0 0 344.867 4.285 50 0 EIAARN Cc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)C(F)F)cc1 ZINC000000101762 563226238 /nfs/dbraw/zinc/22/62/38/563226238.db2.gz NMOAUEHGMHQMEE-UHFFFAOYSA-N 0 0 331.771 4.066 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(N)=O)cc1 ZINC000000117135 563232615 /nfs/dbraw/zinc/23/26/15/563232615.db2.gz ZERUUHWOHOOZNU-UHFFFAOYSA-N 0 0 336.416 4.075 50 0 EIAARN CC(=O)n1nccc1-c1sc(COc2cccc(Cl)c2)nc1C ZINC000000121231 563234368 /nfs/dbraw/zinc/23/43/68/563234368.db2.gz FMGPKJNSYKKBGO-UHFFFAOYSA-N 0 0 347.827 4.208 50 0 EIAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000000121624 563234791 /nfs/dbraw/zinc/23/47/91/563234791.db2.gz DRGHFXCJRKOTLO-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN c1cc(Nc2ncnc3sc4c(c32)CCCC4)cc2c1OCO2 ZINC000000125764 563236526 /nfs/dbraw/zinc/23/65/26/563236526.db2.gz AGFQOOHDYTTZLE-UHFFFAOYSA-N 0 0 325.393 4.042 50 0 EIAARN O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000000127495 563237342 /nfs/dbraw/zinc/23/73/42/563237342.db2.gz YKGKAAYLEKQWPL-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN Cc1ccc(O)c(Nc2ncnc3ccc(Br)cc32)c1 ZINC000000132600 563239142 /nfs/dbraw/zinc/23/91/42/563239142.db2.gz UZRJMEOLEARTEY-UHFFFAOYSA-N 0 0 330.185 4.150 50 0 EIAARN Cc1cc(OCC(=O)Nc2ccc(N(C)C)cc2)ccc1C(C)C ZINC000000142427 563242933 /nfs/dbraw/zinc/24/29/33/563242933.db2.gz UPDSGCSYWKPKIW-UHFFFAOYSA-N 0 0 326.440 4.202 50 0 EIAARN CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21 ZINC000000148162 563245155 /nfs/dbraw/zinc/24/51/55/563245155.db2.gz SLQHQVFFRBRAIJ-UHFFFAOYSA-N 0 0 342.464 4.494 50 0 EIAARN Cn1nc(-c2ccc(-c3cc[nH]c(=S)n3)s2)cc1C(F)(F)F ZINC000000149916 563245722 /nfs/dbraw/zinc/24/57/22/563245722.db2.gz AOSKQDUUZTVJCO-UHFFFAOYSA-N 0 0 342.371 4.287 50 0 EIAARN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000000152250 563246749 /nfs/dbraw/zinc/24/67/49/563246749.db2.gz XATJJZWRZHLCRP-HNNXBMFYSA-N 0 0 334.341 4.216 50 0 EIAARN Cc1c(C(=O)N(Cc2ccccc2)C(C)C)cnn1-c1ccccc1 ZINC000000154814 563247443 /nfs/dbraw/zinc/24/74/43/563247443.db2.gz DTNSMRJFACGCEY-UHFFFAOYSA-N 0 0 333.435 4.232 50 0 EIAARN O=C(NCc1ccccn1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC000000157167 563248151 /nfs/dbraw/zinc/24/81/51/563248151.db2.gz ZTBLNVDCGDPZJR-UHFFFAOYSA-N 0 0 328.843 4.325 50 0 EIAARN O=C(Nc1c(F)cc(F)cc1Br)c1ccccc1F ZINC000000166569 563249569 /nfs/dbraw/zinc/24/95/69/563249569.db2.gz FTHSTEZWRQJRBG-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000000172925 563252012 /nfs/dbraw/zinc/25/20/12/563252012.db2.gz BVCKBSUYHLHXCE-UHFFFAOYSA-N 0 0 327.783 4.490 50 0 EIAARN COc1cccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c1 ZINC000000177093 563253455 /nfs/dbraw/zinc/25/34/55/563253455.db2.gz XSHXZGUPONVCNV-KRWDZBQOSA-N 0 0 346.430 4.276 50 0 EIAARN Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000000179839 563253657 /nfs/dbraw/zinc/25/36/57/563253657.db2.gz ZHKIDRNEEXYPEE-UHFFFAOYSA-N 0 0 326.396 4.434 50 0 EIAARN COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000000190832 563256544 /nfs/dbraw/zinc/25/65/44/563256544.db2.gz HYQRHKWYLDADJU-NVNXTCNLSA-N 0 0 348.185 4.347 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000000191234 563256550 /nfs/dbraw/zinc/25/65/50/563256550.db2.gz ZKXNUEGPUBZQMT-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000000192181 563256932 /nfs/dbraw/zinc/25/69/32/563256932.db2.gz WLHMYCSUBNGRET-FMIVXFBMSA-N 0 0 336.416 4.471 50 0 biogenic EIAARN CCCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1C ZINC000000200833 563258671 /nfs/dbraw/zinc/25/86/71/563258671.db2.gz XPPSGYCNYGEOAU-INIZCTEOSA-N 0 0 335.451 4.370 50 0 EIAARN Cc1nn(C(=O)COc2ccccc2)c(C)c1Sc1ccccc1 ZINC000000202894 563259173 /nfs/dbraw/zinc/25/91/73/563259173.db2.gz NBPFQEFUKLKHAU-UHFFFAOYSA-N 0 0 338.432 4.370 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F ZINC000000208979 563260509 /nfs/dbraw/zinc/26/05/09/563260509.db2.gz BNPHZQNOWLCONN-UHFFFAOYSA-N 0 0 329.705 4.376 50 0 EIAARN O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000000226303 563263040 /nfs/dbraw/zinc/26/30/40/563263040.db2.gz ZMOJBMXRDLNHAM-GFCCVEGCSA-N 0 0 334.202 4.116 50 0 EIAARN CC1(C)Cc2ccccc2-c2nnc(-c3ccc4ccccc4n3)n21 ZINC000000241521 563265234 /nfs/dbraw/zinc/26/52/34/563265234.db2.gz JVNXINFPUCFCFH-UHFFFAOYSA-N 0 0 326.403 4.452 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000000250089 563266778 /nfs/dbraw/zinc/26/67/78/563266778.db2.gz ICXNBZUTYKMQGL-UHFFFAOYSA-N 0 0 338.190 4.422 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000000258939 563267938 /nfs/dbraw/zinc/26/79/38/563267938.db2.gz MYVCXBAVIDZXTG-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1 ZINC000000274053 563270286 /nfs/dbraw/zinc/27/02/86/563270286.db2.gz VKZHXBNQPRYKTD-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN Clc1ccc(Cl)c(CSc2nnnn2-c2ccccc2)c1 ZINC000000306584 563278037 /nfs/dbraw/zinc/27/80/37/563278037.db2.gz BWPHSBODKPYOHW-UHFFFAOYSA-N 0 0 337.235 4.261 50 0 EIAARN CCOC(=O)c1c(C)n(CCCc2ccccc2)c2ccc(O)cc21 ZINC000000306575 563278090 /nfs/dbraw/zinc/27/80/90/563278090.db2.gz YUWFWHVGFOBKSP-UHFFFAOYSA-N 0 0 337.419 4.465 50 0 EIAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000000307655 563278468 /nfs/dbraw/zinc/27/84/68/563278468.db2.gz HPXUMMZRFRLDPI-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN COc1ccc(/C=C/C(=O)NCc2ccc(C(C)C)cc2)cc1OC ZINC000000311721 563281354 /nfs/dbraw/zinc/28/13/54/563281354.db2.gz BSFPDODSYYOVJR-XYOKQWHBSA-N 0 0 339.435 4.157 50 0 EIAARN CCSc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000313870 563282020 /nfs/dbraw/zinc/28/20/20/563282020.db2.gz DXZYTMMNZKJTGG-UHFFFAOYSA-N 0 0 327.858 4.253 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(Br)cc1 ZINC000000319091 563284061 /nfs/dbraw/zinc/28/40/61/563284061.db2.gz SXVDEUXHAZQAEV-AWEZNQCLSA-N 0 0 346.268 4.129 50 0 EIAARN Cc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1C ZINC000000318786 563284063 /nfs/dbraw/zinc/28/40/63/563284063.db2.gz VPOCHVNRNLSMDG-UHFFFAOYSA-N 0 0 337.463 4.164 50 0 EIAARN O=C(COc1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000319697 563284254 /nfs/dbraw/zinc/28/42/54/563284254.db2.gz FVIMXSCBRNZFGF-UHFFFAOYSA-N 0 0 343.386 4.247 50 0 EIAARN O=C(Nc1ccccn1)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000327376 563284655 /nfs/dbraw/zinc/28/46/55/563284655.db2.gz WKPBIALGYQFOJI-SCCNAQOGSA-N 0 0 326.399 4.317 50 0 EIAARN COc1cccc(CNC(=O)c2sc3ccccc3c2Cl)c1 ZINC000000338734 563285962 /nfs/dbraw/zinc/28/59/62/563285962.db2.gz HHHXXYAHYGWNPE-UHFFFAOYSA-N 0 0 331.824 4.493 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000000355463 563290828 /nfs/dbraw/zinc/29/08/28/563290828.db2.gz SJAHVKIEZLKHDC-UHFFFAOYSA-N 0 0 347.443 4.474 50 0 EIAARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc3cccnc32)cc1 ZINC000000359242 563292261 /nfs/dbraw/zinc/29/22/61/563292261.db2.gz BSWRGCGDSSDFIP-LJQANCHMSA-N 0 0 336.416 4.022 50 0 EIAARN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccccc1F ZINC000000361366 563293801 /nfs/dbraw/zinc/29/38/01/563293801.db2.gz LXQWITCKYAAYFB-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(Br)cc2)c1 ZINC000000370692 563297396 /nfs/dbraw/zinc/29/73/96/563297396.db2.gz WILHWLIYWSUAKH-AWEZNQCLSA-N 0 0 346.268 4.486 50 0 EIAARN CCCc1nn(C)c(C(=O)Nc2cccc(Cl)c2C)c1Cl ZINC000000385497 563302226 /nfs/dbraw/zinc/30/22/26/563302226.db2.gz NCDBYHJTNLDNNI-UHFFFAOYSA-N 0 0 326.227 4.240 50 0 EIAARN O=c1nc(-c2cccnc2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000000387994 563303857 /nfs/dbraw/zinc/30/38/57/563303857.db2.gz XPELDDDBOGBLCE-UHFFFAOYSA-N 0 0 339.807 4.367 50 0 EIAARN O=C(NCc1ccccn1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000397335 563304841 /nfs/dbraw/zinc/30/48/41/563304841.db2.gz GOPZCIJMLIIDEF-UHFFFAOYSA-N 0 0 330.602 4.364 50 0 EIAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccc2c(c1)OCO2 ZINC000000397336 563304892 /nfs/dbraw/zinc/30/48/92/563304892.db2.gz BONKUOGXVMOKDE-UHFFFAOYSA-N 0 0 340.162 4.471 50 0 EIAARN COC(=O)N[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000000404179 563306318 /nfs/dbraw/zinc/30/63/18/563306318.db2.gz XKZUAVPCBIFLIB-FQEVSTJZSA-N 0 0 347.414 4.020 50 0 EIAARN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc3ccccc32)[NH2+]1 ZINC000000408721 563307733 /nfs/dbraw/zinc/30/77/33/563307733.db2.gz VZLUBLQTLIFDKP-PMACEKPBSA-N 0 0 342.398 4.009 50 0 biogenic EIAARN O=C1CS[C@H](c2ccc(F)cc2)N1c1ccc(F)c(Cl)c1 ZINC000000423741 563309873 /nfs/dbraw/zinc/30/98/73/563309873.db2.gz CSWNOJBBOGZOBI-OAHLLOKOSA-N 0 0 325.767 4.397 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1 ZINC000000426616 563310602 /nfs/dbraw/zinc/31/06/02/563310602.db2.gz RRFKKYPQIWITSK-CQSZACIVSA-N 0 0 340.423 4.281 50 0 EIAARN Cc1ccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)cc1F ZINC000000426726 563310712 /nfs/dbraw/zinc/31/07/12/563310712.db2.gz OSRQARQDNGAWFO-UHFFFAOYSA-N 0 0 347.187 4.043 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000000438496 563313369 /nfs/dbraw/zinc/31/33/69/563313369.db2.gz UNJRFYXXMVLQNN-OAHLLOKOSA-N 0 0 349.814 4.153 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@H](C)C2 ZINC000000442385 563314527 /nfs/dbraw/zinc/31/45/27/563314527.db2.gz FSXWSIRVIWAXFP-JTQLQIEISA-N 0 0 347.436 4.203 50 0 EIAARN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000442847 563314764 /nfs/dbraw/zinc/31/47/64/563314764.db2.gz JLBPVCFNHZJNFK-UHFFFAOYSA-N 0 0 346.235 4.193 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000000442665 563314811 /nfs/dbraw/zinc/31/48/11/563314811.db2.gz DEDCAMCUCHFFSL-UHFFFAOYSA-N 0 0 325.286 4.236 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000000452161 563321059 /nfs/dbraw/zinc/32/10/59/563321059.db2.gz QNOJCRJFQUCFTF-GFCCVEGCSA-N 0 0 330.428 4.466 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1C ZINC000000453611 563322221 /nfs/dbraw/zinc/32/22/21/563322221.db2.gz HYQGDERYXXIGHH-UHFFFAOYSA-N 0 0 342.464 4.217 50 0 EIAARN Cc1cccc(OCCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000000455465 563323636 /nfs/dbraw/zinc/32/36/36/563323636.db2.gz ARRMHSVGBXQBJJ-UHFFFAOYSA-N 0 0 339.313 4.301 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000000456931 563324598 /nfs/dbraw/zinc/32/45/98/563324598.db2.gz BURFHMZXWOSNMP-LBPRGKRZSA-N 0 0 334.213 4.164 50 0 EIAARN COC(=O)c1sccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000460577 563326063 /nfs/dbraw/zinc/32/60/63/563326063.db2.gz CDTZBYYMQZLWLC-UHFFFAOYSA-N 0 0 330.192 4.094 50 0 EIAARN CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OCC)cc1 ZINC000000466980 563328776 /nfs/dbraw/zinc/32/87/76/563328776.db2.gz NIICOXJXLOXIGV-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN Cc1cccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)n1 ZINC000000468826 563330081 /nfs/dbraw/zinc/33/00/81/563330081.db2.gz GMUAXJDSTMDQJP-UHFFFAOYSA-N 0 0 335.388 4.364 50 0 EIAARN COC(=O)Nc1ccc(-c2ccc(NC(=O)OC)c(C)c2)cc1C ZINC000000473876 563332858 /nfs/dbraw/zinc/33/28/58/563332858.db2.gz ZHIIOTCIPVLYDH-UHFFFAOYSA-N 0 0 328.368 4.327 50 0 EIAARN CCc1nnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)s1 ZINC000000475266 563333825 /nfs/dbraw/zinc/33/38/25/563333825.db2.gz ZLHKURREHJKKPY-GQCTYLIASA-N 0 0 328.224 4.059 50 0 EIAARN Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1C ZINC000000482322 563336704 /nfs/dbraw/zinc/33/67/04/563336704.db2.gz DYPGACLUSSXGMD-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1 ZINC000000483920 563337750 /nfs/dbraw/zinc/33/77/50/563337750.db2.gz KFAGUWAWGZOSNX-CYBMUJFWSA-N 0 0 333.815 4.384 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1Cl ZINC000000484069 563338023 /nfs/dbraw/zinc/33/80/23/563338023.db2.gz WJVXRLSXMNYXGW-MRVPVSSYSA-N 0 0 345.613 4.448 50 0 EIAARN Clc1ccc(-c2nn3c(nnc3-c3cccnc3)s2)c(Cl)c1 ZINC000000524759 563341057 /nfs/dbraw/zinc/34/10/57/563341057.db2.gz CDRKKUPUBGQDIA-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN CC(C)(C)c1ccc(-c2nn3c(nnc3-c3ccccn3)s2)cc1 ZINC000000525975 563341285 /nfs/dbraw/zinc/34/12/85/563341285.db2.gz LLTNVQNXMXIDKW-UHFFFAOYSA-N 0 0 335.436 4.212 50 0 EIAARN Cc1ccc(NC(=O)CC[C@@H]2COc3ccccc3O2)cc1Cl ZINC000000529194 563342010 /nfs/dbraw/zinc/34/20/10/563342010.db2.gz WJFOBLRITGGHBF-CQSZACIVSA-N 0 0 331.799 4.207 50 0 EIAARN Cc1cccc(-c2nnc3sc(-c4cccc(Cl)c4)nn32)c1 ZINC000000529820 563342389 /nfs/dbraw/zinc/34/23/89/563342389.db2.gz JBAARRBGMOEUAB-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN Clc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1 ZINC000000533525 563343103 /nfs/dbraw/zinc/34/31/03/563343103.db2.gz JIRYKPLMCWVTQX-UHFFFAOYSA-N 0 0 342.811 4.085 50 0 EIAARN CC(=O)Nc1c2cc(Cl)ccc2oc1C(=O)c1ccc(F)cc1 ZINC000000553200 563345117 /nfs/dbraw/zinc/34/51/17/563345117.db2.gz LIYBUVXNGKPRBP-UHFFFAOYSA-N 0 0 331.730 4.415 50 0 EIAARN Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000000561753 563347449 /nfs/dbraw/zinc/34/74/49/563347449.db2.gz DOHMKENCDAVGRQ-MRXNPFEDSA-N 0 0 341.414 4.247 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000000570282 563349465 /nfs/dbraw/zinc/34/94/65/563349465.db2.gz CQFYTEPRMYFPRB-UHFFFAOYSA-N 0 0 348.855 4.419 50 0 EIAARN O=C(Nc1cccc(NC(=O)c2ccccc2F)c1)c1cccs1 ZINC000000570484 563349622 /nfs/dbraw/zinc/34/96/22/563349622.db2.gz HBBSJJVEJGOEJL-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN Cc1cccn2c(NC(=O)Cc3ccccc3)c(-c3ccccc3)nc12 ZINC000000577161 563350791 /nfs/dbraw/zinc/35/07/91/563350791.db2.gz ALFIIIGLEVSZOP-UHFFFAOYSA-N 0 0 341.414 4.491 50 0 EIAARN CCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)c2ccccc12 ZINC000000608809 563352410 /nfs/dbraw/zinc/35/24/10/563352410.db2.gz YSMKCYSJBHGLHK-UHFFFAOYSA-N 0 0 347.480 4.192 50 0 EIAARN COc1ccc(NC(=S)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000000611782 563354798 /nfs/dbraw/zinc/35/47/98/563354798.db2.gz DDICPMOJIDCPAM-UHFFFAOYSA-N 0 0 330.453 4.438 50 0 EIAARN Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1Cl ZINC000000612540 563355317 /nfs/dbraw/zinc/35/53/17/563355317.db2.gz YRNFKSABFAEWRN-UHFFFAOYSA-N 0 0 343.839 4.111 50 0 EIAARN COc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1OC ZINC000000612173 563355338 /nfs/dbraw/zinc/35/53/38/563355338.db2.gz PHYXZCLZFCJMON-UHFFFAOYSA-N 0 0 328.437 4.001 50 0 EIAARN COc1ccc(C)cc1NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000612314 563355354 /nfs/dbraw/zinc/35/53/54/563355354.db2.gz LKKUSTHJAQCKNF-UHFFFAOYSA-N 0 0 338.451 4.490 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1Cl ZINC000000612817 563355736 /nfs/dbraw/zinc/35/57/36/563355736.db2.gz UBBVTPLKQHGABL-UHFFFAOYSA-N 0 0 339.844 4.273 50 0 EIAARN COc1cccc(OCCn2cc(C(=O)C3CC3)c3ccccc32)c1 ZINC000000614799 563357428 /nfs/dbraw/zinc/35/74/28/563357428.db2.gz GGPKBTRXJREPJQ-UHFFFAOYSA-N 0 0 335.403 4.322 50 0 EIAARN CN(C(=S)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000000615368 563357799 /nfs/dbraw/zinc/35/77/99/563357799.db2.gz LNTOHJUGFTWPBS-UHFFFAOYSA-N 0 0 326.465 4.135 50 0 EIAARN CCOc1ccc(Br)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000000617456 563359140 /nfs/dbraw/zinc/35/91/40/563359140.db2.gz MIKGXKORVQITLI-GFCCVEGCSA-N 0 0 348.240 4.339 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC ZINC000000618348 563360283 /nfs/dbraw/zinc/36/02/83/563360283.db2.gz SNBOURSLBIDDOW-UHFFFAOYSA-N 0 0 349.814 4.398 50 0 EIAARN Cc1nc2ccccc2n1C[C@H](O)COc1cc(C(C)C)ccc1C ZINC000000620029 563361369 /nfs/dbraw/zinc/36/13/69/563361369.db2.gz PBZDKVKIVUISFF-SFHVURJKSA-N 0 0 338.451 4.216 50 0 EIAARN O=C(Nc1ccccc1F)c1ccc(CSc2ncccn2)cc1 ZINC000000620141 563361637 /nfs/dbraw/zinc/36/16/37/563361637.db2.gz XDAKTQYHPQWKEF-UHFFFAOYSA-N 0 0 339.395 4.160 50 0 EIAARN CCC(CC)c1nnc(NC(=O)COc2ccc(Cl)cc2)s1 ZINC000000804703 563363823 /nfs/dbraw/zinc/36/38/23/563363823.db2.gz VOTVNSPBLMNZOJ-UHFFFAOYSA-N 0 0 339.848 4.113 50 0 EIAARN COc1ccc2nc(NC(=O)C[C@@H](C)c3ccccc3)sc2c1 ZINC000000860493 563365535 /nfs/dbraw/zinc/36/55/35/563365535.db2.gz WVYNMIOBQNQHKR-GFCCVEGCSA-N 0 0 326.421 4.437 50 0 EIAARN Cc1ccc(NC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)cc1 ZINC000000991364 563367326 /nfs/dbraw/zinc/36/73/26/563367326.db2.gz KJUGPXYSCGDONO-UHFFFAOYSA-N 0 0 344.414 4.429 50 0 EIAARN Clc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1 ZINC000001018224 563368995 /nfs/dbraw/zinc/36/89/95/563368995.db2.gz BAHUKPLREPIXDN-UHFFFAOYSA-N 0 0 326.812 4.097 50 0 EIAARN Cc1ccccc1CNC(=O)CSCc1c(F)cccc1Cl ZINC000001056711 563371487 /nfs/dbraw/zinc/37/14/87/563371487.db2.gz SORFEFIYDXQCOT-UHFFFAOYSA-N 0 0 337.847 4.337 50 0 EIAARN COc1cccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c1OC ZINC000001059594 563371837 /nfs/dbraw/zinc/37/18/37/563371837.db2.gz VEHCNYMSNUVVBG-MRXNPFEDSA-N 0 0 333.387 4.331 50 0 EIAARN Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccccc1Cl)C2 ZINC000001068613 563372898 /nfs/dbraw/zinc/37/28/98/563372898.db2.gz KTNAMBGSRYJGQY-LBPRGKRZSA-N 0 0 345.826 4.454 50 0 EIAARN Cn1nc(-c2ccccc2)c(CO)c1Oc1cccc(C(F)(F)F)c1 ZINC000001388787 563385354 /nfs/dbraw/zinc/38/53/54/563385354.db2.gz BDYYSWLLJJAPKD-UHFFFAOYSA-N 0 0 348.324 4.391 50 0 EIAARN COC(=O)c1ccccc1Sc1nc(SC)nc2ccsc21 ZINC000001394046 563386043 /nfs/dbraw/zinc/38/60/43/563386043.db2.gz GLGWQFOEWVDXSH-UHFFFAOYSA-N 0 0 348.474 4.351 50 0 EIAARN COC(=O)c1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000001398156 563386967 /nfs/dbraw/zinc/38/69/67/563386967.db2.gz BJQIYBHNORLBKC-UHFFFAOYSA-N 0 0 343.766 4.361 50 0 EIAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2O1 ZINC000001461522 563390344 /nfs/dbraw/zinc/39/03/44/563390344.db2.gz GMQRAQJBGAMUKL-OAQYLSRUSA-N 0 0 332.403 4.194 50 0 EIAARN O=C(COC(=O)c1ccccc1O)c1ccc(-c2ccccc2)cc1 ZINC000001705397 563405499 /nfs/dbraw/zinc/40/54/99/563405499.db2.gz PTEGBOQTRCNNLL-UHFFFAOYSA-N 0 0 332.355 4.099 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000001753701 563409502 /nfs/dbraw/zinc/40/95/02/563409502.db2.gz YXOVOPYRLUXDHO-UHFFFAOYSA-N 0 0 349.356 4.060 50 0 EIAARN O=C(CCCOc1ccccc1)Nc1cccc(Br)c1 ZINC000001779460 563411882 /nfs/dbraw/zinc/41/18/82/563411882.db2.gz XZJKNFBOFWFORT-UHFFFAOYSA-N 0 0 334.213 4.247 50 0 EIAARN CC(C)OC(=O)N[C@@H](Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000001893157 563415708 /nfs/dbraw/zinc/41/57/08/563415708.db2.gz PICJRVTYPNGTPI-SNVBAGLBSA-N 0 0 343.613 4.069 50 0 EIAARN CCCCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000002055574 563420147 /nfs/dbraw/zinc/42/01/47/563420147.db2.gz PCOZCGXCKRLIES-PDGQHHTCSA-N 0 0 339.366 4.349 50 0 EIAARN CCCOC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2OC)c1 ZINC000002069738 563421081 /nfs/dbraw/zinc/42/10/81/563421081.db2.gz YZXZEMYZODXIPY-UHFFFAOYSA-N 0 0 347.798 4.168 50 0 EIAARN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000002136131 563423286 /nfs/dbraw/zinc/42/32/86/563423286.db2.gz JUKJYSKTPRSRFL-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN Cc1nnc(SCCCc2ccccc2)n1-c1ccc(F)cc1 ZINC000002128439 563423310 /nfs/dbraw/zinc/42/33/10/563423310.db2.gz DUYNDKMLBHJCAV-UHFFFAOYSA-N 0 0 327.428 4.440 50 0 EIAARN Cc1cccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn32)c1 ZINC000002183280 563425989 /nfs/dbraw/zinc/42/59/89/563425989.db2.gz YVHBTKXSASPEFM-UHFFFAOYSA-N 0 0 340.839 4.405 50 0 EIAARN O=C(c1ccc(Cl)cc1)c1cccc(I)c1 ZINC000002392541 563431222 /nfs/dbraw/zinc/43/12/22/563431222.db2.gz QTQRRDGLXXELQP-UHFFFAOYSA-N 0 0 342.563 4.176 50 0 EIAARN O=C(c1ccc(I)cc1)c1ccccc1Cl ZINC000002392542 563431265 /nfs/dbraw/zinc/43/12/65/563431265.db2.gz CCYWIUYLHBLQIK-UHFFFAOYSA-N 0 0 342.563 4.176 50 0 EIAARN CCOC(=O)CCCCCCC(=O)c1cccc(CN2CC=CC2)c1 ZINC000002515432 563436697 /nfs/dbraw/zinc/43/66/97/563436697.db2.gz WUXCROYQIJAEIL-UHFFFAOYSA-N 0 0 343.467 4.145 50 0 EIAARN CC1(C)COC(CCCC(=O)c2cc(F)c(F)cc2Cl)OC1 ZINC000002518173 563438401 /nfs/dbraw/zinc/43/84/01/563438401.db2.gz JGLMUBQVZBXFNV-UHFFFAOYSA-N 0 0 332.774 4.370 50 0 EIAARN COC(=O)c1sc(-c2ccc(OCc3ccccc3)cc2)cc1N ZINC000002528656 563439716 /nfs/dbraw/zinc/43/97/16/563439716.db2.gz YIMYASTXYWDVQA-UHFFFAOYSA-N 0 0 339.416 4.363 50 0 EIAARN CCSc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002571054 563442538 /nfs/dbraw/zinc/44/25/38/563442538.db2.gz UTLZLFKYQPMAOQ-UHFFFAOYSA-N 0 0 342.342 4.345 50 0 EIAARN Cc1ccc(C(=O)COc2ccc3c(c2)oc(=O)c2c3CCCC2)cc1 ZINC000002606412 563444462 /nfs/dbraw/zinc/44/44/62/563444462.db2.gz STTSFIGNYHKPEO-UHFFFAOYSA-N 0 0 348.398 4.242 50 0 EIAARN CCc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000002713247 563446595 /nfs/dbraw/zinc/44/65/95/563446595.db2.gz QDBKRTUAUMAZDP-UHFFFAOYSA-N 0 0 334.423 4.007 50 0 EIAARN O=C1c2ccccc2[C@H]2N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000002785818 563450844 /nfs/dbraw/zinc/45/08/44/563450844.db2.gz BLMZEXAIXSZDJW-HXUWFJFHSA-N 0 0 340.382 4.002 50 0 EIAARN COc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(C)cc1 ZINC000002857525 563456369 /nfs/dbraw/zinc/45/63/69/563456369.db2.gz AXQZTRFJDKEJEE-UHFFFAOYSA-N 0 0 341.476 4.354 50 0 EIAARN Cc1ccc(SCCC(=O)NCCSCc2ccco2)cc1 ZINC000002857047 563456380 /nfs/dbraw/zinc/45/63/80/563456380.db2.gz XCJZGCWRJSUESS-UHFFFAOYSA-N 0 0 335.494 4.120 50 0 EIAARN O=C(NCc1ccco1)C1(c2ccc(Br)cc2)CCCC1 ZINC000002861661 563457041 /nfs/dbraw/zinc/45/70/41/563457041.db2.gz ABEPCXXQUHYGDV-UHFFFAOYSA-N 0 0 348.240 4.170 50 0 EIAARN Cc1cccc2sc(NC(=O)CSCc3ccccc3)nc21 ZINC000002865501 563458080 /nfs/dbraw/zinc/45/80/80/563458080.db2.gz DANKWMVUMSFTLF-UHFFFAOYSA-N 0 0 328.462 4.477 50 0 EIAARN O=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccccc2)cc1 ZINC000002868660 563458677 /nfs/dbraw/zinc/45/86/77/563458677.db2.gz VBOHFFMFNFVNFS-UHFFFAOYSA-N 0 0 343.382 4.029 50 0 EIAARN Fc1ccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn32)cc1 ZINC000002876556 563459728 /nfs/dbraw/zinc/45/97/28/563459728.db2.gz QIQWLYMHQNWPRI-UHFFFAOYSA-N 0 0 344.802 4.236 50 0 EIAARN CCc1ccccc1NC(=O)[C@H](C)N1c2cccc3cccc(c23)C1=O ZINC000002879364 563460421 /nfs/dbraw/zinc/46/04/21/563460421.db2.gz KMMLFOOZFSUDEZ-AWEZNQCLSA-N 0 0 344.414 4.390 50 0 EIAARN Cc1cccc(-c2noc(CCCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000002885204 563461750 /nfs/dbraw/zinc/46/17/50/563461750.db2.gz OKSJWMZYQVZCDD-UHFFFAOYSA-N 0 0 339.370 4.146 50 0 EIAARN CCCCOCCCNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002991652 563468152 /nfs/dbraw/zinc/46/81/52/563468152.db2.gz HILFERQWKQLJLJ-UHFFFAOYSA-N 0 0 339.435 4.247 50 0 EIAARN CCCC[C@H](CC)CNC(=O)Cc1ccc(Br)cc1 ZINC000002991761 563468198 /nfs/dbraw/zinc/46/81/98/563468198.db2.gz ZPHLGJLDEASSBL-ZDUSSCGKSA-N 0 0 326.278 4.324 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1 ZINC000003000256 563469200 /nfs/dbraw/zinc/46/92/00/563469200.db2.gz UZSWYDBHQOQHGU-UHFFFAOYSA-N 0 0 329.396 4.135 50 0 EIAARN O=C(c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)N1CCCCC1 ZINC000034831057 563478501 /nfs/dbraw/zinc/47/85/01/563478501.db2.gz KOLOALXWAISTGT-UHFFFAOYSA-N 0 0 339.826 4.281 50 0 EIAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)COc1ccc(Cl)cc1 ZINC000034791942 563479262 /nfs/dbraw/zinc/47/92/62/563479262.db2.gz WEDQYPOQTYBWJG-UHFFFAOYSA-N 0 0 341.798 4.056 50 0 EIAARN CCCc1[nH]nc(-c2cccs2)c1NC(=O)c1cccc(F)c1 ZINC000034796476 563480598 /nfs/dbraw/zinc/48/05/98/563480598.db2.gz VIADCUQCZATCQA-UHFFFAOYSA-N 0 0 329.400 4.482 50 0 EIAARN CCCC(=O)Nc1c(-c2cccc(F)c2F)nc2cc(C)ccn21 ZINC000034914965 563484271 /nfs/dbraw/zinc/48/42/71/563484271.db2.gz MFYQDEQRZGXDJB-UHFFFAOYSA-N 0 0 329.350 4.327 50 0 EIAARN CC[C@H](C)NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nn1CC ZINC000034903268 563484280 /nfs/dbraw/zinc/48/42/80/563484280.db2.gz MALXKALCFGUVGA-NSHDSACASA-N 0 0 339.361 4.117 50 0 EIAARN CCc1nnc([C@@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)o1 ZINC000071893916 563487952 /nfs/dbraw/zinc/48/79/52/563487952.db2.gz IIYWJUNJRVDQHO-SNVBAGLBSA-N 0 0 349.847 4.028 50 0 EIAARN Cc1cccc(N2CCN(C(=O)CCC3CCCCC3)CC2)c1C ZINC000004711180 563508682 /nfs/dbraw/zinc/50/86/82/563508682.db2.gz KVWQRIQLXREWOA-UHFFFAOYSA-N 0 0 328.500 4.313 50 0 EIAARN c1ccc(Oc2cccc(CN3CCN(c4ccccn4)CC3)c2)cc1 ZINC000004977645 563516618 /nfs/dbraw/zinc/51/66/18/563516618.db2.gz SHSUSFFGWQNNFQ-UHFFFAOYSA-N 0 0 345.446 4.196 50 0 EIAARN Cc1nn2c(nc(C(C)(C)C)cc2-n2ccnc2)c1-c1ccccc1 ZINC000005206724 563522982 /nfs/dbraw/zinc/52/29/82/563522982.db2.gz JTZBFAQRSOPYPU-UHFFFAOYSA-N 0 0 331.423 4.188 50 0 EIAARN C[C@@H](O)C[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000005323344 563526506 /nfs/dbraw/zinc/52/65/06/563526506.db2.gz ZSJFLHASBREOPB-OAHLLOKOSA-N 0 0 339.410 4.028 50 0 EIAARN O=C(NCc1ccccc1)c1cccnc1-c1nc2ccccc2s1 ZINC000005427152 563532327 /nfs/dbraw/zinc/53/23/27/563532327.db2.gz QJGJNIBUNIGZIK-UHFFFAOYSA-N 0 0 345.427 4.288 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc(N2CCCC2=O)c1 ZINC000005440617 563532842 /nfs/dbraw/zinc/53/28/42/563532842.db2.gz QYCLTGOAOMNMOZ-UHFFFAOYSA-N 0 0 329.787 4.111 50 0 EIAARN CCOc1ccc(C(=O)Nc2sc(C)c(CC)c2C(=O)OC)cc1 ZINC000005477175 563534303 /nfs/dbraw/zinc/53/43/03/563534303.db2.gz YGMOZQHYKROPNZ-UHFFFAOYSA-N 0 0 347.436 4.057 50 0 EIAARN COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000005540997 563538102 /nfs/dbraw/zinc/53/81/02/563538102.db2.gz UBBRWYJKIBNMBP-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccncc1 ZINC000005636401 563543648 /nfs/dbraw/zinc/54/36/48/563543648.db2.gz ARRLGLCWYFHJIH-MNOVXSKESA-N 0 0 339.222 4.033 50 0 EIAARN O=C1C[C@H](c2cccc(F)c2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000005886384 563553313 /nfs/dbraw/zinc/55/33/13/563553313.db2.gz YRESJNCXKRKYGY-CQSZACIVSA-N 0 0 341.773 4.343 50 0 EIAARN COc1ccc(NC(=O)N2Cc3ccccc3C2)cc1Br ZINC000071902351 563553447 /nfs/dbraw/zinc/55/34/47/563553447.db2.gz KTHUIZVGRCLYMY-UHFFFAOYSA-N 0 0 347.212 4.005 50 0 EIAARN COc1ccc([C@H](C)Nc2ccc(N3CCOC3=O)cc2)cc1Cl ZINC000071902559 563555459 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c1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)s2)cc1 ZINC000006597366 563574371 /nfs/dbraw/zinc/57/43/71/563574371.db2.gz JIGDDHVWHPYIHV-HNNXBMFYSA-N 0 0 342.445 4.343 50 0 EIAARN Cn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1ccco1 ZINC000002433947 563575563 /nfs/dbraw/zinc/57/55/63/563575563.db2.gz JTTMFRKBNODIRN-UHFFFAOYSA-N 0 0 344.370 4.051 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccc(Br)cc2Cl)nc1 ZINC000006699924 563579409 /nfs/dbraw/zinc/57/94/09/563579409.db2.gz WDRKSZIODIPMEU-UHFFFAOYSA-N 0 0 340.608 4.450 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cnnc2)cc1Cl ZINC000006702318 563580476 /nfs/dbraw/zinc/58/04/76/563580476.db2.gz IKSFFUVFFHAYAG-UHFFFAOYSA-N 0 0 347.205 4.135 50 0 EIAARN CCN1C(=S)N=NC1c1cc(-c2ccccc2)nc2ccccc21 ZINC000006711015 563581602 /nfs/dbraw/zinc/58/16/02/563581602.db2.gz XBTFCQSPUNFKBO-UHFFFAOYSA-N 0 0 332.432 4.469 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000006714926 563581997 /nfs/dbraw/zinc/58/19/97/563581997.db2.gz LPYPCBSVGRKSCX-UHFFFAOYSA-N 0 0 347.821 4.142 50 0 EIAARN CCc1nnc2c(Nc3ccc(F)c(Cl)c3)nc3ccccc3n12 ZINC000006901702 563591427 /nfs/dbraw/zinc/59/14/27/563591427.db2.gz KWCODQUIOKOXFZ-UHFFFAOYSA-N 0 0 341.777 4.376 50 0 EIAARN CC(C)Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000002570958 563593122 /nfs/dbraw/zinc/59/31/22/563593122.db2.gz BCHAIBKMOIIFTL-JXMROGBWSA-N 0 0 337.419 4.308 50 0 EIAARN O=C(c1cnc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000002653994 563599083 /nfs/dbraw/zinc/59/90/83/563599083.db2.gz RIGPAIZXGLFGDX-UHFFFAOYSA-N 0 0 349.261 4.483 50 0 EIAARN CCCC(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002667177 563601511 /nfs/dbraw/zinc/60/15/11/563601511.db2.gz XMAAIXPCMMRPKL-NSHDSACASA-N 0 0 344.069 4.365 50 0 EIAARN Cc1cc(Cl)cc2sc(NC(=O)COc3ccccc3)nc21 ZINC000002713984 563606842 /nfs/dbraw/zinc/60/68/42/563606842.db2.gz NWDXJSVJOKVFED-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN CCCCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000002760547 563610092 /nfs/dbraw/zinc/61/00/92/563610092.db2.gz JYDSDXAPZJQOCD-UHFFFAOYSA-N 0 0 329.465 4.171 50 0 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CC(C)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000012980226 563681320 /nfs/dbraw/zinc/68/13/20/563681320.db2.gz HBWPEDPSDIQXGU-UHFFFAOYSA-N 0 0 325.408 4.153 50 0 EIAARN CCOc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1OC ZINC000012982953 563681594 /nfs/dbraw/zinc/68/15/94/563681594.db2.gz VRFMUFBLOVORKY-OAHLLOKOSA-N 0 0 327.424 4.202 50 0 EIAARN CC[C@H]1c2ccsc2CCN1CC(=O)N[C@@H](C)c1ccccc1C ZINC000012982551 563681606 /nfs/dbraw/zinc/68/16/06/563681606.db2.gz ZYHCYGGAYWKPTD-YJBOKZPZSA-N 0 0 342.508 4.243 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1ccc(C)c(F)c1)O[C@@H](C)C2 ZINC000012995557 563683333 /nfs/dbraw/zinc/68/33/33/563683333.db2.gz OWAXWOPIGSKANU-LBPRGKRZSA-N 0 0 329.371 4.109 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=S)N3[C@H](C)CCC[C@@H]3C)ccc12 ZINC000013081303 563687319 /nfs/dbraw/zinc/68/73/19/563687319.db2.gz CEIOOOQFRWKQHS-BETUJISGSA-N 0 0 330.453 4.061 50 0 EIAARN Oc1ccccc1-c1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000013126828 563689612 /nfs/dbraw/zinc/68/96/12/563689612.db2.gz GZWCZSTVVPDXEP-UHFFFAOYSA-N 0 0 337.162 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/nfs/dbraw/zinc/88/29/60/563882960.db2.gz GIUJSSMJCVMNGT-ZDUSSCGKSA-N 0 0 342.489 4.156 50 0 EIAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)c(Cl)c1 ZINC000025368321 563884086 /nfs/dbraw/zinc/88/40/86/563884086.db2.gz IFVGAZUAMRPDOQ-ZDUSSCGKSA-N 0 0 341.885 4.236 50 0 EIAARN CONC(=O)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000025823224 563888658 /nfs/dbraw/zinc/88/86/58/563888658.db2.gz JPPZCAQGMSWTKV-UHFFFAOYSA-N 0 0 328.371 4.346 50 0 EIAARN O=C(C[C@@H]1C=CCC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000025910469 563889278 /nfs/dbraw/zinc/88/92/78/563889278.db2.gz JKPZOIDHCSJDSS-HUUCEWRRSA-N 0 0 342.464 4.165 50 0 EIAARN COc1cccc2c1N(Cc1cc(Cl)cc3c1OCOC3)CCC2 ZINC000026338417 563891118 /nfs/dbraw/zinc/89/11/18/563891118.db2.gz FTBUBWZOBDZKAC-UHFFFAOYSA-N 0 0 345.826 4.168 50 0 EIAARN COc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)c1 ZINC000026894636 563893939 /nfs/dbraw/zinc/89/39/39/563893939.db2.gz GICRIQQPXPKWNB-SJORKVTESA-N 0 0 340.814 4.086 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc(C)n(CC)c1C)O[C@H](C)C2 ZINC000027165935 563894870 /nfs/dbraw/zinc/89/48/70/563894870.db2.gz VGLCEIWAPHXPQZ-CYBMUJFWSA-N 0 0 342.439 4.099 50 0 EIAARN O=c1c2ccccc2[nH]c(=S)n1-c1ccc2oc(C3CC3)nc2c1 ZINC000027223886 563895006 /nfs/dbraw/zinc/89/50/06/563895006.db2.gz ABEQUYOQBOLGCF-UHFFFAOYSA-N 0 0 335.388 4.067 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1csc(C)n1 ZINC000072271603 563896325 /nfs/dbraw/zinc/89/63/25/563896325.db2.gz MCKSDBNGIKTBJZ-QMTHXVAHSA-N 0 0 335.498 4.293 50 0 EIAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccccc2)no1 ZINC000027740235 563899022 /nfs/dbraw/zinc/89/90/22/563899022.db2.gz DMXYWGRRPGNRIE-QGZVFWFLSA-N 0 0 340.354 4.277 50 0 EIAARN COc1cccc(C(=O)N(Cc2ccccc2F)c2ccccn2)c1 ZINC000027992409 563900876 /nfs/dbraw/zinc/90/08/76/563900876.db2.gz NOIOCKSKPOKKKG-UHFFFAOYSA-N 0 0 336.366 4.076 50 0 EIAARN CCCC(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1 ZINC000028048107 563901424 /nfs/dbraw/zinc/90/14/24/563901424.db2.gz OJXQYQIJCBKZIR-LJQANCHMSA-N 0 0 342.826 4.010 50 0 EIAARN Cc1ccc(Cn2nccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000028291481 563902137 /nfs/dbraw/zinc/90/21/37/563902137.db2.gz OULQZTDRGFOOKJ-UHFFFAOYSA-N 0 0 349.478 4.395 50 0 EIAARN Cc1ccc(Cn2nccc2NC(=O)c2ccccc2Cl)cc1 ZINC000028403616 563902812 /nfs/dbraw/zinc/90/28/12/563902812.db2.gz BJULRRLMISWIIY-UHFFFAOYSA-N 0 0 325.799 4.146 50 0 EIAARN CCc1cccc(C)c1NC(=O)Nc1cccc(COCCOC)c1 ZINC000072282497 563905619 /nfs/dbraw/zinc/90/56/19/563905619.db2.gz GJZVNRYISMPXEA-UHFFFAOYSA-N 0 0 342.439 4.364 50 0 EIAARN C[C@H]1c2cccn2CCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000029378991 563905893 /nfs/dbraw/zinc/90/58/93/563905893.db2.gz LNNCKMTUNRQKFN-INIZCTEOSA-N 0 0 332.403 4.497 50 0 EIAARN Cc1cc(OC(F)F)c(C(=O)Nc2c(C)nn(C(C)C)c2C)s1 ZINC000072284650 563906179 /nfs/dbraw/zinc/90/61/79/563906179.db2.gz MTNWGRVGISCTMX-UHFFFAOYSA-N 0 0 343.399 4.304 50 0 EIAARN C[C@H]1CCCN(C(=O)c2c3c(sc2-n2cccc2)CCCC3)C1 ZINC000029509761 563907099 /nfs/dbraw/zinc/90/70/99/563907099.db2.gz VONGUDKHHJTQCL-AWEZNQCLSA-N 0 0 328.481 4.290 50 0 EIAARN Cc1ccc2[nH]c(S[C@H](C)c3nc(-c4ccco4)no3)nc2c1 ZINC000029738135 563908187 /nfs/dbraw/zinc/90/81/87/563908187.db2.gz OJMUJKBIMJSGFD-SNVBAGLBSA-N 0 0 326.381 4.368 50 0 EIAARN Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2O)c1C1CC1 ZINC000029763537 563908442 /nfs/dbraw/zinc/90/84/42/563908442.db2.gz JDQQUGMHFPQWSZ-UHFFFAOYSA-N 0 0 333.391 4.016 50 0 EIAARN Cc1ccc(O)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000029794647 563908523 /nfs/dbraw/zinc/90/85/23/563908523.db2.gz FEMSTQHMKGGGID-UHFFFAOYSA-N 0 0 349.415 4.329 50 0 EIAARN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(Oc2ccccc2)c1 ZINC000029835653 563908635 /nfs/dbraw/zinc/90/86/35/563908635.db2.gz FPELRLVPPMEICH-UHFFFAOYSA-N 0 0 346.342 4.166 50 0 EIAARN Clc1c2ccccc2sc1CSc1nc2ncccn2n1 ZINC000029919259 563908895 /nfs/dbraw/zinc/90/88/95/563908895.db2.gz PWKYNQXVWARFRS-UHFFFAOYSA-N 0 0 332.841 4.285 50 0 EIAARN CC[C@@H](C)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000072291481 563909010 /nfs/dbraw/zinc/90/90/10/563909010.db2.gz PVTLIXLOVACHPV-CYBMUJFWSA-N 0 0 330.453 4.005 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)nc1 ZINC000030009477 563909202 /nfs/dbraw/zinc/90/92/02/563909202.db2.gz WTGQQUJPJDAJHU-KGLIPLIRSA-N 0 0 327.428 4.043 50 0 EIAARN CCOCc1ccccc1CNC(=O)c1sccc1-n1cccc1 ZINC000030177862 563909581 /nfs/dbraw/zinc/90/95/81/563909581.db2.gz HLKIOPNPMBHFBQ-UHFFFAOYSA-N 0 0 340.448 4.005 50 0 EIAARN Cc1cccc(Cn2nccc2NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000030527961 563909976 /nfs/dbraw/zinc/90/99/76/563909976.db2.gz WIMGVXAETPNWPU-UHFFFAOYSA-N 0 0 349.434 4.279 50 0 EIAARN CSc1ccc(CN[C@@H](c2nccn2C)c2ccccc2F)cc1 ZINC000030645920 563910122 /nfs/dbraw/zinc/91/01/22/563910122.db2.gz PUVZJQBILNLXQH-GOSISDBHSA-N 0 0 341.455 4.160 50 0 EIAARN Cn1ccnc1[C@H](NCc1ccccc1Cl)c1ccc(F)cc1 ZINC000030644310 563910137 /nfs/dbraw/zinc/91/01/37/563910137.db2.gz ZKJDGWXURFSCAZ-QGZVFWFLSA-N 0 0 329.806 4.092 50 0 EIAARN Cc1sc(-c2ccco2)nc1C(=O)NCC1(c2ccccc2)CC1 ZINC000030621120 563910176 /nfs/dbraw/zinc/91/01/76/563910176.db2.gz JPYAZGFBTPAVCH-UHFFFAOYSA-N 0 0 338.432 4.173 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000072292589 563910343 /nfs/dbraw/zinc/91/03/43/563910343.db2.gz QYVPCWMODSVWJC-SFHVURJKSA-N 0 0 349.438 4.272 50 0 EIAARN Cc1nc(-c2c[nH]c(C(=O)N(Cc3cccs3)C3CC3)c2)cs1 ZINC000030841245 563910928 /nfs/dbraw/zinc/91/09/28/563910928.db2.gz DYSVWMAVJKXCKZ-UHFFFAOYSA-N 0 0 343.477 4.313 50 0 EIAARN CCC(CC)c1cc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)on1 ZINC000072295264 563912087 /nfs/dbraw/zinc/91/20/87/563912087.db2.gz AJAYLTYBGCEIQU-GFCCVEGCSA-N 0 0 346.427 4.086 50 0 EIAARN CC(C)[C@H](C)Nc1ccc(Cl)c(C(=O)NCc2ccncc2)c1 ZINC000072295998 563912221 /nfs/dbraw/zinc/91/22/21/563912221.db2.gz KBPZUWUNAKGQOC-ZDUSSCGKSA-N 0 0 331.847 4.121 50 0 EIAARN Cc1cc(CC(=O)N2CCCC[C@@H]2c2nc(C(C)(C)C)cs2)no1 ZINC000072298590 563912401 /nfs/dbraw/zinc/91/24/01/563912401.db2.gz KNWACMQKHBFTHB-CQSZACIVSA-N 0 0 347.484 4.033 50 0 EIAARN FC(F)(F)c1ccc(Cl)c(-c2nn3c(nnc3C3CC3)s2)c1 ZINC000032092320 563913262 /nfs/dbraw/zinc/91/32/62/563913262.db2.gz LSCFHBXHDISQAH-UHFFFAOYSA-N 0 0 344.749 4.402 50 0 EIAARN CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1c1ncc(Br)cn1 ZINC000072302488 563914226 /nfs/dbraw/zinc/91/42/26/563914226.db2.gz QKVDNDQCXUJFCD-CVEARBPZSA-N 0 0 346.272 4.320 50 0 EIAARN CC(C)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 ZINC000033088846 563915247 /nfs/dbraw/zinc/91/52/47/563915247.db2.gz KVIMPGXSKHMNKW-AWEZNQCLSA-N 0 0 346.430 4.494 50 0 EIAARN CC(C)NC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258004 563915435 /nfs/dbraw/zinc/91/54/35/563915435.db2.gz IFJKPOBDYJZDLZ-UHFFFAOYSA-N 0 0 332.407 4.025 50 0 EIAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c(F)c1 ZINC000071287930 563916048 /nfs/dbraw/zinc/91/60/48/563916048.db2.gz DRWJFBVTHZFVBA-AWEZNQCLSA-N 0 0 335.404 4.203 50 0 EIAARN CC[C@@H](NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1)c1cccs1 ZINC000177435147 563916144 /nfs/dbraw/zinc/91/61/44/563916144.db2.gz JHFQKAQWDOPFOT-OLZOCXBDSA-N 0 0 348.472 4.252 50 0 EIAARN Cc1ccc2[nH]c(CCc3ccc(NC(=O)C4CCC4)cc3)nc2c1 ZINC000032960919 563916760 /nfs/dbraw/zinc/91/67/60/563916760.db2.gz MQNHOWLFNXQNIB-UHFFFAOYSA-N 0 0 333.435 4.395 50 0 EIAARN CCC(=O)Nc1nc2c(cc(NC(=O)C3CCCCC3)cc2C)s1 ZINC000032961326 563916766 /nfs/dbraw/zinc/91/67/66/563916766.db2.gz XBZPKYVNQYSCOA-UHFFFAOYSA-N 0 0 345.468 4.472 50 0 EIAARN CCOc1ccccc1CNC(=O)c1cc(C)nc2c(C)cccc12 ZINC000032961553 563916792 /nfs/dbraw/zinc/91/67/92/563916792.db2.gz RYXXAHPBVLHXTF-UHFFFAOYSA-N 0 0 334.419 4.180 50 0 EIAARN CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3C)cc21 ZINC000001210108 563917808 /nfs/dbraw/zinc/91/78/08/563917808.db2.gz QUEIDYGHVXRDDN-UHFFFAOYSA-N 0 0 343.404 4.053 50 0 EIAARN Fc1ccc(C2=CCN(Cc3ccc(Br)o3)CC2)cc1 ZINC000023280348 563918274 /nfs/dbraw/zinc/91/82/74/563918274.db2.gz ZNMBZSHECFSJMU-UHFFFAOYSA-N 0 0 336.204 4.471 50 0 EIAARN C[S@](=O)c1c(Cl)cccc1NC(=O)c1ccc(F)cc1Cl ZINC000072310012 563918428 /nfs/dbraw/zinc/91/84/28/563918428.db2.gz ATSCREHLBLGCMN-OAQYLSRUSA-N 0 0 346.210 4.122 50 0 EIAARN O[C@@H](COCc1ccc(Cl)cc1)CSc1nc2ccccc2o1 ZINC000023114699 563918670 /nfs/dbraw/zinc/91/86/70/563918670.db2.gz USIXDUHOMCFEAM-AWEZNQCLSA-N 0 0 349.839 4.151 50 0 EIAARN CC(NC(=O)NCCC1=CCCCC1)(C(F)(F)F)C(F)(F)F ZINC000003613217 563918830 /nfs/dbraw/zinc/91/88/30/563918830.db2.gz SRHUBBOHZZPAIW-UHFFFAOYSA-N 0 0 332.288 4.059 50 0 EIAARN CCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(=O)CC(C)(C)C ZINC000034794085 563919628 /nfs/dbraw/zinc/91/96/28/563919628.db2.gz JJTCRKMTWROCSG-UHFFFAOYSA-N 0 0 345.443 4.031 50 0 EIAARN CCOC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034800300 563919738 /nfs/dbraw/zinc/91/97/38/563919738.db2.gz CAFYNMFIEFNYRA-UHFFFAOYSA-N 0 0 345.442 4.131 50 0 EIAARN O=C(NC1CCCCCC1)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000032971454 563920132 /nfs/dbraw/zinc/92/01/32/563920132.db2.gz ZDWHGMPKJYNDPR-UHFFFAOYSA-N 0 0 325.412 4.067 50 0 EIAARN COc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)N3CCCC3)cc21 ZINC000032986766 563920721 /nfs/dbraw/zinc/92/07/21/563920721.db2.gz NFKMPPBQXLKQCN-UHFFFAOYSA-N 0 0 346.430 4.455 50 0 EIAARN Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cccc(Cl)c3)n2)c1 ZINC000013495262 563921165 /nfs/dbraw/zinc/92/11/65/563921165.db2.gz OCQYWOAWGCQTIV-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(F)c1 ZINC000075402872 563921503 /nfs/dbraw/zinc/92/15/03/563921503.db2.gz NWYYEAUKZFVVIL-UHFFFAOYSA-N 0 0 343.379 4.419 50 0 EIAARN CC(C)c1csc(-c2ccc(CNC(=O)c3ccncc3)cc2)n1 ZINC000097938130 563922891 /nfs/dbraw/zinc/92/28/91/563922891.db2.gz FCIONAWUCBLZSJ-UHFFFAOYSA-N 0 0 337.448 4.259 50 0 EIAARN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccccc1Cl ZINC000044900805 563927767 /nfs/dbraw/zinc/92/77/67/563927767.db2.gz WXQDZTPGLICBBV-MRXNPFEDSA-N 0 0 341.798 4.320 50 0 EIAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1)N1CCCC1 ZINC000033020632 563929019 /nfs/dbraw/zinc/92/90/19/563929019.db2.gz MFUVCUXIQAFUDL-UHFFFAOYSA-N 0 0 336.460 4.484 50 0 EIAARN Cn1ccc2c1cccc2C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000071862932 563929280 /nfs/dbraw/zinc/92/92/80/563929280.db2.gz WOWJTZZDLYSVNZ-UHFFFAOYSA-N 0 0 340.467 4.132 50 0 EIAARN Cc1nc(Cc2nnc(S[C@H]3CCc4ccc(F)cc43)o2)cs1 ZINC000072312855 563929419 /nfs/dbraw/zinc/92/94/19/563929419.db2.gz BBPJHAVLVZKCRE-AWEZNQCLSA-N 0 0 347.440 4.344 50 0 EIAARN Cc1ccoc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000071884316 563929785 /nfs/dbraw/zinc/92/97/85/563929785.db2.gz FCXDLGRWVDQZSY-UHFFFAOYSA-N 0 0 340.404 4.083 50 0 EIAARN COCCN(C(=S)Nc1ccc(C)c(C)c1)[C@@H](C)c1ccco1 ZINC000013543431 563929857 /nfs/dbraw/zinc/92/98/57/563929857.db2.gz VXBJAJNAEFZEHR-HNNXBMFYSA-N 0 0 332.469 4.303 50 0 EIAARN FC(F)Oc1ccc(-c2nc3c[nH]n(Cc4cccs4)c-3n2)cc1 ZINC000048194423 563930132 /nfs/dbraw/zinc/93/01/32/563930132.db2.gz CHGNHXSFGYYGKJ-UHFFFAOYSA-N 0 0 346.362 4.138 50 0 EIAARN CCOc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1OC(F)F ZINC000033028584 563931664 /nfs/dbraw/zinc/93/16/64/563931664.db2.gz JWBLZTUCQBUYHU-MBNYWOFBSA-N 0 0 341.398 4.241 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)OCCC(C)C)c(Br)c1 ZINC000057994320 563936249 /nfs/dbraw/zinc/93/62/49/563936249.db2.gz BTYAUUHUUDYHDO-GFCCVEGCSA-N 0 0 328.250 4.147 50 0 EIAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@H](C)c2ccccc21 ZINC000057996251 563936379 /nfs/dbraw/zinc/93/63/79/563936379.db2.gz HABRTJVNFRSDRM-AWEZNQCLSA-N 0 0 348.450 4.475 50 0 EIAARN CC[C@@H](NC(=O)Nc1ncccc1C)c1nc(-c2ccccc2)c[nH]1 ZINC000058156729 563937966 /nfs/dbraw/zinc/93/79/66/563937966.db2.gz ZJAMMIRCAWZYJG-OAHLLOKOSA-N 0 0 335.411 4.053 50 0 EIAARN CC(C)COC(=O)Nc1cccc(NCc2nc(C(C)C)no2)c1 ZINC000058159200 563938333 /nfs/dbraw/zinc/93/83/33/563938333.db2.gz KPWLBUKAMZRKKR-UHFFFAOYSA-N 0 0 332.404 4.010 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)c(C)o1 ZINC000058179771 563939195 /nfs/dbraw/zinc/93/91/95/563939195.db2.gz XMWKUIAGQJPRJW-OAHLLOKOSA-N 0 0 329.396 4.015 50 0 EIAARN CS[C@@H](C)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000058184770 563939276 /nfs/dbraw/zinc/93/92/76/563939276.db2.gz GKBPIWYSHDKJAZ-YVEFUNNKSA-N 0 0 335.419 4.116 50 0 EIAARN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC=CCC2)c1 ZINC000058201255 563939674 /nfs/dbraw/zinc/93/96/74/563939674.db2.gz YJAVKKNOVULTDQ-ZDUSSCGKSA-N 0 0 334.847 4.115 50 0 EIAARN Cc1ccc(CN(C(=O)Cc2coc(-c3ccccc3)n2)C(C)C)o1 ZINC000058231676 563940562 /nfs/dbraw/zinc/94/05/62/563940562.db2.gz LVNXWSQWQBWUDP-UHFFFAOYSA-N 0 0 338.407 4.223 50 0 EIAARN COCc1ccccc1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000058244908 563940639 /nfs/dbraw/zinc/94/06/39/563940639.db2.gz QQSQVDKLZFLSEM-UHFFFAOYSA-N 0 0 348.446 4.334 50 0 EIAARN CC(C)c1csc(C(=O)N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000058248683 563940876 /nfs/dbraw/zinc/94/08/76/563940876.db2.gz BEFZDAQPXYNZIF-QGZVFWFLSA-N 0 0 337.448 4.181 50 0 EIAARN Oc1ccc2c(c1)CCN(c1ncc(C(F)(F)F)cc1Cl)CC2 ZINC000058298227 563941987 /nfs/dbraw/zinc/94/19/87/563941987.db2.gz VJRBFSFRJYYQNS-UHFFFAOYSA-N 0 0 342.748 4.065 50 0 EIAARN Cc1ccccc1[C@@H](C)NC(=O)c1cnn(C(C)C)c1C(F)(F)F ZINC000058323221 563942539 /nfs/dbraw/zinc/94/25/39/563942539.db2.gz ZOJVGHXWDYGBEW-GFCCVEGCSA-N 0 0 339.361 4.282 50 0 EIAARN COc1ccccc1Nc1ncccc1C(=O)N1CCCCCCC1 ZINC000058356279 563943399 /nfs/dbraw/zinc/94/33/99/563943399.db2.gz YNXNSPYNOBSRQO-UHFFFAOYSA-N 0 0 339.439 4.240 50 0 EIAARN COc1ccc2oc(C)c(C(=O)Nc3ccc4oc(=O)ccc4c3)c2c1 ZINC000058356462 563943424 /nfs/dbraw/zinc/94/34/24/563943424.db2.gz INAZCRKTRCVJCN-UHFFFAOYSA-N 0 0 349.342 4.109 50 0 EIAARN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c2ccccc2n1 ZINC000058356832 563943536 /nfs/dbraw/zinc/94/35/36/563943536.db2.gz PJOHIHRPUIPCEB-HRAATJIYSA-N 0 0 346.430 4.145 50 0 EIAARN Cc1ccccc1SCC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000058378340 563944249 /nfs/dbraw/zinc/94/42/49/563944249.db2.gz YMUROJBCRYIPTJ-YLJYHZDGSA-N 0 0 341.476 4.124 50 0 EIAARN Cc1ccc2cc(C(=O)NC[C@H](C)N(C)c3ccccc3)c(C)nc2c1 ZINC000058380609 563944305 /nfs/dbraw/zinc/94/43/05/563944305.db2.gz DWAKSQFKYPWAQN-INIZCTEOSA-N 0 0 347.462 4.106 50 0 EIAARN Cc1ccc2oc(C(=O)N(C[C@H]3CCOC3)c3ccccc3)cc2c1 ZINC000058383274 563944450 /nfs/dbraw/zinc/94/44/50/563944450.db2.gz FMJPCIRQHRJMNO-MRXNPFEDSA-N 0 0 335.403 4.425 50 0 EIAARN Cc1ccc2nc(C)c(C(=O)NCCO[C@@H]3CCCC[C@@H]3C)cc2c1 ZINC000058390682 563944453 /nfs/dbraw/zinc/94/44/53/563944453.db2.gz UYUVUXHOCUNYKZ-MGPUTAFESA-N 0 0 340.467 4.177 50 0 EIAARN C[C@@]1(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC1(Cl)Cl ZINC000058412910 563945338 /nfs/dbraw/zinc/94/53/38/563945338.db2.gz AWNQKCLQEWVYRG-BBRMVZONSA-N 0 0 326.267 4.499 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000058423616 563945928 /nfs/dbraw/zinc/94/59/28/563945928.db2.gz BITTYKSTNRNJDG-PFXAWQMLSA-N 0 0 330.472 4.070 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000058423610 563945930 /nfs/dbraw/zinc/94/59/30/563945930.db2.gz BITTYKSTNRNJDG-NCDPGDTPSA-N 0 0 330.472 4.070 50 0 EIAARN C[C@H](C(=O)Nc1cccc(F)c1)n1c(-c2cccs2)n[nH]c1=S ZINC000058425367 563946039 /nfs/dbraw/zinc/94/60/39/563946039.db2.gz CVCYFCOVCGUSCJ-SECBINFHSA-N 0 0 348.428 4.008 50 0 EIAARN CCc1ccc(NC(=O)CN2C[C@H](C)Sc3ccccc32)cc1 ZINC000033059198 563950092 /nfs/dbraw/zinc/95/00/92/563950092.db2.gz HLEBDSWPKMFWOE-AWEZNQCLSA-N 0 0 326.465 4.188 50 0 EIAARN CC[C@H]1CN(CC(=O)Nc2ccccc2OC)c2ccccc2S1 ZINC000033059364 563951771 /nfs/dbraw/zinc/95/17/71/563951771.db2.gz UTTJHRJLFOJUSZ-AWEZNQCLSA-N 0 0 342.464 4.025 50 0 EIAARN CC[C@H]1CN(CC(=O)Nc2ccc(C)cc2)c2ccccc2S1 ZINC000033059360 563951797 /nfs/dbraw/zinc/95/17/97/563951797.db2.gz IJMSZIAXEUGWDM-INIZCTEOSA-N 0 0 326.465 4.324 50 0 EIAARN CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC[C@@H](CO)C1 ZINC000096435205 563952398 /nfs/dbraw/zinc/95/23/98/563952398.db2.gz CSCFDYZRBGBIHU-GFCCVEGCSA-N 0 0 342.892 4.077 50 0 EIAARN Cc1nc(C)c(CNC(=O)Nc2cccc(N3CCCCC3)c2)s1 ZINC000096434280 563953041 /nfs/dbraw/zinc/95/30/41/563953041.db2.gz QJSONPZJIQKBPB-UHFFFAOYSA-N 0 0 344.484 4.072 50 0 EIAARN CC(C)Oc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(F)c1 ZINC000096454963 563953862 /nfs/dbraw/zinc/95/38/62/563953862.db2.gz BTRWPTKCUCVTCO-MRXNPFEDSA-N 0 0 346.406 4.095 50 0 EIAARN Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](CCO)C3)cc2)c1 ZINC000096462382 563954176 /nfs/dbraw/zinc/95/41/76/563954176.db2.gz IPNLSXVBGFZXAI-MRXNPFEDSA-N 0 0 340.423 4.024 50 0 EIAARN O=C(Nc1ccccc1F)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000096467915 563954371 /nfs/dbraw/zinc/95/43/71/563954371.db2.gz LDOZFBYHRJMLRZ-YOEHRIQHSA-N 0 0 346.402 4.319 50 0 EIAARN CC[C@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1cccs1 ZINC000096474153 563954888 /nfs/dbraw/zinc/95/48/88/563954888.db2.gz MPPUJKYAEABUDZ-STQMWFEESA-N 0 0 336.482 4.044 50 0 EIAARN CC(C)NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033062310 563955099 /nfs/dbraw/zinc/95/50/99/563955099.db2.gz HSOJGHSZYBFWHS-KRWDZBQOSA-N 0 0 339.414 4.147 50 0 EIAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cc2c(s1)CCCCC2 ZINC000033066430 563955285 /nfs/dbraw/zinc/95/52/85/563955285.db2.gz SOMJADMFSKHWLW-UHFFFAOYSA-N 0 0 340.448 4.154 50 0 EIAARN Cc1nn(C)c(C)c1CN(Cc1c(Cl)cncc1Cl)C(C)C ZINC000063833624 563956095 /nfs/dbraw/zinc/95/60/95/563956095.db2.gz ZESQKVFGKIBWDR-UHFFFAOYSA-N 0 0 341.286 4.149 50 0 EIAARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCCC1 ZINC000063881664 563956365 /nfs/dbraw/zinc/95/63/65/563956365.db2.gz NZGRKCQCBVSKFQ-UHFFFAOYSA-N 0 0 348.450 4.224 50 0 EIAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C)c1C ZINC000064658166 563956996 /nfs/dbraw/zinc/95/69/96/563956996.db2.gz QDMOUDIRPDCSGJ-UHFFFAOYSA-N 0 0 327.453 4.459 50 0 EIAARN CSc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000065331111 563958065 /nfs/dbraw/zinc/95/80/65/563958065.db2.gz WXOINJPPKODSPA-MRXNPFEDSA-N 0 0 335.432 4.068 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2Cl)c2cnn(-c3ccccc3)c2N1 ZINC000065365040 563958252 /nfs/dbraw/zinc/95/82/52/563958252.db2.gz QUXOUZVUUCCIOQ-CQSZACIVSA-N 0 0 341.773 4.139 50 0 EIAARN Cc1nonc1[C@@H]1CCCN1Cc1cnc(-c2ccccc2C)s1 ZINC000065382851 563959075 /nfs/dbraw/zinc/95/90/75/563959075.db2.gz VTSOXYNRSMFSOY-INIZCTEOSA-N 0 0 340.452 4.147 50 0 EIAARN Cc1noc([C@@H]2CCCN2Cc2cnc(-c3ccccc3C)s2)n1 ZINC000065395647 563959645 /nfs/dbraw/zinc/95/96/45/563959645.db2.gz IQNANGOAIYFRPI-INIZCTEOSA-N 0 0 340.452 4.147 50 0 EIAARN CC(C)n1cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)cn1 ZINC000065451500 563960902 /nfs/dbraw/zinc/96/09/02/563960902.db2.gz OYZXYVDVGNBQCP-GOSISDBHSA-N 0 0 336.439 4.174 50 0 EIAARN FC(F)(F)[C@H](OCc1nc(Cc2ccccc2)n[nH]1)c1ccccc1 ZINC000065508819 563961762 /nfs/dbraw/zinc/96/17/62/563961762.db2.gz DMNKYBTYGPXAQH-QGZVFWFLSA-N 0 0 347.340 4.216 50 0 EIAARN COc1cc2c(cc1O)NC(=O)C[C@H]2c1oc2ccc(C)cc2c1C ZINC000065526073 563961794 /nfs/dbraw/zinc/96/17/94/563961794.db2.gz MUDHBVVRSSCPAH-CQSZACIVSA-N 0 0 337.375 4.238 50 0 EIAARN COc1cccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c1 ZINC000096680055 563962198 /nfs/dbraw/zinc/96/21/98/563962198.db2.gz LFCQOXJBGNMEIS-UHFFFAOYSA-N 0 0 337.354 4.225 50 0 EIAARN O=C(c1cnc(N2CCCCC2)c2ccccc12)N1CCCCCC1 ZINC000033073130 563963365 /nfs/dbraw/zinc/96/33/65/563963365.db2.gz QUPUAISKPFCSGJ-UHFFFAOYSA-N 0 0 337.467 4.241 50 0 EIAARN Brc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1ccncc1)N2 ZINC000033087881 563963416 /nfs/dbraw/zinc/96/34/16/563963416.db2.gz QSRUXLXYUUZRAS-XKQJLSEDSA-N 0 0 345.240 4.479 50 0 EIAARN CSc1cccc(NC(=O)Nc2cc(F)c3[nH]c(=O)ccc3c2)c1 ZINC000033127204 563963627 /nfs/dbraw/zinc/96/36/27/563963627.db2.gz TVMTXXYRDKKQCI-UHFFFAOYSA-N 0 0 343.383 4.033 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)nn2)cc1 ZINC000033130957 563963663 /nfs/dbraw/zinc/96/36/63/563963663.db2.gz FBXSCDOOJTVVIU-UHFFFAOYSA-N 0 0 347.418 4.464 50 0 EIAARN COc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)[nH]c2C)c1 ZINC000033139614 563963886 /nfs/dbraw/zinc/96/38/86/563963886.db2.gz OSKFSLDQUAGQCM-UHFFFAOYSA-N 0 0 334.419 4.237 50 0 EIAARN Clc1cccc2ccc(CN3CCc4nc[nH]c4[C@H]3C3CC3)nc12 ZINC000071639743 563964644 /nfs/dbraw/zinc/96/46/44/563964644.db2.gz HRMROKIBQQHMDR-LJQANCHMSA-N 0 0 338.842 4.121 50 0 EIAARN Cc1ccnc([C@@H](Nc2nccc(CCC(F)(F)F)n2)C2CC2)c1 ZINC000071751560 563965148 /nfs/dbraw/zinc/96/51/48/563965148.db2.gz LSKSVSOYZLJKTP-HNNXBMFYSA-N 0 0 336.361 4.238 50 0 EIAARN CC(C)c1nc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)no1 ZINC000071760924 563965372 /nfs/dbraw/zinc/96/53/72/563965372.db2.gz RYUDOIZZIAGQDW-CYBMUJFWSA-N 0 0 342.226 4.078 50 0 EIAARN Fc1cccc(Cl)c1-c1nccn1Cc1cnc2ccccn12 ZINC000071761151 563965373 /nfs/dbraw/zinc/96/53/73/563965373.db2.gz JWUQHBGHDPUCGG-UHFFFAOYSA-N 0 0 326.762 4.039 50 0 EIAARN Cc1nc([C@H](C)n2ccnc2-c2cccc(-n3cccn3)c2)cs1 ZINC000071763835 563965475 /nfs/dbraw/zinc/96/54/75/563965475.db2.gz UEDRYIZLIQJGDI-ZDUSSCGKSA-N 0 0 335.436 4.110 50 0 EIAARN COc1ccc(OC)c([C@@](C)(O)[C@H](c2ccccc2)c2ccccn2)c1 ZINC000071767158 563965536 /nfs/dbraw/zinc/96/55/36/563965536.db2.gz TWZHQIAQMJDYBM-FGZHOGPDSA-N 0 0 349.430 4.138 50 0 EIAARN Cc1c(NC(=O)c2c[nH]c3ccccc23)cccc1C(=O)NC(C)(C)C ZINC000071777312 563965772 /nfs/dbraw/zinc/96/57/72/563965772.db2.gz OSBPDAJNGVABFE-UHFFFAOYSA-N 0 0 349.434 4.257 50 0 EIAARN CCc1ccc(C(=O)c2sc(Nc3ccccc3F)nc2N)cc1 ZINC000033251819 563966091 /nfs/dbraw/zinc/96/60/91/563966091.db2.gz GHHAPESAEODBGZ-UHFFFAOYSA-N 0 0 341.411 4.401 50 0 EIAARN CN(C)c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000033255529 563966146 /nfs/dbraw/zinc/96/61/46/563966146.db2.gz LCVNJKSYXYGXLM-UHFFFAOYSA-N 0 0 344.212 4.232 50 0 EIAARN COc1ccc(C2CC(=O)N(c3ccc(C(C)C)cc3)C(=O)C2)cc1 ZINC000033256450 563966171 /nfs/dbraw/zinc/96/61/71/563966171.db2.gz HCQVWXGALAGFLD-UHFFFAOYSA-N 0 0 337.419 4.256 50 0 EIAARN Cc1nc(-c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)no1 ZINC000033257634 563966210 /nfs/dbraw/zinc/96/62/10/563966210.db2.gz SCXOANOCOVHZLH-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN COc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1 ZINC000033257675 563966246 /nfs/dbraw/zinc/96/62/46/563966246.db2.gz QHWYNZIGIHGZMD-UHFFFAOYSA-N 0 0 349.390 4.265 50 0 EIAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3ccccn3)c(C)o2)cc1 ZINC000072161149 563966343 /nfs/dbraw/zinc/96/63/43/563966343.db2.gz GNLHYIGCLUNMSU-FQEVSTJZSA-N 0 0 349.434 4.391 50 0 EIAARN O=C(NC1CCCCC1)c1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000033264738 563966504 /nfs/dbraw/zinc/96/65/04/563966504.db2.gz CQEYAMHITUJDAU-UHFFFAOYSA-N 0 0 347.462 4.411 50 0 EIAARN Cc1ccc(-c2nc(CNc3ccc([S@@](C)=O)c(F)c3)co2)cc1 ZINC000097020097 563966765 /nfs/dbraw/zinc/96/67/65/563966765.db2.gz CDYXVRLBBLHKPK-DEOSSOPVSA-N 0 0 344.411 4.139 50 0 EIAARN Cc1nc(C[S@@](=O)[C@H](C)c2ccc(OC(F)(F)F)cc2)oc1C ZINC000097083625 563967311 /nfs/dbraw/zinc/96/73/11/563967311.db2.gz JWGYHGXDZOPSCD-BGJPBQGDSA-N 0 0 347.358 4.200 50 0 EIAARN C[C@@H](NC(=O)CC1CCOCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000127202598 563967556 /nfs/dbraw/zinc/96/75/56/563967556.db2.gz UJFSFZKTCAONLV-CHWSQXEVSA-N 0 0 343.389 4.130 50 0 EIAARN CCC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(CC)cc1 ZINC000097105876 563967667 /nfs/dbraw/zinc/96/76/67/563967667.db2.gz ZZZMJOOFQYBVTF-HXUWFJFHSA-N 0 0 336.435 4.345 50 0 EIAARN C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc21 ZINC000000034892 563967867 /nfs/dbraw/zinc/96/78/67/563967867.db2.gz VJPQGQKYEPPMAS-LLVKDONJSA-N 0 0 336.218 4.350 50 0 EIAARN CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)s1 ZINC000077321637 563969003 /nfs/dbraw/zinc/96/90/03/563969003.db2.gz VTWYRAFRDXSTCU-HNNXBMFYSA-N 0 0 331.412 4.457 50 0 EIAARN Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@H]3C(F)(F)F)c2c1 ZINC000077353300 563969130 /nfs/dbraw/zinc/96/91/30/563969130.db2.gz FRPHLORFXAPHEV-HNNXBMFYSA-N 0 0 336.357 4.327 50 0 EIAARN Cc1ncc(C(=O)N2CCC(Sc3ccccc3C)CC2)s1 ZINC000077380463 563969335 /nfs/dbraw/zinc/96/93/35/563969335.db2.gz WXVGLQLRCKCEMQ-UHFFFAOYSA-N 0 0 332.494 4.157 50 0 EIAARN Cc1ncsc1CCC(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077386147 563969342 /nfs/dbraw/zinc/96/93/42/563969342.db2.gz ULRSYRIREAATKP-MRXNPFEDSA-N 0 0 332.444 4.277 50 0 EIAARN Cc1nccn1C[C@@H]1CCCN(c2nc3ccc(C)cc3s2)C1 ZINC000077392793 563969360 /nfs/dbraw/zinc/96/93/60/563969360.db2.gz LXZGCGOFMANZLF-HNNXBMFYSA-N 0 0 326.469 4.026 50 0 EIAARN Clc1cncc(Cl)c1CN1CCCC[C@H]1CCn1cccn1 ZINC000077407230 563969457 /nfs/dbraw/zinc/96/94/57/563969457.db2.gz GGQKXUHQXMKCGM-ZDUSSCGKSA-N 0 0 339.270 4.030 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]3C(F)(F)F)c2c1 ZINC000077407039 563969478 /nfs/dbraw/zinc/96/94/78/563969478.db2.gz OVVXEAFXSNPYFW-MRXNPFEDSA-N 0 0 336.357 4.273 50 0 EIAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)CCC[C@@H]1CCCO1 ZINC000077438022 563969656 /nfs/dbraw/zinc/96/96/56/563969656.db2.gz FYYWHUBLOLLPQT-MRXNPFEDSA-N 0 0 329.440 4.389 50 0 EIAARN Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1 ZINC000077439345 563969678 /nfs/dbraw/zinc/96/96/78/563969678.db2.gz FRURQIMFXOULEZ-INIZCTEOSA-N 0 0 342.439 4.038 50 0 EIAARN CC(=O)c1cc(CC(=O)N2CCC[C@@H](c3ccccc3C)C2)cs1 ZINC000077541007 563970247 /nfs/dbraw/zinc/97/02/47/563970247.db2.gz RREUCXONKMOFLF-QGZVFWFLSA-N 0 0 341.476 4.208 50 0 EIAARN O=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1CSc2ccccc21 ZINC000175922411 563970718 /nfs/dbraw/zinc/97/07/18/563970718.db2.gz HCICDJYUXCDUFR-MRXNPFEDSA-N 0 0 349.415 4.097 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2cc(C)nc3c(C)cccc23)on1 ZINC000082091421 563972054 /nfs/dbraw/zinc/97/20/54/563972054.db2.gz WDGRJCMGSSAVMB-QGZVFWFLSA-N 0 0 335.407 4.125 50 0 EIAARN Cc1cc(C(=O)N(C)[C@H](c2ccccn2)C2CC2)c2cccc(C)c2n1 ZINC000082092401 563972106 /nfs/dbraw/zinc/97/21/06/563972106.db2.gz CQODBBGZWYCDTK-NRFANRHFSA-N 0 0 345.446 4.470 50 0 EIAARN C[C@H](c1cncs1)N(C)C(=O)c1csc(-c2cccs2)n1 ZINC000082107781 563972311 /nfs/dbraw/zinc/97/23/11/563972311.db2.gz KZCHHUCHRHHLSA-SECBINFHSA-N 0 0 335.479 4.161 50 0 EIAARN COCc1c(Br)cccc1NC(=O)c1sccc1C ZINC000127747384 563973707 /nfs/dbraw/zinc/97/37/07/563973707.db2.gz ZJJUCUVAPPNXAA-UHFFFAOYSA-N 0 0 340.242 4.218 50 0 EIAARN O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000085651274 563973873 /nfs/dbraw/zinc/97/38/73/563973873.db2.gz GXBCOVJBDSQUHA-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN O=C(c1ccc(F)c(Cl)c1)c1ccccc1CN1CCSCC1 ZINC000085651674 563973883 /nfs/dbraw/zinc/97/38/83/563973883.db2.gz VUCPOYHJTGLDGJ-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN O=C(CCSc1ccccc1)NCc1ccc(-c2ccco2)o1 ZINC000585147818 563974081 /nfs/dbraw/zinc/97/40/81/563974081.db2.gz WFJFKJPJOSVTAG-UHFFFAOYSA-N 0 0 327.405 4.338 50 0 EIAARN 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COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000000314675 563990954 /nfs/dbraw/zinc/99/09/54/563990954.db2.gz SBPOIHBZJCMNEY-UHFFFAOYSA-N 0 0 346.361 4.200 50 0 EIAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000000325375 563991250 /nfs/dbraw/zinc/99/12/50/563991250.db2.gz XQSWKEDTXSIYQZ-KRWDZBQOSA-N 0 0 348.406 4.414 50 0 EIAARN CN(C)/C=C(/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100255060 563991874 /nfs/dbraw/zinc/99/18/74/563991874.db2.gz XALLWRGTNHOFQL-AGJFMPELSA-N 0 0 347.867 4.230 50 0 EIAARN CCC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000004901686 563992357 /nfs/dbraw/zinc/99/23/57/563992357.db2.gz YBNVBXWPBLRSJT-HXUWFJFHSA-N 0 0 338.451 4.046 50 0 EIAARN CC[C@H](C)n1nc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1C ZINC000408513854 563992792 /nfs/dbraw/zinc/99/27/92/563992792.db2.gz WOGKAOIQBKFSMJ-VIFPVBQESA-N 0 0 341.333 4.155 50 0 EIAARN CCC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000408520279 563993055 /nfs/dbraw/zinc/99/30/55/563993055.db2.gz ZSJLUKSLFBOANG-UHFFFAOYSA-N 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/nfs/dbraw/zinc/99/86/84/563998684.db2.gz OCDDYYXMPDFFJI-UHFFFAOYSA-N 0 0 341.411 4.051 50 0 EIAARN Cc1ccc2cc3cc(C(=O)NCc4ccc(F)cc4)oc3nc2c1 ZINC000000428986 563998906 /nfs/dbraw/zinc/99/89/06/563998906.db2.gz XQEVUJDBFQKYHR-UHFFFAOYSA-N 0 0 334.350 4.359 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCN=C1SCc1ccccc1F ZINC000000429434 563999068 /nfs/dbraw/zinc/99/90/68/563999068.db2.gz YBGBVZQUWLDZEP-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN COc1ccc2cc3cc(C(=O)Nc4ccc(F)cc4)oc3nc2c1 ZINC000000429117 563999142 /nfs/dbraw/zinc/99/91/42/563999142.db2.gz FJDHEWMYZSQOFH-UHFFFAOYSA-N 0 0 336.322 4.381 50 0 EIAARN O=C(c1cccc([C@H]2CCOC2)c1)N(c1ccccn1)C1CCCC1 ZINC000270640009 563999250 /nfs/dbraw/zinc/99/92/50/563999250.db2.gz KCQJHBAMJNRJHF-SFHVURJKSA-N 0 0 336.435 4.175 50 0 EIAARN COc1ccc(C2=N/C(=C\c3sccc3C)C(=O)O2)c(Cl)c1 ZINC000000430667 563999416 /nfs/dbraw/zinc/99/94/16/563999416.db2.gz WOMWXPONOKRWLH-JYRVWZFOSA-N 0 0 333.796 4.063 50 0 EIAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3cccnc3)s2)ccn1 ZINC000061722055 564000549 /nfs/dbraw/zinc/00/05/49/564000549.db2.gz NLENDFLLXVDBTC-UHFFFAOYSA-N 0 0 338.436 4.113 50 0 EIAARN O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2ccccc2)cc1 ZINC000000457066 564000567 /nfs/dbraw/zinc/00/05/67/564000567.db2.gz CWZKJMDCOFRXFE-UHFFFAOYSA-N 0 0 348.427 4.186 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Oc2ccc(Br)cc2)cc1C ZINC000000464665 564001062 /nfs/dbraw/zinc/00/10/62/564001062.db2.gz AFTPWCAERXNCTN-ZDUSSCGKSA-N 0 0 349.224 4.439 50 0 EIAARN O=C(CSc1ncnc2c3ccccc3oc21)c1ccc(F)cc1 ZINC000005218826 564001139 /nfs/dbraw/zinc/00/11/39/564001139.db2.gz FNJDUDRIJAQBRS-UHFFFAOYSA-N 0 0 338.363 4.490 50 0 EIAARN CCCCCOc1ccccc1CN1C(=O)C(=O)c2cccc(C)c21 ZINC000005234397 564001367 /nfs/dbraw/zinc/00/13/67/564001367.db2.gz VWPPIRVFQCBREY-UHFFFAOYSA-N 0 0 337.419 4.294 50 0 EIAARN COCCn1cc(NC(=O)Nc2ccc(F)c(F)c2)c2ccccc21 ZINC000005266522 564001685 /nfs/dbraw/zinc/00/16/85/564001685.db2.gz POZZUWNUVSNCOH-UHFFFAOYSA-N 0 0 345.349 4.210 50 0 EIAARN Cc1cccc(O)c1NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000179560350 564002193 /nfs/dbraw/zinc/00/21/93/564002193.db2.gz NXXXYPFRKDIROF-UHFFFAOYSA-N 0 0 346.814 4.201 50 0 EIAARN C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1ccccc1CC21C(=O)CC(C)(C)CC1=O ZINC000005274386 564002253 /nfs/dbraw/zinc/00/22/53/564002253.db2.gz WEOIUSWZPPNLHG-STXHMFSFSA-N 0 0 339.479 4.038 50 0 EIAARN Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1C ZINC000001028178 564002338 /nfs/dbraw/zinc/00/23/38/564002338.db2.gz BZEUDUVPCWQMBC-BOPFTXTBSA-N 0 0 338.432 4.409 50 0 EIAARN O=C(NCCc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1 ZINC000005296053 564002376 /nfs/dbraw/zinc/00/23/76/564002376.db2.gz LRDSFCGKVYAPQT-UHFFFAOYSA-N 0 0 341.357 4.414 50 0 EIAARN Cc1cc(=O)oc2cc(OCc3coc(-c4cccs4)n3)ccc12 ZINC000005292811 564002390 /nfs/dbraw/zinc/00/23/90/564002390.db2.gz VQCKAQUIALSODL-UHFFFAOYSA-N 0 0 339.372 4.397 50 0 EIAARN CCOc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000005296182 564002414 /nfs/dbraw/zinc/00/24/14/564002414.db2.gz UCXHAAWCZILIDX-INIZCTEOSA-N 0 0 349.430 4.495 50 0 EIAARN CCc1nn2c(nc(C)cc2-n2nc(C)cc2C)c1-c1ccccc1 ZINC000005303173 564002454 /nfs/dbraw/zinc/00/24/54/564002454.db2.gz LKJUEROKNPDBSM-UHFFFAOYSA-N 0 0 331.423 4.070 50 0 EIAARN O=C(c1c(F)cccc1Cl)N(Cc1ccco1)Cc1ccccn1 ZINC000061974503 564002525 /nfs/dbraw/zinc/00/25/25/564002525.db2.gz HGKRDKCLEZIVFR-UHFFFAOYSA-N 0 0 344.773 4.310 50 0 EIAARN COc1ccc2[nH]cc(C[C@@H]3C(=O)Nc4cc(Cl)ccc43)c2c1 ZINC000062001409 564002684 /nfs/dbraw/zinc/00/26/84/564002684.db2.gz IQBXGQDHLSQCCZ-HNNXBMFYSA-N 0 0 326.783 4.108 50 0 biogenic EIAARN Cc1nc(CSc2nnc(-c3ccccc3F)n2C2CC2)cs1 ZINC000005333211 564002727 /nfs/dbraw/zinc/00/27/27/564002727.db2.gz BOQNFMJHDDTZCX-UHFFFAOYSA-N 0 0 346.456 4.476 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nonc1-c1ccccc1 ZINC000005353233 564002884 /nfs/dbraw/zinc/00/28/84/564002884.db2.gz PVZDAAUCAPACRZ-UHFFFAOYSA-N 0 0 337.310 4.183 50 0 EIAARN COc1ccc2cc(C(=O)Nc3ccccc3N3CCCC3)[nH]c2c1 ZINC000005346802 564002946 /nfs/dbraw/zinc/00/29/46/564002946.db2.gz PYRZOSXTRNYWOS-UHFFFAOYSA-N 0 0 335.407 4.029 50 0 EIAARN COc1ccc2ccc(O[C@H](C)C(=O)N(C)c3ccccc3)cc2c1 ZINC000005365708 564003107 /nfs/dbraw/zinc/00/31/07/564003107.db2.gz JCIRYSJSMVWWAR-OAHLLOKOSA-N 0 0 335.403 4.279 50 0 EIAARN O=C1Oc2ccccc2[C@H]2ON=C(c3c(Cl)cccc3Cl)[C@@H]12 ZINC000005379437 564003130 /nfs/dbraw/zinc/00/31/30/564003130.db2.gz PYWVDDLPQZNQMF-UKRRQHHQSA-N 0 0 334.158 4.004 50 0 EIAARN COC(=O)[C@]1(C)CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 ZINC000005377290 564003266 /nfs/dbraw/zinc/00/32/66/564003266.db2.gz JONHTESXUZSHQF-FQEVSTJZSA-N 0 0 347.455 4.043 50 0 EIAARN O=C(N[C@H]1CCSc2ccccc21)c1ccccc1Br ZINC000005425369 564003791 /nfs/dbraw/zinc/00/37/91/564003791.db2.gz FCGIOBCHGDFROD-AWEZNQCLSA-N 0 0 348.265 4.416 50 0 EIAARN Clc1cccc(Oc2nc3ccccc3n3cnnc23)c1Cl ZINC000005427101 564003856 /nfs/dbraw/zinc/00/38/56/564003856.db2.gz SSAVLERLRZNVDO-UHFFFAOYSA-N 0 0 331.162 4.377 50 0 EIAARN Cc1ccc(-c2nonc2NC(=O)Cc2cccc3ccccc32)cc1 ZINC000005452161 564004233 /nfs/dbraw/zinc/00/42/33/564004233.db2.gz QINKIUNOGAYFNC-UHFFFAOYSA-N 0 0 343.386 4.379 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000003227424 564004253 /nfs/dbraw/zinc/00/42/53/564004253.db2.gz SWBRDLVBBOKRIF-UHFFFAOYSA-N 0 0 337.444 4.387 50 0 EIAARN C[C@@H](NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000003269479 564004319 /nfs/dbraw/zinc/00/43/19/564004319.db2.gz MMKXPHBFZIXHRC-CQSZACIVSA-N 0 0 340.492 4.350 50 0 EIAARN O=C(Oc1ccccc1Cc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000005464996 564004388 /nfs/dbraw/zinc/00/43/88/564004388.db2.gz YEJMYKPTFISVHH-NRFANRHFSA-N 0 0 346.382 4.023 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)CC(C)C)C[C@H](CC)CC2 ZINC000005476672 564004500 /nfs/dbraw/zinc/00/45/00/564004500.db2.gz IZGYZROXRFAWPD-GFCCVEGCSA-N 0 0 337.485 4.424 50 0 EIAARN COc1cc2c(cc1OC)/C(=C/c1ccc(SC)cc1)C(=O)OC2 ZINC000005478485 564004573 /nfs/dbraw/zinc/00/45/73/564004573.db2.gz HRDMOQYPWZFQBW-PXNMLYILSA-N 0 0 342.416 4.023 50 0 EIAARN Cc1occc1C(=O)Nc1cc(NC(=O)N(C)CC(C)C)ccc1F ZINC000062389614 564004867 /nfs/dbraw/zinc/00/48/67/564004867.db2.gz PITFKJGMGCKFGD-UHFFFAOYSA-N 0 0 347.390 4.099 50 0 EIAARN CC(C)(C)n1cc(NC(=O)Nc2ccccc2N2CCCCC2)cn1 ZINC000062373641 564004899 /nfs/dbraw/zinc/00/48/99/564004899.db2.gz GLXVFSJQBMPRID-UHFFFAOYSA-N 0 0 341.459 4.272 50 0 EIAARN CC(C)CN(C)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000062399548 564004914 /nfs/dbraw/zinc/00/49/14/564004914.db2.gz LXPJNMNTNQPWLK-UHFFFAOYSA-N 0 0 328.460 4.175 50 0 EIAARN O=C(/C=C/c1c(Cl)nc2ccccn21)OC/C=C/c1ccccc1 ZINC000005562279 564005585 /nfs/dbraw/zinc/00/55/85/564005585.db2.gz RRARWCDXKQINRF-SQXBUMSNSA-N 0 0 338.794 4.258 50 0 EIAARN CCOc1ccc(-c2ncncc2Oc2ccccc2OC)c(O)c1 ZINC000005561685 564005603 /nfs/dbraw/zinc/00/56/03/564005603.db2.gz TUFYGOHOTZRJCG-UHFFFAOYSA-N 0 0 338.363 4.049 50 0 EIAARN Cc1cccc(-c2noc(CCC(=O)Nc3ccccc3Cl)n2)c1 ZINC000005563129 564005645 /nfs/dbraw/zinc/00/56/45/564005645.db2.gz JRXMHEQUTXSRRM-UHFFFAOYSA-N 0 0 341.798 4.270 50 0 EIAARN C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(Cl)cn1 ZINC000005627234 564006712 /nfs/dbraw/zinc/00/67/12/564006712.db2.gz YCFYAWZCKYXWAF-NSHDSACASA-N 0 0 343.839 4.403 50 0 EIAARN N=C1NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)S1 ZINC000005631929 564006779 /nfs/dbraw/zinc/00/67/79/564006779.db2.gz INYUBKMKEYWDEA-OQLLNIDSSA-N 0 0 344.823 4.058 50 0 EIAARN Nc1nnc(SCCSc2cc(Cl)ccc2Cl)s1 ZINC000005636747 564006850 /nfs/dbraw/zinc/00/68/50/564006850.db2.gz DLVJIXSMNRZHRP-UHFFFAOYSA-N 0 0 338.310 4.312 50 0 EIAARN Cc1cc(C(=O)Nc2ccccc2[C@H](O)C(F)(F)F)sc1C ZINC000272300782 564007281 /nfs/dbraw/zinc/00/72/81/564007281.db2.gz XGPOZQFQJQJPCD-ZDUSSCGKSA-N 0 0 329.343 4.213 50 0 EIAARN COc1ccc(C2=NNC(=Nc3c(C)cccc3C)SC2)cc1 ZINC000005660422 564007428 /nfs/dbraw/zinc/00/74/28/564007428.db2.gz LPGJIKVQFKOUMK-UHFFFAOYSA-N 0 0 325.437 4.231 50 0 EIAARN Cc1ccc(CC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000273296781 564007728 /nfs/dbraw/zinc/00/77/28/564007728.db2.gz MHSJTXIFHOWXRD-SJLPKXTDSA-N 0 0 347.455 4.117 50 0 EIAARN O=C(Nc1ccccc1C(=O)NCCC1=CCCCC1)c1ccco1 ZINC000017334991 564011711 /nfs/dbraw/zinc/01/17/11/564011711.db2.gz RMMKSFFBYZXQML-UHFFFAOYSA-N 0 0 338.407 4.152 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)c2cccc(Br)c2)cc1 ZINC000000305975 564012345 /nfs/dbraw/zinc/01/23/45/564012345.db2.gz RMTKXBKQKHTYRC-GFCCVEGCSA-N 0 0 348.240 4.339 50 0 EIAARN C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2cccc(F)c2)S1 ZINC000003138640 564012366 /nfs/dbraw/zinc/01/23/66/564012366.db2.gz RJTGRLBYLMTIJZ-GFCCVEGCSA-N 0 0 329.400 4.356 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000000436960 564012606 /nfs/dbraw/zinc/01/26/06/564012606.db2.gz RVQOXWAEKOGYPN-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN CCCCCC(=O)Nc1ccc(I)cc1CC ZINC000001846312 564013156 /nfs/dbraw/zinc/01/31/56/564013156.db2.gz CGQXLVHVNFGBRJ-UHFFFAOYSA-N 0 0 345.224 4.372 50 0 EIAARN COc1ccc(CCNC(=O)[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1OC ZINC000000478186 564013192 /nfs/dbraw/zinc/01/31/92/564013192.db2.gz UAUBDALLXPVFIX-CGTJXYLNSA-N 0 0 347.499 4.071 50 0 EIAARN CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C)c1C ZINC000041076983 564013307 /nfs/dbraw/zinc/01/33/07/564013307.db2.gz ULXUJSXTHXKURU-UHFFFAOYSA-N 0 0 349.434 4.199 50 0 EIAARN CON(Cc1ccccc1)C(=O)Nc1cc(-c2ncco2)ccc1C ZINC000162130956 564013357 /nfs/dbraw/zinc/01/33/57/564013357.db2.gz KJXRZSLIXBEJDG-UHFFFAOYSA-N 0 0 337.379 4.246 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000002627385 564013411 /nfs/dbraw/zinc/01/34/11/564013411.db2.gz DRTKRFRPTPZQOP-UHFFFAOYSA-N 0 0 331.799 4.088 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 ZINC000016577561 564014334 /nfs/dbraw/zinc/01/43/34/564014334.db2.gz CIPUIOQVPLGBOU-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN CC(=O)Nc1cc(N)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000584904527 564014482 /nfs/dbraw/zinc/01/44/82/564014482.db2.gz MEXAVAUHNSHBQV-UHFFFAOYSA-N 0 0 339.222 4.421 50 0 EIAARN COc1ccc([C@H]2CCN(C(=O)Nc3ccsc3Cl)C2)cc1 ZINC000189366819 564015244 /nfs/dbraw/zinc/01/52/44/564015244.db2.gz CXZUIPREHCDQRE-LBPRGKRZSA-N 0 0 336.844 4.432 50 0 EIAARN O=C1c2ccccc2C(=O)N1CC[C@@H](Cc1ccccc1)c1ccco1 ZINC000000489418 564017527 /nfs/dbraw/zinc/01/75/27/564017527.db2.gz WCPYZSCQVJNBCM-KRWDZBQOSA-N 0 0 345.398 4.292 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000493255 564017722 /nfs/dbraw/zinc/01/77/22/564017722.db2.gz JPRDCYWQVXZQSV-UHFFFAOYSA-N 0 0 344.414 4.416 50 0 EIAARN C[C@@H]1[C@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000005677008 564018116 /nfs/dbraw/zinc/01/81/16/564018116.db2.gz OKEDHTSICXDDKB-NBQKENEESA-N 0 0 348.398 4.437 50 0 EIAARN Cc1cccc(NC(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c1 ZINC000583649072 564018288 /nfs/dbraw/zinc/01/82/88/564018288.db2.gz UJVLDHAKRSPOHY-UHFFFAOYSA-N 0 0 347.422 4.234 50 0 EIAARN Fc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000018130650 564018336 /nfs/dbraw/zinc/01/83/36/564018336.db2.gz MCQQCENVQIISPH-UHFFFAOYSA-N 0 0 339.761 4.352 50 0 EIAARN Cc1cccc(OCCNC(=O)c2cc(Cl)nc3ccccc32)c1 ZINC000018147442 564018424 /nfs/dbraw/zinc/01/84/24/564018424.db2.gz CTXOQVFMBFEQSY-UHFFFAOYSA-N 0 0 340.810 4.005 50 0 EIAARN C/C=C/c1ccc(OCC(=O)Nc2cc(F)ccc2C)c(OC)c1 ZINC000005688197 564018776 /nfs/dbraw/zinc/01/87/76/564018776.db2.gz QMOOYOOKEWFFOF-SNAWJCMRSA-N 0 0 329.371 4.193 50 0 EIAARN Cc1ccn2cc(C(=O)N[C@H](c3cccs3)c3ccccc3)nc2c1 ZINC000018211461 564018853 /nfs/dbraw/zinc/01/88/53/564018853.db2.gz KNSBRWPFTGEFCR-IBGZPJMESA-N 0 0 347.443 4.224 50 0 EIAARN COc1cc(C(=O)Nc2ncccc2C)cc(Cl)c1OCC(C)C ZINC000018231250 564018876 /nfs/dbraw/zinc/01/88/76/564018876.db2.gz VFGAJWRZMANTEI-UHFFFAOYSA-N 0 0 348.830 4.339 50 0 EIAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1 ZINC000005693659 564019133 /nfs/dbraw/zinc/01/91/33/564019133.db2.gz UWROJMPQLGYGFM-FQEVSTJZSA-N 0 0 332.355 4.173 50 0 EIAARN O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1 ZINC000005699171 564019312 /nfs/dbraw/zinc/01/93/12/564019312.db2.gz NJUTXTKDZDYYJS-UHFFFAOYSA-N 0 0 328.721 4.409 50 0 EIAARN CCCc1nc2sc3c(ncnc3OCC)c2c2c1CCCC2 ZINC000000506718 564019510 /nfs/dbraw/zinc/01/95/10/564019510.db2.gz XDMYMDLUKWXBGL-UHFFFAOYSA-N 0 0 327.453 4.470 50 0 EIAARN O=C(Nc1scnc1-c1ccccc1)[C@H]1CCOc2ccccc21 ZINC000102853601 564020748 /nfs/dbraw/zinc/02/07/48/564020748.db2.gz PWLDENQRPZDQOP-HNNXBMFYSA-N 0 0 336.416 4.315 50 0 EIAARN NN=c1nc(-c2ccccc2Cl)[nH]c2sc3c(c21)CCCC3 ZINC000000520430 564020960 /nfs/dbraw/zinc/02/09/60/564020960.db2.gz MXFWNIREHUEYRG-UHFFFAOYSA-N 0 0 330.844 4.176 50 0 aggregator EIAARN Cc1ncsc1CC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000179070128 564021023 /nfs/dbraw/zinc/02/10/23/564021023.db2.gz PKCHRUQDEUKPNS-GOSISDBHSA-N 0 0 343.883 4.422 50 0 EIAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(=O)[nH]c2ccccc21 ZINC000000521473 564021031 /nfs/dbraw/zinc/02/10/31/564021031.db2.gz MCDNSMVLDCBEFW-UHFFFAOYSA-N 0 0 333.174 4.087 50 0 EIAARN Nc1c2ccc(-c3ccco3)nc2sc1C(=O)Nc1ccccc1 ZINC000000521369 564021036 /nfs/dbraw/zinc/02/10/36/564021036.db2.gz HVNZSHBWGBEEKF-UHFFFAOYSA-N 0 0 335.388 4.391 50 0 EIAARN COc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 ZINC000000530907 564021447 /nfs/dbraw/zinc/02/14/47/564021447.db2.gz HNUCDPOXNDABRN-SJORKVTESA-N 0 0 340.814 4.086 50 0 EIAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)c1cccc(C)c1 ZINC000000547150 564022783 /nfs/dbraw/zinc/02/27/83/564022783.db2.gz DOFGLCUYQWUZMI-UHFFFAOYSA-N 0 0 342.782 4.169 50 0 EIAARN CC1(C)C[C@@H]([C@@H](CC(=O)Nc2nccs2)c2ccccc2)CCO1 ZINC000000550244 564022874 /nfs/dbraw/zinc/02/28/74/564022874.db2.gz BIGDMJGRSNELTA-HOTGVXAUSA-N 0 0 344.480 4.461 50 0 EIAARN CC(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000572333 564023908 /nfs/dbraw/zinc/02/39/08/564023908.db2.gz QSSIKWICFNUCSA-INIZCTEOSA-N 0 0 333.435 4.213 50 0 EIAARN COc1ccc(OCCn2cc(C(=O)C3CC3)c3ccccc32)cc1 ZINC000000573708 564023968 /nfs/dbraw/zinc/02/39/68/564023968.db2.gz BXQXBFHXNBHQMC-UHFFFAOYSA-N 0 0 335.403 4.322 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)cc1 ZINC000046747217 564024480 /nfs/dbraw/zinc/02/44/80/564024480.db2.gz 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/nfs/dbraw/zinc/02/56/82/564025682.db2.gz LWVKNUKZJMPAGN-UHFFFAOYSA-N 0 0 336.395 4.008 50 0 EIAARN Cn1ccnc1[C@@H](Nc1ncccc1C(F)(F)F)c1ccccc1 ZINC000047509875 564026374 /nfs/dbraw/zinc/02/63/74/564026374.db2.gz DDNXGPKZGFECIA-AWEZNQCLSA-N 0 0 332.329 4.035 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccccc1 ZINC000107493429 564026930 /nfs/dbraw/zinc/02/69/30/564026930.db2.gz XNAKAHJORJMFIG-SVFBPWRDSA-N 0 0 328.415 4.091 50 0 EIAARN O=C(c1cc(-c2cccc3ccccc32)[nH]n1)N1CCc2ccccc21 ZINC000044838373 564027336 /nfs/dbraw/zinc/02/73/36/564027336.db2.gz HKCIWJIGJHHPMP-UHFFFAOYSA-N 0 0 339.398 4.433 50 0 EIAARN CCc1ccc(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000044845442 564027509 /nfs/dbraw/zinc/02/75/09/564027509.db2.gz WDLHYWLCLULMFI-CYBMUJFWSA-N 0 0 328.412 4.149 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(C)[C@H](C)c1cccs1 ZINC000044896362 564027562 /nfs/dbraw/zinc/02/75/62/564027562.db2.gz ZVDJAYUYKZAGCS-CYBMUJFWSA-N 0 0 340.448 4.474 50 0 EIAARN COc1ccccc1CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045152725 564028171 /nfs/dbraw/zinc/02/81/71/564028171.db2.gz NXIUTVHKNUBWBN-QGZVFWFLSA-N 0 0 329.827 4.255 50 0 EIAARN C[C@H](CCc1ccccc1)CC(=O)N1c2ccnn2[C@@H](C)C[C@@H]1C ZINC000108456744 564028266 /nfs/dbraw/zinc/02/82/66/564028266.db2.gz LDCOVOLPMKTGPD-IKGGRYGDSA-N 0 0 325.456 4.228 50 0 EIAARN Cc1ccc(CS(=O)(=O)Cc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000045353676 564028409 /nfs/dbraw/zinc/02/84/09/564028409.db2.gz QLBPVMPZIIABRK-UHFFFAOYSA-N 0 0 341.432 4.073 50 0 EIAARN CC(C)COC(=O)c1nc2ccccc2nc1NCCc1ccccc1 ZINC000045901679 564028837 /nfs/dbraw/zinc/02/88/37/564028837.db2.gz DWUPNRFLIDLPHT-UHFFFAOYSA-N 0 0 349.434 4.097 50 0 EIAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 ZINC000045927486 564028945 /nfs/dbraw/zinc/02/89/45/564028945.db2.gz SOXFKDMZIAYACE-GDBMZVCRSA-N 0 0 343.496 4.348 50 0 EIAARN Cc1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1 ZINC000045951883 564028992 /nfs/dbraw/zinc/02/89/92/564028992.db2.gz VQKLVNRJIHYSFN-UHFFFAOYSA-N 0 0 347.418 4.291 50 0 EIAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1F ZINC000045943268 564028996 /nfs/dbraw/zinc/02/89/96/564028996.db2.gz PTVBDGORNXRLGQ-UHFFFAOYSA-N 0 0 346.358 4.351 50 0 EIAARN CCn1c(=O)oc2cc(NC(=O)Nc3ccc(C)cc3Cl)ccc21 ZINC000046010049 564029092 /nfs/dbraw/zinc/02/90/92/564029092.db2.gz YIOOEMDKLSCVJS-UHFFFAOYSA-N 0 0 345.786 4.220 50 0 EIAARN Cc1cccc(NC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)c1C ZINC000046010447 564029133 /nfs/dbraw/zinc/02/91/33/564029133.db2.gz HYGTWARCFOHUCP-UHFFFAOYSA-N 0 0 339.395 4.436 50 0 EIAARN CCC(=O)Nc1cccc(C(=O)N[C@H](C)c2cc(C)sc2C)c1 ZINC000048234981 564030141 /nfs/dbraw/zinc/03/01/41/564030141.db2.gz UMEAFRDBWDMYOK-GFCCVEGCSA-N 0 0 330.453 4.204 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)NCc1nc2ccccc2s1 ZINC000048301978 564030882 /nfs/dbraw/zinc/03/08/82/564030882.db2.gz OVAIMTWAJMDQKA-UHFFFAOYSA-N 0 0 331.466 4.115 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000048313952 564031011 /nfs/dbraw/zinc/03/10/11/564031011.db2.gz DFEZRERKTNYUPY-QGZVFWFLSA-N 0 0 347.484 4.426 50 0 EIAARN O=C(CSc1ccc(F)cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000048333949 564031124 /nfs/dbraw/zinc/03/11/24/564031124.db2.gz VSERNLKMOFSALP-UHFFFAOYSA-N 0 0 345.439 4.030 50 0 EIAARN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(C)cc1Cl ZINC000048364641 564031552 /nfs/dbraw/zinc/03/15/52/564031552.db2.gz GTBIYAMZJMCRIO-UHFFFAOYSA-N 0 0 327.762 4.038 50 0 EIAARN CCCCCOc1ccc([C@@H](C)NC(=O)c2ccco2)cc1OC ZINC000048518149 564031911 /nfs/dbraw/zinc/03/19/11/564031911.db2.gz MUJXJGJVJOXOIL-CQSZACIVSA-N 0 0 331.412 4.348 50 0 EIAARN CCCCCOc1ccc([C@H](C)NC(=O)c2cc(C)no2)cc1OC ZINC000048518024 564031926 /nfs/dbraw/zinc/03/19/26/564031926.db2.gz MRMKLQXWABNQOS-AWEZNQCLSA-N 0 0 346.427 4.052 50 0 EIAARN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccncc1 ZINC000048951279 564032384 /nfs/dbraw/zinc/03/23/84/564032384.db2.gz QETNISVVQPOIQI-UHFFFAOYSA-N 0 0 327.236 4.260 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)c1 ZINC000113779077 564032915 /nfs/dbraw/zinc/03/29/15/564032915.db2.gz IDFCANBCZJPLRK-UHFFFAOYSA-N 0 0 341.361 4.234 50 0 EIAARN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000081548863 564033321 /nfs/dbraw/zinc/03/33/21/564033321.db2.gz YDLSQDWRHIWYKT-GUYCJALGSA-N 0 0 337.423 4.019 50 0 EIAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccccc1 ZINC000006752964 564033409 /nfs/dbraw/zinc/03/34/09/564033409.db2.gz FBFBQHZGCORLBG-FQEVSTJZSA-N 0 0 347.418 4.128 50 0 EIAARN COc1ccc(NC(=O)c2sc(-c3cccs3)nc2C)cc1 ZINC000006789022 564033530 /nfs/dbraw/zinc/03/35/30/564033530.db2.gz BMQSMCRRFLLDLU-UHFFFAOYSA-N 0 0 330.434 4.441 50 0 EIAARN CCOCc1ccc(CNC(=O)c2cc3ccc(C)cc3nc2C)cc1 ZINC000024745413 564033589 /nfs/dbraw/zinc/03/35/89/564033589.db2.gz QVEZVQUJHTWMGQ-UHFFFAOYSA-N 0 0 348.446 4.318 50 0 EIAARN CCOc1ccccc1NC(=O)c1cccc2c1SCCC2=O ZINC000006841536 564033614 /nfs/dbraw/zinc/03/36/14/564033614.db2.gz ZUMUTXVFXXFRMG-UHFFFAOYSA-N 0 0 327.405 4.016 50 0 EIAARN Cc1ccc2c(c1)CCCN2CCC(=O)Nc1ccccc1Cl ZINC000024891639 564034294 /nfs/dbraw/zinc/03/42/94/564034294.db2.gz XEVOTBXYHDIJIG-UHFFFAOYSA-N 0 0 328.843 4.430 50 0 EIAARN CC(C)(C)c1csc(NC(=O)c2cc3c(c(Cl)c2)OCO3)n1 ZINC000008231678 564034959 /nfs/dbraw/zinc/03/49/59/564034959.db2.gz XYSAHKBXSYXCCM-UHFFFAOYSA-N 0 0 338.816 4.075 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc3c(s1)CCC3)O[C@H](C)C2 ZINC000032756243 564036154 /nfs/dbraw/zinc/03/61/54/564036154.db2.gz PEOXLVMVRMQJNN-LLVKDONJSA-N 0 0 343.448 4.211 50 0 EIAARN COc1cc(/C=C/C(=O)N(CC2CC2)C(C)C)ccc1OC(C)C ZINC000032912884 564036267 /nfs/dbraw/zinc/03/62/67/564036267.db2.gz YPHZMMTZLPQZKS-PKNBQFBNSA-N 0 0 331.456 4.143 50 0 EIAARN Cc1nc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)no1 ZINC000032971386 564036357 /nfs/dbraw/zinc/03/63/57/564036357.db2.gz KKCWQTYHAGGMKA-UHFFFAOYSA-N 0 0 347.296 4.316 50 0 EIAARN Cc1ccc(NC(=O)CSc2ncnc3c4ccccc4[nH]c32)cc1 ZINC000033172334 564036539 /nfs/dbraw/zinc/03/65/39/564036539.db2.gz DIMNNXWTZBEFCC-UHFFFAOYSA-N 0 0 348.431 4.150 50 0 EIAARN CCOC(=O)c1cc(CC)sc1NC(=O)/C=C\c1ccccc1 ZINC000033301932 564036634 /nfs/dbraw/zinc/03/66/34/564036634.db2.gz UOSKZNGUTMIADD-KHPPLWFESA-N 0 0 329.421 4.139 50 0 EIAARN COc1ccc2cc3c(=O)n(-c4ccc(C(C)C)cc4)nc-3oc2c1 ZINC000033261843 564036644 /nfs/dbraw/zinc/03/66/44/564036644.db2.gz SCPXFBRATSGVNQ-UHFFFAOYSA-N 0 0 334.375 4.216 50 0 EIAARN CCCC[C@@H](NC(=O)Cc1ccc(SC)cc1)c1cccnc1 ZINC000223076583 564038863 /nfs/dbraw/zinc/03/88/63/564038863.db2.gz SDYWEJYYVULOLX-GOSISDBHSA-N 0 0 328.481 4.394 50 0 EIAARN CC(C)[C@@H](NC(=O)Cn1ccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000223235162 564039366 /nfs/dbraw/zinc/03/93/66/564039366.db2.gz RQKPEPLLORMRBX-HXUWFJFHSA-N 0 0 346.434 4.031 50 0 EIAARN CSc1ncc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cn1 ZINC000223507535 564040300 /nfs/dbraw/zinc/04/03/00/564040300.db2.gz NLLUSDMOCBSCMJ-MRXNPFEDSA-N 0 0 345.443 4.095 50 0 EIAARN COc1ccc(C(=O)[O-])nc1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000223624707 564040473 /nfs/dbraw/zinc/04/04/73/564040473.db2.gz WZBZBRHSAMSFFV-CQSZACIVSA-N 0 0 340.423 4.002 50 0 EIAARN c1coc(CN(Cc2cccnc2)Cc2ccc3ccccc3n2)c1 ZINC000182062462 564040815 /nfs/dbraw/zinc/04/08/15/564040815.db2.gz JVMDCEKEEIHWGG-UHFFFAOYSA-N 0 0 329.403 4.425 50 0 EIAARN CC(C)[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000225475809 564047098 /nfs/dbraw/zinc/04/70/98/564047098.db2.gz VQFHJWPPRJYXHH-AMJWSMQMSA-N 0 0 348.245 4.371 50 0 EIAARN Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2C)s1 ZINC000225688212 564049398 /nfs/dbraw/zinc/04/93/98/564049398.db2.gz CWLNIXFSFQMOAR-LBPRGKRZSA-N 0 0 330.482 4.255 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000041155709 564050392 /nfs/dbraw/zinc/05/03/92/564050392.db2.gz MYMJHVQLSTVTJZ-LLVKDONJSA-N 0 0 325.339 4.308 50 0 EIAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@H]2C1 ZINC000239038848 564051568 /nfs/dbraw/zinc/05/15/68/564051568.db2.gz FASWWPQUJBMJRU-YSGRDPCXSA-N 0 0 349.430 4.191 50 0 EIAARN C[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1nc(C(F)(F)F)cs1 ZINC000239654525 564051649 /nfs/dbraw/zinc/05/16/49/564051649.db2.gz BOECJVKZPXWXNE-MWLCHTKSSA-N 0 0 347.406 4.197 50 0 EIAARN Cc1ccc(CNC(=O)c2cc3cccc(C)c3nc2Cl)s1 ZINC000240333274 564051736 /nfs/dbraw/zinc/05/17/36/564051736.db2.gz FCQGDUQQVDMKNE-UHFFFAOYSA-N 0 0 330.840 4.497 50 0 EIAARN Cc1c(NC(=O)c2cnc3ccccc3c2C)cnn1C1CCCC1 ZINC000333097412 564053329 /nfs/dbraw/zinc/05/33/29/564053329.db2.gz DSZGDSXIMYWASC-UHFFFAOYSA-N 0 0 334.423 4.416 50 0 EIAARN CC[C@H](C)N1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000000981293 564053823 /nfs/dbraw/zinc/05/38/23/564053823.db2.gz POQSZIOMVXPHDP-RILYUOAZSA-N 0 0 340.242 4.284 50 0 EIAARN CC[C@H](C)N1C(=O)S/C(=C\c2ccccc2Br)C1=O ZINC000000981300 564053830 /nfs/dbraw/zinc/05/38/30/564053830.db2.gz HCLQPLZZNDNEBQ-RILYUOAZSA-N 0 0 340.242 4.284 50 0 EIAARN CC(=O)Nc1nnc(CCSc2cc(Cl)ccc2Cl)s1 ZINC000000991203 564053972 /nfs/dbraw/zinc/05/39/72/564053972.db2.gz YEWDGRQQXKBDIX-UHFFFAOYSA-N 0 0 348.280 4.138 50 0 EIAARN O=C1S/C(=C\c2cccc(O)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001013044 564054074 /nfs/dbraw/zinc/05/40/74/564054074.db2.gz 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/nfs/dbraw/zinc/05/66/94/564056694.db2.gz XWSXRWOFKLVRPU-QMMMGPOBSA-N 0 0 329.705 4.163 50 0 EIAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1C1CCCCC1 ZINC000005865815 564056732 /nfs/dbraw/zinc/05/67/32/564056732.db2.gz HYULSAPJGDHJCO-CYBMUJFWSA-N 0 0 344.484 4.211 50 0 EIAARN O=C(C1CCC(F)(F)CC1)N(Cc1ccccc1)c1ccncc1 ZINC000183231061 564056772 /nfs/dbraw/zinc/05/67/72/564056772.db2.gz HRSHPNWOHWNFMZ-UHFFFAOYSA-N 0 0 330.378 4.440 50 0 EIAARN CCn1c(C)cc(C(=O)COC(=O)Cc2ccc3ccccc3c2)c1C ZINC000005916513 564056971 /nfs/dbraw/zinc/05/69/71/564056971.db2.gz YRYGLQGHMKMYLR-UHFFFAOYSA-N 0 0 349.430 4.247 50 0 EIAARN Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccccc3F)nc2c1 ZINC000005927851 564057016 /nfs/dbraw/zinc/05/70/16/564057016.db2.gz SNNOOHYVJWETAJ-NSHDSACASA-N 0 0 329.400 4.130 50 0 EIAARN CC(=O)c1csc(NC(=O)c2sccc2-c2ccc(F)cc2)n1 ZINC000063473990 564057609 /nfs/dbraw/zinc/05/76/09/564057609.db2.gz FDHDFYFIGQDSCT-UHFFFAOYSA-N 0 0 346.408 4.466 50 0 EIAARN Cc1ccc2[nH]c(S[C@@H](C)C(=O)N(C)c3ccccc3)nc2c1 ZINC000006025359 564057686 /nfs/dbraw/zinc/05/76/86/564057686.db2.gz JDYRWSPYXBFQBX-ZDUSSCGKSA-N 0 0 325.437 4.015 50 0 EIAARN O=C(Cc1cccc(O)c1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000063537984 564057790 /nfs/dbraw/zinc/05/77/90/564057790.db2.gz BREYNDZCVBYMRQ-LJQANCHMSA-N 0 0 341.407 4.041 50 0 EIAARN COC(=O)c1cccc(COC(=O)c2occc2-c2ccccc2)c1 ZINC000031680252 564057950 /nfs/dbraw/zinc/05/79/50/564057950.db2.gz ADDDEBFOMNIFGJ-UHFFFAOYSA-N 0 0 336.343 4.090 50 0 EIAARN C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000012531981 564058301 /nfs/dbraw/zinc/05/83/01/564058301.db2.gz LFMKJIUYDSOLAI-HNNXBMFYSA-N 0 0 337.448 4.051 50 0 EIAARN CC(C)c1ccc(N2C(=O)CC(c3nc4ccccc4s3)=C2N)cc1 ZINC000003227180 564058561 /nfs/dbraw/zinc/05/85/61/564058561.db2.gz XXTJRSADNZHFAE-UHFFFAOYSA-N 0 0 349.459 4.484 50 0 EIAARN O=C(CSc1nc2ccccc2o1)N[C@@H]1CCCc2ccccc21 ZINC000003273526 564058888 /nfs/dbraw/zinc/05/88/88/564058888.db2.gz BUQHCWWPNQVKDC-OAHLLOKOSA-N 0 0 338.432 4.114 50 0 EIAARN Clc1ccc2c(c1)ncnc2NCCCc1nc2ccccc2[nH]1 ZINC000012548109 564058974 /nfs/dbraw/zinc/05/89/74/564058974.db2.gz XKRZFHUIZYUHMU-UHFFFAOYSA-N 0 0 337.814 4.204 50 0 EIAARN Clc1ccccc1-c1nncn1-c1ccc(Br)cc1 ZINC000012551152 564059138 /nfs/dbraw/zinc/05/91/38/564059138.db2.gz LUDKJIHJGVBGDE-UHFFFAOYSA-N 0 0 334.604 4.350 50 0 EIAARN O=C(Nc1ccccc1O)c1ccccc1SCc1cscn1 ZINC000012553327 564059277 /nfs/dbraw/zinc/05/92/77/564059277.db2.gz QPEDOFBPWSQDKR-UHFFFAOYSA-N 0 0 342.445 4.393 50 0 EIAARN O=C(NCCCn1cnc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000012559922 564059457 /nfs/dbraw/zinc/05/94/57/564059457.db2.gz ZZYHHGCFDMXZMJ-UHFFFAOYSA-N 0 0 348.233 4.163 50 0 EIAARN Cn1c2ccccc2nc1SCSc1nc2ccccc2n1C ZINC000012574934 564059972 /nfs/dbraw/zinc/05/99/72/564059972.db2.gz SBWOXTGBZGZFBY-UHFFFAOYSA-N 0 0 340.477 4.302 50 0 EIAARN O=C(NCc1cccs1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447761 564060121 /nfs/dbraw/zinc/06/01/21/564060121.db2.gz WSEPDOKAPAGMEY-UHFFFAOYSA-N 0 0 334.388 4.084 50 0 EIAARN CCN(C(=O)Cn1c2ccccc2nc1-c1ccco1)c1ccccc1 ZINC000012604318 564060471 /nfs/dbraw/zinc/06/04/71/564060471.db2.gz CCVDEJYHQVUIKB-UHFFFAOYSA-N 0 0 345.402 4.349 50 0 EIAARN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000012619995 564060735 /nfs/dbraw/zinc/06/07/35/564060735.db2.gz HJPVQPBHXXWYMD-ZDUSSCGKSA-N 0 0 348.240 4.472 50 0 EIAARN Cc1cc(-c2ccc(C(=O)N3CCCCCCC3)cc2)c(=O)[nH]c1C ZINC000534588174 564061187 /nfs/dbraw/zinc/06/11/87/564061187.db2.gz NPCOBKQGNGVQPH-UHFFFAOYSA-N 0 0 338.451 4.477 50 0 EIAARN Cc1cnc(NC(=O)c2ccc(OCc3cccs3)cc2)s1 ZINC000031876943 564061244 /nfs/dbraw/zinc/06/12/44/564061244.db2.gz XNUQZNMXBVMTGZ-UHFFFAOYSA-N 0 0 330.434 4.344 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)NCc3ccccc3Cl)cs2)o1 ZINC000031873885 564061270 /nfs/dbraw/zinc/06/12/70/564061270.db2.gz YKOYLCQIPITDDZ-UHFFFAOYSA-N 0 0 346.839 4.224 50 0 EIAARN CCOc1ccc([C@@H](CC)NC(=O)N(C)Cc2ccnc(C)c2)cc1 ZINC000534653027 564061399 /nfs/dbraw/zinc/06/13/99/564061399.db2.gz VOUOLYRBQMILAK-LJQANCHMSA-N 0 0 341.455 4.081 50 0 EIAARN CC(C)c1ncc(-c2ccc(C(=O)N(C)Cc3ccon3)cc2)s1 ZINC000534659658 564061485 /nfs/dbraw/zinc/06/14/85/564061485.db2.gz MMGYWYNVXWTEIL-UHFFFAOYSA-N 0 0 341.436 4.194 50 0 EIAARN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C(C)C)C2CCOCC2)cc1 ZINC000078182763 564061852 /nfs/dbraw/zinc/06/18/52/564061852.db2.gz YNVVKLXVRRYOMU-WOJBJXKFSA-N 0 0 329.484 4.330 50 0 EIAARN CCOC(=O)Cc1nnc(Nc2ccc(C)cc2C)c2ccccc12 ZINC000001254569 564062742 /nfs/dbraw/zinc/06/27/42/564062742.db2.gz HKQZGVNMEXLACI-UHFFFAOYSA-N 0 0 335.407 4.096 50 0 EIAARN CCn1nc(NC(=O)c2cccc(C)c2)c2cc3cccc(C)c3nc21 ZINC000001275387 564062863 /nfs/dbraw/zinc/06/28/63/564062863.db2.gz AVTYCOQFEUMFPD-UHFFFAOYSA-N 0 0 344.418 4.474 50 0 EIAARN CCn1nc(NC(=O)c2cccc(C)c2)c2cc3cc(C)ccc3nc21 ZINC000001273144 564062880 /nfs/dbraw/zinc/06/28/80/564062880.db2.gz YPMFXRDXFCWZJS-UHFFFAOYSA-N 0 0 344.418 4.474 50 0 EIAARN O=C(c1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001358633 564063360 /nfs/dbraw/zinc/06/33/60/564063360.db2.gz IVSNKYLAAVTUPH-UHFFFAOYSA-N 0 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564065326 /nfs/dbraw/zinc/06/53/26/564065326.db2.gz KTZJKRXBDOJDLY-UHFFFAOYSA-N 0 0 330.811 4.407 50 0 EIAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccncc2)cc1C ZINC000012740959 564065348 /nfs/dbraw/zinc/06/53/48/564065348.db2.gz XBNNKGYGLAJRQV-UHFFFAOYSA-N 0 0 335.432 4.497 50 0 EIAARN O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000083991828 564065656 /nfs/dbraw/zinc/06/56/56/564065656.db2.gz FEJIBIUWVHWYOD-SFHVURJKSA-N 0 0 336.391 4.047 50 0 EIAARN Cc1c([C@H](C)NC(=S)Nc2cc(Cl)ccc2Cl)cnn1C ZINC000002782197 564065717 /nfs/dbraw/zinc/06/57/17/564065717.db2.gz WEGWMWBNUHRPAT-QMMMGPOBSA-N 0 0 343.283 4.083 50 0 EIAARN Cc1c(Cl)c(CN2CCO[C@H]3CCCC[C@@H]32)nc2ccccc12 ZINC000084068108 564066092 /nfs/dbraw/zinc/06/60/92/564066092.db2.gz DJQQEJJRDGZHND-ROUUACIJSA-N 0 0 330.859 4.340 50 0 EIAARN Cc1c2ccccc2oc(=O)c1C(=O)Nc1cc(F)c(F)cc1Cl ZINC000084068128 564066136 /nfs/dbraw/zinc/06/61/36/564066136.db2.gz AHDJZIHQNRIGJG-UHFFFAOYSA-N 0 0 349.720 4.285 50 0 EIAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Br)c[nH]1 ZINC000012756227 564067256 /nfs/dbraw/zinc/06/72/56/564067256.db2.gz QUQQTNPUMYAIND-UHFFFAOYSA-N 0 0 348.225 4.153 50 0 EIAARN Cn1c(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc2ccccc21 ZINC000084313915 564067783 /nfs/dbraw/zinc/06/77/83/564067783.db2.gz NCWNMLULMWXKTI-UHFFFAOYSA-N 0 0 344.374 4.013 50 0 EIAARN FC(F)(F)c1cccnc1NCc1ccnc(OC2CCCC2)c1 ZINC000084357954 564067883 /nfs/dbraw/zinc/06/78/83/564067883.db2.gz FASGWJZLMDSARL-UHFFFAOYSA-N 0 0 337.345 4.429 50 0 EIAARN CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000084544367 564068647 /nfs/dbraw/zinc/06/86/47/564068647.db2.gz KZKZRVLFOMHLOG-DLBZAZTESA-N 0 0 335.875 4.107 50 0 EIAARN O=C(CCc1cnn(-c2ccccc2)c1)O[C@@H]1CCCc2ccccc21 ZINC000084573025 564068751 /nfs/dbraw/zinc/06/87/51/564068751.db2.gz ZNSYJRCLNCDKGJ-OAQYLSRUSA-N 0 0 346.430 4.426 50 0 EIAARN O=C(CCC(=O)c1cccs1)OCc1cc(-c2ccccc2)no1 ZINC000012774848 564069218 /nfs/dbraw/zinc/06/92/18/564069218.db2.gz UFQUCMQQUAVIOG-UHFFFAOYSA-N 0 0 341.388 4.109 50 0 EIAARN CC(C)c1noc([C@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000084631083 564069224 /nfs/dbraw/zinc/06/92/24/564069224.db2.gz GEXXKUVNEVDXMB-ZDUSSCGKSA-N 0 0 340.427 4.275 50 0 EIAARN C[C@H](CNC(=O)Nc1cccc(F)c1)c1nc2ccccc2s1 ZINC000084638437 564069302 /nfs/dbraw/zinc/06/93/02/564069302.db2.gz RVNXNFDRJHHBRC-LLVKDONJSA-N 0 0 329.400 4.361 50 0 EIAARN C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccccc1C(F)(F)F ZINC000084660529 564069456 /nfs/dbraw/zinc/06/94/56/564069456.db2.gz JGHBFLTVJGVMJD-QMMMGPOBSA-N 0 0 345.267 4.180 50 0 EIAARN Cc1cc2ncn([C@H](C)c3nc(-c4cnn(C)c4)cs3)c2cc1C ZINC000084728301 564069881 /nfs/dbraw/zinc/06/98/81/564069881.db2.gz IFCFTOAROMWHRL-CYBMUJFWSA-N 0 0 337.452 4.119 50 0 EIAARN CCCn1nccc1NC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000084759134 564070080 /nfs/dbraw/zinc/07/00/80/564070080.db2.gz RZEHKICELCSIJK-XLIONFOSSA-N 0 0 338.455 4.226 50 0 EIAARN COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(C(C)C)cc1 ZINC000012783899 564070120 /nfs/dbraw/zinc/07/01/20/564070120.db2.gz QUULVUQYBKNPFR-UHFFFAOYSA-N 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329.450 4.119 50 0 EIAARN COc1cccc2c(C)cc(SCC(=O)NC3CCCCC3)nc12 ZINC000011907534 564072955 /nfs/dbraw/zinc/07/29/55/564072955.db2.gz SWCXSTBJHKGSAU-UHFFFAOYSA-N 0 0 344.480 4.093 50 0 EIAARN Cc1csc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)n1 ZINC000011907383 564072959 /nfs/dbraw/zinc/07/29/59/564072959.db2.gz VKBPYEFDJIFEIU-LLVKDONJSA-N 0 0 329.450 4.119 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3F)c12 ZINC000012817502 564073150 /nfs/dbraw/zinc/07/31/50/564073150.db2.gz STGSDWWMGMUQHF-UHFFFAOYSA-N 0 0 345.761 4.453 50 0 EIAARN Cc1cnc(NC(=O)COc2ccc(Oc3ccccc3)cc2)s1 ZINC000012817297 564073152 /nfs/dbraw/zinc/07/31/52/564073152.db2.gz ULAWVLIXPMCCPP-UHFFFAOYSA-N 0 0 340.404 4.261 50 0 EIAARN Cc1ccc(-c2csc3nc(C)n(-n4c(C)ccc4C)c(=O)c23)o1 ZINC000001465802 564073255 /nfs/dbraw/zinc/07/32/55/564073255.db2.gz GDUFNFVJXGKNQI-UHFFFAOYSA-N 0 0 339.420 4.065 50 0 EIAARN COCCN(Cc1ccoc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000085474342 564073559 /nfs/dbraw/zinc/07/35/59/564073559.db2.gz UQFDKOFPEWQACB-UHFFFAOYSA-N 0 0 335.403 4.235 50 0 EIAARN COc1ccc(Cl)c(NC(=O)c2nn(-c3ccccc3)cc2C)c1 ZINC000185383298 564073576 /nfs/dbraw/zinc/07/35/76/564073576.db2.gz HAINQCLWXRHHBE-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCc2ccccc2C1 ZINC000006084854 564073687 /nfs/dbraw/zinc/07/36/87/564073687.db2.gz BERSTKLDRUWUOL-GFCCVEGCSA-N 0 0 349.261 4.379 50 0 EIAARN CCN(CC)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)c(C)c1 ZINC000015786124 564074825 /nfs/dbraw/zinc/07/48/25/564074825.db2.gz VMSYKFHGPZDGLK-KRWDZBQOSA-N 0 0 338.451 4.031 50 0 EIAARN Cc1cccc(CNC(=O)c2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000015786955 564074927 /nfs/dbraw/zinc/07/49/27/564074927.db2.gz GYQUCQMABCWZHX-UHFFFAOYSA-N 0 0 333.435 4.001 50 0 EIAARN Cc1noc(C2CC2)c1NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000185867989 564074952 /nfs/dbraw/zinc/07/49/52/564074952.db2.gz FITDDRPTVJYQSX-AWEZNQCLSA-N 0 0 343.402 4.096 50 0 EIAARN CCc1cccc(CC)c1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000006125524 564075194 /nfs/dbraw/zinc/07/51/94/564075194.db2.gz ZSRADVKQPSCHGV-UHFFFAOYSA-N 0 0 327.424 4.010 50 0 EIAARN CC(=O)Nc1c(C)ccc(NCCCOCCc2ccccc2)c1C ZINC000086202663 564075324 /nfs/dbraw/zinc/07/53/24/564075324.db2.gz ITPLPPNKZSMEBG-UHFFFAOYSA-N 0 0 340.467 4.323 50 0 EIAARN FC(F)(F)Oc1cccc(NCc2nnc(Cc3ccccc3)o2)c1 ZINC000086197534 564075327 /nfs/dbraw/zinc/07/53/27/564075327.db2.gz DELKFAKVDKVYKT-UHFFFAOYSA-N 0 0 349.312 4.171 50 0 EIAARN CSc1cccc(NC(=O)c2sc(-c3ccccn3)nc2C)c1 ZINC000012853179 564075423 /nfs/dbraw/zinc/07/54/23/564075423.db2.gz MKTNGOOMPOMOHB-UHFFFAOYSA-N 0 0 341.461 4.488 50 0 EIAARN S=c1scnn1CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012863753 564075798 /nfs/dbraw/zinc/07/57/98/564075798.db2.gz CIJRNEOMLAVZDP-HNNXBMFYSA-N 0 0 345.518 4.341 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000012861651 564075799 /nfs/dbraw/zinc/07/57/99/564075799.db2.gz YOYPBNLOUSJLPG-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000006152699 564076850 /nfs/dbraw/zinc/07/68/50/564076850.db2.gz MSNHQOMBKWRJCB-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN CC1(C)Cc2cccc(OCC(=O)Nc3cccc(Cl)c3)c2O1 ZINC000006152356 564076872 /nfs/dbraw/zinc/07/68/72/564076872.db2.gz UCCCXDMEWFWFNS-UHFFFAOYSA-N 0 0 331.799 4.071 50 0 EIAARN Cc1ccc(CNc2nccn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000015864503 564077153 /nfs/dbraw/zinc/07/71/53/564077153.db2.gz CJGNUOZKEQHWNQ-UHFFFAOYSA-N 0 0 333.435 4.276 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(CNC(=O)c3ccccc3)o2)c(C)c1 ZINC000015868113 564077278 /nfs/dbraw/zinc/07/72/78/564077278.db2.gz VRTLEHILTODFAY-UHFFFAOYSA-N 0 0 348.402 4.079 50 0 EIAARN Cc1ccc(Cn2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2=O)cc1 ZINC000015883146 564077452 /nfs/dbraw/zinc/07/74/52/564077452.db2.gz MASJCKREPOGJMD-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1 ZINC000012905813 564077838 /nfs/dbraw/zinc/07/78/38/564077838.db2.gz BKSKYJLWHXHNLI-LBPRGKRZSA-N 0 0 342.826 4.180 50 0 EIAARN CCOc1c(Cl)cc(C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000012910552 564077917 /nfs/dbraw/zinc/07/79/17/564077917.db2.gz QGARTGDVLKWJQF-MRXNPFEDSA-N 0 0 345.826 4.165 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000012935167 564079175 /nfs/dbraw/zinc/07/91/75/564079175.db2.gz WIZUUEJMMGYNQV-UHFFFAOYSA-N 0 0 336.435 4.498 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1OC[C@H]1CCCO1 ZINC000012937195 564079321 /nfs/dbraw/zinc/07/93/21/564079321.db2.gz IMGTWWKZSOWPHV-CYBMUJFWSA-N 0 0 349.789 4.289 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)c2ccc3ccccc3n2)c1 ZINC000012947393 564079728 /nfs/dbraw/zinc/07/97/28/564079728.db2.gz IHAHUFUETPJHLJ-UHFFFAOYSA-N 0 0 336.391 4.285 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000075106622 564080126 /nfs/dbraw/zinc/08/01/26/564080126.db2.gz UBTPKXWOYIAHBL-CABCVRRESA-N 0 0 335.856 4.130 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)N(CCc1cccs1)C1CC1 ZINC000075154833 564080856 /nfs/dbraw/zinc/08/08/56/564080856.db2.gz YVAUGZJLTSVCAB-UHFFFAOYSA-N 0 0 334.872 4.318 50 0 EIAARN O=C(CSCc1ccccc1)N1CCC(c2ccsc2)CC1 ZINC000075157130 564080881 /nfs/dbraw/zinc/08/08/81/564080881.db2.gz SVFYBOUWVJHPTK-UHFFFAOYSA-N 0 0 331.506 4.388 50 0 EIAARN O=C(COc1ccc(Cl)cc1)N1CCC(c2ccsc2)CC1 ZINC000075157136 564080936 /nfs/dbraw/zinc/08/09/36/564080936.db2.gz INWQPGHNUFUSHA-UHFFFAOYSA-N 0 0 335.856 4.187 50 0 EIAARN COc1cccc(COC(=O)c2c3c(nc4ccccc42)CCC3)c1 ZINC000016208208 564080963 /nfs/dbraw/zinc/08/09/63/564080963.db2.gz BKPQXNVHLKQQAI-UHFFFAOYSA-N 0 0 333.387 4.089 50 0 EIAARN COc1ccc(C(=O)CCCCC(=O)c2ccc(OC)cc2)cc1 ZINC000001595846 564081699 /nfs/dbraw/zinc/08/16/99/564081699.db2.gz JQRBVENMUYHRHT-UHFFFAOYSA-N 0 0 326.392 4.330 50 0 EIAARN Cc1cnn(CC2CC2)c1NC(=O)c1cc2c(s1)CCCCC2 ZINC000063848686 564081827 /nfs/dbraw/zinc/08/18/27/564081827.db2.gz FETBPJRBQSHIFN-UHFFFAOYSA-N 0 0 329.469 4.184 50 0 EIAARN COC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1 ZINC000146538150 564082103 /nfs/dbraw/zinc/08/21/03/564082103.db2.gz GEGKWPBAXXXQEU-UHFFFAOYSA-N 0 0 331.586 4.078 50 0 EIAARN CCOc1ccc(C(=O)NCc2ccc(-c3ccsc3)o2)cc1 ZINC000575610521 564082579 /nfs/dbraw/zinc/08/25/79/564082579.db2.gz PGKYDCWXCFIXJG-UHFFFAOYSA-N 0 0 327.405 4.337 50 0 EIAARN O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2ccsc2)o1 ZINC000575610419 564082581 /nfs/dbraw/zinc/08/25/81/564082581.db2.gz MKUQIZOAZPBDQX-UHFFFAOYSA-N 0 0 347.823 4.357 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)o1)NCc1ccc(Cl)cc1 ZINC000575611304 564082634 /nfs/dbraw/zinc/08/26/34/564082634.db2.gz UOLZHTCKGXZDSZ-UHFFFAOYSA-N 0 0 330.771 4.192 50 0 EIAARN CCCCc1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1 ZINC000006204260 564082812 /nfs/dbraw/zinc/08/28/12/564082812.db2.gz RZYPSKSIZORLBU-UHFFFAOYSA-N 0 0 347.361 4.103 50 0 EIAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000006208556 564082935 /nfs/dbraw/zinc/08/29/35/564082935.db2.gz KNVHKXAGXDSJPW-INIZCTEOSA-N 0 0 338.838 4.479 50 0 EIAARN FC(F)(F)C=NC1=NNC(c2ccccc2)[C@@H](c2ccccc2)S1 ZINC000063890655 564083023 /nfs/dbraw/zinc/08/30/23/564083023.db2.gz RDNFICAJQOCLJD-OAHLLOKOSA-N 0 0 349.381 4.387 50 0 EIAARN O=C(Cc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(F)cc1 ZINC000006221717 564083040 /nfs/dbraw/zinc/08/30/40/564083040.db2.gz IURBBDFWBKEBII-UHFFFAOYSA-N 0 0 332.684 4.074 50 0 EIAARN Clc1ccc(-c2nnc(-c3ccco3)nc2N2CCCC2)cc1 ZINC000006222019 564083041 /nfs/dbraw/zinc/08/30/41/564083041.db2.gz NXCHZAATADKRGB-UHFFFAOYSA-N 0 0 326.787 4.052 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006254953 564083268 /nfs/dbraw/zinc/08/32/68/564083268.db2.gz ZBMSWLUICWPTQG-UHFFFAOYSA-N 0 0 347.480 4.306 50 0 EIAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Br)o1 ZINC000006253726 564083293 /nfs/dbraw/zinc/08/32/93/564083293.db2.gz AIZHEQQBGRHMOD-VIFPVBQESA-N 0 0 338.176 4.163 50 0 EIAARN CC(C)(C)n1nccc1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000190588881 564083398 /nfs/dbraw/zinc/08/33/98/564083398.db2.gz XMEKOLNRFCDIHG-UHFFFAOYSA-N 0 0 332.473 4.111 50 0 EIAARN C/C(=C\c1ccccc1)C(=O)N1CC[C@H](n2c(C)nc3ccccc32)C1 ZINC000575618178 564083616 /nfs/dbraw/zinc/08/36/16/564083616.db2.gz SZIJQTVOYJRFLL-IDCODDLRSA-N 0 0 345.446 4.222 50 0 EIAARN O=C(Cc1ccc(Cl)cc1Cl)NCCc1ccc(F)cc1 ZINC000006305371 564083773 /nfs/dbraw/zinc/08/37/73/564083773.db2.gz QZHRVRNXQRDOQX-UHFFFAOYSA-N 0 0 326.198 4.034 50 0 EIAARN C[C@H](Cc1csc2ccccc12)NC(=O)[C@@H](C)Oc1ccccc1 ZINC000575620766 564083907 /nfs/dbraw/zinc/08/39/07/564083907.db2.gz LZOYOSMABYTEKZ-HUUCEWRRSA-N 0 0 339.460 4.416 50 0 EIAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000102422812 564084246 /nfs/dbraw/zinc/08/42/46/564084246.db2.gz RIAHUMHFOFRFFL-ZWKOTPCHSA-N 0 0 336.479 4.013 50 0 EIAARN O=C1c2ccccc2[C@H]2C[C@@H](Oc3ccccc3)N1N2c1ccccc1 ZINC000225368906 564084322 /nfs/dbraw/zinc/08/43/22/564084322.db2.gz KCCOAQWYRISVFM-NHCUHLMSSA-N 0 0 342.398 4.414 50 0 EIAARN CCOc1ccc2[nH]c(SCC(=O)c3ccc(CC)cc3)nc2c1 ZINC000006314034 564084506 /nfs/dbraw/zinc/08/45/06/564084506.db2.gz ISGFQWAROARZTQ-UHFFFAOYSA-N 0 0 340.448 4.499 50 0 EIAARN O=C(CSCc1c(F)cccc1Cl)NCc1cccs1 ZINC000006313809 564084516 /nfs/dbraw/zinc/08/45/16/564084516.db2.gz NFCPQUNVAFQUAV-UHFFFAOYSA-N 0 0 329.849 4.090 50 0 EIAARN COc1ccc(NC(=O)c2cc3ccc4ccc(C)nc4c3[nH]2)cc1 ZINC000075421511 564084584 /nfs/dbraw/zinc/08/45/84/564084584.db2.gz KUNWYPRIAIAMQE-UHFFFAOYSA-N 0 0 331.375 4.285 50 0 EIAARN O=C(NCc1ccccc1)N1CCC(Cn2ccc3ccccc32)CC1 ZINC000090608802 564084924 /nfs/dbraw/zinc/08/49/24/564084924.db2.gz FPXDWVYSZDCDFS-UHFFFAOYSA-N 0 0 347.462 4.263 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000006328618 564085076 /nfs/dbraw/zinc/08/50/76/564085076.db2.gz FFWLVPQWDSLPBJ-UHFFFAOYSA-N 0 0 345.826 4.379 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c(C)c1 ZINC000006340397 564085114 /nfs/dbraw/zinc/08/51/14/564085114.db2.gz HIBKIXMDONDDTM-UHFFFAOYSA-N 0 0 325.408 4.034 50 0 EIAARN Cc1ccc(Cl)cc1N1C(=S)N=NC1CCc1ccccc1 ZINC000006401155 564085567 /nfs/dbraw/zinc/08/55/67/564085567.db2.gz ILBJAKDJBYAKAZ-UHFFFAOYSA-N 0 0 329.856 4.303 50 0 EIAARN O=S(=O)([N-]c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000006416343 564085613 /nfs/dbraw/zinc/08/56/13/564085613.db2.gz JQMSSVOQFKVUAK-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN CCCc1nc2cc(CCC(=O)Nc3cc(F)cc(F)c3)ccc2[nH]1 ZINC000075465693 564086010 /nfs/dbraw/zinc/08/60/10/564086010.db2.gz JNUDLVKNHKTFLA-UHFFFAOYSA-N 0 0 343.377 4.365 50 0 EIAARN CCc1nnc(SCc2cccc(OC)c2)c2cc3occc3n21 ZINC000006894210 564086154 /nfs/dbraw/zinc/08/61/54/564086154.db2.gz CXDXAZXDHPCMBW-UHFFFAOYSA-N 0 0 339.420 4.339 50 0 EIAARN Cc1ccc(Nc2ccc3c4c2cccc4C(=O)NC3=O)cc1Cl ZINC000075250045 564086213 /nfs/dbraw/zinc/08/62/13/564086213.db2.gz UIMJNQIBBJRRSG-UHFFFAOYSA-N 0 0 336.778 4.429 50 0 EIAARN CCCCn1nc(C(=O)Nc2cc(C)ccc2C)c2ccccc2c1=O ZINC000006429950 564086215 /nfs/dbraw/zinc/08/62/15/564086215.db2.gz JWXNWKLDTFYWRL-UHFFFAOYSA-N 0 0 349.434 4.066 50 0 EIAARN Fc1ccc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)cc1 ZINC000013009206 564086449 /nfs/dbraw/zinc/08/64/49/564086449.db2.gz YKRBUYWZZNJKGC-AWEZNQCLSA-N 0 0 329.400 4.274 50 0 EIAARN CSc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000013017472 564086837 /nfs/dbraw/zinc/08/68/37/564086837.db2.gz PUKLZJYNCDERNH-MRXNPFEDSA-N 0 0 342.508 4.484 50 0 EIAARN Cc1nnc(-c2cc(NC(=O)c3cccc4[nH]ccc43)c(C)s2)o1 ZINC000075487968 564087047 /nfs/dbraw/zinc/08/70/47/564087047.db2.gz TUADDFVCSFRUEL-UHFFFAOYSA-N 0 0 338.392 4.149 50 0 EIAARN O=C(NCCCC(F)(F)F)c1ccc(Br)cc1Cl ZINC000266472280 564087188 /nfs/dbraw/zinc/08/71/88/564087188.db2.gz CAUZINFDOGCCHV-UHFFFAOYSA-N 0 0 344.558 4.175 50 0 EIAARN Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 ZINC000001783092 564087585 /nfs/dbraw/zinc/08/75/85/564087585.db2.gz FUGUGPASXODPKI-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN Cc1sc(-c2cc[nH]n2)cc1NC(=O)c1cc(Cl)ccc1F ZINC000075519294 564087633 /nfs/dbraw/zinc/08/76/33/564087633.db2.gz SXYHIFZLYPBIFQ-UHFFFAOYSA-N 0 0 335.791 4.491 50 0 EIAARN COCC/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(Cl)cc21 ZINC000001791688 564087687 /nfs/dbraw/zinc/08/76/87/564087687.db2.gz SFXQDEXSKGZZCN-HEHNFIMWSA-N 0 0 343.810 4.309 50 0 EIAARN Cc1[nH]nc(NC(=O)COc2cc(C)cc(C)c2)c1-c1ccccc1 ZINC000075544595 564088600 /nfs/dbraw/zinc/08/86/00/564088600.db2.gz DPKCGUXEDQTTCV-UHFFFAOYSA-N 0 0 335.407 4.019 50 0 EIAARN CCN1C(=O)CCc2cc(NC(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000075549991 564089306 /nfs/dbraw/zinc/08/93/06/564089306.db2.gz QYDBEFKIHLKBEU-UHFFFAOYSA-N 0 0 346.789 4.031 50 0 EIAARN C[C@H](OC(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000001922421 564090264 /nfs/dbraw/zinc/09/02/64/564090264.db2.gz FLLIGTSAZGRQBT-QMMMGPOBSA-N 0 0 344.219 4.239 50 0 EIAARN CCCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000001927077 564090284 /nfs/dbraw/zinc/09/02/84/564090284.db2.gz HMCWWZASDNMFIT-UHFFFAOYSA-N 0 0 335.451 4.465 50 0 EIAARN CCC(=O)N(CC[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000000102359 564090450 /nfs/dbraw/zinc/09/04/50/564090450.db2.gz RORFEHRCSGKUHD-INIZCTEOSA-N 0 0 333.472 4.029 50 0 biogenic EIAARN CC(=O)c1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000000488484 564090505 /nfs/dbraw/zinc/09/05/05/564090505.db2.gz PGTHPAKSAOZVOR-SFHVURJKSA-N 0 0 339.464 4.208 50 0 biogenic EIAARN Cc1noc(C)c1C(=O)Oc1ccc2cc(Br)ccc2c1 ZINC000003533530 564090809 /nfs/dbraw/zinc/09/08/09/564090809.db2.gz KWSMRZZKBHTUFT-UHFFFAOYSA-N 0 0 346.180 4.426 50 0 EIAARN C[C@H]1CCC[C@@H](OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 ZINC000521394008 564090862 /nfs/dbraw/zinc/09/08/62/564090862.db2.gz HSNAAGPUGCCJQJ-LKCYJCQHSA-N 0 0 342.439 4.410 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1 ZINC000006507448 564091142 /nfs/dbraw/zinc/09/11/42/564091142.db2.gz MXHGDSCJSSHONN-UHFFFAOYSA-N 0 0 343.452 4.287 50 0 EIAARN Cc1ccc2cc(CN(C(=O)C(C)C)c3ccccc3)c(=O)[nH]c2c1 ZINC000006522044 564091468 /nfs/dbraw/zinc/09/14/68/564091468.db2.gz ZRDQHINRBSVYSM-UHFFFAOYSA-N 0 0 334.419 4.026 50 0 EIAARN O=c1c2ccccc2nc(SC[C@H]2CCCCO2)n1C1CCCC1 ZINC000006531225 564091631 /nfs/dbraw/zinc/09/16/31/564091631.db2.gz LIUMBRLXEFDVKR-OAHLLOKOSA-N 0 0 344.480 4.173 50 0 EIAARN Cc1ccc(CCCNC(=O)c2cnc(Cl)c(Cl)c2)c(C)c1 ZINC000006547426 564091858 /nfs/dbraw/zinc/09/18/58/564091858.db2.gz WLKIPIJLFUTJKH-UHFFFAOYSA-N 0 0 337.250 4.368 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccccc1Cl ZINC000006543490 564091916 /nfs/dbraw/zinc/09/19/16/564091916.db2.gz TWPGOMNMDQCQFE-UHFFFAOYSA-N 0 0 325.755 4.175 50 0 EIAARN CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1ccc2ccccc2c1 ZINC000064567332 564092218 /nfs/dbraw/zinc/09/22/18/564092218.db2.gz IVLJVIGZCMZWDD-FQEVSTJZSA-N 0 0 334.350 4.218 50 0 EIAARN COc1cc(OC)c(NC(=O)CCCOc2ccccc2)cc1Cl ZINC000006580091 564092221 /nfs/dbraw/zinc/09/22/21/564092221.db2.gz OSGYLLJNGSDMFK-UHFFFAOYSA-N 0 0 349.814 4.155 50 0 EIAARN COc1ccc(-c2nc(SCCCc3ccccc3)n[nH]2)cc1 ZINC000006586733 564092302 /nfs/dbraw/zinc/09/23/02/564092302.db2.gz WGDRIHFHOIDQIN-UHFFFAOYSA-N 0 0 325.437 4.205 50 0 EIAARN CC(C)COC(=O)c1nc2ccccc2nc1NCc1ccccc1 ZINC000064580513 564092462 /nfs/dbraw/zinc/09/24/62/564092462.db2.gz FYIWYXYGAHFZOV-UHFFFAOYSA-N 0 0 335.407 4.055 50 0 EIAARN C[C@@H](Nc1ccc2c(c1)OCCCO2)c1nc(-c2cccs2)no1 ZINC000026994068 564092782 /nfs/dbraw/zinc/09/27/82/564092782.db2.gz OISSBMCALOSVRX-LLVKDONJSA-N 0 0 343.408 4.133 50 0 EIAARN CC(C)c1noc([C@H](C)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000192753537 564093094 /nfs/dbraw/zinc/09/30/94/564093094.db2.gz DKSRRGLLRSZUNQ-ZOBUZTSGSA-N 0 0 329.444 4.012 50 0 EIAARN CCCN(CCOC)C(=O)c1cccc(-c2ccc(O)c(Cl)c2)c1 ZINC000426362074 564093463 /nfs/dbraw/zinc/09/34/63/564093463.db2.gz RSTJBGIFKIETHV-UHFFFAOYSA-N 0 0 347.842 4.211 50 0 EIAARN CO[C@H]1CCCN(C(=O)c2ccc(-c3cc(F)ccc3C)cc2)C1 ZINC000426484796 564093850 /nfs/dbraw/zinc/09/38/50/564093850.db2.gz NSDQPYRJBPRGNN-SFHVURJKSA-N 0 0 327.399 4.052 50 0 EIAARN O=C(c1cccc(-c2ccccc2CO)c1)N1C[C@@H]2CCC[C@@H](C2)C1 ZINC000426584707 564094189 /nfs/dbraw/zinc/09/41/89/564094189.db2.gz NBNJWCYTCGGDSV-CALCHBBNSA-N 0 0 335.447 4.108 50 0 EIAARN O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CCC2(CCCO2)CC1 ZINC000426584647 564094199 /nfs/dbraw/zinc/09/41/99/564094199.db2.gz HOSIVQJHTOYOAF-RBUKOAKNSA-N 0 0 342.483 4.067 50 0 EIAARN CC(C)c1ncc(-c2ccccc2S(=O)(=O)NC(C)(C)C)s1 ZINC000426615213 564094242 /nfs/dbraw/zinc/09/42/42/564094242.db2.gz VANUTXMRTXPEGL-UHFFFAOYSA-N 0 0 338.498 4.010 50 0 EIAARN Cc1ccc(-c2noc3c2ncnc3NCc2ccccc2F)cc1 ZINC000064658407 564094690 /nfs/dbraw/zinc/09/46/90/564094690.db2.gz RKLJOWPEFVALQP-UHFFFAOYSA-N 0 0 334.354 4.344 50 0 EIAARN CC(C)CCC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000006628267 564094707 /nfs/dbraw/zinc/09/47/07/564094707.db2.gz ZIWGGQFWIFNRPJ-NSHDSACASA-N 0 0 338.300 4.487 50 0 EIAARN COc1ccc(-c2nc3cnccn3c2NCc2ccccc2)cc1 ZINC000064656239 564094733 /nfs/dbraw/zinc/09/47/33/564094733.db2.gz YSJKBOFEVWREHD-UHFFFAOYSA-N 0 0 330.391 4.017 50 0 EIAARN Cc1ccc2c(cnn2C(=O)Nc2cccc(Br)c2)c1 ZINC000064662569 564094861 /nfs/dbraw/zinc/09/48/61/564094861.db2.gz POEJTINIVVALTC-UHFFFAOYSA-N 0 0 330.185 4.187 50 0 EIAARN Cn1c(SCc2cc3ccccc3nc2Cl)nnc1C1CC1 ZINC000006649095 564095096 /nfs/dbraw/zinc/09/50/96/564095096.db2.gz JJEHLTXJQLCGJJ-UHFFFAOYSA-N 0 0 330.844 4.186 50 0 EIAARN CCCCN(C)c1ccc(-c2nc(-c3ccc(OC)cc3)no2)cn1 ZINC000064676829 564095218 /nfs/dbraw/zinc/09/52/18/564095218.db2.gz USLGEPMUHGRSHD-UHFFFAOYSA-N 0 0 338.411 4.044 50 0 EIAARN c1csc(-c2nnc3sc(-c4ccc5ccccc5n4)nn32)c1 ZINC000006668745 564095705 /nfs/dbraw/zinc/09/57/05/564095705.db2.gz JZGUWMHDHAFWLJ-UHFFFAOYSA-N 0 0 335.417 4.130 50 0 EIAARN Cc1ccc(-c2nnc(-c3ccc(N4CCC(C)CC4)nc3)o2)cc1 ZINC000064755888 564095920 /nfs/dbraw/zinc/09/59/20/564095920.db2.gz DKGXSHNAYOXOJH-UHFFFAOYSA-N 0 0 334.423 4.343 50 0 EIAARN COc1c2cc(F)ccc2sc1C(=O)NCc1cccc(C)c1 ZINC000064756512 564095963 /nfs/dbraw/zinc/09/59/63/564095963.db2.gz ZBTTWKBFYBWKHE-UHFFFAOYSA-N 0 0 329.396 4.287 50 0 EIAARN Cc1ccccc1NC(=O)c1cc(C)n2nc(-c3ccsc3)cc2n1 ZINC000064760157 564096028 /nfs/dbraw/zinc/09/60/28/564096028.db2.gz LZTAHPQNWRPUFI-UHFFFAOYSA-N 0 0 348.431 4.327 50 0 EIAARN CCN1c2ccc(Br)cc2[C@H](Cc2ccccc2)C1=O ZINC000064787768 564096233 /nfs/dbraw/zinc/09/62/33/564096233.db2.gz NNISISYXRIYSMY-HNNXBMFYSA-N 0 0 330.225 4.142 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nonc1-c1cccs1 ZINC000006719947 564096320 /nfs/dbraw/zinc/09/63/20/564096320.db2.gz RUAFZJLMHIQCOU-UHFFFAOYSA-N 0 0 343.339 4.244 50 0 EIAARN CSCC[C@H]1COC(c2cccn2Cc2ccc(SC)cc2)=N1 ZINC000006729551 564096601 /nfs/dbraw/zinc/09/66/01/564096601.db2.gz WKAVELWPVPDXCH-HNNXBMFYSA-N 0 0 346.521 4.157 50 0 EIAARN CCC(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(C)cc1 ZINC000006740187 564096812 /nfs/dbraw/zinc/09/68/12/564096812.db2.gz LRPNWBVXEJPIOM-IBGZPJMESA-N 0 0 340.448 4.122 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)s1 ZINC000064844819 564096875 /nfs/dbraw/zinc/09/68/75/564096875.db2.gz LSVLLLBAGWTTAE-UHFFFAOYSA-N 0 0 325.393 4.236 50 0 EIAARN CCCn1c2ccccc2nc1SC[C@@H](O)c1ccc(OC)cc1 ZINC000006746153 564096923 /nfs/dbraw/zinc/09/69/23/564096923.db2.gz RGYQHIWRWNAUDH-GOSISDBHSA-N 0 0 342.464 4.281 50 0 EIAARN CCCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2ccccc2O3)c1 ZINC000006748535 564097046 /nfs/dbraw/zinc/09/70/46/564097046.db2.gz LMNYIXVSDAYUCC-UHFFFAOYSA-N 0 0 334.375 4.335 50 0 EIAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)CC(C)C)cc1 ZINC000064887907 564097384 /nfs/dbraw/zinc/09/73/84/564097384.db2.gz IEQFKBHTNVICLK-UHFFFAOYSA-N 0 0 335.451 4.174 50 0 EIAARN CCCCN(C)c1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1 ZINC000006768312 564097415 /nfs/dbraw/zinc/09/74/15/564097415.db2.gz VWUHDZGBDLOMNT-UHFFFAOYSA-N 0 0 333.461 4.035 50 0 EIAARN CCn1cc(CCCC(=O)NCc2ccc(F)cc2)c2ccccc21 ZINC000006782764 564097625 /nfs/dbraw/zinc/09/76/25/564097625.db2.gz GIHHEROZNUBKIP-UHFFFAOYSA-N 0 0 338.426 4.439 50 0 EIAARN CCCN(Cc1cccs1)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000006791147 564097960 /nfs/dbraw/zinc/09/79/60/564097960.db2.gz XONXXOIWDQFDBL-UHFFFAOYSA-N 0 0 334.441 4.209 50 0 EIAARN CCOc1ccccc1Nc1cc(Nc2ccc(OC)cc2)ncn1 ZINC000006794385 564098104 /nfs/dbraw/zinc/09/81/04/564098104.db2.gz NHCLRIYFVHNUCQ-UHFFFAOYSA-N 0 0 336.395 4.371 50 0 EIAARN CC[C@@H](C(=O)Nc1cccc(C)c1C)n1sc2ccccc2c1=O ZINC000006800062 564098198 /nfs/dbraw/zinc/09/81/98/564098198.db2.gz XPJXEVZGIOPLKZ-INIZCTEOSA-N 0 0 340.448 4.270 50 0 EIAARN Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc(Cl)c1C ZINC000006806377 564098319 /nfs/dbraw/zinc/09/83/19/564098319.db2.gz VCIGGZIQZARAQS-UHFFFAOYSA-N 0 0 331.828 4.456 50 0 EIAARN O=C(NCCc1ccsc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000006804845 564098352 /nfs/dbraw/zinc/09/83/52/564098352.db2.gz WVPBQKABOLHNOO-UHFFFAOYSA-N 0 0 341.457 4.342 50 0 EIAARN CCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2cc(F)ccc21 ZINC000064961037 564098587 /nfs/dbraw/zinc/09/85/87/564098587.db2.gz MNRQCZBFHLQMEP-UHFFFAOYSA-N 0 0 349.365 4.186 50 0 EIAARN Cc1cc2oc(C(=O)Nc3ccc(Cl)cc3)cc(=O)c2cc1C ZINC000006811376 564098600 /nfs/dbraw/zinc/09/86/00/564098600.db2.gz CSQSHBROHRDRNI-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN Cc1cc(C)c2oc(C(=O)Nc3ccccc3Cl)cc(=O)c2c1 ZINC000006811311 564098626 /nfs/dbraw/zinc/09/86/26/564098626.db2.gz XGXUKZNYJXYREK-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN COc1cccc(NC(=O)c2noc3c2CSc2ccccc2-3)c1 ZINC000006817361 564098694 /nfs/dbraw/zinc/09/86/94/564098694.db2.gz GTXUQGVUEMMFQX-UHFFFAOYSA-N 0 0 338.388 4.208 50 0 EIAARN CC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)cc2Br)c1C ZINC000006818815 564098758 /nfs/dbraw/zinc/09/87/58/564098758.db2.gz WLXZCQNWMJBQLB-UHFFFAOYSA-N 0 0 349.228 4.157 50 0 EIAARN CC1CCC(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)CC1 ZINC000006817690 564098778 /nfs/dbraw/zinc/09/87/78/564098778.db2.gz IOYZWWBWSBURQN-UHFFFAOYSA-N 0 0 341.480 4.001 50 0 EIAARN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000155881518 564098819 /nfs/dbraw/zinc/09/88/19/564098819.db2.gz AYEXYMFQEGNOHR-VXGBXAGGSA-N 0 0 340.370 4.151 50 0 EIAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 ZINC000006833688 564099217 /nfs/dbraw/zinc/09/92/17/564099217.db2.gz CFIGYKSADSQWAZ-GFCCVEGCSA-N 0 0 344.436 4.150 50 0 EIAARN CC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 ZINC000006836396 564099221 /nfs/dbraw/zinc/09/92/21/564099221.db2.gz FULHLIRZLOFGDO-LJQANCHMSA-N 0 0 340.448 4.040 50 0 EIAARN CCc1c(C)c(C(=O)NCC(C)C)n(Cc2cccc(C)c2)c1C ZINC000006833657 564099229 /nfs/dbraw/zinc/09/92/29/564099229.db2.gz YJAYBWDVMYSVGV-UHFFFAOYSA-N 0 0 326.484 4.410 50 0 EIAARN CCC(=O)Nc1nnc(SCc2ccccc2C(F)(F)F)s1 ZINC000006839259 564099317 /nfs/dbraw/zinc/09/93/17/564099317.db2.gz BZIMDSNNRVJLHY-UHFFFAOYSA-N 0 0 347.387 4.198 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc2c1SCCC2=O ZINC000006841635 564099394 /nfs/dbraw/zinc/09/93/94/564099394.db2.gz AWAYPWQXZZZDDJ-CQSZACIVSA-N 0 0 339.460 4.116 50 0 EIAARN CC[C@H]1CN(C(=O)Nc2cc(F)ccc2F)c2cc(C)ccc2O1 ZINC000006843424 564099509 /nfs/dbraw/zinc/09/95/09/564099509.db2.gz AAIRGPXKHHMIHQ-ZDUSSCGKSA-N 0 0 332.350 4.483 50 0 EIAARN CN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006871449 564100206 /nfs/dbraw/zinc/10/02/06/564100206.db2.gz OEPHPGVCRCNTIT-UHFFFAOYSA-N 0 0 332.382 4.293 50 0 EIAARN COc1ccc(NC(=O)N2C[C@H](C)Sc3ccccc32)cc1OC ZINC000006876902 564100300 /nfs/dbraw/zinc/10/03/00/564100300.db2.gz IUIDUXQMIOJIDE-LBPRGKRZSA-N 0 0 344.436 4.237 50 0 EIAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc2c(c1)CCC2 ZINC000006879081 564100424 /nfs/dbraw/zinc/10/04/24/564100424.db2.gz BQSIICOQEZMSAX-UHFFFAOYSA-N 0 0 336.416 4.200 50 0 EIAARN COc1ccc([C@H](NC(=O)c2cc(C)oc2C)c2ccccc2)cc1 ZINC000006881884 564100638 /nfs/dbraw/zinc/10/06/38/564100638.db2.gz CYVIKFLSYJLHJL-HXUWFJFHSA-N 0 0 335.403 4.424 50 0 EIAARN CN(C(=O)Nc1noc2c1COc1ccccc1-2)C1CCCCC1 ZINC000006892868 564100915 /nfs/dbraw/zinc/10/09/15/564100915.db2.gz NZILRRFAHXBBKQ-UHFFFAOYSA-N 0 0 327.384 4.030 50 0 EIAARN COc1ccc2oc(-c3noc(COc4ccccc4)n3)c(C)c2c1 ZINC000065097320 564101061 /nfs/dbraw/zinc/10/10/61/564101061.db2.gz JTTHNRCOTMTWKD-UHFFFAOYSA-N 0 0 336.347 4.379 50 0 EIAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NC3CC3)cc12 ZINC000006913427 564101252 /nfs/dbraw/zinc/10/12/52/564101252.db2.gz XMVSBTPWFOZHRB-UHFFFAOYSA-N 0 0 336.410 4.338 50 0 EIAARN Cn1nccc1-c1cccc(-c2noc(-c3ccc(F)c(F)c3)n2)c1 ZINC000065137212 564101500 /nfs/dbraw/zinc/10/15/00/564101500.db2.gz BBWOQMRIBFDPLE-UHFFFAOYSA-N 0 0 338.317 4.082 50 0 EIAARN Cn1nccc1-c1cccc(-c2noc(/C=C/c3cccs3)n2)c1 ZINC000065137284 564101549 /nfs/dbraw/zinc/10/15/49/564101549.db2.gz FHSOHXNVAMTWLA-BQYQJAHWSA-N 0 0 334.404 4.369 50 0 EIAARN CSc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000006938260 564101862 /nfs/dbraw/zinc/10/18/62/564101862.db2.gz WIJDXKLSJGKAPT-UHFFFAOYSA-N 0 0 347.749 4.123 50 0 EIAARN O=C1Nc2ccccc2S[C@@H]1Nc1cc(Cl)cc(Cl)c1 ZINC000006938222 564101881 /nfs/dbraw/zinc/10/18/81/564101881.db2.gz CLKALEIZDZQGIV-AWEZNQCLSA-N 0 0 325.220 4.476 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942246 564101958 /nfs/dbraw/zinc/10/19/58/564101958.db2.gz DFFMVFGKOWTWQJ-UHFFFAOYSA-N 0 0 325.799 4.002 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1cc(-c2ccsc2)no1 ZINC000065153191 564102023 /nfs/dbraw/zinc/10/20/23/564102023.db2.gz ATCQGTBVPZZDQT-UHFFFAOYSA-N 0 0 336.775 4.377 50 0 EIAARN CCn1cc(-c2ccc(C)cc2)cc1C(=O)N[C@@H](C)c1cccnc1 ZINC000065170583 564102192 /nfs/dbraw/zinc/10/21/92/564102192.db2.gz TXGSTQRSCNVOPP-INIZCTEOSA-N 0 0 333.435 4.369 50 0 EIAARN CCCn1cc(CCNC(=O)c2ccc(Cl)s2)c2cccnc21 ZINC000065163888 564102234 /nfs/dbraw/zinc/10/22/34/564102234.db2.gz WHOXQCFVFSITOF-UHFFFAOYSA-N 0 0 347.871 4.134 50 0 EIAARN O=C(/C=C/c1ccco1)N1CCC(CCOc2ccccc2)CC1 ZINC000065180566 564102375 /nfs/dbraw/zinc/10/23/75/564102375.db2.gz HBELNKRDPZTYKY-CMDGGOBGSA-N 0 0 325.408 4.001 50 0 EIAARN Clc1cccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)c1 ZINC000065185344 564102510 /nfs/dbraw/zinc/10/25/10/564102510.db2.gz IDYWSTMOYRIBJH-UHFFFAOYSA-N 0 0 338.754 4.031 50 0 EIAARN CCCCN(CCCC)c1c(=O)c(=O)c1-c1cc(C)c(C)cc1C ZINC000006996700 564102748 /nfs/dbraw/zinc/10/27/48/564102748.db2.gz DNFPZEILTXLMQF-UHFFFAOYSA-N 0 0 327.468 4.281 50 0 EIAARN CC(C)Cn1cc(NC(=O)NC2CCCCC2)c2ccccc2c1=O ZINC000007000628 564102787 /nfs/dbraw/zinc/10/27/87/564102787.db2.gz OYQDDACYIULDED-UHFFFAOYSA-N 0 0 341.455 4.112 50 0 EIAARN Cc1ccsc1-c1nnc(CC(=O)Nc2ccc(Cl)cc2C)o1 ZINC000065214418 564102856 /nfs/dbraw/zinc/10/28/56/564102856.db2.gz SZOHFWUTNSDYEE-UHFFFAOYSA-N 0 0 347.827 4.250 50 0 EIAARN O=C(COC(=O)CC1CCCCC1)Nc1cc(Cl)ccc1Cl ZINC000007007698 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DBTRXTHTBKIAQQ-YJBOKZPZSA-N 0 0 341.455 4.252 50 0 EIAARN Cc1ccc([C@@H]2CCCCN2C(=O)c2cnc3ccccc3n2)cc1 ZINC000076021907 564114579 /nfs/dbraw/zinc/11/45/79/564114579.db2.gz BXJMBZHVXGXOHP-FQEVSTJZSA-N 0 0 331.419 4.306 50 0 EIAARN CSc1cccc(NC(=O)c2ccc(-c3nnc(C)o3)cc2)c1 ZINC000076059473 564115132 /nfs/dbraw/zinc/11/51/32/564115132.db2.gz ZSLKFMYYBQMBQM-UHFFFAOYSA-N 0 0 325.393 4.019 50 0 EIAARN COc1ccc(C(=O)O[C@H](C)c2nccs2)cc1-c1ccccn1 ZINC000089913774 564115236 /nfs/dbraw/zinc/11/52/36/564115236.db2.gz STBWVCGABSTCQZ-GFCCVEGCSA-N 0 0 340.404 4.132 50 0 EIAARN C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cccc(Br)c1 ZINC000076068618 564115328 /nfs/dbraw/zinc/11/53/28/564115328.db2.gz NKNXCEKASUYWFY-NWDGAFQWSA-N 0 0 325.250 4.492 50 0 EIAARN Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 ZINC000014709765 564115805 /nfs/dbraw/zinc/11/58/05/564115805.db2.gz KZQOZEJXZGVBFF-UHFFFAOYSA-N 0 0 349.409 4.451 50 0 EIAARN CCOc1cc2c(c(CNc3ccccc3N(C)C)c1)O[C@H](C)C2 ZINC000089991021 564116100 /nfs/dbraw/zinc/11/61/00/564116100.db2.gz VLMRDLLOQMJDBW-CQSZACIVSA-N 0 0 326.440 4.087 50 0 EIAARN C[C@H](c1ccccc1)N(C)C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000193023962 564116204 /nfs/dbraw/zinc/11/62/04/564116204.db2.gz UGZXSPXGIHQQDH-MRXNPFEDSA-N 0 0 341.426 4.094 50 0 EIAARN COc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000017120469 564116506 /nfs/dbraw/zinc/11/65/06/564116506.db2.gz XYCNWGPEJNHDJH-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN CC[C@@H](COC(=O)Nc1cccc(C)c1C)NC(=O)OCC(C)C ZINC000002872908 564117071 /nfs/dbraw/zinc/11/70/71/564117071.db2.gz FZOQNKPLWGEAQZ-HNNXBMFYSA-N 0 0 336.432 4.013 50 0 EIAARN O=C(Nc1cccc(-c2noc(-c3ccco3)n2)c1)c1cccs1 ZINC000006697592 564117421 /nfs/dbraw/zinc/11/74/21/564117421.db2.gz ULKGFTYGYOUXEJ-UHFFFAOYSA-N 0 0 337.360 4.310 50 0 EIAARN Cc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000006698063 564117427 /nfs/dbraw/zinc/11/74/27/564117427.db2.gz RQPGWGQBFZATAX-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN CC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccc2c(c1)OCO2 ZINC000002095821 564117582 /nfs/dbraw/zinc/11/75/82/564117582.db2.gz CMXBSXMYHNZPFE-QGZVFWFLSA-N 0 0 343.423 4.187 50 0 biogenic EIAARN Cc1cc(-c2csc(CCN3CCOC3=O)n2)c(C)c(C)c1C ZINC000170641267 564117959 /nfs/dbraw/zinc/11/79/59/564117959.db2.gz UMQZXNJRLNPWTC-UHFFFAOYSA-N 0 0 330.453 4.038 50 0 EIAARN C[C@H]1Cc2ccccc2N1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000007587427 564117989 /nfs/dbraw/zinc/11/79/89/564117989.db2.gz DSMZODIEIRITGF-LBPRGKRZSA-N 0 0 325.799 4.341 50 0 EIAARN Cc1nc([C@@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 ZINC000252484032 564119255 /nfs/dbraw/zinc/11/92/55/564119255.db2.gz FMMFXSOZIOFIBL-YMTOWFKASA-N 0 0 325.334 4.199 50 0 EIAARN COc1ccc([C@H](CCNC(=O)[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000002148429 564119509 /nfs/dbraw/zinc/11/95/09/564119509.db2.gz BNSRXZJARXDPQG-IEBWSBKVSA-N 0 0 347.499 4.146 50 0 biogenic EIAARN CCc1cc(=O)oc2c1ccc1c2CN(c2cccc(C)c2C)CO1 ZINC000002159352 564119570 /nfs/dbraw/zinc/11/95/70/564119570.db2.gz WFHSONCEWAJYNE-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN COC1(CC(=O)Nc2cccc(Cl)c2Oc2cccnc2)CCC1 ZINC000252497389 564119695 /nfs/dbraw/zinc/11/96/95/564119695.db2.gz QFLFRGVFHAACBI-UHFFFAOYSA-N 0 0 346.814 4.425 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000252500881 564119891 /nfs/dbraw/zinc/11/98/91/564119891.db2.gz TXQPKWSJHKFMEL-UHFFFAOYSA-N 0 0 347.777 4.398 50 0 EIAARN CSc1cccc(C(=O)NCc2ccnc(-c3cccs3)c2)c1 ZINC000252522993 564120435 /nfs/dbraw/zinc/12/04/35/564120435.db2.gz BPKUOBLMCGYCRL-UHFFFAOYSA-N 0 0 340.473 4.462 50 0 EIAARN Cc1ccc(CN(C)C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)o1 ZINC000194234639 564120451 /nfs/dbraw/zinc/12/04/51/564120451.db2.gz OAYZGIHXWYHRCB-LBPRGKRZSA-N 0 0 335.473 4.245 50 0 EIAARN O=C(COC(=O)c1cccc2ccccc21)c1cc(F)ccc1F ZINC000007604052 564120887 /nfs/dbraw/zinc/12/08/87/564120887.db2.gz BCWDWPDBHPNPAE-UHFFFAOYSA-N 0 0 326.298 4.158 50 0 EIAARN CC(C)Cc1nc2oc3c(ncnc3N3CCCC3)c2c2c1CCC2 ZINC000002203500 564121014 /nfs/dbraw/zinc/12/10/14/564121014.db2.gz WSTOZTPXCONPFV-UHFFFAOYSA-N 0 0 336.439 4.058 50 0 EIAARN C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCC2(CCC2)C1 ZINC000170662344 564121268 /nfs/dbraw/zinc/12/12/68/564121268.db2.gz AYFHIRMGDJTOKD-LLVKDONJSA-N 0 0 327.255 4.196 50 0 EIAARN CCC[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000007640424 564121405 /nfs/dbraw/zinc/12/14/05/564121405.db2.gz UFBIUDKWNCARLZ-IBGZPJMESA-N 0 0 336.435 4.336 50 0 EIAARN COc1ccc(-c2cc(NC(=O)c3ccccn3)ccc2OC)cc1 ZINC000007638835 564121406 /nfs/dbraw/zinc/12/14/06/564121406.db2.gz WJKHGCQQSPWCSN-UHFFFAOYSA-N 0 0 334.375 4.018 50 0 EIAARN Cc1cccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000007642058 564121478 /nfs/dbraw/zinc/12/14/78/564121478.db2.gz QRCQOAXYJDKUNP-UHFFFAOYSA-N 0 0 342.395 4.275 50 0 EIAARN c1csc(-c2cc(CSc3nnc4n3CCCCC4)no2)c1 ZINC000007642012 564121487 /nfs/dbraw/zinc/12/14/87/564121487.db2.gz PZSVPTUHSMJZCR-UHFFFAOYSA-N 0 0 332.454 4.013 50 0 EIAARN Cc1ccc2nc(SCC(=O)N3CCCc4ccccc43)oc2c1 ZINC000007660739 564121638 /nfs/dbraw/zinc/12/16/38/564121638.db2.gz WSODVTOXGNTTOY-UHFFFAOYSA-N 0 0 338.432 4.208 50 0 EIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccs1 ZINC000007661587 564121738 /nfs/dbraw/zinc/12/17/38/564121738.db2.gz XEJDEOOBDFEXDK-UHFFFAOYSA-N 0 0 342.386 4.228 50 0 EIAARN Cc1cnc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)s1 ZINC000194733852 564122065 /nfs/dbraw/zinc/12/20/65/564122065.db2.gz HXYOCINVDOGESL-HSZRJFAPSA-N 0 0 342.489 4.371 50 0 EIAARN Cc1ccc(SCC(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000007734838 564122394 /nfs/dbraw/zinc/12/23/94/564122394.db2.gz VFHIRUOBTTUZAB-UHFFFAOYSA-N 0 0 339.460 4.405 50 0 EIAARN CC(=O)NCCc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 ZINC000007736082 564122453 /nfs/dbraw/zinc/12/24/53/564122453.db2.gz YUSPSTFDIYTYFP-UHFFFAOYSA-N 0 0 340.423 4.295 50 0 EIAARN CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)C1=CCCC1 ZINC000007736909 564122507 /nfs/dbraw/zinc/12/25/07/564122507.db2.gz GTFOXBKHBBPHKY-UHFFFAOYSA-N 0 0 349.430 4.213 50 0 EIAARN CCOc1cc(C(=O)NCc2ccccc2Cl)cc(Cl)c1O ZINC000007779027 564123056 /nfs/dbraw/zinc/12/30/56/564123056.db2.gz RUPZSIALRHCWNF-UHFFFAOYSA-N 0 0 340.206 4.028 50 0 EIAARN c1[nH]c2ccccc2c1-c1nnc(SC[C@@H]2CCCO2)n1C1CC1 ZINC000007791045 564123408 /nfs/dbraw/zinc/12/34/08/564123408.db2.gz OMKWIUQPDMTDAF-ZDUSSCGKSA-N 0 0 340.452 4.032 50 0 EIAARN C[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000195564825 564123869 /nfs/dbraw/zinc/12/38/69/564123869.db2.gz GDMSEECWCKZBHA-ZTFGCOKTSA-N 0 0 344.480 4.071 50 0 EIAARN C[C@H]1c2ccsc2CCN1C(=O)COc1ccc2ccccc2c1 ZINC000007829619 564124100 /nfs/dbraw/zinc/12/41/00/564124100.db2.gz HVOIAYNGDWSSBF-AWEZNQCLSA-N 0 0 337.444 4.426 50 0 EIAARN O=c1oc2cc(Cl)ccc2n1Cc1csc(-c2ccsc2)n1 ZINC000007867148 564124282 /nfs/dbraw/zinc/12/42/82/564124282.db2.gz LVRBFAJONDYREC-UHFFFAOYSA-N 0 0 348.836 4.481 50 0 EIAARN CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(Cl)cc1 ZINC000000214036 564125149 /nfs/dbraw/zinc/12/51/49/564125149.db2.gz UILBYTAQZXYOPD-UHFFFAOYSA-N 0 0 341.823 4.242 50 0 EIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000015894334 564128991 /nfs/dbraw/zinc/12/89/91/564128991.db2.gz ICMWWNHDUZJFDW-NDPXPEHJSA-N 0 0 332.484 4.401 50 0 in-vitro EIAARN C[C@]12CC=C3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000022001460 564129124 /nfs/dbraw/zinc/12/91/24/564129124.db2.gz MCNZISFQKMPWRJ-XXBFSGCESA-N 0 0 338.447 4.290 50 0 in-vitro EIAARN O=C1NCCSc2c3cc(OCc4ccccc4)ccc3sc21 ZINC000095642814 564129487 /nfs/dbraw/zinc/12/94/87/564129487.db2.gz IICIULLWQJHFOV-UHFFFAOYSA-N 0 0 341.457 4.316 50 0 EIAARN O=C(COc1ccccc1)OCCn1c2ccccc2c2ccccc21 ZINC000002283304 564130263 /nfs/dbraw/zinc/13/02/63/564130263.db2.gz XCNAONDMGXEDQY-UHFFFAOYSA-N 0 0 345.398 4.417 50 0 EIAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)c1ccc2[nH]ccc2c1 ZINC000253410452 564130681 /nfs/dbraw/zinc/13/06/81/564130681.db2.gz NJCTWJBEBOUAMW-LJQANCHMSA-N 0 0 329.403 4.457 50 0 EIAARN C[C@@H](NC(=O)CN1CC(C)(C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000253419779 564130991 /nfs/dbraw/zinc/13/09/91/564130991.db2.gz IGUHDHLVAMVZBW-ACJLOTCBSA-N 0 0 346.471 4.148 50 0 EIAARN Cc1cc(N[C@@H](c2ccccc2)[C@H]2CCOC2)nc(-c2cccnc2)n1 ZINC000253422840 564131064 /nfs/dbraw/zinc/13/10/64/564131064.db2.gz CAVSGXSDOGTEOR-ICSRJNTNSA-N 0 0 346.434 4.037 50 0 EIAARN Cc1cc(Br)c2ccccc2c1NC(=O)C1CCOCC1 ZINC000253428798 564131318 /nfs/dbraw/zinc/13/13/18/564131318.db2.gz FCEPXONDMPRFCC-UHFFFAOYSA-N 0 0 348.240 4.276 50 0 EIAARN Fc1cccc(OCc2nc([C@H]3CCOC3)n(C3CCCCC3)n2)c1 ZINC000584885872 564131503 /nfs/dbraw/zinc/13/15/03/564131503.db2.gz PUYGMUXRWOQYIE-AWEZNQCLSA-N 0 0 345.418 4.005 50 0 EIAARN CC[C@@H](NC(=O)NC1(CO)CCCCCC1)c1ccc(C)c(C)c1 ZINC000584885430 564131507 /nfs/dbraw/zinc/13/15/07/564131507.db2.gz BUVSOPPFMDPVAK-GOSISDBHSA-N 0 0 332.488 4.139 50 0 EIAARN CC(C)c1cc(CNC(=O)N2CCCC[C@@H]2c2cccc(F)c2)no1 ZINC000584891395 564131567 /nfs/dbraw/zinc/13/15/67/564131567.db2.gz YCNQDQDJDPWFIO-QGZVFWFLSA-N 0 0 345.418 4.374 50 0 EIAARN COc1cc(C)c(-c2ccc(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)cc2)cn1 ZINC000584892764 564131571 /nfs/dbraw/zinc/13/15/71/564131571.db2.gz DOGBXVVTEXTLEN-KDURUIRLSA-N 0 0 348.446 4.104 50 0 EIAARN COc1ccc(-c2nocc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000253470583 564132623 /nfs/dbraw/zinc/13/26/23/564132623.db2.gz LFUNITCJJRHWGR-UHFFFAOYSA-N 0 0 341.363 4.043 50 0 EIAARN CO[C@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000253473167 564132677 /nfs/dbraw/zinc/13/26/77/564132677.db2.gz RXLVVDOBXORMNE-CYBMUJFWSA-N 0 0 335.812 4.265 50 0 EIAARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)CNc2ccc(C)cc2C)C1 ZINC000013144926 564133919 /nfs/dbraw/zinc/13/39/19/564133919.db2.gz QVVXTDDLTKDPGI-KRWDZBQOSA-N 0 0 325.456 4.120 50 0 EIAARN Cc1ccc(CN(Cc2nnc([C@H]3CCCOC3)o2)C(C)(C)C)cc1 ZINC000585123492 564134000 /nfs/dbraw/zinc/13/40/00/564134000.db2.gz RHXOWVQIUAMIRX-KRWDZBQOSA-N 0 0 343.471 4.073 50 0 EIAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(C)C3=O ZINC000002380369 564134147 /nfs/dbraw/zinc/13/41/47/564134147.db2.gz LTJZLLJGCORYNJ-IBGZPJMESA-N 0 0 347.414 4.400 50 0 EIAARN Cc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000002398983 564134527 /nfs/dbraw/zinc/13/45/27/564134527.db2.gz YGCKLBQDGJGOFI-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccccc2F)CO1 ZINC000002398651 564134531 /nfs/dbraw/zinc/13/45/31/564134531.db2.gz AXEWENSALYFALX-UHFFFAOYSA-N 0 0 339.366 4.241 50 0 EIAARN CCOc1ccc(CNc2ccc3cc[nH]c(=O)c3c2)cc1OCC ZINC000424213038 564134829 /nfs/dbraw/zinc/13/48/29/564134829.db2.gz SWCLENPANRNIKG-UHFFFAOYSA-N 0 0 338.407 4.350 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 ZINC000002430825 564135068 /nfs/dbraw/zinc/13/50/68/564135068.db2.gz CNCGWUYBGRICLE-UHFFFAOYSA-N 0 0 337.448 4.074 50 0 EIAARN Cc1ccccc1[C@H]1CC(=O)c2cn3c4ccccc4nc3nc2C1 ZINC000002438709 564135164 /nfs/dbraw/zinc/13/51/64/564135164.db2.gz IPOLXRBNKKFARD-CQSZACIVSA-N 0 0 327.387 4.104 50 0 EIAARN Cc1cc(C)cc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1 ZINC000002447304 564135286 /nfs/dbraw/zinc/13/52/86/564135286.db2.gz FECLHZKINHTFKQ-UHFFFAOYSA-N 0 0 335.403 4.383 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccc(F)c2)cc1 ZINC000012761091 564135518 /nfs/dbraw/zinc/13/55/18/564135518.db2.gz NKEXOWIUVSHQKJ-LKQLOZHYSA-N 0 0 325.383 4.211 50 0 EIAARN O=C(c1cc(-c2csc(-c3cccc(F)c3)n2)c[nH]1)N1CCCC1 ZINC000012873282 564135679 /nfs/dbraw/zinc/13/56/79/564135679.db2.gz BBPMVQUFQUCAAI-UHFFFAOYSA-N 0 0 341.411 4.180 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1cccc(C)c1 ZINC000002451564 564135750 /nfs/dbraw/zinc/13/57/50/564135750.db2.gz QWMYEBVAJFBPQE-UHFFFAOYSA-N 0 0 341.455 4.453 50 0 EIAARN Cc1ccc(NC(=O)Oc2ccc3ccc(=O)oc3c2)cc1Cl ZINC000013149308 564136095 /nfs/dbraw/zinc/13/60/95/564136095.db2.gz GMMGSHNFSUDOCY-UHFFFAOYSA-N 0 0 329.739 4.366 50 0 EIAARN O=C(Cc1cccc2ccccc21)NOCc1cccc2cccnc21 ZINC000078724490 564136956 /nfs/dbraw/zinc/13/69/56/564136956.db2.gz LKFGLYQPUORYKX-UHFFFAOYSA-N 0 0 342.398 4.179 50 0 EIAARN CC(C)COc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cn1 ZINC000079049876 564137742 /nfs/dbraw/zinc/13/77/42/564137742.db2.gz KJGTXWIWHNUKGJ-QFBILLFUSA-N 0 0 338.451 4.135 50 0 EIAARN Cn1cc(Cl)cc1CNC(=O)c1cccnc1SC1CCCC1 ZINC000079097663 564137873 /nfs/dbraw/zinc/13/78/73/564137873.db2.gz VORWYQFHIDMGLP-UHFFFAOYSA-N 0 0 349.887 4.038 50 0 EIAARN CC1CCC(N(C)C(=O)NCc2ncc(-c3ccccc3)o2)CC1 ZINC000079517762 564138244 /nfs/dbraw/zinc/13/82/44/564138244.db2.gz BTBBRQQLBRTPAZ-UHFFFAOYSA-N 0 0 327.428 4.062 50 0 EIAARN Cn1cccc1[C@@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000079666225 564138283 /nfs/dbraw/zinc/13/82/83/564138283.db2.gz AKJWBZDNCRTBFR-IBGZPJMESA-N 0 0 349.434 4.332 50 0 EIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)NCc1ccc(F)cc1 ZINC000390829708 564138622 /nfs/dbraw/zinc/13/86/22/564138622.db2.gz GAKUXHKTIJQBQW-ZDUSSCGKSA-N 0 0 326.371 4.002 50 0 EIAARN O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2ccoc2)cc1 ZINC000390829713 564138624 /nfs/dbraw/zinc/13/86/24/564138624.db2.gz GAXSPQKVBRHVFV-UHFFFAOYSA-N 0 0 341.794 4.295 50 0 EIAARN Cc1cc(CCC(=O)NCc2ccc(-c3ccoc3)nc2)ccc1F ZINC000390831448 564138683 /nfs/dbraw/zinc/13/86/83/564138683.db2.gz RWSMMKVSFJDVAH-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN O=C(c1cccc(-c2noc(C3CC3)n2)c1)N(C1CC1)C1CCCC1 ZINC000080025453 564139076 /nfs/dbraw/zinc/13/90/76/564139076.db2.gz RYTDRINFXLPSIM-UHFFFAOYSA-N 0 0 337.423 4.161 50 0 EIAARN C[C@@H]1CCCCN1c1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329622 564139180 /nfs/dbraw/zinc/13/91/80/564139180.db2.gz SAMSNURCIVLGTP-LLVKDONJSA-N 0 0 328.803 4.317 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1F ZINC000007966009 564141946 /nfs/dbraw/zinc/14/19/46/564141946.db2.gz NYFSZOGFMWYKHW-NSHDSACASA-N 0 0 336.204 4.388 50 0 EIAARN O=C(Cc1coc2ccc3ccccc3c12)N1CCC[C@@H]1c1ncc[nH]1 ZINC000095458549 564140662 /nfs/dbraw/zinc/14/06/62/564140662.db2.gz NMWOYBAUVFBSOD-QGZVFWFLSA-N 0 0 345.402 4.215 50 0 EIAARN COc1ccc(CC(=O)Nc2ncccc2-c2ccccc2)cc1F ZINC000095458288 564140673 /nfs/dbraw/zinc/14/06/73/564140673.db2.gz MWKPVHGFBKKOFQ-UHFFFAOYSA-N 0 0 336.366 4.078 50 0 EIAARN Cc1nnc(CSCc2csc(-c3ccccc3)n2)n1C1CC1 ZINC000095459951 564140729 /nfs/dbraw/zinc/14/07/29/564140729.db2.gz HFMHPCIYANZSAD-UHFFFAOYSA-N 0 0 342.493 4.478 50 0 EIAARN CC(C)CCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000095472279 564141285 /nfs/dbraw/zinc/14/12/85/564141285.db2.gz AZJIHPDEPLEHFN-QGZVFWFLSA-N 0 0 332.875 4.478 50 0 EIAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cccnc1 ZINC000095478973 564141544 /nfs/dbraw/zinc/14/15/44/564141544.db2.gz KSISACDMIAGVRF-INIZCTEOSA-N 0 0 339.826 4.349 50 0 EIAARN Cc1nc(C(=O)Nc2ccncc2)c(-c2ccccc2Cl)s1 ZINC000095480266 564141548 /nfs/dbraw/zinc/14/15/48/564141548.db2.gz BVIUIILNIGMLMU-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CC(C)n1ncc2c1NC(=O)CS[C@H]2c1ccc(F)c(F)c1F ZINC000095479747 564141575 /nfs/dbraw/zinc/14/15/75/564141575.db2.gz KGORDTKVDUTWRO-AWEZNQCLSA-N 0 0 341.358 4.306 50 0 EIAARN Cc1ccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)cc1F ZINC000020597619 564141729 /nfs/dbraw/zinc/14/17/29/564141729.db2.gz YVBWLJCCMCMPOJ-OAHLLOKOSA-N 0 0 325.387 4.155 50 0 EIAARN CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2-c2cn[nH]c2)C1 ZINC000095945358 564142162 /nfs/dbraw/zinc/14/21/62/564142162.db2.gz KUWRCJSXWBWPDI-LSDHHAIUSA-N 0 0 344.484 4.263 50 0 EIAARN Cc1noc(C)c1CNC(=O)N(C)C1CCC(c2ccccc2)CC1 ZINC000095955255 564142519 /nfs/dbraw/zinc/14/25/19/564142519.db2.gz HIMTXNXBRMPPMY-UHFFFAOYSA-N 0 0 341.455 4.159 50 0 EIAARN C[C@H](Nc1ccc(C(=O)N2CCc3ccccc32)cn1)c1ccccc1 ZINC000095958742 564142624 /nfs/dbraw/zinc/14/26/24/564142624.db2.gz WJIVCNBAQMYMCP-INIZCTEOSA-N 0 0 343.430 4.458 50 0 EIAARN c1cc2c(o1)CCC[C@H]2NCc1csc(COc2ccccc2)n1 ZINC000095959233 564142679 /nfs/dbraw/zinc/14/26/79/564142679.db2.gz CBSZGCJLTNSUFT-QGZVFWFLSA-N 0 0 340.448 4.482 50 0 EIAARN Cc1ccc(C(=O)[C@H](C)Sc2ccccc2S(C)(=O)=O)cc1C ZINC000095960216 564142717 /nfs/dbraw/zinc/14/27/17/564142717.db2.gz PDIJEORPMWZKPD-AWEZNQCLSA-N 0 0 348.489 4.070 50 0 EIAARN CCc1cnc([C@@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000095968987 564143295 /nfs/dbraw/zinc/14/32/95/564143295.db2.gz JFAQBXBPEXRCND-QWHCGFSZSA-N 0 0 345.468 4.074 50 0 EIAARN O=C(Nc1cccc2ccc(O)cc21)c1cc(-c2ccccc2)no1 ZINC000095972467 564143450 /nfs/dbraw/zinc/14/34/50/564143450.db2.gz DECONUAOSWWTNW-UHFFFAOYSA-N 0 0 330.343 4.453 50 0 EIAARN c1csc(-c2nnc(SCOc3ccccc3)n2C2CC2)c1 ZINC000095984526 564143860 /nfs/dbraw/zinc/14/38/60/564143860.db2.gz AGPRADQZADJDIC-UHFFFAOYSA-N 0 0 329.450 4.470 50 0 EIAARN Cc1ocnc1CNC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 ZINC000095984796 564143904 /nfs/dbraw/zinc/14/39/04/564143904.db2.gz HRGFGSDQVHDFIN-UHFFFAOYSA-N 0 0 340.383 4.083 50 0 EIAARN CC(C)(C(=O)NCC1(c2ccncc2)CCCCC1)c1cccs1 ZINC000096011852 564144705 /nfs/dbraw/zinc/14/47/05/564144705.db2.gz YJOJUGNDXBTWOA-UHFFFAOYSA-N 0 0 342.508 4.439 50 0 EIAARN Cc1ccc2cccc(C(=O)N3CCC[C@@H](O)c4ccccc43)c2n1 ZINC000096012150 564144743 /nfs/dbraw/zinc/14/47/43/564144743.db2.gz PODHTISOUURFOA-LJQANCHMSA-N 0 0 332.403 4.017 50 0 EIAARN O=c1nc(-c2cccc(Cl)c2)c2cc(Br)ccc2[nH]1 ZINC000096012493 564144753 /nfs/dbraw/zinc/14/47/53/564144753.db2.gz OUIRCAJSHZBNFU-UHFFFAOYSA-N 0 0 335.588 4.006 50 0 EIAARN Cc1cccc(NC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)c1 ZINC000096024945 564144885 /nfs/dbraw/zinc/14/48/85/564144885.db2.gz MKJPDXSAGSRBEZ-UHFFFAOYSA-N 0 0 345.830 4.119 50 0 EIAARN COCc1cccc(CNC(=O)/C=C(\C)c2cccc(Cl)c2)c1 ZINC000096055593 564145133 /nfs/dbraw/zinc/14/51/33/564145133.db2.gz XNWBEWIHVCDVHL-NTEUORMPSA-N 0 0 329.827 4.206 50 0 EIAARN O=C(NCC[C@H](O)c1cc2ccccc2o1)c1ccc(Cl)s1 ZINC000096097216 564145195 /nfs/dbraw/zinc/14/51/95/564145195.db2.gz NKZVMTQRMMEXMD-NSHDSACASA-N 0 0 335.812 4.001 50 0 EIAARN COC1CCN(c2ccc(NC(=O)Nc3cccs3)cc2)CC1 ZINC000096104515 564145315 /nfs/dbraw/zinc/14/53/15/564145315.db2.gz HAPIQWAEPSZYEJ-UHFFFAOYSA-N 0 0 331.441 4.007 50 0 EIAARN CO[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C)s1 ZINC000096104715 564145330 /nfs/dbraw/zinc/14/53/30/564145330.db2.gz OFWPXGPUJASUQT-ZDUSSCGKSA-N 0 0 344.263 4.481 50 0 EIAARN Cc1ccc(-c2nc(C(=O)NCc3ccc(C(C)C)cc3)no2)cc1 ZINC000096105459 564145366 /nfs/dbraw/zinc/14/53/66/564145366.db2.gz OFSNDQCHGSVXTC-UHFFFAOYSA-N 0 0 335.407 4.098 50 0 EIAARN Cc1cc(C(=O)NCc2ccc(C(=O)c3ccccc3)s2)c(C)o1 ZINC000096119858 564145519 /nfs/dbraw/zinc/14/55/19/564145519.db2.gz HSKUFWVKAZISAR-UHFFFAOYSA-N 0 0 339.416 4.119 50 0 EIAARN Cc1csc(C(=O)NCc2ccc(C(=O)c3ccccc3)s2)c1 ZINC000096119859 564145529 /nfs/dbraw/zinc/14/55/29/564145529.db2.gz IZLMGYGPBHXXSU-UHFFFAOYSA-N 0 0 341.457 4.279 50 0 EIAARN CO[C@H]1CCCN(c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)C1 ZINC000096122508 564145627 /nfs/dbraw/zinc/14/56/27/564145627.db2.gz JVFYOYLNWVQYGX-IBGZPJMESA-N 0 0 339.439 4.254 50 0 EIAARN CC[C@](CNC(=O)Cc1cccc2ccccc21)(OC)c1ccccc1 ZINC000096123719 564145680 /nfs/dbraw/zinc/14/56/80/564145680.db2.gz PWJBMCWAJZLKIQ-HSZRJFAPSA-N 0 0 347.458 4.450 50 0 EIAARN CC[C@@](CNC(=O)Nc1ccccc1Cl)(OC)c1ccccc1 ZINC000096123824 564145685 /nfs/dbraw/zinc/14/56/85/564145685.db2.gz NBDSWRGQKSKUIP-SFHVURJKSA-N 0 0 332.831 4.413 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C/C=C\Cl)CC2 ZINC000096129571 564145749 /nfs/dbraw/zinc/14/57/49/564145749.db2.gz WQYVZGUFTQCEPQ-GINYUPMKSA-N 0 0 349.883 4.465 50 0 EIAARN CC1(C)C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CO1 ZINC000333142757 564145807 /nfs/dbraw/zinc/14/58/07/564145807.db2.gz DFUFBINFLWWPJR-QGZVFWFLSA-N 0 0 331.460 4.074 50 0 EIAARN COc1cccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)c1 ZINC000096137065 564145818 /nfs/dbraw/zinc/14/58/18/564145818.db2.gz PQOKLSZEPMVKNS-CMDGGOBGSA-N 0 0 331.437 4.033 50 0 EIAARN COc1ccccc1/C(C)=C\C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000096257466 564146176 /nfs/dbraw/zinc/14/61/76/564146176.db2.gz XKVOIKNKSYYTLS-QBFSEMIESA-N 0 0 327.428 4.131 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276196 564146235 /nfs/dbraw/zinc/14/62/35/564146235.db2.gz ABNATTHUQDBFNX-QMTHXVAHSA-N 0 0 333.819 4.003 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)C1CC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276011 564146242 /nfs/dbraw/zinc/14/62/42/564146242.db2.gz YXYSWJAZRSYNEZ-YGRLFVJLSA-N 0 0 333.819 4.003 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)C1CC1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096293609 564146489 /nfs/dbraw/zinc/14/64/89/564146489.db2.gz TUHBHUKWDRKCBT-MEBBXXQBSA-N 0 0 347.846 4.312 50 0 EIAARN Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3)n2)cc1Cl ZINC000096293601 564146496 /nfs/dbraw/zinc/14/64/96/564146496.db2.gz RUWVGSMXXURXFO-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2ccco2)no1 ZINC000096293954 564146520 /nfs/dbraw/zinc/14/65/20/564146520.db2.gz QKQQZBHCKPQKSV-CZUORRHYSA-N 0 0 339.395 4.155 50 0 EIAARN O=C(/C=C\c1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1 ZINC000096307671 564146669 /nfs/dbraw/zinc/14/66/69/564146669.db2.gz VEGOGVCWFDQYBG-WCIBSUBMSA-N 0 0 335.338 4.060 50 0 EIAARN Cc1nc(/C=C\C(=O)Nc2ccccc2NCC(F)(F)F)cs1 ZINC000096313884 564146727 /nfs/dbraw/zinc/14/67/27/564146727.db2.gz RHQUAFDOSNXSLL-SREVYHEPSA-N 0 0 341.358 4.078 50 0 EIAARN CC[C@@H](C)[C@H](C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000007969771 564146883 /nfs/dbraw/zinc/14/68/83/564146883.db2.gz PVDCDPAPMMLEOF-KUHUBIRLSA-N 0 0 327.424 4.472 50 0 EIAARN CO[C@](C)(CNC(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 ZINC000096392362 564147001 /nfs/dbraw/zinc/14/70/01/564147001.db2.gz CHBMSPFSAXNTSN-TZZQJPOUSA-N 0 0 329.827 4.031 50 0 EIAARN Cc1oc(-c2cccs2)nc1C[S@@](=O)CCc1ccccc1 ZINC000096404321 564147236 /nfs/dbraw/zinc/14/72/36/564147236.db2.gz QAYSUSQRRXTKJM-JOCHJYFZSA-N 0 0 331.462 4.203 50 0 EIAARN CNC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000096405078 564147288 /nfs/dbraw/zinc/14/72/88/564147288.db2.gz IRPGTMHVXBQSGK-QXMHVHEDSA-N 0 0 343.386 4.045 50 0 EIAARN COc1cccc(CSCc2csc(N(C(C)=O)C3CC3)n2)c1 ZINC000096406208 564147349 /nfs/dbraw/zinc/14/73/49/564147349.db2.gz FKXOORXWRYFKLS-UHFFFAOYSA-N 0 0 348.493 4.100 50 0 EIAARN Cc1c(C[S@@](C)=O)cccc1NC(=O)CCc1cccc(Cl)c1 ZINC000096408324 564147500 /nfs/dbraw/zinc/14/75/00/564147500.db2.gz YEDWBRWGHWYESH-QHCPKHFHSA-N 0 0 349.883 4.098 50 0 EIAARN O=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@H]1c1ccsc1 ZINC000096413787 564147662 /nfs/dbraw/zinc/14/76/62/564147662.db2.gz LVJLPNAPFHHJCY-HNNXBMFYSA-N 0 0 344.461 4.371 50 0 EIAARN CCO[C@H](C)c1nc(C(=O)N2CC[C@H](c3ccccc3C)C2)cs1 ZINC000096416440 564147768 /nfs/dbraw/zinc/14/77/68/564147768.db2.gz IYCADFIYQKBQHT-CABCVRRESA-N 0 0 344.480 4.179 50 0 EIAARN CC[C@@](C)(NC(=O)Nc1cccc([C@H](C)OC)c1)c1nccs1 ZINC000096418042 564147855 /nfs/dbraw/zinc/14/78/55/564147855.db2.gz UYUPUGMTHBVDGR-YVEFUNNKSA-N 0 0 333.457 4.297 50 0 EIAARN COC[C@H]1CCN(C(=O)Nc2c(F)cccc2Oc2ccccc2)C1 ZINC000096418064 564147904 /nfs/dbraw/zinc/14/79/04/564147904.db2.gz GCMVTVPVPWZUDX-AWEZNQCLSA-N 0 0 344.386 4.118 50 0 EIAARN CSc1ccc(O[C@@H](C)C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 ZINC000096418250 564147916 /nfs/dbraw/zinc/14/79/16/564147916.db2.gz NRLMQQCNJOUVHD-AWEZNQCLSA-N 0 0 347.484 4.209 50 0 EIAARN Cc1ccc2c(c1)OCCN2Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000126524951 564149010 /nfs/dbraw/zinc/14/90/10/564149010.db2.gz GSWOBUURCXCAGC-UHFFFAOYSA-N 0 0 341.798 4.097 50 0 EIAARN COc1cccc([C@@H](NCc2cc(F)cc(F)c2)c2cccnc2)c1 ZINC000097021671 564149125 /nfs/dbraw/zinc/14/91/25/564149125.db2.gz KLHNYAHXMQAMJR-HXUWFJFHSA-N 0 0 340.373 4.248 50 0 EIAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@@H]1CCCS1 ZINC000097021730 564149135 /nfs/dbraw/zinc/14/91/35/564149135.db2.gz HHNILSYVIMOIAD-STQMWFEESA-N 0 0 341.546 4.173 50 0 EIAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCc1ccco1 ZINC000097021716 564149164 /nfs/dbraw/zinc/14/91/64/564149164.db2.gz QFTDOCVJXSNQPR-CYBMUJFWSA-N 0 0 335.473 4.113 50 0 EIAARN C[C@@H]1CCCCN1C(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000002461366 564149680 /nfs/dbraw/zinc/14/96/80/564149680.db2.gz PAWFKMCEKJNAHP-LLVKDONJSA-N 0 0 327.405 4.022 50 0 EIAARN CN(C(=O)c1ccc(Oc2ccccc2)cn1)c1ccc(Cl)cn1 ZINC000225648103 564150123 /nfs/dbraw/zinc/15/01/23/564150123.db2.gz ORNBLNHHNYNKDH-UHFFFAOYSA-N 0 0 339.782 4.199 50 0 EIAARN O=C(NCc1ccnc(-c2ccco2)c1)c1ccccc1C(F)(F)F ZINC000225655023 564150139 /nfs/dbraw/zinc/15/01/39/564150139.db2.gz BPUMBGUHBRYXNB-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN Cc1cc(CCC(=O)NCc2cccnc2-c2ccco2)ccc1F ZINC000225660930 564150191 /nfs/dbraw/zinc/15/01/91/564150191.db2.gz CJKPAWMDIIDMQX-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN C[C@H](O)c1ccc(C2(CNC(=O)c3ccccc3F)CCCC2)s1 ZINC000225680599 564150251 /nfs/dbraw/zinc/15/02/51/564150251.db2.gz GXJOHFXLLBXOFI-ZDUSSCGKSA-N 0 0 347.455 4.182 50 0 EIAARN Cc1ccn(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 ZINC000028219905 564150710 /nfs/dbraw/zinc/15/07/10/564150710.db2.gz XTKYLALIYRPGBA-UHFFFAOYSA-N 0 0 345.324 4.452 50 0 EIAARN CCOC(=O)N[C@@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000028294265 564150912 /nfs/dbraw/zinc/15/09/12/564150912.db2.gz UOXBSSRMDKVAAZ-INIZCTEOSA-N 0 0 349.839 4.387 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)c(F)c1F ZINC000002623807 564151282 /nfs/dbraw/zinc/15/12/82/564151282.db2.gz LAYNPZQIBQWOOO-UHFFFAOYSA-N 0 0 332.281 4.320 50 0 EIAARN CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2[nH]1 ZINC000002625197 564151333 /nfs/dbraw/zinc/15/13/33/564151333.db2.gz QUYYZZUHOXGDQT-UHFFFAOYSA-N 0 0 326.421 4.457 50 0 EIAARN CCC(CC)c1nnc(NC(=O)CCc2ccccc2OC)s1 ZINC000002628758 564151398 /nfs/dbraw/zinc/15/13/98/564151398.db2.gz URWQGXLSMZQNSX-UHFFFAOYSA-N 0 0 333.457 4.022 50 0 EIAARN COc1ccc(CCNC(=O)c2oc3c(cccc3Cl)c2C)cc1 ZINC000002632508 564151487 /nfs/dbraw/zinc/15/14/87/564151487.db2.gz ZJOLTWOXVPTSHJ-UHFFFAOYSA-N 0 0 343.810 4.376 50 0 EIAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000002641056 564151690 /nfs/dbraw/zinc/15/16/90/564151690.db2.gz GKTILMBLPOWCKT-UHFFFAOYSA-N 0 0 334.346 4.318 50 0 EIAARN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc2C1 ZINC000002654303 564151929 /nfs/dbraw/zinc/15/19/29/564151929.db2.gz CPRJMXFKVFNOLO-INIZCTEOSA-N 0 0 331.415 4.192 50 0 EIAARN S=C1S[C@@H]2c3ccccc3CCN2[C@H]2c3ccccc3CCN12 ZINC000230024055 564152218 /nfs/dbraw/zinc/15/22/18/564152218.db2.gz DGPLTIIRAYJRDI-QZTJIDSGSA-N 0 0 338.501 4.132 50 0 EIAARN C[C@@H](C(=O)NC1CCCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002778335 564152599 /nfs/dbraw/zinc/15/25/99/564152599.db2.gz JJCPZNYBOXYIHL-QMMMGPOBSA-N 0 0 349.784 4.053 50 0 EIAARN Cc1nn(C)cc1C(CC(=O)c1ccccc1)CC(=O)c1ccccc1 ZINC000002783920 564152617 /nfs/dbraw/zinc/15/26/17/564152617.db2.gz XFEVPVTYUZLDSX-UHFFFAOYSA-N 0 0 346.430 4.358 50 0 EIAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)C2CCCCC2)c1 ZINC000057010732 564153205 /nfs/dbraw/zinc/15/32/05/564153205.db2.gz HLCXKPPJOJSDFI-UHFFFAOYSA-N 0 0 330.497 4.315 50 0 EIAARN CN(Cc1cccs1)C(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000057183910 564153354 /nfs/dbraw/zinc/15/33/54/564153354.db2.gz ALQNDQZXLZRTHR-UHFFFAOYSA-N 0 0 349.883 4.108 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)s1 ZINC000057263937 564153422 /nfs/dbraw/zinc/15/34/22/564153422.db2.gz DABLQQYUHIVVNW-AWEZNQCLSA-N 0 0 347.455 4.121 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)s1 ZINC000057263936 564153447 /nfs/dbraw/zinc/15/34/47/564153447.db2.gz DABLQQYUHIVVNW-CQSZACIVSA-N 0 0 347.455 4.121 50 0 EIAARN COc1cccc(CNC(=O)CCSCc2ccccc2Cl)c1 ZINC000002953822 564153791 /nfs/dbraw/zinc/15/37/91/564153791.db2.gz FVIRPOBAWYOKGL-UHFFFAOYSA-N 0 0 349.883 4.288 50 0 EIAARN COc1ccc(C)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000057412249 564154058 /nfs/dbraw/zinc/15/40/58/564154058.db2.gz FSFVKWYVVXDHFS-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000057416227 564154217 /nfs/dbraw/zinc/15/42/17/564154217.db2.gz BYQZCQVDSSLMMW-LLVKDONJSA-N 0 0 328.799 4.321 50 0 EIAARN CCN(CC)c1ccc(CNC(=O)c2cc3ccccc3s2)cn1 ZINC000057517054 564154667 /nfs/dbraw/zinc/15/46/67/564154667.db2.gz AZWLDSBNASCGSH-UHFFFAOYSA-N 0 0 339.464 4.073 50 0 EIAARN C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000030116435 564155412 /nfs/dbraw/zinc/15/54/12/564155412.db2.gz YOJGMPOQRVDTGB-GFCCVEGCSA-N 0 0 336.357 4.262 50 0 EIAARN NC(=O)c1csc(CNc2ccc3nc(C(F)F)sc3c2)c1 ZINC000353104310 564155718 /nfs/dbraw/zinc/15/57/18/564155718.db2.gz WMGGKQSSSIMIKN-UHFFFAOYSA-N 0 0 339.392 4.006 50 0 EIAARN C[C@@H](N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl ZINC000057816046 564155929 /nfs/dbraw/zinc/15/59/29/564155929.db2.gz JRBMEBKRDFUZIT-BEFAXECRSA-N 0 0 342.870 4.354 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1 ZINC000003214028 564156062 /nfs/dbraw/zinc/15/60/62/564156062.db2.gz UIEIEUXBGKOFBU-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN O=C(CCc1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 ZINC000003220104 564156116 /nfs/dbraw/zinc/15/61/16/564156116.db2.gz VGOKIWSGKCWUIA-MRXNPFEDSA-N 0 0 336.460 4.423 50 0 EIAARN CCCc1ccccc1NC(=O)c1cnc2c(C)cc(F)cc2c1O ZINC000163052403 564156154 /nfs/dbraw/zinc/15/61/54/564156154.db2.gz MUGSEDDUKLJCNZ-UHFFFAOYSA-N 0 0 338.382 4.180 50 0 EIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(Br)cc1 ZINC000003233390 564156394 /nfs/dbraw/zinc/15/63/94/564156394.db2.gz RPLPPUADJVJGKL-VXGBXAGGSA-N 0 0 342.302 4.331 50 0 EIAARN O=C1N[C@@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CCC3 ZINC000003240153 564156447 /nfs/dbraw/zinc/15/64/47/564156447.db2.gz CEYOGXWGSYWISG-CYBMUJFWSA-N 0 0 339.247 4.398 50 0 EIAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1ncccn1 ZINC000003256996 564156645 /nfs/dbraw/zinc/15/66/45/564156645.db2.gz LLCJZJOXKJUHHP-UHFFFAOYSA-N 0 0 329.469 4.454 50 0 EIAARN COc1ccc(NC(=O)[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000057990391 564156967 /nfs/dbraw/zinc/15/69/67/564156967.db2.gz VZULSNSBRFMHGQ-GOSISDBHSA-N 0 0 344.842 4.124 50 0 EIAARN COC(=O)c1ccc(O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003286967 564156974 /nfs/dbraw/zinc/15/69/74/564156974.db2.gz KWONYMDDUIPMLW-CQSZACIVSA-N 0 0 340.419 4.421 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)cc1 ZINC000003290720 564157094 /nfs/dbraw/zinc/15/70/94/564157094.db2.gz KIOPNTBWWZUGFS-INIZCTEOSA-N 0 0 348.446 4.006 50 0 EIAARN CN(C(=S)NCc1ccco1)C(c1ccccc1)c1ccccc1 ZINC000003299913 564157144 /nfs/dbraw/zinc/15/71/44/564157144.db2.gz NUBVPQCHXLGNOW-UHFFFAOYSA-N 0 0 336.460 4.376 50 0 EIAARN CC[C@H](OC)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000058032454 564157300 /nfs/dbraw/zinc/15/73/00/564157300.db2.gz PPEGYTQBJDQIMB-INIZCTEOSA-N 0 0 330.453 4.052 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000058156530 564157835 /nfs/dbraw/zinc/15/78/35/564157835.db2.gz GXWOQIUPGGUGJE-KRWDZBQOSA-N 0 0 340.423 4.178 50 0 EIAARN CC1(C)C[C@]1(CNC(=O)c1ccc(-c2cnco2)cc1)c1ccccc1 ZINC000670441973 564157993 /nfs/dbraw/zinc/15/79/93/564157993.db2.gz RUQYZXKYWWAXJE-QFIPXVFZSA-N 0 0 346.430 4.439 50 0 EIAARN Cc1nc(C)c(C(=O)N(C)Cc2cccc(Cl)c2Cl)s1 ZINC000030899233 564158118 /nfs/dbraw/zinc/15/81/18/564158118.db2.gz PHENALJUOOUXKT-UHFFFAOYSA-N 0 0 329.252 4.339 50 0 EIAARN CCSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C ZINC000003477167 564158326 /nfs/dbraw/zinc/15/83/26/564158326.db2.gz PJJALISJCQNMBM-UHFFFAOYSA-N 0 0 330.844 4.403 50 0 EIAARN CCCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1OC ZINC000003482960 564158403 /nfs/dbraw/zinc/15/84/03/564158403.db2.gz WFOKOTVFRNTEIE-UHFFFAOYSA-N 0 0 329.396 4.135 50 0 EIAARN C[C@H](OC(=O)c1ccco1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003514582 564158624 /nfs/dbraw/zinc/15/86/24/564158624.db2.gz SAEOMQWLRCOZAQ-AWEZNQCLSA-N 0 0 335.359 4.131 50 0 EIAARN CSc1c(F)cc(NC(=O)c2ccncc2C(F)(F)F)cc1F ZINC000354620337 564158676 /nfs/dbraw/zinc/15/86/76/564158676.db2.gz MWBSVQGXEKZVNT-UHFFFAOYSA-N 0 0 348.296 4.353 50 0 EIAARN C[C@@H](OC(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003529732 564158747 /nfs/dbraw/zinc/15/87/47/564158747.db2.gz SQWBNDFSODLCJT-MRVPVSSYSA-N 0 0 344.219 4.239 50 0 EIAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(-n2cccc2)cc1 ZINC000031561924 564159554 /nfs/dbraw/zinc/15/95/54/564159554.db2.gz PTROWDALBCCVBJ-UHFFFAOYSA-N 0 0 328.375 4.120 50 0 EIAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2ccc(C)cc2)cc1 ZINC000031682498 564159699 /nfs/dbraw/zinc/15/96/99/564159699.db2.gz SMPLAGWLHCAGNX-CQSZACIVSA-N 0 0 327.449 4.167 50 0 EIAARN O=C(N[C@@H](c1cccs1)C1CCCC1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000031805696 564159867 /nfs/dbraw/zinc/15/98/67/564159867.db2.gz CSDJEDVMTINRJG-IXEWLPCDSA-N 0 0 345.508 4.491 50 0 EIAARN Cc1ccc(C)c(C(=O)CSc2nnc(CC3CCCC3)[nH]2)c1 ZINC000031797769 564159877 /nfs/dbraw/zinc/15/98/77/564159877.db2.gz KEAASZXCFXQYKK-UHFFFAOYSA-N 0 0 329.469 4.129 50 0 EIAARN CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000004023126 564160066 /nfs/dbraw/zinc/16/00/66/564160066.db2.gz LDIFWCUQQYZOLG-KMPVGCBOSA-N 0 0 346.511 4.020 50 0 biogenic EIAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CCCCCC1 ZINC000031903801 564160183 /nfs/dbraw/zinc/16/01/83/564160183.db2.gz LAPCUEQZGCNZMI-UHFFFAOYSA-N 0 0 336.284 4.303 50 0 EIAARN CCOc1ccccc1OCC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000032038848 564160534 /nfs/dbraw/zinc/16/05/34/564160534.db2.gz JFRGXEHCVJTYPS-NSHDSACASA-N 0 0 339.844 4.056 50 0 EIAARN CCCCC(=O)Nc1nc(C)c(-c2nc(-c3cccs3)no2)s1 ZINC000032094772 564160730 /nfs/dbraw/zinc/16/07/30/564160730.db2.gz HCVZMEIVCUCTEJ-UHFFFAOYSA-N 0 0 348.453 4.359 50 0 EIAARN Cc1cc(OCc2nc3c4ccccc4ncn3n2)cc(C)c1Cl ZINC000032117724 564160825 /nfs/dbraw/zinc/16/08/25/564160825.db2.gz TVYYXLXTVBXXJS-UHFFFAOYSA-N 0 0 338.798 4.127 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CC#N ZINC000004195284 564161083 /nfs/dbraw/zinc/16/10/83/564161083.db2.gz INRPBWOOOGNJSE-ZUHHCLADSA-N 0 0 327.468 4.163 50 0 EIAARN O=C(c1csc(-c2ccco2)n1)N1CCC(c2ccccc2)CC1 ZINC000032367424 564161259 /nfs/dbraw/zinc/16/12/59/564161259.db2.gz UFPIYWKILUFLLF-UHFFFAOYSA-N 0 0 338.432 4.423 50 0 EIAARN CC(=O)Nc1cccc(CNC(=O)c2sc3ccccc3c2C)c1 ZINC000032359777 564161276 /nfs/dbraw/zinc/16/12/76/564161276.db2.gz IOZDTOVVTGJXOB-UHFFFAOYSA-N 0 0 338.432 4.098 50 0 EIAARN O=C(CC1CCCCC1)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000032450542 564161454 /nfs/dbraw/zinc/16/14/54/564161454.db2.gz SQMUDTBELRHRJY-UHFFFAOYSA-N 0 0 337.423 4.243 50 0 EIAARN C[C@H](NC(=S)NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000007981188 564161725 /nfs/dbraw/zinc/16/17/25/564161725.db2.gz DLVFVHNKEMSGIL-KXBFYZLASA-N 0 0 340.492 4.058 50 0 EIAARN Cc1cccc2nc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)cn21 ZINC000007990390 564162006 /nfs/dbraw/zinc/16/20/06/564162006.db2.gz QHSLQQSMGFVOGS-GFCCVEGCSA-N 0 0 347.340 4.153 50 0 EIAARN CC(=O)N1N=C(c2cccc(C)c2)O[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000066351937 564162092 /nfs/dbraw/zinc/16/20/92/564162092.db2.gz AOKUJRFAJVAHJF-HXUWFJFHSA-N 0 0 333.391 4.024 50 0 EIAARN O=C([C@H]1CC=CCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008037501 564162338 /nfs/dbraw/zinc/16/23/38/564162338.db2.gz OKOOODLVOSHXCC-HNNXBMFYSA-N 0 0 326.465 4.359 50 0 EIAARN CCc1ccc(-c2nc(C)c(C(=O)Nc3nccs3)s2)cc1 ZINC000008060554 564162414 /nfs/dbraw/zinc/16/24/14/564162414.db2.gz HEQWPFUSULVPMG-UHFFFAOYSA-N 0 0 329.450 4.390 50 0 EIAARN Cc1sc2nc(C)nc(Nc3ccc(C(=O)N(C)C)cc3)c2c1C ZINC000008053425 564162430 /nfs/dbraw/zinc/16/24/30/564162430.db2.gz SJHHYQHXHASECX-UHFFFAOYSA-N 0 0 340.452 4.062 50 0 EIAARN COc1ccc(CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000008075326 564162567 /nfs/dbraw/zinc/16/25/67/564162567.db2.gz AGIMNNNYPQSJQB-HNNXBMFYSA-N 0 0 349.430 4.277 50 0 EIAARN C[C@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)C[C@H](C)O1 ZINC000008078460 564162582 /nfs/dbraw/zinc/16/25/82/564162582.db2.gz ZWJRXKLWRAPITF-RYUDHWBXSA-N 0 0 343.427 4.111 50 0 EIAARN COc1ccc(C)cc1NC(=O)CCC(=O)c1cc(C)sc1C ZINC000008082468 564162605 /nfs/dbraw/zinc/16/26/05/564162605.db2.gz BNYHEKJNQSMWGS-UHFFFAOYSA-N 0 0 331.437 4.284 50 0 EIAARN Cc1cc(SCC(=O)NC2CCCC2)c(C)cc1Br ZINC000008081931 564162608 /nfs/dbraw/zinc/16/26/08/564162608.db2.gz XGWIUOSGUMRDLG-UHFFFAOYSA-N 0 0 342.302 4.217 50 0 EIAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000008118301 564162827 /nfs/dbraw/zinc/16/28/27/564162827.db2.gz TUVCFJAMYCSZEI-ZDUSSCGKSA-N 0 0 348.368 4.091 50 0 EIAARN Cc1nc(COc2ccc(C(=O)NC3CCCCCC3)cc2)cs1 ZINC000008133633 564163103 /nfs/dbraw/zinc/16/31/03/564163103.db2.gz GWSRJTLQCRWSDT-UHFFFAOYSA-N 0 0 344.480 4.483 50 0 EIAARN O=C(CSc1ccccn1)N[C@H](c1cccs1)c1ccccc1 ZINC000008213131 564163593 /nfs/dbraw/zinc/16/35/93/564163593.db2.gz CKNKJQDRGOGYKG-SFHVURJKSA-N 0 0 340.473 4.141 50 0 EIAARN Cc1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000008232017 564163708 /nfs/dbraw/zinc/16/37/08/564163708.db2.gz DZHMGVIBSZLBTP-OAHLLOKOSA-N 0 0 325.437 4.444 50 0 EIAARN Fc1ccc(-c2cc3ncnc(-n4nnc5ccccc54)c3s2)cc1 ZINC000008232909 564163776 /nfs/dbraw/zinc/16/37/76/564163776.db2.gz LSOCWRAZQKEEOE-UHFFFAOYSA-N 0 0 347.378 4.231 50 0 EIAARN O=C(Nc1ccc(Cl)cc1F)c1cc2c(c(Cl)c1)OCO2 ZINC000008277260 564163977 /nfs/dbraw/zinc/16/39/77/564163977.db2.gz BKOKUFXCIKTBPV-UHFFFAOYSA-N 0 0 328.126 4.114 50 0 EIAARN Cc1ccsc1CN(C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000008309972 564164152 /nfs/dbraw/zinc/16/41/52/564164152.db2.gz NFJILLSAWTUMQJ-LLVKDONJSA-N 0 0 340.851 4.308 50 0 EIAARN Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)no1 ZINC000008343649 564164648 /nfs/dbraw/zinc/16/46/48/564164648.db2.gz NWVKLYJIJMSCDB-AWEZNQCLSA-N 0 0 340.448 4.318 50 0 EIAARN c1sc(-c2ccccc2)nc1CSc1nnnn1C1CCCC1 ZINC000008343162 564164658 /nfs/dbraw/zinc/16/46/58/564164658.db2.gz QRVIKHVFRNJGFF-UHFFFAOYSA-N 0 0 343.481 4.204 50 0 EIAARN O=C(Nc1ccncc1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000008383068 564164824 /nfs/dbraw/zinc/16/48/24/564164824.db2.gz KZNZNDSFKGRNFR-UHFFFAOYSA-N 0 0 336.778 4.218 50 0 EIAARN C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cccs1 ZINC000008391503 564165000 /nfs/dbraw/zinc/16/50/00/564165000.db2.gz ZBTJAGHQBIBCHQ-VIFPVBQESA-N 0 0 330.236 4.311 50 0 EIAARN CC(=O)CCSc1nnc(-c2cccc(C)c2)n1-c1ccccc1 ZINC000008393276 564165007 /nfs/dbraw/zinc/16/50/07/564165007.db2.gz BZHMOCNYBXZSKW-UHFFFAOYSA-N 0 0 337.448 4.314 50 0 EIAARN CN(Cc1cccs1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008394395 564165061 /nfs/dbraw/zinc/16/50/61/564165061.db2.gz ZIZLQCUMPFGUKR-UHFFFAOYSA-N 0 0 337.448 4.083 50 0 EIAARN C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1F ZINC000008403273 564165131 /nfs/dbraw/zinc/16/51/31/564165131.db2.gz RTJPWYPIOSXDHU-GFCCVEGCSA-N 0 0 328.362 4.256 50 0 EIAARN Cc1nc(S[C@H](C)C(=O)NCc2ccco2)n(C2CCCC2)c1C ZINC000008424625 564165181 /nfs/dbraw/zinc/16/51/81/564165181.db2.gz OAIPCVGYANHCQF-CQSZACIVSA-N 0 0 347.484 4.005 50 0 EIAARN CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccccc1OC ZINC000008558476 564165682 /nfs/dbraw/zinc/16/56/82/564165682.db2.gz YQCPVURREDFFCB-MRXNPFEDSA-N 0 0 327.424 4.362 50 0 EIAARN CCc1cc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)cc1O ZINC000008569477 564165738 /nfs/dbraw/zinc/16/57/38/564165738.db2.gz MAHVSWNEDMQEHX-UHFFFAOYSA-N 0 0 337.404 4.327 50 0 EIAARN Cc1cc(C)n(-c2nnc(Nc3cccc(C)c3)c3ccccc32)n1 ZINC000008594445 564165936 /nfs/dbraw/zinc/16/59/36/564165936.db2.gz PSBKCMRMEIDBNW-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN O=c1nc(SCc2cccc(F)c2)[nH]c2sc3c(c21)CCCC3 ZINC000008640181 564166176 /nfs/dbraw/zinc/16/61/76/564166176.db2.gz XJHKTEIWIAEJPM-UHFFFAOYSA-N 0 0 346.452 4.295 50 0 EIAARN CCOC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)F)n1 ZINC000008694192 564166398 /nfs/dbraw/zinc/16/63/98/564166398.db2.gz HPKGAQUYOKOKGI-UHFFFAOYSA-N 0 0 349.362 4.110 50 0 EIAARN C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccccc1 ZINC000008708044 564166537 /nfs/dbraw/zinc/16/65/37/564166537.db2.gz GLCKOMXNYWYKKG-SNVBAGLBSA-N 0 0 326.343 4.220 50 0 EIAARN C[C@H](Sc1ncc2ccccn21)C(=O)Nc1ccccc1Cl ZINC000008710135 564166596 /nfs/dbraw/zinc/16/65/96/564166596.db2.gz GLPOXWAQMCVBSX-NSHDSACASA-N 0 0 331.828 4.107 50 0 EIAARN CCOc1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OC ZINC000008718815 564166870 /nfs/dbraw/zinc/16/68/70/564166870.db2.gz QIYLTFZDDCQSQZ-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN Cc1nnc(Sc2ncnc3ccsc32)n1-c1ccccc1C ZINC000008729343 564167064 /nfs/dbraw/zinc/16/70/64/564167064.db2.gz GEVWEGOXZQZHMG-UHFFFAOYSA-N 0 0 339.449 4.040 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)Nc2cccc3cccnc32)cc1 ZINC000008728959 564167076 /nfs/dbraw/zinc/16/70/76/564167076.db2.gz CTIAZGULWFFLDQ-UHFFFAOYSA-N 0 0 348.402 4.235 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1ccc(Cl)cc1)O[C@@H](C)C2 ZINC000008748584 564167242 /nfs/dbraw/zinc/16/72/42/564167242.db2.gz DUANUVSFCBOUPT-NSHDSACASA-N 0 0 331.799 4.314 50 0 EIAARN O=C(C[C@H]1OCCc2sccc21)N1CCC[C@@H]1c1ccsc1 ZINC000069418811 564169318 /nfs/dbraw/zinc/16/93/18/564169318.db2.gz MTLTXPLGBZDJDF-HUUCEWRRSA-N 0 0 333.478 4.177 50 0 EIAARN CCN(C(=O)CCc1c(C)noc1Cl)[C@H](C)c1ccc(F)cc1 ZINC000069421284 564169433 /nfs/dbraw/zinc/16/94/33/564169433.db2.gz BNRXVYCHYDPXOS-GFCCVEGCSA-N 0 0 338.810 4.318 50 0 EIAARN O=[S@@](Cc1coc(-c2ccccc2)n1)Cc1cccc(Cl)c1 ZINC000069491129 564169920 /nfs/dbraw/zinc/16/99/20/564169920.db2.gz JKUGMEWWAKEAAH-QFIPXVFZSA-N 0 0 331.824 4.444 50 0 EIAARN CCCCN1c2ccc(NC(=O)C3CCCCC3)cc2CCC1=O ZINC000009136822 564170378 /nfs/dbraw/zinc/17/03/78/564170378.db2.gz QEZVOXXPZZJBNK-UHFFFAOYSA-N 0 0 328.456 4.285 50 0 EIAARN CC[C@@H](C)Sc1ccc(NC(=O)N2CCC(CO)CC2)c(C)c1 ZINC000069564026 564170507 /nfs/dbraw/zinc/17/05/07/564170507.db2.gz RIHRKDOWBFHFKH-CQSZACIVSA-N 0 0 336.501 4.122 50 0 EIAARN CC[C@@H]1CCCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000069570822 564170611 /nfs/dbraw/zinc/17/06/11/564170611.db2.gz CKFTTWYXDCPDHA-CTWPCTMYSA-N 0 0 348.531 4.033 50 0 EIAARN Cc1cccc(N(C)C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1C ZINC000069587979 564170729 /nfs/dbraw/zinc/17/07/29/564170729.db2.gz YEECEWYZBAIMJY-UHFFFAOYSA-N 0 0 346.434 4.038 50 0 EIAARN CC(C)CCN1c2ccc(NC(=O)c3ccccc3)cc2CCC1=O ZINC000009164875 564170826 /nfs/dbraw/zinc/17/08/26/564170826.db2.gz YSWBJQSWALLKTL-UHFFFAOYSA-N 0 0 336.435 4.264 50 0 EIAARN C[C@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)c1ccccn1 ZINC000069616999 564170890 /nfs/dbraw/zinc/17/08/90/564170890.db2.gz QYFNXCIYILTTAU-NSHDSACASA-N 0 0 338.436 4.451 50 0 EIAARN CCC[C@H](c1ccccn1)N(C)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000069618716 564170911 /nfs/dbraw/zinc/17/09/11/564170911.db2.gz AGCMKVLCNNBBLY-GOSISDBHSA-N 0 0 349.438 4.272 50 0 EIAARN NC(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)sc2Cl)c1 ZINC000069620636 564170972 /nfs/dbraw/zinc/17/09/72/564170972.db2.gz OENSYOPJKIAJKO-UHFFFAOYSA-N 0 0 349.626 4.060 50 0 EIAARN CSc1ccc(C)c(C(=O)Nc2n[nH]c(-c3ccncc3)c2C)c1 ZINC000069737040 564171775 /nfs/dbraw/zinc/17/17/75/564171775.db2.gz BRZROXQMNOBAQA-UHFFFAOYSA-N 0 0 338.436 4.063 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000069745093 564171962 /nfs/dbraw/zinc/17/19/62/564171962.db2.gz VRUUMOKVVGEQGT-GFCCVEGCSA-N 0 0 337.379 4.221 50 0 EIAARN CC(C)(C)c1cnc(CNC2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000069773370 564172096 /nfs/dbraw/zinc/17/20/96/564172096.db2.gz CYHLTIVUVPKYRA-UHFFFAOYSA-N 0 0 348.874 4.421 50 0 EIAARN Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000069779631 564172219 /nfs/dbraw/zinc/17/22/19/564172219.db2.gz MMZPEUFZHNMHMS-SFHVURJKSA-N 0 0 348.406 4.318 50 0 EIAARN CN(C(=O)c1cccs1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000069811190 564172287 /nfs/dbraw/zinc/17/22/87/564172287.db2.gz ZBNQDAULKOTRKS-QGZVFWFLSA-N 0 0 344.386 4.283 50 0 EIAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(NC2CCOCC2)cc1 ZINC000069814000 564172363 /nfs/dbraw/zinc/17/23/63/564172363.db2.gz KSNIORHBTWCJCE-XCVCLJGOSA-N 0 0 340.398 4.069 50 0 EIAARN Cc1csc(-c2ccc(NC(=O)N[C@H](C)c3cccnc3)cc2)n1 ZINC000069973211 564172978 /nfs/dbraw/zinc/17/29/78/564172978.db2.gz IBMHWNQPWUZVFD-CYBMUJFWSA-N 0 0 338.436 4.396 50 0 EIAARN CCN(C(=O)Nc1ccc(F)c(F)c1F)[C@@H](C)c1cccc(O)c1 ZINC000069972901 564172984 /nfs/dbraw/zinc/17/29/84/564172984.db2.gz DBFRODPZSPCMIO-JTQLQIEISA-N 0 0 338.329 4.425 50 0 EIAARN CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1 ZINC000041089893 564173100 /nfs/dbraw/zinc/17/31/00/564173100.db2.gz GGJHPSICLOMNJL-UHFFFAOYSA-N 0 0 349.434 4.281 50 0 EIAARN CC(C)NC(=S)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000070006741 564173222 /nfs/dbraw/zinc/17/32/22/564173222.db2.gz UCNUOCNKAWGIIO-WPUWVODUSA-N 0 0 336.504 4.156 50 0 EIAARN O=C([C@H]1C[C@@H]1c1ccccc1F)N1CCC(Cc2ccccc2)CC1 ZINC000070010752 564173282 /nfs/dbraw/zinc/17/32/82/564173282.db2.gz QBFZDGJNRHJGHZ-UXHICEINSA-N 0 0 337.438 4.411 50 0 EIAARN CC(C)(C)c1ccc2cc(C(=O)N3CCc4ccc(O)cc4C3)[nH]c2c1 ZINC000070017519 564173319 /nfs/dbraw/zinc/17/33/19/564173319.db2.gz QBDVABHTANLODF-UHFFFAOYSA-N 0 0 348.446 4.370 50 0 EIAARN Nc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccc(Cl)cc2)s1 ZINC000041155848 564173567 /nfs/dbraw/zinc/17/35/67/564173567.db2.gz GWWDZCRHKZNJJV-UHFFFAOYSA-N 0 0 347.802 4.437 50 0 EIAARN O=C(c1sccc1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000009596616 564174291 /nfs/dbraw/zinc/17/42/91/564174291.db2.gz QHMRKLVHZXRXTJ-UHFFFAOYSA-N 0 0 348.471 4.378 50 0 EIAARN COc1ccc2c(ccn2CCC(=O)Nc2cccc3[nH]ccc32)c1 ZINC000070666626 564174299 /nfs/dbraw/zinc/17/42/99/564174299.db2.gz GCPRCXISLUXKAE-UHFFFAOYSA-N 0 0 333.391 4.160 50 0 biogenic EIAARN CN1C(=O)CCc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 ZINC000009827737 564174654 /nfs/dbraw/zinc/17/46/54/564174654.db2.gz FHVHXBZQMCMGHU-UHFFFAOYSA-N 0 0 330.387 4.001 50 0 EIAARN O=C(CCc1nc2ccccc2s1)Nc1cc(F)c(F)c(F)c1 ZINC000071280451 564174850 /nfs/dbraw/zinc/17/48/50/564174850.db2.gz QYEUFNTZVQXABM-UHFFFAOYSA-N 0 0 336.338 4.285 50 0 EIAARN Cc1cc(C(=O)CN(C)Cc2ccc(F)c(F)c2)c(C)n1C(C)C ZINC000071796285 564175360 /nfs/dbraw/zinc/17/53/60/564175360.db2.gz XSTAPFLNOCBZDS-UHFFFAOYSA-N 0 0 334.410 4.279 50 0 EIAARN CCc1nnc(CN([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000071855445 564176067 /nfs/dbraw/zinc/17/60/67/564176067.db2.gz YDWPNZVGOUUELO-LLVKDONJSA-N 0 0 339.361 4.376 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000043000162 564176135 /nfs/dbraw/zinc/17/61/35/564176135.db2.gz CUWGHLPWKPYACL-KMYSJOAASA-N 0 0 345.487 4.038 50 0 EIAARN CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2nccs2)cc1 ZINC000071879725 564176346 /nfs/dbraw/zinc/17/63/46/564176346.db2.gz VHNVUBVNUPAOAF-OLZOCXBDSA-N 0 0 333.457 4.052 50 0 EIAARN O=C(c1ccc(NCc2ccon2)cc1)N1CCC[C@H]1c1ccccc1 ZINC000077246059 564176651 /nfs/dbraw/zinc/17/66/51/564176651.db2.gz PODWYUQBSFKUAW-FQEVSTJZSA-N 0 0 347.418 4.264 50 0 EIAARN O=c1c2ccc(Cl)cc2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000000390088 568414603 /nfs/dbraw/zinc/41/46/03/568414603.db2.gz JJLJEBYRENBDEC-UHFFFAOYSA-N 0 0 339.609 4.405 50 0 EIAARN O=C(Cc1nc(-c2ccc(Cl)cc2)cs1)NC(C1CC1)C1CC1 ZINC000048363330 568417969 /nfs/dbraw/zinc/41/79/69/568417969.db2.gz VMUODAJMRKQTBX-UHFFFAOYSA-N 0 0 346.883 4.311 50 0 EIAARN Nc1nc(-c2ccc(Cl)cc2)c(NC(=O)c2ccccc2)s1 ZINC000526049380 1032310855 /nfs/dbraw/zinc/31/08/55/1032310855.db2.gz WNHSVKOKOKICNM-UHFFFAOYSA-N 0 0 329.812 4.128 50 0 EIAARN C[C@H](Sc1nncn1C(C)(C)C)c1nccn1-c1ccccc1 ZINC000286784001 1019453191 /nfs/dbraw/zinc/45/31/91/1019453191.db2.gz ZDGKUIWWOXWQIN-ZDUSSCGKSA-N 0 0 327.457 4.072 50 0 EIAARN FC(F)Oc1ccc(CNCc2noc3c2CCCC3)cc1Cl ZINC000288486917 1020475651 /nfs/dbraw/zinc/47/56/51/1020475651.db2.gz QMXUTOUXHKKGSB-UHFFFAOYSA-N 0 0 342.773 4.098 50 0 EIAARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccccc2Cl)C1 ZINC000000211547 1022046220 /nfs/dbraw/zinc/04/62/20/1022046220.db2.gz BHZKSIOCAKZNTM-AWEZNQCLSA-N 0 0 332.831 4.123 50 0 EIAARN CCC(CC)c1cc(CN[C@@H](c2cccs2)c2ncc[nH]2)on1 ZINC000195045712 1022135623 /nfs/dbraw/zinc/13/56/23/1022135623.db2.gz TUDDQTOMRLAOLY-INIZCTEOSA-N 0 0 330.457 4.242 50 0 EIAARN O=C(Nc1ccc(SC(F)F)cc1)c1ccc2nccnc2c1 ZINC000002874820 1033032584 /nfs/dbraw/zinc/03/25/84/1033032584.db2.gz CDUAAQYLKYPZPG-UHFFFAOYSA-N 0 0 331.347 4.197 50 0 aggregator EIAARN Cc1cncc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1 ZINC000186672396 1022727411 /nfs/dbraw/zinc/72/74/11/1022727411.db2.gz XKJHDMMHTFWGEQ-OAHLLOKOSA-N 0 0 335.451 4.252 50 0 EIAARN CCCNC(=O)N1CC2(C[C@@H]1COCc1ccccc1)CCCCC2 ZINC000257190394 1022748913 /nfs/dbraw/zinc/74/89/13/1022748913.db2.gz MIQSVMBOLOQLKI-LJQANCHMSA-N 0 0 344.499 4.348 50 0 EIAARN Cc1nc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000186995636 1022814465 /nfs/dbraw/zinc/81/44/65/1022814465.db2.gz JBMOMEBJLUZCPV-CQSZACIVSA-N 0 0 340.370 4.448 50 0 EIAARN CN(Cc1ccccc1)Cn1[nH]c(/C=C/c2ccccc2)nc1=S ZINC000014187514 1022823213 /nfs/dbraw/zinc/82/32/13/1022823213.db2.gz RJIMRMYEHIOXPT-OUKQBFOZSA-N 0 0 336.464 4.201 50 0 EIAARN Cn1cc([C@H](Nc2ncnc3sc4c(c32)CCC4)C(C)(C)C)cn1 ZINC000674747495 1022914546 /nfs/dbraw/zinc/91/45/46/1022914546.db2.gz YNSDTNRPIWTPRW-HNNXBMFYSA-N 0 0 341.484 4.113 50 0 EIAARN O=C(/C=C/c1ccc(Cl)s1)Nc1ccc2c(c1)OCCCO2 ZINC000014410645 1023052699 /nfs/dbraw/zinc/05/26/99/1023052699.db2.gz JMWNHCYASNCPHV-QPJJXVBHSA-N 0 0 335.812 4.215 50 0 EIAARN O=C(Cc1ccccc1Cl)NCC(c1ccco1)c1ccco1 ZINC000675007770 1023310403 /nfs/dbraw/zinc/31/04/03/1023310403.db2.gz OQGIXCVQLJGHMU-UHFFFAOYSA-N 0 0 329.783 4.017 50 0 EIAARN O=C(CCc1ccccc1F)NC[C@@H](c1ccsc1)c1ccco1 ZINC000675008072 1023311694 /nfs/dbraw/zinc/31/16/94/1023311694.db2.gz VBPHKCMLJTWPQC-INIZCTEOSA-N 0 0 343.423 4.361 50 0 EIAARN CCOc1nn(C)c2ccc(NC(=O)Nc3ccccc3Cl)cc12 ZINC000675027895 1023345352 /nfs/dbraw/zinc/34/53/52/1023345352.db2.gz GNXFRBKAIQRGLM-UHFFFAOYSA-N 0 0 344.802 4.269 50 0 EIAARN CC(F)(F)c1cccc(NC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000189376402 1023425069 /nfs/dbraw/zinc/42/50/69/1023425069.db2.gz OKRDLVZLFAVGPP-KRWDZBQOSA-N 0 0 331.362 4.441 50 0 EIAARN Cc1csc([C@@H](NC(=O)Nc2c(C)cccc2C)C(F)(F)F)n1 ZINC000296720156 1023555475 /nfs/dbraw/zinc/55/54/75/1023555475.db2.gz BVLSAKOQRWYCKT-GFCCVEGCSA-N 0 0 343.374 4.493 50 0 EIAARN Cc1nc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)c(C)o1 ZINC000297607923 1023623356 /nfs/dbraw/zinc/62/33/56/1023623356.db2.gz GNCVXFVMGXRZGE-CYBMUJFWSA-N 0 0 346.736 4.320 50 0 EIAARN O=C(Nc1ccsc1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000157440616 1023637455 /nfs/dbraw/zinc/63/74/55/1023637455.db2.gz SILGVXJOKWNDFI-UHFFFAOYSA-N 0 0 341.480 4.055 50 0 EIAARN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)no1 ZINC000331572740 1023669284 /nfs/dbraw/zinc/66/92/84/1023669284.db2.gz QZJZVJXKVBHWHN-KGLIPLIRSA-N 0 0 338.329 4.068 50 0 EIAARN CCc1nocc1CN(C)C(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000331729386 1023709693 /nfs/dbraw/zinc/70/96/93/1023709693.db2.gz OQXOEJYXDGCYFN-UHFFFAOYSA-N 0 0 343.471 4.433 50 0 EIAARN CO[C@@H](C)c1nc(C)c(C(=O)N[C@@]2(C)CCCc3ccccc32)s1 ZINC000331887787 1023842512 /nfs/dbraw/zinc/84/25/12/1023842512.db2.gz DGLPJERZYRFIBB-DJJJIMSYSA-N 0 0 344.480 4.140 50 0 EIAARN CCn1ncc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1C(F)(F)F ZINC000333032519 1023957890 /nfs/dbraw/zinc/95/78/90/1023957890.db2.gz AVCFTQXDXKAVNG-IJLUTSLNSA-N 0 0 344.381 4.012 50 0 EIAARN Cc1nsc(C)c1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000333964187 1023988688 /nfs/dbraw/zinc/98/86/88/1023988688.db2.gz 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/nfs/dbraw/zinc/38/39/41/1030383941.db2.gz WYHNKJVQUDCKHX-ZDUSSCGKSA-N 0 0 348.399 4.043 50 0 EIAARN Cc1nnc(-c2ccccc2NC(=O)C/C=C/c2ccc(F)cc2)o1 ZINC000075092268 1030416005 /nfs/dbraw/zinc/41/60/05/1030416005.db2.gz TXYZEVRTOQGOSI-SNAWJCMRSA-N 0 0 337.354 4.226 50 0 EIAARN COC1=CC2=CC[C@H]3[C@H]4CC[C@](O)(C(C)=O)[C@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000257355398 1034627270 /nfs/dbraw/zinc/62/72/70/1034627270.db2.gz AMLZABRDYNLKCX-VTJFTLGMSA-N 0 0 344.495 4.410 50 0 EIAARN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)o1 ZINC000006947416 1035221295 /nfs/dbraw/zinc/22/12/95/1035221295.db2.gz MOQGCOXGTNOZIJ-VOTSOKGWSA-N 0 0 347.798 4.053 50 0 EIAARN CC(C)CCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000005860935 1035381011 /nfs/dbraw/zinc/38/10/11/1035381011.db2.gz TWDJFRRWXFTEPG-UHFFFAOYSA-N 0 0 331.441 4.093 50 0 EIAARN CO[C@@H](CNC(=O)/C=C/c1ccsc1)c1cc2ccccc2o1 ZINC000618255621 1035522078 /nfs/dbraw/zinc/52/20/78/1035522078.db2.gz GIQWUNFPDMLDEK-LXXRFIIISA-N 0 0 327.405 4.011 50 0 EIAARN Cc1cccc(NC(=O)N2CC[C@@H](CCOc3ccc(F)cc3)C2)c1 ZINC000257184511 1036334053 /nfs/dbraw/zinc/33/40/53/1036334053.db2.gz IOXOAVMBNMYVQP-INIZCTEOSA-N 0 0 342.414 4.457 50 0 EIAARN CC(C)Oc1cccc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)c1 ZINC000170610378 1036710142 /nfs/dbraw/zinc/71/01/42/1036710142.db2.gz KTDUYFNJKTXNRL-RGEXLXHISA-N 0 0 346.430 4.340 50 0 EIAARN CC(C)n1c2ccc(C(=O)N3CCC[C@H]3C)cc2nc1C(F)(F)F ZINC000173152588 1038106546 /nfs/dbraw/zinc/10/65/46/1038106546.db2.gz UAZZQHXPFZBVJR-LLVKDONJSA-N 0 0 339.361 4.261 50 0 EIAARN Cc1noc(C)c1CCC(=O)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096817257 1039405346 /nfs/dbraw/zinc/40/53/46/1039405346.db2.gz QUZVSHSDZWGNBH-KTKRTIGZSA-N 0 0 347.418 4.428 50 0 EIAARN COc1ccc(/C=C\C(=O)N2CCC[C@H]2c2cccs2)cc1F ZINC000096891781 1039718535 /nfs/dbraw/zinc/71/85/35/1039718535.db2.gz MSEYSIHWSAIKDA-VIHMKRCTSA-N 0 0 331.412 4.273 50 0 EIAARN CC(=O)[C@@H]1C[C@H](c2nc(-c3cc(C)c4ccccc4n3)no2)C1(C)C ZINC000809470921 1040036092 /nfs/dbraw/zinc/03/60/92/1040036092.db2.gz DYQLUAINENVRBX-LSDHHAIUSA-N 0 0 335.407 4.312 50 0 EIAARN Cc1nc2ccccc2nc1NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000089556230 1040258817 /nfs/dbraw/zinc/25/88/17/1040258817.db2.gz OTDBRNJXDOGVMI-HNNXBMFYSA-N 0 0 336.414 4.016 50 0 EIAARN O=C(NCc1cnc2ccccc2c1)c1ccc(-c2ccccc2)[nH]1 ZINC000347298698 1041022695 /nfs/dbraw/zinc/02/26/95/1041022695.db2.gz HKNKCNQKCONMFB-UHFFFAOYSA-N 0 0 327.387 4.160 50 0 EIAARN O=S(=O)(/C=C\c1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000096742790 1041558016 /nfs/dbraw/zinc/55/80/16/1041558016.db2.gz SWRWZOXFQZFHKP-SREVYHEPSA-N 0 0 328.220 4.406 50 0 EIAARN C[C@@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)C(=O)c1ccccc1 ZINC000607761516 1043073724 /nfs/dbraw/zinc/07/37/24/1043073724.db2.gz GKRUEJHDCUQZLI-SNVBAGLBSA-N 0 0 345.374 4.113 50 0 EIAARN Cc1ccc(SCCNC(=O)/C=C\c2nc3ccccc3o2)cc1 ZINC000212858779 1043424613 /nfs/dbraw/zinc/42/46/13/1043424613.db2.gz IZNUDWZRDFRTGM-KHPPLWFESA-N 0 0 338.432 4.058 50 0 EIAARN C[C@H]1c2cccn2CCN1Cc1cccc(OCc2ccccn2)c1 ZINC000179569495 1043819754 /nfs/dbraw/zinc/81/97/54/1043819754.db2.gz MFIVGCYHXAVTDP-KRWDZBQOSA-N 0 0 333.435 4.039 50 0 EIAARN CC(C)C[C@@H](NC(=O)c1cc(-c2ccccc2)no1)c1cccnc1 ZINC000821003993 1043896937 /nfs/dbraw/zinc/89/69/37/1043896937.db2.gz KDWPZCCBGOCORW-QGZVFWFLSA-N 0 0 335.407 4.254 50 0 EIAARN CC[C@@H](NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1ccc(C)cc1 ZINC000822655554 1044127073 /nfs/dbraw/zinc/12/70/73/1044127073.db2.gz WORFGHDNHRCPCG-LJQANCHMSA-N 0 0 340.467 4.462 50 0 EIAARN CCCC[C@@H](NC(=O)COc1ccccc1Cl)c1cccnc1 ZINC000822830955 1044175912 /nfs/dbraw/zinc/17/59/12/1044175912.db2.gz ZFVYSKBGCNVPRQ-MRXNPFEDSA-N 0 0 332.831 4.162 50 0 EIAARN CCOc1ccc(CN2CCC(Oc3ccncc3)CC2)cc1Cl ZINC000823383245 1044277486 /nfs/dbraw/zinc/27/74/86/1044277486.db2.gz YOIDWJACVBSBIA-UHFFFAOYSA-N 0 0 346.858 4.177 50 0 EIAARN CCn1c(C)cc2cc(NC(=O)[C@H](C)n3ccnc3C(C)C)ccc21 ZINC000823582595 1044291436 /nfs/dbraw/zinc/29/14/36/1044291436.db2.gz NDNLENJOUSUBPR-HNNXBMFYSA-N 0 0 338.455 4.489 50 0 EIAARN COc1cccc(Oc2ccc(NC(=O)c3cccn3C3CC3)cn2)c1 ZINC000824787732 1044531661 /nfs/dbraw/zinc/53/16/61/1044531661.db2.gz IBRDRJCTEPTGON-UHFFFAOYSA-N 0 0 349.390 4.271 50 0 EIAARN CN(Cc1ccon1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012306601 1044667339 /nfs/dbraw/zinc/66/73/39/1044667339.db2.gz RQEKUALRHCOODG-UHFFFAOYSA-N 0 0 344.418 4.364 50 0 EIAARN CC(=O)N1CCC(Cc2ccc(COc3ccc(F)cc3)cc2)CC1 ZINC000575551974 1045258400 /nfs/dbraw/zinc/25/84/00/1045258400.db2.gz KOEFTOOZSZEJFX-UHFFFAOYSA-N 0 0 341.426 4.206 50 0 EIAARN Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@H](C)c1cccs1 ZINC000153594633 1045311574 /nfs/dbraw/zinc/31/15/74/1045311574.db2.gz ZUZWTCFFYNLICA-CQSZACIVSA-N 0 0 337.448 4.347 50 0 EIAARN CCN(CC)C1=N[C@@H]2Nc3ccccc3N(CC)[C@H]2[C@@H]1c1ccccc1 ZINC000005322266 1046254405 /nfs/dbraw/zinc/25/44/05/1046254405.db2.gz FEAZVMDHAGNEQZ-ACRUOGEOSA-N 0 0 348.494 4.171 50 0 EIAARN CCC(=O)N1CCC[C@@H](c2n[nH]cc2-c2cccc3ccccc32)C1 ZINC000200598655 1046870451 /nfs/dbraw/zinc/87/04/51/1046870451.db2.gz GCTZSYNIXXONKQ-MRXNPFEDSA-N 0 0 333.435 4.346 50 0 EIAARN O=C(C=Cc1ccco1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000033674050 1047741741 /nfs/dbraw/zinc/74/17/41/1047741741.db2.gz FMOHYMVSKQQLFF-KTKRTIGZSA-N 0 0 344.366 4.290 50 0 EIAARN O=C(C=Cc1ccco1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000033776378 1047872779 /nfs/dbraw/zinc/87/27/79/1047872779.db2.gz OYPZZKKJWVZZGQ-DZFTYQQFSA-N 0 0 332.355 4.460 50 0 EIAARN Cc1nccnc1[C@H](C)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000631722652 1049553518 /nfs/dbraw/zinc/55/35/18/1049553518.db2.gz JWPUALFJHBXUJT-JTQLQIEISA-N 0 0 329.753 4.308 50 0 EIAARN O=C(Nc1ccc(NCCC2CCOCC2)cc1)N1CCCCCC1 ZINC000585117006 1049561469 /nfs/dbraw/zinc/56/14/69/1049561469.db2.gz ORQDYQMDCHUHFF-UHFFFAOYSA-N 0 0 345.487 4.323 50 0 EIAARN C[C@@H]1CC(Cn2c(C3CC3)nnc2N(C)C2CCCCC2)C[C@@H](C)O1 ZINC000585122727 1049580359 /nfs/dbraw/zinc/58/03/59/1049580359.db2.gz CVJGITLFJDXOLM-HUUCEWRRSA-N 0 0 346.519 4.128 50 0 EIAARN Cc1ccc(-c2noc([C@@H]3CCO[C@@H](c4ccccc4)O3)n2)cc1F ZINC000585133694 1049612995 /nfs/dbraw/zinc/61/29/95/1049612995.db2.gz RCDIXNCUIKAIGX-QFBILLFUSA-N 0 0 340.354 4.361 50 0 EIAARN CCCN1CCC[C@H]1c1nc(C2(c3cccc(OC)c3)CCC2)no1 ZINC000952845742 1049676249 /nfs/dbraw/zinc/67/62/49/1049676249.db2.gz PZDJWVFETKPGOS-KRWDZBQOSA-N 0 0 341.455 4.095 50 0 EIAARN Fc1ccc(OC[C@@H]2CCCO2)c(-c2cccc3nsnc32)c1 ZINC000952847880 1049678123 /nfs/dbraw/zinc/67/81/23/1049678123.db2.gz BHJLKRHJZLUPGQ-LBPRGKRZSA-N 0 0 330.384 4.055 50 0 EIAARN CC(C)N(CCc1c[nH]c2ccccc12)C(=O)c1cc(Cl)cn1C ZINC000952870194 1049679488 /nfs/dbraw/zinc/67/94/88/1049679488.db2.gz WXSGBGVPUAKUFZ-UHFFFAOYSA-N 0 0 343.858 4.253 50 0 EIAARN CCCCc1nc(CN[C@@H](c2nc3cc(C)ccc3[nH]2)C(C)C)c[nH]1 ZINC000952975500 1049685691 /nfs/dbraw/zinc/68/56/91/1049685691.db2.gz KHUCNJRBVQIWCN-LJQANCHMSA-N 0 0 339.487 4.424 50 0 EIAARN CCC[C@H](C(=O)Nc1ccc(NC(=O)CC)cc1C)n1cccc1 ZINC000952978654 1049685909 /nfs/dbraw/zinc/68/59/09/1049685909.db2.gz SLMFSHTWBBNMHV-QGZVFWFLSA-N 0 0 327.428 4.125 50 0 EIAARN COc1ccc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC000952981720 1049689419 /nfs/dbraw/zinc/68/94/19/1049689419.db2.gz JWQJUUSVZNZFNK-HNNXBMFYSA-N 0 0 341.451 4.239 50 0 EIAARN CCc1nccn1CCC(=O)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000952991785 1049689764 /nfs/dbraw/zinc/68/97/64/1049689764.db2.gz SOANIIDXQJJSJJ-SFHVURJKSA-N 0 0 343.446 4.119 50 0 EIAARN O=C(C[C@H](Cc1ccccc1)c1ccco1)N1CC(c2ccncc2)C1 ZINC000952989845 1049692331 /nfs/dbraw/zinc/69/23/31/1049692331.db2.gz XQGJHXVTTTVSED-IBGZPJMESA-N 0 0 346.430 4.017 50 0 EIAARN COCC1(NC(=O)c2ccc(-c3ccccc3Cl)o2)CCCC1 ZINC000952986875 1049692845 /nfs/dbraw/zinc/69/28/45/1049692845.db2.gz GMMXTRHHESOIRC-UHFFFAOYSA-N 0 0 333.815 4.289 50 0 EIAARN C[C@H](c1cccnc1)N(C)Cc1csc(COc2ccccc2)n1 ZINC000180798853 1049944280 /nfs/dbraw/zinc/94/42/80/1049944280.db2.gz VTQHMGYOLAWBSF-OAHLLOKOSA-N 0 0 339.464 4.310 50 0 EIAARN O=C(N[C@H]1CCCOCC1)N(Cc1ccccc1F)C1CCCCC1 ZINC000181753372 1050326002 /nfs/dbraw/zinc/32/60/02/1050326002.db2.gz LBGATCAGECDCMZ-KRWDZBQOSA-N 0 0 348.462 4.239 50 0 EIAARN COc1cc(F)ccc1NC1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000182574024 1050758032 /nfs/dbraw/zinc/75/80/32/1050758032.db2.gz SRNXEFCRRUANNE-UHFFFAOYSA-N 0 0 340.398 4.079 50 0 EIAARN Cc1ccsc1C(=O)N1CC[C@@H](CCOc2ccc(C)cc2)C1 ZINC000581788635 1059993328 /nfs/dbraw/zinc/99/33/28/1059993328.db2.gz RFXAVYYEHSHFDZ-INIZCTEOSA-N 0 0 329.465 4.296 50 0 EIAARN Cc1cccc(NC(=O)N2CC[C@@H](CCOc3ccccc3F)C2)c1 ZINC000581788533 1059994141 /nfs/dbraw/zinc/99/41/41/1059994141.db2.gz NTPHKDSERYADED-INIZCTEOSA-N 0 0 342.414 4.457 50 0 EIAARN O=C(c1ccoc1)N1CCCCC[C@@H]1c1nnc(-c2ccccc2)o1 ZINC000581790487 1060007650 /nfs/dbraw/zinc/00/76/50/1060007650.db2.gz LHMKEFZTHDMEMV-MRXNPFEDSA-N 0 0 337.379 4.087 50 0 EIAARN Cc1cnc(CCNC(=O)NC2CCCCC2)n1C1CCCCCC1 ZINC000581815281 1060021289 /nfs/dbraw/zinc/02/12/89/1060021289.db2.gz BQOAZZANIRUDKV-UHFFFAOYSA-N 0 0 346.519 4.261 50 0 EIAARN CCCn1c(C)cnc1C[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000581815408 1060022165 /nfs/dbraw/zinc/02/21/65/1060022165.db2.gz BKZQYPIUASCFJS-GOSISDBHSA-N 0 0 339.483 4.005 50 0 EIAARN Cc1cnc(-c2ccccc2)n1C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000581808669 1060023178 /nfs/dbraw/zinc/02/31/78/1060023178.db2.gz FQQJHXHUBHLCAO-UHFFFAOYSA-N 0 0 340.471 4.004 50 0 EIAARN Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2ncccn21 ZINC000004734095 210264836 /nfs/dbraw/zinc/26/48/36/210264836.db2.gz NAHHPCHDNDEVQS-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@H]3C)n[nH]2)cc1 ZINC000051315533 214087030 /nfs/dbraw/zinc/08/70/30/214087030.db2.gz UCMPFLKFECQOFL-CQSZACIVSA-N 0 0 347.418 4.067 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)n[nH]2)cc1 ZINC000051315462 214087311 /nfs/dbraw/zinc/08/73/11/214087311.db2.gz RLSCGSQPGCNVEH-UHFFFAOYSA-N 0 0 341.798 4.381 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 ZINC000051354346 214090311 /nfs/dbraw/zinc/09/03/11/214090311.db2.gz NFCCPAWECUXJOJ-UHFFFAOYSA-N 0 0 348.200 4.052 50 0 EIAARN C[C@@]12CCCC(=O)N1CCc1c3ccccc3n(Cc3ccccc3)c12 ZINC000051943496 214110543 /nfs/dbraw/zinc/11/05/43/214110543.db2.gz JVSJJJJSMLYLDV-QHCPKHFHSA-N 0 0 344.458 4.473 50 0 EIAARN Cc1nc(-c2ccc(N[C@H](C)C(=O)N3CCC(C)CC3)cc2)cs1 ZINC000052774639 214144791 /nfs/dbraw/zinc/14/47/91/214144791.db2.gz DSIWIDYGHMVTLI-CQSZACIVSA-N 0 0 343.496 4.177 50 0 EIAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(N3CCCC3)s2)cc1C ZINC000052911708 214153867 /nfs/dbraw/zinc/15/38/67/214153867.db2.gz DIMXMADTQAAXQV-CYBMUJFWSA-N 0 0 347.509 4.119 50 0 EIAARN O=C(NCc1ccccn1)Nc1cccc(C2SCCCS2)c1 ZINC000053247302 214172849 /nfs/dbraw/zinc/17/28/49/214172849.db2.gz OFNWKUQWIRKRKV-UHFFFAOYSA-N 0 0 345.493 4.272 50 0 EIAARN N=c1sc2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000004718338 210257996 /nfs/dbraw/zinc/25/79/96/210257996.db2.gz UUUIDRKMWAVFMJ-ZDUSSCGKSA-N 0 0 339.247 4.223 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)on1 ZINC000053400684 214181831 /nfs/dbraw/zinc/18/18/31/214181831.db2.gz SSDCASCLPNARTR-LBPRGKRZSA-N 0 0 345.449 4.145 50 0 EIAARN Cc1nc2sc3c(c2c(NCc2ccc([C@H](C)O)cc2)n1)CCC3 ZINC000053601853 214190432 /nfs/dbraw/zinc/19/04/32/214190432.db2.gz DVZFPTTWPCJLHA-NSHDSACASA-N 0 0 339.464 4.154 50 0 EIAARN Cc1cc(C)n(Cc2cccc(CNc3nc4ccccc4o3)c2)n1 ZINC000053573300 214189367 /nfs/dbraw/zinc/18/93/67/214189367.db2.gz RLXIQXWEHNJPMD-UHFFFAOYSA-N 0 0 332.407 4.302 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2cc3c(nc4sccn34)s2)cc1 ZINC000053601350 214189815 /nfs/dbraw/zinc/18/98/15/214189815.db2.gz LVCVSSTZUWIINY-UHFFFAOYSA-N 0 0 341.417 4.065 50 0 EIAARN Cc1nc2sc3c(c2c(NCc2ccc([C@@H](C)O)cc2)n1)CCC3 ZINC000053601852 214190252 /nfs/dbraw/zinc/19/02/52/214190252.db2.gz DVZFPTTWPCJLHA-LLVKDONJSA-N 0 0 339.464 4.154 50 0 EIAARN O=C(CSc1nncn1C1CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000053675264 214194403 /nfs/dbraw/zinc/19/44/03/214194403.db2.gz WLKWPFVBNRBUJH-UHFFFAOYSA-N 0 0 347.443 4.159 50 0 EIAARN Fc1ccc([C@@H]2CCN2Cc2cnn(-c3cccc(F)c3)c2)cc1 ZINC000097730033 219051353 /nfs/dbraw/zinc/05/13/53/219051353.db2.gz WABWMDURXXQJNL-IBGZPJMESA-N 0 0 325.362 4.098 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(-n2cccn2)c1 ZINC000097729443 219051461 /nfs/dbraw/zinc/05/14/61/219051461.db2.gz CGRPGSKVOGUBGW-FQEVSTJZSA-N 0 0 331.419 4.158 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000004700717 210252379 /nfs/dbraw/zinc/25/23/79/210252379.db2.gz BWUGVKZZTOOPOG-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000054672332 214250500 /nfs/dbraw/zinc/25/05/00/214250500.db2.gz OIIPCDVJUNFUNN-UHFFFAOYSA-N 0 0 347.418 4.147 50 0 EIAARN CCN(Cc1cc(Cl)ccc1OC)C(=O)C1(c2ccccc2)CC1 ZINC000055120319 214276512 /nfs/dbraw/zinc/27/65/12/214276512.db2.gz DFGGAKKFOGYUJH-UHFFFAOYSA-N 0 0 343.854 4.429 50 0 EIAARN CC(C)n1cc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cn1 ZINC000055211310 214288460 /nfs/dbraw/zinc/28/84/60/214288460.db2.gz KDZQPHVCUJVELL-UHFFFAOYSA-N 0 0 338.430 4.201 50 0 EIAARN Cc1cccnc1[C@H](C)NC(=O)CSCc1ccccc1Cl ZINC000055228486 214292902 /nfs/dbraw/zinc/29/29/02/214292902.db2.gz UVKUFGOEFSMHFQ-ZDUSSCGKSA-N 0 0 334.872 4.154 50 0 EIAARN CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NCc2ccco2)cc1 ZINC000004690540 210248658 /nfs/dbraw/zinc/24/86/58/210248658.db2.gz XDNDEQMLSPMJAE-HNNXBMFYSA-N 0 0 342.439 4.074 50 0 EIAARN Cc1cc(NC(=O)c2cc(C(C)C)no2)ccc1NC(=O)C(C)(C)C ZINC000055576189 214331991 /nfs/dbraw/zinc/33/19/91/214331991.db2.gz PVZSJEYSDCALOV-UHFFFAOYSA-N 0 0 343.427 4.343 50 0 EIAARN Cc1ccc(C)c(N(C)C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1 ZINC000055895920 214346301 /nfs/dbraw/zinc/34/63/01/214346301.db2.gz RLNRLXZQUPGDEN-YJBOKZPZSA-N 0 0 336.435 4.175 50 0 EIAARN Cc1c(NC(=O)Nc2cccnc2)cccc1NC(=O)c1ccccc1 ZINC000056343149 214371947 /nfs/dbraw/zinc/37/19/47/214371947.db2.gz UAKQISBHWUFKEZ-UHFFFAOYSA-N 0 0 346.390 4.286 50 0 EIAARN O=C(Nc1ccccn1)c1cccnc1SCc1ccc(F)cc1 ZINC000056373955 214372654 /nfs/dbraw/zinc/37/26/54/214372654.db2.gz NIMYGMBLEBNKGO-UHFFFAOYSA-N 0 0 339.395 4.160 50 0 EIAARN CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccc(F)c(F)c1 ZINC000056227797 214365637 /nfs/dbraw/zinc/36/56/37/214365637.db2.gz KHMODCKBWWCGMP-UHFFFAOYSA-N 0 0 347.752 4.081 50 0 EIAARN Cc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)o1 ZINC000056851570 214391882 /nfs/dbraw/zinc/39/18/82/214391882.db2.gz VJFXBWWPRNSGRY-UHFFFAOYSA-N 0 0 331.799 4.288 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=O)NC[C@@H](C)c3ccccc3)ccc12 ZINC000057866488 214458785 /nfs/dbraw/zinc/45/87/85/214458785.db2.gz OLMZNNVPMWKTPO-CQSZACIVSA-N 0 0 336.391 4.027 50 0 EIAARN O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000058012632 214470499 /nfs/dbraw/zinc/47/04/99/214470499.db2.gz VVWBPPNXOCEOKN-GOSISDBHSA-N 0 0 334.891 4.316 50 0 EIAARN O=C(NCc1cccnc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000058054683 214475697 /nfs/dbraw/zinc/47/56/97/214475697.db2.gz PFBDGHDDNRODLJ-IBGZPJMESA-N 0 0 349.459 4.000 50 0 EIAARN COC(=O)c1ccc(OC(C)C)c(NC(=O)Nc2ccc(C)cc2)c1 ZINC000058130013 214479727 /nfs/dbraw/zinc/47/97/27/214479727.db2.gz VZFNTNDCOKVJDK-UHFFFAOYSA-N 0 0 342.395 4.213 50 0 EIAARN CCN(CCC(F)(F)F)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000058177902 214494600 /nfs/dbraw/zinc/49/46/00/214494600.db2.gz XWKZWVBQDDRDIA-UHFFFAOYSA-N 0 0 346.736 4.410 50 0 EIAARN Clc1cccc(-c2nnc3sc(/C=C/c4ccco4)nn32)c1 ZINC000004664975 210241163 /nfs/dbraw/zinc/24/11/63/210241163.db2.gz PRFAIZZTUUAWGJ-VOTSOKGWSA-N 0 0 328.784 4.270 50 0 EIAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1cnc(-c2ccccc2)nc1 ZINC000058161609 214488137 /nfs/dbraw/zinc/48/81/37/214488137.db2.gz UROGCGMHFVLERH-PXNMLYILSA-N 0 0 333.778 4.290 50 0 EIAARN c1ccc(CCCSc2nnc(-c3cccnc3)n2C2CC2)cc1 ZINC000058218683 214509378 /nfs/dbraw/zinc/50/93/78/214509378.db2.gz DZMXTSDAOKJNQT-UHFFFAOYSA-N 0 0 336.464 4.400 50 0 EIAARN Cn1c2ccccc2n2cc(-c3cccc(Br)c3)nc12 ZINC000004663245 210239410 /nfs/dbraw/zinc/23/94/10/210239410.db2.gz XVBYCFUPAHZHIA-UHFFFAOYSA-N 0 0 326.197 4.256 50 0 EIAARN CCOc1ccccc1/C=C1\N=C(/C=C/c2ccccc2OC)OC1=O ZINC000004644622 210237455 /nfs/dbraw/zinc/23/74/55/210237455.db2.gz BGYTXVJMAUFBLB-SQCSQLHISA-N 0 0 349.386 4.104 50 0 EIAARN Cc1ccc(-c2nc(C(=O)N(C)CCC(F)(F)F)cs2)c(C)c1 ZINC000058316656 214544354 /nfs/dbraw/zinc/54/43/54/214544354.db2.gz MQEINPIJEWFCHD-UHFFFAOYSA-N 0 0 342.386 4.451 50 0 EIAARN CCn1ccc2cc(NC(=O)c3c(C)nn(C(C)(C)C)c3C)ccc21 ZINC000063485979 214757056 /nfs/dbraw/zinc/75/70/56/214757056.db2.gz MGAWDQZFFPEMQQ-UHFFFAOYSA-N 0 0 338.455 4.482 50 0 EIAARN COc1ccc(-n2ccc(CNc3nc4ccccc4s3)n2)cc1 ZINC000058355714 214558280 /nfs/dbraw/zinc/55/82/80/214558280.db2.gz PGADVOCZHBNMNX-UHFFFAOYSA-N 0 0 336.420 4.103 50 0 EIAARN CCN(CC)c1nc2sc(C(=O)NC3(C)CCCC3)cc2s1 ZINC000058364285 214562343 /nfs/dbraw/zinc/56/23/43/214562343.db2.gz BBWLJVQYFRLWOD-UHFFFAOYSA-N 0 0 337.514 4.267 50 0 EIAARN Cc1cc(/C=C/C(=O)NCc2nccs2)c(C)n1C1CCCCC1 ZINC000058377725 214566009 /nfs/dbraw/zinc/56/60/09/214566009.db2.gz KUEAFKPASMBFCS-CMDGGOBGSA-N 0 0 343.496 4.396 50 0 EIAARN Cc1ccn2cc(C(=O)Nc3ccc(Nc4ccccc4)nc3)nc2c1 ZINC000058429808 214585680 /nfs/dbraw/zinc/58/56/80/214585680.db2.gz YNTUMFHHRMFLDN-UHFFFAOYSA-N 0 0 343.390 4.034 50 0 EIAARN O=C(NCc1cc2ccccc2[nH]1)Nc1ccc(-c2csnn2)cc1 ZINC000058643369 214599881 /nfs/dbraw/zinc/59/98/81/214599881.db2.gz NOAXJHMEFWIOEG-UHFFFAOYSA-N 0 0 349.419 4.008 50 0 EIAARN O=C(/C=C\c1ccco1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000098053941 219074175 /nfs/dbraw/zinc/07/41/75/219074175.db2.gz RRZMORGYVWZWLY-QXMHVHEDSA-N 0 0 329.359 4.246 50 0 EIAARN Cc1nc(-c2c[nH]c(C(=O)N3CCc4ccc(Cl)cc43)c2)cs1 ZINC000058932575 214610450 /nfs/dbraw/zinc/61/04/50/214610450.db2.gz SYXTWNJAGOTLMD-UHFFFAOYSA-N 0 0 343.839 4.303 50 0 EIAARN CCCCc1ccc(C2=NC(=CNc3ccc(F)cc3)C(=O)O2)cc1 ZINC000004590515 210229374 /nfs/dbraw/zinc/22/93/74/210229374.db2.gz GTEDUHLZBJAVSM-AQTBWJFISA-N 0 0 338.382 4.425 50 0 EIAARN COc1ccc(/C=C/C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)cc1 ZINC000004589495 210227671 /nfs/dbraw/zinc/22/76/71/210227671.db2.gz GRVPSKOJUJSCEC-VXGMZCCXSA-N 0 0 339.778 4.358 50 0 EIAARN O=C1C[C@@H](c2ccc(F)cc2F)c2cnn(Cc3ccccc3)c2N1 ZINC000049547501 214017484 /nfs/dbraw/zinc/01/74/84/214017484.db2.gz SXTZWIHNHOUUFR-HNNXBMFYSA-N 0 0 339.345 4.333 50 0 EIAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)CC(C)(C)C)c1 ZINC000004585372 210227290 /nfs/dbraw/zinc/22/72/90/210227290.db2.gz MVDYPPFLOSCNSE-UHFFFAOYSA-N 0 0 349.434 4.069 50 0 EIAARN O=C1C[C@H](c2cccnc2)c2cnn(Cc3ccccc3Cl)c2N1 ZINC000049548805 214017362 /nfs/dbraw/zinc/01/73/62/214017362.db2.gz FOTAILYGUFGQND-CQSZACIVSA-N 0 0 338.798 4.103 50 0 EIAARN FC(F)(F)c1nc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 ZINC000049545207 214016954 /nfs/dbraw/zinc/01/69/54/214016954.db2.gz UBONHJUPEZYONS-UHFFFAOYSA-N 0 0 340.308 4.477 50 0 EIAARN CCOc1ccc2c(c1)CN(C(=O)c1ccccc1C(F)(F)F)CC2 ZINC000060211668 214630059 /nfs/dbraw/zinc/63/00/59/214630059.db2.gz FVIKBZMRFCKBDM-UHFFFAOYSA-N 0 0 349.352 4.303 50 0 EIAARN O=C1C[C@@H](c2cccnc2)c2cnn(Cc3ccc(Cl)cc3)c2N1 ZINC000049544616 214016528 /nfs/dbraw/zinc/01/65/28/214016528.db2.gz UUCIXQPITXWZBI-HNNXBMFYSA-N 0 0 338.798 4.103 50 0 EIAARN CC(C)n1cc(-c2cc(C(=O)N3CCC[C@H]3C)c3ccccc3n2)cn1 ZINC000063855424 214771404 /nfs/dbraw/zinc/77/14/04/214771404.db2.gz VTRSBXDRLXSNQB-OAHLLOKOSA-N 0 0 348.450 4.304 50 0 EIAARN COc1ccc(C)cc1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000060992662 214652373 /nfs/dbraw/zinc/65/23/73/214652373.db2.gz DCFOJAMDAHSWDI-UHFFFAOYSA-N 0 0 329.787 4.319 50 0 EIAARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004292928 290683509 /nfs/dbraw/zinc/68/35/09/290683509.db2.gz DJPZSBANTAQNFN-SQDPYLFBSA-N 0 0 330.468 4.450 50 0 biogenic,in-vitro EIAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2)N3)C1 ZINC000004545417 210219662 /nfs/dbraw/zinc/21/96/62/210219662.db2.gz ATHVFMNONXMGFT-MGPLVRAMSA-N 0 0 328.437 4.398 50 0 EIAARN Cc1cccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)c1 ZINC000004512604 210209869 /nfs/dbraw/zinc/20/98/69/210209869.db2.gz ZPTHYVUKQXLWGH-UHFFFAOYSA-N 0 0 341.436 4.157 50 0 EIAARN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1 ZINC000004510481 210209084 /nfs/dbraw/zinc/20/90/84/210209084.db2.gz STNUUELXYLFSBC-UHFFFAOYSA-N 0 0 334.400 4.486 50 0 EIAARN O=C(CSc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000004496686 210204006 /nfs/dbraw/zinc/20/40/06/210204006.db2.gz OYHHHZVEIWWONS-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCCc1c[nH]c2ccc(C)cc12 ZINC000004487693 210201754 /nfs/dbraw/zinc/20/17/54/210201754.db2.gz DQMHYDJYVPYCII-UHFFFAOYSA-N 0 0 342.826 4.111 50 0 biogenic EIAARN CCCCCOc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 ZINC000100596320 219102592 /nfs/dbraw/zinc/10/25/92/219102592.db2.gz SCYGGCDCGJZWAB-RTBURBONSA-N 0 0 341.451 4.491 50 0 EIAARN Cn1c(Cl)c(Cl)nc1C(O)(c1ccccc1)c1ccccc1 ZINC000004477031 210196408 /nfs/dbraw/zinc/19/64/08/210196408.db2.gz TWOGVOZCYIQYQP-UHFFFAOYSA-N 0 0 333.218 4.011 50 0 EIAARN CC(C)c1ccc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 ZINC000004469031 210195659 /nfs/dbraw/zinc/19/56/59/210195659.db2.gz FZFOKSDKAPRZND-JOCHJYFZSA-N 0 0 348.446 4.094 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccccc2F)cc1 ZINC000064579944 214794941 /nfs/dbraw/zinc/79/49/41/214794941.db2.gz FVKXMSQTUZZJFF-LJQANCHMSA-N 0 0 327.399 4.131 50 0 EIAARN O=C(NCCc1ccccc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000064580018 214794995 /nfs/dbraw/zinc/79/49/95/214794995.db2.gz QOAOJMBJJCHTJM-GOSISDBHSA-N 0 0 328.843 4.429 50 0 EIAARN CCn1cc(C(=O)Oc2cc(C)ccc2Cl)c2ccccc2c1=O ZINC000064666518 214799095 /nfs/dbraw/zinc/79/90/95/214799095.db2.gz NFRCEGABOJNONQ-UHFFFAOYSA-N 0 0 341.794 4.202 50 0 EIAARN CCc1ccc(-c2cn3ccn(-c4cccc(Cl)c4)c(=O)c3n2)cc1 ZINC000064675465 214800382 /nfs/dbraw/zinc/80/03/82/214800382.db2.gz PKBJPMJLAWMTFO-UHFFFAOYSA-N 0 0 349.821 4.368 50 0 EIAARN Cc1nc(-c2ccccc2)sc1CCNC(=O)c1ccc(C)cc1 ZINC000004392451 210187354 /nfs/dbraw/zinc/18/73/54/210187354.db2.gz ASHMVGLYLHJQKT-UHFFFAOYSA-N 0 0 336.460 4.399 50 0 EIAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000100951436 219112844 /nfs/dbraw/zinc/11/28/44/219112844.db2.gz FKKRMRRHOYICRY-MRXNPFEDSA-N 0 0 340.789 4.435 50 0 EIAARN Cc1ccc(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1 ZINC000004385649 210184616 /nfs/dbraw/zinc/18/46/16/210184616.db2.gz PLEXPZHVMWKVON-UHFFFAOYSA-N 0 0 349.478 4.098 50 0 EIAARN CCN1c2ccc(Br)cc2[C@H](Cc2ccc(C)cc2)C1=O ZINC000101015086 219113627 /nfs/dbraw/zinc/11/36/27/219113627.db2.gz QOHZQWVHXRPVSI-INIZCTEOSA-N 0 0 344.252 4.450 50 0 EIAARN Cc1ccc(Nc2n[nH]nc2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000064871370 214811881 /nfs/dbraw/zinc/81/18/81/214811881.db2.gz BKSRGZKKQKJNCT-UHFFFAOYSA-N 0 0 335.411 4.034 50 0 EIAARN Cc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000101128644 219116976 /nfs/dbraw/zinc/11/69/76/219116976.db2.gz LQSVBCTXPGYEEC-ZDUSSCGKSA-N 0 0 349.217 4.046 50 0 EIAARN CCCCNC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820195 214807468 /nfs/dbraw/zinc/80/74/68/214807468.db2.gz YYMVBXQNIOAHCW-UHFFFAOYSA-N 0 0 343.246 4.004 50 0 EIAARN Cc1nc(-c2ccc(C)cc2)sc1CCNC(=O)c1ccccc1 ZINC000004347012 210177668 /nfs/dbraw/zinc/17/76/68/210177668.db2.gz YYPXOCCRSUFWFN-UHFFFAOYSA-N 0 0 336.460 4.399 50 0 EIAARN Cc1cccc(C[C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC000101260083 219120169 /nfs/dbraw/zinc/12/01/69/219120169.db2.gz TUOLGQSIXKUAJF-CQSZACIVSA-N 0 0 347.336 4.136 50 0 EIAARN COc1ccc(-c2cc([C@](C)(O)CCCC(C)(C)OC)on2)cc1 ZINC000004344252 210175530 /nfs/dbraw/zinc/17/55/30/210175530.db2.gz NQXHWNVRVJRDKU-LJQANCHMSA-N 0 0 333.428 4.153 50 0 EIAARN CCn1ccc(-c2nc(-c3cccc(-c4csc(C)n4)c3)no2)n1 ZINC000065098180 214829024 /nfs/dbraw/zinc/82/90/24/214829024.db2.gz RIQCNIGFCUUGHZ-UHFFFAOYSA-N 0 0 337.408 4.052 50 0 EIAARN Cn1nccc1-c1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 ZINC000065137214 214831103 /nfs/dbraw/zinc/83/11/03/214831103.db2.gz NWJZEBMQIFTWTM-UHFFFAOYSA-N 0 0 336.782 4.458 50 0 EIAARN Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000004322974 210170859 /nfs/dbraw/zinc/17/08/59/210170859.db2.gz PLEHPALDSZESEI-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2cc(C)ccc2C)cc1 ZINC000004322993 210170556 /nfs/dbraw/zinc/17/05/56/210170556.db2.gz VQRRLWWQJFVAIQ-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN Cc1ccc(-c2cc(NC(=O)c3cccc(N(C)C)c3)on2)s1 ZINC000065153319 214834912 /nfs/dbraw/zinc/83/49/12/214834912.db2.gz WLCCMZZXDHENDT-UHFFFAOYSA-N 0 0 327.409 4.030 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccsc3)nc2)cc1 ZINC000065173642 214837783 /nfs/dbraw/zinc/83/77/83/214837783.db2.gz UILUSLSJQSYTBM-UHFFFAOYSA-N 0 0 337.404 4.021 50 0 EIAARN Cc1ccsc1-c1nnc(CC(=O)Nc2cc(Cl)ccc2C)o1 ZINC000065214346 214843754 /nfs/dbraw/zinc/84/37/54/214843754.db2.gz PJWASEQJGNTURW-UHFFFAOYSA-N 0 0 347.827 4.250 50 0 EIAARN O=C(Nc1ccsc1-c1nc(-c2ccccc2)no1)c1ccccn1 ZINC000065218785 214845086 /nfs/dbraw/zinc/84/50/86/214845086.db2.gz NKEBOHDCCJLYRH-UHFFFAOYSA-N 0 0 348.387 4.112 50 0 EIAARN O=C(Nc1ccsc1-c1nnc(C2CC2)o1)c1cccc(F)c1 ZINC000065218666 214845686 /nfs/dbraw/zinc/84/56/86/214845686.db2.gz PZEPZMZLNQLTSG-UHFFFAOYSA-N 0 0 329.356 4.067 50 0 EIAARN Cc1noc(C)c1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000048344247 213926622 /nfs/dbraw/zinc/92/66/22/213926622.db2.gz XIBKNQWCQVERKE-KRWDZBQOSA-N 0 0 332.419 4.267 50 0 EIAARN CC[C@H](c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1)c1ccccc1 ZINC000065259441 214855472 /nfs/dbraw/zinc/85/54/72/214855472.db2.gz XSXZSIJYVMDVFW-WMZOPIPTSA-N 0 0 347.418 4.132 50 0 EIAARN CC[C@H](c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1)c1ccccc1 ZINC000065259439 214855798 /nfs/dbraw/zinc/85/57/98/214855798.db2.gz XSXZSIJYVMDVFW-AEFFLSMTSA-N 0 0 347.418 4.132 50 0 EIAARN Cc1cc(NC(=O)N[C@H](C)c2ccccn2)ccc1Br ZINC000048333978 213924220 /nfs/dbraw/zinc/92/42/20/213924220.db2.gz SRLNQIUAXSUZOV-LLVKDONJSA-N 0 0 334.217 4.035 50 0 EIAARN O=C(Nc1cccc(Oc2cnccn2)c1)c1cc2ccccc2o1 ZINC000048332604 213922354 /nfs/dbraw/zinc/92/23/54/213922354.db2.gz NGZCFKIVACFTMZ-UHFFFAOYSA-N 0 0 331.331 4.267 50 0 EIAARN Cc1ccc([C@H]2CC(=O)n3nc(-c4cccc(C)c4)nc3S2)cc1 ZINC000004268632 210157246 /nfs/dbraw/zinc/15/72/46/210157246.db2.gz VCHNLUMSSDGSGA-MRXNPFEDSA-N 0 0 335.432 4.439 50 0 EIAARN Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2cccs2)S3)c1 ZINC000004268650 210156270 /nfs/dbraw/zinc/15/62/70/210156270.db2.gz AAWCONOXRYSKCP-CYBMUJFWSA-N 0 0 327.434 4.192 50 0 EIAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1nc2ccccc2s1 ZINC000004264230 210155367 /nfs/dbraw/zinc/15/53/67/210155367.db2.gz YACXWXCCQLZIJU-UHFFFAOYSA-N 0 0 347.371 4.437 50 0 EIAARN c1cc(-c2nnc3sc(-c4ccc5ccccc5n4)nn32)cs1 ZINC000065356333 214874135 /nfs/dbraw/zinc/87/41/35/214874135.db2.gz ZYDIFPCGVKMJKT-UHFFFAOYSA-N 0 0 335.417 4.130 50 0 EIAARN O=C(COc1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000004249016 210152760 /nfs/dbraw/zinc/15/27/60/210152760.db2.gz GOSBQWXSVCSNBL-UHFFFAOYSA-N 0 0 349.415 4.080 50 0 EIAARN O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1 ZINC000004248205 210150476 /nfs/dbraw/zinc/15/04/76/210150476.db2.gz WCFSZVBWSXIDEE-OAHLLOKOSA-N 0 0 338.388 4.038 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2ccc(SC(C)C)cc2)c1 ZINC000048181528 213894472 /nfs/dbraw/zinc/89/44/72/213894472.db2.gz XZZUSJYDAZDBDH-UHFFFAOYSA-N 0 0 328.437 4.398 50 0 EIAARN O=C(/C=C/c1cccs1)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000048205934 213895216 /nfs/dbraw/zinc/89/52/16/213895216.db2.gz ZVWZJSJMJQZHIM-CMDGGOBGSA-N 0 0 346.415 4.110 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)[C@H]1CCCc2ccccc21 ZINC000048201777 213894839 /nfs/dbraw/zinc/89/48/39/213894839.db2.gz FADGPLIBQVIEAG-IBGZPJMESA-N 0 0 345.402 4.328 50 0 EIAARN CN1C(=O)CCc2cc(NC(=O)c3cc4ccccc4s3)ccc21 ZINC000171554746 530043553 /nfs/dbraw/zinc/04/35/53/530043553.db2.gz KKOREBZAALYZPS-UHFFFAOYSA-N 0 0 336.416 4.063 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000004225263 210146911 /nfs/dbraw/zinc/14/69/11/210146911.db2.gz UGAKFONVINDLDV-INIZCTEOSA-N 0 0 333.435 4.194 50 0 EIAARN COC(=O)c1sc2ccccc2c1NC(=O)c1c(F)cccc1F ZINC000004176822 210139592 /nfs/dbraw/zinc/13/95/92/210139592.db2.gz SOTIWKIDHNRTQW-UHFFFAOYSA-N 0 0 347.342 4.218 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)ns1)OCc1ccccc1 ZINC000004167310 210137241 /nfs/dbraw/zinc/13/72/41/210137241.db2.gz ZEVTYURZQZETNC-UHFFFAOYSA-N 0 0 342.445 4.041 50 0 EIAARN CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc21)c1cccc(Cl)c1 ZINC000004163812 210137317 /nfs/dbraw/zinc/13/73/17/210137317.db2.gz GJJFYFPDOWXRQP-UHFFFAOYSA-N 0 0 340.810 4.366 50 0 EIAARN O=C(Nc1ncccc1OCc1ccncc1)c1ccc(Cl)s1 ZINC000065491809 214930133 /nfs/dbraw/zinc/93/01/33/214930133.db2.gz NQFMRVZYENBPNC-UHFFFAOYSA-N 0 0 345.811 4.023 50 0 EIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)/C=C/c1cccs1 ZINC000004135317 210129212 /nfs/dbraw/zinc/12/92/12/210129212.db2.gz NKKTWNIXKJCUJA-MDZDMXLPSA-N 0 0 341.388 4.323 50 0 EIAARN CN(Cc1ccccn1)C(=O)COc1ccc2oc3ccccc3c2c1 ZINC000065530045 214947344 /nfs/dbraw/zinc/94/73/44/214947344.db2.gz SXWBFGQMFWXBRW-UHFFFAOYSA-N 0 0 346.386 4.018 50 0 EIAARN CCOc1ccc(NC(=O)[C@@H](CC)c2c(C)noc2C)cc1OCC ZINC000065585385 214967235 /nfs/dbraw/zinc/96/72/35/214967235.db2.gz LWNAWIDRIGAMRX-HNNXBMFYSA-N 0 0 346.427 4.221 50 0 EIAARN O=C(C1CCCC1)N1CCN=C1SCc1c(F)cccc1Cl ZINC000004120138 210125365 /nfs/dbraw/zinc/12/53/65/210125365.db2.gz ODOFJOXKYSNZNY-UHFFFAOYSA-N 0 0 340.851 4.101 50 0 EIAARN O=C(O[C@H]1c2ccccc2C(=O)N1Cc1cccs1)c1ccccc1 ZINC000004108828 210122238 /nfs/dbraw/zinc/12/22/38/210122238.db2.gz KLIQUGFAHATDBM-IBGZPJMESA-N 0 0 349.411 4.260 50 0 EIAARN Cc1cccc(NC(=O)CSc2ncnc3c4ccccc4oc32)c1 ZINC000004106790 210120729 /nfs/dbraw/zinc/12/07/29/210120729.db2.gz BVYKEWNTVXGSHF-UHFFFAOYSA-N 0 0 349.415 4.415 50 0 EIAARN COc1cc(-c2nc3c(C)[nH]n(C(C)C)c-3n2)c(OC)cc1SC ZINC000101767347 219162835 /nfs/dbraw/zinc/16/28/35/219162835.db2.gz HBCIIBCUHGFFHM-UHFFFAOYSA-N 0 0 346.456 4.055 50 0 EIAARN Cc1ccc([C@@]2(CC(=O)NCC(C)C)CCO[C@H](C(C)C)C2)cc1 ZINC000004087935 210115973 /nfs/dbraw/zinc/11/59/73/210115973.db2.gz QIAVYIRNOGKASV-FPOVZHCZSA-N 0 0 331.500 4.230 50 0 biogenic EIAARN Cc1cccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c1C ZINC000004088807 210117338 /nfs/dbraw/zinc/11/73/38/210117338.db2.gz XYAZJAILYVPIBM-UHFFFAOYSA-N 0 0 329.469 4.221 50 0 EIAARN CCn1cc(SCC(=O)NCc2ccc(F)cc2)c2ccccc21 ZINC000004060552 210109891 /nfs/dbraw/zinc/10/98/91/210109891.db2.gz RTQVJTBGIBBYRE-UHFFFAOYSA-N 0 0 342.439 4.209 50 0 EIAARN Cc1ccc(CN2c3cc(C(F)(F)F)ccc3NCCC2=O)cc1 ZINC000004054193 210108911 /nfs/dbraw/zinc/10/89/11/210108911.db2.gz LAUWGUOLHYGHHW-UHFFFAOYSA-N 0 0 334.341 4.363 50 0 EIAARN CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000046078175 213779379 /nfs/dbraw/zinc/77/93/79/213779379.db2.gz OGDMLMOIDGFKJM-GOSISDBHSA-N 0 0 341.846 4.361 50 0 EIAARN CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@H]2C ZINC000004025697 210103558 /nfs/dbraw/zinc/10/35/58/210103558.db2.gz KPUIORAMYKZOGW-CGENQQAYSA-N 0 0 329.440 4.489 50 0 biogenic EIAARN CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@H]3[C@@H]2C ZINC000004029255 210102838 /nfs/dbraw/zinc/10/28/38/210102838.db2.gz OPDBPJWZYLLHKS-KQICIXRFSA-N 0 0 344.451 4.141 50 0 biogenic EIAARN FC(F)(F)c1cc(Cl)c2nc(-c3ccc4c(c3)OCO4)cn2c1 ZINC000004025189 210101912 /nfs/dbraw/zinc/10/19/12/210101912.db2.gz YTSHJTSRZAUFTQ-UHFFFAOYSA-N 0 0 340.688 4.402 50 0 EIAARN CNc1nc2c(s1)[C@@H](c1c(C)sc3ccccc31)CC(=O)N2 ZINC000066091356 215009353 /nfs/dbraw/zinc/00/93/53/215009353.db2.gz QPTVNJLMIDBPAL-SNVBAGLBSA-N 0 0 329.450 4.182 50 0 EIAARN O=C(NC1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000003907717 210091383 /nfs/dbraw/zinc/09/13/83/210091383.db2.gz TWOPKXWWFFBLLF-UHFFFAOYSA-N 0 0 349.228 4.167 50 0 EIAARN O=C(COc1ccc(Cl)cc1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000003905355 210089634 /nfs/dbraw/zinc/08/96/34/210089634.db2.gz XJHVJTZOTSDEFA-UHFFFAOYSA-N 0 0 347.886 4.442 50 0 EIAARN CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccc1F ZINC000003895845 210086000 /nfs/dbraw/zinc/08/60/00/210086000.db2.gz MAXUPAXXRFAVFA-JMLCCBQJSA-N 0 0 348.462 4.121 50 0 EIAARN O[C@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@@H]1CCc1ccccc1 ZINC000003884156 210083342 /nfs/dbraw/zinc/08/33/42/210083342.db2.gz BBKPDCPIJZWWPW-IEBWSBKVSA-N 0 0 347.380 4.204 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000003621435 210067697 /nfs/dbraw/zinc/06/76/97/210067697.db2.gz RBEAHCDWAWVWKO-UHFFFAOYSA-N 0 0 337.404 4.021 50 0 EIAARN COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000003606815 210064542 /nfs/dbraw/zinc/06/45/42/210064542.db2.gz HTWFQCBCJQDYSA-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN C[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003583637 210059090 /nfs/dbraw/zinc/05/90/90/210059090.db2.gz NIANVIXCUXVZMJ-SECBINFHSA-N 0 0 335.662 4.460 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Cl)cc2Cl)c1C ZINC000003587623 210059115 /nfs/dbraw/zinc/05/91/15/210059115.db2.gz SCPSXBIJRNPIPY-UHFFFAOYSA-N 0 0 340.206 4.403 50 0 EIAARN Cc1nc(-c2ccccc2)sc1CNC(=O)Cc1cccs1 ZINC000066554058 215052823 /nfs/dbraw/zinc/05/28/23/215052823.db2.gz WYHSXKMIHUJDPN-UHFFFAOYSA-N 0 0 328.462 4.039 50 0 EIAARN O=C(COc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000003554624 210053555 /nfs/dbraw/zinc/05/35/55/210053555.db2.gz FWPJRGUZRUSPTB-UHFFFAOYSA-N 0 0 346.358 4.106 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC000003548562 210051508 /nfs/dbraw/zinc/05/15/08/210051508.db2.gz HUMCEFFJOPVHNJ-UHFFFAOYSA-N 0 0 349.434 4.101 50 0 EIAARN Cc1ccc(C)c(CSc2nnc(-c3cccc(Cl)c3)n2N)c1 ZINC000003545798 210051484 /nfs/dbraw/zinc/05/14/84/210051484.db2.gz GSSCNHVWEWXPHE-UHFFFAOYSA-N 0 0 344.871 4.221 50 0 EIAARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000102558274 219210544 /nfs/dbraw/zinc/21/05/44/219210544.db2.gz JFNNVHXBXRIYSL-UGSOOPFHSA-N 0 0 348.431 4.405 50 0 EIAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCc2ccccc21 ZINC000003544522 210050061 /nfs/dbraw/zinc/05/00/61/210050061.db2.gz NUSDFPBLCXDVSH-GFCCVEGCSA-N 0 0 340.473 4.366 50 0 EIAARN O=C1CCC[C@@H]1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003561084 210055058 /nfs/dbraw/zinc/05/50/58/210055058.db2.gz XZCFGYQYIMMMOB-KRWDZBQOSA-N 0 0 347.443 4.419 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000003555990 210054943 /nfs/dbraw/zinc/05/49/43/210054943.db2.gz IMTRJBOHNXZBRQ-UHFFFAOYSA-N 0 0 337.297 4.053 50 0 EIAARN CCSc1nc2n(n1)[C@H](c1cccc(F)c1)C1C(=O)CCCC1=N2 ZINC000102544296 219208822 /nfs/dbraw/zinc/20/88/22/219208822.db2.gz WBPXHPJYPAAUDP-OAHLLOKOSA-N 0 0 344.415 4.201 50 0 EIAARN Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1 ZINC000102606896 219214026 /nfs/dbraw/zinc/21/40/26/219214026.db2.gz QXINESDBWLTSFM-CWFSZBLJSA-N 0 0 347.414 4.489 50 0 EIAARN CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102610996 219214158 /nfs/dbraw/zinc/21/41/58/219214158.db2.gz IRILMNHERAXBJL-ZDUSSCGKSA-N 0 0 346.481 4.369 50 0 EIAARN Cc1ccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c(C)c1 ZINC000102602055 219213209 /nfs/dbraw/zinc/21/32/09/219213209.db2.gz JFWAHTOTLIRFHK-FHWLQOOXSA-N 0 0 333.431 4.377 50 0 EIAARN CC(C)(C)c1ccc(COC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000003448658 210042882 /nfs/dbraw/zinc/04/28/82/210042882.db2.gz HPOWGXXGSFTTRJ-UHFFFAOYSA-N 0 0 336.387 4.448 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)COc1ccc2ccccc2c1 ZINC000003435428 210039250 /nfs/dbraw/zinc/03/92/50/210039250.db2.gz OSYYHBPDEIKXHW-OAHLLOKOSA-N 0 0 335.403 4.105 50 0 EIAARN O=C(CC1CCCCC1)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000066803613 215080431 /nfs/dbraw/zinc/08/04/31/215080431.db2.gz ZKDJXDAFELVCGM-UHFFFAOYSA-N 0 0 338.455 4.190 50 0 EIAARN Cc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000102662907 219220246 /nfs/dbraw/zinc/22/02/46/219220246.db2.gz XQGMEKZBGZRBBF-AUUYWEPGSA-N 0 0 346.390 4.245 50 0 EIAARN Fc1cc(Br)ccc1Oc1nccc(C(F)(F)F)n1 ZINC000044676249 213640675 /nfs/dbraw/zinc/64/06/75/213640675.db2.gz LSPFXLHFCNMJIM-UHFFFAOYSA-N 0 0 337.070 4.189 50 0 EIAARN CSc1nc2n(n1)[C@H](c1sccc1C)C1C(=O)CCCC1=N2 ZINC000102672944 219221641 /nfs/dbraw/zinc/22/16/41/219221641.db2.gz YLTOUEVCIROYIA-LBPRGKRZSA-N 0 0 332.454 4.041 50 0 EIAARN CC(C)c1ccc(CN(C)S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000003411304 210031654 /nfs/dbraw/zinc/03/16/54/210031654.db2.gz KFUCKHPORLHHHZ-BUHFOSPRSA-N 0 0 329.465 4.243 50 0 EIAARN Cc1cc(C(=O)COc2cccc3c2OC(C)(C)C3)c(C)n1C1CC1 ZINC000003398283 210028804 /nfs/dbraw/zinc/02/88/04/210028804.db2.gz ZCWUZPCMRIOHIP-UHFFFAOYSA-N 0 0 339.435 4.415 50 0 EIAARN COc1cc(OC)cc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1 ZINC000003398805 210028619 /nfs/dbraw/zinc/02/86/19/210028619.db2.gz FYLSUTZJTOCDFY-UHFFFAOYSA-N 0 0 327.424 4.099 50 0 EIAARN CCOc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003403038 210028068 /nfs/dbraw/zinc/02/80/68/210028068.db2.gz JQZRXTOWQTWDJF-UHFFFAOYSA-N 0 0 325.286 4.236 50 0 EIAARN Cc1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)s1 ZINC000003389081 210024870 /nfs/dbraw/zinc/02/48/70/210024870.db2.gz SGOGOTNOZFLKCH-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN COc1ccc(CN(C)CC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000003386553 210025784 /nfs/dbraw/zinc/02/57/84/210025784.db2.gz KPSIIPRVOGGYOY-UHFFFAOYSA-N 0 0 340.467 4.198 50 0 EIAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1OC ZINC000102726961 219225114 /nfs/dbraw/zinc/22/51/14/219225114.db2.gz FYDRMRYXWMIXSK-KRWDZBQOSA-N 0 0 340.379 4.214 50 0 EIAARN O=C(/C=C/c1ccccc1)OCC(=O)Nc1ccc2ccccc2c1 ZINC000003390994 210025329 /nfs/dbraw/zinc/02/53/29/210025329.db2.gz HURUIWCWELWBTH-JLHYYAGUSA-N 0 0 331.371 4.035 50 0 EIAARN CCOc1ccc(OCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000003359782 210017800 /nfs/dbraw/zinc/01/78/00/210017800.db2.gz HGEFOCGKJRCPFN-HXUWFJFHSA-N 0 0 339.435 4.048 50 0 EIAARN CC(C)C(=O)Nc1cccc(C(=O)OCc2ccc(Cl)cc2)c1 ZINC000003345631 210014895 /nfs/dbraw/zinc/01/48/95/210014895.db2.gz KIXDHJUWOJJZEJ-UHFFFAOYSA-N 0 0 331.799 4.292 50 0 EIAARN COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000003345916 210014262 /nfs/dbraw/zinc/01/42/62/210014262.db2.gz MIHQZDNVDNBWBO-HNNXBMFYSA-N 0 0 341.451 4.393 50 0 EIAARN O=C(C=Cc1ccc(Cl)cc1Cl)OCC(=O)c1ccccc1 ZINC000003327689 210008476 /nfs/dbraw/zinc/00/84/76/210008476.db2.gz DCMYTQHQRNJWQV-VQHVLOKHSA-N 0 0 335.186 4.433 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCCCCCC1 ZINC000003327527 210008534 /nfs/dbraw/zinc/00/85/34/210008534.db2.gz GALWRINZOMWXGJ-UHFFFAOYSA-N 0 0 325.456 4.332 50 0 EIAARN CSc1ncccc1C(=O)OCc1ccc(Cl)c(Cl)c1 ZINC000003340082 210012113 /nfs/dbraw/zinc/01/21/13/210012113.db2.gz GJKPKNIZIJOOGA-UHFFFAOYSA-N 0 0 328.220 4.467 50 0 EIAARN COc1cccc(CSc2nnc(C3CC3)n2-c2ccccc2)c1 ZINC000003331130 210009780 /nfs/dbraw/zinc/00/97/80/210009780.db2.gz NBQCIBUBKQWKGV-UHFFFAOYSA-N 0 0 337.448 4.446 50 0 EIAARN Cc1ccc(C)c(C(=O)COC(=O)C=Cc2ccc(Cl)cc2)c1 ZINC000003329880 210009811 /nfs/dbraw/zinc/00/98/11/210009811.db2.gz WIQGIVGEOWBBIA-JXMROGBWSA-N 0 0 328.795 4.396 50 0 EIAARN O=C(COC(=O)CCC1CCCC1)Nc1cccc2ccccc21 ZINC000003318569 210005541 /nfs/dbraw/zinc/00/55/41/210005541.db2.gz GSOXVFCVNXWVHD-UHFFFAOYSA-N 0 0 325.408 4.292 50 0 EIAARN CCCCc1ccc(NC(=O)COc2ccccc2NC(C)=O)cc1 ZINC000003303042 210002209 /nfs/dbraw/zinc/00/22/09/210002209.db2.gz UNTWWQGAIHQDGJ-UHFFFAOYSA-N 0 0 340.423 4.005 50 0 EIAARN CC(C)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 ZINC000067319238 215132965 /nfs/dbraw/zinc/13/29/65/215132965.db2.gz LGNVQSJCRHBUSR-SFHVURJKSA-N 0 0 331.843 4.102 50 0 EIAARN S=C(NCc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000003282783 209995990 /nfs/dbraw/zinc/99/59/90/209995990.db2.gz JDUDGNZJDVGISI-UHFFFAOYSA-N 0 0 325.264 4.158 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000003282338 209995911 /nfs/dbraw/zinc/99/59/11/209995911.db2.gz MTCYGIFSUHSZQV-UHFFFAOYSA-N 0 0 336.844 4.182 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3ccccc3o2)c1 ZINC000067339318 215135090 /nfs/dbraw/zinc/13/50/90/215135090.db2.gz UIDHCWPYKXHDRA-ZHACJKMWSA-N 0 0 335.359 4.261 50 0 EIAARN O=C(c1cscn1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000102981007 219245979 /nfs/dbraw/zinc/24/59/79/219245979.db2.gz WBBUZYOYFYSZHD-CQSZACIVSA-N 0 0 332.475 4.054 50 0 EIAARN COc1ccc(OC)c(Nc2nc(C)nc3sc4c(c32)CCC4)c1 ZINC000003251658 209989359 /nfs/dbraw/zinc/98/93/59/209989359.db2.gz QQGLFALVVUBWQD-UHFFFAOYSA-N 0 0 341.436 4.249 50 0 EIAARN Cc1ccc(NC(=O)N(C)Cc2ccc(Br)o2)c(C)c1 ZINC000043142701 213564031 /nfs/dbraw/zinc/56/40/31/213564031.db2.gz FYSOILIFPJTEAW-UHFFFAOYSA-N 0 0 337.217 4.323 50 0 EIAARN CCOC(=O)c1csc(NC(=O)C2CCC(C(C)(C)C)CC2)n1 ZINC000003227781 209982574 /nfs/dbraw/zinc/98/25/74/209982574.db2.gz GAPHXTGBJOFYPP-UHFFFAOYSA-N 0 0 338.473 4.111 50 0 EIAARN CCc1nc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2nc1CC ZINC000003033905 209955296 /nfs/dbraw/zinc/95/52/96/209955296.db2.gz LIDFDDYZYWYRSE-SUMWQHHRSA-N 0 0 325.456 4.063 50 0 EIAARN COc1cc(C=O)ccc1OCCCCOc1cccc(Cl)c1 ZINC000002991415 209951728 /nfs/dbraw/zinc/95/17/28/209951728.db2.gz YAEQYTMBBVZFDE-UHFFFAOYSA-N 0 0 334.799 4.399 50 0 EIAARN Cc1cc(C)cc(C(=O)NCc2cccnc2Oc2ccc(C)nc2)c1 ZINC000067769598 215208129 /nfs/dbraw/zinc/20/81/29/215208129.db2.gz PZQUDZRARHFHAH-UHFFFAOYSA-N 0 0 347.418 4.124 50 0 EIAARN Cc1cnn([C@H](C)C2CC2)c1NC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000067817474 215219682 /nfs/dbraw/zinc/21/96/82/215219682.db2.gz WGTNHDDYJZWYPD-CQSZACIVSA-N 0 0 336.439 4.133 50 0 EIAARN Cc1ccc(Oc2ncccc2CNc2cc(C(C)C)ncn2)cn1 ZINC000067819930 215222283 /nfs/dbraw/zinc/22/22/83/215222283.db2.gz KGPLVECJDXIAPR-UHFFFAOYSA-N 0 0 335.411 4.103 50 0 EIAARN Cc1sc2ncn(CCCOc3ccc(Cl)cc3)c(=O)c2c1C ZINC000002889557 209938284 /nfs/dbraw/zinc/93/82/84/209938284.db2.gz PLIFPMBAAXFVGT-UHFFFAOYSA-N 0 0 348.855 4.197 50 0 EIAARN CC(=O)Nc1ccc(-c2nccn2CCc2c[nH]c3ccccc23)cc1 ZINC000067834004 215224697 /nfs/dbraw/zinc/22/46/97/215224697.db2.gz DFGCVSYWAHLCMV-UHFFFAOYSA-N 0 0 344.418 4.233 50 0 EIAARN CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCCC1 ZINC000002882027 209936787 /nfs/dbraw/zinc/93/67/87/209936787.db2.gz DNPSYFYFDRXYQO-UHFFFAOYSA-N 0 0 345.892 4.048 50 0 EIAARN COc1ccc(-c2cc3nc(C)cc(-c4ccc(OC)cc4)n3n2)cc1 ZINC000002870610 209932067 /nfs/dbraw/zinc/93/20/67/209932067.db2.gz CJHXUCDYFYHAIN-UHFFFAOYSA-N 0 0 345.402 4.389 50 0 EIAARN COc1ccc(Oc2cc(Cl)c(CN3CCCC3)c(OC)c2)cn1 ZINC000067880627 215239087 /nfs/dbraw/zinc/23/90/87/215239087.db2.gz NLOWUBKCWGZAKA-UHFFFAOYSA-N 0 0 348.830 4.140 50 0 EIAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccoc1)CCO2 ZINC000067909922 215248403 /nfs/dbraw/zinc/24/84/03/215248403.db2.gz CDFYPURJJOWUQQ-UHFFFAOYSA-N 0 0 335.403 4.355 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000067945251 215255047 /nfs/dbraw/zinc/25/50/47/215255047.db2.gz HAOFFIMVXGKEHK-HUUCEWRRSA-N 0 0 328.799 4.041 50 0 EIAARN O=C(Nc1cccc(Cl)c1)C(O)(c1ccccc1)c1ccccc1 ZINC000002800864 209917753 /nfs/dbraw/zinc/91/77/53/209917753.db2.gz UFGDAXFWMPHYKG-UHFFFAOYSA-N 0 0 337.806 4.215 50 0 EIAARN Cc1ccc(NC(=O)c2ccn(COc3cc(C)ccc3C)n2)c(C)c1 ZINC000002800232 209916060 /nfs/dbraw/zinc/91/60/60/209916060.db2.gz SBWRJBQCCSJHJU-UHFFFAOYSA-N 0 0 349.434 4.406 50 0 EIAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000002796369 209916114 /nfs/dbraw/zinc/91/61/14/209916114.db2.gz SBLXYFVOVPGIEC-LBPRGKRZSA-N 0 0 339.361 4.102 50 0 EIAARN CC(C)c1ccc(NC(=O)c2ccn(COc3ccccc3)n2)cc1 ZINC000002797759 209915816 /nfs/dbraw/zinc/91/58/16/209915816.db2.gz POMODTCITJUIMI-UHFFFAOYSA-N 0 0 335.407 4.295 50 0 EIAARN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000068002928 215269372 /nfs/dbraw/zinc/26/93/72/215269372.db2.gz NWZSEYAVYXXUBK-ZDUSSCGKSA-N 0 0 345.855 4.266 50 0 EIAARN O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H]1c1ccc[nH]1 ZINC000068103019 215277117 /nfs/dbraw/zinc/27/71/17/215277117.db2.gz WLYUBUWOSQPDQG-QGZVFWFLSA-N 0 0 327.815 4.056 50 0 EIAARN O=C(c1cnn(-c2ccccc2)c1)N1CCCSc2ccccc21 ZINC000068259430 215294738 /nfs/dbraw/zinc/29/47/38/215294738.db2.gz PJGYBWCHSCNFOS-UHFFFAOYSA-N 0 0 335.432 4.015 50 0 EIAARN C[C@H](Sc1ccnc2ccccc21)c1nc2ccccc2c(=O)[nH]1 ZINC000068274589 215295203 /nfs/dbraw/zinc/29/52/03/215295203.db2.gz PGJMNHDFUHLAGY-LBPRGKRZSA-N 0 0 333.416 4.325 50 0 EIAARN CC(C)C(=O)Nc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000002729944 209897819 /nfs/dbraw/zinc/89/78/19/209897819.db2.gz HYTDGYWIEZQVPH-MRXNPFEDSA-N 0 0 338.451 4.032 50 0 EIAARN COc1ccc2oc(C)c(C(=O)NCc3ccccc3Cl)c2c1 ZINC000041156386 213427381 /nfs/dbraw/zinc/42/73/81/213427381.db2.gz HHSPUNILTFCNNV-UHFFFAOYSA-N 0 0 329.783 4.333 50 0 EIAARN CCn1c(SCC(=O)c2ccccc2F)nnc1-c1cccs1 ZINC000002629137 209877037 /nfs/dbraw/zinc/87/70/37/209877037.db2.gz XQXQQBBSUDKXOO-UHFFFAOYSA-N 0 0 347.440 4.141 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3nc(C)sc3c2)c1C ZINC000002628323 209876951 /nfs/dbraw/zinc/87/69/51/209876951.db2.gz KOOFUGAZYZCPDE-UHFFFAOYSA-N 0 0 327.409 4.005 50 0 EIAARN CCOc1ccc(/C=C/C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000002576752 209870129 /nfs/dbraw/zinc/87/01/29/209870129.db2.gz AWEXUBOOHJBJNH-KPKJPENVSA-N 0 0 329.827 4.111 50 0 EIAARN Cn1nc(C(F)(F)F)c(C=O)c1Oc1cccc(C(F)(F)F)c1 ZINC000002561392 209869340 /nfs/dbraw/zinc/86/93/40/209869340.db2.gz LVCVIYROIVOGBN-UHFFFAOYSA-N 0 0 338.207 4.063 50 0 EIAARN CCOC(=O)CCCCCC(=O)c1ccc(Br)cc1 ZINC000002567577 209868375 /nfs/dbraw/zinc/86/83/75/209868375.db2.gz DDKXIHMPQREOJS-UHFFFAOYSA-N 0 0 327.218 4.145 50 0 EIAARN Cc1ccc2c(c1)C(=O)C(=O)N2CCOc1cc(C)ccc1C(C)C ZINC000002493159 209857772 /nfs/dbraw/zinc/85/77/72/209857772.db2.gz NTGIFHALNIQUIM-UHFFFAOYSA-N 0 0 337.419 4.035 50 0 EIAARN Fc1ccc(-c2cc(C(F)(F)F)nc(-n3cc(Cl)cn3)n2)cc1 ZINC000002466101 209852824 /nfs/dbraw/zinc/85/28/24/209852824.db2.gz HHMHKWFHWAPSRV-UHFFFAOYSA-N 0 0 342.683 4.141 50 0 EIAARN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000041096658 213416284 /nfs/dbraw/zinc/41/62/84/213416284.db2.gz OFNGHQXIAQBOCU-HNNXBMFYSA-N 0 0 339.501 4.080 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=O)CCn2c3ccccc3oc2=S)[C@H]1C ZINC000104178106 219355795 /nfs/dbraw/zinc/35/57/95/219355795.db2.gz PMBRAFYKURLEHX-RDBSUJKOSA-N 0 0 332.469 4.295 50 0 biogenic EIAARN C[C@@H]1CCC[C@@H](NC(=O)CCn2c3ccccc3oc2=S)[C@H]1C ZINC000104178102 219355835 /nfs/dbraw/zinc/35/58/35/219355835.db2.gz PMBRAFYKURLEHX-HZSPNIEDSA-N 0 0 332.469 4.295 50 0 biogenic EIAARN O=C(CCc1ccccn1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000068732286 215330474 /nfs/dbraw/zinc/33/04/74/215330474.db2.gz ABXBEZHMMFSXLM-QFIPXVFZSA-N 0 0 342.442 4.189 50 0 EIAARN O=C(CSc1ccc(Br)cc1)Nc1ccc(F)cc1 ZINC000002143937 209823319 /nfs/dbraw/zinc/82/33/19/209823319.db2.gz ULZWBVOFOMSDCQ-UHFFFAOYSA-N 0 0 340.217 4.319 50 0 EIAARN CCn1c(C(=O)Nc2c(C)nn(C(C)C)c2C)cc2sccc21 ZINC000040786557 213386784 /nfs/dbraw/zinc/38/67/84/213386784.db2.gz DIMPKVGJABVSJP-UHFFFAOYSA-N 0 0 330.457 4.369 50 0 EIAARN CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000040714423 213373578 /nfs/dbraw/zinc/37/35/78/213373578.db2.gz RZJJDQNYCRCVCK-ZEERGYAVSA-N 0 0 339.439 4.003 50 0 EIAARN CCCCc1nc(C)c(C(=O)Nc2cnc(C(C)(C)C)nc2)s1 ZINC000069444119 215420119 /nfs/dbraw/zinc/42/01/19/215420119.db2.gz HMRURNAMZQBWEF-UHFFFAOYSA-N 0 0 332.473 4.134 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)ccc1F ZINC000040478282 213314338 /nfs/dbraw/zinc/31/43/38/213314338.db2.gz PDDZTBCXQSQOCH-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000040478267 213313764 /nfs/dbraw/zinc/31/37/64/213313764.db2.gz WRKJFYBPHXOARR-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN CCCCOc1ccccc1NC(=O)COc1ccc(C)cc1C ZINC000001777475 209792549 /nfs/dbraw/zinc/79/25/49/209792549.db2.gz QMWKRCOTWVGENL-UHFFFAOYSA-N 0 0 327.424 4.500 50 0 EIAARN CCCCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000001770731 209791701 /nfs/dbraw/zinc/79/17/01/209791701.db2.gz PSJKMCUGGQIKIS-UHFFFAOYSA-N 0 0 325.408 4.215 50 0 EIAARN COc1ccc2cc(C(=O)c3ccc(Br)cc3)oc2c1 ZINC000040433172 213303828 /nfs/dbraw/zinc/30/38/28/213303828.db2.gz SHJQKMHWXSRRQP-UHFFFAOYSA-N 0 0 331.165 4.435 50 0 EIAARN CCCCOC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 ZINC000001770690 209791067 /nfs/dbraw/zinc/79/10/67/209791067.db2.gz QVBMJMVZBSVZKQ-JTQLQIEISA-N 0 0 325.430 4.008 50 0 EIAARN COc1ccccc1-c1c[nH]cc1C(=O)N[C@H](C)Cc1ccsc1 ZINC000069489103 215440555 /nfs/dbraw/zinc/44/05/55/215440555.db2.gz AFISSJGENBYTPT-CYBMUJFWSA-N 0 0 340.448 4.113 50 0 EIAARN O=C1C[C@@H](c2cccs2)c2ncn(-c3cc(F)cc(F)c3)c2N1 ZINC000040283146 213287107 /nfs/dbraw/zinc/28/71/07/213287107.db2.gz OQEIHFVKDPYIJU-LBPRGKRZSA-N 0 0 331.347 4.336 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2)c2ncn(-c3cc(F)ccc3F)c2N1 ZINC000040267929 213285572 /nfs/dbraw/zinc/28/55/72/213285572.db2.gz VFWBSZPRWYBQGN-CYBMUJFWSA-N 0 0 343.308 4.413 50 0 EIAARN COc1ccc2cc(CNC(=O)N([C@H](C)C3CC3)C3CC3)ccc2c1 ZINC000040150051 213273533 /nfs/dbraw/zinc/27/35/33/213273533.db2.gz WSFLLPNTAYDIQT-CQSZACIVSA-N 0 0 338.451 4.321 50 0 EIAARN Cc1ccc(CC(=O)Nc2ccc(C)cc2-c2n[nH]c(C3CC3)n2)cc1 ZINC000040150966 213273213 /nfs/dbraw/zinc/27/32/13/213273213.db2.gz RIJKTQGYIBREJI-UHFFFAOYSA-N 0 0 346.434 4.147 50 0 EIAARN CC1=NN(c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)CC1 ZINC000040142216 213272419 /nfs/dbraw/zinc/27/24/19/213272419.db2.gz NYAVASYEUMYARC-SFHVURJKSA-N 0 0 339.464 4.311 50 0 EIAARN CCCOc1cccc(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)c1 ZINC000040156149 213274829 /nfs/dbraw/zinc/27/48/29/213274829.db2.gz BHBSUHGKIVXNNG-UHFFFAOYSA-N 0 0 334.366 4.072 50 0 EIAARN Cc1cc(C(=O)N2CCCCc3ccccc32)c2cnn(C(C)C)c2n1 ZINC000040133908 213270127 /nfs/dbraw/zinc/27/01/27/213270127.db2.gz ARQLNWDZUDOQOG-UHFFFAOYSA-N 0 0 348.450 4.304 50 0 EIAARN CC(C)C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 ZINC000040133899 213269712 /nfs/dbraw/zinc/26/97/12/213269712.db2.gz HAPXQZYENHLOII-UHFFFAOYSA-N 0 0 336.435 4.264 50 0 EIAARN CC(C)OCc1ccc(CNC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000040122260 213269792 /nfs/dbraw/zinc/26/97/92/213269792.db2.gz QBUUZXMKZVUMDS-QGZVFWFLSA-N 0 0 325.452 4.422 50 0 EIAARN COc1ccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000040135194 213270691 /nfs/dbraw/zinc/27/06/91/213270691.db2.gz IBUHDBBZTBXPBQ-UHFFFAOYSA-N 0 0 325.383 4.154 50 0 EIAARN CN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000040138989 213270699 /nfs/dbraw/zinc/27/06/99/213270699.db2.gz ZDVFUOCRIQSWOQ-CYBMUJFWSA-N 0 0 336.844 4.067 50 0 EIAARN O=C(Nc1ncc(Cc2ccc(F)c(F)c2F)s1)C1CCCC1 ZINC000040110696 213266984 /nfs/dbraw/zinc/26/69/84/213266984.db2.gz CCEJECOARLQSAM-UHFFFAOYSA-N 0 0 340.370 4.280 50 0 EIAARN COc1cccc2cc([C@H](C)NC(=O)N[C@H](C)c3nccs3)oc21 ZINC000069566283 215476247 /nfs/dbraw/zinc/47/62/47/215476247.db2.gz YFWIKZKAOQHTQT-WDEREUQCSA-N 0 0 345.424 4.019 50 0 EIAARN COc1cccc2cc([C@H](C)NC(=O)N[C@@H](C)c3nccs3)oc21 ZINC000069566276 215476253 /nfs/dbraw/zinc/47/62/53/215476253.db2.gz YFWIKZKAOQHTQT-QWRGUYRKSA-N 0 0 345.424 4.019 50 0 EIAARN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1F ZINC000040107077 213265962 /nfs/dbraw/zinc/26/59/62/213265962.db2.gz FKUKNFFUXSXSJR-UHFFFAOYSA-N 0 0 326.302 4.404 50 0 EIAARN C[C@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1OC(F)F ZINC000040115186 213267787 /nfs/dbraw/zinc/26/77/87/213267787.db2.gz ZVSJIADPUBYQIX-NSHDSACASA-N 0 0 341.304 4.257 50 0 EIAARN CCCCC[C@@H](C)NC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000040104408 213265001 /nfs/dbraw/zinc/26/50/01/213265001.db2.gz JSKFWSAAQWTWKX-LLVKDONJSA-N 0 0 325.840 4.389 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000040103643 213264824 /nfs/dbraw/zinc/26/48/24/213264824.db2.gz GACVPMNHIRNLIV-GHMZBOCLSA-N 0 0 325.250 4.267 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Br)cc2F)o1 ZINC000040097439 213263679 /nfs/dbraw/zinc/26/36/79/213263679.db2.gz REFNBSJVMINCPN-SECBINFHSA-N 0 0 341.180 4.372 50 0 EIAARN CC(C)(C)c1nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2o1 ZINC000040081625 213259190 /nfs/dbraw/zinc/25/91/90/213259190.db2.gz PRPIDICEERFESX-UHFFFAOYSA-N 0 0 338.363 4.106 50 0 EIAARN CN(Cc1cccs1)c1nn2cc(-c3ccccc3)nc2s1 ZINC000040058879 213255767 /nfs/dbraw/zinc/25/57/67/213255767.db2.gz MQLXARYJUJKJDC-UHFFFAOYSA-N 0 0 326.450 4.156 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)C1(c2ccc(F)cc2)CC1 ZINC000040058833 213255231 /nfs/dbraw/zinc/25/52/31/213255231.db2.gz NNDMGEDWGYIYFI-UHFFFAOYSA-N 0 0 339.395 4.015 50 0 EIAARN COc1ccc(CCNC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000040068694 213256709 /nfs/dbraw/zinc/25/67/09/213256709.db2.gz AEBZBKXVHJZKQU-CQSZACIVSA-N 0 0 346.858 4.294 50 0 EIAARN CN(Cc1cccc(Cl)c1)C(=O)NCCCOCc1ccccc1 ZINC000040069031 213256274 /nfs/dbraw/zinc/25/62/74/213256274.db2.gz SYBVXTVBKONSNG-UHFFFAOYSA-N 0 0 346.858 4.088 50 0 EIAARN Cc1ccccc1CNC(=O)Nc1ccc(Br)cc1F ZINC000040023928 213251525 /nfs/dbraw/zinc/25/15/25/213251525.db2.gz MOGVITYNOBZRRP-UHFFFAOYSA-N 0 0 337.192 4.218 50 0 EIAARN CC(C)(C)c1cn2nc(NCCc3c[nH]c4ccccc34)sc2n1 ZINC000040039753 213254604 /nfs/dbraw/zinc/25/46/04/213254604.db2.gz NNRYCMLPCLZCSL-UHFFFAOYSA-N 0 0 339.468 4.224 50 0 EIAARN Cc1cc(NC(=O)c2ccco2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000040047045 213253870 /nfs/dbraw/zinc/25/38/70/213253870.db2.gz ZLMMYFHBFCGWRK-UHFFFAOYSA-N 0 0 335.285 4.045 50 0 EIAARN O=C(Nc1ccccc1F)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000040012780 213250120 /nfs/dbraw/zinc/25/01/20/213250120.db2.gz FFUAIJXOXVFFMH-UHFFFAOYSA-N 0 0 341.382 4.047 50 0 EIAARN Cc1nc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2nc1C ZINC000039980472 213247878 /nfs/dbraw/zinc/24/78/78/213247878.db2.gz PLHHNBWGQGVJAR-UHFFFAOYSA-N 0 0 343.333 4.100 50 0 EIAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001425938 209746268 /nfs/dbraw/zinc/74/62/68/209746268.db2.gz ORCFYZWJQKEOFI-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN FC(F)(F)c1ccc(Cn2c3ccccc3nc2-c2cc[nH]n2)cc1 ZINC000001406563 209742424 /nfs/dbraw/zinc/74/24/24/209742424.db2.gz XEHHOUHGPGLOKQ-UHFFFAOYSA-N 0 0 342.324 4.494 50 0 EIAARN FC(F)(F)c1nnc2ccc(Sc3ccc4ccccc4c3)nn21 ZINC000001401963 209740445 /nfs/dbraw/zinc/74/04/45/209740445.db2.gz YUZMXMWWBTVFQH-UHFFFAOYSA-N 0 0 346.337 4.448 50 0 EIAARN CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000001085168 209709837 /nfs/dbraw/zinc/70/98/37/209709837.db2.gz KYPBUMIKKBOXAK-XIRDDKMYSA-N 0 0 329.440 4.166 50 0 EIAARN CCc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1 ZINC000038703732 213222372 /nfs/dbraw/zinc/22/23/72/213222372.db2.gz OBJUSMUPYSHAJV-UHFFFAOYSA-N 0 0 341.798 4.250 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1N1CCCC1=O ZINC000038697210 213222093 /nfs/dbraw/zinc/22/20/93/213222093.db2.gz MVPXREBOGOFPKR-UHFFFAOYSA-N 0 0 343.814 4.419 50 0 EIAARN Cc1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 ZINC000001018225 209701502 /nfs/dbraw/zinc/70/15/02/209701502.db2.gz DKOQQCIGJUEDRA-UHFFFAOYSA-N 0 0 340.839 4.405 50 0 EIAARN CN(C(=S)NC(=O)c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000001003894 209699356 /nfs/dbraw/zinc/69/93/56/209699356.db2.gz NRORKVGFCKFVPC-UHFFFAOYSA-N 0 0 332.513 4.263 50 0 EIAARN CC(=O)c1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)c1 ZINC000000784491 209686778 /nfs/dbraw/zinc/68/67/78/209686778.db2.gz BSPURTJDKZTSBI-UHFFFAOYSA-N 0 0 326.377 4.168 50 0 EIAARN C/C=C(\C)c1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 ZINC000000618200 209681838 /nfs/dbraw/zinc/68/18/38/209681838.db2.gz LTLUTSGUDQFTNQ-YCRREMRBSA-N 0 0 339.873 4.346 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1c[nH]c2ccccc12 ZINC000038575525 213216394 /nfs/dbraw/zinc/21/63/94/213216394.db2.gz FQDJSTDRPRJVCU-UHFFFAOYSA-N 0 0 338.754 4.124 50 0 EIAARN Cc1cc(C(=O)Nc2nc3c(s2)c(C)ccc3C)n(C(C)C)n1 ZINC000038502773 213212039 /nfs/dbraw/zinc/21/20/39/213212039.db2.gz XGXXNCAVSGMTFO-UHFFFAOYSA-N 0 0 328.441 4.251 50 0 EIAARN O=C(NCc1ccco1)Nc1ccc(Br)cc1Cl ZINC000000611537 209675977 /nfs/dbraw/zinc/67/59/77/209675977.db2.gz OZYXNKJFWGBEAO-UHFFFAOYSA-N 0 0 329.581 4.017 50 0 EIAARN COc1ccc(C(=S)N2CCCCC2)cc1OCc1ccccc1 ZINC000000566434 209666056 /nfs/dbraw/zinc/66/60/56/209666056.db2.gz QGPSSJJIKYUTHS-UHFFFAOYSA-N 0 0 341.476 4.436 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1OC(F)F ZINC000000557766 209663804 /nfs/dbraw/zinc/66/38/04/209663804.db2.gz ZVSMZGGPEFVPFU-UHFFFAOYSA-N 0 0 341.741 4.267 50 0 EIAARN CC[C@@H](C(=O)Nc1c2ccccc2[nH]c1C(=O)OC)c1ccccc1 ZINC000000530227 209650517 /nfs/dbraw/zinc/65/05/17/209650517.db2.gz LQEIGWJPBJYIJW-CQSZACIVSA-N 0 0 336.391 4.087 50 0 EIAARN Fc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)cc1 ZINC000000526258 209647491 /nfs/dbraw/zinc/64/74/91/209647491.db2.gz TZKNYNZUQAYZSG-HOTGVXAUSA-N 0 0 328.778 4.217 50 0 EIAARN Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccccn2)cc1 ZINC000037868429 213171410 /nfs/dbraw/zinc/17/14/10/213171410.db2.gz INUWBBWLQIDWRJ-HXUWFJFHSA-N 0 0 329.403 4.157 50 0 EIAARN C/C=C/Cn1c(C(=O)NCc2cccc(F)c2)cc2sccc21 ZINC000037588192 213159946 /nfs/dbraw/zinc/15/99/46/213159946.db2.gz MAYHOVVNXMANGN-NSCUHMNNSA-N 0 0 328.412 4.348 50 0 EIAARN O=C(Cc1ccc(NCc2ccc(F)cc2)cc1)NCc1ccccc1 ZINC000037554514 213156974 /nfs/dbraw/zinc/15/69/74/213156974.db2.gz ORVSOYDMHINGSM-UHFFFAOYSA-N 0 0 348.421 4.297 50 0 EIAARN CCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1F ZINC000037525936 213154651 /nfs/dbraw/zinc/15/46/51/213154651.db2.gz ALTJNZMLKPTADF-UHFFFAOYSA-N 0 0 330.428 4.338 50 0 EIAARN CCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1Cl ZINC000037525970 213154730 /nfs/dbraw/zinc/15/47/30/213154730.db2.gz VBCYHZNUCKVBLE-UHFFFAOYSA-N 0 0 332.856 4.463 50 0 EIAARN CCCNC(=O)c1cc2sc(C)cc2n1Cc1cccc(OC)c1 ZINC000037541554 213154149 /nfs/dbraw/zinc/15/41/49/213154149.db2.gz LBWYMTGJVFVFEO-UHFFFAOYSA-N 0 0 342.464 4.208 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1C ZINC000000482321 209628065 /nfs/dbraw/zinc/62/80/65/209628065.db2.gz FJPNEBRDRKXQIN-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000000473775 209624981 /nfs/dbraw/zinc/62/49/81/209624981.db2.gz BVFCTUBOCXXKFH-LJQANCHMSA-N 0 0 326.440 4.329 50 0 EIAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000000466184 209618198 /nfs/dbraw/zinc/61/81/98/209618198.db2.gz UQTHMWNVVGTRPJ-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1F ZINC000000464411 209617617 /nfs/dbraw/zinc/61/76/17/209617617.db2.gz KRWHBWJQXCXLRG-LBPRGKRZSA-N 0 0 330.428 4.466 50 0 EIAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(F)cc(F)c2)n1 ZINC000036763540 213117514 /nfs/dbraw/zinc/11/75/14/213117514.db2.gz LVBMJDWVLGCIFE-UHFFFAOYSA-N 0 0 327.334 4.020 50 0 EIAARN O=C(COc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000000455311 209611184 /nfs/dbraw/zinc/61/11/84/209611184.db2.gz QUKLVMAAKATWJL-UHFFFAOYSA-N 0 0 343.854 4.200 50 0 EIAARN COc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC(C)C ZINC000036697909 213110820 /nfs/dbraw/zinc/11/08/20/213110820.db2.gz NCQAMHWHDPDFPX-AWEZNQCLSA-N 0 0 325.408 4.074 50 0 EIAARN Cc1cccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000000454047 209610586 /nfs/dbraw/zinc/61/05/86/209610586.db2.gz VKSFAFPCPKCRHR-UHFFFAOYSA-N 0 0 338.354 4.141 50 0 EIAARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCC3)nc21 ZINC000036676047 213108527 /nfs/dbraw/zinc/10/85/27/213108527.db2.gz KRICFEVAFFYQQY-UHFFFAOYSA-N 0 0 337.448 4.333 50 0 EIAARN COc1ccc(-c2nnc(C)c3nn(-c4ccc(C)cc4)cc32)cc1 ZINC000036649131 213107124 /nfs/dbraw/zinc/10/71/24/213107124.db2.gz AYBHAKOBTPNMON-UHFFFAOYSA-N 0 0 330.391 4.108 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1C ZINC000036620502 213105075 /nfs/dbraw/zinc/10/50/75/213105075.db2.gz WSSNWPMTIGNULX-SFHVURJKSA-N 0 0 347.455 4.277 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1C ZINC000036620501 213104598 /nfs/dbraw/zinc/10/45/98/213104598.db2.gz WSSNWPMTIGNULX-GOSISDBHSA-N 0 0 347.455 4.277 50 0 EIAARN CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000036621135 213104614 /nfs/dbraw/zinc/10/46/14/213104614.db2.gz NXDUCVLRJMAJCY-SFHVURJKSA-N 0 0 349.883 4.428 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c(OC)c1 ZINC000036620875 213104669 /nfs/dbraw/zinc/10/46/69/213104669.db2.gz AKOVWVYQDXHXQO-GOSISDBHSA-N 0 0 340.423 4.381 50 0 EIAARN CNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c21 ZINC000036618452 213103965 /nfs/dbraw/zinc/10/39/65/213103965.db2.gz BSPNMKCVBLGFPQ-UHFFFAOYSA-N 0 0 347.349 4.056 50 0 EIAARN CCn1cc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)c(C)n1 ZINC000036618682 213103537 /nfs/dbraw/zinc/10/35/37/213103537.db2.gz MOCPFCKFPUOYON-UHFFFAOYSA-N 0 0 339.365 4.042 50 0 EIAARN CCCCCCNc1nc(-c2cnn(C)c2C)cc(C(F)(F)F)n1 ZINC000036614146 213102120 /nfs/dbraw/zinc/10/21/20/213102120.db2.gz FLFSGXAZICYVPJ-UHFFFAOYSA-N 0 0 341.381 4.197 50 0 EIAARN CCn1ncc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)c1C ZINC000036613929 213101397 /nfs/dbraw/zinc/10/13/97/213101397.db2.gz USECNENXIYQOEJ-UHFFFAOYSA-N 0 0 339.365 4.042 50 0 EIAARN O=C(Nc1ccccc1)N1CCc2c3ccccc3n3c2[C@@H]1CCC3=O ZINC000036559112 213099933 /nfs/dbraw/zinc/09/99/33/213099933.db2.gz PPMHYNFDZVOBFT-SFHVURJKSA-N 0 0 345.402 4.207 50 0 biogenic EIAARN CCCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000036561596 213099847 /nfs/dbraw/zinc/09/98/47/213099847.db2.gz FZASVNUCUOOVBE-UHFFFAOYSA-N 0 0 327.424 4.193 50 0 EIAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000036394258 213096471 /nfs/dbraw/zinc/09/64/71/213096471.db2.gz BPLVALBWYSXPNG-LBPRGKRZSA-N 0 0 342.345 4.453 50 0 EIAARN COCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)c1 ZINC000036394180 213095821 /nfs/dbraw/zinc/09/58/21/213095821.db2.gz RQGLPGIMJQRJHP-HNNXBMFYSA-N 0 0 326.440 4.396 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc(OC(F)F)c(Cl)c1 ZINC000036394163 213095333 /nfs/dbraw/zinc/09/53/33/213095333.db2.gz GARCNQIMLDEDLE-MFKMUULPSA-N 0 0 346.805 4.048 50 0 EIAARN O=C1C[C@@H](c2ccc(F)c(F)c2)c2ncn(-c3ccccc3F)c2N1 ZINC000036366904 213091033 /nfs/dbraw/zinc/09/10/33/213091033.db2.gz JNRKIXZJGDJCFI-NSHDSACASA-N 0 0 343.308 4.413 50 0 EIAARN CCOC(=O)C1=C(N)Oc2c3ccccc3ccc2[C@@H]1c1ccccc1 ZINC000000446442 209605559 /nfs/dbraw/zinc/60/55/59/209605559.db2.gz IEBUNBXZRJCYDH-SFHVURJKSA-N 0 0 345.398 4.098 50 0 EIAARN Clc1ccc(Cl)c(-c2nnc3sc(-c4ccncc4)nn32)c1 ZINC000036365514 213090448 /nfs/dbraw/zinc/09/04/48/213090448.db2.gz NTRQEMSDWQSKAL-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN O=C1C[C@@H](c2ccccc2F)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036365973 213090467 /nfs/dbraw/zinc/09/04/67/213090467.db2.gz ZJZCHJLLESDWDR-AWEZNQCLSA-N 0 0 325.318 4.274 50 0 EIAARN COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2cccs2)c1 ZINC000036359586 213089446 /nfs/dbraw/zinc/08/94/46/213089446.db2.gz OOAKVWIGEGSOKS-ZDUSSCGKSA-N 0 0 325.393 4.066 50 0 EIAARN Nc1nc2c(s1)[C@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 ZINC000036352911 213087819 /nfs/dbraw/zinc/08/78/19/213087819.db2.gz VSLCEGDXQAKEIF-ZDUSSCGKSA-N 0 0 329.425 4.170 50 0 EIAARN CCc1ccc2oc(C(=O)N3CCOC34CCCCC4)c(C)c2c1 ZINC000035671073 213044699 /nfs/dbraw/zinc/04/46/99/213044699.db2.gz WKPLFKSGNAPUOG-UHFFFAOYSA-N 0 0 327.424 4.436 50 0 EIAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCC1=CCCCC1 ZINC000035536116 213036389 /nfs/dbraw/zinc/03/63/89/213036389.db2.gz MOMNMDOYJNNWAV-UHFFFAOYSA-N 0 0 328.387 4.409 50 0 EIAARN CCCn1cnc2cc(-c3noc(-c4sc(C)nc4C)n3)ccc21 ZINC000035453560 213028331 /nfs/dbraw/zinc/02/83/31/213028331.db2.gz CRQSUIMLRGKSPU-UHFFFAOYSA-N 0 0 339.424 4.237 50 0 EIAARN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000035476423 213031675 /nfs/dbraw/zinc/03/16/75/213031675.db2.gz YMLZPLVWQFPJLC-IBGZPJMESA-N 0 0 343.492 4.446 50 0 EIAARN CCOc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CC)no1 ZINC000035453463 213029315 /nfs/dbraw/zinc/02/93/15/213029315.db2.gz NAQXBIOYAALOSV-UHFFFAOYSA-N 0 0 334.379 4.172 50 0 EIAARN CCn1cnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21 ZINC000035453458 213029357 /nfs/dbraw/zinc/02/93/57/213029357.db2.gz FZVDROKTZZWZOF-UHFFFAOYSA-N 0 0 338.798 4.350 50 0 EIAARN CC[C@H](C)NC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000035429674 213027416 /nfs/dbraw/zinc/02/74/16/213027416.db2.gz OWSNKROJOFCLSA-AWEZNQCLSA-N 0 0 334.423 4.210 50 0 EIAARN COc1cc(OC)cc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 ZINC000071282998 215751609 /nfs/dbraw/zinc/75/16/09/215751609.db2.gz YFMHEVZCVBVLEB-MRXNPFEDSA-N 0 0 341.411 4.139 50 0 EIAARN COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@@H]32)cc1 ZINC000035360487 213023256 /nfs/dbraw/zinc/02/32/56/213023256.db2.gz NCAZXJBAFALTTE-JLSDUUJJSA-N 0 0 343.810 4.371 50 0 EIAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccccc3)n2)c1 ZINC000035319188 213022157 /nfs/dbraw/zinc/02/21/57/213022157.db2.gz UZFIZSRXGDKDMF-QGZVFWFLSA-N 0 0 348.406 4.414 50 0 EIAARN O=C(c1csc(Cl)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000188271568 236499662 /nfs/dbraw/zinc/49/96/62/236499662.db2.gz AASHOVCILCSJEP-NWDGAFQWSA-N 0 0 341.885 4.191 50 0 EIAARN Cn1cccc1CN(C(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000035278325 213016358 /nfs/dbraw/zinc/01/63/58/213016358.db2.gz UVESKSQWEREZFX-UHFFFAOYSA-N 0 0 337.345 4.240 50 0 EIAARN CCc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)ccn1 ZINC000071479633 215782175 /nfs/dbraw/zinc/78/21/75/215782175.db2.gz UPXZFGYBGIMECD-KRWDZBQOSA-N 0 0 340.442 4.268 50 0 EIAARN CCc1[nH]nc(CCc2ccccc2)c1NC(=O)c1ccccc1F ZINC000034795328 212987220 /nfs/dbraw/zinc/98/72/20/212987220.db2.gz VWLQOUCKIZIVSB-UHFFFAOYSA-N 0 0 337.398 4.149 50 0 EIAARN CCCOc1ccc(-c2nc(C(=O)NCC(C)C)cs2)c(F)c1 ZINC000034713593 212984884 /nfs/dbraw/zinc/98/48/84/212984884.db2.gz FMKWOFCGNKDRSV-UHFFFAOYSA-N 0 0 336.432 4.124 50 0 EIAARN Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000000427700 209592539 /nfs/dbraw/zinc/59/25/39/209592539.db2.gz GBKRMVIUPYKTPX-OAHLLOKOSA-N 0 0 325.408 4.049 50 0 EIAARN O=C(/C=C\c1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000033566881 212954093 /nfs/dbraw/zinc/95/40/93/212954093.db2.gz PROCFPCPIJPGQU-PFONDFGASA-N 0 0 348.446 4.355 50 0 EIAARN O=C(c1ccccc1Cc1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000071805037 215840657 /nfs/dbraw/zinc/84/06/57/215840657.db2.gz UZURYFZMIRKQEQ-SFTDATJTSA-N 0 0 335.447 4.061 50 0 EIAARN O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1cccs1 ZINC000000425912 209589788 /nfs/dbraw/zinc/58/97/88/209589788.db2.gz PHVGPTFSRTUYEI-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 EIAARN Cc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)n1 ZINC000033293601 212918455 /nfs/dbraw/zinc/91/84/55/212918455.db2.gz RRDSLQLMVIKMJR-DHDCSXOGSA-N 0 0 344.823 4.280 50 0 EIAARN CCCOC(=O)c1cnc2nc(C)ccc2c1NCc1cccs1 ZINC000033292672 212918324 /nfs/dbraw/zinc/91/83/24/212918324.db2.gz URHQOSXVZCZWJF-UHFFFAOYSA-N 0 0 341.436 4.179 50 0 EIAARN COc1ccc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1O ZINC000033271118 212913702 /nfs/dbraw/zinc/91/37/02/212913702.db2.gz IRLYPDZBCCIRIS-KPOBHBOGSA-N 0 0 325.408 4.344 50 0 EIAARN O=c1oc2ccccc2cc1-c1cn(-c2ccccc2F)c(=S)[nH]1 ZINC000000424426 209587440 /nfs/dbraw/zinc/58/74/40/209587440.db2.gz NJCXKYHGXFAQSF-UHFFFAOYSA-N 0 0 338.363 4.447 50 0 EIAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NC(C)C)c3)ncn2)c1 ZINC000033260913 212911770 /nfs/dbraw/zinc/91/17/70/212911770.db2.gz OTSDDGQRKFRWFP-UHFFFAOYSA-N 0 0 346.434 4.334 50 0 EIAARN Cc1cc2c(ccn(CC(=O)Nc3cccc(C(C)C)c3)c2=O)s1 ZINC000033172961 212903878 /nfs/dbraw/zinc/90/38/78/212903878.db2.gz BDPPGRXUNZOSIO-UHFFFAOYSA-N 0 0 340.448 4.134 50 0 EIAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1 ZINC000000423646 209586221 /nfs/dbraw/zinc/58/62/21/209586221.db2.gz PTZBMKSGPMKOOT-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN Cc1ccc(C)c(-n2c(N)c(C(=O)N3CCCCC3)sc2=S)c1 ZINC000032952374 212880689 /nfs/dbraw/zinc/88/06/89/212880689.db2.gz AHPDRONSSWUOHC-UHFFFAOYSA-N 0 0 347.509 4.093 50 0 EIAARN CC[C@H](C)NC(=O)CCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032975019 212883754 /nfs/dbraw/zinc/88/37/54/212883754.db2.gz IBNHKYCFAFEZPZ-KRWDZBQOSA-N 0 0 347.462 4.387 50 0 EIAARN CCOc1ccc([C@H](C)NC(=O)CCOc2cccc(Cl)c2)cc1 ZINC000032919232 212873061 /nfs/dbraw/zinc/87/30/61/212873061.db2.gz PLKIWNOHGNCRQG-AWEZNQCLSA-N 0 0 347.842 4.385 50 0 EIAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc(F)cc(F)c1 ZINC000032930563 212876194 /nfs/dbraw/zinc/87/61/94/212876194.db2.gz ZQOOKSLSGRTYIV-UHFFFAOYSA-N 0 0 340.329 4.082 50 0 EIAARN O=C(CCc1cccnc1)Nc1nc2ccc3ccccc3c2s1 ZINC000032901082 212864210 /nfs/dbraw/zinc/86/42/10/212864210.db2.gz JLQMUUXHHYTOEV-UHFFFAOYSA-N 0 0 333.416 4.416 50 0 EIAARN COc1ccccc1[C@H](C)NC(=O)CS[C@@H](C)c1ccccc1 ZINC000032909441 212868739 /nfs/dbraw/zinc/86/87/39/212868739.db2.gz PDJZLTZEXSJHCN-GJZGRUSLSA-N 0 0 329.465 4.367 50 0 EIAARN C[C@@H]1Oc2c(cccc2C(=O)NCCCOC2CCCCC2)[C@@H]1C ZINC000032820878 212849917 /nfs/dbraw/zinc/84/99/17/212849917.db2.gz MJWUQSXUZXMORT-CABCVRRESA-N 0 0 331.456 4.040 50 0 EIAARN COc1c(C)cnc(CSc2nnc(-c3cccs3)o2)c1C ZINC000071905463 215948317 /nfs/dbraw/zinc/94/83/17/215948317.db2.gz SYOLWOBIBGELJS-UHFFFAOYSA-N 0 0 333.438 4.111 50 0 EIAARN CCOCc1ccccc1CNC(=O)c1oc2c(cccc2F)c1C ZINC000032809417 212847008 /nfs/dbraw/zinc/84/70/08/212847008.db2.gz YVUVQIAYKIYFNM-UHFFFAOYSA-N 0 0 341.382 4.347 50 0 EIAARN CCN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@H](C)c1cccnc1 ZINC000071908733 215951385 /nfs/dbraw/zinc/95/13/85/215951385.db2.gz YRJDPMNSUXAVLD-MRXNPFEDSA-N 0 0 349.434 4.279 50 0 EIAARN c1cc(-c2cccc(-c3noc(-c4cccc5[nH]ccc54)n3)c2)n[nH]1 ZINC000035461736 213029923 /nfs/dbraw/zinc/02/99/23/213029923.db2.gz OARYHQOAOLUXIB-UHFFFAOYSA-N 0 0 327.347 4.275 50 0 EIAARN COc1ccc(F)cc1-c1csc(NC(=O)c2cccs2)n1 ZINC000000419233 209582140 /nfs/dbraw/zinc/58/21/40/209582140.db2.gz CBUHWYTXTOFYIE-UHFFFAOYSA-N 0 0 334.397 4.272 50 0 EIAARN Fc1cccc(Cc2noc(CCCc3c[nH]c4ccccc34)n2)c1 ZINC000032592921 212813363 /nfs/dbraw/zinc/81/33/63/212813363.db2.gz IQNMPGDNKYVYMS-UHFFFAOYSA-N 0 0 335.382 4.456 50 0 EIAARN CCC(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000032623353 212820355 /nfs/dbraw/zinc/82/03/55/212820355.db2.gz JAZHWWNFBPOEPG-UHFFFAOYSA-N 0 0 327.771 4.406 50 0 EIAARN Cc1ccc(NC(=O)c2cnc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000035707183 213047984 /nfs/dbraw/zinc/04/79/84/213047984.db2.gz JQYMZKJSGDZYJL-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Cc1cc(C)cc(CSc2nnc(NCC(F)(F)F)s2)c1 ZINC000072048511 215998235 /nfs/dbraw/zinc/99/82/35/215998235.db2.gz VPKDQNYFIRNZHM-UHFFFAOYSA-N 0 0 333.404 4.421 50 0 EIAARN Cc1ccc(C)c(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000072115642 216011327 /nfs/dbraw/zinc/01/13/27/216011327.db2.gz QEMPLWNIVNBAGV-UHFFFAOYSA-N 0 0 330.431 4.470 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nn1 ZINC000072117372 216012324 /nfs/dbraw/zinc/01/23/24/216012324.db2.gz ZZHIIFVORURZNP-UHFFFAOYSA-N 0 0 338.342 4.360 50 0 EIAARN COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cc(OC)c1C ZINC000032038461 212783449 /nfs/dbraw/zinc/78/34/49/212783449.db2.gz QFGLUVMSIQQHEA-JTQLQIEISA-N 0 0 339.844 4.218 50 0 EIAARN Cc1cn(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)c(C)n1 ZINC000072132903 216021822 /nfs/dbraw/zinc/02/18/22/216021822.db2.gz DXDOHDYMVZFHRH-UHFFFAOYSA-N 0 0 336.439 4.100 50 0 EIAARN Oc1cccc(-c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)c1 ZINC000072142111 216028039 /nfs/dbraw/zinc/02/80/39/216028039.db2.gz QOTYMVLZZXKVRY-UHFFFAOYSA-N 0 0 347.349 4.234 50 0 EIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccccc1C(F)(F)F ZINC000072140621 216028064 /nfs/dbraw/zinc/02/80/64/216028064.db2.gz ONRKRWKATNSOJQ-LLVKDONJSA-N 0 0 337.345 4.131 50 0 EIAARN Cc1cc(C(=O)Nc2nc(C3CC3)cs2)c2ccc(F)cc2n1 ZINC000031917932 212759441 /nfs/dbraw/zinc/75/94/41/212759441.db2.gz LCDYHLUWMKFLMC-UHFFFAOYSA-N 0 0 327.384 4.269 50 0 EIAARN O=C1CC[C@]2(CCCO2)CCN1Cc1cccc(-c2ccccc2)c1 ZINC000072152831 216041488 /nfs/dbraw/zinc/04/14/88/216041488.db2.gz SKMULIPPDKPUJC-JOCHJYFZSA-N 0 0 335.447 4.415 50 0 EIAARN Cc1cc(C(=O)N2CC(c3ccccn3)C2)sc1-c1ccccc1 ZINC000072158555 216047877 /nfs/dbraw/zinc/04/78/77/216047877.db2.gz OYMBJOKACHGQQA-UHFFFAOYSA-N 0 0 334.444 4.358 50 0 EIAARN COC(=O)c1cc(CSCc2cc(F)cc3cccnc32)oc1C ZINC000031664770 212741960 /nfs/dbraw/zinc/74/19/60/212741960.db2.gz IBYSHHVPFTXMNS-UHFFFAOYSA-N 0 0 345.395 4.495 50 0 EIAARN CC(C)c1nnsc1CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072171316 216061948 /nfs/dbraw/zinc/06/19/48/216061948.db2.gz DHUREVGVMLJRKZ-AWEZNQCLSA-N 0 0 345.447 4.014 50 0 EIAARN CCCOc1ccccc1C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000072170479 216062235 /nfs/dbraw/zinc/06/22/35/216062235.db2.gz JZIFNUOYJJSLIF-SFHVURJKSA-N 0 0 338.451 4.192 50 0 EIAARN Cn1ccnc1-c1nccn1Cc1sc2ccccc2c1Cl ZINC000072167922 216058809 /nfs/dbraw/zinc/05/88/09/216058809.db2.gz PRTGZJPVUHKKLD-UHFFFAOYSA-N 0 0 328.828 4.200 50 0 EIAARN Cc1nc2c(o1)c(Cl)cc(Cl)c2I ZINC000072233747 216074273 /nfs/dbraw/zinc/07/42/73/216074273.db2.gz UVMSZHIEKJMCIQ-UHFFFAOYSA-N 0 0 327.936 4.048 50 0 EIAARN Cc1ccc(Nc2nc3n[nH]cc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000072238794 216077674 /nfs/dbraw/zinc/07/76/74/216077674.db2.gz ZOQKMZFXVHJRHU-UHFFFAOYSA-N 0 0 330.395 4.457 50 0 EIAARN Cc1ccc2c(Cl)c(C(=O)NCC[C@@H](O)c3ccco3)sc2c1 ZINC000072243138 216082391 /nfs/dbraw/zinc/08/23/91/216082391.db2.gz RTVDOVIWWONVSD-GFCCVEGCSA-N 0 0 349.839 4.310 50 0 EIAARN O=C(Cc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000072260052 216086401 /nfs/dbraw/zinc/08/64/01/216086401.db2.gz OVEZRQGYVZDSHJ-UHFFFAOYSA-N 0 0 342.851 4.322 50 0 EIAARN Cc1nc([C@@H](C)NC(=O)N(Cc2ccco2)Cc2ccco2)cs1 ZINC000072271607 216094946 /nfs/dbraw/zinc/09/49/46/216094946.db2.gz LNAIEFJNUZFAGY-GFCCVEGCSA-N 0 0 345.424 4.111 50 0 EIAARN CCc1ccc(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000072276855 216103916 /nfs/dbraw/zinc/10/39/16/216103916.db2.gz MVBAZGURQCVJRM-QGZVFWFLSA-N 0 0 336.357 4.081 50 0 EIAARN COc1ccc(CC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000000387100 209564874 /nfs/dbraw/zinc/56/48/74/209564874.db2.gz MDMBYQFRKXUAPD-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000000375989 209558606 /nfs/dbraw/zinc/55/86/06/209558606.db2.gz RWJHKSYMLVIAJY-LBPRGKRZSA-N 0 0 328.418 4.394 50 0 EIAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cc(Cl)ccc1Cl)OC2=O ZINC000000351803 209545878 /nfs/dbraw/zinc/54/58/78/209545878.db2.gz XHDCTUOJVOKGGP-JKSUJKDBSA-N 0 0 342.222 4.054 50 0 EIAARN CC1(C)C(=O)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]1C2 ZINC000000352930 209547424 /nfs/dbraw/zinc/54/74/24/209547424.db2.gz IAOSELDKXQRXRF-FVMDXXJSSA-N 0 0 326.223 4.327 50 0 EIAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccc(F)c1 ZINC000000353015 209547217 /nfs/dbraw/zinc/54/72/17/209547217.db2.gz FTESBNRHRROYDS-UHFFFAOYSA-N 0 0 331.350 4.393 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)CCc1ccccc1 ZINC000000318764 209534875 /nfs/dbraw/zinc/53/48/75/209534875.db2.gz JXKNQXFVWYAXDV-OAHLLOKOSA-N 0 0 334.419 4.401 50 0 EIAARN O=Cc1cc(Br)ccc1OC(=O)c1cccc(Cl)c1 ZINC000000316923 209533440 /nfs/dbraw/zinc/53/34/40/209533440.db2.gz SQKYAAVHSAHEDR-UHFFFAOYSA-N 0 0 339.572 4.134 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000000306948 209527294 /nfs/dbraw/zinc/52/72/94/209527294.db2.gz UKLQFIPWZBRUBP-SNVBAGLBSA-N 0 0 332.812 4.356 50 0 EIAARN COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000000300785 209523961 /nfs/dbraw/zinc/52/39/61/209523961.db2.gz QOFYEXZKCKPTFF-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN O=C(C[C@H]1CCOc2ccccc21)N1CCCC[C@@H]1c1nccs1 ZINC000072287469 216119198 /nfs/dbraw/zinc/11/91/98/216119198.db2.gz PYHNWDDJDPDFKH-GDBMZVCRSA-N 0 0 342.464 4.153 50 0 EIAARN COc1ccc(CNc2ccc(Br)c(C)c2)c(OC)c1 ZINC000000263116 209509409 /nfs/dbraw/zinc/50/94/09/209509409.db2.gz VTAMJNMOJJZDRY-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072293497 216129455 /nfs/dbraw/zinc/12/94/55/216129455.db2.gz DLVQUIFASURMGD-GVDBMIGSSA-N 0 0 326.465 4.309 50 0 EIAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000029515696 212671373 /nfs/dbraw/zinc/67/13/73/212671373.db2.gz FGPBGMZFUHHYCY-RYUDHWBXSA-N 0 0 336.501 4.159 50 0 EIAARN O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000000251547 209504672 /nfs/dbraw/zinc/50/46/72/209504672.db2.gz AMVWDBWXZAUHFB-AWEZNQCLSA-N 0 0 344.625 4.192 50 0 EIAARN Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(F)c3)c(Cl)c2c1 ZINC000072329835 216154205 /nfs/dbraw/zinc/15/42/05/216154205.db2.gz AZULIHLMOQDNBZ-UHFFFAOYSA-N 0 0 349.814 4.477 50 0 EIAARN COc1cc(C(=O)NCCC2=CCCCC2)nc2c(C)cc(F)cc12 ZINC000072329494 216154251 /nfs/dbraw/zinc/15/42/51/216154251.db2.gz ZTHKXPKKWUYXQY-UHFFFAOYSA-N 0 0 342.414 4.311 50 0 EIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 ZINC000000228987 209496370 /nfs/dbraw/zinc/49/63/70/209496370.db2.gz XHWFGAHZXGWNOK-QHHAFSJGSA-N 0 0 336.174 4.374 50 0 EIAARN COc1cc(Cl)ccc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000072331757 216155215 /nfs/dbraw/zinc/15/52/15/216155215.db2.gz BDWKGXQGXDKOME-UHFFFAOYSA-N 0 0 343.732 4.297 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC000029103556 212651015 /nfs/dbraw/zinc/65/10/15/212651015.db2.gz YFWFJWAQQMBKHO-UHFFFAOYSA-N 0 0 325.387 4.406 50 0 EIAARN CCSc1nc2ccccc2n1CC(=O)Nc1ccccc1CC ZINC000000210000 209486043 /nfs/dbraw/zinc/48/60/43/209486043.db2.gz GWNAFHIVTHJWIV-UHFFFAOYSA-N 0 0 339.464 4.349 50 0 EIAARN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000000188526 209472647 /nfs/dbraw/zinc/47/26/47/209472647.db2.gz TYFIAIUNURWZEU-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN COc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O ZINC000000178220 209466270 /nfs/dbraw/zinc/46/62/70/209466270.db2.gz NUWWCVRYXWSAIN-UHFFFAOYSA-N 0 0 331.165 4.231 50 0 biogenic EIAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1F ZINC000000181009 209468723 /nfs/dbraw/zinc/46/87/23/209468723.db2.gz ZPNDKYNVPFIHBK-UHFFFAOYSA-N 0 0 347.802 4.174 50 0 EIAARN O=C(COc1ccccc1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000000151313 209454531 /nfs/dbraw/zinc/45/45/31/209454531.db2.gz PCQVJLDSMXJGHM-UHFFFAOYSA-N 0 0 344.823 4.481 50 0 EIAARN COc1ccc2nc(NC(=O)c3c(C)cc(C)cc3C)sc2c1 ZINC000000144529 209448261 /nfs/dbraw/zinc/44/82/61/209448261.db2.gz UOSWSWNVMDXWHC-UHFFFAOYSA-N 0 0 326.421 4.482 50 0 EIAARN Cc1cc(I)ccc1NC(=O)C1CCCCC1 ZINC000000141594 209446986 /nfs/dbraw/zinc/44/69/86/209446986.db2.gz TZIAVVBQMOEAQI-UHFFFAOYSA-N 0 0 343.208 4.118 50 0 EIAARN Cc1c(C=C2SC(=O)N=C2Nc2cccc(Cl)c2)cnn1C ZINC000072400691 216194265 /nfs/dbraw/zinc/19/42/65/216194265.db2.gz XAOPPRURFJWLDR-MLPAPPSSSA-N 0 0 332.816 4.100 50 0 EIAARN Cn1ccc2c1cccc2NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000072400548 216194305 /nfs/dbraw/zinc/19/43/05/216194305.db2.gz ZJNQIFWBVAAVMH-UHFFFAOYSA-N 0 0 347.443 4.483 50 0 EIAARN CC[C@@H](C)NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000000136856 209443284 /nfs/dbraw/zinc/44/32/84/209443284.db2.gz BKLBVBJIIRVHCU-MRXNPFEDSA-N 0 0 325.452 4.306 50 0 EIAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000000136394 209442685 /nfs/dbraw/zinc/44/26/85/209442685.db2.gz MTAGKCCPNGWCMP-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN FC(F)(F)c1cccc(-c2nnc(SCc3ccccc3)o2)n1 ZINC000000127142 209437335 /nfs/dbraw/zinc/43/73/35/209437335.db2.gz ZCWMZYDMAURRSZ-UHFFFAOYSA-N 0 0 337.326 4.443 50 0 EIAARN CCOC(=O)c1cc(-c2csc(-c3ccc(Cl)cc3)n2)on1 ZINC000000123676 209437016 /nfs/dbraw/zinc/43/70/16/209437016.db2.gz XNONXJFOHDZLRR-UHFFFAOYSA-N 0 0 334.784 4.295 50 0 EIAARN C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(-n2cccc2)cc1 ZINC000028304026 212614936 /nfs/dbraw/zinc/61/49/36/212614936.db2.gz YZYSCYYDDXDCTP-INIZCTEOSA-N 0 0 333.435 4.034 50 0 EIAARN O=C1C[C@@H](c2cccs2)Sc2nc(-c3ccc(F)cc3)nn21 ZINC000000079116 209405447 /nfs/dbraw/zinc/40/54/47/209405447.db2.gz NSEIZGBKDCHFOQ-LBPRGKRZSA-N 0 0 331.397 4.023 50 0 EIAARN O=C(c1cc(F)c(F)cc1Cl)N1CCCC[C@@H]1c1ccccn1 ZINC000072418956 216207739 /nfs/dbraw/zinc/20/77/39/216207739.db2.gz YTRPFOZOJLSGCN-MRXNPFEDSA-N 0 0 336.769 4.381 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1C ZINC000028266347 212611661 /nfs/dbraw/zinc/61/16/61/212611661.db2.gz ZKIKLXFBXQUIPD-ZDUSSCGKSA-N 0 0 325.437 4.352 50 0 EIAARN O=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 ZINC000000071552 209401126 /nfs/dbraw/zinc/40/11/26/209401126.db2.gz OVWBIJOVHFXXBG-UHFFFAOYSA-N 0 0 347.399 4.491 50 0 EIAARN Fc1ccccc1Nc1nc2ccccc2c(NC[C@H]2CCCO2)n1 ZINC000000090358 209413896 /nfs/dbraw/zinc/41/38/96/209413896.db2.gz ZGOVASAFQLMKPM-CYBMUJFWSA-N 0 0 338.386 4.103 50 0 EIAARN Cc1cc2c(cc1C)[C@H](c1cc3c(cc1Cl)OCO3)CC(=O)N2 ZINC000000088900 209412604 /nfs/dbraw/zinc/41/26/04/209412604.db2.gz RISOLTAHTLTNDH-NSHDSACASA-N 0 0 329.783 4.160 50 0 EIAARN O=C(NC(=S)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000000084406 209409718 /nfs/dbraw/zinc/40/97/18/209409718.db2.gz VNMIXZLSPNJOGL-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN CC(C)COC(=O)c1cn(C2CCCCC2)c2ccccc2c1=O ZINC000000083673 209407763 /nfs/dbraw/zinc/40/77/63/209407763.db2.gz PVEFVHNWLWRACO-UHFFFAOYSA-N 0 0 327.424 4.320 50 0 EIAARN COC(=O)c1scc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000082082 209407210 /nfs/dbraw/zinc/40/72/10/209407210.db2.gz NGSFDYBIHIRFEG-UHFFFAOYSA-N 0 0 331.437 4.393 50 0 EIAARN CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CCCC2 ZINC000000064401 209396639 /nfs/dbraw/zinc/39/66/39/209396639.db2.gz KRISQZSSEQBSFT-UHFFFAOYSA-N 0 0 345.420 4.415 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000072424827 216214183 /nfs/dbraw/zinc/21/41/83/216214183.db2.gz KRCGRRPOVRYERM-OAHLLOKOSA-N 0 0 329.469 4.337 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 ZINC000000051824 209390840 /nfs/dbraw/zinc/39/08/40/209390840.db2.gz DLXJERLLAURAAJ-UHFFFAOYSA-N 0 0 326.248 4.402 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1C ZINC000000051893 209390565 /nfs/dbraw/zinc/39/05/65/209390565.db2.gz GBOGAIPADMNUAG-UHFFFAOYSA-N 0 0 342.439 4.111 50 0 EIAARN Cc1ccc(C)c(C(=O)c2ccccc2NC(=O)c2ccccn2)c1 ZINC000000050395 209390263 /nfs/dbraw/zinc/39/02/63/209390263.db2.gz OWQGUQADTXKGCH-UHFFFAOYSA-N 0 0 330.387 4.182 50 0 EIAARN O=C(c1ccccc1)N1CCC(c2nnc(-c3ccccc3)s2)CC1 ZINC000072427571 216219096 /nfs/dbraw/zinc/21/90/96/216219096.db2.gz UNZHAZVYFKLDPI-UHFFFAOYSA-N 0 0 349.459 4.225 50 0 EIAARN O=c1nc(SCc2ccccc2)c2c(n1Cc1ccccc1)CCC2 ZINC000027993451 212593803 /nfs/dbraw/zinc/59/38/03/212593803.db2.gz KZLLGANDYUFZGY-UHFFFAOYSA-N 0 0 348.471 4.073 50 0 EIAARN Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3F)c2)nn1 ZINC000072437226 216232842 /nfs/dbraw/zinc/23/28/42/216232842.db2.gz RUUHKEMWNWTXQG-UHFFFAOYSA-N 0 0 341.317 4.108 50 0 EIAARN O=C(c1ccc(Cl)s1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072453585 216240705 /nfs/dbraw/zinc/24/07/05/216240705.db2.gz QPXSMGQXFQYBAY-GFCCVEGCSA-N 0 0 349.818 4.394 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H]1c1ccccn1 ZINC000072463200 216245176 /nfs/dbraw/zinc/24/51/76/216245176.db2.gz GEVHSOVUQLLJIP-KRWDZBQOSA-N 0 0 333.391 4.022 50 0 EIAARN O=C(Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)c1cccnc1 ZINC000129986733 223110382 /nfs/dbraw/zinc/11/03/82/223110382.db2.gz NLZCMOVQLXAKIB-UHFFFAOYSA-N 0 0 333.178 4.031 50 0 EIAARN S=c1scnn1CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000027507033 212559326 /nfs/dbraw/zinc/55/93/26/212559326.db2.gz VSWOMUCRRYQXMD-NSHDSACASA-N 0 0 348.522 4.121 50 0 EIAARN C[C@H](Sc1nccn1-c1ccccc1)C(=O)Nc1ccccc1F ZINC000027486655 212559348 /nfs/dbraw/zinc/55/93/48/212559348.db2.gz ZUMZQJJAXSTYHM-ZDUSSCGKSA-N 0 0 341.411 4.131 50 0 EIAARN Fc1cccc(-c2nc(COc3ccc(-c4nnco4)cc3)co2)c1 ZINC000026036070 212505745 /nfs/dbraw/zinc/50/57/45/212505745.db2.gz DJOYVPDNANIVBW-UHFFFAOYSA-N 0 0 337.310 4.110 50 0 EIAARN Cc1c(C(=O)N(C)[C@@H](C)c2ccccc2)cnn1-c1ccccc1F ZINC000025616931 212490739 /nfs/dbraw/zinc/49/07/39/212490739.db2.gz ZWDRYYRFMZKNDS-AWEZNQCLSA-N 0 0 337.398 4.153 50 0 EIAARN C[C@@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(F)c1 ZINC000025482502 212484662 /nfs/dbraw/zinc/48/46/62/212484662.db2.gz JISAHGWAECFYJV-SNVBAGLBSA-N 0 0 342.292 4.163 50 0 EIAARN O=C(OCc1csc(-c2ccco2)n1)c1ccc2ccccc2n1 ZINC000025454669 212482052 /nfs/dbraw/zinc/48/20/52/212482052.db2.gz ILDFJLBBFPCSCK-UHFFFAOYSA-N 0 0 336.372 4.308 50 0 EIAARN Cc1oc(C)c(C(=O)NCCc2ccc(Br)s2)c1C ZINC000025076294 212459246 /nfs/dbraw/zinc/45/92/46/212459246.db2.gz DJTIZWRLSJAJBH-UHFFFAOYSA-N 0 0 342.258 4.001 50 0 EIAARN CC(=O)Nc1nc(CSc2cc(C)c3ccccc3n2)cs1 ZINC000024910487 212446823 /nfs/dbraw/zinc/44/68/23/212446823.db2.gz USBPLUCYWRBBCM-UHFFFAOYSA-N 0 0 329.450 4.250 50 0 EIAARN CN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@H]1CCc2ccccc21 ZINC000024828269 212441420 /nfs/dbraw/zinc/44/14/20/212441420.db2.gz SCUUNCXBLNIFLK-IBGZPJMESA-N 0 0 346.430 4.420 50 0 EIAARN Cc1noc(C)c1[C@H](C)NC(=O)Nc1cc(-n2cccc2)ccc1F ZINC000073982730 216440607 /nfs/dbraw/zinc/44/06/07/216440607.db2.gz CSVFTAMZPPWASV-NSHDSACASA-N 0 0 342.374 4.104 50 0 EIAARN CC(C)[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000023771746 212394100 /nfs/dbraw/zinc/39/41/00/212394100.db2.gz GLINAESLFFNOQC-FQEVSTJZSA-N 0 0 327.399 4.302 50 0 EIAARN CCCc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000023691717 212390053 /nfs/dbraw/zinc/39/00/53/212390053.db2.gz PMIUHGYVLXTWOI-KRWDZBQOSA-N 0 0 336.435 4.169 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ZINC000021787188 212250445 /nfs/dbraw/zinc/25/04/45/212250445.db2.gz IYMTXBNUNNTYGB-FQEVSTJZSA-N 0 0 347.462 4.467 50 0 EIAARN CCn1nccc1[C@@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000021791791 212249846 /nfs/dbraw/zinc/24/98/46/212249846.db2.gz XMLZQGDCWKZURZ-AWEZNQCLSA-N 0 0 336.798 4.065 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)NCc1coc(-c2ccccc2)n1 ZINC000132832384 223366687 /nfs/dbraw/zinc/36/66/87/223366687.db2.gz MIXBRWZOJUQAOX-UHFFFAOYSA-N 0 0 345.402 4.072 50 0 EIAARN C[C@H](O)c1ccc(C2(CNC(=O)c3ccsc3)CCCC2)s1 ZINC000225680489 241985038 /nfs/dbraw/zinc/98/50/38/241985038.db2.gz JPRJJCXEXUWSIV-LBPRGKRZSA-N 0 0 335.494 4.105 50 0 EIAARN C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccccc1C(F)(F)F ZINC000225598755 241944337 /nfs/dbraw/zinc/94/43/37/241944337.db2.gz KVCYKIYVKFHDSD-LBPRGKRZSA-N 0 0 349.352 4.001 50 0 EIAARN Cc1noc(C)c1[C@H]1CCCN1Cc1cccc(Br)c1 ZINC000021720232 212245166 /nfs/dbraw/zinc/24/51/66/212245166.db2.gz ATCZEKNWTQANQJ-OAHLLOKOSA-N 0 0 335.245 4.391 50 0 EIAARN O=C(CCc1ccccc1F)N1CCc2cc(-c3ccncc3)ccc21 ZINC000225638880 241964099 /nfs/dbraw/zinc/96/40/99/241964099.db2.gz RMWPLCAAEUODIR-UHFFFAOYSA-N 0 0 346.405 4.410 50 0 EIAARN Cc1ccc(CCC(=O)Oc2ccc(-c3nncs3)cc2)c(C)c1 ZINC000225856348 242063428 /nfs/dbraw/zinc/06/34/28/242063428.db2.gz IKXOUGLCMJRRHS-UHFFFAOYSA-N 0 0 338.432 4.360 50 0 EIAARN CN(C(=O)c1coc(CC2CC2)n1)c1nc2ccc(Cl)cc2s1 ZINC000225755461 242021128 /nfs/dbraw/zinc/02/11/28/242021128.db2.gz DXGBBACNTJJAKV-UHFFFAOYSA-N 0 0 347.827 4.167 50 0 EIAARN CC(C)c1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)s1 ZINC000021669679 212238455 /nfs/dbraw/zinc/23/84/55/212238455.db2.gz JVYJVNDDDKJQAQ-UHFFFAOYSA-N 0 0 341.436 4.493 50 0 EIAARN O=c1cc(CSc2ccc(F)cc2)nc2sc3c(n21)CCCC3 ZINC000021650860 212237751 /nfs/dbraw/zinc/23/77/51/212237751.db2.gz IIIOWANSPIBOLR-UHFFFAOYSA-N 0 0 346.452 4.066 50 0 EIAARN CCCc1cc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)no1 ZINC000021719351 212244102 /nfs/dbraw/zinc/24/41/02/212244102.db2.gz XNMDHJGTCVIWRR-KRWDZBQOSA-N 0 0 332.831 4.187 50 0 EIAARN CCc1cc([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)on1 ZINC000021719417 212244129 /nfs/dbraw/zinc/24/41/29/212244129.db2.gz YBKCEHWHRWRQGB-MRXNPFEDSA-N 0 0 343.427 4.250 50 0 EIAARN Cc1noc(C)c1[C@@H]1CCCN1Cc1cccc(Br)c1 ZINC000021720230 212243745 /nfs/dbraw/zinc/24/37/45/212243745.db2.gz ATCZEKNWTQANQJ-HNNXBMFYSA-N 0 0 335.245 4.391 50 0 EIAARN Fc1ccccc1[C@H](NCc1ccco1)c1nnc(-c2ccccc2)o1 ZINC000021538393 212230333 /nfs/dbraw/zinc/23/03/33/212230333.db2.gz OYMODMCUSYEYFM-SFHVURJKSA-N 0 0 349.365 4.348 50 0 EIAARN O=C(OCCOc1ccc(Cl)cc1)c1cccc2cccnc21 ZINC000021534658 212230405 /nfs/dbraw/zinc/23/04/05/212230405.db2.gz BBQPQAMENBAARL-UHFFFAOYSA-N 0 0 327.767 4.124 50 0 EIAARN O=C(CSc1ccc2c(c1)CCC2)NCC1(c2ccccc2)CC1 ZINC000021524508 212228976 /nfs/dbraw/zinc/22/89/76/212228976.db2.gz BARDHMUHJZYLNP-UHFFFAOYSA-N 0 0 337.488 4.115 50 0 EIAARN CSc1ccc(CCNC(=O)c2ncoc2-c2cccs2)cc1 ZINC000021641960 212236525 /nfs/dbraw/zinc/23/65/25/212236525.db2.gz ZNHNTPLOXKARFJ-UHFFFAOYSA-N 0 0 344.461 4.098 50 0 EIAARN COCc1nc(CN2C[C@H]3CCCC[C@]32c2ccccc2)cs1 ZINC000230125542 242234681 /nfs/dbraw/zinc/23/46/81/242234681.db2.gz VXMNBJXOQYNEBS-APWZRJJASA-N 0 0 328.481 4.191 50 0 EIAARN Cc1cc(C)c(NC(=O)CN(C)CCO[C@H]2CCCC[C@H]2C)c(C)c1 ZINC000230197496 242247653 /nfs/dbraw/zinc/24/76/53/242247653.db2.gz VXMHYJLIVVYGJE-APWZRJJASA-N 0 0 346.515 4.077 50 0 EIAARN COC(=O)c1ccccc1NC(=O)c1cc2c(cccc2F)s1 ZINC000021356301 212222399 /nfs/dbraw/zinc/22/23/99/212222399.db2.gz PAHBVUXDSFTXLF-UHFFFAOYSA-N 0 0 329.352 4.079 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc3cnccc32)cc1C ZINC000021219565 212216604 /nfs/dbraw/zinc/21/66/04/212216604.db2.gz FTNKSHYDGBEGBY-UHFFFAOYSA-N 0 0 332.403 4.453 50 0 EIAARN COc1cc(C(=O)Nc2cccc3cnccc32)ccc1OC(F)F ZINC000021217090 212216365 /nfs/dbraw/zinc/21/63/65/212216365.db2.gz PPQVERASYBYUHG-UHFFFAOYSA-N 0 0 344.317 4.097 50 0 EIAARN O=c1c2ccc[nH]c-2c(Nc2cccc(Cl)c2)n1Cc1ccco1 ZINC000021104956 212206941 /nfs/dbraw/zinc/20/69/41/212206941.db2.gz FINCNYCTKOIQBX-KRWDZBQOSA-N 0 0 339.782 4.095 50 0 EIAARN Cc1noc(C)c1Cc1ccc(C(=O)NC2CCCCCCC2)o1 ZINC000021088000 212205132 /nfs/dbraw/zinc/20/51/32/212205132.db2.gz SFZPTCZEIOVBKA-UHFFFAOYSA-N 0 0 330.428 4.318 50 0 EIAARN Cc1noc(C)c1Cc1ccc(C(=O)NCc2cccc(Cl)c2)o1 ZINC000021087996 212204297 /nfs/dbraw/zinc/20/42/97/212204297.db2.gz XSPQGRHLAKGHKA-UHFFFAOYSA-N 0 0 344.798 4.059 50 0 EIAARN Cc1noc(C)c1Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)o1 ZINC000021088014 212204073 /nfs/dbraw/zinc/20/40/73/212204073.db2.gz SYASIUIFDTZGMZ-ZDUSSCGKSA-N 0 0 338.407 4.009 50 0 EIAARN COc1ccccc1NC(=O)C[C@@H](c1cccc(C)c1)n1cccc1 ZINC000021015981 212200727 /nfs/dbraw/zinc/20/07/27/212200727.db2.gz ILWBJXLGFKAVIS-IBGZPJMESA-N 0 0 334.419 4.423 50 0 EIAARN O=C(C[C@H](c1ccccc1)n1cccc1)NCc1ccc(Cl)cc1 ZINC000021016081 212200796 /nfs/dbraw/zinc/20/07/96/212200796.db2.gz MSWGMPWPYXTHKT-LJQANCHMSA-N 0 0 338.838 4.437 50 0 EIAARN COc1ccc(CNC(=O)C[C@@H](c2cccc(C)c2)n2cccc2)cc1 ZINC000020998970 212197800 /nfs/dbraw/zinc/19/78/00/212197800.db2.gz JSVNEXQPQFQLQE-NRFANRHFSA-N 0 0 348.446 4.101 50 0 EIAARN O=C(C[C@H](c1ccc(F)cc1)n1cccc1)Nc1cccc(F)c1 ZINC000020997706 212196737 /nfs/dbraw/zinc/19/67/37/212196737.db2.gz CFYNZBRMMGSTHN-GOSISDBHSA-N 0 0 326.346 4.385 50 0 EIAARN COc1ccc([C@@H](CC(=O)Nc2ccccc2C)n2cccc2)cc1 ZINC000020997517 212196289 /nfs/dbraw/zinc/19/62/89/212196289.db2.gz FEDOWPGHLRPDFV-HXUWFJFHSA-N 0 0 334.419 4.423 50 0 EIAARN CC(=O)c1ccc(NC(=O)C[C@H](c2cccs2)n2cccc2)cc1 ZINC000020996957 212196350 /nfs/dbraw/zinc/19/63/50/212196350.db2.gz YCWGJOXYQWVRKE-QGZVFWFLSA-N 0 0 338.432 4.370 50 0 EIAARN CC[C@H](Sc1nc2ncccc2o1)C(=O)Nc1ccccc1C ZINC000020993821 212195002 /nfs/dbraw/zinc/19/50/02/212195002.db2.gz AMNPILRPKDMPOK-AWEZNQCLSA-N 0 0 327.409 4.041 50 0 EIAARN COc1ccc(-c2noc(NCc3ccc(Cl)cc3)n2)cc1OC ZINC000020930890 212189227 /nfs/dbraw/zinc/18/92/27/212189227.db2.gz MRDZXCWWHSQRDD-UHFFFAOYSA-N 0 0 345.786 4.019 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O ZINC000238937255 242952311 /nfs/dbraw/zinc/95/23/11/242952311.db2.gz USGKSIJYOHEDEV-QKMNUUQDSA-N 0 0 330.468 4.261 50 0 biogenic,in-vitro EIAARN CCOc1ccc(NC(=O)N2CCn3c(C)ccc3[C@H]2CC)cc1 ZINC000020900255 212185064 /nfs/dbraw/zinc/18/50/64/212185064.db2.gz VXRFPIWGDAXZGH-QGZVFWFLSA-N 0 0 327.428 4.194 50 0 EIAARN C=C1C(Nc2ccc(C)c(Cl)c2)=NS(=O)(=O)C1c1ccccc1 ZINC000020901101 212184103 /nfs/dbraw/zinc/18/41/03/212184103.db2.gz GLBHDRVMAPJOOJ-UHFFFAOYSA-N 0 0 346.839 4.233 50 0 EIAARN CN(C(=O)c1cccc(OCc2cccnc2)c1)c1ccccc1F ZINC000242106173 243009861 /nfs/dbraw/zinc/00/98/61/243009861.db2.gz WHOIMQKSGHLKQV-UHFFFAOYSA-N 0 0 336.366 4.076 50 0 EIAARN CNc1nc(CN2CCc3c4ccccc4[nH]c3[C@H]2C(C)C)cs1 ZINC000243914737 243032957 /nfs/dbraw/zinc/03/29/57/243032957.db2.gz BKECJOMOFOIXOO-GOSISDBHSA-N 0 0 340.496 4.422 50 0 EIAARN CCCn1c2ccc(NC(=O)c3ccc(C)cc3)cc2sc1=O ZINC000020853658 212177285 /nfs/dbraw/zinc/17/72/85/212177285.db2.gz GZCVLGQEQQGEFF-UHFFFAOYSA-N 0 0 326.421 4.034 50 0 EIAARN CCc1cc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)on1 ZINC000244718979 243067260 /nfs/dbraw/zinc/06/72/60/243067260.db2.gz LUMRCILMYXNINM-CQSZACIVSA-N 0 0 344.480 4.054 50 0 EIAARN Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2cnccn21 ZINC000020848367 212175353 /nfs/dbraw/zinc/17/53/53/212175353.db2.gz GICXTQUHLMRYBV-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN COc1cccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)c1 ZINC000020722752 212164006 /nfs/dbraw/zinc/16/40/06/212164006.db2.gz FGGPCWIBOWACQV-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN Cc1ccccc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020616048 212156391 /nfs/dbraw/zinc/15/63/91/212156391.db2.gz QXDLTSFJZFWEOH-UHFFFAOYSA-N 0 0 339.342 4.214 50 0 EIAARN CCc1cc(=O)oc2c1ccc1c2CN(C[C@H](C)c2ccccc2)CO1 ZINC000020610320 212154823 /nfs/dbraw/zinc/15/48/23/212154823.db2.gz ILPSLAONNXJLLQ-HNNXBMFYSA-N 0 0 349.430 4.311 50 0 biogenic EIAARN Cc1cccc(CCNc2ncnc3onc(-c4ccc(F)cc4)c32)c1 ZINC000020574476 212149127 /nfs/dbraw/zinc/14/91/27/212149127.db2.gz QCTOOGKMPJFMFR-UHFFFAOYSA-N 0 0 348.381 4.387 50 0 EIAARN CCc1ccc(CNC(=O)c2cc3ccc4cccnc4c3[nH]2)cc1 ZINC000020575469 212148637 /nfs/dbraw/zinc/14/86/37/212148637.db2.gz FFACTQUHIXIZMY-UHFFFAOYSA-N 0 0 329.403 4.209 50 0 EIAARN Cc1nc(C)c(-c2cccc(-c3ccn(C[C@H]4CCCO4)n3)c2)s1 ZINC000020514300 212142664 /nfs/dbraw/zinc/14/26/64/212142664.db2.gz FSAXPIJOPSSENJ-QGZVFWFLSA-N 0 0 339.464 4.469 50 0 EIAARN Cc1ccc(CCNc2c(=O)c(=O)c2-c2ccc(C(C)C)cc2)cc1 ZINC000020510252 212141302 /nfs/dbraw/zinc/14/13/02/212141302.db2.gz SGDKNFVAAIDTIO-UHFFFAOYSA-N 0 0 333.431 4.036 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3ccc(Cl)cc3)c1CO2 ZINC000020509983 212141081 /nfs/dbraw/zinc/14/10/81/212141081.db2.gz MXKOVIXJZLWCMX-UHFFFAOYSA-N 0 0 340.766 4.448 50 0 EIAARN Cn1ccc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc21 ZINC000248085005 243522069 /nfs/dbraw/zinc/52/20/69/243522069.db2.gz REKAKZULHZAHRZ-GOSISDBHSA-N 0 0 344.418 4.032 50 0 EIAARN C[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)C1(F)F ZINC000252484224 243777301 /nfs/dbraw/zinc/77/73/01/243777301.db2.gz FSBNXANLCVPOPG-KCXAZCMYSA-N 0 0 345.393 4.032 50 0 EIAARN COc1c2ccccc2oc1C(=O)NCCCn1ccc2ccccc21 ZINC000252509952 243841393 /nfs/dbraw/zinc/84/13/93/243841393.db2.gz YZAYADWIYKNBRU-UHFFFAOYSA-N 0 0 348.402 4.216 50 0 EIAARN C[C@@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000253409290 243919455 /nfs/dbraw/zinc/91/94/55/243919455.db2.gz ZYZBUARHBCRTFR-BUVFEPMLSA-N 0 0 335.447 4.109 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1noc2c1COc1ccccc1-2 ZINC000020484742 212137444 /nfs/dbraw/zinc/13/74/44/212137444.db2.gz LDUIQRMUXHBDDI-UHFFFAOYSA-N 0 0 326.739 4.140 50 0 EIAARN CCc1sc2[nH]c(C)nc(=O)c2c1-c1ccc(Br)cc1 ZINC000020345624 212121121 /nfs/dbraw/zinc/12/11/21/212121121.db2.gz ITDUNCDDLZJXEA-UHFFFAOYSA-N 0 0 349.253 4.285 50 0 EIAARN Fc1ccccc1CNc1ccc(I)cc1 ZINC000020360955 212122807 /nfs/dbraw/zinc/12/28/07/212122807.db2.gz HZUPTQRQTDLYDC-UHFFFAOYSA-N 0 0 327.140 4.042 50 0 EIAARN Cc1nnc(CN(C)Cc2nc(-c3cccc4ccccc43)oc2C)o1 ZINC000020210379 212112000 /nfs/dbraw/zinc/11/20/00/212112000.db2.gz KVPHXPXXTBXBMZ-UHFFFAOYSA-N 0 0 348.406 4.127 50 0 EIAARN CCn1c2ccccc2n(CCOc2cccc3ccccc32)c1=N ZINC000020169323 212108709 /nfs/dbraw/zinc/10/87/09/212108709.db2.gz VYCHPJGOEOXFPG-UHFFFAOYSA-N 0 0 331.419 4.174 50 0 EIAARN CCC(=O)c1ccc(Br)cc1NC(=O)Cc1ccccc1 ZINC000020102992 212100096 /nfs/dbraw/zinc/10/00/96/212100096.db2.gz BKGRYZVUDZENPP-UHFFFAOYSA-N 0 0 346.224 4.223 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2cc(C)nc3c(C)c(C)ccc23)on1 ZINC000077353389 216879254 /nfs/dbraw/zinc/87/92/54/216879254.db2.gz LGLYYTBJAOFLFP-GOSISDBHSA-N 0 0 349.434 4.434 50 0 EIAARN CCOc1ccc(S(=O)(=O)NCC2=CCCCC2)c2ccccc12 ZINC000019942784 212088264 /nfs/dbraw/zinc/08/82/64/212088264.db2.gz VTAHFWWNHBPOJK-UHFFFAOYSA-N 0 0 345.464 4.017 50 0 EIAARN CC(C)c1cccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1 ZINC000019910811 212082440 /nfs/dbraw/zinc/08/24/40/212082440.db2.gz HGILEILPWYTTDH-UHFFFAOYSA-N 0 0 340.814 4.296 50 0 EIAARN C[C@@H](NC(=O)Cc1cccc(F)c1)c1cccc(Br)c1 ZINC000019934992 212086293 /nfs/dbraw/zinc/08/62/93/212086293.db2.gz LUXDDZNFQVUBJZ-LLVKDONJSA-N 0 0 336.204 4.008 50 0 EIAARN CCc1ccc(N2C(=O)CS[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000019927369 212084993 /nfs/dbraw/zinc/08/49/93/212084993.db2.gz XNOICCLZDJFKJD-IBGZPJMESA-N 0 0 343.448 4.045 50 0 EIAARN CCOc1ccccc1[C@@H]1SCC(=O)N1c1ccc(CC)cc1 ZINC000019927355 212084661 /nfs/dbraw/zinc/08/46/61/212084661.db2.gz MOPGNQDVTLFLSP-IBGZPJMESA-N 0 0 327.449 4.426 50 0 EIAARN CCCCn1c2ccccc2n(CCCOc2ccc(F)cc2)c1=N ZINC000019900336 212080906 /nfs/dbraw/zinc/08/09/06/212080906.db2.gz KDPAKGRMCVOZIC-UHFFFAOYSA-N 0 0 341.430 4.331 50 0 EIAARN Cc1cc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)ccn1 ZINC000019853129 212076294 /nfs/dbraw/zinc/07/62/94/212076294.db2.gz XSKNDPFFNIYDCG-UHFFFAOYSA-N 0 0 326.403 4.364 50 0 EIAARN Cc1ccccc1[C@@H](NC(=O)c1cc(C(C)C)on1)c1ccncc1 ZINC000077440287 216906750 /nfs/dbraw/zinc/90/67/50/216906750.db2.gz PIMBPMKXZSPNTN-IBGZPJMESA-N 0 0 335.407 4.021 50 0 EIAARN CSc1ncccc1C(=O)N1CCC[C@H](c2ccccc2C)C1 ZINC000077505172 216923032 /nfs/dbraw/zinc/92/30/32/216923032.db2.gz HBTIFEMZSGHXIW-HNNXBMFYSA-N 0 0 326.465 4.132 50 0 EIAARN COc1cccc([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)c1 ZINC000077539028 216933535 /nfs/dbraw/zinc/93/35/35/216933535.db2.gz RMVINEQRSXTSLA-GOSISDBHSA-N 0 0 331.362 4.341 50 0 EIAARN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(N)ccc1OC ZINC000019736735 212059564 /nfs/dbraw/zinc/05/95/64/212059564.db2.gz BODINHZYVUDJBE-UONOGXRCSA-N 0 0 342.439 4.197 50 0 EIAARN Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000019736360 212057963 /nfs/dbraw/zinc/05/79/63/212057963.db2.gz CUNVJMDHZKRWQF-SNVBAGLBSA-N 0 0 339.222 4.290 50 0 EIAARN COc1cc2c(cc1OC)CN(Cc1c(F)cccc1Cl)CC2 ZINC000019634625 212053035 /nfs/dbraw/zinc/05/30/35/212053035.db2.gz AYYAORNHGUKXIE-UHFFFAOYSA-N 0 0 335.806 4.055 50 0 EIAARN CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O ZINC000019607836 212051931 /nfs/dbraw/zinc/05/19/31/212051931.db2.gz SNGGLDIUKOCGBQ-FOWTUZBSSA-N 0 0 332.469 4.111 50 0 EIAARN O=C(NCc1ccc(OC(F)F)cc1)c1cccc2ccccc21 ZINC000019601129 212051546 /nfs/dbraw/zinc/05/15/46/212051546.db2.gz IQWYLMUDUCNQQT-UHFFFAOYSA-N 0 0 327.330 4.371 50 0 EIAARN COc1ccc(-c2noc([C@@H]3C[C@H]3c3c(F)cccc3Cl)n2)cn1 ZINC000077968003 217007058 /nfs/dbraw/zinc/00/70/58/217007058.db2.gz IFWQTXUHUYKVOS-GHMZBOCLSA-N 0 0 345.761 4.204 50 0 EIAARN CN(C)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000019334721 212017186 /nfs/dbraw/zinc/01/71/86/212017186.db2.gz OVXPZMUENAAPPV-UHFFFAOYSA-N 0 0 349.478 4.456 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)o1 ZINC000043720380 213593629 /nfs/dbraw/zinc/59/36/29/213593629.db2.gz LWCCSFZLLTWRBO-GJZGRUSLSA-N 0 0 348.468 4.101 50 0 EIAARN O=C(C[C@@H]1CCCO1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000049621376 214023179 /nfs/dbraw/zinc/02/31/79/214023179.db2.gz BJDDJPUUVNONCG-UWJYYQICSA-N 0 0 335.403 4.208 50 0 EIAARN COc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1F ZINC000019310120 212013979 /nfs/dbraw/zinc/01/39/79/212013979.db2.gz WVMYDBQQALVNPE-UHFFFAOYSA-N 0 0 348.424 4.201 50 0 EIAARN Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc(F)cc(F)c3)o2)c1 ZINC000019297259 212013309 /nfs/dbraw/zinc/01/33/09/212013309.db2.gz FYJGYDPJIOHBRS-NSHDSACASA-N 0 0 344.317 4.241 50 0 EIAARN CN1CCCN(C(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000078150545 217026778 /nfs/dbraw/zinc/02/67/78/217026778.db2.gz IIWFNULGWAGPST-UHFFFAOYSA-N 0 0 334.341 4.192 50 0 EIAARN O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccccc1C(F)(F)F ZINC000019210134 212004303 /nfs/dbraw/zinc/00/43/03/212004303.db2.gz MZYRXHKKQUJFEM-UHFFFAOYSA-N 0 0 349.308 4.051 50 0 EIAARN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000019148625 212001925 /nfs/dbraw/zinc/00/19/25/212001925.db2.gz CZYFAZCRWVESMM-INIZCTEOSA-N 0 0 341.476 4.209 50 0 EIAARN Cc1cn(-c2ccccc2)nc1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000078549801 217072157 /nfs/dbraw/zinc/07/21/57/217072157.db2.gz DIPWWSVHBHOKCT-UHFFFAOYSA-N 0 0 349.409 4.380 50 0 EIAARN Cc1c2ccccc2sc1-c1csc(CN2CCOCC2)n1 ZINC000078594718 217081386 /nfs/dbraw/zinc/08/13/86/217081386.db2.gz QCXBEULBTWAWDX-UHFFFAOYSA-N 0 0 330.478 4.165 50 0 EIAARN CC[C@H](NC(=O)c1cc(=O)c2cc(C)ccc2o1)c1ccc(C)cc1 ZINC000017841641 211973417 /nfs/dbraw/zinc/97/34/17/211973417.db2.gz WOZHZIFEIWFGGB-KRWDZBQOSA-N 0 0 335.403 4.291 50 0 EIAARN O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(Br)cc1 ZINC000078826188 217129720 /nfs/dbraw/zinc/12/97/20/217129720.db2.gz IWDDZAMBFVGDRV-QGZVFWFLSA-N 0 0 344.252 4.200 50 0 EIAARN Cc1ccc(C=C2S[C@H](N3CCc4ccccc4C3)NC2=O)cc1 ZINC000016996389 211945268 /nfs/dbraw/zinc/94/52/68/211945268.db2.gz OFZPNSKIPYIDCU-YWFITGJYSA-N 0 0 336.460 4.381 50 0 EIAARN Cc1nc(-c2cccnc2)sc1C(=O)NC1CCCCCCC1 ZINC000016652283 211926684 /nfs/dbraw/zinc/92/66/84/211926684.db2.gz LZDKCKJNCGZWCO-UHFFFAOYSA-N 0 0 329.469 4.356 50 0 EIAARN CO[C@@H](C)c1nc(C[S@](=O)Cc2cccc3ccccc32)cs1 ZINC000078987588 217166498 /nfs/dbraw/zinc/16/64/98/217166498.db2.gz JGAZZQMAERCXLH-NPMABZOXSA-N 0 0 345.489 4.453 50 0 EIAARN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2=CCCCC2)c1 ZINC000078997242 217170035 /nfs/dbraw/zinc/17/00/35/217170035.db2.gz ILXAJXQCIWYVKP-UHFFFAOYSA-N 0 0 349.496 4.229 50 0 EIAARN CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)s1 ZINC000016605483 211919452 /nfs/dbraw/zinc/91/94/52/211919452.db2.gz XFSFIVDWIWJIFN-UHFFFAOYSA-N 0 0 342.464 4.189 50 0 EIAARN CC1(C)OC(=O)c2c1ccnc2N[C@@H](c1ccccc1)c1ccccn1 ZINC000079002339 217171803 /nfs/dbraw/zinc/17/18/03/217171803.db2.gz BDEZQVLANNTWIO-SFHVURJKSA-N 0 0 345.402 4.084 50 0 EIAARN CCOC(=O)c1cnc2cc(C)c(Br)cc2c1Cl ZINC000079016482 217174973 /nfs/dbraw/zinc/17/49/73/217174973.db2.gz VQGDJWMYDKJPTQ-UHFFFAOYSA-N 0 0 328.593 4.136 50 0 EIAARN CSc1ccc(CN(C)[C@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000079090588 217190236 /nfs/dbraw/zinc/19/02/36/217190236.db2.gz CSXYOBJXAWLZHL-CYBMUJFWSA-N 0 0 340.452 4.047 50 0 EIAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2ncsc2c1 ZINC000016301362 211895268 /nfs/dbraw/zinc/89/52/68/211895268.db2.gz NQJXVJHHERBCEM-UHFFFAOYSA-N 0 0 336.338 4.245 50 0 EIAARN COCc1ccccc1NC(=O)Nc1ccccc1Br ZINC000079101142 217193016 /nfs/dbraw/zinc/19/30/16/217193016.db2.gz KDYHWPGNYHYBHH-UHFFFAOYSA-N 0 0 335.201 4.240 50 0 EIAARN Cc1nc(Nc2ccccc2)nc2c1[nH]c(=S)n2-c1ccccc1 ZINC000016266330 211893085 /nfs/dbraw/zinc/89/30/85/211893085.db2.gz YWGOPKFYTACAES-UHFFFAOYSA-N 0 0 333.420 4.156 50 0 EIAARN CC(C)n1cc(CCCC(=O)NCC2CCOCC2)c2ccccc21 ZINC000079192893 217200564 /nfs/dbraw/zinc/20/05/64/217200564.db2.gz ANIUDCJDPIYXSG-UHFFFAOYSA-N 0 0 342.483 4.088 50 0 biogenic EIAARN CCOC[C@H]1CCCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 ZINC000079306204 217205768 /nfs/dbraw/zinc/20/57/68/217205768.db2.gz XDIUHBKNPMYFPL-CABCVRRESA-N 0 0 336.501 4.391 50 0 EIAARN Cc1c(NC(=O)NCc2cc(C(C)C)no2)cccc1OC(F)F ZINC000079350483 217212213 /nfs/dbraw/zinc/21/22/13/217212213.db2.gz VUPREDHDXLEGNQ-UHFFFAOYSA-N 0 0 339.342 4.030 50 0 EIAARN CC(C)n1cc(CCCC(=O)NCc2ccncc2)c2ccccc21 ZINC000079492882 217234054 /nfs/dbraw/zinc/23/40/54/217234054.db2.gz IFUOWIOMAHLTPQ-UHFFFAOYSA-N 0 0 335.451 4.256 50 0 EIAARN COCCn1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc21 ZINC000079501637 217235293 /nfs/dbraw/zinc/23/52/93/217235293.db2.gz VXWLPQSNGHLGBJ-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 EIAARN C[C@H](NC(=O)Cc1scnc1-c1cccs1)c1ccccc1 ZINC000015840249 211860320 /nfs/dbraw/zinc/86/03/20/211860320.db2.gz QMBMNTDPZALJIL-LBPRGKRZSA-N 0 0 328.462 4.292 50 0 EIAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000015836492 211859259 /nfs/dbraw/zinc/85/92/59/211859259.db2.gz RDQXCCDUDCJBPI-KRWDZBQOSA-N 0 0 333.453 4.004 50 0 EIAARN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2F)cc1C ZINC000015801821 211854909 /nfs/dbraw/zinc/85/49/09/211854909.db2.gz WKGXZEWVUNZIRV-GFCCVEGCSA-N 0 0 349.789 4.280 50 0 EIAARN COc1cccc(-c2nnc(SCCOc3ccc(C)cc3)o2)c1 ZINC000015669904 211838101 /nfs/dbraw/zinc/83/81/01/211838101.db2.gz MIFGOSSEUZIEBL-UHFFFAOYSA-N 0 0 342.420 4.225 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)o1 ZINC000015640594 211837702 /nfs/dbraw/zinc/83/77/02/211837702.db2.gz YZVOLGAAFBXMOG-UHFFFAOYSA-N 0 0 335.285 4.045 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000015516997 211827627 /nfs/dbraw/zinc/82/76/27/211827627.db2.gz QBROWFRTRYTENB-UHFFFAOYSA-N 0 0 342.826 4.336 50 0 EIAARN CCN1c2ccc(Br)cc2[C@H](Cc2cccs2)C1=O ZINC000015018261 211790188 /nfs/dbraw/zinc/79/01/88/211790188.db2.gz OJTQQQPCIYDRKQ-ZDUSSCGKSA-N 0 0 336.254 4.203 50 0 EIAARN CCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1OCC ZINC000015003971 211787284 /nfs/dbraw/zinc/78/72/84/211787284.db2.gz TWLAOTYVJCWXAB-UHFFFAOYSA-N 0 0 335.350 4.405 50 0 EIAARN ClC1(Cl)C[C@H]1CSc1nc2ccccc2c(NC2CC2)n1 ZINC000014854456 211768378 /nfs/dbraw/zinc/76/83/78/211768378.db2.gz SNUUNOIIBYJYLY-VIFPVBQESA-N 0 0 340.279 4.490 50 0 EIAARN O=C(COc1ccc2ccccc2c1)NCC1(c2ccccc2)CCC1 ZINC000014709453 211755679 /nfs/dbraw/zinc/75/56/79/211755679.db2.gz KIFMMJAPMLXMLO-UHFFFAOYSA-N 0 0 345.442 4.457 50 0 EIAARN Cc1cc(NCc2ccccc2)n2nc(-c3ccc(Cl)cc3)nc2n1 ZINC000014610322 211748969 /nfs/dbraw/zinc/74/89/69/211748969.db2.gz UJDVFANAXWBUAC-UHFFFAOYSA-N 0 0 349.825 4.365 50 0 EIAARN Cc1cn2cc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)ccc2n1 ZINC000082134146 217475100 /nfs/dbraw/zinc/47/51/00/217475100.db2.gz UMYJGXFLXAFFDI-GOSISDBHSA-N 0 0 333.435 4.053 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000014124825 211686641 /nfs/dbraw/zinc/68/66/41/211686641.db2.gz POZIODJMFLOPCX-NYYWCZLTSA-N 0 0 336.416 4.471 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000014109359 211683912 /nfs/dbraw/zinc/68/39/12/211683912.db2.gz YXFLVBFGLWQYFI-DYVFJYSZSA-N 0 0 345.439 4.255 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1cccs1 ZINC000014069337 211676180 /nfs/dbraw/zinc/67/61/80/211676180.db2.gz HZOZWFGOTOTLBH-NSHDSACASA-N 0 0 345.855 4.387 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2occc21 ZINC000084139862 217578944 /nfs/dbraw/zinc/57/89/44/217578944.db2.gz SXHQZKIYUHVSJJ-HNNXBMFYSA-N 0 0 333.815 4.284 50 0 EIAARN O=C(NCC[C@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000085436444 217667816 /nfs/dbraw/zinc/66/78/16/217667816.db2.gz JXZBTCPWADFZRD-NRFANRHFSA-N 0 0 331.415 4.207 50 0 EIAARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)c1 ZINC000013714080 211617556 /nfs/dbraw/zinc/61/75/56/211617556.db2.gz ARYICECFIFQCLU-UHFFFAOYSA-N 0 0 348.446 4.416 50 0 EIAARN Cc1ccnc(-c2ccc(NCc3noc(-c4ccccc4)n3)cc2)n1 ZINC000086208596 217692724 /nfs/dbraw/zinc/69/27/24/217692724.db2.gz ZRCKPXCSDAIZBZ-UHFFFAOYSA-N 0 0 343.390 4.114 50 0 EIAARN COCCN(C(=S)Nc1ccc(C)cc1C)[C@H](C)c1ccco1 ZINC000013543369 211574007 /nfs/dbraw/zinc/57/40/07/211574007.db2.gz ZZUQNIQGUAJCHE-OAHLLOKOSA-N 0 0 332.469 4.303 50 0 EIAARN Cc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(Cl)cc2)n1 ZINC000013495363 211567904 /nfs/dbraw/zinc/56/79/04/211567904.db2.gz IRPYFXYTNNYLFI-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN COc1ccc(-c2noc(CNc3ccc(F)c(Cl)c3)n2)cc1 ZINC000013367126 211551151 /nfs/dbraw/zinc/55/11/51/211551151.db2.gz UHCQGOMXBKRSGU-UHFFFAOYSA-N 0 0 333.750 4.150 50 0 EIAARN COC(=O)c1ccc(/C=C/c2nc3ccc(OC)cc3s2)cc1 ZINC000013141410 211527863 /nfs/dbraw/zinc/52/78/63/211527863.db2.gz GHDHQANVVUBXRM-BJMVGYQFSA-N 0 0 325.389 4.262 50 0 EIAARN C[C@H](NC(=O)CN1CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000013040052 211516255 /nfs/dbraw/zinc/51/62/55/211516255.db2.gz HJXGQWYQZOKGBP-LBPRGKRZSA-N 0 0 349.261 4.233 50 0 EIAARN CSCc1ccnc(NC(=O)c2sccc2Br)c1 ZINC000089493768 217805455 /nfs/dbraw/zinc/80/54/55/217805455.db2.gz WJTQDACLSCFVKJ-UHFFFAOYSA-N 0 0 343.271 4.021 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1nc2ccccc2s1 ZINC000089522689 217808651 /nfs/dbraw/zinc/80/86/51/217808651.db2.gz BSEJMCBQUAQCHG-ZDUSSCGKSA-N 0 0 341.440 4.005 50 0 EIAARN O=C(NCCc1cccc2cccnc21)c1occc1-c1ccccc1 ZINC000013008967 211511108 /nfs/dbraw/zinc/51/11/08/211511108.db2.gz MZIBEMWQVIZUBV-UHFFFAOYSA-N 0 0 342.398 4.467 50 0 EIAARN C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 ZINC000013002310 211507860 /nfs/dbraw/zinc/50/78/60/211507860.db2.gz GAMHDKZCSZFEKC-CQSZACIVSA-N 0 0 338.432 4.213 50 0 EIAARN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccc(Cl)cc1 ZINC000012999142 211506667 /nfs/dbraw/zinc/50/66/67/211506667.db2.gz HVVVINKLVTVHIP-JTQLQIEISA-N 0 0 347.773 4.187 50 0 EIAARN Cc1cc(N2CCCC[C@@H]2c2ccc(C(C)C)cc2)n2ncnc2n1 ZINC000089598847 217817368 /nfs/dbraw/zinc/81/73/68/217817368.db2.gz UZXBONXWQKKWGK-GOSISDBHSA-N 0 0 335.455 4.288 50 0 EIAARN COc1ccc(CN(C)C(=O)c2oc3ccccc3c2C)cc1F ZINC000012993073 211503403 /nfs/dbraw/zinc/50/34/03/211503403.db2.gz CIGMDQVONNHZHR-UHFFFAOYSA-N 0 0 327.355 4.161 50 0 EIAARN COc1ccc2cc(CN(C)C(=O)NCc3ccccc3)ccc2c1 ZINC000012994531 211502688 /nfs/dbraw/zinc/50/26/88/211502688.db2.gz GVBKIDCHQOSCCT-UHFFFAOYSA-N 0 0 334.419 4.190 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccccc1C ZINC000012985454 211502197 /nfs/dbraw/zinc/50/21/97/211502197.db2.gz LBYJZIJURJAAAC-CYBMUJFWSA-N 0 0 337.448 4.313 50 0 EIAARN Cc1ccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000012985292 211501402 /nfs/dbraw/zinc/50/14/02/211501402.db2.gz OLAZSNDDWPWOKN-LJQANCHMSA-N 0 0 329.827 4.295 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 ZINC000012977925 211497428 /nfs/dbraw/zinc/49/74/28/211497428.db2.gz ASTLDBSGWNGJAE-UHFFFAOYSA-N 0 0 344.480 4.194 50 0 EIAARN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1 ZINC000012872590 211474044 /nfs/dbraw/zinc/47/40/44/211474044.db2.gz ARCYTGOXKPWERF-INIZCTEOSA-N 0 0 335.856 4.174 50 0 EIAARN O=c1cnc2ccccc2n1Cc1ccccc1Oc1ccccc1 ZINC000012794313 211458518 /nfs/dbraw/zinc/45/85/18/211458518.db2.gz JQRHEUNVYMGHAK-UHFFFAOYSA-N 0 0 328.371 4.237 50 0 EIAARN NC(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000012747119 211444238 /nfs/dbraw/zinc/44/42/38/211444238.db2.gz KPMVXPDDZYZEQQ-UHFFFAOYSA-N 0 0 328.721 4.070 50 0 EIAARN Cc1nc2cc(NC(=O)COc3ccc(Cl)cc3C)ccc2o1 ZINC000012748866 211444337 /nfs/dbraw/zinc/44/43/37/211444337.db2.gz NJBGCXMOJLHCBM-UHFFFAOYSA-N 0 0 330.771 4.116 50 0 EIAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc[nH]c1=S ZINC000012748579 211443563 /nfs/dbraw/zinc/44/35/63/211443563.db2.gz CPVJIORHPIDGRX-UHFFFAOYSA-N 0 0 342.420 4.428 50 0 EIAARN O=C(Nc1ccc(C(=O)Nc2cccc(F)c2)cc1)c1cccs1 ZINC000012782494 211454636 /nfs/dbraw/zinc/45/46/36/211454636.db2.gz ZHMRQNIUBGIVRZ-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN COc1ccc(-c2nc(COC(=O)[C@H]3CC=CCC3)cs2)cc1 ZINC000012774917 211452668 /nfs/dbraw/zinc/45/26/68/211452668.db2.gz GJPOKUIHUWWLPU-AWEZNQCLSA-N 0 0 329.421 4.218 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccccc3C)c12 ZINC000012755600 211447351 /nfs/dbraw/zinc/44/73/51/211447351.db2.gz ABAFGWFXJDIPQU-LBPRGKRZSA-N 0 0 335.407 4.208 50 0 EIAARN COc1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000012758285 211446756 /nfs/dbraw/zinc/44/67/56/211446756.db2.gz WZKVRFNRVQORLJ-UHFFFAOYSA-N 0 0 342.395 4.139 50 0 EIAARN O=C(NCc1ccccc1OC(F)F)c1ccc2c(c1)CCCC2 ZINC000012757763 211446314 /nfs/dbraw/zinc/44/63/14/211446314.db2.gz YIMWRWGWRQSKRS-UHFFFAOYSA-N 0 0 331.362 4.097 50 0 EIAARN Cc1ccc(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)s1 ZINC000012585957 211416308 /nfs/dbraw/zinc/41/63/08/211416308.db2.gz CQKDVHVYBHTIAC-UHFFFAOYSA-N 0 0 342.395 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ZINC000009321925 211067606 /nfs/dbraw/zinc/06/76/06/211067606.db2.gz VJZSDDZGCJEEHN-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN Fc1ccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)cc1 ZINC000009289361 211061222 /nfs/dbraw/zinc/06/12/22/211061222.db2.gz KDYYAJBEVGKSQL-UHFFFAOYSA-N 0 0 344.802 4.096 50 0 EIAARN Cc1ccc(-c2noc(CCCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000009196448 211052148 /nfs/dbraw/zinc/05/21/48/211052148.db2.gz AQXVEUJEKRIGGT-UHFFFAOYSA-N 0 0 339.370 4.146 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(CC)cc2)c1 ZINC000009230874 211056431 /nfs/dbraw/zinc/05/64/31/211056431.db2.gz IJTKSUMQNZWRRB-AWEZNQCLSA-N 0 0 340.423 4.004 50 0 EIAARN COc1ccccc1NC(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000009112980 211041496 /nfs/dbraw/zinc/04/14/96/211041496.db2.gz ZGAHEWJJKMDROE-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN Cc1cccc(CCCOC(=O)c2cc3ccccc3c(Cl)n2)n1 ZINC000095350023 218283598 /nfs/dbraw/zinc/28/35/98/218283598.db2.gz PBUUGSGWWUFXNF-UHFFFAOYSA-N 0 0 340.810 4.381 50 0 EIAARN Cc1ccc(OCCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000009154970 211045557 /nfs/dbraw/zinc/04/55/57/211045557.db2.gz ZUHBXRVWACSKHB-IBGZPJMESA-N 0 0 349.434 4.004 50 0 EIAARN C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4cccc(F)c4)cc3c2C1 ZINC000095349375 218284068 /nfs/dbraw/zinc/28/40/68/218284068.db2.gz FXOCMTWKZPXAKV-ZDUSSCGKSA-N 0 0 336.410 4.362 50 0 EIAARN Cc1ccc2onc(CNC(=O)Nc3ccc(F)c(Cl)c3)c2c1 ZINC000009116990 211043420 /nfs/dbraw/zinc/04/34/20/211043420.db2.gz HPMIIRXPZDBYPW-UHFFFAOYSA-N 0 0 333.750 4.250 50 0 EIAARN CSc1ccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000009012824 211031810 /nfs/dbraw/zinc/03/18/10/211031810.db2.gz SMAWVGLAWFGHJC-OAHLLOKOSA-N 0 0 335.432 4.273 50 0 EIAARN CSc1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000009012823 211031425 /nfs/dbraw/zinc/03/14/25/211031425.db2.gz SMAWVGLAWFGHJC-HNNXBMFYSA-N 0 0 335.432 4.273 50 0 EIAARN Cc1nc2ccc(C(=O)N(C)Cc3csc(C(C)C)n3)cc2s1 ZINC000095367719 218299932 /nfs/dbraw/zinc/29/99/32/218299932.db2.gz NVXHJZDDHJYIOC-UHFFFAOYSA-N 0 0 345.493 4.457 50 0 EIAARN Cc1ccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)nc1 ZINC000008993667 211030470 /nfs/dbraw/zinc/03/04/70/211030470.db2.gz KRTCTDQHJWGUBK-UHFFFAOYSA-N 0 0 334.404 4.043 50 0 EIAARN Cc1nc2cc(F)cc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)c2nc1C ZINC000095364755 218297704 /nfs/dbraw/zinc/29/77/04/218297704.db2.gz BIZQXKIHXMVZRG-KSSFIOAISA-N 0 0 341.430 4.181 50 0 EIAARN Cc1nc(S[C@H](C)C(=O)c2c[nH]c3ccccc32)nc(C)c1C ZINC000008987784 211027283 /nfs/dbraw/zinc/02/72/83/211027283.db2.gz CCJBYPRHWACBDY-CYBMUJFWSA-N 0 0 325.437 4.247 50 0 EIAARN COc1ccc2cc(CN(C)C(=O)NCc3ccc(C)cc3)ccc2c1 ZINC000008985874 211027353 /nfs/dbraw/zinc/02/73/53/211027353.db2.gz PGPCTQYFQUJGSI-UHFFFAOYSA-N 0 0 348.446 4.498 50 0 EIAARN COc1ccc(CCNC(=O)C2CCC(C(C)(C)C)CC2)cc1OC ZINC000008924139 211018730 /nfs/dbraw/zinc/01/87/30/211018730.db2.gz AYVIXTTYWSMONP-UHFFFAOYSA-N 0 0 347.499 4.215 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccccc2Cl)c2c1[C@H](C)CC2=O ZINC000008923205 211018257 /nfs/dbraw/zinc/01/82/57/211018257.db2.gz MJPFFDDSMXSJTC-GFCCVEGCSA-N 0 0 343.810 4.356 50 0 EIAARN Cc1occc1C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000008907761 211017459 /nfs/dbraw/zinc/01/74/59/211017459.db2.gz BNYHZXOZBYNJLP-UHFFFAOYSA-N 0 0 335.319 4.150 50 0 EIAARN O=C(Nc1c(-c2ccccc2)nc2ncccn21)OCc1ccccc1 ZINC000008845484 211010940 /nfs/dbraw/zinc/01/09/40/211010940.db2.gz ANXCPDCAHALBAM-UHFFFAOYSA-N 0 0 344.374 4.145 50 0 EIAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000008830908 211009223 /nfs/dbraw/zinc/00/92/23/211009223.db2.gz YROGHGZLZANYLJ-UHFFFAOYSA-N 0 0 326.783 4.233 50 0 EIAARN Cc1cccc(-c2nnc(NC(=O)c3cccc(Cl)c3)s2)c1 ZINC000008790794 211008085 /nfs/dbraw/zinc/00/80/85/211008085.db2.gz BETSQJXIAIVNDV-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1cnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 ZINC000008852807 211012436 /nfs/dbraw/zinc/01/24/36/211012436.db2.gz KCBIQFYBPKZSIL-UHFFFAOYSA-N 0 0 343.433 4.018 50 0 EIAARN Cc1cc(CSc2nc(C(F)(F)F)nc3ccccc32)no1 ZINC000008777040 211005310 /nfs/dbraw/zinc/00/53/10/211005310.db2.gz WNHSBDKWLCBDBX-UHFFFAOYSA-N 0 0 325.315 4.237 50 0 EIAARN Cc1nc(SCc2ncc(C(C)C)o2)n(C[C@H]2CCCO2)c1C ZINC000095396608 218328768 /nfs/dbraw/zinc/32/87/68/218328768.db2.gz NNGGKSSFKCRPBD-CQSZACIVSA-N 0 0 335.473 4.083 50 0 EIAARN CN(C(=O)C1CC1)[C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000095396935 218328947 /nfs/dbraw/zinc/32/89/47/218328947.db2.gz HIQCZRCZIUOGOU-MRXNPFEDSA-N 0 0 335.234 4.346 50 0 EIAARN Cc1cc(NC(=O)NC2(C)CCCCC2)ccc1OC1CCOCC1 ZINC000095399560 218332637 /nfs/dbraw/zinc/33/26/37/218332637.db2.gz PGCBJNHSGCGULG-UHFFFAOYSA-N 0 0 346.471 4.397 50 0 EIAARN C[C@H](Oc1ccccc1)c1nnc(NC(=O)Nc2ccccc2)s1 ZINC000008739652 210996594 /nfs/dbraw/zinc/99/65/94/210996594.db2.gz LJPGIBCFTXHGPZ-LBPRGKRZSA-N 0 0 340.408 4.322 50 0 EIAARN CCOC(=O)c1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C ZINC000008730053 210993459 /nfs/dbraw/zinc/99/34/59/210993459.db2.gz LCWBJARQUMMJMT-UHFFFAOYSA-N 0 0 333.306 4.453 50 0 in-vitro EIAARN FC(F)(F)c1nnc2ccc(Oc3cc(Cl)ccc3Cl)nn21 ZINC000008724044 210991802 /nfs/dbraw/zinc/99/18/02/210991802.db2.gz SEMVWWXCOFOYOR-UHFFFAOYSA-N 0 0 349.099 4.242 50 0 EIAARN C[C@@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)Nc1cccnc1 ZINC000095403838 218338646 /nfs/dbraw/zinc/33/86/46/218338646.db2.gz FTUAWCHYAGFVPG-HNNXBMFYSA-N 0 0 332.407 4.369 50 0 EIAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccccc1C ZINC000008587019 210970097 /nfs/dbraw/zinc/97/00/97/210970097.db2.gz DHHHONGAUOAGCT-HXUWFJFHSA-N 0 0 333.435 4.076 50 0 EIAARN C[C@H](SCc1nccn1C(F)F)c1nc(-c2ccccc2)no1 ZINC000095418083 218357929 /nfs/dbraw/zinc/35/79/29/218357929.db2.gz GVTCRQFCZWTLCV-JTQLQIEISA-N 0 0 336.367 4.323 50 0 EIAARN CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000095414606 218352492 /nfs/dbraw/zinc/35/24/92/218352492.db2.gz UXJNOCLXWKFSLI-SFHVURJKSA-N 0 0 332.444 4.020 50 0 EIAARN O=C(Nc1cccc(NC(=O)N2CCCCCC2)c1)C1=CCCC1 ZINC000095414988 218353434 /nfs/dbraw/zinc/35/34/34/218353434.db2.gz KARQKXHALVGNOG-UHFFFAOYSA-N 0 0 327.428 4.143 50 0 EIAARN COc1ccc(C(=O)[C@H]2CCCN2c2nc3ccccc3s2)cc1 ZINC000095427467 218369038 /nfs/dbraw/zinc/36/90/38/218369038.db2.gz NPJGJUJDIDHNRJ-MRXNPFEDSA-N 0 0 338.432 4.157 50 0 EIAARN Cc1c(COC(C)C)cccc1NC(=O)N(CC(F)F)C(C)C ZINC000095426831 218369098 /nfs/dbraw/zinc/36/90/98/218369098.db2.gz BAFVSFXYDMVPBB-UHFFFAOYSA-N 0 0 328.403 4.427 50 0 EIAARN CN(C(=O)c1cc2ccccc2s1)[C@H](CCO)c1ccccc1 ZINC000095426762 218369485 /nfs/dbraw/zinc/36/94/85/218369485.db2.gz OTIBNDRZLGDPHB-MRXNPFEDSA-N 0 0 325.433 4.097 50 0 EIAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008477668 210955263 /nfs/dbraw/zinc/95/52/63/210955263.db2.gz OCXPNNNIRQCNEN-CQSZACIVSA-N 0 0 325.742 4.414 50 0 EIAARN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000095423623 218365849 /nfs/dbraw/zinc/36/58/49/218365849.db2.gz NBFIHKAHJDGCBP-QWHCGFSZSA-N 0 0 344.484 4.147 50 0 EIAARN O=C(c1ccc(Oc2ccccc2)nc1)N(CC1CC1)c1cccnc1 ZINC000095424025 218365943 /nfs/dbraw/zinc/36/59/43/218365943.db2.gz MAILTWIYUYBIHR-UHFFFAOYSA-N 0 0 345.402 4.326 50 0 EIAARN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000095423625 218366384 /nfs/dbraw/zinc/36/63/84/218366384.db2.gz NBFIHKAHJDGCBP-CHWSQXEVSA-N 0 0 344.484 4.147 50 0 EIAARN COc1ccc(NC(=O)c2ccccc2SC(C)C)c(OC)c1 ZINC000008499956 210958909 /nfs/dbraw/zinc/95/89/09/210958909.db2.gz RGPHONBSLPUHET-UHFFFAOYSA-N 0 0 331.437 4.457 50 0 EIAARN CC(=O)N(Cc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1)C(C)C ZINC000095429196 218372062 /nfs/dbraw/zinc/37/20/62/218372062.db2.gz MJBIKXWFFKXVEB-UHFFFAOYSA-N 0 0 342.487 4.076 50 0 EIAARN CC(C)(C)c1ncc(CNc2ccccc2SCCC(N)=O)s1 ZINC000095429042 218372073 /nfs/dbraw/zinc/37/20/73/218372073.db2.gz MVDQSJBXOIJVMZ-UHFFFAOYSA-N 0 0 349.525 4.020 50 0 EIAARN CN(Cc1ccccc1NCc1cccnc1)C(=O)c1cccs1 ZINC000095429254 218372147 /nfs/dbraw/zinc/37/21/47/218372147.db2.gz PMOLCMZOALUTNC-UHFFFAOYSA-N 0 0 337.448 4.027 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N(C[C@H](C)O)C(C)C)c(F)c2)cc1 ZINC000095432291 218375071 /nfs/dbraw/zinc/37/50/71/218375071.db2.gz YLENQLOBTKOMMI-HNNXBMFYSA-N 0 0 329.415 4.033 50 0 EIAARN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1cccc(C(=O)N(C)C)c1 ZINC000095455780 218399388 /nfs/dbraw/zinc/39/93/88/218399388.db2.gz VBAOQHYUDALQEP-CABCVRRESA-N 0 0 340.442 4.035 50 0 EIAARN CC(C)n1ccc2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc21 ZINC000095480591 218411576 /nfs/dbraw/zinc/41/15/76/218411576.db2.gz XZJOGGZOVHDFMM-NRFANRHFSA-N 0 0 348.446 4.436 50 0 EIAARN Cn1c(SCc2nc3ccccc3o2)nnc1-c1ccccc1F ZINC000008132713 210900915 /nfs/dbraw/zinc/90/09/15/210900915.db2.gz JTDKXSCIBRGNGK-UHFFFAOYSA-N 0 0 340.383 4.055 50 0 EIAARN Cc1cc2c(cc1Cl)N(C(=O)Nc1ccnc3ccccc31)CC2 ZINC000007997417 210880966 /nfs/dbraw/zinc/88/09/66/210880966.db2.gz BPVGSWDWIRIUME-UHFFFAOYSA-N 0 0 337.810 4.213 50 0 EIAARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCCC1 ZINC000007989531 210878237 /nfs/dbraw/zinc/87/82/37/210878237.db2.gz PMRGCTUDWSSZPY-CQSZACIVSA-N 0 0 348.796 4.418 50 0 EIAARN Cc1[nH]c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2c1C ZINC000007982740 210875632 /nfs/dbraw/zinc/87/56/32/210875632.db2.gz BHIWAJGNALXCCW-UHFFFAOYSA-N 0 0 347.374 4.192 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)cc1C ZINC000007942222 210867529 /nfs/dbraw/zinc/86/75/29/210867529.db2.gz DRMPBVVIRXMQSG-HXUWFJFHSA-N 0 0 334.419 4.206 50 0 EIAARN O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccccc1OC1CCCC1 ZINC000095957464 218464626 /nfs/dbraw/zinc/46/46/26/218464626.db2.gz ARSZKYKWTGYRED-UHFFFAOYSA-N 0 0 348.406 4.045 50 0 EIAARN CC[C@H](CC1CCCC1)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000095959711 218465217 /nfs/dbraw/zinc/46/52/17/218465217.db2.gz FWWMRJAAQSOPBC-OAHLLOKOSA-N 0 0 330.428 4.188 50 0 EIAARN CCc1ccc([C@@H]2CCCCCN2C(=O)CCc2ccncc2)o1 ZINC000095960762 218466412 /nfs/dbraw/zinc/46/64/12/218466412.db2.gz CHTDPCOXJUTNMW-SFHVURJKSA-N 0 0 326.440 4.314 50 0 EIAARN C[C@H](CNC(=O)c1csc(-c2ccsc2)n1)c1ccccc1 ZINC000007963123 210870754 /nfs/dbraw/zinc/87/07/54/210870754.db2.gz NLVRMMNMSJTGHQ-GFCCVEGCSA-N 0 0 328.462 4.405 50 0 EIAARN O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1CCc1ccccc1 ZINC000007884663 210860036 /nfs/dbraw/zinc/86/00/36/210860036.db2.gz GGLAQBKGIDWSBK-NRFANRHFSA-N 0 0 344.414 4.201 50 0 EIAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2)cc1 ZINC000007883884 210860118 /nfs/dbraw/zinc/86/01/18/210860118.db2.gz XMAWHXOTXOUJSL-FQEVSTJZSA-N 0 0 346.386 4.172 50 0 EIAARN O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1C1CC1 ZINC000007886289 210859735 /nfs/dbraw/zinc/85/97/35/210859735.db2.gz QKUWOGOLEUBRFD-INIZCTEOSA-N 0 0 343.224 4.178 50 0 EIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OC(F)F ZINC000007886438 210859477 /nfs/dbraw/zinc/85/94/77/210859477.db2.gz AAIIVZCHIAKPDE-INIZCTEOSA-N 0 0 332.350 4.265 50 0 EIAARN COc1ccc(C)cc1CSc1nnc(-c2ccc(F)cc2)o1 ZINC000007829810 210853276 /nfs/dbraw/zinc/85/32/76/210853276.db2.gz QMVPBKVRAIPFSY-UHFFFAOYSA-N 0 0 330.384 4.485 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)cc1C ZINC000007808338 210851252 /nfs/dbraw/zinc/85/12/52/210851252.db2.gz OQNXFRZBFXWFTN-UHFFFAOYSA-N 0 0 327.384 4.213 50 0 EIAARN c1c(CSc2ccc3c(c2)OCCO3)noc1-c1ccccc1 ZINC000007695879 210834405 /nfs/dbraw/zinc/83/44/05/210834405.db2.gz ZQJPJFBTBPJWBN-UHFFFAOYSA-N 0 0 325.389 4.405 50 0 EIAARN COc1ccccc1CC(=O)N(c1nc(C)cs1)c1ccccc1 ZINC000007688841 210831699 /nfs/dbraw/zinc/83/16/99/210831699.db2.gz ZTSKBUNTSHQGGE-UHFFFAOYSA-N 0 0 338.432 4.368 50 0 EIAARN CC(=O)N1CCC(Nc2cc(C)ccc2SCC(F)(F)F)CC1 ZINC000095983066 218487739 /nfs/dbraw/zinc/48/77/39/218487739.db2.gz YGWXAKUFQICLKW-UHFFFAOYSA-N 0 0 346.418 4.072 50 0 EIAARN Cc1nn2c(nc(N(C)Cc3ccccc3)c3ccccc32)c1Cl ZINC000007736634 210839807 /nfs/dbraw/zinc/83/98/07/210839807.db2.gz YCWHQRHWLDKBEF-UHFFFAOYSA-N 0 0 336.826 4.481 50 0 EIAARN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2c(C)cccc2C)no1 ZINC000095999097 218504026 /nfs/dbraw/zinc/50/40/26/218504026.db2.gz IWHPSTHONPCOTN-HNNXBMFYSA-N 0 0 328.416 4.144 50 0 EIAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1cc(Cl)ccc1O ZINC000096012460 218513850 /nfs/dbraw/zinc/51/38/50/218513850.db2.gz GJDSRRPQKANHIY-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN O=C(CSc1ccccc1)NCC1(c2ccncc2)CCCCC1 ZINC000096011846 218513888 /nfs/dbraw/zinc/51/38/88/218513888.db2.gz LIHXGIBIQQREBU-UHFFFAOYSA-N 0 0 340.492 4.192 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccc(C)cc1 ZINC000007560704 210815001 /nfs/dbraw/zinc/81/50/01/210815001.db2.gz QDDZNTGXPIXHPQ-UHFFFAOYSA-N 0 0 334.466 4.269 50 0 EIAARN CC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)s2)c1 ZINC000007474238 210804930 /nfs/dbraw/zinc/80/49/30/210804930.db2.gz BYUIWWDUKQWJAX-UHFFFAOYSA-N 0 0 339.869 4.476 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)C1(c2ccc(Cl)cc2)CC1 ZINC000007216479 210769628 /nfs/dbraw/zinc/76/96/28/210769628.db2.gz ZMPMEAJLILVKMK-INIZCTEOSA-N 0 0 327.811 4.012 50 0 EIAARN O=C(CCCC(=O)c1ccccc1)NCCSCc1ccccc1 ZINC000006946687 210749028 /nfs/dbraw/zinc/74/90/28/210749028.db2.gz GOLRGGUVGKNVKF-UHFFFAOYSA-N 0 0 341.476 4.089 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)CCCC(=O)c1ccccc1 ZINC000006946762 210748645 /nfs/dbraw/zinc/74/86/45/210748645.db2.gz POINGZGCSMYIRP-UHFFFAOYSA-N 0 0 331.799 4.340 50 0 EIAARN CC(=O)Nc1ccc(C(=O)COc2cc(C)cc(C(C)C)c2)cc1 ZINC000006941174 210748136 /nfs/dbraw/zinc/74/81/36/210748136.db2.gz RCWPKVADQTUDGP-UHFFFAOYSA-N 0 0 325.408 4.339 50 0 EIAARN COc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000006940796 210747885 /nfs/dbraw/zinc/74/78/85/210747885.db2.gz GTVGXWWRBVWNDU-UHFFFAOYSA-N 0 0 347.418 4.498 50 0 EIAARN CC(C)(C)c1ccc(C(=O)COC(=O)C=Cc2ccc(O)cc2)cc1 ZINC000006872164 210731822 /nfs/dbraw/zinc/73/18/22/210731822.db2.gz QYFWMMGTKQFNGY-AWNIVKPZSA-N 0 0 338.403 4.129 50 0 EIAARN CCn1nc(NC(=O)C2CCCCC2)c2cc3cccc(C)c3nc21 ZINC000006785615 210709921 /nfs/dbraw/zinc/70/99/21/210709921.db2.gz TUDXOGUIFFLVDS-UHFFFAOYSA-N 0 0 336.439 4.432 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(N3CCCC[C@@H]3C)s2)cc1F ZINC000006792034 210713706 /nfs/dbraw/zinc/71/37/06/210713706.db2.gz ZFWYSWDUKPOQKC-NSHDSACASA-N 0 0 349.435 4.008 50 0 EIAARN COc1ccc(Cl)cc1-c1noc(COc2ccccc2C)n1 ZINC000006703644 210686263 /nfs/dbraw/zinc/68/62/63/210686263.db2.gz RQAROXAVMZQUJX-UHFFFAOYSA-N 0 0 330.771 4.286 50 0 EIAARN Cc1cccc(C)c1N1C(=O)N2CCCN2[C@@H]1c1ccc(F)cc1 ZINC000006737529 210695954 /nfs/dbraw/zinc/69/59/54/210695954.db2.gz PRHWKSJBLUVYSE-SFHVURJKSA-N 0 0 325.387 4.004 50 0 EIAARN Cc1ccc(NC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000006730405 210694406 /nfs/dbraw/zinc/69/44/06/210694406.db2.gz FAUFVIJYRNXHPE-UHFFFAOYSA-N 0 0 336.395 4.017 50 0 EIAARN COc1cc(NC(=O)c2ccccc2SC)c(OC)cc1Cl ZINC000006703854 210686119 /nfs/dbraw/zinc/68/61/19/210686119.db2.gz OUEWAYVQWYLNEH-UHFFFAOYSA-N 0 0 337.828 4.331 50 0 EIAARN CCCCN(C/C=C/c1ccccc1)C(=O)Nc1cnn(C)c1C ZINC000096161980 218637742 /nfs/dbraw/zinc/63/77/42/218637742.db2.gz VCAUVZBJAWLHPC-FMIVXFBMSA-N 0 0 326.444 4.076 50 0 EIAARN COc1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193810 218663279 /nfs/dbraw/zinc/66/32/79/218663279.db2.gz OGQYLRBTGPAESY-UHFFFAOYSA-N 0 0 348.387 4.275 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1Cl)C1(c2ccccc2)CC1 ZINC000006608794 210663155 /nfs/dbraw/zinc/66/31/55/210663155.db2.gz YOUZAJFJASLFSZ-UHFFFAOYSA-N 0 0 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O=C(Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1)C1CC1 ZINC000005000418 210355462 /nfs/dbraw/zinc/35/54/62/210355462.db2.gz RWARYNWFEKJPKV-UHFFFAOYSA-N 0 0 327.236 4.389 50 0 EIAARN CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1 ZINC000004995206 210354685 /nfs/dbraw/zinc/35/46/85/210354685.db2.gz ACIYRMKBNPQMME-UHFFFAOYSA-N 0 0 334.419 4.088 50 0 EIAARN C[C@H](NC(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000004998110 210354481 /nfs/dbraw/zinc/35/44/81/210354481.db2.gz IHSWTDAQYKMNDX-NSHDSACASA-N 0 0 333.819 4.148 50 0 EIAARN CSCC[C@@H]1COC(c2cccn2Cc2ccc(Cl)cc2)=N1 ZINC000004970621 210344171 /nfs/dbraw/zinc/34/41/71/210344171.db2.gz FPHYYBXNCYZXMP-OAHLLOKOSA-N 0 0 334.872 4.088 50 0 EIAARN Cc1ccnc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC000004960779 210340652 /nfs/dbraw/zinc/34/06/52/210340652.db2.gz LFKZJBQWUHTKHY-FQEVSTJZSA-N 0 0 329.403 4.157 50 0 EIAARN C[C@H](CCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1 ZINC000004956623 210338812 /nfs/dbraw/zinc/33/88/12/210338812.db2.gz KOJKMUBHIZWCBP-CYBMUJFWSA-N 0 0 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VPDHCSQHVYOUGZ-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN CC(=O)c1cccc(N[C@@H]2c3ccccc3C(=O)N2c2ccccn2)c1 ZINC000004916240 210322579 /nfs/dbraw/zinc/32/25/79/210322579.db2.gz GRDVHTIUDREADY-FQEVSTJZSA-N 0 0 343.386 4.055 50 0 EIAARN CCN(CC)c1ccc(Nc2nc3ccccc3n3cnnc23)c(C)c1 ZINC000004910125 210321117 /nfs/dbraw/zinc/32/11/17/210321117.db2.gz GUKXYRIYIKQZEO-UHFFFAOYSA-N 0 0 346.438 4.176 50 0 EIAARN Cc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OC1CCCCCC1 ZINC000004913433 210320601 /nfs/dbraw/zinc/32/06/01/210320601.db2.gz VCRFLIUTGCKIHX-SFHVURJKSA-N 0 0 341.451 4.139 50 0 EIAARN COc1ccccc1CNC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004901886 210318161 /nfs/dbraw/zinc/31/81/61/210318161.db2.gz JWKBECBOALTPEO-UHFFFAOYSA-N 0 0 346.386 4.228 50 0 EIAARN C[C@@H]1CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000004902681 210317177 /nfs/dbraw/zinc/31/71/77/210317177.db2.gz FIBOEJDOGBAJLL-SECBINFHSA-N 0 0 335.662 4.317 50 0 EIAARN CCCC[C@@H](CC)C(=O)NC[C@H](C)NC(=O)[C@@H](CC)CCCC ZINC000004894205 210314012 /nfs/dbraw/zinc/31/40/12/210314012.db2.gz NQBVGWKSYOLZMJ-BBWFWOEESA-N 0 0 326.525 4.040 50 0 EIAARN CCSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(OC)cc1 ZINC000004882829 210311895 /nfs/dbraw/zinc/31/18/95/210311895.db2.gz MITZNXJUJKZLFR-LGMDPLHJSA-N 0 0 338.432 4.192 50 0 EIAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccs2)cc1 ZINC000004854554 210301992 /nfs/dbraw/zinc/30/19/92/210301992.db2.gz BTSXBDYULTXUBZ-SFHVURJKSA-N 0 0 337.448 4.495 50 0 EIAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2)cc1 ZINC000004854462 210301346 /nfs/dbraw/zinc/30/13/46/210301346.db2.gz AYTPFTIZUBEDQE-FQEVSTJZSA-N 0 0 347.418 4.134 50 0 EIAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000004854174 210301117 /nfs/dbraw/zinc/30/11/17/210301117.db2.gz PPAFAOPHTZRXQW-HXUWFJFHSA-N 0 0 331.419 4.434 50 0 EIAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1 ZINC000004843336 210298122 /nfs/dbraw/zinc/29/81/22/210298122.db2.gz MXNHUBYTZBWODY-UHFFFAOYSA-N 0 0 349.434 4.106 50 0 EIAARN Cc1ccc(C(=O)OCc2ccccc2)cc1NC(=O)c1ccco1 ZINC000004868663 210308422 /nfs/dbraw/zinc/30/84/22/210308422.db2.gz PQMJKAWKJFAEDD-UHFFFAOYSA-N 0 0 335.359 4.197 50 0 EIAARN CCOc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1OC ZINC000004866844 210307435 /nfs/dbraw/zinc/30/74/35/210307435.db2.gz AFGYWEPALVRPEJ-UHFFFAOYSA-N 0 0 339.313 4.365 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000004866668 210306879 /nfs/dbraw/zinc/30/68/79/210306879.db2.gz CKLKLFNGNVYLKB-UHFFFAOYSA-N 0 0 330.815 4.121 50 0 EIAARN c1cnc2nc(-c3cccc(NCc4ccc5c(c4)OCO5)c3)oc2c1 ZINC000004842621 210296322 /nfs/dbraw/zinc/29/63/22/210296322.db2.gz DCVJGRKOCNHJOS-UHFFFAOYSA-N 0 0 345.358 4.231 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000004842584 210296058 /nfs/dbraw/zinc/29/60/58/210296058.db2.gz XTMLNHPMLKJTJK-UHFFFAOYSA-N 0 0 348.377 4.259 50 0 EIAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccco1 ZINC000004840950 210294425 /nfs/dbraw/zinc/29/44/25/210294425.db2.gz WELJEZHTVIJVNK-UHFFFAOYSA-N 0 0 331.327 4.305 50 0 EIAARN CC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccc(Cl)cc1 ZINC000004828958 210290508 /nfs/dbraw/zinc/29/05/08/210290508.db2.gz VAGJMCZNDFQARU-UHFFFAOYSA-N 0 0 340.814 4.179 50 0 EIAARN CC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000004826950 210289007 /nfs/dbraw/zinc/28/90/07/210289007.db2.gz PFTHBILYDOUMPH-UHFFFAOYSA-N 0 0 333.840 4.415 50 0 EIAARN O=C(OCc1csc(-c2ccccc2)n1)c1n[nH]c2ccccc21 ZINC000004822993 210287558 /nfs/dbraw/zinc/28/75/58/210287558.db2.gz BYIDBWDIOMOJCV-UHFFFAOYSA-N 0 0 335.388 4.043 50 0 EIAARN Fc1ccc(Cc2nnc3sc(/C=C\c4ccccc4)nn23)cc1 ZINC000097474855 219028090 /nfs/dbraw/zinc/02/80/90/219028090.db2.gz ICBDAZDCJKAXEK-FLIBITNWSA-N 0 0 336.395 4.086 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)OCC2 ZINC000004788747 210279329 /nfs/dbraw/zinc/27/93/29/210279329.db2.gz YRVUMXDFQMCLIE-QGZVFWFLSA-N 0 0 349.224 4.128 50 0 EIAARN Cc1cc(C)nc(S[C@H](C)C(=O)Nc2cccc3ccccc32)n1 ZINC000004783975 210277182 /nfs/dbraw/zinc/27/71/82/210277182.db2.gz AEHYRVFQSRZYHZ-CQSZACIVSA-N 0 0 337.448 4.366 50 0 EIAARN Cc1ccccc1-c1cc(=O)oc(-c2ccc(Br)cc2)n1 ZINC000004754392 210270791 /nfs/dbraw/zinc/27/07/91/210270791.db2.gz AGNKEBNBIUDIAA-UHFFFAOYSA-N 0 0 342.192 4.440 50 0 EIAARN O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccco1 ZINC000004760905 210272987 /nfs/dbraw/zinc/27/29/87/210272987.db2.gz YIWYBDWCUMGOJD-UHFFFAOYSA-N 0 0 336.178 4.084 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]21CCC(=O)O1 ZINC000118916298 221203173 /nfs/dbraw/zinc/20/31/73/221203173.db2.gz XBSQQVJXPODPRW-BSMDRJKDSA-N 0 0 344.495 4.386 50 0 EIAARN Fc1ccc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cc1 ZINC000013594701 257692397 /nfs/dbraw/zinc/69/23/97/257692397.db2.gz BTUBPIFSIVWYBB-SFHVURJKSA-N 0 0 337.398 4.137 50 0 EIAARN O=C(Nc1cccc(Oc2cccnn2)c1)c1cccc2ncccc21 ZINC000175914883 257953923 /nfs/dbraw/zinc/95/39/23/257953923.db2.gz ZOFIPXKHVKBJNR-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN CCCN(C(=O)c1cccc2cccnc21)C1Cc2ccccc2C1 ZINC000426661148 257959646 /nfs/dbraw/zinc/95/96/46/257959646.db2.gz AOKOVRNGIKGHAI-UHFFFAOYSA-N 0 0 330.431 4.254 50 0 EIAARN Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc2cn(C(C)C)nc2c1 ZINC000345908079 257931690 /nfs/dbraw/zinc/93/16/90/257931690.db2.gz BGLFCRZGFLRHEN-UHFFFAOYSA-N 0 0 339.443 4.129 50 0 EIAARN Cc1scc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C ZINC000273315726 257942214 /nfs/dbraw/zinc/94/22/14/257942214.db2.gz PYIYJGYTCRDEIV-SJLPKXTDSA-N 0 0 347.455 4.496 50 0 EIAARN Cc1ccc(CC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000273296779 257942248 /nfs/dbraw/zinc/94/22/48/257942248.db2.gz MHSJTXIFHOWXRD-FUHWJXTLSA-N 0 0 347.455 4.117 50 0 EIAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CSc1ccncc1 ZINC000270304368 257943136 /nfs/dbraw/zinc/94/31/36/257943136.db2.gz YYDLOWIYVHFDMT-CYBMUJFWSA-N 0 0 349.525 4.282 50 0 EIAARN CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(F)cc3)ccc12 ZINC000000455011 258002885 /nfs/dbraw/zinc/00/28/85/258002885.db2.gz RXFUAXNKLGVUJU-UHFFFAOYSA-N 0 0 340.350 4.065 50 0 biogenic EIAARN CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)c3ccccc3)ccc12 ZINC000000082664 258047129 /nfs/dbraw/zinc/04/71/29/258047129.db2.gz KMTUAPGWCIUDDI-CQSZACIVSA-N 0 0 336.387 4.396 50 0 biogenic EIAARN Cc1ccc(CC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000281639951 258013592 /nfs/dbraw/zinc/01/35/92/258013592.db2.gz YALOFLNUZSFLHK-JCNLHEQBSA-N 0 0 348.368 4.014 50 0 EIAARN O=C1N/C(=C\c2ccccc2Cl)C(=O)N1Cc1ccc(Cl)cc1 ZINC000000073999 258047187 /nfs/dbraw/zinc/04/71/87/258047187.db2.gz UFPCGALCDDIJGT-DHDCSXOGSA-N 0 0 347.201 4.086 50 0 EIAARN CC(C)(C)[C@H](NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000334161478 258015743 /nfs/dbraw/zinc/01/57/43/258015743.db2.gz BFJJLKYIUNHFBD-MRXNPFEDSA-N 0 0 335.407 4.254 50 0 EIAARN COC(=O)Oc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1 ZINC000334161186 258015778 /nfs/dbraw/zinc/01/57/78/258015778.db2.gz VZQVIANSNWNREK-UHFFFAOYSA-N 0 0 330.723 4.259 50 0 EIAARN Cn1c(SCC(=O)c2cc3ccccc3o2)nnc1-c1ccccc1 ZINC000000106828 258047278 /nfs/dbraw/zinc/04/72/78/258047278.db2.gz BLNIIISLHWDRRU-UHFFFAOYSA-N 0 0 349.415 4.203 50 0 EIAARN Cc1cc(NC(=O)N(C)Cc2ccc(C)s2)n([C@H](C)C2CC2)n1 ZINC000299776784 258087160 /nfs/dbraw/zinc/08/71/60/258087160.db2.gz CUZSOHFRHDOKQT-CYBMUJFWSA-N 0 0 332.473 4.196 50 0 EIAARN Cc1noc(C)c1CNC(=O)Nc1cccc2c3c(oc21)CCCC3 ZINC000299780612 258089419 /nfs/dbraw/zinc/08/94/19/258089419.db2.gz KPEMGDCYGNIUCT-UHFFFAOYSA-N 0 0 339.395 4.238 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)cc1 ZINC000000465183 258048540 /nfs/dbraw/zinc/04/85/40/258048540.db2.gz DTJLFDXBQTUIOK-UHFFFAOYSA-N 0 0 345.240 4.302 50 0 EIAARN Cc1sc(NC[C@@H]2CCCO2)nc1-c1ccc(OC(F)F)cc1 ZINC000003352668 258050621 /nfs/dbraw/zinc/05/06/21/258050621.db2.gz QHVNCBUNFJEGKX-ZDUSSCGKSA-N 0 0 340.395 4.311 50 0 EIAARN CC(=O)NCc1ccc(-c2csc(COc3ccccc3)n2)s1 ZINC000008042373 258053644 /nfs/dbraw/zinc/05/36/44/258053644.db2.gz KFRXSQIBPQHVPK-UHFFFAOYSA-N 0 0 344.461 4.087 50 0 EIAARN O=C(CSCc1cccs1)Nc1nc(-c2cccnc2)cs1 ZINC000009368485 258054091 /nfs/dbraw/zinc/05/40/91/258054091.db2.gz WYVQWLUWIUNISN-UHFFFAOYSA-N 0 0 347.490 4.139 50 0 EIAARN CCOc1ccc(N[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000012534352 258054608 /nfs/dbraw/zinc/05/46/08/258054608.db2.gz VQFMEEUWECHLBD-LLVKDONJSA-N 0 0 343.452 4.173 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-n2cccc2)cc1 ZINC000012534379 258054677 /nfs/dbraw/zinc/05/46/77/258054677.db2.gz LDUISDRYKSPVPN-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 EIAARN CC(C)CSCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000039983353 258059452 /nfs/dbraw/zinc/05/94/52/258059452.db2.gz YNIHWSOSDDEZNR-KRWDZBQOSA-N 0 0 337.485 4.482 50 0 EIAARN C/C(=C/C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C)C1CC1 ZINC000056269128 258061525 /nfs/dbraw/zinc/06/15/25/258061525.db2.gz XWPHFBIZFINBSP-QINSGFPZSA-N 0 0 337.467 4.112 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000065005338 258062138 /nfs/dbraw/zinc/06/21/38/258062138.db2.gz PCZWZWVWMKLMTF-OAHLLOKOSA-N 0 0 331.485 4.341 50 0 EIAARN COc1cc(C)c(CN[C@H](C)c2csc(C3CC3)n2)cc1OC ZINC000089570339 258065902 /nfs/dbraw/zinc/06/59/02/258065902.db2.gz QEEXCXXOLRPDSB-GFCCVEGCSA-N 0 0 332.469 4.197 50 0 EIAARN COc1cc(N[C@H](C)c2cn(C(C)(C)C)nc2C)ccc1NC(C)=O ZINC000097045628 258068076 /nfs/dbraw/zinc/06/80/76/258068076.db2.gz YOEVXJNDACUIDF-GFCCVEGCSA-N 0 0 344.459 4.087 50 0 EIAARN C[C@H]1CCCN(C(=O)c2cc(Cc3cccc4ccccc43)no2)C1 ZINC000299758586 258076323 /nfs/dbraw/zinc/07/63/23/258076323.db2.gz JRRSSFOEWXDHGB-HNNXBMFYSA-N 0 0 334.419 4.291 50 0 EIAARN CCCSc1ccccc1NC(=O)N(C)CCc1c(C)n[nH]c1C ZINC000299765654 258080685 /nfs/dbraw/zinc/08/06/85/258080685.db2.gz PLOGNSJTYLHJJS-UHFFFAOYSA-N 0 0 346.500 4.235 50 0 EIAARN CCOc1ccccc1N1CCN(Cc2ccc(SC)cc2)CC1 ZINC000055542976 132195875 /nfs/dbraw/zinc/19/58/75/132195875.db2.gz QQQVRVULOVXCIA-UHFFFAOYSA-N 0 0 342.508 4.129 50 0 EIAARN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCCc2ccccc21 ZINC000057412170 132200507 /nfs/dbraw/zinc/20/05/07/132200507.db2.gz YBGVNPZVTGODDK-UHFFFAOYSA-N 0 0 337.810 4.323 50 0 EIAARN O=c1cc(-c2ccccc2)nc(Nc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000057732442 132201272 /nfs/dbraw/zinc/20/12/72/132201272.db2.gz XWEZDAJKJVSEBT-UHFFFAOYSA-N 0 0 346.434 4.171 50 0 EIAARN Cc1cc(C)c(NC(=O)CN2CCCc3cccc(F)c32)c(Cl)c1 ZINC000040050472 132397794 /nfs/dbraw/zinc/39/77/94/132397794.db2.gz QSAOSDKCEPLLLU-UHFFFAOYSA-N 0 0 346.833 4.487 50 0 EIAARN C[C@@H]1CSc2ccccc2N1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000075105948 132814830 /nfs/dbraw/zinc/81/48/30/132814830.db2.gz CZSFNIARVHVVNX-GFCCVEGCSA-N 0 0 340.423 4.377 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)C[C@H]2C)cc1 ZINC000013320316 135700018 /nfs/dbraw/zinc/70/00/18/135700018.db2.gz IGQINDVIZBAPQK-MRXNPFEDSA-N 0 0 341.430 4.185 50 0 EIAARN Cc1ccc(NC(=O)NCCCN2CCCc3ccccc32)cc1F ZINC000020889992 135722703 /nfs/dbraw/zinc/72/27/03/135722703.db2.gz RIAYDSOWNDZDOK-UHFFFAOYSA-N 0 0 341.430 4.099 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000171446991 227083740 /nfs/dbraw/zinc/08/37/40/227083740.db2.gz YHBOZJJHZDCVPY-UHFFFAOYSA-N 0 0 329.787 4.259 50 0 EIAARN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1Br ZINC000000309919 262517230 /nfs/dbraw/zinc/51/72/30/262517230.db2.gz MYYHORKMGMQUPO-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1F ZINC000000457167 262518602 /nfs/dbraw/zinc/51/86/02/262518602.db2.gz LBUUAEKNYCABOX-JXMROGBWSA-N 0 0 334.803 4.006 50 0 EIAARN C[C@@H](Sc1cccc(O)c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000185683350 534008259 /nfs/dbraw/zinc/00/82/59/534008259.db2.gz RINRAXJFCGPUTC-DOMZBBRYSA-N 0 0 333.478 4.298 50 0 EIAARN CC(C)c1ccc(Nc2nc(Cl)nc(N3CCCCC3)n2)cc1 ZINC000000063019 519837899 /nfs/dbraw/zinc/83/78/99/519837899.db2.gz NLDDPPFUBNNSLV-UHFFFAOYSA-N 0 0 331.851 4.382 50 0 EIAARN CC(C)c1nc2cc(NS(=O)(=O)/C=C\c3ccccc3)ccc2o1 ZINC000097044387 519869586 /nfs/dbraw/zinc/86/95/86/519869586.db2.gz IWXOAHWYAKPXGN-KHPPLWFESA-N 0 0 342.420 4.364 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)c2cccc(C)c2F)c1C ZINC000127340476 519880046 /nfs/dbraw/zinc/88/00/46/519880046.db2.gz LXHJWTDDERICCA-UHFFFAOYSA-N 0 0 328.387 4.433 50 0 EIAARN CCC[C@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000010148693 521008535 /nfs/dbraw/zinc/00/85/35/521008535.db2.gz AENNHGFGLAPSTI-LBPRGKRZSA-N 0 0 325.368 4.371 50 0 EIAARN CCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C ZINC000000031399 521168849 /nfs/dbraw/zinc/16/88/49/521168849.db2.gz DRQJSDYVORTCEY-YWZLYKJASA-N 0 0 336.435 4.316 50 0 EIAARN COc1ccc(CN(C)C(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 ZINC000009365378 523996555 /nfs/dbraw/zinc/99/65/55/523996555.db2.gz LZXODVZSLWGFRY-UHFFFAOYSA-N 0 0 348.830 4.330 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 ZINC000242592348 534779703 /nfs/dbraw/zinc/77/97/03/534779703.db2.gz OQHMNEGOKQMOFM-OHFNBNKZSA-N 0 0 332.484 4.242 50 0 EIAARN COc1ccc(NC(C)=O)c(NC(=O)CC/C=C\c2ccccc2)c1 ZINC000096413800 524668572 /nfs/dbraw/zinc/66/85/72/524668572.db2.gz VCTFEVDFHQKIPH-POHAHGRESA-N 0 0 338.407 4.086 50 0 EIAARN Cc1nc(C)c(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)o1 ZINC000174799226 534880685 /nfs/dbraw/zinc/88/06/85/534880685.db2.gz HAFUKWACQLSPMH-UHFFFAOYSA-N 0 0 347.484 4.065 50 0 EIAARN Cc1csc([C@H](C)CNC(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000186031869 526429907 /nfs/dbraw/zinc/42/99/07/526429907.db2.gz AXGCUTHIIFEYIP-MRVPVSSYSA-N 0 0 346.349 4.143 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)N(CCc1cccs1)C1CC1 ZINC000096120303 527197691 /nfs/dbraw/zinc/19/76/91/527197691.db2.gz XTHQWXZLIUQEEA-UHFFFAOYSA-N 0 0 337.847 4.317 50 0 EIAARN Cc1ncsc1CN(C)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000253429138 527496230 /nfs/dbraw/zinc/49/62/30/527496230.db2.gz PHAXPMIMKBFZEC-GDBMZVCRSA-N 0 0 347.459 4.068 50 0 EIAARN CCCc1c(NCc2nnc(C(C)C)o2)cnn1-c1ccc(F)cc1 ZINC000192765579 528561261 /nfs/dbraw/zinc/56/12/61/528561261.db2.gz YSSIWNQXAVIDMR-UHFFFAOYSA-N 0 0 343.406 4.082 50 0 EIAARN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000003097284 535095238 /nfs/dbraw/zinc/09/52/38/535095238.db2.gz IVFTZBNUSRCRLK-MGPLVRAMSA-N 0 0 326.223 4.309 50 0 EIAARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(C)c(F)c2)CO1 ZINC000005516076 536095546 /nfs/dbraw/zinc/09/55/46/536095546.db2.gz 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COc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000000190915 563256572 /nfs/dbraw/zinc/25/65/72/563256572.db2.gz PRGLVPHVMLHJGP-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN O=C1O[C@@H](COc2ccccc2)CN1c1ccc(Cl)c(Cl)c1 ZINC000000192393 563256933 /nfs/dbraw/zinc/25/69/33/563256933.db2.gz NFFGDXKXOVFESX-CYBMUJFWSA-N 0 0 338.190 4.398 50 0 EIAARN COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccccc1 ZINC000000193208 563257327 /nfs/dbraw/zinc/25/73/27/563257327.db2.gz CCAMVDXXQMBIMK-UHFFFAOYSA-N 0 0 341.476 4.436 50 0 EIAARN CSc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000000202346 563259167 /nfs/dbraw/zinc/25/91/67/563259167.db2.gz GASSAAANROCKLJ-OQLLNIDSSA-N 0 0 344.823 4.159 50 0 EIAARN Cc1ccc(OCc2nc(-c3ccccc3)no2)c(Br)c1 ZINC000000205787 563259778 /nfs/dbraw/zinc/25/97/78/563259778.db2.gz CYGLVOVEONSPHW-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N1CCCCC1 ZINC000000217446 563262222 /nfs/dbraw/zinc/26/22/22/563262222.db2.gz QZAPYWOVBPZHAF-UHFFFAOYSA-N 0 0 332.494 4.163 50 0 EIAARN Nc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cs1 ZINC000000265678 563268864 /nfs/dbraw/zinc/26/88/64/563268864.db2.gz QBSYOVPDGGECIF-UHFFFAOYSA-N 0 0 329.812 4.298 50 0 EIAARN COc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000000278496 563271466 /nfs/dbraw/zinc/27/14/66/563271466.db2.gz AQLIQOWLNIVJQK-UHFFFAOYSA-N 0 0 333.387 4.380 50 0 EIAARN COc1cccc(C(=O)NC2c3ccccc3Oc3ccccc32)c1 ZINC000000285433 563272719 /nfs/dbraw/zinc/27/27/19/563272719.db2.gz BRGUKJWHIGEUQF-UHFFFAOYSA-N 0 0 331.371 4.320 50 0 EIAARN CC(C)(C)C1CCC(OC(=O)CCC(=O)NCc2ccccc2)CC1 ZINC000000294604 563274158 /nfs/dbraw/zinc/27/41/58/563274158.db2.gz VVMVJNWTRTUFKS-UHFFFAOYSA-N 0 0 345.483 4.231 50 0 EIAARN COc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1C ZINC000000301902 563276076 /nfs/dbraw/zinc/27/60/76/563276076.db2.gz POEOBEXBGSLRSH-UHFFFAOYSA-N 0 0 346.386 4.271 50 0 EIAARN COc1ccc(/C=C(/C(=O)NCc2ccco2)c2ccccc2)cc1 ZINC000000302870 563276383 /nfs/dbraw/zinc/27/63/83/563276383.db2.gz GGCRYPFWXKZLLP-XSFVSMFZSA-N 0 0 333.387 4.145 50 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Cc1ccc2nc(NC(=O)CSCc3ccccc3)sc2c1 ZINC000000466680 563328520 /nfs/dbraw/zinc/32/85/20/563328520.db2.gz MRXFSGHNNVZCRC-UHFFFAOYSA-N 0 0 328.462 4.477 50 0 EIAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000000469451 563330162 /nfs/dbraw/zinc/33/01/62/563330162.db2.gz LTTJMQKWRHXAGZ-UHFFFAOYSA-N 0 0 341.407 4.039 50 0 EIAARN CCC(=O)Oc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000469325 563330228 /nfs/dbraw/zinc/33/02/28/563330228.db2.gz SXOHZLBPCFPAAY-UHFFFAOYSA-N 0 0 337.297 4.273 50 0 EIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2C)c1 ZINC000000471197 563331477 /nfs/dbraw/zinc/33/14/77/563331477.db2.gz UMJLDGPZQCCWGX-UHFFFAOYSA-N 0 0 346.814 4.014 50 0 EIAARN CCOc1ccc2nc(NC(=O)[C@H](C)c3ccccc3)sc2c1 ZINC000000476159 563334461 /nfs/dbraw/zinc/33/44/61/563334461.db2.gz WANCPLBDXGLYJV-GFCCVEGCSA-N 0 0 326.421 4.437 50 0 EIAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000000479334 563335808 /nfs/dbraw/zinc/33/58/08/563335808.db2.gz BZIWENTZTLBJII-LBPRGKRZSA-N 0 0 330.815 4.121 50 0 EIAARN 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/nfs/dbraw/zinc/46/68/40/563466840.db2.gz SBFZXPQUNAKSEL-UHFFFAOYSA-N 0 0 330.424 4.122 50 0 EIAARN Cc1cccc(CSCCNC(=O)CSCc2ccccc2)c1 ZINC000002990790 563467824 /nfs/dbraw/zinc/46/78/24/563467824.db2.gz YAFFABOPODYPKB-UHFFFAOYSA-N 0 0 345.533 4.278 50 0 EIAARN O=C(CCCOc1ccccc1)Nc1ccc(Br)cc1 ZINC000002993097 563468487 /nfs/dbraw/zinc/46/84/87/563468487.db2.gz QRVBBPAZMYFBLZ-UHFFFAOYSA-N 0 0 334.213 4.247 50 0 EIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 ZINC000003136257 563474124 /nfs/dbraw/zinc/47/41/24/563474124.db2.gz POUNJAWBJBMOQB-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN CCOC(=O)[C@H](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O ZINC000003136867 563474288 /nfs/dbraw/zinc/47/42/88/563474288.db2.gz BDLOPXJURDNJMB-OAHLLOKOSA-N 0 0 348.483 4.298 50 0 EIAARN COc1ccc(CCc2n[nH]c(C)c2NC(=O)C2CCCCC2)cc1 ZINC000034795153 563479966 /nfs/dbraw/zinc/47/99/66/563479966.db2.gz KJFWUVVLJGDRRJ-UHFFFAOYSA-N 0 0 341.455 4.031 50 0 EIAARN CCCc1[nH]nc(-c2ccccc2OC)c1NC(=O)C1CCCC1 ZINC000034796325 563480533 /nfs/dbraw/zinc/48/05/33/563480533.db2.gz DEQKHJYXIKOZRR-UHFFFAOYSA-N 0 0 327.428 4.167 50 0 EIAARN CCCc1[nH]nc(-c2ccccc2OC)c1NC(=O)c1ccccc1 ZINC000034796311 563480545 /nfs/dbraw/zinc/48/05/45/563480545.db2.gz YBRGWHHYTBKXSM-UHFFFAOYSA-N 0 0 335.407 4.290 50 0 EIAARN CCc1cc(NC(=O)c2cccc(OC)c2)nn1-c1cccc(C)c1 ZINC000034907411 563481827 /nfs/dbraw/zinc/48/18/27/563481827.db2.gz XYLJBQGVWPVGQY-UHFFFAOYSA-N 0 0 335.407 4.004 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Cl)nc2)nn1-c1cccc(Cl)c1 ZINC000034907578 563482032 /nfs/dbraw/zinc/48/20/32/563482032.db2.gz DFOBODDUWNLPFM-UHFFFAOYSA-N 0 0 347.205 4.135 50 0 EIAARN CC(C)[C@H](C)NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)on1 ZINC000034899312 563483551 /nfs/dbraw/zinc/48/35/51/563483551.db2.gz MVMLRNAQGSMFJB-JTQLQIEISA-N 0 0 326.318 4.135 50 0 EIAARN Cc1ccc2ncn(C3CCN(C(=O)c4ccc(C)c(C)c4)CC3)c2c1 ZINC000034915273 563484225 /nfs/dbraw/zinc/48/42/25/563484225.db2.gz VFFBKMMSOZBLSL-UHFFFAOYSA-N 0 0 347.462 4.439 50 0 EIAARN CCc1nnc([C@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)o1 ZINC000071893917 563487949 /nfs/dbraw/zinc/48/79/49/563487949.db2.gz IIYWJUNJRVDQHO-JTQLQIEISA-N 0 0 349.847 4.028 50 0 EIAARN CCOc1ccccc1N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000004380787 563501783 /nfs/dbraw/zinc/50/17/83/563501783.db2.gz VURZYFSEJXFRPI-UHFFFAOYSA-N 0 0 343.382 4.138 50 0 EIAARN CC(C)(C)c1ccc(C2=NNC(=O)[C@H](c3c[nH]c4ccccc43)C2)cc1 ZINC000005187520 563522067 /nfs/dbraw/zinc/52/20/67/563522067.db2.gz VJFZZNIMQBQZRE-KRWDZBQOSA-N 0 0 345.446 4.473 50 0 EIAARN CCc1nn2c(nc(C)cc2NCc2ccccn2)c1-c1ccccc1 ZINC000005243390 563524070 /nfs/dbraw/zinc/52/40/70/563524070.db2.gz RTSSRIAAVPFIAQ-UHFFFAOYSA-N 0 0 343.434 4.274 50 0 EIAARN O=C(Nc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1 ZINC000005439920 563532869 /nfs/dbraw/zinc/53/28/69/563532869.db2.gz SMTKGVOHTAFUDR-UHFFFAOYSA-N 0 0 329.787 4.111 50 0 EIAARN Cc1ccccc1C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 ZINC000005520375 563536586 /nfs/dbraw/zinc/53/65/86/563536586.db2.gz ULWHCVYDUONQFW-UHFFFAOYSA-N 0 0 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ZINC000002730437 563609080 /nfs/dbraw/zinc/60/90/80/563609080.db2.gz IJLMIQZTLLFXAO-STQMWFEESA-N 0 0 329.465 4.373 50 0 EIAARN Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)cc1 ZINC000007720200 563611972 /nfs/dbraw/zinc/61/19/72/563611972.db2.gz NVGVKZDHYOSKOZ-UHFFFAOYSA-N 0 0 349.434 4.486 50 0 EIAARN O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)NC1CCCCC1 ZINC000002767526 563613837 /nfs/dbraw/zinc/61/38/37/563613837.db2.gz LDQBZJHVJWAIOU-UHFFFAOYSA-N 0 0 332.835 4.039 50 0 EIAARN O=C(NCCc1cccs1)C1c2ccccc2Oc2ccccc21 ZINC000007798299 563615127 /nfs/dbraw/zinc/61/51/27/563615127.db2.gz ZYXZZGDVWZKQEM-UHFFFAOYSA-N 0 0 335.428 4.345 50 0 EIAARN Cn1c(=O)c2ccccc2nc1SCc1c(F)cccc1Cl ZINC000002802589 563615515 /nfs/dbraw/zinc/61/55/15/563615515.db2.gz VPFGHGHPLWGLRM-UHFFFAOYSA-N 0 0 334.803 4.018 50 0 EIAARN Cc1nnc(CCC[S@@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000097379550 563615922 /nfs/dbraw/zinc/61/59/22/563615922.db2.gz UEXQRCMDDIMKMO-BTKVJGODSA-N 0 0 347.267 4.127 50 0 EIAARN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3ccc(Cl)cn3)c2C1 ZINC000002806416 563616226 /nfs/dbraw/zinc/61/62/26/563616226.db2.gz UJQGYEYVTGRSSE-JTQLQIEISA-N 0 0 333.819 4.126 50 0 EIAARN N=c1sc(Cc2ccccc2Cl)cn1CC(=O)c1ccccc1 ZINC000005555005 563619746 /nfs/dbraw/zinc/61/97/46/563619746.db2.gz UAUUUTCJGAUJKO-UHFFFAOYSA-N 0 0 342.851 4.156 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000008097575 563621436 /nfs/dbraw/zinc/62/14/36/563621436.db2.gz MNVXDNAWGANLIX-UHFFFAOYSA-N 0 0 337.297 4.134 50 0 EIAARN CCCn1ccc2ccc(NC(=O)N(C)Cc3c(C)noc3C)cc21 ZINC000071920099 563623950 /nfs/dbraw/zinc/62/39/50/563623950.db2.gz BQIKWVAPINMRMI-UHFFFAOYSA-N 0 0 340.427 4.320 50 0 EIAARN C[C@@H](c1cccnc1)N(C(=O)Nc1ccccc1OC(F)F)C1CC1 ZINC000071921449 563626098 /nfs/dbraw/zinc/62/60/98/563626098.db2.gz DMWUJBRYDPGYAQ-LBPRGKRZSA-N 0 0 347.365 4.441 50 0 EIAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)C)n2)cc1 ZINC000008559180 563632395 /nfs/dbraw/zinc/63/23/95/563632395.db2.gz KMSMTBIYYCXTHR-UHFFFAOYSA-N 0 0 337.379 4.007 50 0 EIAARN CCOc1ccccc1C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000008673637 563634975 /nfs/dbraw/zinc/63/49/75/563634975.db2.gz WFPJHLORSKELNV-CQSZACIVSA-N 0 0 346.224 4.126 50 0 EIAARN O=C(c1nc(Cc2ccc(Cl)cc2)n2ccccc12)C(F)(F)F ZINC000008717021 563637357 /nfs/dbraw/zinc/63/73/57/563637357.db2.gz MZXMANJXMPKFOU-UHFFFAOYSA-N 0 0 338.716 4.324 50 0 EIAARN O=C(Nc1ccccc1OC[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000010156021 563646102 /nfs/dbraw/zinc/64/61/02/563646102.db2.gz NRHVTJLIADHLMQ-OAHLLOKOSA-N 0 0 331.799 4.150 50 0 EIAARN CCC[C@@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000010148691 563646139 /nfs/dbraw/zinc/64/61/39/563646139.db2.gz AENNHGFGLAPSTI-GFCCVEGCSA-N 0 0 325.368 4.371 50 0 EIAARN Cc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)s1 ZINC000032593510 563662691 /nfs/dbraw/zinc/66/26/91/563662691.db2.gz SUGDWDNHSAKBJF-UHFFFAOYSA-N 0 0 335.841 4.481 50 0 EIAARN Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C2CCCC2)cc1C ZINC000012595458 563664708 /nfs/dbraw/zinc/66/47/08/563664708.db2.gz BRXPPKXDRLJCSG-LJQANCHMSA-N 0 0 337.467 4.173 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC000012748121 563670138 /nfs/dbraw/zinc/67/01/38/563670138.db2.gz SSZXGPWMHWPPJN-HNNXBMFYSA-N 0 0 331.799 4.150 50 0 EIAARN Cc1cccc(C)c1NC(=O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000012806690 563674355 /nfs/dbraw/zinc/67/43/55/563674355.db2.gz XNSNKIXQYLIQOC-SFHVURJKSA-N 0 0 326.415 4.218 50 0 EIAARN Cc1cccc(CSc2nnc3ccc(-c4cccs4)nn32)c1 ZINC000004376844 563675264 /nfs/dbraw/zinc/67/52/64/563675264.db2.gz NXYWQOGCLSYLNO-UHFFFAOYSA-N 0 0 338.461 4.454 50 0 EIAARN COc1cc(NC(=O)c2csc(-c3ccsc3)n2)cc(OC)c1 ZINC000012980581 563681315 /nfs/dbraw/zinc/68/13/15/563681315.db2.gz QRCVBWOHLXLHJU-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN CCc1ccc(C2=Nn3c(nnc3-c3cccs3)S[C@@H]2C)cc1 ZINC000032682298 563682266 /nfs/dbraw/zinc/68/22/66/563682266.db2.gz RNZORJPKZSKONI-LLVKDONJSA-N 0 0 340.477 4.316 50 0 EIAARN COc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000012995215 563683450 /nfs/dbraw/zinc/68/34/50/563683450.db2.gz ALNSSLWZQYORNJ-UHFFFAOYSA-N 0 0 330.434 4.441 50 0 EIAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H](O)c1ccccc1 ZINC000013030689 563686055 /nfs/dbraw/zinc/68/60/55/563686055.db2.gz YBOPNEMIHKPDIV-NRFANRHFSA-N 0 0 328.415 4.475 50 0 EIAARN O=C(NCc1cccnc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013227829 563692624 /nfs/dbraw/zinc/69/26/24/563692624.db2.gz WLVJQKIUSZBWGF-UHFFFAOYSA-N 0 0 329.709 4.076 50 0 EIAARN O=C(COc1ccc(F)cc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000013329589 563696404 /nfs/dbraw/zinc/69/64/04/563696404.db2.gz YHFPAQZMONAGDJ-UHFFFAOYSA-N 0 0 331.240 4.001 50 0 EIAARN C[C@@H]1CCc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2C1 ZINC000013331299 563696438 /nfs/dbraw/zinc/69/64/38/563696438.db2.gz QQGRBJGTCLRSDW-SSDOTTSWSA-N 0 0 342.798 4.452 50 0 EIAARN COc1cccc(CNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000032716619 563699102 /nfs/dbraw/zinc/69/91/02/563699102.db2.gz OGIXHTKMSXJQIR-OAHLLOKOSA-N 0 0 349.430 4.277 50 0 EIAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 ZINC000013479803 563699635 /nfs/dbraw/zinc/69/96/35/563699635.db2.gz CJZKZPCDYJENAU-VQIMIIECSA-N 0 0 333.416 4.385 50 0 EIAARN CCOc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000013553082 563701475 /nfs/dbraw/zinc/70/14/75/563701475.db2.gz FXWANFOMGLCXJY-UHFFFAOYSA-N 0 0 331.441 4.237 50 0 EIAARN CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(Cc3ccon3)C2)cc1 ZINC000013594988 563703148 /nfs/dbraw/zinc/70/31/48/563703148.db2.gz DUOVSWSCNLLFBM-INIZCTEOSA-N 0 0 326.440 4.067 50 0 EIAARN Fc1ccc(Nc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 ZINC000013628622 563704844 /nfs/dbraw/zinc/70/48/44/563704844.db2.gz FBNRJYZPUAEQGX-UHFFFAOYSA-N 0 0 339.761 4.327 50 0 EIAARN CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1C ZINC000013647247 563706774 /nfs/dbraw/zinc/70/67/74/563706774.db2.gz FFPLFTVKWFVODO-UHFFFAOYSA-N 0 0 348.446 4.397 50 0 EIAARN CCN(Cc1cccc(F)c1)C(=O)c1oc2ccccc2c1COC ZINC000032722628 563707840 /nfs/dbraw/zinc/70/78/40/563707840.db2.gz LYFGGJYUSJXLNQ-UHFFFAOYSA-N 0 0 341.382 4.381 50 0 EIAARN O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCCCCC1 ZINC000013731947 563719399 /nfs/dbraw/zinc/71/93/99/563719399.db2.gz NNYUVKRHKZLMIF-UHFFFAOYSA-N 0 0 347.414 4.476 50 0 EIAARN C[C@@H]1CC(C)(C)N2C(=O)C(=C3SC(=S)NC3=O)c3cccc1c32 ZINC000013768304 563721860 /nfs/dbraw/zinc/72/18/60/563721860.db2.gz FGBZFYGJDSKZGE-KXVPCBDSSA-N 0 0 344.461 4.018 50 0 EIAARN COc1cc(NC(=S)N[C@@H]2CCCc3ccccc32)cc(OC)c1 ZINC000013823433 563725653 /nfs/dbraw/zinc/72/56/53/563725653.db2.gz NFXXIEQZLPUQJP-GOSISDBHSA-N 0 0 342.464 4.068 50 0 EIAARN CCCCc1noc([C@H](C)Sc2nccc(C(F)(F)F)n2)n1 ZINC000032761088 563726077 /nfs/dbraw/zinc/72/60/77/563726077.db2.gz PZEGLNLZEBKXKQ-QMMMGPOBSA-N 0 0 332.351 4.074 50 0 EIAARN CCc1cccc2c(C(=O)C(=O)Nc3nc4ccccc4s3)c[nH]c21 ZINC000013858144 563726897 /nfs/dbraw/zinc/72/68/97/563726897.db2.gz WMLQTSNYODBNFQ-UHFFFAOYSA-N 0 0 349.415 4.161 50 0 EIAARN C[C@@H](NC(=O)CCn1cnc2ccccc21)c1cccc2ccccc21 ZINC000032768649 563729854 /nfs/dbraw/zinc/72/98/54/563729854.db2.gz OTCKXSHJPGTLGE-MRXNPFEDSA-N 0 0 343.430 4.457 50 0 EIAARN CC(C)(C)CC(=O)NCCCCCc1nc(-c2cccs2)no1 ZINC000032772735 563731259 /nfs/dbraw/zinc/73/12/59/563731259.db2.gz BAYNOKVROLTMKD-UHFFFAOYSA-N 0 0 335.473 4.063 50 0 EIAARN CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000014016090 563735810 /nfs/dbraw/zinc/73/58/10/563735810.db2.gz SQBJRMRQKHPODE-UHFFFAOYSA-N 0 0 337.404 4.021 50 0 EIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1O ZINC000014093068 563739335 /nfs/dbraw/zinc/73/93/35/563739335.db2.gz VMLYFQVTHWYDDG-UHFFFAOYSA-N 0 0 342.782 4.272 50 0 EIAARN COc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)c(C)s2)cc1 ZINC000014102779 563740856 /nfs/dbraw/zinc/74/08/56/563740856.db2.gz FETIRSRHYMKXFR-UHFFFAOYSA-N 0 0 342.420 4.023 50 0 EIAARN CCn1c(Cc2cccs2)nnc1SCc1ccccc1F ZINC000014112921 563741768 /nfs/dbraw/zinc/74/17/68/563741768.db2.gz OCKKTNKERXFSDA-UHFFFAOYSA-N 0 0 333.457 4.382 50 0 EIAARN Cc1cnc(C(=O)Nc2ccccc2SCc2ccsc2)cn1 ZINC000014125392 563743305 /nfs/dbraw/zinc/74/33/05/563743305.db2.gz ZMUXUBCGALPIQL-UHFFFAOYSA-N 0 0 341.461 4.391 50 0 EIAARN CC(C)(C)C(=O)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135660 563745664 /nfs/dbraw/zinc/74/56/64/563745664.db2.gz FSAWLJRWGMHPCC-OAHLLOKOSA-N 0 0 341.430 4.035 50 0 EIAARN Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)c1cccs1 ZINC000014163359 563745831 /nfs/dbraw/zinc/74/58/31/563745831.db2.gz XBQULIUNJZZFFR-SNVBAGLBSA-N 0 0 332.450 4.193 50 0 EIAARN C[C@H](Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)c1ccccc1 ZINC000014164101 563745862 /nfs/dbraw/zinc/74/58/62/563745862.db2.gz JGLIAXIOJGMQMZ-NSHDSACASA-N 0 0 337.404 4.418 50 0 EIAARN CON(C)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000014167565 563746224 /nfs/dbraw/zinc/74/62/24/563746224.db2.gz QMYLJYNEUDAZGL-UHFFFAOYSA-N 0 0 326.783 4.189 50 0 EIAARN O=C(CCCSc1n[nH]c(-c2cccs2)n1)c1ccccc1 ZINC000014183744 563747803 /nfs/dbraw/zinc/74/78/03/563747803.db2.gz XZZCMPUZPLQWTA-UHFFFAOYSA-N 0 0 329.450 4.288 50 0 EIAARN Cc1cnc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000014185829 563748516 /nfs/dbraw/zinc/74/85/16/563748516.db2.gz JHAAPQWBDBSPCX-UHFFFAOYSA-N 0 0 349.868 4.410 50 0 EIAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccccc1 ZINC000014205878 563750798 /nfs/dbraw/zinc/75/07/98/563750798.db2.gz REMLJTIBCJJAGA-UHFFFAOYSA-N 0 0 342.402 4.371 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)n1 ZINC000032818666 563751514 /nfs/dbraw/zinc/75/15/14/563751514.db2.gz MVYHGTSCIPDMRW-UHFFFAOYSA-N 0 0 328.375 4.186 50 0 EIAARN Cc1ccc2n[nH]c(C(=O)N[C@@H](c3cccs3)c3ccccc3)c2c1 ZINC000032814944 563753452 /nfs/dbraw/zinc/75/34/52/563753452.db2.gz GWVKEIMGZAKDFD-GOSISDBHSA-N 0 0 347.443 4.452 50 0 EIAARN CC(C)CCC[C@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000014245807 563754736 /nfs/dbraw/zinc/75/47/36/563754736.db2.gz BWSFCSVGMAUWDZ-AWEZNQCLSA-N 0 0 331.485 4.079 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1C ZINC000032819152 563757126 /nfs/dbraw/zinc/75/71/26/563757126.db2.gz AHSBOROLZGFULR-OAHLLOKOSA-N 0 0 349.434 4.020 50 0 EIAARN CC(=O)Nc1cccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000032848534 563762331 /nfs/dbraw/zinc/76/23/31/563762331.db2.gz XWZOZNLUMUMKJD-CYBMUJFWSA-N 0 0 340.448 4.176 50 0 EIAARN COc1ccc(CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 ZINC000014700618 563763168 /nfs/dbraw/zinc/76/31/68/563763168.db2.gz CQVBHHZJJHXTIG-CQSZACIVSA-N 0 0 327.449 4.155 50 0 EIAARN O=C(COc1cccc2cccnc21)Nc1cccc(C(F)(F)F)c1 ZINC000014737468 563763828 /nfs/dbraw/zinc/76/38/28/563763828.db2.gz GJLKQNGSRDNUJM-UHFFFAOYSA-N 0 0 346.308 4.271 50 0 EIAARN C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000014775007 563764053 /nfs/dbraw/zinc/76/40/53/563764053.db2.gz CWOAGYSGNPOVFW-NSHDSACASA-N 0 0 343.789 4.360 50 0 EIAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000014738339 563764107 /nfs/dbraw/zinc/76/41/07/563764107.db2.gz GWPAJTBSHXGWNM-CQSZACIVSA-N 0 0 327.424 4.399 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000014912202 563767250 /nfs/dbraw/zinc/76/72/50/563767250.db2.gz YDZJJWJVCUVYPQ-UHFFFAOYSA-N 0 0 333.819 4.187 50 0 EIAARN O=C(N[C@H]1CCSc2ccc(F)cc21)N1CCc2ccccc2C1 ZINC000032873945 563771558 /nfs/dbraw/zinc/77/15/58/563771558.db2.gz MTFSIQFNKQUEQA-KRWDZBQOSA-N 0 0 342.439 4.131 50 0 EIAARN O=C(CSc1nnc(Cc2ccccc2)[nH]1)c1ccc(Cl)cc1 ZINC000015019374 563773550 /nfs/dbraw/zinc/77/35/50/563773550.db2.gz RNTIPCJXLOIAQV-UHFFFAOYSA-N 0 0 343.839 4.024 50 0 EIAARN O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000015019161 563773564 /nfs/dbraw/zinc/77/35/64/563773564.db2.gz RNLFQYSSCJLKJS-OQLLNIDSSA-N 0 0 331.343 4.201 50 0 EIAARN CCN1c2ccc(Br)cc2[C@H](Cc2ccc(F)cc2)C1=O ZINC000015018152 563773567 /nfs/dbraw/zinc/77/35/67/563773567.db2.gz KTIFFCULLFLBAR-HNNXBMFYSA-N 0 0 348.215 4.281 50 0 EIAARN O=C(CNc1ccc(Cl)cc1F)N[C@@H]1CCCc2ccccc21 ZINC000015122787 563778637 /nfs/dbraw/zinc/77/86/37/563778637.db2.gz DLWAWXCXYYWIDQ-MRXNPFEDSA-N 0 0 332.806 4.085 50 0 EIAARN O=C(CCC(=O)c1ccccc1)OCc1cc(-c2cccs2)on1 ZINC000015331813 563783100 /nfs/dbraw/zinc/78/31/00/563783100.db2.gz KPNXQHYWICXIHE-UHFFFAOYSA-N 0 0 341.388 4.109 50 0 EIAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C1CCC1 ZINC000032900337 563784910 /nfs/dbraw/zinc/78/49/10/563784910.db2.gz PJEYJIKQLPESRY-OAHLLOKOSA-N 0 0 336.435 4.258 50 0 EIAARN Cc1nc2cc(C(=O)Nc3ncccc3C)ccc2n1-c1ccccc1 ZINC000015520297 563786103 /nfs/dbraw/zinc/78/61/03/563786103.db2.gz OEXXALNLKLCPBF-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN Cc1cccc(COc2cccc(C(=O)O[C@H]3CCCCC3=O)c2)c1 ZINC000032901725 563788400 /nfs/dbraw/zinc/78/84/00/563788400.db2.gz PNYPPRYSJHDSDD-FQEVSTJZSA-N 0 0 338.403 4.243 50 0 EIAARN CCN(CC)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000032903718 563789575 /nfs/dbraw/zinc/78/95/75/563789575.db2.gz BYOWJTXLMWDINX-UHFFFAOYSA-N 0 0 335.407 4.194 50 0 EIAARN CCOc1ccccc1C(=O)N(Cc1ccc(C)o1)c1ccccn1 ZINC000015669864 563790288 /nfs/dbraw/zinc/79/02/88/563790288.db2.gz HDBDIALBJUDVSW-UHFFFAOYSA-N 0 0 336.391 4.229 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(O)c1 ZINC000015768854 563792141 /nfs/dbraw/zinc/79/21/41/563792141.db2.gz ONAJLRGEMFPPIK-GFCCVEGCSA-N 0 0 329.396 4.175 50 0 EIAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ccc(C)nc21 ZINC000015835282 563794074 /nfs/dbraw/zinc/79/40/74/563794074.db2.gz YRCVNTUVYDPWJB-GOSISDBHSA-N 0 0 338.382 4.478 50 0 EIAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccc(F)cc1)=C2 ZINC000015838671 563794901 /nfs/dbraw/zinc/79/49/01/563794901.db2.gz CFCPLBRYUSPSEA-UHFFFAOYSA-N 0 0 345.757 4.416 50 0 EIAARN Cc1ccc([C@@H](NC(=O)c2ccccc2F)c2cccnc2)cc1C ZINC000015839783 563795119 /nfs/dbraw/zinc/79/51/19/563795119.db2.gz MDQBVIVVSLASDZ-HXUWFJFHSA-N 0 0 334.394 4.357 50 0 EIAARN Cc1ccccc1CSc1nc(=O)n(C2CCCC2)c2c1CCC2 ZINC000015840389 563795543 /nfs/dbraw/zinc/79/55/43/563795543.db2.gz KQTBLLPBFRYSHE-UHFFFAOYSA-N 0 0 340.492 4.448 50 0 EIAARN CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)c2cccnc12 ZINC000015840869 563795747 /nfs/dbraw/zinc/79/57/47/563795747.db2.gz KQEZXHRLSXFACJ-UHFFFAOYSA-N 0 0 340.810 4.468 50 0 EIAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3nsnc3c2)cc1 ZINC000015841270 563796174 /nfs/dbraw/zinc/79/61/74/563796174.db2.gz YIWDSESQWMPRJN-UHFFFAOYSA-N 0 0 341.436 4.006 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)c1cccnc1SCC(F)(F)F ZINC000032907864 563800110 /nfs/dbraw/zinc/80/01/10/563800110.db2.gz ABPZNVXLNUGNID-CMPLNLGQSA-N 0 0 332.391 4.045 50 0 EIAARN CC(C)[C@@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000015974825 563801342 /nfs/dbraw/zinc/80/13/42/563801342.db2.gz ACTHPERTLCEIBT-LLVKDONJSA-N 0 0 332.256 4.325 50 0 EIAARN Cc1nc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)n(C)c2)cs1 ZINC000016206284 563805640 /nfs/dbraw/zinc/80/56/40/563805640.db2.gz JJRBSAFSSYBUPN-UHFFFAOYSA-N 0 0 329.400 4.157 50 0 EIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccncc1 ZINC000016605076 563817092 /nfs/dbraw/zinc/81/70/92/563817092.db2.gz PFOHPHHVDLWXTB-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN O=C(Cc1csc(Cc2ccccc2)n1)N1CCCc2ccccc21 ZINC000032922698 563824442 /nfs/dbraw/zinc/82/44/42/563824442.db2.gz FGLLZETUIBDYCF-UHFFFAOYSA-N 0 0 348.471 4.256 50 0 EIAARN CCN1C(=S)N=NC1c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000017070729 563833271 /nfs/dbraw/zinc/83/32/71/563833271.db2.gz YHFCISLLVFDIDK-UHFFFAOYSA-N 0 0 336.420 4.370 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Nc1ncc(Br)s1 ZINC000017070824 563833459 /nfs/dbraw/zinc/83/34/59/563833459.db2.gz YSUPUOCDXMZBHQ-UHFFFAOYSA-N 0 0 337.198 4.213 50 0 EIAARN Cc1ccc(C(C)C)c(OCc2ccc(C3N=NC(=S)N3C)o2)c1 ZINC000017071715 563834972 /nfs/dbraw/zinc/83/49/72/563834972.db2.gz RLQNYHGBIWRCPV-UHFFFAOYSA-N 0 0 343.452 4.375 50 0 EIAARN Cn1c(COc2ccccc2)nnc1SCc1ccccc1Cl ZINC000017072045 563835365 /nfs/dbraw/zinc/83/53/65/563835365.db2.gz MJQUGDDOIPISAW-UHFFFAOYSA-N 0 0 345.855 4.340 50 0 EIAARN O=c1c2ccccc2nc2sc(-c3cc(Cl)cc(Cl)c3)nn21 ZINC000017072337 563836086 /nfs/dbraw/zinc/83/60/86/563836086.db2.gz QFBOZEVWNPQJEY-UHFFFAOYSA-N 0 0 348.214 4.278 50 0 EIAARN CCOc1cccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)c1O ZINC000000259180 563837152 /nfs/dbraw/zinc/83/71/52/563837152.db2.gz CEHOGVKDYXRPES-LFIBNONCSA-N 0 0 339.416 4.160 50 0 EIAARN Cc1ccccc1CN(C)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000017113807 563837200 /nfs/dbraw/zinc/83/72/00/563837200.db2.gz DCJRNYYKLRKQOL-UHFFFAOYSA-N 0 0 326.484 4.353 50 0 EIAARN O=C(CCC1CCCC1)NCc1ccnc(OCc2ccccc2)c1 ZINC000032930396 563840994 /nfs/dbraw/zinc/84/09/94/563840994.db2.gz QEKZYLVYOSSRSQ-UHFFFAOYSA-N 0 0 338.451 4.247 50 0 EIAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccs1 ZINC000017251888 563841683 /nfs/dbraw/zinc/84/16/83/563841683.db2.gz NPHIRSIMSGIIDK-UHFFFAOYSA-N 0 0 335.841 4.096 50 0 aggregator EIAARN CCCCc1nnc(SCC(=O)Nc2cccc3ccccc32)[nH]1 ZINC000018093782 563848264 /nfs/dbraw/zinc/84/82/64/563848264.db2.gz HYQWTIPQKIBDCZ-UHFFFAOYSA-N 0 0 340.452 4.031 50 0 EIAARN CC1=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000018240928 563851678 /nfs/dbraw/zinc/85/16/78/563851678.db2.gz KMFCGRFHIFHIHO-RTBURBONSA-N 0 0 333.387 4.325 50 0 EIAARN CC(C)[C@@H](C)NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000072055407 563861221 /nfs/dbraw/zinc/86/12/21/563861221.db2.gz PNGMEXBGUQZSSX-CQSZACIVSA-N 0 0 343.496 4.477 50 0 EIAARN CC(C)(c1cc(Cl)cc(Cl)c1)N1C(=O)C2=C(CCCC2)[C@H]1O ZINC000012381823 563863498 /nfs/dbraw/zinc/86/34/98/563863498.db2.gz NCZAYYXHAQQZGF-OAHLLOKOSA-N 0 0 340.250 4.260 50 0 EIAARN COc1ccc(C(=O)c2sc(Nc3cccc(C)c3)nc2N)cc1 ZINC000032947589 563864414 /nfs/dbraw/zinc/86/44/14/563864414.db2.gz GGJMVWPBLMSNPU-UHFFFAOYSA-N 0 0 339.420 4.017 50 0 EIAARN COc1cccc(C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c1 ZINC000022890172 563865339 /nfs/dbraw/zinc/86/53/39/563865339.db2.gz GTMDLOPUUNJEGK-UHFFFAOYSA-N 0 0 335.407 4.058 50 0 EIAARN CCN(Cc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000043405471 563866936 /nfs/dbraw/zinc/86/69/36/563866936.db2.gz UOKFMEWTBZWQCP-UHFFFAOYSA-N 0 0 328.412 4.066 50 0 EIAARN CC[C@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)CCO1 ZINC000023888104 563867579 /nfs/dbraw/zinc/86/75/79/563867579.db2.gz RLHMJMPXSVTVLH-AWEZNQCLSA-N 0 0 343.427 4.113 50 0 EIAARN CCCC(=O)Nc1ccc(OCc2ccccc2F)c(C(C)=O)c1 ZINC000023985894 563867894 /nfs/dbraw/zinc/86/78/94/563867894.db2.gz OOCYUBMAVJWNLM-UHFFFAOYSA-N 0 0 329.371 4.346 50 0 EIAARN O=C(CCCc1cccs1)N[C@H](c1ccccc1)c1ccccn1 ZINC000023996943 563868108 /nfs/dbraw/zinc/86/81/08/563868108.db2.gz RIGGKLWZMFGMIR-HXUWFJFHSA-N 0 0 336.460 4.372 50 0 EIAARN Cc1nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c(=S)s1 ZINC000024013793 563868254 /nfs/dbraw/zinc/86/82/54/563868254.db2.gz MPSJNRWSBAXURX-VIFPVBQESA-N 0 0 336.511 4.243 50 0 EIAARN CC(=O)Nc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000024248148 563870209 /nfs/dbraw/zinc/87/02/09/563870209.db2.gz YCDMMONKKIISJU-UHFFFAOYSA-N 0 0 325.286 4.123 50 0 EIAARN O=C(NCCC1=CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000024538127 563872262 /nfs/dbraw/zinc/87/22/62/563872262.db2.gz QJUSTZXNSVHMIU-UHFFFAOYSA-N 0 0 336.435 4.281 50 0 EIAARN O=C(Nc1ccccc1N1CCCCC1)c1cc(-c2ccco2)on1 ZINC000024613067 563873395 /nfs/dbraw/zinc/87/33/95/563873395.db2.gz WGORNTKMHPXSMT-UHFFFAOYSA-N 0 0 337.379 4.177 50 0 EIAARN Cc1cnc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)s1 ZINC000024679556 563874016 /nfs/dbraw/zinc/87/40/16/563874016.db2.gz SQVYPURMNFLBRW-UHFFFAOYSA-N 0 0 344.415 4.152 50 0 EIAARN CN(C(=O)CCc1nc2ccccc2s1)[C@H]1CCc2ccccc21 ZINC000024828263 563875995 /nfs/dbraw/zinc/87/59/95/563875995.db2.gz OURISJCBOWEIMG-KRWDZBQOSA-N 0 0 336.460 4.375 50 0 EIAARN O=C(Cc1noc2ccccc12)Nc1ccc(Cl)c2ncccc12 ZINC000024828839 563876249 /nfs/dbraw/zinc/87/62/49/563876249.db2.gz NGAPSGJUHCDHGE-UHFFFAOYSA-N 0 0 337.766 4.211 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)CSc1ccc(Cl)cc1 ZINC000024875131 563877378 /nfs/dbraw/zinc/87/73/78/563877378.db2.gz WAXKZMRYOLUGBG-UHFFFAOYSA-N 0 0 347.867 4.420 50 0 EIAARN Cc1nc2sc3c(c2c(SCc2nc(C(C)C)no2)n1)CCC3 ZINC000024989749 563879440 /nfs/dbraw/zinc/87/94/40/563879440.db2.gz IJQCXQBRTHRNJM-UHFFFAOYSA-N 0 0 346.481 4.287 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000025049991 563880313 /nfs/dbraw/zinc/88/03/13/563880313.db2.gz LOBWLOMYEPUQKL-UHFFFAOYSA-N 0 0 327.399 4.016 50 0 EIAARN CCCOc1ccc([C@@H](C)NC(=O)c2ccoc2)cc1OCCC ZINC000025065854 563880780 /nfs/dbraw/zinc/88/07/80/563880780.db2.gz WBLRJLAQKUTMDT-CQSZACIVSA-N 0 0 331.412 4.348 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000025091008 563880891 /nfs/dbraw/zinc/88/08/91/563880891.db2.gz LGJMAXCFYSKPIX-LBPRGKRZSA-N 0 0 337.810 4.322 50 0 EIAARN CCOc1cccc2cc([C@H](C)NC(=O)c3[nH]nc4ccccc43)oc21 ZINC000025139527 563881380 /nfs/dbraw/zinc/88/13/80/563881380.db2.gz CUAKAHKUGCMBPV-LBPRGKRZSA-N 0 0 349.390 4.199 50 0 EIAARN CC(C)[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 ZINC000025159071 563881930 /nfs/dbraw/zinc/88/19/30/563881930.db2.gz SBAMSOBELZIFLE-LJQANCHMSA-N 0 0 337.398 4.139 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1Cc1ccco1 ZINC000025439237 563884738 /nfs/dbraw/zinc/88/47/38/563884738.db2.gz BFDLSLYBRSDFAS-UHFFFAOYSA-N 0 0 330.334 4.277 50 0 EIAARN O=C(Nc1ccc(Cl)cn1)c1occc1COc1ccccc1 ZINC000026089155 563889886 /nfs/dbraw/zinc/88/98/86/563889886.db2.gz AAEDERVYNRJVJX-UHFFFAOYSA-N 0 0 328.755 4.159 50 0 EIAARN CC[C@@H](C(=O)NCc1cccc(NC(=O)C(C)C)c1)c1ccccc1 ZINC000026385071 563891471 /nfs/dbraw/zinc/89/14/71/563891471.db2.gz BFHNLOCOMOQUMV-LJQANCHMSA-N 0 0 338.451 4.091 50 0 EIAARN Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cc1F ZINC000026564588 563892120 /nfs/dbraw/zinc/89/21/20/563892120.db2.gz LHJXJFNEAJAXNU-UHFFFAOYSA-N 0 0 325.792 4.451 50 0 EIAARN Cc1noc(C)c1CN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000026639654 563892610 /nfs/dbraw/zinc/89/26/10/563892610.db2.gz SKMYJJQHMDLAHL-UHFFFAOYSA-N 0 0 326.440 4.003 50 0 EIAARN O=C(CN(Cc1ccccc1F)c1ccccc1F)NC1CCCC1 ZINC000072269968 563895839 /nfs/dbraw/zinc/89/58/39/563895839.db2.gz LYZJGBFMZOJDMV-UHFFFAOYSA-N 0 0 344.405 4.030 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3)no2)cc1 ZINC000027579940 563896828 /nfs/dbraw/zinc/89/68/28/563896828.db2.gz KORGVIVTZMGOTF-UHFFFAOYSA-N 0 0 338.363 4.001 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)no2)cc1 ZINC000027580031 563896862 /nfs/dbraw/zinc/89/68/62/563896862.db2.gz FYYPLQNMRNZDKM-UHFFFAOYSA-N 0 0 326.327 4.132 50 0 EIAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000027588481 563897613 /nfs/dbraw/zinc/89/76/13/563897613.db2.gz JAGVEEWNOQSGNW-OAHLLOKOSA-N 0 0 347.480 4.167 50 0 EIAARN COc1ccc(OC)c(CN(Cc2nc3ccccc3o2)C2CC2)c1 ZINC000027604245 563897652 /nfs/dbraw/zinc/89/76/52/563897652.db2.gz OHOLFJZJSHBCSI-UHFFFAOYSA-N 0 0 338.407 4.010 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1nonc1-c1ccc(Cl)cc1 ZINC000027663708 563898554 /nfs/dbraw/zinc/89/85/54/563898554.db2.gz FVJWVGMTAGGBSL-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN Cc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000027987752 563900610 /nfs/dbraw/zinc/90/06/10/563900610.db2.gz HNFALROAOPUETG-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccc(F)cc2)no1 ZINC000027993984 563900823 /nfs/dbraw/zinc/90/08/23/563900823.db2.gz XYDNNRPAWGNFIN-UHFFFAOYSA-N 0 0 340.354 4.115 50 0 EIAARN CSc1ncc(Cl)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000027995573 563901114 /nfs/dbraw/zinc/90/11/14/563901114.db2.gz POJFOJFGZUQUOA-UHFFFAOYSA-N 0 0 339.207 4.222 50 0 EIAARN Cc1ccccc1[C@H](Sc1nc2ncccn2n1)c1ccccc1 ZINC000028190118 563901539 /nfs/dbraw/zinc/90/15/39/563901539.db2.gz LKNVRYXZNRWMPD-QGZVFWFLSA-N 0 0 332.432 4.314 50 0 EIAARN CCOCc1ccccc1CNC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000028347363 563902663 /nfs/dbraw/zinc/90/26/63/563902663.db2.gz YJOGYWLBJWWTIO-FQEVSTJZSA-N 0 0 338.451 4.174 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccs3)cs2)o1 ZINC000028427154 563902871 /nfs/dbraw/zinc/90/28/71/563902871.db2.gz LZJYWUPMTPSRBY-NSHDSACASA-N 0 0 332.450 4.193 50 0 EIAARN CCc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 ZINC000028683278 563903759 /nfs/dbraw/zinc/90/37/59/563903759.db2.gz FCKXQODIVGAFGO-CQSZACIVSA-N 0 0 343.496 4.190 50 0 EIAARN COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000028758304 563903938 /nfs/dbraw/zinc/90/39/38/563903938.db2.gz ZEKBNMFDVLSPAC-LLVKDONJSA-N 0 0 338.329 4.153 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(C)c(NC(C)=O)c2C)cc1C ZINC000072280782 563904314 /nfs/dbraw/zinc/90/43/14/563904314.db2.gz ZYQQZFCAFHTVRY-UHFFFAOYSA-N 0 0 340.423 4.221 50 0 EIAARN C[C@@H](COCc1ccccc1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072285823 563907197 /nfs/dbraw/zinc/90/71/97/563907197.db2.gz CMCLYCLMFXIHLM-DOTOQJQBSA-N 0 0 344.480 4.050 50 0 EIAARN C[C@H](Sc1ncnc2ccsc21)c1nc(-c2ccco2)no1 ZINC000029740345 563908440 /nfs/dbraw/zinc/90/84/40/563908440.db2.gz NFBKDZYOTAYPTQ-QMMMGPOBSA-N 0 0 330.394 4.188 50 0 EIAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(Cl)c[nH]1 ZINC000029794934 563908513 /nfs/dbraw/zinc/90/85/13/563908513.db2.gz QAOZAVCPZVTAND-UHFFFAOYSA-N 0 0 342.811 4.297 50 0 EIAARN COCc1cccc(C(=O)Nc2ccccc2N2CCCCCC2)c1 ZINC000029847859 563908718 /nfs/dbraw/zinc/90/87/18/563908718.db2.gz HFAKXIITIUOUTI-UHFFFAOYSA-N 0 0 338.451 4.466 50 0 EIAARN O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cccs1 ZINC000030295756 563909728 /nfs/dbraw/zinc/90/97/28/563909728.db2.gz WXVRMRGNHPJYIY-UHFFFAOYSA-N 0 0 341.407 4.396 50 0 EIAARN O=C(Nc1ccccc1)c1ccc(CN2CCOc3ccccc32)cc1 ZINC000030594569 563910049 /nfs/dbraw/zinc/91/00/49/563910049.db2.gz LXMAGCPIFBIUFF-UHFFFAOYSA-N 0 0 344.414 4.338 50 0 EIAARN CN(C)C(=O)CCc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000030766102 563910707 /nfs/dbraw/zinc/91/07/07/563910707.db2.gz OMKBCJCTZORRTK-UHFFFAOYSA-N 0 0 345.830 4.005 50 0 EIAARN Cn1cnc2ccc(NCCC(=O)C34CC5CC(CC(C5)C3)C4)cc21 ZINC000030952866 563911909 /nfs/dbraw/zinc/91/19/09/563911909.db2.gz HHODYWPWEWOJOS-UHFFFAOYSA-N 0 0 337.467 4.161 50 0 EIAARN Cc1c(C(=O)N2C[C@H](C)CCC[C@H]2C)sc2nc(C)nc(C)c12 ZINC000072295437 563912079 /nfs/dbraw/zinc/91/20/79/563912079.db2.gz DDGCWOKATKYXEN-GHMZBOCLSA-N 0 0 331.485 4.267 50 0 EIAARN Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)n1 ZINC000072298869 563912390 /nfs/dbraw/zinc/91/23/90/563912390.db2.gz KSVIDYQIJMQRSX-DLBZAZTESA-N 0 0 340.492 4.278 50 0 EIAARN Cc1ccc(N(C(=O)NCc2ccccc2)C2=NC[C@H](C)S2)cc1 ZINC000003103139 563912601 /nfs/dbraw/zinc/91/26/01/563912601.db2.gz JEZNHODHUBBEKI-HNNXBMFYSA-N 0 0 339.464 4.203 50 0 EIAARN Cc1ccc(N(C(=O)NCc2ccccc2)C2=NC[C@@H](C)S2)cc1 ZINC000003103138 563912608 /nfs/dbraw/zinc/91/26/08/563912608.db2.gz JEZNHODHUBBEKI-OAHLLOKOSA-N 0 0 339.464 4.203 50 0 EIAARN Cn1nc(C(F)(F)F)c(C=O)c1Oc1ccccc1C(F)(F)F ZINC000032911289 563914456 /nfs/dbraw/zinc/91/44/56/563914456.db2.gz KWNUXRYGYZTANR-UHFFFAOYSA-N 0 0 338.207 4.063 50 0 EIAARN C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccccc1Cl ZINC000177505723 563916286 /nfs/dbraw/zinc/91/62/86/563916286.db2.gz SQBGEFSJFQOPJB-JTQLQIEISA-N 0 0 327.833 4.160 50 0 EIAARN CCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 ZINC000032961136 563916715 /nfs/dbraw/zinc/91/67/15/563916715.db2.gz LXQDKQZQSKWYGQ-UHFFFAOYSA-N 0 0 343.383 4.036 50 0 EIAARN O=C(c1ccc(F)cc1)c1ccc(N[S@](=O)c2ccccc2)cc1 ZINC000015636862 563916779 /nfs/dbraw/zinc/91/67/79/563916779.db2.gz MTKZRXDHEPAGMA-DEOSSOPVSA-N 0 0 339.391 4.191 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2ccc(OC)c3ccccc23)c1 ZINC000000120968 563916985 /nfs/dbraw/zinc/91/69/85/563916985.db2.gz FWCIXCGOQJVVHX-UHFFFAOYSA-N 0 0 337.375 4.118 50 0 EIAARN FC(F)(F)c1cccc(NC(=S)Nc2ccc3nccnc3c2)c1 ZINC000000613350 563917738 /nfs/dbraw/zinc/91/77/38/563917738.db2.gz WJNWBHPUCVXAPW-UHFFFAOYSA-N 0 0 348.353 4.458 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Cc1cc(C)n(-c2ccc(C[S@](=O)Cc3ccc(F)cc3)cc2)n1 ZINC000096448058 563953501 /nfs/dbraw/zinc/95/35/01/563953501.db2.gz IXWFUFIHTKBNGV-DEOSSOPVSA-N 0 0 342.439 4.077 50 0 EIAARN CCCn1cc(CNC(=O)c2cc3cn(C(C)C)cc3s2)c(C)n1 ZINC000097944834 563956474 /nfs/dbraw/zinc/95/64/74/563956474.db2.gz YHENVCKRMGPYER-UHFFFAOYSA-N 0 0 344.484 4.129 50 0 EIAARN CCCOc1ccc(CN2CCC[C@H]2c2cc(C)no2)cc1OC ZINC000064666852 563956987 /nfs/dbraw/zinc/95/69/87/563956987.db2.gz UTEFOGDIDUTHIG-INIZCTEOSA-N 0 0 330.428 4.118 50 0 EIAARN Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000064983885 563957417 /nfs/dbraw/zinc/95/74/17/563957417.db2.gz UVBWLVWORGDJGR-LJQANCHMSA-N 0 0 347.455 4.440 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccccc2C(F)(F)F)on1 ZINC000064984825 563957801 /nfs/dbraw/zinc/95/78/01/563957801.db2.gz VZGHVSVNAJYEHH-CYBMUJFWSA-N 0 0 339.317 4.371 50 0 EIAARN Cc1cccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c1 ZINC000065363162 563958146 /nfs/dbraw/zinc/95/81/46/563958146.db2.gz NCDDZJUGXRHNHE-UHFFFAOYSA-N 0 0 333.395 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Cc1cccc(N(C)C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1 ZINC000033254325 563966052 /nfs/dbraw/zinc/96/60/52/563966052.db2.gz JTUXBZPWZSBXRF-UHFFFAOYSA-N 0 0 333.391 4.199 50 0 EIAARN Cc1ccc(Nc2nc(N)c(C(=O)c3ccc(F)cc3)s2)cc1 ZINC000033251780 563966096 /nfs/dbraw/zinc/96/60/96/563966096.db2.gz CLLUJRLKQWEKEJ-UHFFFAOYSA-N 0 0 327.384 4.147 50 0 EIAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)no1 ZINC000033254198 563966118 /nfs/dbraw/zinc/96/61/18/563966118.db2.gz ZICCYRPLOIPYQM-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)c(C)c1 ZINC000033257757 563966224 /nfs/dbraw/zinc/96/62/24/563966224.db2.gz OMJHJHDGMPWTAK-UHFFFAOYSA-N 0 0 335.407 4.159 50 0 EIAARN O=C(/C=C\c1ccccc1F)NCCCCOc1ccc(Cl)cc1 ZINC000096973051 563966582 /nfs/dbraw/zinc/96/65/82/563966582.db2.gz VUYNNYKSHFRKJS-GHXNOFRVSA-N 0 0 347.817 4.468 50 0 EIAARN CC(C)[C@H](C)NC(=O)c1cc(N2CCC[C@H](C)C2)nc2ccccc21 ZINC000022346873 563966810 /nfs/dbraw/zinc/96/68/10/563966810.db2.gz QWWNHHRGIOGLFD-HOTGVXAUSA-N 0 0 339.483 4.245 50 0 EIAARN CCc1cc([C@H]2CCCN2Cc2c[nH]nc2-c2cccs2)on1 ZINC000075448530 563967331 /nfs/dbraw/zinc/96/73/31/563967331.db2.gz BNBIUHPFDYRTBY-CQSZACIVSA-N 0 0 328.441 4.026 50 0 EIAARN COc1ccc(CNc2ccncc2F)cc1OCc1ccccc1 ZINC000097101124 563967714 /nfs/dbraw/zinc/96/77/14/563967714.db2.gz YRPVFUIFMOGERM-UHFFFAOYSA-N 0 0 338.382 4.420 50 0 EIAARN CC(=O)c1c(C)nc(-c2ccc(OCc3ccccc3F)cc2)n1O ZINC000000032901 563967777 /nfs/dbraw/zinc/96/77/77/563967777.db2.gz JIFBNEAZSDQMDT-UHFFFAOYSA-N 0 0 340.354 4.017 50 0 EIAARN O=C(Cn1c2ccccc2nc1C(=O)c1ccccc1)c1ccccc1 ZINC000000035104 563968035 /nfs/dbraw/zinc/96/80/35/563968035.db2.gz ZJUAZFQIZDHPIY-UHFFFAOYSA-N 0 0 340.382 4.150 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000000036883 563968378 /nfs/dbraw/zinc/96/83/78/563968378.db2.gz QHVQKCTUKJKOFI-UHFFFAOYSA-N 0 0 342.826 4.111 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]3c3cc(C)no3)c2c1 ZINC000077287685 563968739 /nfs/dbraw/zinc/96/87/39/563968739.db2.gz SZBHOQNPDQGMDY-LJQANCHMSA-N 0 0 349.434 4.379 50 0 EIAARN Cc1nc([C@H](C)N(C)C(=O)c2c[nH]nc2C2CCCCC2)c(C)s1 ZINC000077287974 563968767 /nfs/dbraw/zinc/96/87/67/563968767.db2.gz OWWIYEDVVIEWQV-NSHDSACASA-N 0 0 346.500 4.364 50 0 EIAARN COc1cccc([C@H]2CCCCN2C(=O)c2cccc(N(C)C)c2)c1 ZINC000077342898 563969081 /nfs/dbraw/zinc/96/90/81/563969081.db2.gz DKJMNZLZVCRPPM-HXUWFJFHSA-N 0 0 338.451 4.129 50 0 EIAARN CCc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)o1 ZINC000077388245 563969318 /nfs/dbraw/zinc/96/93/18/563969318.db2.gz RODSAXURJRPIKH-CYBMUJFWSA-N 0 0 341.436 4.132 50 0 EIAARN COc1cccc([C@@H]2CCCN2C(=O)c2ccc(CSC)o2)c1 ZINC000077419567 563969534 /nfs/dbraw/zinc/96/95/34/563969534.db2.gz PVUHFIKJRHTVNM-INIZCTEOSA-N 0 0 331.437 4.129 50 0 EIAARN Cc1noc(C)c1Cn1ccnc1-c1nc(-c2cccs2)oc1C ZINC000077407550 563969546 /nfs/dbraw/zinc/96/95/46/563969546.db2.gz OUWDMBKJKCBFBV-UHFFFAOYSA-N 0 0 340.408 4.228 50 0 EIAARN CC(C)c1nc(CN(C)Cc2c[nH]c(CC3CCCC3)n2)cs1 ZINC000077422620 563969555 /nfs/dbraw/zinc/96/95/55/563969555.db2.gz WJNIBRXHUQAFIV-UHFFFAOYSA-N 0 0 332.517 4.354 50 0 EIAARN COc1cccc([C@@H]2CCCCN2C(=O)c2cccnc2SC)c1 ZINC000077485541 563969920 /nfs/dbraw/zinc/96/99/20/563969920.db2.gz STPQGPSIKGAKON-KRWDZBQOSA-N 0 0 342.464 4.180 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)ccc1F ZINC000077486840 563969972 /nfs/dbraw/zinc/96/99/72/563969972.db2.gz BMIAZHHBVJUBFC-OAHLLOKOSA-N 0 0 345.389 4.204 50 0 EIAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N(C)Cc1nccs1 ZINC000077503725 563970020 /nfs/dbraw/zinc/97/00/20/563970020.db2.gz CNHJONMGMFVAPU-UHFFFAOYSA-N 0 0 334.828 4.432 50 0 EIAARN O=C(c1ccc2occc2c1)N1CCC(OCc2ccccc2)CC1 ZINC000077506099 563970128 /nfs/dbraw/zinc/97/01/28/563970128.db2.gz PHKLTQWFSRBAPO-UHFFFAOYSA-N 0 0 335.403 4.254 50 0 EIAARN Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)c1 ZINC000077517866 563970182 /nfs/dbraw/zinc/97/01/82/563970182.db2.gz QUJRMAMLMXHFIP-QGZVFWFLSA-N 0 0 348.446 4.408 50 0 EIAARN Cc1ccccc1NC(=O)Cn1ccnc1-c1cccc(Cl)c1 ZINC000077540986 563970245 /nfs/dbraw/zinc/97/02/45/563970245.db2.gz ITBFVEXJSMUBJE-UHFFFAOYSA-N 0 0 325.799 4.151 50 0 EIAARN O=C(CC1CCSCC1)N(Cc1ccccc1F)c1ccncc1 ZINC000097228144 563970616 /nfs/dbraw/zinc/97/06/16/563970616.db2.gz BGNDNHJWHJKOKD-UHFFFAOYSA-N 0 0 344.455 4.287 50 0 EIAARN O=C(NC1CCC(c2ccccc2)CC1)Nn1cnc2ccccc21 ZINC000096998092 563970931 /nfs/dbraw/zinc/97/09/31/563970931.db2.gz UUVHJROPCYBVSO-UHFFFAOYSA-N 0 0 334.423 4.016 50 0 EIAARN Clc1nccc2cc(CNCc3noc4c3CCCC4)sc21 ZINC000585136377 563971867 /nfs/dbraw/zinc/97/18/67/563971867.db2.gz CWDGLWDLOLRPIN-UHFFFAOYSA-N 0 0 333.844 4.106 50 0 EIAARN Cc1oc(-c2ccc(F)cc2)nc1Cc1ccccc1C(=O)N(C)C ZINC000082086981 563972004 /nfs/dbraw/zinc/97/20/04/563972004.db2.gz CTYMKRALKJWYQY-UHFFFAOYSA-N 0 0 338.382 4.082 50 0 EIAARN O=C(c1sccc1Cl)N1CCC(c2nccn2CC2CC2)CC1 ZINC000082096892 563972149 /nfs/dbraw/zinc/97/21/49/563972149.db2.gz VOKLTDGCENJUFG-UHFFFAOYSA-N 0 0 349.887 4.028 50 0 EIAARN O=C(C1=Cc2ccccc2OC=C1)N1CC[C@@H](c2ccccc2F)C1 ZINC000082099804 563972261 /nfs/dbraw/zinc/97/22/61/563972261.db2.gz YYJJMXOXYMHDHI-QGZVFWFLSA-N 0 0 335.378 4.131 50 0 EIAARN O=C(c1csc(-c2ccccc2)n1)N1CCC(c2ccncc2)CC1 ZINC000082145819 563972723 /nfs/dbraw/zinc/97/27/23/563972723.db2.gz HTJNNJMOUJJYJV-UHFFFAOYSA-N 0 0 349.459 4.225 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000033279048 563972888 /nfs/dbraw/zinc/97/28/88/563972888.db2.gz LOBDZCDZEBGJAV-LBPRGKRZSA-N 0 0 339.370 4.071 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(Cl)s1 ZINC000060643436 563973020 /nfs/dbraw/zinc/97/30/20/563973020.db2.gz ZXNDCDHZSOLXLC-MRXNPFEDSA-N 0 0 328.824 4.316 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1Cl ZINC000060643199 563973049 /nfs/dbraw/zinc/97/30/49/563973049.db2.gz QSOUTAUGWAKCNV-GOSISDBHSA-N 0 0 340.785 4.394 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033297988 563973101 /nfs/dbraw/zinc/97/31/01/563973101.db2.gz ICTGRCZYSQJGOC-HIFRSBDPSA-N 0 0 339.464 4.396 50 0 EIAARN C[S@](=O)Cc1cccc(N[C@H](c2ccccc2)c2ccccn2)c1 ZINC000097233993 563973286 /nfs/dbraw/zinc/97/32/86/563973286.db2.gz UNECVAPURIXFAC-HYBUGGRVSA-N 0 0 336.460 4.162 50 0 EIAARN O=C(Nc1ccccc1)c1nn(-c2ccc(F)cc2)c2ccccc12 ZINC000033300673 563973293 /nfs/dbraw/zinc/97/32/93/563973293.db2.gz KGYDEXUTMPODER-UHFFFAOYSA-N 0 0 331.350 4.417 50 0 EIAARN Cc1ccccc1-c1noc(-c2cccnc2N2CCC(C)CC2)n1 ZINC000033317758 563973657 /nfs/dbraw/zinc/97/36/57/563973657.db2.gz LHGPJHAOGKISOS-UHFFFAOYSA-N 0 0 334.423 4.343 50 0 EIAARN CC(=O)c1ccc2[nH]c(C)c(CN(C)Cc3ccccc3)c(=O)c2c1 ZINC000008572561 563974296 /nfs/dbraw/zinc/97/42/96/563974296.db2.gz WOWMHEQMIRLQRK-UHFFFAOYSA-N 0 0 334.419 4.083 50 0 EIAARN COc1ccccc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000000077656 563974534 /nfs/dbraw/zinc/97/45/34/563974534.db2.gz NTCDKBUCPVIKEK-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN Cc1nn(C(=O)c2ccc(C(C)(C)C)cc2)c(N)c1-c1ccccc1 ZINC000000106471 563974737 /nfs/dbraw/zinc/97/47/37/563974737.db2.gz JPLICXZPFLQUQY-UHFFFAOYSA-N 0 0 333.435 4.427 50 0 EIAARN CC[C@H](c1nc(C)c(C)s1)n1cc(-c2csc(C(C)=O)c2)nn1 ZINC000092021001 563975974 /nfs/dbraw/zinc/97/59/74/563975974.db2.gz SKBZAFKNJFMKMY-CQSZACIVSA-N 0 0 346.481 4.282 50 0 EIAARN CSCc1nnc(SCCCOc2ccc(Cl)cc2)o1 ZINC000043878083 563976079 /nfs/dbraw/zinc/97/60/79/563976079.db2.gz RIFTYOPIVOTXPB-UHFFFAOYSA-N 0 0 330.862 4.147 50 0 EIAARN CN(C[C@H]1CCCCO1)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000095500715 563977060 /nfs/dbraw/zinc/97/70/60/563977060.db2.gz IJMSATNDXZDUMF-GFCCVEGCSA-N 0 0 348.390 4.331 50 0 EIAARN CCn1cncc1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1C ZINC000095508203 563977182 /nfs/dbraw/zinc/97/71/82/563977182.db2.gz AYXWSURTRQAODG-NRFANRHFSA-N 0 0 347.462 4.050 50 0 EIAARN O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccno1 ZINC000095528538 563977511 /nfs/dbraw/zinc/97/75/11/563977511.db2.gz HCUJKLFHDMCBGG-SFHVURJKSA-N 0 0 340.810 4.166 50 0 EIAARN Cc1ccc2c(cccc2NC(=O)NCCCC[C@H]2CCCO2)n1 ZINC000096151473 563979707 /nfs/dbraw/zinc/97/97/07/563979707.db2.gz BDRNADCLIQBDSM-HNNXBMFYSA-N 0 0 327.428 4.014 50 0 EIAARN CCCSc1ccc(NC(=O)N(C)Cc2nccn2CC)cc1 ZINC000096160354 563979807 /nfs/dbraw/zinc/97/98/07/563979807.db2.gz SJRSVNPJQGPGIV-UHFFFAOYSA-N 0 0 332.473 4.069 50 0 EIAARN O=C(Nc1ccc(F)cc1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000011563079 563980784 /nfs/dbraw/zinc/98/07/84/563980784.db2.gz FMBSFVOZFRCYRF-UHFFFAOYSA-N 0 0 336.370 4.023 50 0 EIAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCC[C@H]1c1ccsc1 ZINC000247835657 563983650 /nfs/dbraw/zinc/98/36/50/563983650.db2.gz MFSRWAFJAJFPNV-JKSUJKDBSA-N 0 0 335.856 4.453 50 0 EIAARN Cc1ccc(-c2nnc(CN(Cc3cccs3)C3CC3)o2)cc1 ZINC000046512212 563983996 /nfs/dbraw/zinc/98/39/96/563983996.db2.gz HJEIANUDYDULFW-UHFFFAOYSA-N 0 0 325.437 4.271 50 0 EIAARN Cc1cc(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)c(C)c1 ZINC000014426582 563984160 /nfs/dbraw/zinc/98/41/60/563984160.db2.gz LZCGJEKKECDILJ-UHFFFAOYSA-N 0 0 339.435 4.343 50 0 EIAARN CC(=O)O[C@H]1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)C1(C)C ZINC000000118688 563986712 /nfs/dbraw/zinc/98/67/12/563986712.db2.gz UAUUBSHOVAJNJQ-OALUTQOASA-N 0 0 339.391 4.213 50 0 EIAARN Cc1ccc(C)c(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)c1 ZINC000000121775 563986802 /nfs/dbraw/zinc/98/68/02/563986802.db2.gz OVQQCFSRLCRCNJ-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1ccccc1Br ZINC000000122098 563986816 /nfs/dbraw/zinc/98/68/16/563986816.db2.gz LZVRJIYLOAFTCB-UHFFFAOYSA-N 0 0 340.217 4.319 50 0 EIAARN COC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000000132273 563987013 /nfs/dbraw/zinc/98/70/13/563987013.db2.gz WUGPPVYKUIZTDF-SNVBAGLBSA-N 0 0 330.434 4.012 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)OCO2)Oc1ccc(Cl)cc1Cl ZINC000000146692 563987129 /nfs/dbraw/zinc/98/71/29/563987129.db2.gz GRLISAVODBWCNQ-QHHAFSJGSA-N 0 0 337.158 4.341 50 0 EIAARN CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@@H]1[C@@H]2C ZINC000000183402 563987904 /nfs/dbraw/zinc/98/79/04/563987904.db2.gz KPUIORAMYKZOGW-DAQZSUFXSA-N 0 0 329.440 4.489 50 0 biogenic EIAARN COc1cccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 ZINC000000182991 563987965 /nfs/dbraw/zinc/98/79/65/563987965.db2.gz QDVXMGCFEJLXBT-UHFFFAOYSA-N 0 0 343.386 4.262 50 0 EIAARN Cc1cccc(C(=O)Oc2ccc(C(=S)N3CCCCC3)cc2)c1 ZINC000000193156 563988189 /nfs/dbraw/zinc/98/81/89/563988189.db2.gz RDVMOAUOEYXTNF-UHFFFAOYSA-N 0 0 339.460 4.376 50 0 EIAARN CC(=O)c1sc(NC(=O)c2cc(Cl)cc(Cl)c2)nc1C ZINC000000193508 563988213 /nfs/dbraw/zinc/98/82/13/563988213.db2.gz LHLXMBFSMLYAJD-UHFFFAOYSA-N 0 0 329.208 4.213 50 0 EIAARN Fc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000000205872 563988515 /nfs/dbraw/zinc/98/85/15/563988515.db2.gz ZQBUZNPHZFDPCF-CVEARBPZSA-N 0 0 328.778 4.217 50 0 EIAARN CCOC(=O)c1sc2ncnc(Nc3ccc(C)c(F)c3)c2c1C ZINC000000215346 563988633 /nfs/dbraw/zinc/98/86/33/563988633.db2.gz ONMRKCWHIHZYAZ-UHFFFAOYSA-N 0 0 345.399 4.368 50 0 EIAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCCC1 ZINC000000217685 563988742 /nfs/dbraw/zinc/98/87/42/563988742.db2.gz ZWLAIFCCUFFFGD-FOIQADDNSA-N 0 0 348.446 4.004 50 0 EIAARN COc1ccccc1CNC(=O)c1ccc2c(c1)ncn2C1CCCC1 ZINC000000218904 563988769 /nfs/dbraw/zinc/98/87/69/563988769.db2.gz GNDBFQCYDJUWGC-UHFFFAOYSA-N 0 0 349.434 4.090 50 0 EIAARN Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 ZINC000000222335 563988889 /nfs/dbraw/zinc/98/88/89/563988889.db2.gz CRWSCNNBAURXLK-LSDHHAIUSA-N 0 0 346.221 4.126 50 0 EIAARN CC(=O)c1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1 ZINC000000223770 563988903 /nfs/dbraw/zinc/98/89/03/563988903.db2.gz TYFPUUYTOFGOIH-UHFFFAOYSA-N 0 0 340.404 4.195 50 0 EIAARN CC(=O)c1cccc(NC(=O)CCn2c3ccccc3oc2=S)c1 ZINC000000224658 563988993 /nfs/dbraw/zinc/98/89/93/563988993.db2.gz UXKAKFIQXGWKHU-UHFFFAOYSA-N 0 0 340.404 4.195 50 0 EIAARN CC(C)C(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000000241433 563989169 /nfs/dbraw/zinc/98/91/69/563989169.db2.gz ZHSJWQULLGUQDL-LLVKDONJSA-N 0 0 344.069 4.220 50 0 EIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1 ZINC000000253042 563989415 /nfs/dbraw/zinc/98/94/15/563989415.db2.gz 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Cc1ccc(-c2nnc([C@@H](C)SC(=S)N3CCCC3)o2)cc1 ZINC000017665446 564012056 /nfs/dbraw/zinc/01/20/56/564012056.db2.gz UMUFJQQJGVLHOH-GFCCVEGCSA-N 0 0 333.482 4.220 50 0 EIAARN Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@H]1C2 ZINC000409413567 564012233 /nfs/dbraw/zinc/01/22/33/564012233.db2.gz GHWUZZCCPXLMSI-SBMNMINASA-N 0 0 328.500 4.135 50 0 EIAARN FC(F)n1ccnc1CNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000174586986 564012924 /nfs/dbraw/zinc/01/29/24/564012924.db2.gz KQMBJMVMAAIIIR-UHFFFAOYSA-N 0 0 345.315 4.466 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000001057181 564012976 /nfs/dbraw/zinc/01/29/76/564012976.db2.gz JWXTZYUOZPQIRP-UHFFFAOYSA-N 0 0 341.338 4.309 50 0 EIAARN CC(=O)c1ccccc1OCCOc1ccc(C)c2c1C(=O)C[C@H]2C ZINC000014708228 564013063 /nfs/dbraw/zinc/01/30/63/564013063.db2.gz MYKYBGBPNZRGOA-CQSZACIVSA-N 0 0 338.403 4.345 50 0 EIAARN Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000017836539 564013094 /nfs/dbraw/zinc/01/30/94/564013094.db2.gz CWHAWZXDHHJZSO-TXEJJXNPSA-N 0 0 333.815 4.158 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000002065098 564013251 /nfs/dbraw/zinc/01/32/51/564013251.db2.gz UCGIAGQSHHYVBL-UHFFFAOYSA-N 0 0 347.798 4.168 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c(F)c1 ZINC000176233932 564013365 /nfs/dbraw/zinc/01/33/65/564013365.db2.gz GAMIJXPOFAQBRF-KRWDZBQOSA-N 0 0 339.370 4.114 50 0 EIAARN COc1ccc(-c2nnc(SCc3ccccc3Cl)n2C)cc1 ZINC000005848653 564014315 /nfs/dbraw/zinc/01/43/15/564014315.db2.gz POTREMSLDAMDPO-UHFFFAOYSA-N 0 0 345.855 4.436 50 0 EIAARN O=C(Cc1noc(-c2ccccc2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000016579348 564014506 /nfs/dbraw/zinc/01/45/06/564014506.db2.gz DZCBZOXBHIESAW-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccccc3Cl)n2)c1 ZINC000016579168 564014519 /nfs/dbraw/zinc/01/45/19/564014519.db2.gz ZCTFEVRKRHCKEZ-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN CC(C)c1ccc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cc1Cl ZINC000189527343 564015358 /nfs/dbraw/zinc/01/53/58/564015358.db2.gz XRHLZAQRCXBWOM-KRWDZBQOSA-N 0 0 345.874 4.347 50 0 EIAARN CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc1Cl ZINC000189527323 564015371 /nfs/dbraw/zinc/01/53/71/564015371.db2.gz XRHLZAQRCXBWOM-QGZVFWFLSA-N 0 0 345.874 4.347 50 0 EIAARN CCc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)cc2oc1=O ZINC000000488591 564017359 /nfs/dbraw/zinc/01/73/59/564017359.db2.gz NLOYUWUAIVLYRX-CQSZACIVSA-N 0 0 336.387 4.314 50 0 biogenic EIAARN COc1ccc(Nc2cc(C)nc(Nc3ccc(OC)cc3)n2)cc1 ZINC000000494192 564017791 /nfs/dbraw/zinc/01/77/91/564017791.db2.gz CXZBMPDUEFPIPW-UHFFFAOYSA-N 0 0 336.395 4.289 50 0 EIAARN COc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 ZINC000000508127 564019828 /nfs/dbraw/zinc/01/98/28/564019828.db2.gz FSTLCGGCVFGNLM-UHFFFAOYSA-N 0 0 342.358 4.237 50 0 EIAARN Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C)o1 ZINC000102199421 564019903 /nfs/dbraw/zinc/01/99/03/564019903.db2.gz QQTRQHNUZMDVQA-ISTRZQFTSA-N 0 0 336.428 4.057 50 0 EIAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)NC1CCCCC1 ZINC000102201029 564019920 /nfs/dbraw/zinc/01/99/20/564019920.db2.gz HQVGHDZXZAGNNU-UHFFFAOYSA-N 0 0 343.427 4.069 50 0 EIAARN ClC(Cl)(Cl)c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000000521258 564021020 /nfs/dbraw/zinc/02/10/20/564021020.db2.gz ILGKEEGYZWNZHK-UHFFFAOYSA-N 0 0 347.658 4.045 50 0 EIAARN Cc1cc(C)n([C@H]2CCCC[C@H]2OC(=O)CCc2ccccc2)n1 ZINC000000521956 564021086 /nfs/dbraw/zinc/02/10/86/564021086.db2.gz QQKZHLKZHQGJCS-RBUKOAKNSA-N 0 0 326.440 4.160 50 0 EIAARN CCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3 ZINC000000550204 564022867 /nfs/dbraw/zinc/02/28/67/564022867.db2.gz MTMDCAQQYRTPCY-UHFFFAOYSA-N 0 0 342.489 4.356 50 0 EIAARN CSc1nc2sc3c(c2c(NCc2ccco2)n1)CCCC3 ZINC000000554402 564023070 /nfs/dbraw/zinc/02/30/70/564023070.db2.gz MHPYHXZLXLFIKL-UHFFFAOYSA-N 0 0 331.466 4.497 50 0 EIAARN COc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1Cl ZINC000000569742 564023507 /nfs/dbraw/zinc/02/35/07/564023507.db2.gz JCTPAOCCLYTEET-UHFFFAOYSA-N 0 0 330.815 4.201 50 0 EIAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2cccc(F)c2)c1Cl ZINC000014704488 564023748 /nfs/dbraw/zinc/02/37/48/564023748.db2.gz VTPTVGSSKHFMQI-UHFFFAOYSA-N 0 0 349.576 4.120 50 0 EIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1OC(F)F ZINC000014790021 564023877 /nfs/dbraw/zinc/02/38/77/564023877.db2.gz SEXIGKDRWPDIEC-UHFFFAOYSA-N 0 0 345.267 4.237 50 0 EIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cnccc1C ZINC000104452587 564023911 /nfs/dbraw/zinc/02/39/11/564023911.db2.gz JGZKMQTXQWVLAF-UHFFFAOYSA-N 0 0 345.196 4.459 50 0 EIAARN Cc1cc(SCc2nc(N)c3ccccc3n2)nc2ccccc12 ZINC000018331941 564024160 /nfs/dbraw/zinc/02/41/60/564024160.db2.gz MNECXJFASROHKO-UHFFFAOYSA-N 0 0 332.432 4.361 50 0 EIAARN O=C(COc1ccc2cc(Br)ccc2c1)c1ccc[nH]1 ZINC000005744040 564024939 /nfs/dbraw/zinc/02/49/39/564024939.db2.gz VBJAFTAEGNWUHK-UHFFFAOYSA-N 0 0 330.181 4.192 50 0 EIAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1F ZINC000046899928 564025487 /nfs/dbraw/zinc/02/54/87/564025487.db2.gz IBPBCIDYQNXXBQ-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1 ZINC000047157849 564025795 /nfs/dbraw/zinc/02/57/95/564025795.db2.gz SYEZIXCLXGWVAT-UHFFFAOYSA-N 0 0 335.407 4.475 50 0 EIAARN Cc1occc1C(=O)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000047371953 564026188 /nfs/dbraw/zinc/02/61/88/564026188.db2.gz VGHDZHHKMMVEHF-UHFFFAOYSA-N 0 0 344.374 4.292 50 0 EIAARN O=C(C1CCC(O)CC1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000194393507 564026195 /nfs/dbraw/zinc/02/61/95/564026195.db2.gz PKRWSAJKMUHGOB-JRSKVSSZSA-N 0 0 327.468 4.022 50 0 EIAARN Cc1csc(N(C(=O)/C=C/c2nccs2)c2ccccc2)n1 ZINC000047411286 564026255 /nfs/dbraw/zinc/02/62/55/564026255.db2.gz RUQSWSIYEYDYHB-BQYQJAHWSA-N 0 0 327.434 4.286 50 0 EIAARN COc1ccc2c(c1)s/c(=N/C(=O)c1cccc3ccccc31)n2C ZINC000012139809 564026366 /nfs/dbraw/zinc/02/63/66/564026366.db2.gz IJEIKYUBDSRAKB-QZQOTICOSA-N 0 0 348.427 4.143 50 0 EIAARN COC(=O)Nc1ccc(NC(=O)N2CCc3sccc3[C@H]2C)cc1 ZINC000047584177 564026512 /nfs/dbraw/zinc/02/65/12/564026512.db2.gz MISFAEIEUXGVLP-LLVKDONJSA-N 0 0 345.424 4.078 50 0 EIAARN CCc1nc(NC(=O)Cc2csc(-c3ccccc3)n2)sc1C ZINC000044701581 564027108 /nfs/dbraw/zinc/02/71/08/564027108.db2.gz JKUDSINNZHCGIH-UHFFFAOYSA-N 0 0 343.477 4.319 50 0 EIAARN CCc1ccc(NC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000044845437 564027480 /nfs/dbraw/zinc/02/74/80/564027480.db2.gz WDLHYWLCLULMFI-ZDUSSCGKSA-N 0 0 328.412 4.149 50 0 EIAARN Cc1nc(NCc2ccco2)sc1C(=O)NCCC1=CCCCC1 ZINC000044921074 564027747 /nfs/dbraw/zinc/02/77/47/564027747.db2.gz MBFAAPOAOUKOQN-UHFFFAOYSA-N 0 0 345.468 4.277 50 0 EIAARN C[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000108112424 564027790 /nfs/dbraw/zinc/02/77/90/564027790.db2.gz DUAPMYXHDMWETO-VNJOCVIMSA-N 0 0 339.460 4.457 50 0 EIAARN C[C@@H](NC(=O)N1CCC[C@H]1c1ccncc1)c1ccc(Cl)s1 ZINC000044970072 564027965 /nfs/dbraw/zinc/02/79/65/564027965.db2.gz DFQGXXDSNHSDMG-YPMHNXCESA-N 0 0 335.860 4.404 50 0 EIAARN O=S(=O)(Cc1csc(-c2ccccc2)n1)Cc1ccc(F)cc1 ZINC000045340975 564028370 /nfs/dbraw/zinc/02/83/70/564028370.db2.gz CVOUGHANEOGDMC-UHFFFAOYSA-N 0 0 347.436 4.064 50 0 EIAARN C[C@H](c1ccccc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000045418313 564028459 /nfs/dbraw/zinc/02/84/59/564028459.db2.gz RXILGNXEBOJPBQ-GFCCVEGCSA-N 0 0 340.810 4.015 50 0 EIAARN Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C)o1 ZINC000005753573 564028525 /nfs/dbraw/zinc/02/85/25/564028525.db2.gz QQTRQHNUZMDVQA-SRCQZFHVSA-N 0 0 336.428 4.057 50 0 EIAARN O=C(N[C@@H]1CCOc2ccccc21)N[C@@H]1CCSc2ccccc21 ZINC000045552109 564028540 /nfs/dbraw/zinc/02/85/40/564028540.db2.gz USMNKRPVFNTAEV-HZPDHXFCSA-N 0 0 340.448 4.047 50 0 EIAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000045621937 564028561 /nfs/dbraw/zinc/02/85/61/564028561.db2.gz OMFCRVINTPLCHF-UHFFFAOYSA-N 0 0 347.374 4.289 50 0 EIAARN CC(C)(C)c1nc(CN2CCC[C@H]2c2nc3ccccc3s2)no1 ZINC000045810718 564028692 /nfs/dbraw/zinc/02/86/92/564028692.db2.gz FZAQRWZOTGSNKY-ZDUSSCGKSA-N 0 0 342.468 4.314 50 0 EIAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCCc1ccccc1 ZINC000045901236 564028798 /nfs/dbraw/zinc/02/87/98/564028798.db2.gz JIGZVBGCTJZXSQ-UHFFFAOYSA-N 0 0 349.434 4.078 50 0 EIAARN Cc1cccc(C2=NC(C)(C)N(C(=O)c3cccc(F)c3)C2=S)c1 ZINC000045933198 564028933 /nfs/dbraw/zinc/02/89/33/564028933.db2.gz UWWYVKBECSMHTB-UHFFFAOYSA-N 0 0 340.423 4.143 50 0 EIAARN CCCn1c(=O)oc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000046010175 564029128 /nfs/dbraw/zinc/02/91/28/564029128.db2.gz DBJNWFAZTUYEKX-UHFFFAOYSA-N 0 0 345.786 4.302 50 0 EIAARN Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000046018195 564029252 /nfs/dbraw/zinc/02/92/52/564029252.db2.gz NMYSHUPXWOPZFI-QGZVFWFLSA-N 0 0 335.856 4.174 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000046018305 564029258 /nfs/dbraw/zinc/02/92/58/564029258.db2.gz LMVCJSPHTLTTOU-QGZVFWFLSA-N 0 0 349.883 4.483 50 0 EIAARN COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc1 ZINC000046018462 564029275 /nfs/dbraw/zinc/02/92/75/564029275.db2.gz BJQVQMSYAJGYND-GOSISDBHSA-N 0 0 338.407 4.151 50 0 EIAARN CN(Cc1ccco1)C(=O)c1cnc(N2CCCCC2)c2ccccc12 ZINC000046048042 564029353 /nfs/dbraw/zinc/02/93/53/564029353.db2.gz JCIFXCNYXONQBY-UHFFFAOYSA-N 0 0 349.434 4.090 50 0 EIAARN Cc1cc2c(cc1C(=O)Nc1ccc(F)c(Cl)c1)OCCCO2 ZINC000046077875 564029489 /nfs/dbraw/zinc/02/94/89/564029489.db2.gz UUUKRBYWHSYJCZ-UHFFFAOYSA-N 0 0 335.762 4.201 50 0 EIAARN Cc1ccc(NC2(c3nnnn3-c3cccc(C)c3)CCCC2)cc1 ZINC000046078339 564029519 /nfs/dbraw/zinc/02/95/19/564029519.db2.gz PKXHMZXDKATOBM-UHFFFAOYSA-N 0 0 333.439 4.161 50 0 EIAARN CN(Cc1cc(Br)cs1)C(=O)c1ccc(F)cc1F ZINC000048069583 564029925 /nfs/dbraw/zinc/02/99/25/564029925.db2.gz ZRUPMEFCYJDGBL-UHFFFAOYSA-N 0 0 346.196 4.061 50 0 EIAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)c1occc1-c1ccccc1 ZINC000048265476 564030391 /nfs/dbraw/zinc/03/03/91/564030391.db2.gz SPAUBSLOPUZWQW-YJBOKZPZSA-N 0 0 327.424 4.272 50 0 EIAARN CCN(C(C)=O)c1nc(CN2CCC[C@H]2c2ccccc2C)cs1 ZINC000048251746 564030451 /nfs/dbraw/zinc/03/04/51/564030451.db2.gz SOCSJKHAULOLBS-SFHVURJKSA-N 0 0 343.496 4.161 50 0 EIAARN O=C(c1ccc(Cl)cc1F)N1CCC(Nc2ccccc2)CC1 ZINC000048292337 564030607 /nfs/dbraw/zinc/03/06/07/564030607.db2.gz IBJBPYXMPORLLC-UHFFFAOYSA-N 0 0 332.806 4.196 50 0 EIAARN CC(C)COc1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000048286508 564030663 /nfs/dbraw/zinc/03/06/63/564030663.db2.gz MJNYEYJWTVPVNS-UHFFFAOYSA-N 0 0 335.407 4.159 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)c1cc2cc(C)ccc2nc1C ZINC000048299934 564030800 /nfs/dbraw/zinc/03/08/00/564030800.db2.gz PTAYWJJKBCTAMU-UHFFFAOYSA-N 0 0 346.430 4.453 50 0 EIAARN CCCc1noc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000048302946 564030889 /nfs/dbraw/zinc/03/08/89/564030889.db2.gz NQTQZFCEECYPLY-LJQANCHMSA-N 0 0 333.435 4.170 50 0 EIAARN O=c1[nH]c(C(Cl)=Cc2cccc(O)c2)nc2ccc(Cl)cc12 ZINC000048333963 564031141 /nfs/dbraw/zinc/03/11/41/564031141.db2.gz VOZFDVMHXTTYBL-NTUHNPAUSA-N 0 0 333.174 4.431 50 0 EIAARN COc1cc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)ccc1OCc1ccccc1 ZINC000048354817 564031356 /nfs/dbraw/zinc/03/13/56/564031356.db2.gz XDHQWOVMKLHIBX-RLFYNMQTSA-N 0 0 339.435 4.107 50 0 EIAARN c1coc(-c2cc(CN3CCn4cccc4[C@@H]3c3ccccc3)no2)c1 ZINC000048364376 564031575 /nfs/dbraw/zinc/03/15/75/564031575.db2.gz OHGQVDJTJHNUCT-NRFANRHFSA-N 0 0 345.402 4.341 50 0 EIAARN c1coc(-c2cc(CN3CCn4cccc4[C@H]3c3ccccc3)no2)c1 ZINC000048364373 564031582 /nfs/dbraw/zinc/03/15/82/564031582.db2.gz OHGQVDJTJHNUCT-OAQYLSRUSA-N 0 0 345.402 4.341 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(CNC(=O)CCC(C)C)c2)cc1 ZINC000048367978 564031607 /nfs/dbraw/zinc/03/16/07/564031607.db2.gz QGYMEKOUYPQKKI-UHFFFAOYSA-N 0 0 338.451 4.300 50 0 EIAARN O=C(CSC1CCCC1)N1CCC(COCc2ccccc2)CC1 ZINC000049028628 564032425 /nfs/dbraw/zinc/03/24/25/564032425.db2.gz KWMDUXSWXFEUIB-UHFFFAOYSA-N 0 0 347.524 4.118 50 0 EIAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2-c2ccco2)cc1 ZINC000000351483 564032509 /nfs/dbraw/zinc/03/25/09/564032509.db2.gz LBRFXMSIYZNWDJ-UHFFFAOYSA-N 0 0 332.359 4.044 50 0 EIAARN COc1cc(C)c(NC(=O)CCOc2ccc(C)c(C)c2)cc1OC ZINC000024748359 564033584 /nfs/dbraw/zinc/03/35/84/564033584.db2.gz PZBVAVFXRCEMIR-UHFFFAOYSA-N 0 0 343.423 4.037 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)Cc1noc2ccccc21 ZINC000006834709 564033592 /nfs/dbraw/zinc/03/35/92/564033592.db2.gz NYTXQDUEVSKEIQ-UHFFFAOYSA-N 0 0 345.196 4.080 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc3c(c2)CCC3)c1C ZINC000006879340 564033776 /nfs/dbraw/zinc/03/37/76/564033776.db2.gz WIAZBUUARULNRO-UHFFFAOYSA-N 0 0 327.449 4.298 50 0 EIAARN CSc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000000756725 564034150 /nfs/dbraw/zinc/03/41/50/564034150.db2.gz CYEYOWTUWPIHFA-UHFFFAOYSA-N 0 0 333.420 4.281 50 0 EIAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000000807585 564034617 /nfs/dbraw/zinc/03/46/17/564034617.db2.gz OBQMVDSAIVVMRW-OAHLLOKOSA-N 0 0 335.403 4.224 50 0 EIAARN O=C(CCc1ccccc1F)NCc1ccnc(-c2ccsc2)c1 ZINC000390826492 564034686 /nfs/dbraw/zinc/03/46/86/564034686.db2.gz MLQIBEKXTMYWDY-UHFFFAOYSA-N 0 0 340.423 4.198 50 0 EIAARN COc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1O ZINC000000818077 564034997 /nfs/dbraw/zinc/03/49/97/564034997.db2.gz FOODDPCBOMIZIC-FQEVSTJZSA-N 0 0 335.407 4.162 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)NCc1nc(C2CCCCC2)cs1 ZINC000390831962 564035136 /nfs/dbraw/zinc/03/51/36/564035136.db2.gz WGZKTWHEYIKWMH-AWEZNQCLSA-N 0 0 344.480 4.275 50 0 EIAARN COc1ccc(OC)c([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1 ZINC000000818092 564035278 /nfs/dbraw/zinc/03/52/78/564035278.db2.gz WDPAWIROLZAUGQ-FQEVSTJZSA-N 0 0 335.407 4.157 50 0 EIAARN Cc1ccc2ncccc2c1CNC(=O)c1cc(F)c(F)cc1Cl ZINC000219857525 564035532 /nfs/dbraw/zinc/03/55/32/564035532.db2.gz XWVYJHQWVFYSND-UHFFFAOYSA-N 0 0 346.764 4.405 50 0 EIAARN O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N1CCCCC1 ZINC000024958483 564035683 /nfs/dbraw/zinc/03/56/83/564035683.db2.gz HCVPKWSKSNQLJV-UHFFFAOYSA-N 0 0 341.430 4.042 50 0 EIAARN c1ccc(-c2nnc3sc(C4C5CC6CC(C5)CC4C6)nn32)cc1 ZINC000005775901 564035748 /nfs/dbraw/zinc/03/57/48/564035748.db2.gz JBORQSOOGPDBFI-UHFFFAOYSA-N 0 0 336.464 4.393 50 0 EIAARN O=c1[nH]c2ccc(Nc3cc(C(F)(F)F)nc4ccccc43)cc2[nH]1 ZINC000032902980 564036265 /nfs/dbraw/zinc/03/62/65/564036265.db2.gz TXCCOTLZAWXFKM-UHFFFAOYSA-N 0 0 344.296 4.167 50 0 EIAARN CCCCc1ccc(NC(=O)[C@@H](C)n2c3ccccc3oc2=O)cc1 ZINC000032885578 564036275 /nfs/dbraw/zinc/03/62/75/564036275.db2.gz ZSHLMMUOXUOLHV-CQSZACIVSA-N 0 0 338.407 4.137 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)c1sc(Nc2ccccc2)nc1N ZINC000032947344 564036287 /nfs/dbraw/zinc/03/62/87/564036287.db2.gz KQDPLZCLNGAYPC-UHFFFAOYSA-N 0 0 348.431 4.490 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2Cl)sc1-c1ccnc(N)n1 ZINC000221597225 564036318 /nfs/dbraw/zinc/03/63/18/564036318.db2.gz PGZKUNZIYWDNIL-UHFFFAOYSA-N 0 0 337.235 4.465 50 0 EIAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)NC2CCCC2)cc1 ZINC000032952985 564036372 /nfs/dbraw/zinc/03/63/72/564036372.db2.gz QOKSRRKJHYBQKP-UHFFFAOYSA-N 0 0 331.419 4.278 50 0 EIAARN Cn1ccc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)ccc21 ZINC000223238624 564039370 /nfs/dbraw/zinc/03/93/70/564039370.db2.gz XZIOWPMMBDZGLJ-LJQANCHMSA-N 0 0 344.418 4.032 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(-c2cccc(F)c2)cc1)c1nc(C)no1 ZINC000223415931 564039903 /nfs/dbraw/zinc/03/99/03/564039903.db2.gz FWYKRJBBOSLJBG-QGZVFWFLSA-N 0 0 339.370 4.065 50 0 EIAARN O=C(OCc1ccccc1)c1cccc(C(=O)OCc2ccccc2)c1 ZINC000000453763 564043606 /nfs/dbraw/zinc/04/36/06/564043606.db2.gz OIVQLSUKOZNNCT-UHFFFAOYSA-N 0 0 346.382 4.401 50 0 EIAARN CCc1c(NCc2nc(-c3ccccc3)no2)cnn1C(CC)CC ZINC000225389640 564046354 /nfs/dbraw/zinc/04/63/54/564046354.db2.gz ZIGIFXFGFIIBOR-UHFFFAOYSA-N 0 0 339.443 4.469 50 0 EIAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)COc1cccc(Cl)c1 ZINC000225416621 564046559 /nfs/dbraw/zinc/04/65/59/564046559.db2.gz KNBMBXZMHJKIMR-UHFFFAOYSA-N 0 0 341.798 4.056 50 0 EIAARN CC(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000225475735 564047121 /nfs/dbraw/zinc/04/71/21/564047121.db2.gz VQFHJWPPRJYXHH-FEUHOPSXSA-N 0 0 348.245 4.371 50 0 EIAARN Cc1noc(C)c1CNCc1ccc(OC(C)C)cc1C(F)(F)F ZINC000225534811 564047630 /nfs/dbraw/zinc/04/76/30/564047630.db2.gz QNLNCFIWWCQMRL-UHFFFAOYSA-N 0 0 342.361 4.387 50 0 EIAARN CC(C)(C)c1noc(Cn2c3ccccc3nc2SC(F)F)n1 ZINC000225556263 564047789 /nfs/dbraw/zinc/04/77/89/564047789.db2.gz WLXWYICYTIEDHL-UHFFFAOYSA-N 0 0 338.383 4.080 50 0 EIAARN O=C(Nc1nccs1)c1ccc(NCc2ccccc2F)cc1 ZINC000225642071 564048891 /nfs/dbraw/zinc/04/88/91/564048891.db2.gz XDKOVYGFUCYEPC-UHFFFAOYSA-N 0 0 327.384 4.147 50 0 EIAARN CCc1cccc(C)c1NC(=O)CCC(=O)c1ccc(OC)c(F)c1 ZINC000081707787 564050994 /nfs/dbraw/zinc/05/09/94/564050994.db2.gz JVYKCCNNDRNZBQ-UHFFFAOYSA-N 0 0 343.398 4.307 50 0 EIAARN CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@H]3CCCC[C@H]32)n1 ZINC000239654176 564051640 /nfs/dbraw/zinc/05/16/40/564051640.db2.gz BMUYXTMMALAHED-UKRRQHHQSA-N 0 0 335.879 4.438 50 0 EIAARN CC[C@@H](NC(=O)c1cc[nH]c1C1CC1)c1nc(-c2ccccc2)c[nH]1 ZINC000239882334 564051725 /nfs/dbraw/zinc/05/17/25/564051725.db2.gz DBFDKEHIHISMKW-MRXNPFEDSA-N 0 0 334.423 4.163 50 0 EIAARN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1nnc(-c2cccc(F)c2)s1 ZINC000241371277 564051988 /nfs/dbraw/zinc/05/19/88/564051988.db2.gz MMBXREIUGNSRPO-NWDGAFQWSA-N 0 0 343.427 4.462 50 0 EIAARN CO[C@@H](CNc1ncnc2c3ccccc3oc21)c1ccc(F)cc1 ZINC000241644595 564052065 /nfs/dbraw/zinc/05/20/65/564052065.db2.gz PSAYYNBUCUQPHD-INIZCTEOSA-N 0 0 337.354 4.315 50 0 EIAARN CC(C)N(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1CCOC1 ZINC000241720926 564052097 /nfs/dbraw/zinc/05/20/97/564052097.db2.gz QTKCZXIJCQJTND-ZDUSSCGKSA-N 0 0 333.815 4.240 50 0 EIAARN O=C(CSCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000025061823 564052668 /nfs/dbraw/zinc/05/26/68/564052668.db2.gz PVAFROUYIYYMOX-UHFFFAOYSA-N 0 0 329.509 4.047 50 0 EIAARN COCCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccn1 ZINC000182286698 564053204 /nfs/dbraw/zinc/05/32/04/564053204.db2.gz VMRURPDYHDQBAA-UHFFFAOYSA-N 0 0 348.402 4.026 50 0 EIAARN CC(=O)c1ccccc1NC(=O)CNc1cc(Cl)cc(Cl)c1 ZINC000015086911 564053622 /nfs/dbraw/zinc/05/36/22/564053622.db2.gz HONUSIUOKSSCOY-UHFFFAOYSA-N 0 0 337.206 4.247 50 0 EIAARN CC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccco3)N12 ZINC000000978335 564053843 /nfs/dbraw/zinc/05/38/43/564053843.db2.gz SRHLQQCTQIBQOC-UHFFFAOYSA-N 0 0 349.234 4.035 50 0 EIAARN CCn1c2ccccc2nc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000000998352 564053900 /nfs/dbraw/zinc/05/39/00/564053900.db2.gz VULLUNKUJFBGTK-LBPRGKRZSA-N 0 0 343.814 4.116 50 0 EIAARN CCOc1cc(Cl)c([C@@H](C)NC(=O)c2cccnc2)cc1OCC ZINC000000995555 564053905 /nfs/dbraw/zinc/05/39/05/564053905.db2.gz RIKNWPIRSCXWQZ-GFCCVEGCSA-N 0 0 348.830 4.023 50 0 EIAARN Cc1nc(C)c(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)s1 ZINC000025459493 564054445 /nfs/dbraw/zinc/05/44/45/564054445.db2.gz DZFFHNCGFCPGNZ-SSDOTTSWSA-N 0 0 336.269 4.096 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccccc1 ZINC000182572632 564056379 /nfs/dbraw/zinc/05/63/79/564056379.db2.gz AZQLDDNVMREYFE-CYBMUJFWSA-N 0 0 332.407 4.091 50 0 EIAARN CSc1nnc(SCc2cc(Cl)cc3c2OCOC3)s1 ZINC000005872300 564056757 /nfs/dbraw/zinc/05/67/57/564056757.db2.gz RMEUESZKBRZXNH-UHFFFAOYSA-N 0 0 346.886 4.072 50 0 EIAARN CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 ZINC000005890193 564056807 /nfs/dbraw/zinc/05/68/07/564056807.db2.gz HDLHDCKKYHHJCE-UHFFFAOYSA-N 0 0 325.437 4.185 50 0 EIAARN O=C1OCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000005901554 564056901 /nfs/dbraw/zinc/05/69/01/564056901.db2.gz SUBQMFWDAFLXIQ-HNNXBMFYSA-N 0 0 336.416 4.151 50 0 EIAARN CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000005910123 564056942 /nfs/dbraw/zinc/05/69/42/564056942.db2.gz VUHHPCNWKDEWOX-RCBQFDQVSA-N 0 0 335.831 4.203 50 0 EIAARN CCOc1ccc(CN(C)C(=O)c2cc3ccccc3o2)cc1OC ZINC000005936216 564057099 /nfs/dbraw/zinc/05/70/99/564057099.db2.gz WSDUSUHBYJOHCX-UHFFFAOYSA-N 0 0 339.391 4.112 50 0 EIAARN Fc1cc2cccnc2c(CSc2nnc(-c3ccco3)o2)c1 ZINC000031612712 564057827 /nfs/dbraw/zinc/05/78/27/564057827.db2.gz JFBYJPUIXJZMCQ-UHFFFAOYSA-N 0 0 327.340 4.309 50 0 EIAARN COc1ccc(C(C)=O)c(OCc2cc(F)cc3cccnc32)c1 ZINC000031606736 564057829 /nfs/dbraw/zinc/05/78/29/564057829.db2.gz FJBXXCHESTZAOA-UHFFFAOYSA-N 0 0 325.339 4.164 50 0 EIAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1Cl ZINC000001993579 564058119 /nfs/dbraw/zinc/05/81/19/564058119.db2.gz PIGKHCRWENRFCU-UHFFFAOYSA-N 0 0 345.826 4.260 50 0 EIAARN O=C1N[C@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CCC3 ZINC000003240154 564058592 /nfs/dbraw/zinc/05/85/92/564058592.db2.gz CEYOGXWGSYWISG-ZDUSSCGKSA-N 0 0 339.247 4.398 50 0 EIAARN CCn1cnnc1SCc1c(-c2ccccc2)nc2ccc(C)cn21 ZINC000012547242 564058937 /nfs/dbraw/zinc/05/89/37/564058937.db2.gz WOBVWGQIKRZNKP-UHFFFAOYSA-N 0 0 349.463 4.213 50 0 EIAARN COc1ccc(CC(=O)Nc2cc(Cl)cc3cccnc32)cc1 ZINC000012552741 564059215 /nfs/dbraw/zinc/05/92/15/564059215.db2.gz IRRBGLLEDZMMMM-UHFFFAOYSA-N 0 0 326.783 4.078 50 0 EIAARN CN(C)c1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012555173 564059297 /nfs/dbraw/zinc/05/92/97/564059297.db2.gz DUHHXRCRBLMMDV-GOSISDBHSA-N 0 0 328.843 4.287 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000012559146 564059399 /nfs/dbraw/zinc/05/93/99/564059399.db2.gz ZGHKSELRDRFLRN-KRWDZBQOSA-N 0 0 337.467 4.424 50 0 EIAARN Cc1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2n1 ZINC000003360440 564059431 /nfs/dbraw/zinc/05/94/31/564059431.db2.gz UDTOJMQBYLNUFM-UHFFFAOYSA-N 0 0 344.370 4.064 50 0 EIAARN Cc1nc(-c2ccccc2)sc1CC(=O)Nc1ccc(Cl)nc1 ZINC000044225954 564059799 /nfs/dbraw/zinc/05/97/99/564059799.db2.gz YTRZIPPGMCOWJG-UHFFFAOYSA-N 0 0 343.839 4.348 50 0 EIAARN COc1cc2ccccc2cc1C(=O)NCCCN(C)c1ccccc1 ZINC000012586920 564060171 /nfs/dbraw/zinc/06/01/71/564060171.db2.gz QFYVLQAAQURFED-UHFFFAOYSA-N 0 0 348.446 4.105 50 0 EIAARN COC(=O)c1c(C)c2ccccc2nc1CNc1ccc(C(C)=O)cc1 ZINC000012596131 564060262 /nfs/dbraw/zinc/06/02/62/564060262.db2.gz XXZQMNNKSUTENB-UHFFFAOYSA-N 0 0 348.402 4.145 50 0 EIAARN CSc1ccccc1NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000015306112 564060629 /nfs/dbraw/zinc/06/06/29/564060629.db2.gz JOLDRXHGGKQNMG-UHFFFAOYSA-N 0 0 343.448 4.140 50 0 EIAARN Cc1csc(NC(=O)c2ccc(OCc3cccs3)cc2)n1 ZINC000031873839 564061258 /nfs/dbraw/zinc/06/12/58/564061258.db2.gz HICPDFDKFLFJEV-UHFFFAOYSA-N 0 0 330.434 4.344 50 0 EIAARN CC(C)c1ccc(-c2ccc(C(=O)N3CC=C[C@@H]3C(C)C)cc2)nn1 ZINC000534642977 564061303 /nfs/dbraw/zinc/06/13/03/564061303.db2.gz LTVAQTYNHHEMEN-HXUWFJFHSA-N 0 0 335.451 4.304 50 0 EIAARN C[C@@H](c1ccc(-c2cc(CC(=O)[O-])ccc2O)cc1)[NH+]1CCCCC1 ZINC000534631813 564061340 /nfs/dbraw/zinc/06/13/40/564061340.db2.gz USNUEDDHVRICFF-HNNXBMFYSA-N 0 0 339.435 4.233 50 0 EIAARN C[C@H](c1ccc(-c2cc(C(F)(F)F)ccn2)cc1)N1CCOCC1 ZINC000534655019 564061438 /nfs/dbraw/zinc/06/14/38/564061438.db2.gz UKELZJQIOIAYOA-CYBMUJFWSA-N 0 0 336.357 4.161 50 0 EIAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2ccccc2c1 ZINC000005439848 564062421 /nfs/dbraw/zinc/06/24/21/564062421.db2.gz YLVWYQDAUSRQIL-UHFFFAOYSA-N 0 0 330.387 4.219 50 0 EIAARN C/C=C/c1ccc(OCC(=O)NCc2ccccc2Cl)c(OC)c1 ZINC000005440367 564062441 /nfs/dbraw/zinc/06/24/41/564062441.db2.gz SYEUDLNHPRMUGD-ZZXKWVIFSA-N 0 0 345.826 4.077 50 0 EIAARN COc1ccc2c(ccn2CCC(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000012664587 564062518 /nfs/dbraw/zinc/06/25/18/564062518.db2.gz RAIYADSDKXMLNV-UHFFFAOYSA-N 0 0 333.391 4.160 50 0 biogenic EIAARN CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cccc(C)c1C ZINC000001250998 564062708 /nfs/dbraw/zinc/06/27/08/564062708.db2.gz XHLBJLLWXREDPO-UHFFFAOYSA-N 0 0 334.419 4.088 50 0 EIAARN Cc1cccnc1NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000032100580 564063253 /nfs/dbraw/zinc/06/32/53/564063253.db2.gz CQQUKQJCDFXPJU-UHFFFAOYSA-N 0 0 340.386 4.253 50 0 EIAARN CCC(CC)C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000001359688 564063355 /nfs/dbraw/zinc/06/33/55/564063355.db2.gz DJROHJHWSBMWJV-HNNXBMFYSA-N 0 0 345.418 4.018 50 0 EIAARN COc1ccc(OC)c(CN(C(=O)c2cc(C)c(C)s2)C2CC2)c1 ZINC000025809517 564063546 /nfs/dbraw/zinc/06/35/46/564063546.db2.gz BNIUFKDHNNFHIH-UHFFFAOYSA-N 0 0 345.464 4.187 50 0 EIAARN CN(C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1CCCCCC1 ZINC000083855631 564063892 /nfs/dbraw/zinc/06/38/92/564063892.db2.gz VRYUQGGFWFTTOS-RTBURBONSA-N 0 0 348.462 4.410 50 0 EIAARN C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccnc2ncnn21 ZINC000001383632 564064052 /nfs/dbraw/zinc/06/40/52/564064052.db2.gz BYCLAFHVJAMNAZ-ZDUSSCGKSA-N 0 0 334.354 4.070 50 0 EIAARN O=C(c1ccc(Cl)cc1Cl)n1oc(=O)cc1-c1ccccc1 ZINC000001386464 564064253 /nfs/dbraw/zinc/06/42/53/564064253.db2.gz ZXLRBOFJNIVBSG-UHFFFAOYSA-N 0 0 334.158 4.104 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2)c1 ZINC000012733717 564064436 /nfs/dbraw/zinc/06/44/36/564064436.db2.gz HKSFTUAVMQOWAY-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN COc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2Cl)cc1 ZINC000001392299 564064556 /nfs/dbraw/zinc/06/45/56/564064556.db2.gz BMFURSFOVRGNAD-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN COc1ccc(-c2c(C)nc3c(-c4ccsc4)cnn3c2N)cc1 ZINC000001394950 564064691 /nfs/dbraw/zinc/06/46/91/564064691.db2.gz LSIPSBSVYAELHE-UHFFFAOYSA-N 0 0 336.420 4.024 50 0 EIAARN FC(F)(F)c1cnc(-c2cnc(-c3ccccn3)nc2)c(Cl)c1 ZINC000001397507 564064761 /nfs/dbraw/zinc/06/47/61/564064761.db2.gz DZKBWNQGOOFMMY-UHFFFAOYSA-N 0 0 336.704 4.273 50 0 EIAARN CCOC(=O)c1cnc(SC)nc1Sc1ccccc1Cl ZINC000001398550 564064797 /nfs/dbraw/zinc/06/47/97/564064797.db2.gz ZHJOVGGRJFTZQE-UHFFFAOYSA-N 0 0 340.857 4.180 50 0 EIAARN COc1ccc(-c2csc(-n3nc(C)cc3C(F)(F)F)n2)cc1 ZINC000001407181 564065204 /nfs/dbraw/zinc/06/52/04/564065204.db2.gz MCJPYHDCWDISCH-UHFFFAOYSA-N 0 0 339.342 4.332 50 0 EIAARN Brc1cccc2c(I)cccc12 ZINC000001704045 564065563 /nfs/dbraw/zinc/06/55/63/564065563.db2.gz XUPYWKAKDZRRGW-UHFFFAOYSA-N 0 0 332.966 4.207 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000084012033 564065782 /nfs/dbraw/zinc/06/57/82/564065782.db2.gz OYGJRCNQQSRESX-CYBMUJFWSA-N 0 0 345.446 4.099 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000084008377 564065793 /nfs/dbraw/zinc/06/57/93/564065793.db2.gz CRLJDECFWLULAV-UHFFFAOYSA-N 0 0 340.427 4.491 50 0 EIAARN Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1cccc(F)c1 ZINC000084013667 564065796 /nfs/dbraw/zinc/06/57/96/564065796.db2.gz YKEVOIYJPQPOEA-UHFFFAOYSA-N 0 0 343.333 4.051 50 0 EIAARN Cc1cc(=O)oc2cc(Oc3nnc(-c4ccccc4)s3)ccc12 ZINC000001418513 564066075 /nfs/dbraw/zinc/06/60/75/564066075.db2.gz FOOAKTFBDWPFBZ-UHFFFAOYSA-N 0 0 336.372 4.412 50 0 EIAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)n[nH]1 ZINC000084072959 564066117 /nfs/dbraw/zinc/06/61/17/564066117.db2.gz SJTPASNURNTONY-UHFFFAOYSA-N 0 0 347.846 4.437 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)cc1C ZINC000012756214 564067234 /nfs/dbraw/zinc/06/72/34/564067234.db2.gz GPKDYWJVQIPDGQ-HOTGVXAUSA-N 0 0 342.508 4.161 50 0 EIAARN Cc1csc(NC(=O)c2ccccc2NC(=O)c2cccs2)n1 ZINC000012758398 564067248 /nfs/dbraw/zinc/06/72/48/564067248.db2.gz YHMKOCIQBCVQOH-UHFFFAOYSA-N 0 0 343.433 4.018 50 0 EIAARN CCOCCC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC000084189423 564067326 /nfs/dbraw/zinc/06/73/26/564067326.db2.gz BDJMRIDQJZQLLX-UHFFFAOYSA-N 0 0 346.858 4.167 50 0 EIAARN Cc1cccc(C[S@](=O)Cc2csc(Cc3ccccc3)n2)c1 ZINC000084210730 564067412 /nfs/dbraw/zinc/06/74/12/564067412.db2.gz JJNRMMJZKXPIQB-HSZRJFAPSA-N 0 0 341.501 4.491 50 0 EIAARN Cc1ccsc1C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000084251303 564067549 /nfs/dbraw/zinc/06/75/49/564067549.db2.gz OVOKBOPRGRQTEZ-UHFFFAOYSA-N 0 0 348.855 4.198 50 0 EIAARN Cc1cnc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cn1 ZINC000084258321 564067563 /nfs/dbraw/zinc/06/75/63/564067563.db2.gz OEMDDGLGYHAGIJ-KBXCAEBGSA-N 0 0 339.439 4.133 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccccc2-n2ccnc2C)C1(C)C ZINC000084291121 564067685 /nfs/dbraw/zinc/06/76/85/564067685.db2.gz ONHDZISBUHMLLJ-IEBWSBKVSA-N 0 0 337.467 4.035 50 0 EIAARN Cc1nc2c(cc(OCC(=O)N(C)CC(C)C)c3ccsc32)s1 ZINC000084287016 564067709 /nfs/dbraw/zinc/06/77/09/564067709.db2.gz JXLOPJUEOMSNMS-UHFFFAOYSA-N 0 0 348.493 4.313 50 0 EIAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000012761482 564067757 /nfs/dbraw/zinc/06/77/57/564067757.db2.gz BANLOBIRZJCSRT-LJQANCHMSA-N 0 0 342.826 4.006 50 0 EIAARN Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)c(F)c1 ZINC000012766372 564068059 /nfs/dbraw/zinc/06/80/59/564068059.db2.gz RPHNLOVRRKGKED-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN Clc1ccc(-c2cc3ncnc(NC[C@@H]4CCOC4)c3s2)cc1 ZINC000084419439 564068108 /nfs/dbraw/zinc/06/81/08/564068108.db2.gz KICXYXVHJICWTR-NSHDSACASA-N 0 0 345.855 4.460 50 0 EIAARN c1csc(-c2nnc(SCc3ccn(-c4ccccc4)n3)o2)c1 ZINC000084576726 564068740 /nfs/dbraw/zinc/06/87/40/564068740.db2.gz ZTJNNNUTMNBNBJ-UHFFFAOYSA-N 0 0 340.433 4.276 50 0 EIAARN O=C(NCCc1ccco1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000012770427 564068850 /nfs/dbraw/zinc/06/88/50/564068850.db2.gz FPYYXXBFHUZXDS-UHFFFAOYSA-N 0 0 332.359 4.060 50 0 EIAARN CC(C)N(C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)C1CC1 ZINC000084597218 564068921 /nfs/dbraw/zinc/06/89/21/564068921.db2.gz DHSIJTFTHBTJJI-HXUWFJFHSA-N 0 0 349.430 4.154 50 0 EIAARN Cc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c(F)c1 ZINC000012771492 564068951 /nfs/dbraw/zinc/06/89/51/564068951.db2.gz PORIOVWODMDCLV-UHFFFAOYSA-N 0 0 349.789 4.130 50 0 EIAARN c1ccc2nc(Nc3cccc(COC[C@@H]4CCCCO4)c3)cnc2c1 ZINC000084605648 564069032 /nfs/dbraw/zinc/06/90/32/564069032.db2.gz ZYVPWLSHMVUTCK-SFHVURJKSA-N 0 0 349.434 4.459 50 0 EIAARN C[C@](O)(c1ccc(OCCCOc2ccccc2)cc1)C(F)(F)F ZINC000084651592 564069363 /nfs/dbraw/zinc/06/93/63/564069363.db2.gz DTGSFXNZRZTBRN-KRWDZBQOSA-N 0 0 340.341 4.304 50 0 EIAARN COc1cc(C(C)=O)ccc1OCc1cccc(Br)c1 ZINC000019430616 564069654 /nfs/dbraw/zinc/06/96/54/564069654.db2.gz KJQRHLZMLUBBLP-UHFFFAOYSA-N 0 0 335.197 4.239 50 0 EIAARN CCc1ccc(N(CC)C(=O)c2noc3c2COc2ccccc2-3)cc1 ZINC000015673855 564070503 /nfs/dbraw/zinc/07/05/03/564070503.db2.gz WBSDILUDVMJSMH-UHFFFAOYSA-N 0 0 348.402 4.463 50 0 EIAARN Cc1ccc2oc(=O)c(-c3nc(-c4ccccc4Cl)no3)cc2c1 ZINC000015678956 564070655 /nfs/dbraw/zinc/07/06/55/564070655.db2.gz PSKDMRKNPVVJEZ-UHFFFAOYSA-N 0 0 338.750 4.472 50 0 EIAARN O=C(CCc1ccco1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000012807253 564072501 /nfs/dbraw/zinc/07/25/01/564072501.db2.gz ZKMVAVUEJKSADB-UHFFFAOYSA-N 0 0 348.374 4.176 50 0 EIAARN Cc1ccccc1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000012808172 564072565 /nfs/dbraw/zinc/07/25/65/564072565.db2.gz MMHVCGRQWMNDCI-AWEZNQCLSA-N 0 0 339.464 4.236 50 0 EIAARN Cc1c(-c2nc(-c3ccccc3C)no2)nnn1-c1cc(C)cc(C)c1 ZINC000015731574 564072643 /nfs/dbraw/zinc/07/26/43/564072643.db2.gz YOFZFJARTZWAPR-UHFFFAOYSA-N 0 0 345.406 4.218 50 0 EIAARN Cc1cc(C)c2nc(S[C@H](C)C(=O)N3CCCC3)cc(C)c2c1 ZINC000011907457 564072956 /nfs/dbraw/zinc/07/29/56/564072956.db2.gz QQDLAGGDRSXUFJ-OAHLLOKOSA-N 0 0 328.481 4.263 50 0 EIAARN CC[C@H](NC(=O)CCOc1ccc(OC)cc1)c1ccc(C)cc1 ZINC000015741681 564073030 /nfs/dbraw/zinc/07/30/30/564073030.db2.gz AWCHXOGVJCEXBN-IBGZPJMESA-N 0 0 327.424 4.040 50 0 EIAARN COc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000006061802 564073315 /nfs/dbraw/zinc/07/33/15/564073315.db2.gz AJRSJZHAZOLRQA-HNNXBMFYSA-N 0 0 335.403 4.105 50 0 EIAARN Cc1cc(C(=O)NCc2sc(-c3cccs3)nc2C)c(C)o1 ZINC000085470950 564073385 /nfs/dbraw/zinc/07/33/85/564073385.db2.gz HBZYGVWEHJJRAG-UHFFFAOYSA-N 0 0 332.450 4.320 50 0 EIAARN O=C(Nc1cnc(Oc2ccccc2)nc1)c1c(F)cccc1Cl ZINC000085472007 564073440 /nfs/dbraw/zinc/07/34/40/564073440.db2.gz XXQOSCRRNXSQAX-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN Cc1csc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)c1 ZINC000085474137 564073541 /nfs/dbraw/zinc/07/35/41/564073541.db2.gz QJJRYTCOYCESCT-UHFFFAOYSA-N 0 0 347.486 4.341 50 0 EIAARN COCCN(Cc1ccoc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000085474504 564073561 /nfs/dbraw/zinc/07/35/61/564073561.db2.gz YJHMFRUSFFWFSM-UHFFFAOYSA-N 0 0 330.428 4.258 50 0 EIAARN COCCCc1nc(-c2cc(C)n(-c3cc(C)on3)c2C)cs1 ZINC000063630185 564073613 /nfs/dbraw/zinc/07/36/13/564073613.db2.gz UEWKSWFNPGUYRB-UHFFFAOYSA-N 0 0 331.441 4.093 50 0 EIAARN O=C(CC1CCCC1)NCc1ccc([C@H](O)c2cccs2)s1 ZINC000085562178 564074030 /nfs/dbraw/zinc/07/40/30/564074030.db2.gz VFVARJZZLMOHOU-QGZVFWFLSA-N 0 0 335.494 4.088 50 0 EIAARN Cc1csc(C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1 ZINC000085562187 564074053 /nfs/dbraw/zinc/07/40/53/564074053.db2.gz JFRLBSQMVWYFNE-HNNXBMFYSA-N 0 0 349.502 4.191 50 0 EIAARN O=C(Nc1cc(-c2ccccc2)on1)N1CC[C@H](Oc2ccccc2)C1 ZINC000085609764 564074268 /nfs/dbraw/zinc/07/42/68/564074268.db2.gz SMIUKKONVMPCEF-KRWDZBQOSA-N 0 0 349.390 4.027 50 0 EIAARN COc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1C ZINC000001508371 564074869 /nfs/dbraw/zinc/07/48/69/564074869.db2.gz BTSSODQBDDJFBE-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)o1 ZINC000001516986 564075235 /nfs/dbraw/zinc/07/52/35/564075235.db2.gz CQEVWHCSUIJWTR-UHFFFAOYSA-N 0 0 333.347 4.352 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2cc(C)ccc2C)c(C)n1 ZINC000012859865 564075677 /nfs/dbraw/zinc/07/56/77/564075677.db2.gz DGVMWWLYHUVQKA-UHFFFAOYSA-N 0 0 329.469 4.003 50 0 EIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cccc(Cl)c1 ZINC000012864871 564075820 /nfs/dbraw/zinc/07/58/20/564075820.db2.gz YIBGTUVYJUJYCZ-UHFFFAOYSA-N 0 0 340.814 4.190 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)c(C)c1 ZINC000012874371 564076597 /nfs/dbraw/zinc/07/65/97/564076597.db2.gz RSDAPDMHECTPFE-HXUWFJFHSA-N 0 0 334.419 4.206 50 0 EIAARN CCC(=O)Nc1nc2cc(NC(=O)c3ccccc3C)ccc2s1 ZINC000015863755 564077140 /nfs/dbraw/zinc/07/71/40/564077140.db2.gz AQGWWSIXMNNZJS-UHFFFAOYSA-N 0 0 339.420 4.206 50 0 EIAARN Cc1ccc(Cn2cc(C(=O)Nc3ccc(C)cc3C)ccc2=O)cc1 ZINC000015883142 564077442 /nfs/dbraw/zinc/07/74/42/564077442.db2.gz POSDBFFESYBJGW-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000012892231 564077565 /nfs/dbraw/zinc/07/75/65/564077565.db2.gz ZKJGIZRMQQSPTL-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C ZINC000012915024 564078019 /nfs/dbraw/zinc/07/80/19/564078019.db2.gz HILORJXRQAUXHK-UHFFFAOYSA-N 0 0 342.826 4.336 50 0 EIAARN CCOCc1c2ccccc2oc1C(=O)N[C@@H]1CCc2ccccc21 ZINC000012924441 564078464 /nfs/dbraw/zinc/07/84/64/564078464.db2.gz XTSNVLXCPCMICB-GOSISDBHSA-N 0 0 335.403 4.387 50 0 EIAARN Cc1noc(C)c1C(=O)NCCc1ccc(-c2ccsc2)s1 ZINC000575414004 564078866 /nfs/dbraw/zinc/07/88/66/564078866.db2.gz IIQJZXNXDIELOJ-UHFFFAOYSA-N 0 0 332.450 4.054 50 0 EIAARN O=C(NCc1cncc(-c2ccco2)c1)c1ccc(F)cc1Cl ZINC000575414308 564078925 /nfs/dbraw/zinc/07/89/25/564078925.db2.gz ABMZYCWGBSCGJE-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN Cc1cccc(C(C)(C)NC(=O)N[C@H](c2nccs2)C2CC2)c1 ZINC000074709166 564078995 /nfs/dbraw/zinc/07/89/95/564078995.db2.gz HSKFXLOJXHCKNB-HNNXBMFYSA-N 0 0 329.469 4.137 50 0 EIAARN Cc1ccc2cccc(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)c2n1 ZINC000088381322 564079055 /nfs/dbraw/zinc/07/90/55/564079055.db2.gz YXKABBLPZKCGDX-INIZCTEOSA-N 0 0 335.411 4.025 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)CCc1c[nH]c2ccccc12 ZINC000012933754 564079087 /nfs/dbraw/zinc/07/90/87/564079087.db2.gz OBTLRTGNPAWHQD-UHFFFAOYSA-N 0 0 349.459 4.369 50 0 EIAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(Cl)cc1 ZINC000012934060 564079140 /nfs/dbraw/zinc/07/91/40/564079140.db2.gz JUEZBCOIMFDVRV-UHFFFAOYSA-N 0 0 335.860 4.035 50 0 EIAARN COC(=O)c1sccc1CSc1nnc(-c2ccccc2C)o1 ZINC000088484829 564079432 /nfs/dbraw/zinc/07/94/32/564079432.db2.gz CKBZEGLNQRCZKJ-UHFFFAOYSA-N 0 0 346.433 4.185 50 0 EIAARN COc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000575443505 564079549 /nfs/dbraw/zinc/07/95/49/564079549.db2.gz QLJLGMFLWZMQNA-KRWDZBQOSA-N 0 0 333.840 4.436 50 0 EIAARN CC(=O)c1ccccc1OCCN1c2cccc3cccc(c23)C1=O ZINC000012942348 564079656 /nfs/dbraw/zinc/07/96/56/564079656.db2.gz XETXRGPFJXXZMZ-UHFFFAOYSA-N 0 0 331.371 4.082 50 0 EIAARN Cc1nc(-c2cccc(C(=O)N(C(C)C)C3CCOCC3)c2)cs1 ZINC000074957583 564079657 /nfs/dbraw/zinc/07/96/57/564079657.db2.gz YTJDBNULFKQMCH-UHFFFAOYSA-N 0 0 344.480 4.148 50 0 EIAARN O=c1oc2ccc(F)cc2cc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000012946009 564079694 /nfs/dbraw/zinc/07/96/94/564079694.db2.gz VJGDRGOMIYOTJH-UHFFFAOYSA-N 0 0 342.713 4.303 50 0 EIAARN CCSc1cncc(N[C@H](C)c2ccc(-c3cncnc3)cc2)n1 ZINC000075064320 564079850 /nfs/dbraw/zinc/07/98/50/564079850.db2.gz BKKMUWFELUVHCN-CYBMUJFWSA-N 0 0 337.452 4.219 50 0 EIAARN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ncnc4c3CCC4)n2)c1 ZINC000075094647 564079977 /nfs/dbraw/zinc/07/99/77/564079977.db2.gz JTALBTNHKKSUNQ-IBGZPJMESA-N 0 0 345.450 4.005 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CSc2ccccc2Cl)c1 ZINC000012950536 564080181 /nfs/dbraw/zinc/08/01/81/564080181.db2.gz RTGHPVDHFVSOID-UHFFFAOYSA-N 0 0 334.828 4.029 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000075108212 564080214 /nfs/dbraw/zinc/08/02/14/564080214.db2.gz VIMWLXBDGDXBMK-MSOLQXFVSA-N 0 0 346.471 4.045 50 0 EIAARN Cc1noc(C)c1NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000075134346 564080514 /nfs/dbraw/zinc/08/05/14/564080514.db2.gz BVRQCJDYFBBMCK-NSHDSACASA-N 0 0 342.424 4.298 50 0 EIAARN Cc1noc2ncc(NC(=O)c3sccc3SC(F)F)cc12 ZINC000075134306 564080515 /nfs/dbraw/zinc/08/05/15/564080515.db2.gz LMROYYNJZASWAC-UHFFFAOYSA-N 0 0 341.364 4.160 50 0 EIAARN Cc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)nn(C)c2C)o1 ZINC000075143302 564080662 /nfs/dbraw/zinc/08/06/62/564080662.db2.gz JSNVTHGNTHSKGI-SFHVURJKSA-N 0 0 343.471 4.015 50 0 EIAARN O=C(c1cc(C2CC2)on1)N(CCc1cccs1)Cc1ccco1 ZINC000075170179 564081023 /nfs/dbraw/zinc/08/10/23/564081023.db2.gz QPKYBOOINFVIMF-UHFFFAOYSA-N 0 0 342.420 4.092 50 0 EIAARN CCCCOc1ccc(-n2c(C(F)(F)F)nn(C)c2=S)cc1 ZINC000075272680 564081355 /nfs/dbraw/zinc/08/13/55/564081355.db2.gz MZDQLKKWUDJPDP-UHFFFAOYSA-N 0 0 331.363 4.138 50 0 EIAARN CCOC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000075278990 564081410 /nfs/dbraw/zinc/08/14/10/564081410.db2.gz LAZUNISMEVGNRI-UHFFFAOYSA-N 0 0 338.359 4.228 50 0 EIAARN Cc1nc(-c2cc(NC(=O)/C=C/c3ccc(C)cc3)c(C)s2)no1 ZINC000075351535 564081966 /nfs/dbraw/zinc/08/19/66/564081966.db2.gz DYZSAQOWZHHXCG-CMDGGOBGSA-N 0 0 339.420 4.375 50 0 EIAARN c1csc(-c2nnc(CSc3ncnc4sccc43)o2)c1 ZINC000002617509 564082439 /nfs/dbraw/zinc/08/24/39/564082439.db2.gz CFSFWUJTUPCLSQ-UHFFFAOYSA-N 0 0 332.435 4.095 50 0 EIAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccccc1Cl ZINC000575610038 564082537 /nfs/dbraw/zinc/08/25/37/564082537.db2.gz JCRJKTYQKPRKBQ-AWEZNQCLSA-N 0 0 347.823 4.125 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccsc2)o1 ZINC000575609784 564082564 /nfs/dbraw/zinc/08/25/64/564082564.db2.gz HAPGMZBDEXMSEK-CYBMUJFWSA-N 0 0 327.405 4.092 50 0 EIAARN O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000006226070 564083070 /nfs/dbraw/zinc/08/30/70/564083070.db2.gz RPIBSOUCSLMPBH-NTUHNPAUSA-N 0 0 337.759 4.309 50 0 EIAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(CC)c2)s1 ZINC000006284378 564083543 /nfs/dbraw/zinc/08/35/43/564083543.db2.gz RAMOXJHEJXVMHQ-UHFFFAOYSA-N 0 0 348.493 4.468 50 0 EIAARN C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000006314027 564084491 /nfs/dbraw/zinc/08/44/91/564084491.db2.gz QQYQSYDJJXCYCJ-CQSZACIVSA-N 0 0 349.883 4.329 50 0 EIAARN COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000012761942 564084547 /nfs/dbraw/zinc/08/45/47/564084547.db2.gz ICBWORURVQOCTG-QHSLDKKCSA-N 0 0 337.419 4.081 50 0 EIAARN O=C(c1cc(N2CCCCCC2)ccn1)N1CCCc2ccccc21 ZINC000090608780 564084910 /nfs/dbraw/zinc/08/49/10/564084910.db2.gz ALIQRLYVYTWBMF-UHFFFAOYSA-N 0 0 335.451 4.055 50 0 EIAARN Cc1occc1C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C ZINC000064109356 564085190 /nfs/dbraw/zinc/08/51/90/564085190.db2.gz OWLXNVSVOPHNDY-UHFFFAOYSA-N 0 0 344.411 4.207 50 0 EIAARN COC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000006365031 564085379 /nfs/dbraw/zinc/08/53/79/564085379.db2.gz MPMDDOJNNAMSFI-VIFPVBQESA-N 0 0 348.424 4.151 50 0 EIAARN CCc1nnsc1C(=O)Nc1c2ccccc2nc(C)c1C(C)C ZINC000191319836 564085685 /nfs/dbraw/zinc/08/56/85/564085685.db2.gz GWBKSWSILZELML-UHFFFAOYSA-N 0 0 340.452 4.333 50 0 EIAARN CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1 ZINC000012986991 564085711 /nfs/dbraw/zinc/08/57/11/564085711.db2.gz AWICXXJEMHDYDL-UHFFFAOYSA-N 0 0 335.190 4.340 50 0 EIAARN COC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000275334 564086107 /nfs/dbraw/zinc/08/61/07/564086107.db2.gz CMVOGUPMYCVJCC-UHFFFAOYSA-N 0 0 339.178 4.424 50 0 EIAARN Cc1cccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000006430052 564086195 /nfs/dbraw/zinc/08/61/95/564086195.db2.gz HVRWEGMOMNUXMW-UHFFFAOYSA-N 0 0 341.451 4.083 50 0 EIAARN CN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2s1 ZINC000006429920 564086200 /nfs/dbraw/zinc/08/62/00/564086200.db2.gz YJIIOOOGGDKSNE-UHFFFAOYSA-N 0 0 328.412 4.027 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1Cl ZINC000012998682 564086235 /nfs/dbraw/zinc/08/62/35/564086235.db2.gz NRLRAMWTSXVYJC-UHFFFAOYSA-N 0 0 341.838 4.108 50 0 EIAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000013008836 564086456 /nfs/dbraw/zinc/08/64/56/564086456.db2.gz BFVKVZOFWOLBQK-CQSZACIVSA-N 0 0 341.455 4.023 50 0 EIAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1nnc(C2CC2)s1 ZINC000013008397 564086486 /nfs/dbraw/zinc/08/64/86/564086486.db2.gz AKMYPJMMCOFAHJ-UHFFFAOYSA-N 0 0 333.800 4.376 50 0 EIAARN CCOC(=O)c1c(=O)[nH]c2cc(Cl)ccc2c1NC1CCCCC1 ZINC000075473933 564086546 /nfs/dbraw/zinc/08/65/46/564086546.db2.gz PNDZORAVDARMQR-UHFFFAOYSA-N 0 0 348.830 4.103 50 0 EIAARN CCCc1nc2cc(CCC(=O)NCc3ccccc3C)ccc2[nH]1 ZINC000075478720 564086573 /nfs/dbraw/zinc/08/65/73/564086573.db2.gz QMNMETLWJUAANT-UHFFFAOYSA-N 0 0 335.451 4.073 50 0 EIAARN COc1cccc(CC(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000013018084 564086843 /nfs/dbraw/zinc/08/68/43/564086843.db2.gz DNDZDHGEWFEHQM-UHFFFAOYSA-N 0 0 330.434 4.061 50 0 EIAARN C[C@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 ZINC000013022847 564086911 /nfs/dbraw/zinc/08/69/11/564086911.db2.gz WKWDQJMYNPXXGE-NSHDSACASA-N 0 0 331.778 4.380 50 0 EIAARN O=C(C[C@H](c1ccccc1)n1cccc1)Nc1ccc(Cl)nc1 ZINC000253413471 564087003 /nfs/dbraw/zinc/08/70/03/564087003.db2.gz UVZKVRWSYKNEDF-MRXNPFEDSA-N 0 0 325.799 4.155 50 0 EIAARN C[C@H](NC(=O)c1ccc(-c2ccsc2)nc1)c1ccc(F)cc1 ZINC000075501983 564087116 /nfs/dbraw/zinc/08/71/16/564087116.db2.gz OWGDFLZZVBGGER-LBPRGKRZSA-N 0 0 326.396 4.440 50 0 EIAARN CC[C@@H]1CN(C(=O)Nc2ccccc2OC)c2cc(C)ccc2O1 ZINC000006440599 564087158 /nfs/dbraw/zinc/08/71/58/564087158.db2.gz SDXADEQSZNMLPO-CQSZACIVSA-N 0 0 326.396 4.213 50 0 EIAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCC(C)C ZINC000075508897 564087311 /nfs/dbraw/zinc/08/73/11/564087311.db2.gz SIXLMJBTUIVUGM-UHFFFAOYSA-N 0 0 347.462 4.293 50 0 EIAARN CCCn1cc(-c2ccncc2)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000075509041 564087330 /nfs/dbraw/zinc/08/73/30/564087330.db2.gz BNUJJDHQRNPFKT-MRXNPFEDSA-N 0 0 333.435 4.451 50 0 EIAARN OCCCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001791828 564087698 /nfs/dbraw/zinc/08/76/98/564087698.db2.gz VNDFPUOMIMTSRF-UHFFFAOYSA-N 0 0 348.233 4.398 50 0 EIAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000000319867 564087705 /nfs/dbraw/zinc/08/77/05/564087705.db2.gz CWBKFNLDZSXSKX-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000001790912 564087714 /nfs/dbraw/zinc/08/77/14/564087714.db2.gz UNXCQMTXZIHTEY-JLHYYAGUSA-N 0 0 337.419 4.314 50 0 EIAARN COc1ccccc1-c1nnc(NC(=O)c2ccc3ccccc3c2)o1 ZINC000006453641 564087802 /nfs/dbraw/zinc/08/78/02/564087802.db2.gz IDSVBPQSMPAEJF-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN COc1cccc2c1ccn2CCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000062001648 564087916 /nfs/dbraw/zinc/08/79/16/564087916.db2.gz NRSQLTDTXKFFDB-UHFFFAOYSA-N 0 0 333.391 4.160 50 0 biogenic EIAARN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1(C)C ZINC000239782421 564088219 /nfs/dbraw/zinc/08/82/19/564088219.db2.gz COKKROBPINNDRC-YIYPIFLZSA-N 0 0 335.410 4.017 50 0 EIAARN C[C@H](NC(=O)[C@H]1C[C@H]1c1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000241965769 564088443 /nfs/dbraw/zinc/08/84/43/564088443.db2.gz UVMHCQUVKKUNIH-UVBJJODRSA-N 0 0 334.341 4.081 50 0 EIAARN CC(C)c1noc([C@H](C)N[C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000248714089 564089291 /nfs/dbraw/zinc/08/92/91/564089291.db2.gz DKSRRGLLRSZUNQ-UXLLHSPISA-N 0 0 329.444 4.012 50 0 EIAARN CC(C)Oc1ccc(CNC(=O)CCc2cccc3[nH]ccc32)cc1 ZINC000075550522 564089315 /nfs/dbraw/zinc/08/93/15/564089315.db2.gz YJJIBGPXPYBJMP-UHFFFAOYSA-N 0 0 336.435 4.204 50 0 EIAARN O=C(CCc1ccc2[nH]ccc2c1)NCc1ccc(F)c(Cl)c1 ZINC000075550708 564089334 /nfs/dbraw/zinc/08/93/34/564089334.db2.gz KRIAGNMDXDPXIC-UHFFFAOYSA-N 0 0 330.790 4.209 50 0 EIAARN CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccnc1 ZINC000000526932 564089360 /nfs/dbraw/zinc/08/93/60/564089360.db2.gz AKBCFFRDLYCFRG-UHFFFAOYSA-N 0 0 330.844 4.306 50 0 EIAARN CC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000089292077 564089451 /nfs/dbraw/zinc/08/94/51/564089451.db2.gz OMQPKZMUDJIPTP-ZDUSSCGKSA-N 0 0 331.824 4.371 50 0 EIAARN CCN(C(=O)N[C@H](C)c1cc(C)ccc1OC)[C@H](C)c1cccnc1 ZINC000075613251 564089906 /nfs/dbraw/zinc/08/99/06/564089906.db2.gz FRHAHMYEOZBSST-HZPDHXFCSA-N 0 0 341.455 4.252 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000006477363 564089914 /nfs/dbraw/zinc/08/99/14/564089914.db2.gz GDZRGQLJFFDXRJ-UONOGXRCSA-N 0 0 346.810 4.230 50 0 EIAARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1 ZINC000001993669 564090416 /nfs/dbraw/zinc/09/04/16/564090416.db2.gz ZNYZITWZIFXBEP-UHFFFAOYSA-N 0 0 345.826 4.433 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)c2cccnc12 ZINC000089438451 564090591 /nfs/dbraw/zinc/09/05/91/564090591.db2.gz XHRDXRGAPOMPCO-KRWDZBQOSA-N 0 0 348.406 4.007 50 0 EIAARN COc1cc(-c2nnc([C@H]3CCCOC3)o2)ccc1OCCC(C)C ZINC000521393721 564090848 /nfs/dbraw/zinc/09/08/48/564090848.db2.gz BABVUTHJOHEIGY-HNNXBMFYSA-N 0 0 346.427 4.064 50 0 EIAARN Cc1noc(C)c1CCc1nnc(COc2ccc3ccccc3c2)o1 ZINC000521393813 564090893 /nfs/dbraw/zinc/09/08/93/564090893.db2.gz PCHKUOTYKCVHQI-UHFFFAOYSA-N 0 0 349.390 4.192 50 0 EIAARN CC[C@@H](C)c1ccc(OCC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000006508236 564091196 /nfs/dbraw/zinc/09/11/96/564091196.db2.gz UQYBJOLHBVSINB-CQSZACIVSA-N 0 0 325.408 4.420 50 0 EIAARN C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000249047118 564091689 /nfs/dbraw/zinc/09/16/89/564091689.db2.gz HCKPPZMSOFBTOZ-ZIBATOQPSA-N 0 0 345.270 4.263 50 0 EIAARN COc1ccc(SCC(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000006540166 564091823 /nfs/dbraw/zinc/09/18/23/564091823.db2.gz KTIJFUUELUMDNT-UHFFFAOYSA-N 0 0 344.461 4.344 50 0 EIAARN COc1ccc(-c2nnc(SCC(C)=O)n2C2CCCCC2)cc1 ZINC000006546558 564091881 /nfs/dbraw/zinc/09/18/81/564091881.db2.gz NUSYEEWSKUZSJI-UHFFFAOYSA-N 0 0 345.468 4.140 50 0 EIAARN O=C(CCC(=O)c1cccs1)N[C@@H]1CCSc2ccccc21 ZINC000006558758 564092083 /nfs/dbraw/zinc/09/20/83/564092083.db2.gz VCRKSPHKFRDGSN-CYBMUJFWSA-N 0 0 331.462 4.064 50 0 EIAARN COCc1ccc(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)o1 ZINC000192588530 564092108 /nfs/dbraw/zinc/09/21/08/564092108.db2.gz SYAJNEQQENUGHF-UHFFFAOYSA-N 0 0 338.363 4.174 50 0 EIAARN CC[C@H](C(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(OC)cc1 ZINC000192604505 564092211 /nfs/dbraw/zinc/09/22/11/564092211.db2.gz KICJYNAUJFBNPY-WMZOPIPTSA-N 0 0 344.480 4.317 50 0 EIAARN Cc1ccc(-c2csc3ncnc(S[C@H]4CCOC4=O)c23)cc1 ZINC000006589519 564092338 /nfs/dbraw/zinc/09/23/38/564092338.db2.gz KLJSDTWGYHCYFM-ZDUSSCGKSA-N 0 0 342.445 4.074 50 0 EIAARN O=C(OCc1c(F)cccc1Cl)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000006590135 564092401 /nfs/dbraw/zinc/09/24/01/564092401.db2.gz GQNQKDDWMAQVRQ-OAHLLOKOSA-N 0 0 341.165 4.179 50 0 EIAARN CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccc(Cl)cc1 ZINC000006590431 564092427 /nfs/dbraw/zinc/09/24/27/564092427.db2.gz XPCOUJLTRXOGQH-UHFFFAOYSA-N 0 0 346.814 4.227 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)ccn1 ZINC000006608419 564093267 /nfs/dbraw/zinc/09/32/67/564093267.db2.gz UNKMYWPPIBDTKP-UHFFFAOYSA-N 0 0 336.366 4.360 50 0 EIAARN CCC[C@@]1(CO)CCCN(C(=O)c2cccc(-c3cccs3)c2)C1 ZINC000426388401 564093554 /nfs/dbraw/zinc/09/35/54/564093554.db2.gz LFXHXCOZMRPGKN-HXUWFJFHSA-N 0 0 343.492 4.430 50 0 EIAARN CCCC[C@@H]1C=CCN1C(=O)Nc1cnn(Cc2ccccc2F)c1 ZINC000426471353 564093842 /nfs/dbraw/zinc/09/38/42/564093842.db2.gz LDZGCDCOJQWVSN-QGZVFWFLSA-N 0 0 342.418 4.033 50 0 EIAARN CO[C@@H]1CCCN(C(=O)c2ccc(-c3cc(F)ccc3C)cc2)C1 ZINC000426484794 564093848 /nfs/dbraw/zinc/09/38/48/564093848.db2.gz NSDQPYRJBPRGNN-GOSISDBHSA-N 0 0 327.399 4.052 50 0 EIAARN CC(C)n1ccnc1-c1cccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000426613589 564094218 /nfs/dbraw/zinc/09/42/18/564094218.db2.gz HIYRQWCKNRBYJN-KDURUIRLSA-N 0 0 335.451 4.169 50 0 EIAARN CC(C)CCC[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000006627732 564094658 /nfs/dbraw/zinc/09/46/58/564094658.db2.gz ZVONHDMJJYONDM-LLVKDONJSA-N 0 0 338.300 4.487 50 0 EIAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CCCCC1 ZINC000006638987 564094842 /nfs/dbraw/zinc/09/48/42/564094842.db2.gz GSPQONSOLDPYMH-UHFFFAOYSA-N 0 0 336.863 4.016 50 0 EIAARN O=C(CC1CCCCC1)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064663026 564094850 /nfs/dbraw/zinc/09/48/50/564094850.db2.gz XDNJBEWTUAFPQN-UHFFFAOYSA-N 0 0 349.478 4.405 50 0 EIAARN Cc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000064667228 564094944 /nfs/dbraw/zinc/09/49/44/564094944.db2.gz HIIZBUORILZGTA-MRXNPFEDSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccc(Cl)cc1 ZINC000064667237 564094950 /nfs/dbraw/zinc/09/49/50/564094950.db2.gz WBJUZVPGWCIXNI-MRXNPFEDSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 ZINC000064667297 564094963 /nfs/dbraw/zinc/09/49/63/564094963.db2.gz RJSNAQWEADVNJD-INIZCTEOSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1ccc(-n2ccn3cc(-c4ccc(Cl)cc4)nc3c2=O)c(C)c1 ZINC000064675372 564095124 /nfs/dbraw/zinc/09/51/24/564095124.db2.gz JXAISOFDRQCJDS-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN Cc1ccc(-c2nc(C(=O)NCc3ccccc3Cl)cs2)n1C ZINC000064676544 564095182 /nfs/dbraw/zinc/09/51/82/564095182.db2.gz JFXNCXWQRGACBJ-UHFFFAOYSA-N 0 0 345.855 4.040 50 0 EIAARN Cc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)cs2)n1C ZINC000064676546 564095202 /nfs/dbraw/zinc/09/52/02/564095202.db2.gz ZZBHFTRWEGPBME-UHFFFAOYSA-N 0 0 345.855 4.040 50 0 EIAARN O=C(CCc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F ZINC000006650123 564095207 /nfs/dbraw/zinc/09/52/07/564095207.db2.gz LDUOPYKRJHDCEW-UHFFFAOYSA-N 0 0 336.338 4.285 50 0 EIAARN CC1CCN(c2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)CC1 ZINC000064676942 564095247 /nfs/dbraw/zinc/09/52/47/564095247.db2.gz OEOXBFOFENPSKZ-UHFFFAOYSA-N 0 0 338.386 4.174 50 0 EIAARN O=C(CC1CCCC1)N1CCC(CCOc2ccccc2F)CC1 ZINC000064678046 564095325 /nfs/dbraw/zinc/09/53/25/564095325.db2.gz UANUPWZEKREKEL-UHFFFAOYSA-N 0 0 333.447 4.414 50 0 EIAARN COc1ccccc1CNC(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000064677375 564095368 /nfs/dbraw/zinc/09/53/68/564095368.db2.gz HHEFAPAPGJOQAC-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 biogenic EIAARN C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1ccc(F)c(F)c1 ZINC000006654280 564095500 /nfs/dbraw/zinc/09/55/00/564095500.db2.gz CIJVQGGMVUQFNV-SNVBAGLBSA-N 0 0 346.358 4.378 50 0 EIAARN COc1ccc(CSc2nnc(C)n2-c2ccc(C)cc2)cc1F ZINC000006654262 564095507 /nfs/dbraw/zinc/09/55/07/564095507.db2.gz FYKGXGDVAMQYRB-UHFFFAOYSA-N 0 0 343.427 4.324 50 0 EIAARN Cc1nc2sc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c(N)c2c(C)c1C ZINC000006659479 564095532 /nfs/dbraw/zinc/09/55/32/564095532.db2.gz BMZKYRZDWXTOPE-UWVGGRQHSA-N 0 0 331.485 4.207 50 0 EIAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3Cc2ccco2)cc1 ZINC000006662696 564095622 /nfs/dbraw/zinc/09/56/22/564095622.db2.gz YMMHPKCWJAOAJJ-UHFFFAOYSA-N 0 0 348.406 4.442 50 0 EIAARN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F ZINC000006667884 564095678 /nfs/dbraw/zinc/09/56/78/564095678.db2.gz XOEUNYGNCVZQNZ-UHFFFAOYSA-N 0 0 334.199 4.242 50 0 EIAARN CCCS(=O)(=O)Nc1ccc2nc(SCC(C)C)sc2c1 ZINC000064747852 564095847 /nfs/dbraw/zinc/09/58/47/564095847.db2.gz SHWZDTYUHXDDPJ-UHFFFAOYSA-N 0 0 344.527 4.196 50 0 EIAARN CC(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc1 ZINC000006727378 564096535 /nfs/dbraw/zinc/09/65/35/564096535.db2.gz YEMXBUZCBRKZQE-QGZVFWFLSA-N 0 0 341.480 4.288 50 0 EIAARN Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1F ZINC000064818540 564096561 /nfs/dbraw/zinc/09/65/61/564096561.db2.gz VZDPENXFALINNH-UHFFFAOYSA-N 0 0 338.386 4.246 50 0 EIAARN Cc1ncccc1-n1cccc1C(=O)Nc1ccc(Cl)cc1F ZINC000064839247 564096711 /nfs/dbraw/zinc/09/67/11/564096711.db2.gz AFOHISNMMRYJHO-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN CCc1cccc(NC(=O)c2cc3c(c4ccccc4oc3=O)n2C)c1 ZINC000064838937 564096802 /nfs/dbraw/zinc/09/68/02/564096802.db2.gz XOAVFDHOTSCQPR-UHFFFAOYSA-N 0 0 346.386 4.099 50 0 EIAARN COc1ccc(C(=O)N(Cc2ccco2)Cc2cccc(F)c2)cc1 ZINC000006747574 564096933 /nfs/dbraw/zinc/09/69/33/564096933.db2.gz DYEXRGJJRNNFGO-UHFFFAOYSA-N 0 0 339.366 4.270 50 0 EIAARN C=C1C(Nc2cc(C)cc(C)c2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000006750965 564097132 /nfs/dbraw/zinc/09/71/32/564097132.db2.gz OOJWKRRTQFQQLL-UHFFFAOYSA-N 0 0 340.448 4.197 50 0 EIAARN Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3ccccc3F)on2)cc1 ZINC000006757696 564097289 /nfs/dbraw/zinc/09/72/89/564097289.db2.gz ZILGTTIXGAEONR-ZDUSSCGKSA-N 0 0 340.354 4.195 50 0 EIAARN CCOc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1 ZINC000006767592 564097372 /nfs/dbraw/zinc/09/73/72/564097372.db2.gz UWSNXFCRYSBJLT-UHFFFAOYSA-N 0 0 343.770 4.041 50 0 EIAARN Cc1ccccc1CSCC1N=NC(=S)N1c1ccccc1F ZINC000006789677 564097894 /nfs/dbraw/zinc/09/78/94/564097894.db2.gz QHTVQBLQUIUJPG-UHFFFAOYSA-N 0 0 345.468 4.437 50 0 EIAARN CCCN(Cc1cccs1)C(=O)Nc1cc(OC)ccc1OC ZINC000006791199 564097961 /nfs/dbraw/zinc/09/79/61/564097961.db2.gz BSGBBOXMQUVXDS-UHFFFAOYSA-N 0 0 334.441 4.209 50 0 EIAARN CCc1ccccc1NC(=O)CCCn1sc2ccccc2c1=O ZINC000006800149 564098196 /nfs/dbraw/zinc/09/81/96/564098196.db2.gz AMJCOTRXFOIJJS-UHFFFAOYSA-N 0 0 340.448 4.044 50 0 EIAARN CCc1c(C)c(C(=O)NCC(C)C)n(Cc2ccccc2C)c1C ZINC000006801658 564098305 /nfs/dbraw/zinc/09/83/05/564098305.db2.gz BWNVVLWNYZXGPV-UHFFFAOYSA-N 0 0 326.484 4.410 50 0 EIAARN CCn1c2ccccc2c(C[NH2+]Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000006803631 564098309 /nfs/dbraw/zinc/09/83/09/564098309.db2.gz XROPJKIVNRNJSA-UHFFFAOYSA-N 0 0 342.826 4.303 50 0 EIAARN Cc1ccc2oc(C(=O)Nc3cccc(Cl)c3C)cc(=O)c2c1 ZINC000006811219 564098578 /nfs/dbraw/zinc/09/85/78/564098578.db2.gz KWKSUAZYSVMOLL-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN Cc1cc(C)c2oc(C(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 ZINC000006811312 564098605 /nfs/dbraw/zinc/09/86/05/564098605.db2.gz RHNQRZVEEMRAQQ-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN COc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1Cl ZINC000006811247 564098615 /nfs/dbraw/zinc/09/86/15/564098615.db2.gz AIXSALALBIEWLV-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(C)c(C)c2)C(=O)N1 ZINC000006819189 564098765 /nfs/dbraw/zinc/09/87/65/564098765.db2.gz XNEVVVLJXGCYFL-PXNSSMCTSA-N 0 0 338.407 4.082 50 0 EIAARN CC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000006831390 564099198 /nfs/dbraw/zinc/09/91/98/564099198.db2.gz PZUXUWDUQWJJCR-UHFFFAOYSA-N 0 0 337.206 4.247 50 0 EIAARN COc1ccccc1CC(=O)Nc1ccc2nc(SC)sc2c1 ZINC000006839551 564099316 /nfs/dbraw/zinc/09/93/16/564099316.db2.gz IQDGYVHBPMPGCH-UHFFFAOYSA-N 0 0 344.461 4.208 50 0 EIAARN CCN(C(=O)c1cccc2c1SCCC2=O)c1ccccc1F ZINC000006841567 564099373 /nfs/dbraw/zinc/09/93/73/564099373.db2.gz YOWRZTIIDRFNOH-UHFFFAOYSA-N 0 0 329.396 4.171 50 0 EIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccccc1Br)CCO2 ZINC000006842588 564099421 /nfs/dbraw/zinc/09/94/21/564099421.db2.gz WMDWEIVTGZXDJO-UHFFFAOYSA-N 0 0 347.212 4.188 50 0 EIAARN CC[C@@H]1CN(C(=O)Nc2ccc(OC)cc2)c2cc(C)ccc2O1 ZINC000006843197 564099495 /nfs/dbraw/zinc/09/94/95/564099495.db2.gz JKLUVRRIWLDQSD-OAHLLOKOSA-N 0 0 326.396 4.213 50 0 EIAARN CCCn1c2ccccc2n(Cc2ccc(Br)cc2)c1=O ZINC000006850716 564099620 /nfs/dbraw/zinc/09/96/20/564099620.db2.gz VLVXZSBXADLMNI-UHFFFAOYSA-N 0 0 345.240 4.024 50 0 EIAARN CCC(=O)Nc1ccc(C2(C(=O)N[C@H](C)CC)CCCCC2)cc1 ZINC000065027395 564099688 /nfs/dbraw/zinc/09/96/88/564099688.db2.gz ZDZZPFLGRQGMTQ-OAHLLOKOSA-N 0 0 330.472 4.152 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1cn(C)c2ccccc12 ZINC000006857951 564099695 /nfs/dbraw/zinc/09/96/95/564099695.db2.gz UVNWPGIEDSOXPU-KRWDZBQOSA-N 0 0 334.463 4.248 50 0 EIAARN COC(=O)c1cc(Nc2ccc(C)cc2C)c2cccc(OC)c2n1 ZINC000065033652 564099927 /nfs/dbraw/zinc/09/99/27/564099927.db2.gz GQZZQHOOLYBYFN-UHFFFAOYSA-N 0 0 336.391 4.390 50 0 EIAARN CC[C@H](Sc1nc2cccnc2[nH]1)C(=O)Nc1cc(C)ccc1C ZINC000006877756 564100432 /nfs/dbraw/zinc/10/04/32/564100432.db2.gz QUYXBYQRLYGCFT-HNNXBMFYSA-N 0 0 340.452 4.084 50 0 EIAARN CC(=O)c1sc(NC(=O)c2cc3c(cccc3F)s2)nc1C ZINC000006880439 564100505 /nfs/dbraw/zinc/10/05/05/564100505.db2.gz BTFKTYIGUUBAJW-UHFFFAOYSA-N 0 0 334.397 4.260 50 0 EIAARN CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000006886765 564100707 /nfs/dbraw/zinc/10/07/07/564100707.db2.gz ZJAKMHCVACQRAR-SFHVURJKSA-N 0 0 345.826 4.490 50 0 EIAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000065084345 564100843 /nfs/dbraw/zinc/10/08/43/564100843.db2.gz DAMSOSZMOQXWLH-UHFFFAOYSA-N 0 0 346.430 4.283 50 0 EIAARN Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+]Cc1ccccc1Cl ZINC000006894418 564100947 /nfs/dbraw/zinc/10/09/47/564100947.db2.gz PJDCHUDPBXIEJL-UHFFFAOYSA-N 0 0 328.799 4.118 50 0 EIAARN O=C(Nc1ccc(Br)cn1)C1(c2ccccc2)CCCC1 ZINC000006898785 564100973 /nfs/dbraw/zinc/10/09/73/564100973.db2.gz AMCYBHHHIBSRKW-UHFFFAOYSA-N 0 0 345.240 4.295 50 0 EIAARN CCC(=O)NCc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)s1 ZINC000065096967 564101019 /nfs/dbraw/zinc/10/10/19/564101019.db2.gz YUUOCENWVWVPFX-UHFFFAOYSA-N 0 0 341.436 4.108 50 0 EIAARN C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)NC1CCCCC1 ZINC000006908526 564101146 /nfs/dbraw/zinc/10/11/46/564101146.db2.gz HVMTWTJJQNWWIV-SNVBAGLBSA-N 0 0 337.876 4.146 50 0 EIAARN CCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3OC)ccc21 ZINC000006912527 564101234 /nfs/dbraw/zinc/10/12/34/564101234.db2.gz LREXLRNPXUTMOA-UHFFFAOYSA-N 0 0 336.435 4.217 50 0 EIAARN O=c1c(SCc2ccc(F)cc2)nccn1-c1cccc(Cl)c1 ZINC000006915358 564101430 /nfs/dbraw/zinc/10/14/30/564101430.db2.gz ABPAAIOQTXXGJM-UHFFFAOYSA-N 0 0 346.814 4.317 50 0 EIAARN Cc1ccc(CSc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000006915429 564101445 /nfs/dbraw/zinc/10/14/45/564101445.db2.gz VFJHFMLNJWKMNF-UHFFFAOYSA-N 0 0 336.460 4.450 50 0 EIAARN Cc1ccc(-c2nc(-c3ccc4c(c3)oc(=O)n4C(C)C)no2)cc1 ZINC000065138318 564101579 /nfs/dbraw/zinc/10/15/79/564101579.db2.gz OAXKACFGWDJAHU-UHFFFAOYSA-N 0 0 335.363 4.201 50 0 EIAARN CC1=C(C(=O)Nc2c(C)cccc2C)C2(CCCCCC2)OC1=O ZINC000006933569 564101726 /nfs/dbraw/zinc/10/17/26/564101726.db2.gz BBMXEHPSWLCLQF-UHFFFAOYSA-N 0 0 327.424 4.208 50 0 biogenic EIAARN COc1ccccc1/C=C/c1nc(-c2ccc3oc(C)nc3c2)no1 ZINC000065149685 564101794 /nfs/dbraw/zinc/10/17/94/564101794.db2.gz VQOLVYREGYTURY-CSKARUKUSA-N 0 0 333.347 4.365 50 0 EIAARN CCc1nc2cc(-c3noc(COc4ccc(F)cc4)n3)ccc2o1 ZINC000065149804 564101829 /nfs/dbraw/zinc/10/18/29/564101829.db2.gz ZOYKFHVPZXACJP-UHFFFAOYSA-N 0 0 339.326 4.158 50 0 EIAARN CSc1ncc(C(=O)Nc2ccccc2C)c(-c2ccccc2)n1 ZINC000006938142 564101855 /nfs/dbraw/zinc/10/18/55/564101855.db2.gz GWZJJBYQMGAVTF-UHFFFAOYSA-N 0 0 335.432 4.426 50 0 EIAARN CSc1ncc(C(=O)Nc2cccc(C)c2C)c(C(F)(F)F)n1 ZINC000006938286 564101858 /nfs/dbraw/zinc/10/18/58/564101858.db2.gz CAVRJWMKWDMUQR-UHFFFAOYSA-N 0 0 341.358 4.086 50 0 EIAARN CSc1ncc(C(=O)N[C@H](C)c2ccccc2)c(-c2ccccc2)n1 ZINC000006938153 564101873 /nfs/dbraw/zinc/10/18/73/564101873.db2.gz VTOWUVOQPXLCPE-CQSZACIVSA-N 0 0 349.459 4.357 50 0 EIAARN CCc1ccc(CN(C)C(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 ZINC000006936311 564101917 /nfs/dbraw/zinc/10/19/17/564101917.db2.gz ZYTJQVTVMUZDCT-UHFFFAOYSA-N 0 0 347.462 4.324 50 0 EIAARN COc1ccc(C2(C(=O)Nc3cc(-c4cccs4)no3)CC2)cc1 ZINC000065152970 564102018 /nfs/dbraw/zinc/10/20/18/564102018.db2.gz MDJCTOMFQIVKPX-UHFFFAOYSA-N 0 0 340.404 4.082 50 0 EIAARN COc1ccccc1/C=C/C(=O)Nc1cc(-c2ccsc2)no1 ZINC000065153289 564102050 /nfs/dbraw/zinc/10/20/50/564102050.db2.gz KXHBBUJNUYYCOQ-VOTSOKGWSA-N 0 0 326.377 4.064 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)cn1C)c1cccnc1 ZINC000065170617 564102200 /nfs/dbraw/zinc/10/22/00/564102200.db2.gz LTEFVHIPOIGHTE-CYBMUJFWSA-N 0 0 339.826 4.232 50 0 EIAARN O=C(NCc1ccc(N2CCCCCC2)nc1)c1cccc(Cl)c1 ZINC000065172886 564102284 /nfs/dbraw/zinc/10/22/84/564102284.db2.gz AHEYOKAUJHDUCT-UHFFFAOYSA-N 0 0 343.858 4.045 50 0 EIAARN COc1cccc(NC(=O)c2sc(NC3CCCCC3)nc2C)c1 ZINC000065184703 564102487 /nfs/dbraw/zinc/10/24/87/564102487.db2.gz UDJMICFZCQBMCR-UHFFFAOYSA-N 0 0 345.468 4.457 50 0 EIAARN O=C([C@@H](Sc1ncnc2ccccc21)c1ccccc1)N1CCCC1 ZINC000006991367 564102690 /nfs/dbraw/zinc/10/26/90/564102690.db2.gz CTNLGFUBUUSPOM-SFHVURJKSA-N 0 0 349.459 4.086 50 0 EIAARN CCCn1cc(C(=O)Nc2ccc(OC)c(Cl)c2)c2cccnc21 ZINC000065216786 564102887 /nfs/dbraw/zinc/10/28/87/564102887.db2.gz NLKYAPJICBWMFX-UHFFFAOYSA-N 0 0 343.814 4.361 50 0 EIAARN Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C3CC3)o2)s1 ZINC000065218602 564102898 /nfs/dbraw/zinc/10/28/98/564102898.db2.gz SPMGXULUVSCZFL-UHFFFAOYSA-N 0 0 331.422 4.298 50 0 EIAARN CC(C)(C)NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1 ZINC000007001844 564102973 /nfs/dbraw/zinc/10/29/73/564102973.db2.gz WDJDKPRCYVOMGO-UHFFFAOYSA-N 0 0 336.391 4.213 50 0 EIAARN CCc1cccc(-n2nnc(-c3nc(-c4ccc(C)cc4)no3)c2C)c1 ZINC000007006588 564103046 /nfs/dbraw/zinc/10/30/46/564103046.db2.gz DHHRJMUIERUCHB-UHFFFAOYSA-N 0 0 345.406 4.164 50 0 EIAARN O=C1CCCN1CCCNc1cc(-c2ccccc2)c2ccccc2n1 ZINC000007015216 564103167 /nfs/dbraw/zinc/10/31/67/564103167.db2.gz HBYNALUOZOXVFK-UHFFFAOYSA-N 0 0 345.446 4.326 50 0 EIAARN Cc1cccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000007018193 564103188 /nfs/dbraw/zinc/10/31/88/564103188.db2.gz ZDZSAZAPDFLPMY-UHFFFAOYSA-N 0 0 337.250 4.372 50 0 EIAARN CCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)cc2)n1 ZINC000065250616 564103451 /nfs/dbraw/zinc/10/34/51/564103451.db2.gz MKXWTPNAZCKRQS-UHFFFAOYSA-N 0 0 349.369 4.433 50 0 EIAARN O=C(CSc1ccccn1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000007042828 564103585 /nfs/dbraw/zinc/10/35/85/564103585.db2.gz REKJEXQTSXVLCY-LJQANCHMSA-N 0 0 348.471 4.274 50 0 EIAARN CCN(CC)c1cc(CCC(=O)Nc2cc(C)ccc2C)ccn1 ZINC000065269896 564103780 /nfs/dbraw/zinc/10/37/80/564103780.db2.gz RCISKTRCDJGNQC-UHFFFAOYSA-N 0 0 325.456 4.116 50 0 EIAARN Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000007060247 564103837 /nfs/dbraw/zinc/10/38/37/564103837.db2.gz JTRALDFBIZLRBV-UHFFFAOYSA-N 0 0 326.227 4.277 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C)ccc1C ZINC000007068886 564104175 /nfs/dbraw/zinc/10/41/75/564104175.db2.gz OFSNVIVOOBXXNR-HXUWFJFHSA-N 0 0 334.419 4.206 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc(Cl)ccc1F ZINC000007116771 564105082 /nfs/dbraw/zinc/10/50/82/564105082.db2.gz LWUJMDXCNUWZIZ-UHFFFAOYSA-N 0 0 334.803 4.361 50 0 EIAARN Cc1nnc(S[C@H](C)C(=O)Nc2cccc3ccccc32)s1 ZINC000007192904 564105648 /nfs/dbraw/zinc/10/56/48/564105648.db2.gz CYQDUAYJLFAAIP-SNVBAGLBSA-N 0 0 329.450 4.119 50 0 EIAARN CCNc1nnc(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)s1 ZINC000007248614 564106013 /nfs/dbraw/zinc/10/60/13/564106013.db2.gz DJNPPYRFLXVYLA-JTQLQIEISA-N 0 0 347.469 4.182 50 0 EIAARN CCNc1nnc(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)s1 ZINC000007248618 564106041 /nfs/dbraw/zinc/10/60/41/564106041.db2.gz DJNPPYRFLXVYLA-SNVBAGLBSA-N 0 0 347.469 4.182 50 0 EIAARN CCSc1nnc(NC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000007264375 564106085 /nfs/dbraw/zinc/10/60/85/564106085.db2.gz VVBVFZDQCXXIDI-UHFFFAOYSA-N 0 0 348.280 4.138 50 0 EIAARN COc1c(CN[C@H]2CCSc3ccc(F)cc32)c(C(C)C)nn1C ZINC000065474787 564106200 /nfs/dbraw/zinc/10/62/00/564106200.db2.gz MXDMDLQRUCTVDK-HNNXBMFYSA-N 0 0 349.475 4.018 50 0 EIAARN CN(Cc1cscn1)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000065475763 564106238 /nfs/dbraw/zinc/10/62/38/564106238.db2.gz PVHSILINKDNUJB-UHFFFAOYSA-N 0 0 336.416 4.244 50 0 EIAARN CC(=O)Nc1ccc(SCc2nc(-c3cccs3)no2)cc1 ZINC000007293656 564106566 /nfs/dbraw/zinc/10/65/66/564106566.db2.gz IXKXNGOIZXYMSX-UHFFFAOYSA-N 0 0 331.422 4.049 50 0 EIAARN Cc1ccc(-c2nc(CN3CCC(c4cn[nH]c4)CC3)co2)c(C)c1 ZINC000065513737 564106692 /nfs/dbraw/zinc/10/66/92/564106692.db2.gz WROZQWAUJDAVDF-UHFFFAOYSA-N 0 0 336.439 4.061 50 0 EIAARN CSc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cn1 ZINC000065564912 564107032 /nfs/dbraw/zinc/10/70/32/564107032.db2.gz SYAKARXMXUGOGD-UHFFFAOYSA-N 0 0 341.461 4.108 50 0 EIAARN O=C(NCCc1nc(-c2ccccc2)c[nH]1)Nc1ccccc1Cl ZINC000065565273 564107080 /nfs/dbraw/zinc/10/70/80/564107080.db2.gz YMVCFUUMCLLADI-UHFFFAOYSA-N 0 0 340.814 4.094 50 0 EIAARN CN(C(=O)Nc1ccccc1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000065548705 564107349 /nfs/dbraw/zinc/10/73/49/564107349.db2.gz YYDYDAXQJFPBBU-LJQANCHMSA-N 0 0 335.382 4.474 50 0 EIAARN CCc1nc2cc(NC(=O)c3ccc(N4CCC(C)=N4)cc3)ccc2o1 ZINC000065567578 564107698 /nfs/dbraw/zinc/10/76/98/564107698.db2.gz NDZSCCCRSPKMER-UHFFFAOYSA-N 0 0 348.406 4.229 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)c(Cl)c1 ZINC000007403975 564107924 /nfs/dbraw/zinc/10/79/24/564107924.db2.gz YHRLJVFNUPCEDU-UHFFFAOYSA-N 0 0 334.199 4.242 50 0 EIAARN CCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000007405598 564107961 /nfs/dbraw/zinc/10/79/61/564107961.db2.gz URZNCERUHUNTRE-UHFFFAOYSA-N 0 0 327.808 4.232 50 0 EIAARN Cc1nc(C)c(C(=O)Nc2ccc(Sc3nncs3)cc2)s1 ZINC000065609173 564108247 /nfs/dbraw/zinc/10/82/47/564108247.db2.gz QHGTVHHWTQVWIS-UHFFFAOYSA-N 0 0 348.478 4.015 50 0 EIAARN C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)c(Cl)c1 ZINC000065611431 564108317 /nfs/dbraw/zinc/10/83/17/564108317.db2.gz GUWZZDYXNPBGSQ-NSHDSACASA-N 0 0 349.789 4.131 50 0 EIAARN COc1cccc2cc([C@@H](C)Nc3cccc(C[S@@](C)=O)c3)oc21 ZINC000170592776 564108886 /nfs/dbraw/zinc/10/88/86/564108886.db2.gz JHZINDINNQXVGC-YEBMWUKDSA-N 0 0 343.448 4.493 50 0 EIAARN C[S@](=O)c1cccc(N[C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000170594423 564109033 /nfs/dbraw/zinc/10/90/33/564109033.db2.gz LYCQSKLLUKYIPA-CYFREDJKSA-N 0 0 340.423 4.160 50 0 EIAARN Cc1nc2ccccc2n1CCCNc1nc2ccccc2nc1C ZINC000170594789 564109072 /nfs/dbraw/zinc/10/90/72/564109072.db2.gz IDQPYTWNGXNMAS-UHFFFAOYSA-N 0 0 331.423 4.099 50 0 EIAARN O=C(Nc1ccc(OC2CCCC2)cc1)c1coc(CC2CC2)n1 ZINC000170597800 564109156 /nfs/dbraw/zinc/10/91/56/564109156.db2.gz NVQBOPABXYWMAH-UHFFFAOYSA-N 0 0 326.396 4.201 50 0 EIAARN C[C@@H](NC(=O)c1snnc1C(C)(C)C)c1cc2ccccc2o1 ZINC000170607866 564109641 /nfs/dbraw/zinc/10/96/41/564109641.db2.gz GWYWZQMDUIZNHP-SNVBAGLBSA-N 0 0 329.425 4.073 50 0 EIAARN O=C(N[C@@H]1CCCc2c(O)cccc21)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000170611450 564109809 /nfs/dbraw/zinc/10/98/09/564109809.db2.gz YEAYVLYAQSNVAZ-JFIYKMOQSA-N 0 0 341.838 4.343 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)N(CC)CC)cc1C(C)C ZINC000170615114 564110025 /nfs/dbraw/zinc/11/00/25/564110025.db2.gz ZANCLDLRMBIGHR-UHFFFAOYSA-N 0 0 327.490 4.019 50 0 EIAARN O=C(C[C@@H]1OCCc2ccsc21)OCCCCOc1ccccc1 ZINC000170621935 564110235 /nfs/dbraw/zinc/11/02/35/564110235.db2.gz LKBFYPNECRGHLS-KRWDZBQOSA-N 0 0 346.448 4.154 50 0 EIAARN Cc1cccnc1[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C ZINC000170628796 564110490 /nfs/dbraw/zinc/11/04/90/564110490.db2.gz YVVSNTFLDLMVRX-IGDKPHCXSA-N 0 0 341.499 4.355 50 0 EIAARN CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cccc2cn[nH]c21 ZINC000170626370 564110501 /nfs/dbraw/zinc/11/05/01/564110501.db2.gz SBVRFFIUAPOONT-UHFFFAOYSA-N 0 0 327.815 4.267 50 0 EIAARN Cc1cc([C@@H](C)NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c(C)o1 ZINC000170626228 564110509 /nfs/dbraw/zinc/11/05/09/564110509.db2.gz LPNDDJDNFPDNOA-GFCCVEGCSA-N 0 0 347.846 4.036 50 0 EIAARN Cc1cccc2c1ccn2CC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000071286944 564110913 /nfs/dbraw/zinc/11/09/13/564110913.db2.gz HETIOGDGUPZEMX-UHFFFAOYSA-N 0 0 348.431 4.107 50 0 EIAARN CC(C)c1csc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)n1 ZINC000071794712 564111148 /nfs/dbraw/zinc/11/11/48/564111148.db2.gz YRPZAGJZCFBYEH-UHFFFAOYSA-N 0 0 344.415 4.058 50 0 EIAARN Cc1sc(NC(=O)c2ccsc2)c(C(N)=O)c1-c1ccccc1 ZINC000071854175 564111365 /nfs/dbraw/zinc/11/13/65/564111365.db2.gz 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/nfs/dbraw/zinc/11/54/95/564115495.db2.gz JSXDLQLJINFWEM-IINYFYTJSA-N 0 0 349.481 4.076 50 0 EIAARN CCC[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3cccnc3)sc2C1 ZINC000089950015 564115842 /nfs/dbraw/zinc/11/58/42/564115842.db2.gz UJUNZKSXDGBDCI-YUELXQCFSA-N 0 0 341.480 4.185 50 0 EIAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1=CCCC1 ZINC000089958963 564115862 /nfs/dbraw/zinc/11/58/62/564115862.db2.gz GXQOYCIDXYRMJE-UHFFFAOYSA-N 0 0 345.830 4.239 50 0 EIAARN COC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000017193756 564116633 /nfs/dbraw/zinc/11/66/33/564116633.db2.gz JGDURXGQAQNKCQ-VIPLHTEESA-N 0 0 328.408 4.257 50 0 EIAARN CCOC(=O)c1c(C)nc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000000468107 564116711 /nfs/dbraw/zinc/11/67/11/564116711.db2.gz JCRHWSGEFFZRMM-UHFFFAOYSA-N 0 0 327.277 4.392 50 0 EIAARN CCCCN(C)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017270209 564116861 /nfs/dbraw/zinc/11/68/61/564116861.db2.gz WRQOCIHHJLPGNF-UHFFFAOYSA-N 0 0 329.835 4.014 50 0 EIAARN Cc1cccc2c(C)cc(SCC(=O)NCc3ccccc3)nc12 ZINC000002872310 564117080 /nfs/dbraw/zinc/11/70/80/564117080.db2.gz KUWUPFKPCPWPBS-UHFFFAOYSA-N 0 0 336.460 4.260 50 0 EIAARN O=C1c2ccccc2C(=O)N1CCOc1ccccc1-c1ccccc1 ZINC000002875855 564117091 /nfs/dbraw/zinc/11/70/91/564117091.db2.gz HMUKJDIGAWITKJ-UHFFFAOYSA-N 0 0 343.382 4.029 50 0 EIAARN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C12CCCC2 ZINC000170637047 564117374 /nfs/dbraw/zinc/11/73/74/564117374.db2.gz QMAJNZKPUZRPQY-STQMWFEESA-N 0 0 345.270 4.131 50 0 EIAARN CN(C)c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000170637472 564117407 /nfs/dbraw/zinc/11/74/07/564117407.db2.gz LVAAWWYKLOMOOV-IAGOWNOFSA-N 0 0 329.831 4.084 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000170638174 564117483 /nfs/dbraw/zinc/11/74/83/564117483.db2.gz KXLYYJSGANPOQI-ZKLCHKPXSA-N 0 0 336.520 4.094 50 0 EIAARN Cc1ccc2c(CC(=O)Nc3ccc4c(c3)OCCO4)coc2c1C ZINC000007598629 564117546 /nfs/dbraw/zinc/11/75/46/564117546.db2.gz 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/nfs/dbraw/zinc/11/92/06/564119206.db2.gz CVHMUVKGTHNSBY-GFCCVEGCSA-N 0 0 330.815 4.098 50 0 EIAARN C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)CCC(F)(F)F ZINC000252481211 564119213 /nfs/dbraw/zinc/11/92/13/564119213.db2.gz CIMLFMCIULDKCD-PPRQPISWSA-N 0 0 334.281 4.347 50 0 EIAARN O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000252488438 564119416 /nfs/dbraw/zinc/11/94/16/564119416.db2.gz IRVBVQLGWHHDQI-CYBMUJFWSA-N 0 0 349.308 4.110 50 0 EIAARN CN(C(=O)c1ccc2ncoc2c1)c1nc2ccc(Cl)cc2s1 ZINC000252488757 564119427 /nfs/dbraw/zinc/11/94/27/564119427.db2.gz IYDDIGOGIXRTDD-UHFFFAOYSA-N 0 0 343.795 4.368 50 0 EIAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(C)c1)CO3 ZINC000002160408 564120197 /nfs/dbraw/zinc/12/01/97/564120197.db2.gz PPOKVUNTZLEQFX-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN Cc1nnc(SCC(=O)Nc2c(C)cccc2C(C)C)n1C1CC1 ZINC000007617303 564121029 /nfs/dbraw/zinc/12/10/29/564121029.db2.gz IYQMRXTXFMAMPX-UHFFFAOYSA-N 0 0 344.484 4.084 50 0 EIAARN COCCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CCCC1 ZINC000065817577 564121326 /nfs/dbraw/zinc/12/13/26/564121326.db2.gz GBTDAESPCRBVLN-UHFFFAOYSA-N 0 0 340.467 4.078 50 0 EIAARN Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(C(F)(F)F)nc2n1 ZINC000007636162 564121367 /nfs/dbraw/zinc/12/13/67/564121367.db2.gz VLUCXPDTWDLJRX-UHFFFAOYSA-N 0 0 341.724 4.157 50 0 EIAARN C[C@H](c1ccc(Cl)cc1)[S@@](=O)Cc1nnc(C2CC2)n1C1CC1 ZINC000194543649 564121635 /nfs/dbraw/zinc/12/16/35/564121635.db2.gz MWTCUXROCHDMAR-BGJPBQGDSA-N 0 0 349.887 4.154 50 0 EIAARN C[C@H](Sc1n[nH]c(-c2ccccc2O)n1)c1nc2ccccc2o1 ZINC000194589059 564121676 /nfs/dbraw/zinc/12/16/76/564121676.db2.gz KRNXJWZFKUXSJQ-JTQLQIEISA-N 0 0 338.392 4.172 50 0 EIAARN COc1cc(NC(=O)c2ccc3c(c2)CCC3)c(OC)cc1Cl ZINC000007719420 564122221 /nfs/dbraw/zinc/12/22/21/564122221.db2.gz RRFUYSOHDNTXNF-UHFFFAOYSA-N 0 0 331.799 4.098 50 0 EIAARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)on1 ZINC000194963261 564122653 /nfs/dbraw/zinc/12/26/53/564122653.db2.gz MIRRQMWWTHDMOG-UHFFFAOYSA-N 0 0 349.106 4.017 50 0 EIAARN CN(Cc1cccc(Cl)c1Cl)C(=O)CCc1cscn1 ZINC000195060958 564122736 /nfs/dbraw/zinc/12/27/36/564122736.db2.gz ZQYBLYXBMORKME-UHFFFAOYSA-N 0 0 329.252 4.041 50 0 EIAARN Cc1nc(CSc2nnc(-c3cccs3)n2C2CC2)cs1 ZINC000007763666 564122868 /nfs/dbraw/zinc/12/28/68/564122868.db2.gz XYLZRFSIYACNKW-UHFFFAOYSA-N 0 0 334.495 4.399 50 0 EIAARN COc1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 ZINC000007781135 564123237 /nfs/dbraw/zinc/12/32/37/564123237.db2.gz VJQIDRGIMSTTHL-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c(s1)CCC2 ZINC000007842993 564124172 /nfs/dbraw/zinc/12/41/72/564124172.db2.gz DTZPNHHJHBFKKU-UHFFFAOYSA-N 0 0 327.327 4.388 50 0 EIAARN Cc1occc1C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000007848059 564124215 /nfs/dbraw/zinc/12/42/15/564124215.db2.gz ARGHOTLEEIMLHZ-VIFPVBQESA-N 0 0 342.178 4.079 50 0 EIAARN CCOc1ccc([C@@H]2CCCN2c2ncnc3sccc32)cc1 ZINC000007903464 564125006 /nfs/dbraw/zinc/12/50/06/564125006.db2.gz UFZQGXLEROCNAJ-INIZCTEOSA-N 0 0 325.437 4.432 50 0 EIAARN CCSc1nnc(NC(=O)c2cc3ccccc3cc2OC)s1 ZINC000003517119 564125062 /nfs/dbraw/zinc/12/50/62/564125062.db2.gz KYMYRAKJXRJGTK-UHFFFAOYSA-N 0 0 345.449 4.064 50 0 EIAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(F)cc1 ZINC000007922047 564125487 /nfs/dbraw/zinc/12/54/87/564125487.db2.gz PIRWVSCTYYESAY-GFCCVEGCSA-N 0 0 343.427 4.067 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000007924800 564125505 /nfs/dbraw/zinc/12/55/05/564125505.db2.gz DYMXGJNZKXSFSE-SNVBAGLBSA-N 0 0 341.304 4.344 50 0 EIAARN c1cncc([C@@H]2CCCCN2CN2CCCC[C@H]2c2cccnc2)c1 ZINC000019321971 564129055 /nfs/dbraw/zinc/12/90/55/564129055.db2.gz KFIPVCUMEJOXQF-SFTDATJTSA-N 0 0 336.483 4.188 50 0 biogenic EIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccoc1 ZINC000019910106 564129076 /nfs/dbraw/zinc/12/90/76/564129076.db2.gz WKNHHRICJQBHLF-UHFFFAOYSA-N 0 0 341.388 4.437 50 0 EIAARN Nc1nc2ccc(Sc3ccc4nc(N)sc4c3)cc2s1 ZINC000019911165 564129088 /nfs/dbraw/zinc/12/90/88/564129088.db2.gz DHTQJSXOSVZGJU-UHFFFAOYSA-N 0 0 330.463 4.222 50 0 EIAARN CCN(Cc1ccccc1)C(=O)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000253417352 564130803 /nfs/dbraw/zinc/13/08/03/564130803.db2.gz ZQRITCWEIXBLEF-LJQANCHMSA-N 0 0 342.870 4.136 50 0 EIAARN Clc1cccc([C@H](NCc2nnc3n2CCCC3)C2CCCC2)c1 ZINC000253418057 564130877 /nfs/dbraw/zinc/13/08/77/564130877.db2.gz HYTJCHNDOCSCBL-LJQANCHMSA-N 0 0 344.890 4.289 50 0 EIAARN O=S(=O)(Nc1cc(Cc2ccccc2)ccc1O)C1=CCCCC1 ZINC000253426407 564131146 /nfs/dbraw/zinc/13/11/46/564131146.db2.gz ZUSGACYAVPQPOV-UHFFFAOYSA-N 0 0 343.448 4.183 50 0 EIAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(N3CCC3=O)cc2)c1 ZINC000253426521 564131173 /nfs/dbraw/zinc/13/11/73/564131173.db2.gz HHUCYDCDTDTMMF-LJQANCHMSA-N 0 0 349.434 4.101 50 0 EIAARN CO[C@]1(C)CCCN(C(=O)Nc2sc(C)nc2CC(C)C)CC1 ZINC000253428358 564131295 /nfs/dbraw/zinc/13/12/95/564131295.db2.gz AEETUUKCCDQHQP-QGZVFWFLSA-N 0 0 339.505 4.073 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253498603 564132707 /nfs/dbraw/zinc/13/27/07/564132707.db2.gz WGYHVQYXJNPQAA-GFYMANACSA-N 0 0 332.484 4.099 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@]43C)OCCO5)[C@H]1CCC2=O ZINC000253500749 564132816 /nfs/dbraw/zinc/13/28/16/564132816.db2.gz USGKSIJYOHEDEV-GNVJSZRZSA-N 0 0 330.468 4.261 50 0 EIAARN CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002402424 564134590 /nfs/dbraw/zinc/13/45/90/564134590.db2.gz IIKINWIMWHBMDZ-INIZCTEOSA-N 0 0 339.778 4.012 50 0 EIAARN CCCCCOc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000027822590 564134792 /nfs/dbraw/zinc/13/47/92/564134792.db2.gz ONIQRRDQRFCWGG-UHFFFAOYSA-N 0 0 345.892 4.084 50 0 EIAARN C[C@H](OC(=O)C=Cc1cccc2cccnc12)C(=O)c1ccc(F)cc1 ZINC000012823944 564135627 /nfs/dbraw/zinc/13/56/27/564135627.db2.gz ZCUJSFIHFBQBFV-TZIYXEQSSA-N 0 0 349.361 4.202 50 0 EIAARN Cc1nc(NC(=O)c2ccsc2)sc1-c1nccn1C(F)F ZINC000012824423 564135637 /nfs/dbraw/zinc/13/56/37/564135637.db2.gz FISFVCFIVBKDIV-UHFFFAOYSA-N 0 0 340.380 4.024 50 0 EIAARN CSc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013038328 564135962 /nfs/dbraw/zinc/13/59/62/564135962.db2.gz PKXMRSYOIZKDLQ-UHFFFAOYSA-N 0 0 334.872 4.132 50 0 EIAARN C[C@@H]1C[C@H](C)CN(c2nnc(Cc3ccncc3)c3ccccc32)C1 ZINC000013368675 564136331 /nfs/dbraw/zinc/13/63/31/564136331.db2.gz NXYDHDASUBTSDH-IYBDPMFKSA-N 0 0 332.451 4.098 50 0 EIAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)C(C)C ZINC000013369969 564136339 /nfs/dbraw/zinc/13/63/39/564136339.db2.gz KDNXFJZNFHKFOC-CVEARBPZSA-N 0 0 344.503 4.061 50 0 biogenic EIAARN CC(C)C[C@@H](CCO)CNC(=O)c1ccccc1Cc1ccccc1 ZINC000078998297 564137541 /nfs/dbraw/zinc/13/75/41/564137541.db2.gz GPKPYDYAFZQEHP-LJQANCHMSA-N 0 0 339.479 4.052 50 0 EIAARN CC(C)C[C@H](CCO)CNC(=O)c1ccccc1Cc1ccccc1 ZINC000078998301 564137556 /nfs/dbraw/zinc/13/75/56/564137556.db2.gz GPKPYDYAFZQEHP-IBGZPJMESA-N 0 0 339.479 4.052 50 0 EIAARN Cc1ccc(O)c(CNc2cc(C(C)(C)C)nn2-c2ccccc2)n1 ZINC000079073323 564137835 /nfs/dbraw/zinc/13/78/35/564137835.db2.gz ODQSOEVOTVAOOP-UHFFFAOYSA-N 0 0 336.439 4.191 50 0 EIAARN CSc1ncccc1C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000079093665 564137858 /nfs/dbraw/zinc/13/78/58/564137858.db2.gz YKENAGPXIDBUMK-UHFFFAOYSA-N 0 0 342.439 4.262 50 0 EIAARN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000079103226 564137885 /nfs/dbraw/zinc/13/78/85/564137885.db2.gz UYBWHBHVIAGPAK-MEDUHNTESA-N 0 0 338.234 4.235 50 0 EIAARN CCCC1(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCC1 ZINC000079104700 564137898 /nfs/dbraw/zinc/13/78/98/564137898.db2.gz JWQICCDGVNQSII-ZDUSSCGKSA-N 0 0 330.255 4.113 50 0 EIAARN CCCC1(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCC1 ZINC000079104708 564137921 /nfs/dbraw/zinc/13/79/21/564137921.db2.gz JWQICCDGVNQSII-CYBMUJFWSA-N 0 0 330.255 4.113 50 0 EIAARN O=C(NCCc1ccc(-c2ccoc2)s1)c1ccc(F)c(F)c1 ZINC000390830295 564138644 /nfs/dbraw/zinc/13/86/44/564138644.db2.gz KAOROSPSTZCATO-UHFFFAOYSA-N 0 0 333.359 4.259 50 0 EIAARN CN(C)c1cccc(C(=O)N2CCCC[C@H]2CSC(C)(C)C)c1 ZINC000390831016 564138678 /nfs/dbraw/zinc/13/86/78/564138678.db2.gz PCNFEQHOUCVGSU-KRWDZBQOSA-N 0 0 334.529 4.279 50 0 EIAARN COc1ccc2cc(C(=O)NCCCc3cc4ccccc4o3)[nH]c2c1 ZINC000390832443 564138695 /nfs/dbraw/zinc/13/86/95/564138695.db2.gz ZMKQKXMVVXDTQV-UHFFFAOYSA-N 0 0 348.402 4.285 50 0 EIAARN Fc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)nc1 ZINC000390833189 564138740 /nfs/dbraw/zinc/13/87/40/564138740.db2.gz DGEDJEREOSASHC-IBGZPJMESA-N 0 0 341.817 4.343 50 0 EIAARN CC(=O)c1csc(C(=O)N(Cc2cscn2)c2ccccc2)c1 ZINC000390833411 564138772 /nfs/dbraw/zinc/13/87/72/564138772.db2.gz HCKYQOYLQNYMOV-UHFFFAOYSA-N 0 0 342.445 4.254 50 0 EIAARN O=C(Cc1cccc(C(F)F)c1)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000390834017 564138852 /nfs/dbraw/zinc/13/88/52/564138852.db2.gz QIZAMQYAHYECIH-UHFFFAOYSA-N 0 0 327.334 4.196 50 0 EIAARN CC(C)n1nccc1NC(=O)CN(Cc1ccccc1)c1ccccc1 ZINC000095422594 564140081 /nfs/dbraw/zinc/14/00/81/564140081.db2.gz BWKZMUZIFRTHAB-UHFFFAOYSA-N 0 0 348.450 4.109 50 0 EIAARN C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000095431338 564140359 /nfs/dbraw/zinc/14/03/59/564140359.db2.gz GZPZLIGQTUSICN-HZPDHXFCSA-N 0 0 340.423 4.104 50 0 EIAARN c1c[nH]c(-c2cccc(CNc3ncnc4c5ccccc5oc43)c2)n1 ZINC000095460522 564140797 /nfs/dbraw/zinc/14/07/97/564140797.db2.gz ISPKJVMZRDZFAC-UHFFFAOYSA-N 0 0 341.374 4.378 50 0 EIAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC1CCCCC1 ZINC000095464587 564140979 /nfs/dbraw/zinc/14/09/79/564140979.db2.gz OLDZQKUGWYTXNK-IBGZPJMESA-N 0 0 325.456 4.300 50 0 EIAARN Cc1ccc2[nH]c([C@@H]3CCCN(c4cc(Cl)nc(C)n4)C3)nc2c1 ZINC000095469174 564141185 /nfs/dbraw/zinc/14/11/85/564141185.db2.gz BJSKCAGPAGDFTJ-CYBMUJFWSA-N 0 0 341.846 4.007 50 0 EIAARN Cc1ccc2[nH]c([C@H]3CCCN(c4cc(Cl)nc(C)n4)C3)nc2c1 ZINC000095469175 564141196 /nfs/dbraw/zinc/14/11/96/564141196.db2.gz BJSKCAGPAGDFTJ-ZDUSSCGKSA-N 0 0 341.846 4.007 50 0 EIAARN COc1cc(Br)ccc1NC(=O)CCc1ccccc1 ZINC000095471446 564141255 /nfs/dbraw/zinc/14/12/55/564141255.db2.gz OAWWCBBSJUZXOT-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN CC(C)c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000095472342 564141275 /nfs/dbraw/zinc/14/12/75/564141275.db2.gz AMQXHKIDOSKESL-INIZCTEOSA-N 0 0 345.468 4.305 50 0 EIAARN Cc1nc(C(C)C)c(-c2nn3c(nnc3-c3ccccc3)s2)s1 ZINC000095473315 564141326 /nfs/dbraw/zinc/14/13/26/564141326.db2.gz DMNSTDPYOOWTAP-UHFFFAOYSA-N 0 0 341.465 4.408 50 0 EIAARN COCCn1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 ZINC000095479624 564141577 /nfs/dbraw/zinc/14/15/77/564141577.db2.gz VNWFZFVARFCISU-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 EIAARN COCc1ccc([C@H]2CCCN2C(=O)NC[C@H](C)c2ccsc2)o1 ZINC000095944856 564142153 /nfs/dbraw/zinc/14/21/53/564142153.db2.gz IDQAUDYJPYIWOY-XJKSGUPXSA-N 0 0 348.468 4.138 50 0 EIAARN CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2-c2cn[nH]c2)C1 ZINC000095945360 564142166 /nfs/dbraw/zinc/14/21/66/564142166.db2.gz KUWRCJSXWBWPDI-HUUCEWRRSA-N 0 0 344.484 4.263 50 0 EIAARN Cc1cccc(C[S@@](=O)C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000095946410 564142223 /nfs/dbraw/zinc/14/22/23/564142223.db2.gz NIIWFFALYVEZLF-IERDGZPVSA-N 0 0 343.275 4.284 50 0 EIAARN Cc1ccc([C@@H](NC(=O)c2ccc3nc4n(c3c2)CCC4)C2CC2)cc1 ZINC000095950353 564142342 /nfs/dbraw/zinc/14/23/42/564142342.db2.gz MLOSJULWXSXHFJ-OAQYLSRUSA-N 0 0 345.446 4.172 50 0 EIAARN COc1ccc([C@@H](NCc2c(C)noc2C)c2ccc(C)cc2)cc1 ZINC000095955438 564142499 /nfs/dbraw/zinc/14/24/99/564142499.db2.gz VQZRZYRMGSMGMY-NRFANRHFSA-N 0 0 336.435 4.488 50 0 EIAARN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccncc1 ZINC000095996764 564144281 /nfs/dbraw/zinc/14/42/81/564144281.db2.gz QCVZSLMNKQAJBH-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN CC(C)(C)c1nc(CNc2nnc(-c3ccc(F)cc3)o2)cs1 ZINC000096003729 564144429 /nfs/dbraw/zinc/14/44/29/564144429.db2.gz MTBWGAHLLRGPQN-UHFFFAOYSA-N 0 0 332.404 4.242 50 0 EIAARN O=C([C@H]1C[C@@H]1c1cccc(Br)c1)N1CC2(C1)CCCCC2 ZINC000096003918 564144491 /nfs/dbraw/zinc/14/44/91/564144491.db2.gz YGIUAPIWZPYFTJ-CVEARBPZSA-N 0 0 348.284 4.345 50 0 EIAARN CCc1nnc([C@H](C)N[C@H](C)c2oc3ccc(OC)cc3c2C)o1 ZINC000096014091 564144829 /nfs/dbraw/zinc/14/48/29/564144829.db2.gz IHYNLKUXOTZSAR-NEPJUHHUSA-N 0 0 329.400 4.107 50 0 EIAARN O=C(NC1CCCCC1)N(Cc1cnc2ccccn12)c1ccccc1 ZINC000096103002 564145271 /nfs/dbraw/zinc/14/52/71/564145271.db2.gz OGXHAMYRGSZDIL-UHFFFAOYSA-N 0 0 348.450 4.383 50 0 EIAARN CO[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccc(C)s1 ZINC000096104711 564145339 /nfs/dbraw/zinc/14/53/39/564145339.db2.gz MZLQJHJCDBLPND-ZDUSSCGKSA-N 0 0 343.370 4.193 50 0 EIAARN C/C=C\c1ccc(OCC(=O)Nc2cc(C)ccc2F)c(OC)c1 ZINC000096117666 564145474 /nfs/dbraw/zinc/14/54/74/564145474.db2.gz WXDGZLWVUUKEAB-PLNGDYQASA-N 0 0 329.371 4.193 50 0 EIAARN CC[C@@](CNC(=O)Nc1ccc(C)c(C)c1)(OC)c1ccccc1 ZINC000096123820 564145664 /nfs/dbraw/zinc/14/56/64/564145664.db2.gz ZSZJIIPIGCDNQU-FQEVSTJZSA-N 0 0 326.440 4.377 50 0 EIAARN CC(=C\c1ccccc1)/C=C1/N=C(c2cc(F)cc(F)c2)OC1=O ZINC000096133940 564145769 /nfs/dbraw/zinc/14/57/69/564145769.db2.gz MUQJMCCUXTZAJF-RZKYTRJLSA-N 0 0 325.314 4.256 50 0 EIAARN Cc1nnc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)s1 ZINC000096183810 564145857 /nfs/dbraw/zinc/14/58/57/564145857.db2.gz PWUPJGIWJPWRLH-UHFFFAOYSA-N 0 0 335.772 4.138 50 0 EIAARN CSc1ccccc1[C@@H](C)NC(=O)Nc1cn(C)nc1C(C)C ZINC000282018996 564145921 /nfs/dbraw/zinc/14/59/21/564145921.db2.gz JHQDKYPWMFOGOO-GFCCVEGCSA-N 0 0 332.473 4.148 50 0 EIAARN Oc1cccc2ccc(/C=C\c3cc4c(c(Cl)c3)OCO4)nc12 ZINC000096248566 564146117 /nfs/dbraw/zinc/14/61/17/564146117.db2.gz ZMPPKBUHCRWEHX-XQRVVYSFSA-N 0 0 325.751 4.493 50 0 EIAARN CCn1c(C(=O)Nc2ccccc2)cc2cc(NC(=O)C3CC3)ccc21 ZINC000096276466 564146266 /nfs/dbraw/zinc/14/62/66/564146266.db2.gz JIASAFOIUALDAM-UHFFFAOYSA-N 0 0 347.418 4.262 50 0 EIAARN Cc1cccc(-c2noc([C@@H](NC(=O)C3CCCC3)C(C)C)n2)c1 ZINC000096292939 564146477 /nfs/dbraw/zinc/14/64/77/564146477.db2.gz LDBUBOCLFVIJBG-INIZCTEOSA-N 0 0 327.428 4.049 50 0 EIAARN O=C(CC[S@@](=O)C/C=C\c1ccccc1)Nc1ccccc1Cl ZINC000096295082 564146519 /nfs/dbraw/zinc/14/65/19/564146519.db2.gz CLMFGMLVHGLZHM-FBQZBAQISA-N 0 0 347.867 4.131 50 0 EIAARN CC[C@H](C)[C@@H](NC(=O)C1CCCC1)c1nc(-c2cccc(C)c2)no1 ZINC000096294239 564146529 /nfs/dbraw/zinc/14/65/29/564146529.db2.gz QZFONKIEVOEPFO-WMLDXEAASA-N 0 0 341.455 4.439 50 0 EIAARN Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)/C=C\c1ccncc1 ZINC000096295340 564146541 /nfs/dbraw/zinc/14/65/41/564146541.db2.gz MBNYVBBDUQIFSO-YFHOEESVSA-N 0 0 344.418 4.105 50 0 EIAARN O=C(/C=C\c1ccccn1)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000096295280 564146543 /nfs/dbraw/zinc/14/65/43/564146543.db2.gz NYEWQQRXBXWDSS-AHKFDXCISA-N 0 0 347.418 4.028 50 0 EIAARN Cc1nn(-c2ccccc2)c2c1[C@H]1c3ccccc3OC[C@]1(C)CO2 ZINC000096306226 564146642 /nfs/dbraw/zinc/14/66/42/564146642.db2.gz SYRZSOPNMJQENZ-TZIWHRDSSA-N 0 0 332.403 4.104 50 0 EIAARN CO[C@@](C)(CNC(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000096392419 564147025 /nfs/dbraw/zinc/14/70/25/564147025.db2.gz HBBZORWYWUSSHV-HNNXBMFYSA-N 0 0 344.263 4.347 50 0 EIAARN CC(C)COc1ccc(C(C)(C)NCc2nnc(C3CCC3)o2)cc1 ZINC000096410329 564147600 /nfs/dbraw/zinc/14/76/00/564147600.db2.gz 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/nfs/dbraw/zinc/14/91/23/564149123.db2.gz KLHNYAHXMQAMJR-FQEVSTJZSA-N 0 0 340.373 4.248 50 0 EIAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(CC)cc3)n3ncnc3N2)cc1 ZINC000002471910 564149697 /nfs/dbraw/zinc/14/96/97/564149697.db2.gz WHILZYUYLDKTBG-VQTJNVASSA-N 0 0 348.450 4.386 50 0 EIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000028043321 564150173 /nfs/dbraw/zinc/15/01/73/564150173.db2.gz VYBSPEXXBNSDGV-QGZVFWFLSA-N 0 0 335.856 4.174 50 0 EIAARN COc1cc(CNc2ccccc2OCc2cscn2)ccc1O ZINC000225669384 564150196 /nfs/dbraw/zinc/15/01/96/564150196.db2.gz BUULSZMLIRKGPD-UHFFFAOYSA-N 0 0 342.420 4.048 50 0 EIAARN O=C(NC[C@@H](O)c1csc2ccccc21)c1cc2ccccc2o1 ZINC000225692297 564150303 /nfs/dbraw/zinc/15/03/03/564150303.db2.gz YJNMUPQTNPAMMZ-OAHLLOKOSA-N 0 0 337.400 4.111 50 0 EIAARN CC(C)N=c1ccccn1C(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000254594120 564150392 /nfs/dbraw/zinc/15/03/92/564150392.db2.gz XSGHGXUIQCDGGP-SOTYCNPWSA-N 0 0 335.234 4.458 50 0 EIAARN CC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc3c2CN(C)C3)c1 ZINC000225746605 564150430 /nfs/dbraw/zinc/15/04/30/564150430.db2.gz SVTYXZCFNRGOQM-OAHLLOKOSA-N 0 0 338.451 4.161 50 0 EIAARN CC1(C)C[C@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)CCO1 ZINC000028294391 564150965 /nfs/dbraw/zinc/15/09/65/564150965.db2.gz FDUJMCVEJKQBHO-MRXNPFEDSA-N 0 0 337.419 4.061 50 0 EIAARN CN(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)C1CCCCC1 ZINC000002622683 564151258 /nfs/dbraw/zinc/15/12/58/564151258.db2.gz IYDRTWYDESGLQQ-UHFFFAOYSA-N 0 0 337.876 4.100 50 0 EIAARN COc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1OC(F)F ZINC000002634815 564151533 /nfs/dbraw/zinc/15/15/33/564151533.db2.gz LLPHYFDAUBHIAQ-UHFFFAOYSA-N 0 0 345.704 4.341 50 0 EIAARN COc1ccc(Nc2nc3ccccc3c(N3CCCCC3)n2)cc1 ZINC000002633445 564151543 /nfs/dbraw/zinc/15/15/43/564151543.db2.gz YJXVBAMNAUTWBU-UHFFFAOYSA-N 0 0 334.423 4.372 50 0 EIAARN OCc1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000002644782 564151759 /nfs/dbraw/zinc/15/17/59/564151759.db2.gz WPOJNVXFWDBBKH-UHFFFAOYSA-N 0 0 326.343 4.007 50 0 EIAARN COc1ccc(CCC(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000002657460 564152002 /nfs/dbraw/zinc/15/20/02/564152002.db2.gz GOTMHSXUWSHJKA-UHFFFAOYSA-N 0 0 330.384 4.015 50 0 EIAARN O=C(NCCSc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000002721022 564152231 /nfs/dbraw/zinc/15/22/31/564152231.db2.gz XTIGEMKJZGDAFS-UHFFFAOYSA-N 0 0 330.840 4.343 50 0 EIAARN CCCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 ZINC000002721495 564152267 /nfs/dbraw/zinc/15/22/67/564152267.db2.gz QOZCYMIUZSCGEY-UHFFFAOYSA-N 0 0 335.451 4.199 50 0 EIAARN Cc1cc(NC(=O)c2ccc(COc3c(C)cccc3C)o2)no1 ZINC000002786943 564152614 /nfs/dbraw/zinc/15/26/14/564152614.db2.gz WXJICZKHMPZWSL-UHFFFAOYSA-N 0 0 326.352 4.024 50 0 EIAARN CCOc1cc(C(=O)Nc2ccc(F)cc2C)ccc1OC(F)F ZINC000002797084 564152720 /nfs/dbraw/zinc/15/27/20/564152720.db2.gz OHCLLEDJOUCZOD-UHFFFAOYSA-N 0 0 339.313 4.387 50 0 EIAARN Cc1ccccc1Cn1cc(NC(=S)N[C@H]2CCCC[C@H]2C)cn1 ZINC000002799318 564152734 /nfs/dbraw/zinc/15/27/34/564152734.db2.gz DKHVMMHKFIWGCP-QAPCUYQASA-N 0 0 342.512 4.105 50 0 EIAARN Cc1sc(NCc2ccccc2)nc1-c1ccc2c(c1)CC(=O)N2C ZINC000162418367 564152863 /nfs/dbraw/zinc/15/28/63/564152863.db2.gz BZZKFMXEAAQDBI-UHFFFAOYSA-N 0 0 349.459 4.250 50 0 EIAARN Cc1c(C(=O)N[C@H](c2ccccc2)C2CC2)cnn1-c1cccc(C)c1 ZINC000029646480 564153731 /nfs/dbraw/zinc/15/37/31/564153731.db2.gz LTJOYMVHUXXDQX-OAQYLSRUSA-N 0 0 345.446 4.370 50 0 EIAARN CN(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000057412070 564153995 /nfs/dbraw/zinc/15/39/95/564153995.db2.gz LYWSBNDWCYEWCT-UHFFFAOYSA-N 0 0 340.814 4.048 50 0 EIAARN COCCN(C(=S)Nc1ccccc1Cl)[C@@H](C)c1ccco1 ZINC000003050452 564154702 /nfs/dbraw/zinc/15/47/02/564154702.db2.gz PCGCAAYZEPEKQB-LBPRGKRZSA-N 0 0 338.860 4.339 50 0 EIAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](O)c1ccncc1 ZINC000003063502 564154902 /nfs/dbraw/zinc/15/49/02/564154902.db2.gz IOXPMDDEAPUIQK-SFHVURJKSA-N 0 0 341.303 4.424 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)C(F)(F)Oc1ccc(F)cc1 ZINC000003117012 564155240 /nfs/dbraw/zinc/15/52/40/564155240.db2.gz BEAXSVVZMVLRIC-UHFFFAOYSA-N 0 0 349.230 4.455 50 0 EIAARN FC(F)Oc1ccc(Cl)cc1COc1ncnc2ccccc21 ZINC000003233822 564156383 /nfs/dbraw/zinc/15/63/83/564156383.db2.gz ZYIATWORTFCBEC-UHFFFAOYSA-N 0 0 336.725 4.464 50 0 EIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1C[C@H]1C ZINC000003237945 564156431 /nfs/dbraw/zinc/15/64/31/564156431.db2.gz QCIJAURBVFWLQS-DGCLKSJQSA-N 0 0 329.421 4.186 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000003237098 564156448 /nfs/dbraw/zinc/15/64/48/564156448.db2.gz ZAKLNOFSEJURKD-GOSISDBHSA-N 0 0 339.435 4.287 50 0 EIAARN Cc1noc(C)c1COC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000003247440 564156556 /nfs/dbraw/zinc/15/65/56/564156556.db2.gz HOEQCMHPDLIIMA-UHFFFAOYSA-N 0 0 337.375 4.081 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2ccc3ccccc3c2)nc1C ZINC000003287495 564157026 /nfs/dbraw/zinc/15/70/26/564157026.db2.gz SOOWMGKXTIYILY-UHFFFAOYSA-N 0 0 340.404 4.034 50 0 EIAARN Cc1cccc(NC(=O)NCc2cccnc2N2CCCCC2)c1C ZINC000058063422 564157360 /nfs/dbraw/zinc/15/73/60/564157360.db2.gz GXUCPYPXDXOFAI-UHFFFAOYSA-N 0 0 338.455 4.010 50 0 EIAARN CCN(C)c1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000058160109 564157875 /nfs/dbraw/zinc/15/78/75/564157875.db2.gz RRUWLZVQBKLPPI-UHFFFAOYSA-N 0 0 347.256 4.466 50 0 EIAARN Cc1ccc(C)c(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000003477196 564158337 /nfs/dbraw/zinc/15/83/37/564158337.db2.gz BJALKKHVODAGFF-UHFFFAOYSA-N 0 0 343.854 4.279 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)C1(C)C ZINC000031073690 564158669 /nfs/dbraw/zinc/15/86/69/564158669.db2.gz NUCDAUJKXVEABC-IRXDYDNUSA-N 0 0 342.483 4.392 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)OCO4)s2)o1 ZINC000031204714 564159120 /nfs/dbraw/zinc/15/91/20/564159120.db2.gz APZPXOFDDOYMIE-UHFFFAOYSA-N 0 0 342.376 4.001 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C/C=C/Cl)CC2 ZINC000058470017 564159195 /nfs/dbraw/zinc/15/91/95/564159195.db2.gz WQYVZGUFTQCEPQ-UKTKYZJWSA-N 0 0 349.883 4.465 50 0 EIAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1F ZINC000031455896 564159427 /nfs/dbraw/zinc/15/94/27/564159427.db2.gz HZAWZKGZFPNFEZ-UHFFFAOYSA-N 0 0 340.329 4.191 50 0 EIAARN CC(C)Cc1nc(CSc2ncnc3sc4c(c32)CCC4)no1 ZINC000031441714 564159429 /nfs/dbraw/zinc/15/94/29/564159429.db2.gz NSLNDIGXVRRCFL-UHFFFAOYSA-N 0 0 346.481 4.054 50 0 EIAARN CN(C)Cc1nc2ccccc2c(SCc2ccccc2F)n1 ZINC000031619350 564159584 /nfs/dbraw/zinc/15/95/84/564159584.db2.gz NEPYJCDQOSPWGM-UHFFFAOYSA-N 0 0 327.428 4.123 50 0 EIAARN Cc1cc(CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)no1 ZINC000031657940 564159642 /nfs/dbraw/zinc/15/96/42/564159642.db2.gz XUYIGNSVLIWODL-UHFFFAOYSA-N 0 0 347.827 4.032 50 0 EIAARN COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2cccc(OC)c2)cc1 ZINC000031821085 564160006 /nfs/dbraw/zinc/16/00/06/564160006.db2.gz DZRIGRKAZHSLHF-KRWDZBQOSA-N 0 0 349.390 4.013 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1)c1ccccc1OCc1ccncc1 ZINC000032062822 564160562 /nfs/dbraw/zinc/16/05/62/564160562.db2.gz YTZVOTPPVIXDFX-UHFFFAOYSA-N 0 0 340.329 4.191 50 0 EIAARN O=C(Oc1ccc2c(c1)onc2-c1ccc(F)cc1)c1cccnc1 ZINC000032104853 564160833 /nfs/dbraw/zinc/16/08/33/564160833.db2.gz PHSQGKGHBONTCI-UHFFFAOYSA-N 0 0 334.306 4.248 50 0 EIAARN C[C@H](NC(=O)c1cccc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000032284780 564161174 /nfs/dbraw/zinc/16/11/74/564161174.db2.gz AVPUQNMCPPKPOX-HNNXBMFYSA-N 0 0 347.414 4.492 50 0 EIAARN Cc1ccc(-c2nc(CSc3nnnn3C3CCCC3)cs2)o1 ZINC000032329940 564161186 /nfs/dbraw/zinc/16/11/86/564161186.db2.gz ZDOJNERJOKZIRJ-UHFFFAOYSA-N 0 0 347.469 4.105 50 0 EIAARN Cc1ccc(-c2cc(CSc3nnc(-c4ccc[nH]4)o3)on2)cc1 ZINC000032329327 564161201 /nfs/dbraw/zinc/16/12/01/564161201.db2.gz YQMJOAHNAUEPLR-UHFFFAOYSA-N 0 0 338.392 4.320 50 0 EIAARN C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1Br ZINC000032480244 564161516 /nfs/dbraw/zinc/16/15/16/564161516.db2.gz BOCLIDSYOMIXMA-LLVKDONJSA-N 0 0 343.224 4.421 50 0 EIAARN C[C@H](NC(=S)NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000007981198 564161724 /nfs/dbraw/zinc/16/17/24/564161724.db2.gz DLVFVHNKEMSGIL-HNAYVOBHSA-N 0 0 340.492 4.058 50 0 EIAARN C[C@@H]1CCc2c(sc3ncnc(Nc4cccc(CO)c4)c32)C1 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c1csc(-c2noc(CSc3ncnc4sccc43)n2)c1 ZINC000008131268 564163006 /nfs/dbraw/zinc/16/30/06/564163006.db2.gz MBGWMOKAVZFTRM-UHFFFAOYSA-N 0 0 332.435 4.095 50 0 EIAARN CC1=C(c2ccc(NC(=O)C(C)(C)C)cc2)N2CCCN=C2S1 ZINC000008133594 564163063 /nfs/dbraw/zinc/16/30/63/564163063.db2.gz JYLKHVMKLYHTDY-UHFFFAOYSA-N 0 0 329.469 4.168 50 0 EIAARN CCn1c(C)nc2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc21 ZINC000008133010 564163093 /nfs/dbraw/zinc/16/30/93/564163093.db2.gz UYMQIDMAYSHJCV-UHFFFAOYSA-N 0 0 336.395 4.211 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cncn1-c1ccc(F)cc1 ZINC000008134420 564163129 /nfs/dbraw/zinc/16/31/29/564163129.db2.gz HSSOZLLZRGDCMK-UHFFFAOYSA-N 0 0 349.287 4.283 50 0 EIAARN COc1ccccc1C1=N/C(=C\c2cccc3ccccc23)C(=O)O1 ZINC000008180165 564163353 /nfs/dbraw/zinc/16/33/53/564163353.db2.gz FCHDDGGGSLUPKH-AQTBWJFISA-N 0 0 329.355 4.193 50 0 EIAARN O=C(Cc1ccccc1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000008189807 564163439 /nfs/dbraw/zinc/16/34/39/564163439.db2.gz BASCUFQTDUQLQB-UHFFFAOYSA-N 0 0 330.359 4.270 50 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ZINC000008708436 564166523 /nfs/dbraw/zinc/16/65/23/564166523.db2.gz SXUUMAPFGUGKOI-UHFFFAOYSA-N 0 0 332.454 4.001 50 0 EIAARN Cc1ccc(-c2nnc(SCC(=O)C3CCCCC3)n2C)cc1 ZINC000008708788 564166569 /nfs/dbraw/zinc/16/65/69/564166569.db2.gz LHDAJNACVOSUTI-UHFFFAOYSA-N 0 0 329.469 4.032 50 0 EIAARN Cc1ccc(-c2nnc(SCc3nccn3C(F)F)o2)cc1C ZINC000008709931 564166577 /nfs/dbraw/zinc/16/65/77/564166577.db2.gz FQIDUKWOPWKPAO-UHFFFAOYSA-N 0 0 336.367 4.237 50 0 EIAARN Cc1nc2cc(CC(=O)NCCCc3ccc(C(C)C)cc3)ccc2[nH]1 ZINC000670473391 564166816 /nfs/dbraw/zinc/16/68/16/564166816.db2.gz NZSBUJMXAYHTQQ-UHFFFAOYSA-N 0 0 349.478 4.286 50 0 EIAARN Cc1cc(CC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)no1 ZINC000172054201 564166861 /nfs/dbraw/zinc/16/68/61/564166861.db2.gz WSZSQARTVHUMLT-KRWDZBQOSA-N 0 0 346.839 4.146 50 0 EIAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(F)cc1 ZINC000008733883 564167054 /nfs/dbraw/zinc/16/70/54/564167054.db2.gz ZAEBLVRECNMHOU-UHFFFAOYSA-N 0 0 346.308 4.330 50 0 EIAARN COc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000008747688 564167212 /nfs/dbraw/zinc/16/72/12/564167212.db2.gz JRNPLYQGWSRDAQ-UHFFFAOYSA-N 0 0 340.354 4.061 50 0 EIAARN C[C@H]1CCCCN1Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000008747851 564167216 /nfs/dbraw/zinc/16/72/16/564167216.db2.gz MGMIYLSZUGFUKH-NSHDSACASA-N 0 0 345.493 4.088 50 0 EIAARN CS[C@H](C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000172400406 564167565 /nfs/dbraw/zinc/16/75/65/564167565.db2.gz XEXNDCVODSNILC-SFHVURJKSA-N 0 0 340.448 4.004 50 0 EIAARN S=C1S[C@H]2c3ccccc3CCN2[C@H]2c3ccccc3CCN12 ZINC000039931460 564167711 /nfs/dbraw/zinc/16/77/11/564167711.db2.gz DGPLTIIRAYJRDI-MSOLQXFVSA-N 0 0 338.501 4.132 50 0 EIAARN CC[C@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1 ZINC000069185367 564168576 /nfs/dbraw/zinc/16/85/76/564168576.db2.gz MSNMKSNVRZFTBG-INIZCTEOSA-N 0 0 326.396 4.122 50 0 EIAARN CO[C@@H](CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2o1 ZINC000245187587 564168643 /nfs/dbraw/zinc/16/86/43/564168643.db2.gz ZPNVNFXZLBZNBH-INIZCTEOSA-N 0 0 347.773 4.343 50 0 EIAARN CCCN1c2ccc(NC(=O)c3ccc(CC)cc3)cc2CCC1=O ZINC000009107067 564168885 /nfs/dbraw/zinc/16/88/85/564168885.db2.gz CMXYCFCCSKIHDY-UHFFFAOYSA-N 0 0 336.435 4.191 50 0 EIAARN O=C([C@H]1CC=CCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000069418586 564169341 /nfs/dbraw/zinc/16/93/41/564169341.db2.gz NCSIIBSYJQAYKE-DLBZAZTESA-N 0 0 337.423 4.147 50 0 EIAARN CC(C)N(Cc1cccnc1)C(=O)Cc1ccccc1C(F)(F)F ZINC000069460907 564169718 /nfs/dbraw/zinc/16/97/18/564169718.db2.gz NVZFWZGVLQOZFI-UHFFFAOYSA-N 0 0 336.357 4.080 50 0 EIAARN C[C@@H](NC(=O)c1c(F)cccc1Cl)c1nc(-c2ccccc2)c[nH]1 ZINC000069489190 564169877 /nfs/dbraw/zinc/16/98/77/564169877.db2.gz TYNODSOMTZZGCP-LLVKDONJSA-N 0 0 343.789 4.360 50 0 EIAARN COc1cccc2c(C)c(C(=O)N3CCC[C@H]3c3cc(C)no3)oc21 ZINC000069532172 564170299 /nfs/dbraw/zinc/17/02/99/564170299.db2.gz YTDKXSZVPGMSKM-AWEZNQCLSA-N 0 0 340.379 4.024 50 0 EIAARN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1csc(-c2ncccn2)n1 ZINC000069593681 564170767 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C[C@@H](C(=O)N1CCCCCC1)[S@](=O)Cc1ccc(C(C)(C)C)cc1 ZINC000069813877 564172341 /nfs/dbraw/zinc/17/23/41/564172341.db2.gz BGXVTDIAHOHXAF-FYSMJZIKSA-N 0 0 349.540 4.024 50 0 EIAARN CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1 ZINC000041076924 564173011 /nfs/dbraw/zinc/17/30/11/564173011.db2.gz HIDCGXPMBIOHNG-UHFFFAOYSA-N 0 0 349.434 4.199 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N(C(C)C)C1CC1 ZINC000070006848 564173210 /nfs/dbraw/zinc/17/32/10/564173210.db2.gz BJHJIQOYBAHUMU-VAWYXSNFSA-N 0 0 341.430 4.041 50 0 EIAARN Cc1noc([C@@H]2CCCN(C(=S)Nc3ccc(C(C)C)cc3)C2)n1 ZINC000070020101 564173357 /nfs/dbraw/zinc/17/33/57/564173357.db2.gz QTGFXBSRNUIUFC-OAHLLOKOSA-N 0 0 344.484 4.078 50 0 EIAARN FC(F)(F)[C@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000070040566 564173500 /nfs/dbraw/zinc/17/35/00/564173500.db2.gz ZOMGGUPVNKQMIS-AWEZNQCLSA-N 0 0 349.400 4.135 50 0 EIAARN CN(CC(=O)Nc1ccc(F)c(Cl)c1)c1nc2ccccc2s1 ZINC000070640838 564174263 /nfs/dbraw/zinc/17/42/63/564174263.db2.gz 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ZINC000175868904 1019443225 /nfs/dbraw/zinc/44/32/25/1019443225.db2.gz HSGBQRQCIYTJOY-GFCCVEGCSA-N 0 0 336.848 4.041 50 0 EIAARN CC(C)c1ccoc1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000287073035 1019558365 /nfs/dbraw/zinc/55/83/65/1019558365.db2.gz LGENPUJSMOUYRD-ZDUSSCGKSA-N 0 0 347.484 4.344 50 0 EIAARN Cc1nc([C@@H](C)N(C)Cc2nc(-c3cccs3)no2)c(C)s1 ZINC000023338826 1021320448 /nfs/dbraw/zinc/32/04/48/1021320448.db2.gz MIFPXESWLUPLNI-SECBINFHSA-N 0 0 334.470 4.064 50 0 EIAARN Cc1cccc(C(=O)N2CC[C@@H](CCOc3ccc(F)cc3)C2)c1 ZINC000581788699 1021874297 /nfs/dbraw/zinc/87/42/97/1021874297.db2.gz SQAOURHNMPXTEM-INIZCTEOSA-N 0 0 327.399 4.065 50 0 EIAARN CN1CCc2ccc(NC(=O)N3CC=C(c4ccccc4)CC3)cc21 ZINC000180211661 1022287183 /nfs/dbraw/zinc/28/71/83/1022287183.db2.gz VDTBLQCMCNOZTB-UHFFFAOYSA-N 0 0 333.435 4.000 50 0 EIAARN C[C@]1(COc2ccncc2)CCCN(Cc2cccc(F)c2F)C1 ZINC000257174370 1022569637 /nfs/dbraw/zinc/56/96/37/1022569637.db2.gz GBNNHXKYCLJQGN-IBGZPJMESA-N 0 0 332.394 4.041 50 0 EIAARN 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O=C(Nc1ccccc1)N1CCCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000581776185 1059981486 /nfs/dbraw/zinc/98/14/86/1059981486.db2.gz JNIGTBKZZHDKQM-KRWDZBQOSA-N 0 0 347.422 4.231 50 0 EIAARN Cc1cccc(C(=O)N2CCCCC[C@H]2c2nc(C3CC3)no2)c1 ZINC000581789377 1060007020 /nfs/dbraw/zinc/00/70/20/1060007020.db2.gz OCSKRZKFXGLWEP-INIZCTEOSA-N 0 0 325.412 4.013 50 0 EIAARN O=C(/C=C\c1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000050647557 214063415 /nfs/dbraw/zinc/06/34/15/214063415.db2.gz GFRHSCDXFGDIOA-DVESRUBUSA-N 0 0 335.382 4.079 50 0 EIAARN O=C1C[C@H](c2cccs2)Cc2nc(Nc3ccc(F)cc3)ncc21 ZINC000004741438 210266457 /nfs/dbraw/zinc/26/64/57/210266457.db2.gz HQLPAYKKQOUMPK-LLVKDONJSA-N 0 0 339.395 4.334 50 0 EIAARN COc1cc(-c2nc3ncccn3c2Nc2cccc(C)c2)ccc1O ZINC000004734137 210264805 /nfs/dbraw/zinc/26/48/05/210264805.db2.gz LOYTZSJPHSAMHE-UHFFFAOYSA-N 0 0 346.390 4.163 50 0 EIAARN O=C(Nc1ccc(Oc2nccc(C(F)(F)F)n2)cc1)c1ccco1 ZINC000051181041 214082046 /nfs/dbraw/zinc/08/20/46/214082046.db2.gz PMRXRVFXTNYROJ-UHFFFAOYSA-N 0 0 349.268 4.133 50 0 EIAARN Cc1nnc(NC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)s1 ZINC000051190222 214083242 /nfs/dbraw/zinc/08/32/42/214083242.db2.gz UTPIVZGIUZLVTG-UHFFFAOYSA-N 0 0 345.255 4.210 50 0 EIAARN Cc1c(C(=O)NC2CCCCCCC2)nnn1-c1cccc(Cl)c1 ZINC000051317621 214088058 /nfs/dbraw/zinc/08/80/58/214088058.db2.gz XHTOHBADFSYEBL-UHFFFAOYSA-N 0 0 346.862 4.072 50 0 EIAARN COc1ccc(NC(=O)Nc2ccccc2Br)c(C)c1 ZINC000051355890 214090070 /nfs/dbraw/zinc/09/00/70/214090070.db2.gz ISGPRMGSEUVMHW-UHFFFAOYSA-N 0 0 335.201 4.410 50 0 EIAARN CC(C)n1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccco1 ZINC000004736094 210264093 /nfs/dbraw/zinc/26/40/93/210264093.db2.gz RIQANKBBMCIDPJ-UHFFFAOYSA-N 0 0 345.399 4.233 50 0 EIAARN Cc1cccnc1C[C@H](C)NC(=O)Nc1ccc(OC(F)F)cc1C ZINC000097641875 219043369 /nfs/dbraw/zinc/04/33/69/219043369.db2.gz TYHRTXSNQOZCLR-ZDUSSCGKSA-N 0 0 349.381 4.053 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000052917076 214155295 /nfs/dbraw/zinc/15/52/95/214155295.db2.gz QHWMPJQYECYEJR-FQEVSTJZSA-N 0 0 339.435 4.000 50 0 EIAARN CC[C@@H](c1ccc(OC)cc1)N(C)C(=O)c1cccc(-c2ncc[nH]2)c1 ZINC000097675454 219046828 /nfs/dbraw/zinc/04/68/28/219046828.db2.gz DJIDGKFLYAOAGB-IBGZPJMESA-N 0 0 349.434 4.309 50 0 EIAARN O=C(CSc1nc2ccccc2o1)NC1(c2ccccc2)CCC1 ZINC000053473082 214184580 /nfs/dbraw/zinc/18/45/80/214184580.db2.gz ZIBVXQGKXGXRJP-UHFFFAOYSA-N 0 0 338.432 4.116 50 0 EIAARN Cc1cc(N[C@H](c2nccn2C)c2ccccc2)nc2ccccc12 ZINC000053599545 214190536 /nfs/dbraw/zinc/19/05/36/214190536.db2.gz OYGMJUBMLZXTNR-FQEVSTJZSA-N 0 0 328.419 4.478 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054190888 214223308 /nfs/dbraw/zinc/22/33/08/214223308.db2.gz VZVCWHOTAKFGAH-SVFBPWRDSA-N 0 0 346.405 4.230 50 0 EIAARN O=C(NCc1ccccc1)c1csc(Nc2ccccc2Cl)n1 ZINC000004699177 210252372 /nfs/dbraw/zinc/25/23/72/210252372.db2.gz VPNQMLIQHNCHMI-UHFFFAOYSA-N 0 0 343.839 4.470 50 0 EIAARN C[C@@H](CO)CN(Cc1ccccc1)Cc1c(Cl)cncc1Cl ZINC000055131376 214277459 /nfs/dbraw/zinc/27/74/59/214277459.db2.gz BKKFUAHCNZHVTP-CYBMUJFWSA-N 0 0 339.266 4.019 50 0 EIAARN CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(COC)o1 ZINC000055154830 214280681 /nfs/dbraw/zinc/28/06/81/214280681.db2.gz OJHUUWIUTUOXLL-UHFFFAOYSA-N 0 0 344.411 4.115 50 0 EIAARN CC[C@@H](c1ccc(OC)cc1)N(CC)C(=O)C1CCC(OC)CC1 ZINC000055196059 214286478 /nfs/dbraw/zinc/28/64/78/214286478.db2.gz ZQVMMSIAMBQTRS-KVZIAJEVSA-N 0 0 333.472 4.200 50 0 EIAARN CCc1c(C)scc1C(=O)N(Cc1cccs1)[C@H](CC)CO ZINC000055252531 214295741 /nfs/dbraw/zinc/29/57/41/214295741.db2.gz HTMFRJFDVKDKFH-CYBMUJFWSA-N 0 0 337.510 4.094 50 0 EIAARN CCN(C(=O)c1cc2cc(C)ccc2nc1C)[C@H]1CCOC(C)(C)C1 ZINC000055254101 214296778 /nfs/dbraw/zinc/29/67/78/214296778.db2.gz JBMLNYKYIGQIDM-KRWDZBQOSA-N 0 0 340.467 4.271 50 0 EIAARN CCCn1cc(C(=O)N(Cc2ccccc2F)[C@H](C)CC)c(C)n1 ZINC000055244090 214294170 /nfs/dbraw/zinc/29/41/70/214294170.db2.gz KTLQQDODINBWOJ-CQSZACIVSA-N 0 0 331.435 4.182 50 0 EIAARN CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1c[nH]nc1C1CC1 ZINC000055309240 214305668 /nfs/dbraw/zinc/30/56/68/214305668.db2.gz QSYHQEIFJWGWKM-FQEVSTJZSA-N 0 0 348.450 4.164 50 0 EIAARN CCN(C/C=C/c1ccccc1)C(=O)c1cc2cccnc2nc1C ZINC000055281546 214300317 /nfs/dbraw/zinc/30/03/17/214300317.db2.gz ZDWKVXFLXIGETG-DHZHZOJOSA-N 0 0 331.419 4.114 50 0 EIAARN CC(C)N(Cc1ccccc1Cl)C(=O)c1ccc2nccnc2c1 ZINC000055282279 214301980 /nfs/dbraw/zinc/30/19/80/214301980.db2.gz NGWCOPPHNWSEEW-UHFFFAOYSA-N 0 0 339.826 4.334 50 0 EIAARN CNc1ncccc1C(=O)N(Cc1sccc1C)C1CCCC1 ZINC000055413817 214322540 /nfs/dbraw/zinc/32/25/40/214322540.db2.gz YYRHYCBECXMRCR-UHFFFAOYSA-N 0 0 329.469 4.078 50 0 EIAARN Cc1nn(C)c2nc(C)cc(C(=O)N(C)c3ccc4ccccc4c3)c12 ZINC000055416018 214322767 /nfs/dbraw/zinc/32/27/67/214322767.db2.gz QBHWKNUMLQBHPE-UHFFFAOYSA-N 0 0 344.418 4.015 50 0 EIAARN Cc1sc(CNC(=O)c2cccnc2)nc1-c1ccc(Cl)cc1 ZINC000055426720 214323112 /nfs/dbraw/zinc/32/31/12/214323112.db2.gz DZTQRBIRVZBFMY-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN CCCCCc1ccc(-c2ncccc2C(=O)N(C)C)c(F)c1F ZINC000097785090 219056782 /nfs/dbraw/zinc/05/67/82/219056782.db2.gz FQEIJPQRGPNGPK-UHFFFAOYSA-N 0 0 332.394 4.461 50 0 EIAARN O=C(NC[C@@H]1CCCOC1)c1cc2sc3ccccc3c2s1 ZINC000055923169 214348927 /nfs/dbraw/zinc/34/89/27/214348927.db2.gz PLXOBHYCEJPEBE-NSHDSACASA-N 0 0 331.462 4.272 50 0 EIAARN Cc1cc(C(=O)N2CCC(Oc3ccccc3)CC2)c2ccccc2n1 ZINC000055763352 214340701 /nfs/dbraw/zinc/34/07/01/214340701.db2.gz PKDGJIJFKPENOG-UHFFFAOYSA-N 0 0 346.430 4.227 50 0 EIAARN Fc1ccc([C@H](NCc2nc(C3CC3)no2)c2cccs2)cc1 ZINC000055827776 214343052 /nfs/dbraw/zinc/34/30/52/214343052.db2.gz JEGXWMHSDNOZGV-INIZCTEOSA-N 0 0 329.400 4.027 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)CC(C)(C)CC(=O)Nc2ccc(F)cc2)C1 ZINC000004681227 210246576 /nfs/dbraw/zinc/24/65/76/210246576.db2.gz ZAKKSMUCFGQWLP-GASCZTMLSA-N 0 0 348.462 4.075 50 0 EIAARN O=S(=O)(/C=C\c1ccccc1)N(Cc1ccco1)C1CCCC1 ZINC000056106670 214359261 /nfs/dbraw/zinc/35/92/61/214359261.db2.gz QUWRELPOANLOJQ-OWBHPGMISA-N 0 0 331.437 4.025 50 0 EIAARN C/C(=C/C(=O)NCc1coc(-c2cccs2)n1)c1ccccc1F ZINC000056390487 214373848 /nfs/dbraw/zinc/37/38/48/214373848.db2.gz UWMVYEVJPGUFHW-XFXZXTDPSA-N 0 0 342.395 4.262 50 0 EIAARN O=C(c1[nH]c2ccc(F)cc2c1Cl)N(Cc1cccnc1)C1CC1 ZINC000056457180 214376050 /nfs/dbraw/zinc/37/60/50/214376050.db2.gz QTPNPNQWVOBJTG-UHFFFAOYSA-N 0 0 343.789 4.160 50 0 EIAARN CC[C@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000056765046 214387902 /nfs/dbraw/zinc/38/79/02/214387902.db2.gz XNAUEVCDBCHEEA-JTQLQIEISA-N 0 0 335.791 4.105 50 0 EIAARN O=C(Nc1nnc(SCc2ccccc2)s1)C1CCCCC1 ZINC000056955434 214397412 /nfs/dbraw/zinc/39/74/12/214397412.db2.gz IPBQCDSIIXIHGC-UHFFFAOYSA-N 0 0 333.482 4.349 50 0 EIAARN O=C(c1c(F)cccc1F)N1CCC(c2nc3ccccc3o2)CC1 ZINC000049942199 214036030 /nfs/dbraw/zinc/03/60/30/214036030.db2.gz DNUHZUZOZQDHOB-UHFFFAOYSA-N 0 0 342.345 4.126 50 0 EIAARN COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccncc2)cc1 ZINC000058003608 214469759 /nfs/dbraw/zinc/46/97/59/214469759.db2.gz VIYTUIUGYYCPQJ-UHFFFAOYSA-N 0 0 347.418 4.325 50 0 EIAARN C[C@@H](O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000004666546 210241997 /nfs/dbraw/zinc/24/19/97/210241997.db2.gz JQMUUOOKZHGIMA-SNVBAGLBSA-N 0 0 340.206 4.064 50 0 EIAARN Cc1cc(NC(=O)N2CCc3sccc3[C@@H]2c2cccs2)no1 ZINC000058182150 214496081 /nfs/dbraw/zinc/49/60/81/214496081.db2.gz NVDDWQDDTVWOGY-OAHLLOKOSA-N 0 0 345.449 4.286 50 0 EIAARN CN(C)C(=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004655764 210237886 /nfs/dbraw/zinc/23/78/86/210237886.db2.gz SDIQEAALBUGRLE-UHFFFAOYSA-N 0 0 345.442 4.083 50 0 EIAARN O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCCCC[C@@H]1c1ccncc1 ZINC000049764933 214031515 /nfs/dbraw/zinc/03/15/15/214031515.db2.gz UXOVRRGRJJDKIX-XUVXKRRUSA-N 0 0 338.426 4.468 50 0 EIAARN O=C(NCc1ccc(-n2cccc2)cc1)c1cc(F)c(F)cc1Cl ZINC000004628869 210235787 /nfs/dbraw/zinc/23/57/87/210235787.db2.gz UXIWMCSRUBKVNQ-UHFFFAOYSA-N 0 0 346.764 4.339 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)CCO4)cn2)cc1 ZINC000058366173 214562380 /nfs/dbraw/zinc/56/23/80/214562380.db2.gz NUHUIRXIRHAYQC-UHFFFAOYSA-N 0 0 346.386 4.370 50 0 EIAARN CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccccc1 ZINC000004629571 210235095 /nfs/dbraw/zinc/23/50/95/210235095.db2.gz FAZXMQSIGZORAV-FQEVSTJZSA-N 0 0 347.418 4.041 50 0 EIAARN COc1cccc(OC)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004614274 210232456 /nfs/dbraw/zinc/23/24/56/210232456.db2.gz SJUYBWGSELBEPH-JHMRYYBSSA-N 0 0 343.467 4.039 50 0 EIAARN Cc1cc(C)cc(OCCNC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000004619692 210232037 /nfs/dbraw/zinc/23/20/37/210232037.db2.gz WJWSWBOBYCOUMY-UHFFFAOYSA-N 0 0 339.769 4.044 50 0 EIAARN CCCCc1cc(=O)oc2c1ccc1c2CN(Cc2ccccc2)CO1 ZINC000058979789 214612202 /nfs/dbraw/zinc/61/22/02/214612202.db2.gz MNHYCZIUCPUTQL-UHFFFAOYSA-N 0 0 349.430 4.488 50 0 biogenic EIAARN Clc1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1 ZINC000049581245 214020004 /nfs/dbraw/zinc/02/00/04/214020004.db2.gz BAQQZPMERRUGIU-UHFFFAOYSA-N 0 0 334.810 4.438 50 0 EIAARN COc1ccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)c(Cl)c1 ZINC000004589664 210228230 /nfs/dbraw/zinc/22/82/30/210228230.db2.gz UKNFMKKXAVQBHC-NVNXTCNLSA-N 0 0 348.185 4.347 50 0 EIAARN COc1ccc(OC)c(/C=C2\N=C(/C=C/c3ccc(C)cc3)OC2=O)c1 ZINC000004589920 210228026 /nfs/dbraw/zinc/22/80/26/210228026.db2.gz VXKHQBRFWJFYCD-XASRFGTQSA-N 0 0 349.386 4.022 50 0 EIAARN CSc1ccc(-c2nnc(NC(=O)CCc3ccccc3)o2)cc1 ZINC000004585623 210227544 /nfs/dbraw/zinc/22/75/44/210227544.db2.gz SXIVPGSWXLRCTA-UHFFFAOYSA-N 0 0 339.420 4.030 50 0 EIAARN O=C(NCc1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000098072963 219078604 /nfs/dbraw/zinc/07/86/04/219078604.db2.gz HHSYOLWAFSNQBZ-UHFFFAOYSA-N 0 0 328.265 4.046 50 0 EIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1cccc(OC(F)F)c1 ZINC000049547145 214016874 /nfs/dbraw/zinc/01/68/74/214016874.db2.gz WYLQPYDNCHVUBX-GFCCVEGCSA-N 0 0 335.354 4.363 50 0 EIAARN Cc1nn(C)c2c1[C@H](c1ccc(-c3ccccc3)o1)SCC(=O)N2 ZINC000049544831 214016710 /nfs/dbraw/zinc/01/67/10/214016710.db2.gz GBNPRZOQLPGUQI-KRWDZBQOSA-N 0 0 339.420 4.413 50 0 EIAARN Cc1nn(C)c2c1[C@H](c1cccc(OCC(C)C)c1)SCC(=O)N2 ZINC000049545484 214016299 /nfs/dbraw/zinc/01/62/99/214016299.db2.gz PMIPEYBANAXELX-KRWDZBQOSA-N 0 0 345.468 4.188 50 0 EIAARN Cc1ccc(-c2nc3c(nc4cc(-c5ccccc5)nn4c3N)o2)cc1 ZINC000098086556 219081274 /nfs/dbraw/zinc/08/12/74/219081274.db2.gz ABOSSIMVJTUYNK-UHFFFAOYSA-N 0 0 341.374 4.095 50 0 EIAARN CC(C)c1c2cc3c(cc2[nH]c(=O)c1Cc1ccccc1)OCCO3 ZINC000098086834 219081925 /nfs/dbraw/zinc/08/19/25/219081925.db2.gz UGSBBFKZIQBIMI-UHFFFAOYSA-N 0 0 335.403 4.014 50 0 EIAARN CNc1nc2c(s1)[C@H](c1cccc(Br)c1)CC(=O)N2 ZINC000061718783 214674258 /nfs/dbraw/zinc/67/42/58/214674258.db2.gz UOSFZLMLXWXNRX-VIFPVBQESA-N 0 0 338.230 4.071 50 0 EIAARN C/C(=C\c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000004543375 210219698 /nfs/dbraw/zinc/21/96/98/210219698.db2.gz IIGCSMMYJZAWAD-ZAYKTNKFSA-N 0 0 338.476 4.458 50 0 EIAARN O=C(Nc1cnc2ccccc2c1)c1cc(Br)ccc1F ZINC000004542568 210217812 /nfs/dbraw/zinc/21/78/12/210217812.db2.gz QTVIKTSWHBNEHX-UHFFFAOYSA-N 0 0 345.171 4.389 50 0 EIAARN CCOc1ccc(NC(=O)/C=C/c2cccc(OC)c2Cl)cc1 ZINC000004542625 210217860 /nfs/dbraw/zinc/21/78/60/210217860.db2.gz SVAULIWKZJWSEW-KPKJPENVSA-N 0 0 331.799 4.399 50 0 EIAARN Cc1cccc2c1N(Cc1ccccc1OCCC(C)C)C(=O)C2=O ZINC000004537627 210216948 /nfs/dbraw/zinc/21/69/48/210216948.db2.gz RDMKTRUHFQRQEF-UHFFFAOYSA-N 0 0 337.419 4.149 50 0 EIAARN Clc1ccccc1/C=C/c1nn2c(nnc2-c2ccncc2)s1 ZINC000004540217 210216404 /nfs/dbraw/zinc/21/64/04/210216404.db2.gz ZKOHDUUILPWIOJ-AATRIKPKSA-N 0 0 339.811 4.072 50 0 EIAARN COc1cccc2sc(NC(=O)c3cccc(SC)c3)nc21 ZINC000004517474 210211720 /nfs/dbraw/zinc/21/17/20/210211720.db2.gz MHYJUCBHZRQKAM-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN CSc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)c1 ZINC000004517540 210210841 /nfs/dbraw/zinc/21/08/41/210210841.db2.gz XKSADJHWIOTJRR-UHFFFAOYSA-N 0 0 345.811 4.364 50 0 EIAARN COc1ccc(/C=C/c2nn3c(nnc3-c3cccs3)s2)cc1 ZINC000004511868 210209801 /nfs/dbraw/zinc/20/98/01/210209801.db2.gz IAALAXTZZXUFDK-RMKNXTFCSA-N 0 0 340.433 4.093 50 0 EIAARN O=c1c(-c2ccccc2)c(O)c2ccccc2n1Cc1ccccc1 ZINC000100215064 219094272 /nfs/dbraw/zinc/09/42/72/219094272.db2.gz VLCWDQVBSNRCJQ-UHFFFAOYSA-N 0 0 327.383 4.422 50 0 EIAARN COc1ccc2nc(NC(=O)CSc3ccc(C)cc3)sc2c1 ZINC000004496432 210203953 /nfs/dbraw/zinc/20/39/53/210203953.db2.gz TYZGBMZEPZYTLF-UHFFFAOYSA-N 0 0 344.461 4.344 50 0 EIAARN O=C(CCSc1ccc(F)cc1)Nc1nc2c(s1)CCCC2 ZINC000004496813 210203581 /nfs/dbraw/zinc/20/35/81/210203581.db2.gz GWMGSKPLTCFEMG-UHFFFAOYSA-N 0 0 336.457 4.282 50 0 EIAARN C[C@H](OC(=O)C=C1CCCCC1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000064132176 214779738 /nfs/dbraw/zinc/77/97/38/214779738.db2.gz XNCGDRCCWPSQQK-GOEBONIOSA-N 0 0 347.480 4.234 50 0 EIAARN COc1cccc(C(=O)Nc2nc3c(cc(C)cc3C)s2)c1OC ZINC000004479335 210197899 /nfs/dbraw/zinc/19/78/99/210197899.db2.gz ODUDFRYHKPOTMJ-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN NC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000004427964 210192698 /nfs/dbraw/zinc/19/26/98/210192698.db2.gz DOVIBCPHDNLZGU-YVAYNOFSSA-N 0 0 331.419 4.362 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000004427354 210192719 /nfs/dbraw/zinc/19/27/19/210192719.db2.gz WUQQBLWRKADKHW-NSHDSACASA-N 0 0 336.218 4.350 50 0 EIAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1cc(Cl)ccc1C ZINC000064472025 214788678 /nfs/dbraw/zinc/78/86/78/214788678.db2.gz UQFWMFJBUALRIP-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN Cc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1 ZINC000064667220 214799280 /nfs/dbraw/zinc/79/92/80/214799280.db2.gz AKFOIPCAJIAGPJ-MRXNPFEDSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1ccc(S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000100912073 219111263 /nfs/dbraw/zinc/11/12/63/219111263.db2.gz QDJSNDWKIXRDJL-HNNXBMFYSA-N 0 0 331.824 4.073 50 0 EIAARN Cc1cccc(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)c1 ZINC000004385650 210184627 /nfs/dbraw/zinc/18/46/27/210184627.db2.gz CULDPQAYXHIFDF-UHFFFAOYSA-N 0 0 349.478 4.098 50 0 EIAARN Cc1ccsc1C[C@@H]1c2cc(Br)ccc2N(C)C1=O ZINC000101014833 219113676 /nfs/dbraw/zinc/11/36/76/219113676.db2.gz JAVIDZZTOYBASM-GFCCVEGCSA-N 0 0 336.254 4.122 50 0 EIAARN Cn1ncc2c1nc(NC1CCCC1)nc2Nc1ccc(Cl)cc1 ZINC000004374909 210184082 /nfs/dbraw/zinc/18/40/82/210184082.db2.gz XBFQWDYVALKAOM-UHFFFAOYSA-N 0 0 342.834 4.115 50 0 EIAARN COc1ccc(Br)cc1C[C@@H]1C(=O)Nc2ccc(C)cc21 ZINC000101016681 219114404 /nfs/dbraw/zinc/11/44/04/219114404.db2.gz ITBXCBBBROMRHS-AWEZNQCLSA-N 0 0 346.224 4.045 50 0 EIAARN Cc1cccc(Cn2c(CO)cnc2SCc2ccccc2F)c1 ZINC000004379399 210183253 /nfs/dbraw/zinc/18/32/53/210183253.db2.gz WIPGNPJWWYFQRD-UHFFFAOYSA-N 0 0 342.439 4.164 50 0 EIAARN COc1ccc(-c2noc(CSc3ccccc3)n2)cc1OC ZINC000004374052 210181833 /nfs/dbraw/zinc/18/18/33/210181833.db2.gz BCBDROXBMRHYCN-UHFFFAOYSA-N 0 0 328.393 4.046 50 0 EIAARN Cc1nc2c(-c3ccccc3)noc2c(NCCc2cccs2)n1 ZINC000064835298 214808445 /nfs/dbraw/zinc/80/84/45/214808445.db2.gz XZMYJUKQIHVECK-UHFFFAOYSA-N 0 0 336.420 4.309 50 0 EIAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2NCc1ccccc1 ZINC000004354827 210179358 /nfs/dbraw/zinc/17/93/58/210179358.db2.gz ODOQUZDGZLFOOD-UHFFFAOYSA-N 0 0 349.825 4.389 50 0 EIAARN Fc1ccc(Oc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000004355249 210179234 /nfs/dbraw/zinc/17/92/34/210179234.db2.gz CVIJSJYMJVCSSQ-UHFFFAOYSA-N 0 0 340.745 4.400 50 0 EIAARN Cc1ccc(-n2c(=O)c3cccnc3n2Cc2ccccc2C)cc1C ZINC000064951324 214816258 /nfs/dbraw/zinc/81/62/58/214816258.db2.gz RKHRIRXECFIKQY-UHFFFAOYSA-N 0 0 343.430 4.161 50 0 EIAARN CCCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2ccccc21 ZINC000064963662 214816530 /nfs/dbraw/zinc/81/65/30/214816530.db2.gz GETJXYVUXFCREW-UHFFFAOYSA-N 0 0 331.375 4.129 50 0 EIAARN Cc1nnc(SCc2c(F)cccc2F)n1-c1ccc(C)cc1 ZINC000004354787 210178623 /nfs/dbraw/zinc/17/86/23/210178623.db2.gz QTSKXEHRKWJTDE-UHFFFAOYSA-N 0 0 331.391 4.455 50 0 EIAARN Cc1ccc(NC(=O)c2cnn3c2nccc3-c2cccc(C)c2)cc1 ZINC000004356906 210178368 /nfs/dbraw/zinc/17/83/68/210178368.db2.gz DIMPJFWLZITWKA-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Fc1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 ZINC000004356574 210178480 /nfs/dbraw/zinc/17/84/80/210178480.db2.gz PFKYMMQOSCQFBX-UHFFFAOYSA-N 0 0 340.379 4.304 50 0 aggregator EIAARN CCCn1nnc2cc(-c3noc(-c4ccccc4Cl)n3)ccc21 ZINC000064980029 214819050 /nfs/dbraw/zinc/81/90/50/214819050.db2.gz PEPSCPHRZJGZNJ-UHFFFAOYSA-N 0 0 339.786 4.212 50 0 EIAARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)c1cccs1 ZINC000004347003 210177187 /nfs/dbraw/zinc/17/71/87/210177187.db2.gz KKCYZBAEJJQPJX-UHFFFAOYSA-N 0 0 342.489 4.461 50 0 EIAARN Cc1c2cccc(C)c2oc1-c1noc(C(=O)N2CCCCCC2)n1 ZINC000065010012 214822855 /nfs/dbraw/zinc/82/28/55/214822855.db2.gz LJXCREGSTGZSJO-UHFFFAOYSA-N 0 0 339.395 4.116 50 0 EIAARN COc1ccc(-c2cc([C@@](C)(O)CCCC(C)(C)OC)on2)cc1 ZINC000004344250 210176378 /nfs/dbraw/zinc/17/63/78/210176378.db2.gz NQXHWNVRVJRDKU-IBGZPJMESA-N 0 0 333.428 4.153 50 0 EIAARN CC(=O)Oc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000004340051 210176006 /nfs/dbraw/zinc/17/60/06/210176006.db2.gz CPFCSBARSVWUAB-UHFFFAOYSA-N 0 0 328.751 4.347 50 0 biogenic EIAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(SC)c1 ZINC000065114148 214828917 /nfs/dbraw/zinc/82/89/17/214828917.db2.gz UAYPTJYPFHVQKB-UHFFFAOYSA-N 0 0 339.420 4.190 50 0 EIAARN COc1ccc(C(=O)Nc2cc(-c3ccc(C)s3)no2)c(C)c1 ZINC000065153353 214834549 /nfs/dbraw/zinc/83/45/49/214834549.db2.gz DBGBFKSFBGWQTA-UHFFFAOYSA-N 0 0 328.393 4.281 50 0 EIAARN CC1=NN(c2ccc(C(=O)Nc3cccc(-c4cnco4)c3)cc2)CC1 ZINC000065158876 214834826 /nfs/dbraw/zinc/83/48/26/214834826.db2.gz WUHKSGGACDUXGS-UHFFFAOYSA-N 0 0 346.390 4.180 50 0 EIAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccnc2)cc1C ZINC000004329833 210172779 /nfs/dbraw/zinc/17/27/79/210172779.db2.gz GTTQEGURSSBJNM-HXUWFJFHSA-N 0 0 346.434 4.137 50 0 EIAARN CCCc1cc(=O)[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000004317426 210168456 /nfs/dbraw/zinc/16/84/56/210168456.db2.gz IKPIYMGBEZNSLM-UHFFFAOYSA-N 0 0 329.252 4.322 50 0 EIAARN CC(C)n1nc(CNC(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000065219855 214845200 /nfs/dbraw/zinc/84/52/00/214845200.db2.gz RFWSPAMZXKSXSS-UHFFFAOYSA-N 0 0 327.815 4.201 50 0 EIAARN CC(C)n1cnc2ccc(-c3noc(COc4ccccc4)n3)cc21 ZINC000065240640 214849668 /nfs/dbraw/zinc/84/96/68/214849668.db2.gz UZVWOCMMYZGPBB-UHFFFAOYSA-N 0 0 334.379 4.246 50 0 EIAARN CSc1ccccc1C(=O)Nc1nc(-c2ccncc2)cs1 ZINC000004303501 210165204 /nfs/dbraw/zinc/16/52/04/210165204.db2.gz LGSLMLFRWUGKFY-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN Cc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1C ZINC000004275915 210158014 /nfs/dbraw/zinc/15/80/14/210158014.db2.gz IMFLGBZUJMZCPY-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc2ncsc2c1 ZINC000004264232 210155413 /nfs/dbraw/zinc/15/54/13/210155413.db2.gz URVQYXKFLVGZPS-UHFFFAOYSA-N 0 0 347.371 4.437 50 0 EIAARN C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O ZINC000005359880 290721136 /nfs/dbraw/zinc/72/11/36/290721136.db2.gz USGKSIJYOHEDEV-GCLMUHHRSA-N 0 0 330.468 4.261 50 0 biogenic,in-vitro EIAARN Cc1c2cc(C)ccc2oc1[C@H]1CC(=O)Nc2c1c(C1CC1)nn2C ZINC000065370463 214877902 /nfs/dbraw/zinc/87/79/02/214877902.db2.gz RLULYSXILGACNA-AWEZNQCLSA-N 0 0 335.407 4.135 50 0 EIAARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc(F)c1 ZINC000004247958 210151375 /nfs/dbraw/zinc/15/13/75/210151375.db2.gz JGLGOYBAQXGXRX-UHFFFAOYSA-N 0 0 331.350 4.393 50 0 EIAARN Cc1nc2ccccc2c(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000004241472 210149373 /nfs/dbraw/zinc/14/93/73/210149373.db2.gz CPLWDBOWZBMZBV-UHFFFAOYSA-N 0 0 343.839 4.322 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(Cl)s1 ZINC000004242486 210149444 /nfs/dbraw/zinc/14/94/44/210149444.db2.gz YLLWRHUFSUMSFR-UHFFFAOYSA-N 0 0 333.796 4.231 50 0 EIAARN Cc1cc(CN(C)C(=O)N[C@H](c2cccs2)C2CCCC2)no1 ZINC000065402521 214894457 /nfs/dbraw/zinc/89/44/57/214894457.db2.gz XUWNOAFTFRNFOD-INIZCTEOSA-N 0 0 333.457 4.117 50 0 EIAARN CCCCc1ccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)cc1 ZINC000004225223 210147363 /nfs/dbraw/zinc/14/73/63/210147363.db2.gz ZDJZFCQRZQODCF-INIZCTEOSA-N 0 0 333.435 4.426 50 0 EIAARN O=C(Nc1nc(COc2ccccc2)cs1)c1ccccc1F ZINC000004165579 210136891 /nfs/dbraw/zinc/13/68/91/210136891.db2.gz QFIZWLHOOMPEPD-UHFFFAOYSA-N 0 0 328.368 4.114 50 0 EIAARN CN(Cc1cscn1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000065492969 214931823 /nfs/dbraw/zinc/93/18/23/214931823.db2.gz SIIUDKGPDMWHEK-UHFFFAOYSA-N 0 0 342.445 4.036 50 0 EIAARN COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(OC)c1OC ZINC000004140775 210131428 /nfs/dbraw/zinc/13/14/28/210131428.db2.gz NISRURWXXKDTGV-VQHVLOKHSA-N 0 0 337.375 4.137 50 0 EIAARN NC(=O)c1c2c(sc1Nc1nc3c(cccc3F)s1)CCCC2 ZINC000004137678 210128906 /nfs/dbraw/zinc/12/89/06/210128906.db2.gz ISVCRFIVDJABDB-UHFFFAOYSA-N 0 0 347.440 4.218 50 0 EIAARN COC(=O)c1cc(Cl)c(OCc2ccc(OC)cc2)c(Cl)c1 ZINC000004105500 210119988 /nfs/dbraw/zinc/11/99/88/210119988.db2.gz AAXHVLRQWQFCBT-UHFFFAOYSA-N 0 0 341.190 4.368 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2cccnc2)n1 ZINC000004090360 210117913 /nfs/dbraw/zinc/11/79/13/210117913.db2.gz UHATYROPBXOPFO-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1F ZINC000004072179 210113544 /nfs/dbraw/zinc/11/35/44/210113544.db2.gz RWLSLUBOLLWKBF-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN CCCCCOc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000004073593 210112993 /nfs/dbraw/zinc/11/29/93/210112993.db2.gz PHXAHNHFSUYNBQ-RXVVDRJESA-N 0 0 345.483 4.023 50 0 biogenic EIAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004063548 210111715 /nfs/dbraw/zinc/11/17/15/210111715.db2.gz NCMZQTLCXHGLOK-KPKYYQPRSA-N 0 0 330.468 4.450 50 0 in-vitro EIAARN Cc1c(C(=O)C(=O)N(Cc2ccccc2)C(C)C)c2ccccc2n1C ZINC000004062385 210110490 /nfs/dbraw/zinc/11/04/90/210110490.db2.gz DVHJGWFLLLMREG-UHFFFAOYSA-N 0 0 348.446 4.107 50 0 EIAARN O=C(Nc1nc(-c2ccncc2)cs1)c1ccc2ncsc2c1 ZINC000004059547 210110561 /nfs/dbraw/zinc/11/05/61/210110561.db2.gz HZQBDNRKYFWBCC-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccccc1Cl ZINC000004070361 210112403 /nfs/dbraw/zinc/11/24/03/210112403.db2.gz CNCQYKJTLZTFHS-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN Cc1cc2cc(CNC(=O)Cc3cccc4ccccc43)ccc2n1C ZINC000004061563 210110205 /nfs/dbraw/zinc/11/02/05/210110205.db2.gz UWOOUEKWDHFGGU-UHFFFAOYSA-N 0 0 342.442 4.499 50 0 EIAARN O=C1c2ccccc2C(=O)N1c1ccc(OCc2ccc(F)cc2)cc1 ZINC000004056245 210109059 /nfs/dbraw/zinc/10/90/59/210109059.db2.gz KFKNTFUCDTXIJZ-UHFFFAOYSA-N 0 0 347.345 4.205 50 0 EIAARN O=C(NCc1c(Cl)cccc1-n1cccc1)Nc1ccccc1 ZINC000004054741 210108683 /nfs/dbraw/zinc/10/86/83/210108683.db2.gz UNPKBDTXWZMYFL-UHFFFAOYSA-N 0 0 325.799 4.452 50 0 EIAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000101893231 219170462 /nfs/dbraw/zinc/17/04/62/219170462.db2.gz DGJJBGKNEXEONI-IYWMVGAKSA-N 0 0 335.447 4.483 50 0 EIAARN O=C(CCC1CCCC1)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000004033001 210104599 /nfs/dbraw/zinc/10/45/99/210104599.db2.gz HMEMYQGDNHBQMR-UHFFFAOYSA-N 0 0 334.423 4.305 50 0 EIAARN Cc1c(-c2cccc(NC(=O)C3CCCCC3)c2)nc2ncccn12 ZINC000004033180 210104471 /nfs/dbraw/zinc/10/44/71/210104471.db2.gz KYABBTGNFKPSOX-UHFFFAOYSA-N 0 0 334.423 4.224 50 0 EIAARN CC(C)n1c(=O)oc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000046010377 213771911 /nfs/dbraw/zinc/77/19/11/213771911.db2.gz VABONTGCABKIBK-UHFFFAOYSA-N 0 0 330.771 4.081 50 0 EIAARN O=C(OCCCCCCOC(=O)c1ccccc1)c1ccccc1 ZINC000004017997 210102054 /nfs/dbraw/zinc/10/20/54/210102054.db2.gz TYTTZVDFWCBYPG-UHFFFAOYSA-N 0 0 326.392 4.261 50 0 EIAARN Cc1ccc([S@@](=O)CC(O)(c2ccccc2)c2ccccc2)cc1 ZINC000004040764 210105870 /nfs/dbraw/zinc/10/58/70/210105870.db2.gz OFLRZTHODSJPTL-XMMPIXPASA-N 0 0 336.456 4.039 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033427 210105087 /nfs/dbraw/zinc/10/50/87/210105087.db2.gz NGEDGNQJDCVHHA-CQSZACIVSA-N 0 0 337.398 4.277 50 0 EIAARN CC(C)CC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000003912442 210092389 /nfs/dbraw/zinc/09/23/89/210092389.db2.gz MEBRMANDNCDXRT-UHFFFAOYSA-N 0 0 335.860 4.257 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccc(O)c2)on1 ZINC000003908316 210091299 /nfs/dbraw/zinc/09/12/99/210091299.db2.gz BSBCNNSAEKZCSP-UHFFFAOYSA-N 0 0 348.280 4.318 50 0 EIAARN CCCCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000003900165 210087527 /nfs/dbraw/zinc/08/75/27/210087527.db2.gz HKXOSQFFMYLOBC-UHFFFAOYSA-N 0 0 336.435 4.319 50 0 biogenic EIAARN CC[C@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccc(C)c(C)c3)nn21 ZINC000102112558 219186768 /nfs/dbraw/zinc/18/67/68/219186768.db2.gz CALRFEUMZLUQJQ-OAQYLSRUSA-N 0 0 346.434 4.097 50 0 EIAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)cc1C ZINC000003886909 210085019 /nfs/dbraw/zinc/08/50/19/210085019.db2.gz MXXWEBIAYCQBMH-UHFFFAOYSA-N 0 0 328.462 4.215 50 0 EIAARN CC(=O)O[C@H](C)OC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000003872600 210082316 /nfs/dbraw/zinc/08/23/16/210082316.db2.gz ALIVXCSEERJYHU-OCCSQVGLSA-N 0 0 330.355 4.049 50 0 in-man EIAARN S=c1n(CN2CCCCC2)c2ccccc2n1CN1CCCCC1 ZINC000003683266 210073932 /nfs/dbraw/zinc/07/39/32/210073932.db2.gz YDRGIXKKJVGSAW-UHFFFAOYSA-N 0 0 344.528 4.059 50 0 EIAARN CC(=O)Nc1ccc(Nc2nc(C)nc3c4ccccc4oc32)cc1 ZINC000003646836 210070160 /nfs/dbraw/zinc/07/01/60/210070160.db2.gz ZEYZBSFUGHQPJB-UHFFFAOYSA-N 0 0 332.363 4.386 50 0 EIAARN Cc1nn(Cc2cccc(C(=O)NC3CCCCC3)c2)c(C)c1Cl ZINC000003638844 210071023 /nfs/dbraw/zinc/07/10/23/210071023.db2.gz CIAAMIQKWXXCEM-UHFFFAOYSA-N 0 0 345.874 4.264 50 0 EIAARN COc1nc(-c2ccccc2)nc(Cl)c1NC(=O)c1ccccc1 ZINC000044974296 213695966 /nfs/dbraw/zinc/69/59/66/213695966.db2.gz IDQRYPAWKZXFMI-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000003549200 210052433 /nfs/dbraw/zinc/05/24/33/210052433.db2.gz WGQXBYDIESUMIT-KRWDZBQOSA-N 0 0 331.799 4.150 50 0 EIAARN Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1 ZINC000102606890 219214257 /nfs/dbraw/zinc/21/42/57/219214257.db2.gz APDPTEZNIIDUGX-CWFSZBLJSA-N 0 0 347.414 4.489 50 0 EIAARN C[C@@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccccc2)C1 ZINC000102602571 219213305 /nfs/dbraw/zinc/21/33/05/219213305.db2.gz GXIMBOBVUBELFW-LKFCYVNXSA-N 0 0 348.328 4.214 50 0 EIAARN Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000102602521 219213436 /nfs/dbraw/zinc/21/34/36/219213436.db2.gz IRZBQEJIIHYIIU-ABKXIKBNSA-N 0 0 328.803 4.157 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)c1cccc(Cl)c1 ZINC000003454762 210044058 /nfs/dbraw/zinc/04/40/58/210044058.db2.gz ZMPQCPOFNBYKQM-SECBINFHSA-N 0 0 334.784 4.347 50 0 EIAARN Cc1csc(NC(=O)CSc2ccc3c4c(cccc42)CC3)n1 ZINC000003451503 210042561 /nfs/dbraw/zinc/04/25/61/210042561.db2.gz GSUXYTNEVIJFGR-UHFFFAOYSA-N 0 0 340.473 4.434 50 0 EIAARN COc1ccc(OCCOC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000003437722 210038615 /nfs/dbraw/zinc/03/86/15/210038615.db2.gz UUQQJNXMQZJZDM-UHFFFAOYSA-N 0 0 339.391 4.029 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000003451631 210042429 /nfs/dbraw/zinc/04/24/29/210042429.db2.gz LAKVFVUJTXYBOG-INIZCTEOSA-N 0 0 347.462 4.240 50 0 EIAARN COc1cccc(CN(C)C(=O)/C=C/c2ccc(SC)cc2)c1 ZINC000003446048 210042036 /nfs/dbraw/zinc/04/20/36/210042036.db2.gz VXAZUEGMTYVXKB-FMIVXFBMSA-N 0 0 327.449 4.089 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1OCC ZINC000003438794 210039726 /nfs/dbraw/zinc/03/97/26/210039726.db2.gz RUKNGERCQKSCNT-UHFFFAOYSA-N 0 0 349.814 4.398 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)c1 ZINC000003437967 210038953 /nfs/dbraw/zinc/03/89/53/210038953.db2.gz CWSSDKGPFKJFPI-CYBMUJFWSA-N 0 0 340.448 4.297 50 0 EIAARN O=C(CC(F)(F)F)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000179028253 232693889 /nfs/dbraw/zinc/69/38/89/232693889.db2.gz IZCZZGVYOVOCMG-UHFFFAOYSA-N 0 0 337.794 4.376 50 0 EIAARN CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000102675414 219220856 /nfs/dbraw/zinc/22/08/56/219220856.db2.gz FLJHVSOTFMLWBQ-AWEZNQCLSA-N 0 0 346.843 4.325 50 0 EIAARN CCCCc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000003417599 210033975 /nfs/dbraw/zinc/03/39/75/210033975.db2.gz KUTHJLCMLQUDRU-UHFFFAOYSA-N 0 0 344.842 4.051 50 0 EIAARN O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1ccccc1Cl ZINC000044641059 213639402 /nfs/dbraw/zinc/63/94/02/213639402.db2.gz FJKGHNPPCQZJPI-UHFFFAOYSA-N 0 0 347.823 4.110 50 0 EIAARN COc1ccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000003433332 210037134 /nfs/dbraw/zinc/03/71/34/210037134.db2.gz GOETULXXCIWVOL-UHFFFAOYSA-N 0 0 342.395 4.139 50 0 EIAARN Cc1ccc(C)c(C(=O)OCC(=O)Nc2cccc3ccccc32)c1 ZINC000003401304 210028637 /nfs/dbraw/zinc/02/86/37/210028637.db2.gz OFEATLBSNHHRHS-UHFFFAOYSA-N 0 0 333.387 4.252 50 0 EIAARN Cc1ncsc1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2 ZINC000102700319 219223934 /nfs/dbraw/zinc/22/39/34/219223934.db2.gz BGXZWIPTEMTGII-MUJYYYPQSA-N 0 0 344.455 4.450 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cccnc1Cl ZINC000003397240 210026817 /nfs/dbraw/zinc/02/68/17/210026817.db2.gz XXIFPQNUKLUHPZ-GFCCVEGCSA-N 0 0 346.814 4.044 50 0 EIAARN O=C(COc1cccc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000003386310 210023490 /nfs/dbraw/zinc/02/34/90/210023490.db2.gz HFEYHZIUFUEQDS-UHFFFAOYSA-N 0 0 331.293 4.275 50 0 EIAARN CCCCC(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003348709 210015187 /nfs/dbraw/zinc/01/51/87/210015187.db2.gz UKAMGGNGZPVLMH-UHFFFAOYSA-N 0 0 338.618 4.319 50 0 EIAARN O=C(CCCOc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003343657 210013288 /nfs/dbraw/zinc/01/32/88/210013288.db2.gz GDQBHSITLZCJKW-UHFFFAOYSA-N 0 0 339.313 4.383 50 0 EIAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccnc1Cl ZINC000003325575 210008424 /nfs/dbraw/zinc/00/84/24/210008424.db2.gz YSLPVOKYOUCIBY-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN Cc1ccc(CN(C)C(=S)Nc2cccc(C(F)(F)F)c2)o1 ZINC000003328436 210008277 /nfs/dbraw/zinc/00/82/77/210008277.db2.gz BOHRNGALCZEDKX-UHFFFAOYSA-N 0 0 328.359 4.436 50 0 EIAARN COC(=O)c1ccc(COC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003334878 210010568 /nfs/dbraw/zinc/01/05/68/210010568.db2.gz IHOVMULYHPAQEY-UHFFFAOYSA-N 0 0 339.174 4.137 50 0 EIAARN Clc1ccc(-n2ncc3c2nc(Cl)nc3N2CCCCC2)cc1 ZINC000067172372 215120212 /nfs/dbraw/zinc/12/02/12/215120212.db2.gz CPIQGPXDCAENKV-UHFFFAOYSA-N 0 0 348.237 4.113 50 0 EIAARN CCCN(CC1CC1)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000003313446 210004238 /nfs/dbraw/zinc/00/42/38/210004238.db2.gz VMZPYOJRDQXPBE-UHFFFAOYSA-N 0 0 349.525 4.049 50 0 aggregator EIAARN Cc1ccc(C(=O)Nc2ncnc3sc4c(c32)CCCC4)cc1C ZINC000003307087 210003070 /nfs/dbraw/zinc/00/30/70/210003070.db2.gz SWKQWPITGSVLMX-UHFFFAOYSA-N 0 0 337.448 4.439 50 0 EIAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2C2CC2)cc1 ZINC000067259742 215129274 /nfs/dbraw/zinc/12/92/74/215129274.db2.gz CBCWPHTVEGMIPZ-UHFFFAOYSA-N 0 0 328.462 4.394 50 0 EIAARN CC(C)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 ZINC000067319236 215132380 /nfs/dbraw/zinc/13/23/80/215132380.db2.gz LGNVQSJCRHBUSR-GOSISDBHSA-N 0 0 331.843 4.102 50 0 EIAARN O=C(NCc1ccccc1Cl)Nc1nc(-c2ccccn2)cs1 ZINC000043394357 213580259 /nfs/dbraw/zinc/58/02/59/213580259.db2.gz GQDJYKAPKYKNNI-UHFFFAOYSA-N 0 0 344.827 4.180 50 0 EIAARN CC(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003272280 209995651 /nfs/dbraw/zinc/99/56/51/209995651.db2.gz SJRPVQLUBVTHOM-UHFFFAOYSA-N 0 0 328.412 4.273 50 0 EIAARN CSc1nnc(SCc2nc3cc(Cl)ccc3n2C)s1 ZINC000043242342 213569313 /nfs/dbraw/zinc/56/93/13/213569313.db2.gz PTPTYRZCWRXJDS-UHFFFAOYSA-N 0 0 342.902 4.092 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000043174881 213567324 /nfs/dbraw/zinc/56/73/24/213567324.db2.gz QGCQGROXUXRUNW-UHFFFAOYSA-N 0 0 328.199 4.262 50 0 EIAARN CC[C@H](C(=O)OCC(=O)c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000003240084 209986813 /nfs/dbraw/zinc/98/68/13/209986813.db2.gz REVQOWGJGJBPAG-INIZCTEOSA-N 0 0 348.345 4.208 50 0 EIAARN COc1ccc(N(C(=O)c2cc3c(s2)CCOC3)C(C)C)cc1F ZINC000103008253 219247533 /nfs/dbraw/zinc/24/75/33/219247533.db2.gz YIFFXBNXOQLEMF-UHFFFAOYSA-N 0 0 349.427 4.024 50 0 EIAARN CCOC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000003243356 209986437 /nfs/dbraw/zinc/98/64/37/209986437.db2.gz PWQBNORHHUXDQR-SDNWHVSQSA-N 0 0 348.402 4.124 50 0 EIAARN O=C(COc1ccccc1OC(=O)c1ccccc1)c1ccccc1 ZINC000003190023 209974716 /nfs/dbraw/zinc/97/47/16/209974716.db2.gz AFTOCDUWOPJERZ-UHFFFAOYSA-N 0 0 332.355 4.168 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc3ccccc32)cc1 ZINC000003172821 209972243 /nfs/dbraw/zinc/97/22/43/209972243.db2.gz IKXQMGKMCKSBRQ-UHFFFAOYSA-N 0 0 325.433 4.282 50 0 EIAARN Cc1ccc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nn1 ZINC000067613958 215169854 /nfs/dbraw/zinc/16/98/54/215169854.db2.gz QKXBQELWJXBUGF-UHFFFAOYSA-N 0 0 338.798 4.434 50 0 EIAARN Cc1ccc(N2C[C@H](C(=O)Nc3cccc4ccccc43)CC2=O)cc1 ZINC000003115809 209964229 /nfs/dbraw/zinc/96/42/29/209964229.db2.gz GOXJMNMDBAZONN-QGZVFWFLSA-N 0 0 344.414 4.140 50 0 EIAARN CCc1ncc2c(n1)CN(C(=O)c1ccc(-c3ccc(C)cc3)cc1)C2 ZINC000067674981 215180738 /nfs/dbraw/zinc/18/07/38/215180738.db2.gz HDKJXIVCSRSEAG-UHFFFAOYSA-N 0 0 343.430 4.170 50 0 EIAARN O=C(Nc1cnc2n1CCCC2)c1ccccc1OCc1ccccc1 ZINC000067713419 215190710 /nfs/dbraw/zinc/19/07/10/215190710.db2.gz DJPFGYWQOSINCS-UHFFFAOYSA-N 0 0 347.418 4.051 50 0 EIAARN CCSCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003000943 209953069 /nfs/dbraw/zinc/95/30/69/209953069.db2.gz JZJZIUTWFMLPSC-UHFFFAOYSA-N 0 0 345.308 4.207 50 0 EIAARN Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1ccccc1O ZINC000067756973 215204145 /nfs/dbraw/zinc/20/41/45/215204145.db2.gz QKQJQZAVIAVWKS-UHFFFAOYSA-N 0 0 348.402 4.126 50 0 EIAARN COc1cccc(OC)c1OCCCOc1c(C)ccc(C)c1C ZINC000002983819 209949101 /nfs/dbraw/zinc/94/91/01/209949101.db2.gz NWROSKJQAPLTPU-UHFFFAOYSA-N 0 0 330.424 4.477 50 0 EIAARN CCCc1cc(CN(C)C(=O)c2cccc(-c3ccc(O)cc3)c2)[nH]n1 ZINC000067769945 215207859 /nfs/dbraw/zinc/20/78/59/215207859.db2.gz VFFRREHNGCRQMS-UHFFFAOYSA-N 0 0 349.434 4.007 50 0 EIAARN O=C(NCCSc1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000002948457 209945205 /nfs/dbraw/zinc/94/52/05/209945205.db2.gz ZXGAXZKYMWCECP-UHFFFAOYSA-N 0 0 348.880 4.472 50 0 EIAARN CC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@H](c2cc(C(C)(C)C)n[nH]2)C1 ZINC000067758171 215206612 /nfs/dbraw/zinc/20/66/12/215206612.db2.gz HDPNZBMYYAYRQI-NXHRZFHOSA-N 0 0 347.503 4.012 50 0 EIAARN COc1ccccc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000002924608 209942315 /nfs/dbraw/zinc/94/23/15/209942315.db2.gz UNAIIYVVHNOCGP-MRXNPFEDSA-N 0 0 336.218 4.149 50 0 EIAARN Cc1ccc(C)c(NC(=O)Nc2nnc(N3CCCC[C@@H]3C)s2)c1 ZINC000002908360 209940343 /nfs/dbraw/zinc/94/03/43/209940343.db2.gz NOGREBXIIDGVMS-ZDUSSCGKSA-N 0 0 345.472 4.178 50 0 EIAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(c1nccs1)CCO2 ZINC000067842168 215227091 /nfs/dbraw/zinc/22/70/91/215227091.db2.gz PXEHRQUITZUNPA-UHFFFAOYSA-N 0 0 338.432 4.223 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000002869172 209931417 /nfs/dbraw/zinc/93/14/17/209931417.db2.gz NXVFGAINMOLINW-UHFFFAOYSA-N 0 0 341.304 4.479 50 0 EIAARN CCCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1OC ZINC000002864526 209929896 /nfs/dbraw/zinc/92/98/96/209929896.db2.gz NIGKZUMXBPBFHD-UHFFFAOYSA-N 0 0 347.842 4.458 50 0 EIAARN COc1cc(C)ccc1S(=O)(=O)Oc1c(Cl)cccc1Cl ZINC000002836254 209925471 /nfs/dbraw/zinc/92/54/71/209925471.db2.gz LRGBCZUEPYGPOP-UHFFFAOYSA-N 0 0 347.219 4.078 50 0 EIAARN CCc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)o1 ZINC000067886620 215242296 /nfs/dbraw/zinc/24/22/96/215242296.db2.gz VQXSREPJBWVPGC-LBPRGKRZSA-N 0 0 345.393 4.465 50 0 EIAARN COc1cccc(OCc2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000002751731 209901968 /nfs/dbraw/zinc/90/19/68/209901968.db2.gz ICFBCWXJUOHZKL-UHFFFAOYSA-N 0 0 339.435 4.337 50 0 EIAARN CCOc1ccc(C(=O)Nc2nc3c(cc(F)cc3F)s2)cc1 ZINC000002714024 209893986 /nfs/dbraw/zinc/89/39/86/209893986.db2.gz PDRKNGUQULEIDX-UHFFFAOYSA-N 0 0 334.347 4.226 50 0 EIAARN CCCCOc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1 ZINC000041156719 213428500 /nfs/dbraw/zinc/42/85/00/213428500.db2.gz UOBYZUANXTWTRZ-UHFFFAOYSA-N 0 0 341.451 4.291 50 0 EIAARN O[C@H](Cn1cnc2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000002690001 209890467 /nfs/dbraw/zinc/89/04/67/209890467.db2.gz XLVGAHBIKRURIJ-MRXNPFEDSA-N 0 0 341.414 4.205 50 0 EIAARN O=C(OC1c2ccccc2-c2ccccc21)[C@H]1COc2ccccc2O1 ZINC000002624840 209875347 /nfs/dbraw/zinc/87/53/47/209875347.db2.gz VMSNSMZSBHXOAS-HXUWFJFHSA-N 0 0 344.366 4.140 50 0 EIAARN Cc1nnc(NC(=O)CSc2cc(C)ccc2C(C)(C)C)s1 ZINC000002504101 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CCc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)C2=O ZINC000002212604 209830623 /nfs/dbraw/zinc/83/06/23/209830623.db2.gz APSDNHILMKVJBP-QFIPXVFZSA-N 0 0 333.431 4.267 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)NCCc3cccs3)ccc2c1 ZINC000068741084 215329983 /nfs/dbraw/zinc/32/99/83/215329983.db2.gz RCEFOSMISLXMES-CQSZACIVSA-N 0 0 339.460 4.372 50 0 EIAARN Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c2n[nH]cc21 ZINC000069046472 215356332 /nfs/dbraw/zinc/35/63/32/215356332.db2.gz CDECAKKJKJNOBU-ZYHUDNBSSA-N 0 0 325.334 4.179 50 0 EIAARN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc2ccccc21 ZINC000040721372 213374844 /nfs/dbraw/zinc/37/48/44/213374844.db2.gz NOFLJKXPSONMRP-OAQYLSRUSA-N 0 0 344.414 4.107 50 0 EIAARN CCCCc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 ZINC000002049735 209815015 /nfs/dbraw/zinc/81/50/15/209815015.db2.gz XTBTZBHSFFSWAU-UHFFFAOYSA-N 0 0 326.465 4.464 50 0 EIAARN CCC[C@H](c1ccccn1)N(C)C(=O)c1csc(-c2ccco2)n1 ZINC000069348778 215382485 /nfs/dbraw/zinc/38/24/85/215382485.db2.gz 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ZINC000037541453 213154363 /nfs/dbraw/zinc/15/43/63/213154363.db2.gz VCBFATLNUAUEBL-UHFFFAOYSA-N 0 0 342.464 4.146 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCCC2 ZINC000000483648 209629145 /nfs/dbraw/zinc/62/91/45/209629145.db2.gz PVNDHXPJHKAYGP-UHFFFAOYSA-N 0 0 347.436 4.347 50 0 EIAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)CCC3)cc(C)c1Cl ZINC000000484268 209629252 /nfs/dbraw/zinc/62/92/52/209629252.db2.gz HLNFEOMKSLBYDL-UHFFFAOYSA-N 0 0 329.827 4.463 50 0 EIAARN CCn1c(Sc2nc3ccccc3s2)nnc1-c1ccco1 ZINC000037132441 213134574 /nfs/dbraw/zinc/13/45/74/213134574.db2.gz DQHILLROLGTFII-UHFFFAOYSA-N 0 0 328.422 4.319 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c2c1 ZINC000000457473 209612659 /nfs/dbraw/zinc/61/26/59/209612659.db2.gz ILJCFVGMRRJACE-OAHLLOKOSA-N 0 0 333.387 4.280 50 0 EIAARN Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000000451900 209609405 /nfs/dbraw/zinc/60/94/05/209609405.db2.gz BDHODAABNLQWFB-JTQLQIEISA-N 0 0 325.195 4.103 50 0 EIAARN Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036621092 213105130 /nfs/dbraw/zinc/10/51/30/213105130.db2.gz KXASZUBCBJHIQL-QGZVFWFLSA-N 0 0 335.856 4.174 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000036620496 213104887 /nfs/dbraw/zinc/10/48/87/213104887.db2.gz FSBYAUNUMKLGHL-IBGZPJMESA-N 0 0 327.399 4.131 50 0 EIAARN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cc(C)c(C)cc1C ZINC000036620762 213104676 /nfs/dbraw/zinc/10/46/76/213104676.db2.gz GJIACFDNMSGRAR-LJQANCHMSA-N 0 0 343.492 4.446 50 0 EIAARN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036621091 213104433 /nfs/dbraw/zinc/10/44/33/213104433.db2.gz KXASZUBCBJHIQL-KRWDZBQOSA-N 0 0 335.856 4.174 50 0 EIAARN CCOCCCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000036613468 213102009 /nfs/dbraw/zinc/10/20/09/213102009.db2.gz QVMBRVJZOJBRAD-UHFFFAOYSA-N 0 0 325.334 4.059 50 0 EIAARN Cc1ccc(-c2cc(C(F)(F)F)nc(NC[C@H]3CCCO3)n2)cc1 ZINC000036613417 213102111 /nfs/dbraw/zinc/10/21/11/213102111.db2.gz QULQWOFFYLMUCO-CYBMUJFWSA-N 0 0 337.345 4.062 50 0 EIAARN Cc1ccc(-c2cc(C(F)(F)F)nc(NC[C@@H]3CCCO3)n2)cc1 ZINC000036613416 213101568 /nfs/dbraw/zinc/10/15/68/213101568.db2.gz QULQWOFFYLMUCO-ZDUSSCGKSA-N 0 0 337.345 4.062 50 0 EIAARN CCn1cc(C(=O)N2CCc3cc(F)c(F)cc32)c2ccccc21 ZINC000036394670 213097309 /nfs/dbraw/zinc/09/73/09/213097309.db2.gz BUQGXVHAUIAFGU-UHFFFAOYSA-N 0 0 326.346 4.142 50 0 EIAARN O=C(CCC1CCCC1)NCc1ccc(OCc2cccnc2)cc1 ZINC000036394594 213097194 /nfs/dbraw/zinc/09/71/94/213097194.db2.gz DTIAVNJAMIRKEA-UHFFFAOYSA-N 0 0 338.451 4.247 50 0 EIAARN CC(C)c1nc2cc(-n3c(=O)c4ccccc4[nH]c3=S)ccc2o1 ZINC000036395233 213096587 /nfs/dbraw/zinc/09/65/87/213096587.db2.gz HTWVLUCJPFPDCC-UHFFFAOYSA-N 0 0 337.404 4.313 50 0 EIAARN O=C(c1ccccc1)N(Cc1cccc(Br)c1)C1CC1 ZINC000036393474 213096137 /nfs/dbraw/zinc/09/61/37/213096137.db2.gz LPSDURCJAQDWSB-UHFFFAOYSA-N 0 0 330.225 4.254 50 0 EIAARN CCOCc1ccccc1CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000036392374 213096148 /nfs/dbraw/zinc/09/61/48/213096148.db2.gz RLUSGOJLEGMZBF-HXUWFJFHSA-N 0 0 338.451 4.100 50 0 EIAARN COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2cccs2)cc1 ZINC000036360607 213090760 /nfs/dbraw/zinc/09/07/60/213090760.db2.gz YPSIPMZCPCPUTJ-ZDUSSCGKSA-N 0 0 325.393 4.066 50 0 EIAARN O=C(Nc1ccccn1)c1cc2occc2n1Cc1ccc(F)cc1 ZINC000036360162 213090105 /nfs/dbraw/zinc/09/01/05/213090105.db2.gz FWLBWIPTPNISOO-UHFFFAOYSA-N 0 0 335.338 4.069 50 0 EIAARN Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc4[nH]ccc4c3)c12 ZINC000036360260 213089966 /nfs/dbraw/zinc/08/99/66/213089966.db2.gz WGVNXXRBSWYHSS-UHFFFAOYSA-N 0 0 334.379 4.388 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1cncc(-c2ccccc2Cl)c1 ZINC000036346902 213085797 /nfs/dbraw/zinc/08/57/97/213085797.db2.gz NALYWKGWIDKMAJ-UHFFFAOYSA-N 0 0 340.785 4.471 50 0 EIAARN Cc1ccc(NC(=O)N2CCC[C@H](OCc3cccc(F)c3)C2)cc1 ZINC000036315838 213084033 /nfs/dbraw/zinc/08/40/33/213084033.db2.gz HLGSEEJXONEPFR-IBGZPJMESA-N 0 0 342.414 4.347 50 0 EIAARN Cc1ccc(CO[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000036314762 213083441 /nfs/dbraw/zinc/08/34/41/213083441.db2.gz MEHFOKHKTHWRBR-LJQANCHMSA-N 0 0 343.854 4.470 50 0 EIAARN CC(C)CN(Cc1csc(COc2ccccc2)n1)C(=O)C(C)C ZINC000036114398 213070590 /nfs/dbraw/zinc/07/05/90/213070590.db2.gz OCRYVYAWEGTRKN-UHFFFAOYSA-N 0 0 346.496 4.363 50 0 EIAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(C)=O ZINC000036114681 213070343 /nfs/dbraw/zinc/07/03/43/213070343.db2.gz ZRFUEZJKGYEKAC-AWEZNQCLSA-N 0 0 332.469 4.178 50 0 EIAARN Cc1ccccc1OCc1nc(CN(C(=O)C(C)C)C2CC2)cs1 ZINC000036114861 213070400 /nfs/dbraw/zinc/07/04/00/213070400.db2.gz MFGPAPJOQYXXKC-UHFFFAOYSA-N 0 0 344.480 4.178 50 0 EIAARN CC(=O)c1cn(CCC(=O)Nc2cccc3[nH]ccc32)c2ccccc12 ZINC000070666645 215703723 /nfs/dbraw/zinc/70/37/23/215703723.db2.gz UJVQDEOEXVCZSB-UHFFFAOYSA-N 0 0 345.402 4.354 50 0 biogenic EIAARN Cc1nnc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)s1 ZINC000036093652 213062545 /nfs/dbraw/zinc/06/25/45/213062545.db2.gz GAEAFGOIRINUFV-UHFFFAOYSA-N 0 0 329.425 4.206 50 0 EIAARN O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)C1CCC1 ZINC000035912957 213051444 /nfs/dbraw/zinc/05/14/44/213051444.db2.gz LNKMKNITXRCFEX-UHFFFAOYSA-N 0 0 339.873 4.222 50 0 EIAARN O=C(C1CCCC1)N1CCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000035818543 213050424 /nfs/dbraw/zinc/05/04/24/213050424.db2.gz MFVCOMPWGMOTIU-SFHVURJKSA-N 0 0 328.843 4.263 50 0 EIAARN C[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2cccc(Cl)c2)no1 ZINC000035845082 213050446 /nfs/dbraw/zinc/05/04/46/213050446.db2.gz ZWURVVXANAORAA-JTQLQIEISA-N 0 0 345.761 4.020 50 0 EIAARN COC(=O)c1ccccc1Sc1ncnc2sc3c(c21)CCC3 ZINC000035800583 213049656 /nfs/dbraw/zinc/04/96/56/213049656.db2.gz WGEXBAPSKNAGNZ-UHFFFAOYSA-N 0 0 342.445 4.118 50 0 EIAARN Cc1ccnc(NC(=O)c2csc(-c3cc4ccccc4n3C)n2)c1 ZINC000035598456 213042013 /nfs/dbraw/zinc/04/20/13/213042013.db2.gz WFJFPASHDCNBOG-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN O=C(C(c1ccccc1)c1ccccc1)N1CCOC12CCCCC2 ZINC000035671200 213044943 /nfs/dbraw/zinc/04/49/43/213044943.db2.gz LHIWJPXPUISSHI-UHFFFAOYSA-N 0 0 335.447 4.338 50 0 EIAARN CCCCSc1nnc(C)c2cnn(-c3ccccc3OC)c21 ZINC000035596841 213040598 /nfs/dbraw/zinc/04/05/98/213040598.db2.gz OACMPGYFLUUECE-UHFFFAOYSA-N 0 0 328.441 4.025 50 0 EIAARN CC[C@H](C)NC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1 ZINC000035562331 213038945 /nfs/dbraw/zinc/03/89/45/213038945.db2.gz IBMFFTTZODHLJH-AWEZNQCLSA-N 0 0 349.434 4.257 50 0 EIAARN Cc1nc2nc3c(c(Nc4ccc(C)c(Cl)c4)n2n1)CCCC3 ZINC000035556481 213038041 /nfs/dbraw/zinc/03/80/41/213038041.db2.gz CQULKSGNXSZBJW-UHFFFAOYSA-N 0 0 327.819 4.017 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)c3ccc(F)c(Cl)c3)c2)no1 ZINC000035539567 213037710 /nfs/dbraw/zinc/03/77/10/213037710.db2.gz QUMKFRMUIJIGNB-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN CC(C)(C)NC(=O)N1CCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000035516136 213034941 /nfs/dbraw/zinc/03/49/41/213034941.db2.gz TXIITESUEBXDKR-MRXNPFEDSA-N 0 0 331.847 4.055 50 0 EIAARN CN(C)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000000434334 209598363 /nfs/dbraw/zinc/59/83/63/209598363.db2.gz KQCYGVUXUDXVEO-UHFFFAOYSA-N 0 0 330.431 4.272 50 0 EIAARN COc1ccccc1NC(=O)c1c(C)onc1-c1cccc(F)c1 ZINC000035536608 213036205 /nfs/dbraw/zinc/03/62/05/213036205.db2.gz IKOQBHTYDCIOJR-UHFFFAOYSA-N 0 0 326.327 4.050 50 0 EIAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccc(F)cc2F)cc1 ZINC000035536170 213035965 /nfs/dbraw/zinc/03/59/65/213035965.db2.gz NLCZNOBUMLCUMM-UHFFFAOYSA-N 0 0 344.317 4.189 50 0 EIAARN Cc1cc([C@@H]2CCCN2Cc2ccc(F)c(Br)c2)on1 ZINC000035511243 213035562 /nfs/dbraw/zinc/03/55/62/213035562.db2.gz BQPCXLQFOBVBHY-AWEZNQCLSA-N 0 0 339.208 4.222 50 0 EIAARN COc1ccccc1C(=O)N1CCn2cccc2[C@@H]1c1ccc(C)cc1 ZINC000035418579 213025885 /nfs/dbraw/zinc/02/58/85/213025885.db2.gz VHTNQPXJQHQINZ-NRFANRHFSA-N 0 0 346.430 4.051 50 0 EIAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(Br)s1 ZINC000071282336 215752010 /nfs/dbraw/zinc/75/20/10/215752010.db2.gz MALXIBOXQREVQK-MRVPVSSYSA-N 0 0 340.246 4.412 50 0 EIAARN O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2cnn(C3CCCC3)c2N1 ZINC000071282290 215752193 /nfs/dbraw/zinc/75/21/93/215752193.db2.gz WIGJVKGDSPOEED-LBPRGKRZSA-N 0 0 331.803 4.481 50 0 EIAARN COc1ccc(NC=C2N=C(c3cccc4ccccc43)OC2=O)cc1 ZINC000000431259 209597661 /nfs/dbraw/zinc/59/76/61/209597661.db2.gz GJZTUTYROVIWBE-CPNJWEJPSA-N 0 0 344.370 4.105 50 0 EIAARN O=C(Nc1c(Cc2ccccc2)nc2ccccn21)c1ccc(F)cc1 ZINC000034913080 212998759 /nfs/dbraw/zinc/99/87/59/212998759.db2.gz HVIICMSLWXXMLJ-UHFFFAOYSA-N 0 0 345.377 4.317 50 0 EIAARN COC(=O)c1c(NC(=O)/C=C\c2cccs2)sc2c1CCCC2 ZINC000035058275 213007274 /nfs/dbraw/zinc/00/72/74/213007274.db2.gz QJKVBYKATKCJEL-HJWRWDBZSA-N 0 0 347.461 4.127 50 0 EIAARN Cc1cccc(NC(=O)N2CCc3c(c4cc(F)ccc4n3C)C2)c1 ZINC000034928504 213001513 /nfs/dbraw/zinc/00/15/13/213001513.db2.gz NBQMJVXJQDJTGP-UHFFFAOYSA-N 0 0 337.398 4.216 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000034867694 212992568 /nfs/dbraw/zinc/99/25/68/212992568.db2.gz WQTKINSRLOIMFR-MELADBBJSA-N 0 0 328.378 4.476 50 0 EIAARN O=C(CSc1ccccc1)Nc1c(-c2ccco2)nc2ccccn21 ZINC000034912628 212997497 /nfs/dbraw/zinc/99/74/97/212997497.db2.gz FECPWODLLFSLHA-UHFFFAOYSA-N 0 0 349.415 4.325 50 0 EIAARN COc1ccccc1-c1n[nH]c(C2CC2)c1NC(=O)c1ccccc1 ZINC000034796282 212988534 /nfs/dbraw/zinc/98/85/34/212988534.db2.gz NIAZIVXVHHIQOV-UHFFFAOYSA-N 0 0 333.391 4.215 50 0 EIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1cccc(C)c1C ZINC000033086161 212896490 /nfs/dbraw/zinc/89/64/90/212896490.db2.gz KYQOUJCVWPJDCQ-UHFFFAOYSA-N 0 0 334.423 4.321 50 0 EIAARN CCOc1ccc(N2C(=O)CC(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000032985324 212883689 /nfs/dbraw/zinc/88/36/89/212883689.db2.gz WZIGZBXSFGBOJW-UHFFFAOYSA-N 0 0 343.810 4.176 50 0 EIAARN O=C(N[C@@H](Cc1ccccc1)Cc1ccc(F)cc1)c1cccs1 ZINC000032949354 212879676 /nfs/dbraw/zinc/87/96/76/212879676.db2.gz KZKIQUPIMDKQOA-SFHVURJKSA-N 0 0 339.435 4.471 50 0 EIAARN O=C(c1c(F)cccc1F)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032904460 212866417 /nfs/dbraw/zinc/86/64/17/212866417.db2.gz YXJJEVRPKDKPJN-UHFFFAOYSA-N 0 0 338.357 4.376 50 0 EIAARN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCc1cscn1 ZINC000071899363 215941383 /nfs/dbraw/zinc/94/13/83/215941383.db2.gz WTNWVAKZULRSKI-UHFFFAOYSA-N 0 0 345.468 4.007 50 0 EIAARN CC(C)NC(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 ZINC000032656429 212824315 /nfs/dbraw/zinc/82/43/15/212824315.db2.gz YWRFDHNUGVFCFQ-UHFFFAOYSA-N 0 0 331.460 4.059 50 0 EIAARN COCc1nn2c(nccc2-c2ccc(OC)cc2)c1-c1ccccc1 ZINC000072119314 216013859 /nfs/dbraw/zinc/01/38/59/216013859.db2.gz IMIGUCCNIKYJNP-UHFFFAOYSA-N 0 0 345.402 4.218 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2)n1 ZINC000032026083 212783114 /nfs/dbraw/zinc/78/31/14/212783114.db2.gz VDKKYPZMMQCTMN-UHFFFAOYSA-N 0 0 342.402 4.115 50 0 EIAARN CN(Cc1cc(-c2ccccc2)no1)Cc1c[nH]c2cc(=O)ccc-2c1 ZINC000072127310 216018092 /nfs/dbraw/zinc/01/80/92/216018092.db2.gz BEXDBASACBTXBK-UHFFFAOYSA-N 0 0 345.402 4.227 50 0 EIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccccc1C(F)(F)F ZINC000072140620 216027635 /nfs/dbraw/zinc/02/76/35/216027635.db2.gz ONRKRWKATNSOJQ-NSHDSACASA-N 0 0 337.345 4.131 50 0 EIAARN COc1cc(OC)c(CN2CCCCC[C@@H]2c2ccco2)c(OC)c1 ZINC000072135330 216023618 /nfs/dbraw/zinc/02/36/18/216023618.db2.gz OQFCYEJTGYWOPS-QGZVFWFLSA-N 0 0 345.439 4.423 50 0 EIAARN Fc1cc2cccnc2c(CSc2nnc(C3CC3)n2C2CC2)c1 ZINC000031617439 212740097 /nfs/dbraw/zinc/74/00/97/212740097.db2.gz HMYCNIFAGXPBIV-UHFFFAOYSA-N 0 0 340.427 4.470 50 0 EIAARN O=C(Nc1ccccc1-c1ccccc1)N1CC(c2ccncc2)C1 ZINC000072168544 216058737 /nfs/dbraw/zinc/05/87/37/216058737.db2.gz NGOZCBMOUGLRMS-UHFFFAOYSA-N 0 0 329.403 4.380 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)n1C ZINC000031381382 212732509 /nfs/dbraw/zinc/73/25/09/212732509.db2.gz NJRHRBLWPRYZKN-KRWDZBQOSA-N 0 0 332.447 4.284 50 0 EIAARN CCOc1ccccc1NC(=O)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000072238568 216077455 /nfs/dbraw/zinc/07/74/55/216077455.db2.gz KZLPBJBFJIAUPB-UHFFFAOYSA-N 0 0 343.766 4.097 50 0 EIAARN Clc1ccc(Cc2nn3c(Cc4ccccc4)nnc3s2)cc1 ZINC000000385269 209563741 /nfs/dbraw/zinc/56/37/41/209563741.db2.gz KGUCDRWQDGRFEA-UHFFFAOYSA-N 0 0 340.839 4.021 50 0 EIAARN Clc1ccc(Cc2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000000384954 209563763 /nfs/dbraw/zinc/56/37/63/209563763.db2.gz UQHUNOOLIDMBDY-UHFFFAOYSA-N 0 0 326.812 4.097 50 0 EIAARN O=c1c2ccccc2nc(C(Cl)(Cl)Cl)n1-c1ccccc1 ZINC000000368740 209554885 /nfs/dbraw/zinc/55/48/85/209554885.db2.gz IHKIXGXDXVZDEO-UHFFFAOYSA-N 0 0 339.609 4.212 50 0 EIAARN COC(=O)c1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 ZINC000000382414 209560830 /nfs/dbraw/zinc/56/08/30/209560830.db2.gz IOZWRQMAQAOQRO-HXUWFJFHSA-N 0 0 347.418 4.234 50 0 EIAARN Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000000358538 209550159 /nfs/dbraw/zinc/55/01/59/209550159.db2.gz RXSUACICCJIAIB-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN Cc1ccc(OCC(=O)Nc2nc3c(cccc3C)s2)c(C)c1 ZINC000000364794 209553459 /nfs/dbraw/zinc/55/34/59/209553459.db2.gz LGMCWVLUOFKRAH-UHFFFAOYSA-N 0 0 326.421 4.239 50 0 EIAARN CCc1ccc(C(=O)c2ccc(I)cc2)cc1 ZINC000036941431 213126362 /nfs/dbraw/zinc/12/63/62/213126362.db2.gz JDTBTYRMJKNYRB-UHFFFAOYSA-N 0 0 336.172 4.085 50 0 EIAARN Cc1ccccc1OCC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000363607 209552589 /nfs/dbraw/zinc/55/25/89/209552589.db2.gz NOFYPGABQDGMRG-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN Cc1cccc2sc(NC(=O)c3cncc(Br)c3)nc21 ZINC000000364199 209551888 /nfs/dbraw/zinc/55/18/88/209551888.db2.gz RIXILMWHUNKGQE-UHFFFAOYSA-N 0 0 348.225 4.015 50 0 EIAARN O=C(Oc1cccc2c(OC(=O)c3ccco3)cccc12)c1ccco1 ZINC000000348794 209544492 /nfs/dbraw/zinc/54/44/92/209544492.db2.gz PJSZUCXAZKLIES-UHFFFAOYSA-N 0 0 348.310 4.464 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccccc3)cc2)cc1 ZINC000000346665 209543150 /nfs/dbraw/zinc/54/31/50/209543150.db2.gz YLDMIQSGZIOSKW-UHFFFAOYSA-N 0 0 331.371 4.467 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000000311732 209530735 /nfs/dbraw/zinc/53/07/35/209530735.db2.gz NEWXDKBPJVFIOR-UHFFFAOYSA-N 0 0 343.688 4.340 50 0 EIAARN CC(C)OCc1ccccc1CNC(=O)c1ccccc1OC(F)F ZINC000030368281 212696404 /nfs/dbraw/zinc/69/64/04/212696404.db2.gz ZSYKDNKSFSNLIU-UHFFFAOYSA-N 0 0 349.377 4.143 50 0 EIAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)cc1OC ZINC000000285885 209518408 /nfs/dbraw/zinc/51/84/08/209518408.db2.gz HBCRLHZCIKXVTG-UHFFFAOYSA-N 0 0 340.375 4.103 50 0 biogenic EIAARN C[C@@H]1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCO1 ZINC000029789748 212681221 /nfs/dbraw/zinc/68/12/21/212681221.db2.gz XDVUENIRPFWESX-CYBMUJFWSA-N 0 0 349.352 4.233 50 0 EIAARN CSc1ccsc1C(=O)Nc1cc(Cl)ccc1NC(C)=O ZINC000107135033 219747117 /nfs/dbraw/zinc/74/71/17/219747117.db2.gz YBMATNXIDOYFHW-UHFFFAOYSA-N 0 0 340.857 4.334 50 0 EIAARN CCOCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000072297750 216136428 /nfs/dbraw/zinc/13/64/28/216136428.db2.gz NSRNTPRAEFIYBS-MRXNPFEDSA-N 0 0 342.439 4.165 50 0 EIAARN C[C@@H]1CCCN(C(=O)c2c3c(sc2-n2cccc2)CCCC3)C1 ZINC000029509760 212671191 /nfs/dbraw/zinc/67/11/91/212671191.db2.gz VONGUDKHHJTQCL-CQSZACIVSA-N 0 0 328.481 4.290 50 0 EIAARN Cc1nc2ccccc2n1C[C@H](O)COc1ccc([C@H]2C=CCC2)cc1 ZINC000000253552 209505099 /nfs/dbraw/zinc/50/50/99/209505099.db2.gz PHVULJJAKOZNEN-HKUYNNGSSA-N 0 0 348.446 4.218 50 0 EIAARN CC(C)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000072328209 216152217 /nfs/dbraw/zinc/15/22/17/216152217.db2.gz VVMCLAGDKIWFBN-UHFFFAOYSA-N 0 0 337.398 4.269 50 0 EIAARN C[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)c1ccccc1 ZINC000072328866 216152289 /nfs/dbraw/zinc/15/22/89/216152289.db2.gz XJBPWHKQKZGNRB-LBPRGKRZSA-N 0 0 325.799 4.221 50 0 EIAARN CCc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000072329181 216153265 /nfs/dbraw/zinc/15/32/65/216153265.db2.gz YUWGHLAEPNRBPJ-ZDUSSCGKSA-N 0 0 337.398 4.269 50 0 EIAARN CCCOc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000072331463 216155036 /nfs/dbraw/zinc/15/50/36/216155036.db2.gz XZPQAZJQMRPABT-UHFFFAOYSA-N 0 0 348.240 4.168 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1c(C)cccc1Cl)c1ccccc1 ZINC000072333747 216156372 /nfs/dbraw/zinc/15/63/72/216156372.db2.gz MIGUEDYAKZPLEY-OAHLLOKOSA-N 0 0 345.826 4.324 50 0 EIAARN CCOc1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000000240194 209499280 /nfs/dbraw/zinc/49/92/80/209499280.db2.gz FXRBJXSYHUBYJP-SFHVURJKSA-N 0 0 341.480 4.404 50 0 biogenic EIAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(Br)c1 ZINC000029278404 212660061 /nfs/dbraw/zinc/66/00/61/212660061.db2.gz WGXAOGIDYWXTTC-UHFFFAOYSA-N 0 0 342.196 4.092 50 0 EIAARN CN(C(=O)/C=C/c1ccc2c(c1)CCO2)[C@H]1CCCc2ccccc21 ZINC000029258993 212659998 /nfs/dbraw/zinc/65/99/98/212659998.db2.gz ROULEBTXPKPSKH-XETPZZHUSA-N 0 0 333.431 4.171 50 0 EIAARN COc1ccc(OC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 ZINC000029083353 212651049 /nfs/dbraw/zinc/65/10/49/212651049.db2.gz PRLIWVKWSNPJFH-UHFFFAOYSA-N 0 0 341.338 4.028 50 0 EIAARN Cc1ccccc1CSc1nc2c3ccccc3[nH]c2c(=O)n1C ZINC000000213995 209487939 /nfs/dbraw/zinc/48/79/39/209487939.db2.gz SWNBJELAZWFUEX-UHFFFAOYSA-N 0 0 335.432 4.016 50 0 EIAARN O=C(NCC1(c2ccccc2)CCCC1)c1ccc(Br)o1 ZINC000000186083 209471777 /nfs/dbraw/zinc/47/17/77/209471777.db2.gz NDEJWVRHGZZGFX-UHFFFAOYSA-N 0 0 348.240 4.284 50 0 EIAARN O=S(=O)(CCSc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000000170498 209462409 /nfs/dbraw/zinc/46/24/09/209462409.db2.gz UVOCPZUEEURHFL-UHFFFAOYSA-N 0 0 330.833 4.045 50 0 EIAARN COc1ccccc1NC(=O)CSc1nc2ccccc2s1 ZINC000000181621 209468672 /nfs/dbraw/zinc/46/86/72/209468672.db2.gz XYLJDLGREVWWAS-UHFFFAOYSA-N 0 0 330.434 4.036 50 0 EIAARN Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 ZINC000028685661 212630671 /nfs/dbraw/zinc/63/06/71/212630671.db2.gz CAAUHARMVJAHTF-UHFFFAOYSA-N 0 0 336.416 4.306 50 0 EIAARN CCCc1cc(C(=O)NC2(c3noc(C)n3)CCCCC2)sc1C ZINC000028617228 212627489 /nfs/dbraw/zinc/62/74/89/212627489.db2.gz FADQECJXMVQCKU-UHFFFAOYSA-N 0 0 347.484 4.290 50 0 EIAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1 ZINC000000168916 209461442 /nfs/dbraw/zinc/46/14/42/209461442.db2.gz VAJRYPIRUMVUAY-UHFFFAOYSA-N 0 0 348.431 4.351 50 0 EIAARN Cc1ccc2c(ccn2CC(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000072405107 216195583 /nfs/dbraw/zinc/19/55/83/216195583.db2.gz YZDFXOGIVUTEFX-UHFFFAOYSA-N 0 0 348.431 4.107 50 0 EIAARN COc1cccc([C@H]2CC(=O)Nc3c2cnn3Cc2cccs2)c1 ZINC000072404322 216195904 /nfs/dbraw/zinc/19/59/04/216195904.db2.gz QLOPEDLSOYXFPE-OAHLLOKOSA-N 0 0 339.420 4.125 50 0 EIAARN Cn1cccc1CNC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000072405523 216196570 /nfs/dbraw/zinc/19/65/70/216196570.db2.gz FHRFJSQZKDXECA-UHFFFAOYSA-N 0 0 338.354 4.189 50 0 EIAARN Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc4[nH]ccc43)c12 ZINC000072405664 216196661 /nfs/dbraw/zinc/19/66/61/216196661.db2.gz OYGRBMGYYLVOCM-UHFFFAOYSA-N 0 0 334.379 4.388 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)COc1cccc(Cl)c1 ZINC000000148558 209451525 /nfs/dbraw/zinc/45/15/25/209451525.db2.gz FGXSTBHDBKBKAH-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN COc1ccc(OC)c(NC(=O)COc2ccccc2C(C)(C)C)c1 ZINC000000133618 209442174 /nfs/dbraw/zinc/44/21/74/209442174.db2.gz SDJYFXPJSZNOHP-UHFFFAOYSA-N 0 0 343.423 4.019 50 0 EIAARN O=C(NCc1csc(-c2cccs2)n1)c1cccc(Cl)c1 ZINC000000131558 209440423 /nfs/dbraw/zinc/44/04/23/209440423.db2.gz VSCTZXZUWPMLAB-UHFFFAOYSA-N 0 0 334.853 4.455 50 0 EIAARN Cc1nc(C)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)s1 ZINC000000121824 209435683 /nfs/dbraw/zinc/43/56/83/209435683.db2.gz KUZBBWBWXMVPRR-UHFFFAOYSA-N 0 0 325.315 4.496 50 0 EIAARN O=C1C[C@H](c2ccccc2Br)c2cc3c(cc2N1)CCC3 ZINC000000107506 209425593 /nfs/dbraw/zinc/42/55/93/209425593.db2.gz QTENOYQQWACHHU-CQSZACIVSA-N 0 0 342.236 4.412 50 0 EIAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2n1 ZINC000000108976 209426879 /nfs/dbraw/zinc/42/68/79/209426879.db2.gz PGTFNOFNCGJFDD-UHFFFAOYSA-N 0 0 331.828 4.401 50 0 EIAARN CN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000000067805 209398049 /nfs/dbraw/zinc/39/80/49/209398049.db2.gz XDWAFJDXCQHXTH-UHFFFAOYSA-N 0 0 344.414 4.240 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCC2 ZINC000000066998 209398139 /nfs/dbraw/zinc/39/81/39/209398139.db2.gz DHTDFCDNRZFJHO-UHFFFAOYSA-N 0 0 343.448 4.364 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)c1sc2ccccc2c1Cl ZINC000000061838 209395354 /nfs/dbraw/zinc/39/53/54/209395354.db2.gz UQUCTANHHAXWHB-UHFFFAOYSA-N 0 0 345.807 4.213 50 0 EIAARN CCc1cc(NCc2ccc(F)cc2Cl)n2nc(C)c(C)c2n1 ZINC000072424546 216214779 /nfs/dbraw/zinc/21/47/79/216214779.db2.gz LXDGMHONRGVOOV-UHFFFAOYSA-N 0 0 332.810 4.313 50 0 EIAARN CSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C ZINC000000060904 209394650 /nfs/dbraw/zinc/39/46/50/209394650.db2.gz QZQHBBHCYWZBTR-UHFFFAOYSA-N 0 0 325.437 4.014 50 0 EIAARN COc1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000054748 209392988 /nfs/dbraw/zinc/39/29/88/209392988.db2.gz WBAIYLLFWHIBLC-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN COC(=O)c1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000053051 209391304 /nfs/dbraw/zinc/39/13/04/209391304.db2.gz QWQABDQXMSDRSZ-WCQYABFASA-N 0 0 342.222 4.003 50 0 EIAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1C(C)(C)C ZINC000000051839 209389990 /nfs/dbraw/zinc/38/99/90/209389990.db2.gz YOCUHIGZJJBCGD-QGZVFWFLSA-N 0 0 327.453 4.270 50 0 EIAARN CCC(=O)N[C@@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl ZINC000000046627 209389468 /nfs/dbraw/zinc/38/94/68/209389468.db2.gz KOZHRSWSBHYCNH-CQSZACIVSA-N 0 0 345.657 4.474 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000000048079 209389475 /nfs/dbraw/zinc/38/94/75/209389475.db2.gz ZHUILJKDYWDYNU-UHFFFAOYSA-N 0 0 341.407 4.004 50 0 EIAARN Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2)c(C)c1 ZINC000000048256 209389492 /nfs/dbraw/zinc/38/94/92/209389492.db2.gz XQNWVQTYQUGPJM-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000000048278 209389498 /nfs/dbraw/zinc/38/94/98/209389498.db2.gz XHIANXTZRXDSLD-UHFFFAOYSA-N 0 0 337.419 4.357 50 0 EIAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]3c3ccco3)cc2)n1 ZINC000072429777 216222371 /nfs/dbraw/zinc/22/23/71/216222371.db2.gz FFYAMKGJPOFFOQ-IBGZPJMESA-N 0 0 349.434 4.119 50 0 EIAARN CC[C@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn21)c1ccccn1 ZINC000072433246 216228499 /nfs/dbraw/zinc/22/84/99/216228499.db2.gz ASTRKPJBGFBVLP-INIZCTEOSA-N 0 0 347.397 4.494 50 0 EIAARN Cn1c(C(=O)N2CCCC[C@@H]2c2ccccn2)ccc1-c1ccccc1 ZINC000072447984 216237239 /nfs/dbraw/zinc/23/72/39/216237239.db2.gz KMECDHCZTIDQJF-HXUWFJFHSA-N 0 0 345.446 4.455 50 0 EIAARN Cc1nc(C)c(-c2cc(NCc3cccnc3)nc3[nH]ccc32)s1 ZINC000072458180 216244374 /nfs/dbraw/zinc/24/43/74/216244374.db2.gz VRMPWAUOPFLTLK-UHFFFAOYSA-N 0 0 335.436 4.310 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)N1CCO[C@H](c2ccccc2)C1 ZINC000027898556 212583941 /nfs/dbraw/zinc/58/39/41/212583941.db2.gz XFHNNONLDUXODF-NRFANRHFSA-N 0 0 348.446 4.091 50 0 EIAARN Cc1noc(C)c1CS[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000072751098 216302151 /nfs/dbraw/zinc/30/21/51/216302151.db2.gz UVGHXLAMGTYCCD-GOSISDBHSA-N 0 0 344.480 4.278 50 0 EIAARN O=C(C[C@@H]1C=CCC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000025910455 212500858 /nfs/dbraw/zinc/50/08/58/212500858.db2.gz JKPZOIDHCSJDSS-CABCVRRESA-N 0 0 342.464 4.165 50 0 EIAARN O=C(Nc1cc(Cl)cc2cccnc21)c1cnc2ccccc2n1 ZINC000025600504 212489567 /nfs/dbraw/zinc/48/95/67/212489567.db2.gz OPGADVITJPGHIV-UHFFFAOYSA-N 0 0 334.766 4.084 50 0 EIAARN COc1cc(C(=O)Nc2cnc3ccccc3c2)cc(Cl)c1OC ZINC000025532301 212486451 /nfs/dbraw/zinc/48/64/51/212486451.db2.gz IEYWKAKFSOYFNJ-UHFFFAOYSA-N 0 0 342.782 4.158 50 0 EIAARN O=C(COc1ccc(Cl)cc1)OCc1csc(-c2ccco2)n1 ZINC000025460100 212483553 /nfs/dbraw/zinc/48/35/53/212483553.db2.gz JCSSIJYVCZWZJC-UHFFFAOYSA-N 0 0 349.795 4.179 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000025426440 212481391 /nfs/dbraw/zinc/48/13/91/212481391.db2.gz OAGAQNLWBQPAJO-HNNXBMFYSA-N 0 0 339.439 4.029 50 0 EIAARN Cc1cc(C)cc(C2=CCN(C(=O)N[C@H]3CCOC(C)(C)C3)CC2)c1 ZINC000131980761 223289661 /nfs/dbraw/zinc/28/96/61/223289661.db2.gz SBRVEWGQNUSKAD-IBGZPJMESA-N 0 0 342.483 4.060 50 0 EIAARN NC(=O)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000024889206 212446131 /nfs/dbraw/zinc/44/61/31/212446131.db2.gz LEJIHWVWCVVXSV-CYBMUJFWSA-N 0 0 334.853 4.268 50 0 EIAARN O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1CC1 ZINC000024833371 212442113 /nfs/dbraw/zinc/44/21/13/212442113.db2.gz MSXGBZQWWSZCOG-UHFFFAOYSA-N 0 0 340.551 4.052 50 0 EIAARN Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3F)sc2c1 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C[C@H](CNC(=O)CSc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000023264065 212365169 /nfs/dbraw/zinc/36/51/69/212365169.db2.gz QKWSWWIKDDOKFW-GFCCVEGCSA-N 0 0 337.847 4.491 50 0 EIAARN Cc1csc([C@@H](NC(=O)NC2(c3ccccc3F)CC2)C2CC2)n1 ZINC000074669517 216508435 /nfs/dbraw/zinc/50/84/35/216508435.db2.gz LRWBISHARUHIIO-HNNXBMFYSA-N 0 0 345.443 4.030 50 0 EIAARN C[C@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1 ZINC000023079233 212346364 /nfs/dbraw/zinc/34/63/64/212346364.db2.gz QGRSQOIMEXUHRM-NSHDSACASA-N 0 0 345.449 4.059 50 0 EIAARN CC(C)(C)C1CCC(C(=O)Oc2ccc(-c3nnco3)cc2)CC1 ZINC000023006007 212341797 /nfs/dbraw/zinc/34/17/97/212341797.db2.gz DSFBVJZZBHMKSF-UHFFFAOYSA-N 0 0 328.412 4.495 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000022838246 212328288 /nfs/dbraw/zinc/32/82/88/212328288.db2.gz BJEJHSPBWNGJFK-UHFFFAOYSA-N 0 0 341.386 4.007 50 0 EIAARN CCCc1ccc([C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(C)C)cc1 ZINC000022847351 212327455 /nfs/dbraw/zinc/32/74/55/212327455.db2.gz JJJJNAVJWWZSHB-IBGZPJMESA-N 0 0 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O=C(C[C@H]1C=CCC1)N[C@@H]1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000022332128 212291031 /nfs/dbraw/zinc/29/10/31/212291031.db2.gz DOAFZPJYYZERDX-QWHCGFSZSA-N 0 0 328.843 4.151 50 0 EIAARN COc1ccccc1NC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000022192338 212281612 /nfs/dbraw/zinc/28/16/12/212281612.db2.gz UGMYRIXPMANUEV-UHFFFAOYSA-N 0 0 339.313 4.026 50 0 EIAARN C[C@@H](Sc1n[nH]c(-c2ccccc2O)n1)c1ncc(C(C)(C)C)o1 ZINC000194586419 240638344 /nfs/dbraw/zinc/63/83/44/240638344.db2.gz GCPWVKQETQZIPH-SNVBAGLBSA-N 0 0 344.440 4.316 50 0 EIAARN Cc1c2cccc(C)c2n(C)c1C(=O)N(C)[C@@H](c1ccccn1)C1CC1 ZINC000215081966 241106463 /nfs/dbraw/zinc/10/64/63/241106463.db2.gz MVLBIVJDFRVVSF-OAQYLSRUSA-N 0 0 347.462 4.413 50 0 EIAARN CSc1ccccc1C(=O)N(Cc1cccs1)C1CCOCC1 ZINC000206674122 241047306 /nfs/dbraw/zinc/04/73/06/241047306.db2.gz DTEQPZPBPYJBSE-UHFFFAOYSA-N 0 0 347.505 4.291 50 0 EIAARN Cc1ccccc1CCC(=O)NCc1cncc(-c2ccsc2)c1 ZINC000206945214 241055497 /nfs/dbraw/zinc/05/54/97/241055497.db2.gz OGWRFMCANMPLMP-UHFFFAOYSA-N 0 0 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O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000021791446 212250066 /nfs/dbraw/zinc/25/00/66/212250066.db2.gz XHGFJWDJINQRMV-GOSISDBHSA-N 0 0 336.366 4.458 50 0 EIAARN Cc1cnccc1CNC(=O)CCc1ccc(-c2ccccc2)cc1 ZINC000223599221 241670138 /nfs/dbraw/zinc/67/01/38/241670138.db2.gz GAIDKWNGSJCCTM-UHFFFAOYSA-N 0 0 330.431 4.306 50 0 EIAARN Cc1ccc(NC(=O)CCSc2nc3nc(C)ccc3o2)c(C)c1 ZINC000021724034 212245376 /nfs/dbraw/zinc/24/53/76/212245376.db2.gz XKQSLBGUDIRSPL-UHFFFAOYSA-N 0 0 341.436 4.269 50 0 EIAARN COc1cc(CN2CCC[C@H]2c2cc(C)on2)ccc1OCC(C)C ZINC000021720318 212245224 /nfs/dbraw/zinc/24/52/24/212245224.db2.gz CCUHHXZYYOLMCV-SFHVURJKSA-N 0 0 344.455 4.364 50 0 EIAARN C[C@@H](C1CC1)n1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cn1 ZINC000225551975 241924785 /nfs/dbraw/zinc/92/47/85/241924785.db2.gz REGRFAAJAQGOST-GXFFZTMASA-N 0 0 344.381 4.049 50 0 EIAARN C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1ccccc1Cl ZINC000225604355 241949156 /nfs/dbraw/zinc/94/91/56/241949156.db2.gz VVDUXHKDUATKFJ-GFCCVEGCSA-N 0 0 330.815 4.028 50 0 EIAARN COc1ccc(C(C)(C)C(=O)OCc2cc(C)cc(Cl)n2)cc1 ZINC000225857327 242064888 /nfs/dbraw/zinc/06/48/88/242064888.db2.gz DGWWAACAXPMAKM-UHFFFAOYSA-N 0 0 333.815 4.073 50 0 EIAARN Fc1cncc(-c2cnc(NCc3ccc(Cl)c(F)c3)nc2)c1 ZINC000225745302 242014319 /nfs/dbraw/zinc/01/43/19/242014319.db2.gz HVJJFHCJADKZQH-UHFFFAOYSA-N 0 0 332.741 4.082 50 0 EIAARN CC(C)[C@@H](C(=O)NC[C@H](C)Sc1ccccc1)c1ccncc1 ZINC000225749350 242016431 /nfs/dbraw/zinc/01/64/31/242016431.db2.gz CNHFHXXIQKDOJJ-MAUKXSAKSA-N 0 0 328.481 4.118 50 0 EIAARN Cc1ccccc1[C@@H](C)CNC(=O)c1cc(-c2cccs2)on1 ZINC000227155285 242123930 /nfs/dbraw/zinc/12/39/30/242123930.db2.gz FVRLPBDHCCRLBL-ZDUSSCGKSA-N 0 0 326.421 4.245 50 0 EIAARN CCOC(=O)c1cnc(Nc2cc(C)ccc2OC)c2ccccc12 ZINC000021650156 212237322 /nfs/dbraw/zinc/23/73/22/212237322.db2.gz RPCRJGDTOBXWEL-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN CCc1cc([C@H]2CCCN2C(=O)c2cc(F)c(F)cc2Cl)on1 ZINC000021719555 212244349 /nfs/dbraw/zinc/24/43/49/212244349.db2.gz NGLROYYRYHQXQB-CQSZACIVSA-N 0 0 340.757 4.146 50 0 EIAARN CCc1cc([C@@H]2CCCN2C(=O)c2cc(F)c(F)cc2Cl)on1 ZINC000021719553 212243980 /nfs/dbraw/zinc/24/39/80/212243980.db2.gz NGLROYYRYHQXQB-AWEZNQCLSA-N 0 0 340.757 4.146 50 0 EIAARN CCOc1ccc(CN2CCC[C@@H]2c2cc(C)on2)cc1OCC ZINC000021720327 212243692 /nfs/dbraw/zinc/24/36/92/212243692.db2.gz JMSLIKIUDVCYLT-QGZVFWFLSA-N 0 0 330.428 4.118 50 0 EIAARN CCCOc1ccc(OC(=O)c2sc3ccccc3c2N)cc1 ZINC000021716454 212243130 /nfs/dbraw/zinc/24/31/30/212243130.db2.gz JUFPJGQBVHGIAU-UHFFFAOYSA-N 0 0 327.405 4.492 50 0 EIAARN CC(C)CCNC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000021707663 212241781 /nfs/dbraw/zinc/24/17/81/212241781.db2.gz FHXWZTHNMNRJCA-UHFFFAOYSA-N 0 0 335.407 4.180 50 0 EIAARN Cc1nc(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cs1 ZINC000021530708 212229972 /nfs/dbraw/zinc/22/99/72/212229972.db2.gz JVTVMXKGZNWLIN-UHFFFAOYSA-N 0 0 349.415 4.441 50 0 EIAARN O=C(Nc1ccccc1Br)c1ncoc1-c1cccs1 ZINC000021641693 212236106 /nfs/dbraw/zinc/23/61/06/212236106.db2.gz 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/nfs/dbraw/zinc/20/42/59/212204259.db2.gz JUEFTSYXMXLVNW-ZDUSSCGKSA-N 0 0 344.480 4.246 50 0 EIAARN Cc1c(C[NH2+]Cc2ccc(C)cc2)c(C(=O)[O-])c(C)n1-c1ccccc1 ZINC000021025676 212200546 /nfs/dbraw/zinc/20/05/46/212200546.db2.gz XTXXXMRBMBCNJT-UHFFFAOYSA-N 0 0 348.446 4.391 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccc(C)c(F)c1 ZINC000021020497 212200576 /nfs/dbraw/zinc/20/05/76/212200576.db2.gz JSFLMHIEKSZVNA-UHFFFAOYSA-N 0 0 339.370 4.419 50 0 EIAARN O=C(C[C@@H](c1cccc(F)c1)n1cccc1)Nc1ccc(F)cc1 ZINC000020998070 212198407 /nfs/dbraw/zinc/19/84/07/212198407.db2.gz NLVOYAMDBKLSIN-SFHVURJKSA-N 0 0 326.346 4.385 50 0 EIAARN Cc1cccc([C@@H](CC(=O)NCCc2ccccc2)n2cccc2)c1 ZINC000020999045 212197156 /nfs/dbraw/zinc/19/71/56/212197156.db2.gz FONFMQZZMVLHSR-OAQYLSRUSA-N 0 0 332.447 4.135 50 0 EIAARN Cc1cccc([C@@H](CC(=O)N2CCc3ccccc3C2)n2cccc2)c1 ZINC000020999002 212197216 /nfs/dbraw/zinc/19/72/16/212197216.db2.gz KZTGDNHAGIEDEB-JOCHJYFZSA-N 0 0 344.458 4.361 50 0 EIAARN COc1ccc(CNC(=O)C[C@@H](c2ccc(C)cc2)n2cccc2)cc1 ZINC000020997872 212196773 /nfs/dbraw/zinc/19/67/73/212196773.db2.gz TTYVWJBOGQQOMC-NRFANRHFSA-N 0 0 348.446 4.101 50 0 EIAARN O=C(C[C@@H](c1ccc(F)cc1)n1cccc1)Nc1ccccc1F ZINC000020997704 212196354 /nfs/dbraw/zinc/19/63/54/212196354.db2.gz IXZGKDXIMVUHKJ-SFHVURJKSA-N 0 0 326.346 4.385 50 0 EIAARN Cc1ccn(CCn2ccc(-c3cccc(-c4cnccc4C)c3)n2)n1 ZINC000020920429 212188678 /nfs/dbraw/zinc/18/86/78/212188678.db2.gz TXUIGNZBWZDCCA-UHFFFAOYSA-N 0 0 343.434 4.126 50 0 EIAARN Cc1nnc([C@H](C)N2CCC(Oc3ccc(C)c(C)c3)CC2)s1 ZINC000241338660 242988674 /nfs/dbraw/zinc/98/86/74/242988674.db2.gz MCVKBSHGJBSYKP-AWEZNQCLSA-N 0 0 331.485 4.068 50 0 EIAARN Cc1cccc(C)c1NC(=O)N(C)CCCOCc1ccccc1 ZINC000242001089 243007792 /nfs/dbraw/zinc/00/77/92/243007792.db2.gz VCWXWKSOBMYNAR-UHFFFAOYSA-N 0 0 326.440 4.374 50 0 EIAARN COc1cccc(-c2noc(-c3ccccc3Br)n2)c1 ZINC000020867728 212179021 /nfs/dbraw/zinc/17/90/21/212179021.db2.gz ZUTKTKQFURAJBT-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN Cc1oc2c(c1C(=O)N[C@@H](CC(C)C)c1cccnc1)C(=O)CCC2 ZINC000244718855 243067625 /nfs/dbraw/zinc/06/76/25/243067625.db2.gz LSERIRNHPJRPSG-HNNXBMFYSA-N 0 0 340.423 4.019 50 0 EIAARN CCCC1(CCC)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000020795120 212172119 /nfs/dbraw/zinc/17/21/19/212172119.db2.gz OUHNQFZFXCGINC-UHFFFAOYSA-N 0 0 342.361 4.096 50 0 EIAARN CCc1cc(C(=O)OC)c(NC(=O)c2cc3c(s2)CCCC3)s1 ZINC000020606461 212153810 /nfs/dbraw/zinc/15/38/10/212153810.db2.gz OTFRFDRCLQUTMK-UHFFFAOYSA-N 0 0 349.477 4.290 50 0 EIAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccccc3)cc(C(F)F)c12 ZINC000020603593 212152910 /nfs/dbraw/zinc/15/29/10/212152910.db2.gz JSWMKDHYYMJMSR-UHFFFAOYSA-N 0 0 345.374 4.394 50 0 EIAARN COC(=O)c1cc(-c2ccccc2F)nc2onc(-c3ccccc3)c21 ZINC000020605194 212152749 /nfs/dbraw/zinc/15/27/49/212152749.db2.gz PRYFGUXFDWFJKD-UHFFFAOYSA-N 0 0 348.333 4.483 50 0 EIAARN O=C(CCC(F)(F)F)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000020543236 212146161 /nfs/dbraw/zinc/14/61/61/212146161.db2.gz GGXHSAAZNLCFEU-ZDUSSCGKSA-N 0 0 349.343 4.479 50 0 EIAARN Cc1oc(-c2ccc(F)cc2F)nc1CN(C)Cc1nccs1 ZINC000020538046 212144335 /nfs/dbraw/zinc/14/43/35/212144335.db2.gz GZBOUUXJYJRUEH-UHFFFAOYSA-N 0 0 335.379 4.017 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)N[C@@H](C)c3ccccc3)c1CO2 ZINC000020510095 212141844 /nfs/dbraw/zinc/14/18/44/212141844.db2.gz JYRPOPTYSRMDCS-ZDUSSCGKSA-N 0 0 334.375 4.033 50 0 EIAARN CC(C)c1cc(CN(C)C(=O)CSc2ccc(Cl)cc2)on1 ZINC000252497505 243814880 /nfs/dbraw/zinc/81/48/80/243814880.db2.gz QJPZJCRGFCXVFI-UHFFFAOYSA-N 0 0 338.860 4.202 50 0 EIAARN Cc1nc(NC(=O)Cc2noc3ccccc23)c(-c2ccccc2)s1 ZINC000253423891 243960979 /nfs/dbraw/zinc/96/09/79/243960979.db2.gz LFIXYMSFGMHHPE-UHFFFAOYSA-N 0 0 349.415 4.441 50 0 EIAARN Cc1ccc(-c2ccc(Cl)cc2NC(=O)Cc2cccnc2)o1 ZINC000253432373 243989386 /nfs/dbraw/zinc/98/93/86/243989386.db2.gz YBVOPGJUGPNMRV-UHFFFAOYSA-N 0 0 326.783 4.485 50 0 EIAARN C=C1C(Nc2ccccc2F)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465659 212134447 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Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1c(F)cccc1F ZINC000020294471 212116322 /nfs/dbraw/zinc/11/63/22/212116322.db2.gz DONMCAHXENZBFA-UHFFFAOYSA-N 0 0 341.361 4.079 50 0 EIAARN Cc1nc2nc(C)cc(Nc3cc(C(F)(F)F)ccc3Cl)n2n1 ZINC000020156543 212107686 /nfs/dbraw/zinc/10/76/86/212107686.db2.gz KTIQDWHEDBEPHJ-UHFFFAOYSA-N 0 0 341.724 4.157 50 0 EIAARN O=C(C1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020149592 212106702 /nfs/dbraw/zinc/10/67/02/212106702.db2.gz SOGUJCHIIYGCNK-UHFFFAOYSA-N 0 0 348.490 4.110 50 0 EIAARN C[C@@H]1C[C@H](C)CN([C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000020108382 212101157 /nfs/dbraw/zinc/10/11/57/212101157.db2.gz DAHVBUUUGZCMAQ-ZRGWGRIASA-N 0 0 348.918 4.418 50 0 EIAARN Cc1cccc2nc(C(=O)N3CCCC[C@@H]3c3cccc(F)c3)cn21 ZINC000077353815 216880163 /nfs/dbraw/zinc/88/01/63/216880163.db2.gz NRFMYEFBLSGVID-GOSISDBHSA-N 0 0 337.398 4.149 50 0 EIAARN COc1cccc([C@@H]2CCCCN2C(=O)c2cccc(N(C)C)c2)c1 ZINC000077342900 216875912 /nfs/dbraw/zinc/87/59/12/216875912.db2.gz DKJMNZLZVCRPPM-FQEVSTJZSA-N 0 0 338.451 4.129 50 0 EIAARN CN(Cc1cccc2ncccc12)C(=O)CCc1ccc(F)c(F)c1 ZINC000077357338 216881782 /nfs/dbraw/zinc/88/17/82/216881782.db2.gz PTRMNVLAZFMCCT-UHFFFAOYSA-N 0 0 340.373 4.104 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]3c3cc(C)on3)c2c1 ZINC000077356521 216882268 /nfs/dbraw/zinc/88/22/68/216882268.db2.gz GEBUVSWUZFICTH-HXUWFJFHSA-N 0 0 349.434 4.379 50 0 EIAARN Cc1ccc2nc(N(C)Cc3cc(-c4ccncc4)no3)sc2c1 ZINC000077358123 216883544 /nfs/dbraw/zinc/88/35/44/216883544.db2.gz QYTWBRZFNMMICL-UHFFFAOYSA-N 0 0 336.420 4.291 50 0 EIAARN COc1cc2ncnc(SCc3ccc(F)cc3)c2cc1OC ZINC000019956999 212089673 /nfs/dbraw/zinc/08/96/73/212089673.db2.gz SADWYNQRFRBKHU-UHFFFAOYSA-N 0 0 330.384 4.078 50 0 EIAARN O=C1CS[C@H](c2cccc(Br)c2)N1C1CCCCC1 ZINC000019927454 212085015 /nfs/dbraw/zinc/08/50/15/212085015.db2.gz HZKBQWJUJRBRJK-OAHLLOKOSA-N 0 0 340.286 4.356 50 0 EIAARN CCc1ccc([C@H]2SCC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000019927155 212084916 /nfs/dbraw/zinc/08/49/16/212084916.db2.gz WPJUZAACUWEKAF-LJQANCHMSA-N 0 0 327.449 4.032 50 0 EIAARN CN(C)c1ccccc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077408081 216898008 /nfs/dbraw/zinc/89/80/08/216898008.db2.gz PGQHLROQUCACDN-SFHVURJKSA-N 0 0 326.415 4.259 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000019852281 212076193 /nfs/dbraw/zinc/07/61/93/212076193.db2.gz HJIDFIGOTQJNRG-CYBMUJFWSA-N 0 0 333.391 4.417 50 0 EIAARN CNc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2ccccc2)s1 ZINC000077538413 216931443 /nfs/dbraw/zinc/93/14/43/216931443.db2.gz SGIBPFLHNDNZLY-INIZCTEOSA-N 0 0 343.496 4.121 50 0 EIAARN CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1C ZINC000019736769 212059558 /nfs/dbraw/zinc/05/95/58/212059558.db2.gz CPVBPROXDWRAPQ-ZFWWWQNUSA-N 0 0 326.440 4.497 50 0 EIAARN Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000019736341 212058383 /nfs/dbraw/zinc/05/83/83/212058383.db2.gz SEEIQZQZELWCIO-CQSZACIVSA-N 0 0 326.440 4.281 50 0 EIAARN CO[C@@H](C)c1cccc(NC(=O)N[C@H](CCCO)c2ccccc2)c1 ZINC000077699140 216957133 /nfs/dbraw/zinc/95/71/33/216957133.db2.gz PEPAMKLFSZSISP-HNAYVOBHSA-N 0 0 342.439 4.029 50 0 EIAARN O=C(NCc1ccccc1F)Nc1ccccc1SC(F)F ZINC000043552768 213588080 /nfs/dbraw/zinc/58/80/80/213588080.db2.gz FXNBSBPGUIVTGM-UHFFFAOYSA-N 0 0 326.343 4.462 50 0 EIAARN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)c1nccs1 ZINC000078064875 217017003 /nfs/dbraw/zinc/01/70/03/217017003.db2.gz NFLLURUKTJLICR-SNVBAGLBSA-N 0 0 328.359 4.004 50 0 EIAARN COc1ccc([C@@H](NC(=O)[C@]2(C)CC2(Cl)Cl)C(C)C)cc1 ZINC000019310791 212014282 /nfs/dbraw/zinc/01/42/82/212014282.db2.gz SDDJWEPKPFNTFD-ZFWWWQNUSA-N 0 0 330.255 4.092 50 0 EIAARN Oc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 ZINC000019323950 212015415 /nfs/dbraw/zinc/01/54/15/212015415.db2.gz NYHYIUDGOIGOCH-UHFFFAOYSA-N 0 0 344.458 4.409 50 0 EIAARN CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(Cl)cc1)C2=O ZINC000019324062 212015207 /nfs/dbraw/zinc/01/52/07/212015207.db2.gz ZBQQIPKCOZHQCP-UHFFFAOYSA-N 0 0 346.902 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Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2cnn(C(C)C)c2n1 ZINC000010958257 211196530 /nfs/dbraw/zinc/19/65/30/211196530.db2.gz WCCRXRJNJQMHPG-UHFFFAOYSA-N 0 0 346.793 4.365 50 0 EIAARN O=C(CNc1ccccc1F)N[C@@H](c1cccs1)c1ccccc1 ZINC000011127166 211205869 /nfs/dbraw/zinc/20/58/69/211205869.db2.gz SUUOVSFIJUFVSR-LJQANCHMSA-N 0 0 340.423 4.205 50 0 EIAARN Cc1ccc(-c2nnc(SCCOc3ccccc3C)n2C)cc1 ZINC000011152929 211206014 /nfs/dbraw/zinc/20/60/14/211206014.db2.gz ARUJADFCQADZMV-UHFFFAOYSA-N 0 0 339.464 4.270 50 0 EIAARN O=C(NC1CC1)[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000011154975 211205145 /nfs/dbraw/zinc/20/51/45/211205145.db2.gz IVXHUADJXVFPDQ-MRXNPFEDSA-N 0 0 336.769 4.050 50 0 EIAARN O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1ccccc1 ZINC000010773352 211190624 /nfs/dbraw/zinc/19/06/24/211190624.db2.gz MZMYSVYROXVAJP-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN O[C@@H](CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 ZINC000010772022 211189941 /nfs/dbraw/zinc/18/99/41/211189941.db2.gz AZTVNYFLBPYDPA-AWEZNQCLSA-N 0 0 343.477 4.167 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/nfs/dbraw/zinc/16/99/37/211169937.db2.gz XCTZRKGMYNDKHU-UHFFFAOYSA-N 0 0 338.190 4.293 50 0 EIAARN COc1ccc2cc(CNC(=O)N[C@@H]3CCCC[C@H]3C)ccc2c1 ZINC000010370685 211168872 /nfs/dbraw/zinc/16/88/72/211168872.db2.gz RIGPJOMAPARALN-AUUYWEPGSA-N 0 0 326.440 4.226 50 0 EIAARN CCOc1cccc2cc(C(=O)Nc3ccccc3CC)c(=O)oc21 ZINC000010384431 211168695 /nfs/dbraw/zinc/16/86/95/211168695.db2.gz XAKGBCWCKMUQFD-UHFFFAOYSA-N 0 0 337.375 4.006 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2)c(C(F)(F)F)c1 ZINC000010641066 211181990 /nfs/dbraw/zinc/18/19/90/211181990.db2.gz KCRHGNBOFIPPNC-JXMROGBWSA-N 0 0 348.324 4.316 50 0 EIAARN O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccc(F)cc1Cl ZINC000010311023 211161354 /nfs/dbraw/zinc/16/13/54/211161354.db2.gz CHGAWYMDCBDXKC-QGZVFWFLSA-N 0 0 332.806 4.255 50 0 EIAARN CSc1ccccc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000010285737 211160455 /nfs/dbraw/zinc/16/04/55/211160455.db2.gz SXXODZAGBVNNBE-UHFFFAOYSA-N 0 0 328.462 4.290 50 0 EIAARN Cc1ccc(CNc2nccn(-c3cccc(Cl)c3C)c2=O)cc1 ZINC000010273151 211160377 /nfs/dbraw/zinc/16/03/77/211160377.db2.gz XYWNPWSQOZECAF-UHFFFAOYSA-N 0 0 339.826 4.115 50 0 EIAARN CC(C)Sc1ccc(C(=O)Nc2ncnc3sccc32)cc1 ZINC000010253336 211157550 /nfs/dbraw/zinc/15/75/50/211157550.db2.gz NLGVBNQSJCMWJP-UHFFFAOYSA-N 0 0 329.450 4.444 50 0 EIAARN O=C(c1ccccc1F)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000010254455 211156882 /nfs/dbraw/zinc/15/68/82/211156882.db2.gz RCNYFWHTRIMWDM-UHFFFAOYSA-N 0 0 326.371 4.078 50 0 EIAARN O=C(CCc1ccco1)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000010322514 211162509 /nfs/dbraw/zinc/16/25/09/211162509.db2.gz GQBRRLIPXNSFRC-UHFFFAOYSA-N 0 0 331.375 4.166 50 0 EIAARN Cc1ccc(OCc2nnc3sc(-c4cccc(C)c4)nn23)cc1 ZINC000010311948 211162370 /nfs/dbraw/zinc/16/23/70/211162370.db2.gz NFSJBOZGCSPFQY-UHFFFAOYSA-N 0 0 336.420 4.049 50 0 EIAARN C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)c1ccncc1 ZINC000010132606 211150625 /nfs/dbraw/zinc/15/06/25/211150625.db2.gz SXDSDHWPRXRBKN-KBPBESRZSA-N 0 0 333.435 4.179 50 0 EIAARN C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(C(C)(C)C)cc1 ZINC000010111909 211148281 /nfs/dbraw/zinc/14/82/81/211148281.db2.gz LURAPBBGKUNDAO-LIRRHRJNSA-N 0 0 339.435 4.001 50 0 EIAARN Cc1ccc(C(=O)N2CCCCCCC2)cc1NC(=O)c1ccco1 ZINC000010028967 211142206 /nfs/dbraw/zinc/14/22/06/211142206.db2.gz ZQPCAFTYQBWEDO-UHFFFAOYSA-N 0 0 340.423 4.247 50 0 EIAARN COc1ccc2cc(CNC(=O)[C@H](C)Oc3ccc(C)cc3)ccc2c1 ZINC000009935978 211135268 /nfs/dbraw/zinc/13/52/68/211135268.db2.gz OIVQWLVFGDQTOM-INIZCTEOSA-N 0 0 349.430 4.241 50 0 EIAARN Cc1cccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2O)CC3=O)c1 ZINC000009935887 211134525 /nfs/dbraw/zinc/13/45/25/211134525.db2.gz PHTKBTUGSMRLKB-CQSZACIVSA-N 0 0 345.402 4.147 50 0 EIAARN CC(=O)Nc1scc(-c2ccccc2)c1C(=O)N1CCCCCC1 ZINC000009943146 211134473 /nfs/dbraw/zinc/13/44/73/211134473.db2.gz LNHVMDPMXHRXJV-UHFFFAOYSA-N 0 0 342.464 4.390 50 0 EIAARN COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)cc1OC ZINC000009894962 211132051 /nfs/dbraw/zinc/13/20/51/211132051.db2.gz XRQMQPGFHHTUSP-YLZCUGDYSA-N 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AOJLISCPRTZFJN-UHFFFAOYSA-N 0 0 347.462 4.153 50 0 EIAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccco1 ZINC000009659969 211112407 /nfs/dbraw/zinc/11/24/07/211112407.db2.gz KGISXMLHZKDLGK-UHFFFAOYSA-N 0 0 349.317 4.444 50 0 EIAARN O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1cccnc1 ZINC000009659962 211112367 /nfs/dbraw/zinc/11/23/67/211112367.db2.gz YMVNXKRPIGMZKU-UHFFFAOYSA-N 0 0 342.354 4.107 50 0 biogenic EIAARN Cc1ccc(CSc2nccn(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000009639926 211110704 /nfs/dbraw/zinc/11/07/04/211110704.db2.gz KJOLKNLPIURQBA-UHFFFAOYSA-N 0 0 336.460 4.450 50 0 EIAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000009645919 211110465 /nfs/dbraw/zinc/11/04/65/211110465.db2.gz OJMAXBCNZLQOIF-SNVBAGLBSA-N 0 0 338.190 4.125 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009615210 211109778 /nfs/dbraw/zinc/10/97/78/211109778.db2.gz DMIHNQFVPJDYME-UHFFFAOYSA-N 0 0 330.746 4.090 50 0 EIAARN CCc1cccc2c(C(=O)C(=O)NCCCCc3ccccc3)c[nH]c21 ZINC000009615213 211109239 /nfs/dbraw/zinc/10/92/39/211109239.db2.gz YCZPEVOIMCOKBN-UHFFFAOYSA-N 0 0 348.446 4.052 50 0 EIAARN Fc1ccc(N2CCn3c(SCc4ccccc4F)nnc32)cc1 ZINC000009574098 211104121 /nfs/dbraw/zinc/10/41/21/211104121.db2.gz YCDSZSOPZHXXBJ-UHFFFAOYSA-N 0 0 344.390 4.000 50 0 EIAARN CC(C)CNC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000009531811 211100474 /nfs/dbraw/zinc/10/04/74/211100474.db2.gz CKYMNMPIWFKGSD-INIZCTEOSA-N 0 0 331.843 4.340 50 0 EIAARN Cc1ccc2c(C[NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)c(C(=O)[O-])n(C)c2c1 ZINC000009532809 211100146 /nfs/dbraw/zinc/10/01/46/211100146.db2.gz PDEALKVJTHNUOT-GRDNDAEWSA-N 0 0 328.456 4.099 50 0 EIAARN Cc1ccc(Cn2c(CO)cnc2SCc2cccc(C)c2)cc1 ZINC000009529053 211098357 /nfs/dbraw/zinc/09/83/57/211098357.db2.gz KLGRHWRHKUPXSR-UHFFFAOYSA-N 0 0 338.476 4.333 50 0 EIAARN Cc1ccc(C)c(CSc2ncc(CO)n2Cc2ccccc2)c1 ZINC000009529114 211098161 /nfs/dbraw/zinc/09/81/61/211098161.db2.gz OUCCUYAACFVEOK-UHFFFAOYSA-N 0 0 338.476 4.333 50 0 EIAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CCc1ccco1 ZINC000009466740 211087014 /nfs/dbraw/zinc/08/70/14/211087014.db2.gz VPWKGWCIBHNJSG-UHFFFAOYSA-N 0 0 345.402 4.474 50 0 EIAARN Cn1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc21 ZINC000009423578 211082968 /nfs/dbraw/zinc/08/29/68/211082968.db2.gz CMYSEJMXQDLNFK-UHFFFAOYSA-N 0 0 349.415 4.203 50 0 EIAARN COc1ccccc1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000009456303 211086296 /nfs/dbraw/zinc/08/62/96/211086296.db2.gz HGEQOWNMOJXCRO-MRXNPFEDSA-N 0 0 345.439 4.120 50 0 EIAARN FC(F)n1ccnc1CSc1nnc(NC2CCCCC2)s1 ZINC000009364805 211075941 /nfs/dbraw/zinc/07/59/41/211075941.db2.gz ORIGCIVLQFDUCA-UHFFFAOYSA-N 0 0 345.444 4.167 50 0 EIAARN CC(=O)Nc1ccc(N[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000009379212 211078464 /nfs/dbraw/zinc/07/84/64/211078464.db2.gz FKHNUXLSDGBWPS-CYBMUJFWSA-N 0 0 336.395 4.177 50 0 EIAARN COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1 ZINC000009357340 211074232 /nfs/dbraw/zinc/07/42/32/211074232.db2.gz ISTKTDUPVOFTJT-UHFFFAOYSA-N 0 0 334.297 4.477 50 0 EIAARN COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1 ZINC000009341793 211071360 /nfs/dbraw/zinc/07/13/60/211071360.db2.gz GZZSDOSAQLDACP-UHFFFAOYSA-N 0 0 333.391 4.144 50 0 EIAARN O=C(Cc1c(Cl)cccc1Cl)OCc1nc2ccccc2[nH]1 ZINC000009338267 211070843 /nfs/dbraw/zinc/07/08/43/211070843.db2.gz ZYNDUCANXMJMQT-UHFFFAOYSA-N 0 0 335.190 4.156 50 0 EIAARN Cc1ccc(-c2noc(CSc3ncnc4sccc43)n2)cc1 ZINC000009315130 211066947 /nfs/dbraw/zinc/06/69/47/211066947.db2.gz ZLBROHSOIVGZNS-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)(C)C ZINC000009307698 211065060 /nfs/dbraw/zinc/06/50/60/211065060.db2.gz UHXYDVLILPZPHP-UHFFFAOYSA-N 0 0 328.456 4.011 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2cc3c(cccc3F)s2)c1 ZINC000009314875 211064809 /nfs/dbraw/zinc/06/48/09/211064809.db2.gz XEPXSAPGUUXIBZ-UHFFFAOYSA-N 0 0 328.368 4.251 50 0 EIAARN Cc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3C)cc1 ZINC000009273238 211060741 /nfs/dbraw/zinc/06/07/41/211060741.db2.gz AWOZQMJIISUROH-UHFFFAOYSA-N 0 0 344.422 4.027 50 0 EIAARN O=C(CCc1nc2ccccc2o1)N1CC=C(c2ccccc2)CC1 ZINC000009256505 211060105 /nfs/dbraw/zinc/06/01/05/211060105.db2.gz YAXNOQHYCDHTIF-UHFFFAOYSA-N 0 0 332.403 4.076 50 0 EIAARN CC(C)CNC(=O)NCc1c2ccccc2n(C)c1-c1cccs1 ZINC000009211775 211052757 /nfs/dbraw/zinc/05/27/57/211052757.db2.gz WFXJSKCPPJZYSO-UHFFFAOYSA-N 0 0 341.480 4.362 50 0 EIAARN COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(F)cc2)cc1 ZINC000009204858 211052334 /nfs/dbraw/zinc/05/23/34/211052334.db2.gz PFIXLXJBDSEONI-UHFFFAOYSA-N 0 0 339.366 4.270 50 0 EIAARN O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1 ZINC000009196257 211052036 /nfs/dbraw/zinc/05/20/36/211052036.db2.gz NXBOQRLGBWRMQT-UHFFFAOYSA-N 0 0 341.798 4.351 50 0 EIAARN Cc1ccccc1C(=O)Nc1nnc(CCCc2ccccc2)s1 ZINC000009196692 211051640 /nfs/dbraw/zinc/05/16/40/211051640.db2.gz HLHCNTDQOMVTBK-UHFFFAOYSA-N 0 0 337.448 4.274 50 0 EIAARN O=C(COc1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1 ZINC000009204320 211051516 /nfs/dbraw/zinc/05/15/16/211051516.db2.gz VFYBRZUUZSOMOX-UHFFFAOYSA-N 0 0 345.395 4.088 50 0 EIAARN C=C1C(Nc2c(C)cccc2C)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000009228962 211056749 /nfs/dbraw/zinc/05/67/49/211056749.db2.gz RAKHVRJSMZYCSB-UHFFFAOYSA-N 0 0 344.411 4.028 50 0 EIAARN Cc1cc(C)c(-c2c(=O)c(=O)c2Nc2cccc(Cl)c2)cc1C ZINC000009224718 211055328 /nfs/dbraw/zinc/05/53/28/211055328.db2.gz MEUUTJBKEGERHF-UHFFFAOYSA-N 0 0 325.795 4.272 50 0 EIAARN CC(=O)NCCCCCc1nc2ccccc2n1CCc1ccccc1 ZINC000009184775 211049226 /nfs/dbraw/zinc/04/92/26/211049226.db2.gz SRZQEOKEJIURMX-UHFFFAOYSA-N 0 0 349.478 4.128 50 0 EIAARN O=C(Nc1nnc(CC2=CCCCC2)s1)Nc1ccc(F)cc1 ZINC000009170730 211048489 /nfs/dbraw/zinc/04/84/89/211048489.db2.gz YIFMHYHMVLMBEE-UHFFFAOYSA-N 0 0 332.404 4.364 50 0 EIAARN Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1C ZINC000009196530 211051416 /nfs/dbraw/zinc/05/14/16/211051416.db2.gz LQYHOVBYKLJOFV-UHFFFAOYSA-N 0 0 335.407 4.315 50 0 EIAARN COCCC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2C)C1 ZINC000095354154 218288047 /nfs/dbraw/zinc/28/80/47/218288047.db2.gz FNAAWIQDBRMKPO-CQSZACIVSA-N 0 0 343.389 4.293 50 0 EIAARN Fc1cccc(OCc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000009153937 211044709 /nfs/dbraw/zinc/04/47/09/211044709.db2.gz RWAHNMPZEQAJFX-UHFFFAOYSA-N 0 0 349.159 4.217 50 0 EIAARN O=c1c(=O)c(-c2ccc(Cl)cc2)c1N[C@@H]1CCCc2ccccc21 ZINC000009153086 211044442 /nfs/dbraw/zinc/04/44/42/211044442.db2.gz GJJJPRYICCCDFP-MRXNPFEDSA-N 0 0 337.806 4.093 50 0 EIAARN CCN1c2ccccc2Oc2ccc(NC(=O)C(C)(C)C)cc2C1=O ZINC000009134602 211043260 /nfs/dbraw/zinc/04/32/60/211043260.db2.gz KQGKJJYCEJEBJM-UHFFFAOYSA-N 0 0 338.407 4.444 50 0 EIAARN Fc1cccc(Nc2nc3nccnc3c(Nc3ccccc3)n2)c1 ZINC000009075220 211039061 /nfs/dbraw/zinc/03/90/61/211039061.db2.gz HIFRXQSCCLWTRE-UHFFFAOYSA-N 0 0 332.342 4.046 50 0 EIAARN C[C@@H](Cc1nnc(NC(=O)c2ccccc2F)s1)c1ccccc1 ZINC000009095393 211038903 /nfs/dbraw/zinc/03/89/03/211038903.db2.gz OSUVHGTYCXZOGQ-LBPRGKRZSA-N 0 0 341.411 4.276 50 0 EIAARN Cc1ccc(C)c([C@H](c2cccnc2)n2cc(-c3nccs3)nn2)c1 ZINC000095358082 218292333 /nfs/dbraw/zinc/29/23/33/218292333.db2.gz ZIAQVLSQWHNOCG-SFHVURJKSA-N 0 0 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349.415 4.097 50 0 EIAARN Cc1c(CSC(C)C)cccc1NC(=O)NC[C@@H]1CCCOC1 ZINC000173878931 257954406 /nfs/dbraw/zinc/95/44/06/257954406.db2.gz GJYLXYRNHVPQIU-HNNXBMFYSA-N 0 0 336.501 4.185 50 0 EIAARN O=C(Cc1c[nH]c2ncccc12)Nc1ccc(COC2CCCC2)cc1 ZINC000121350308 257974662 /nfs/dbraw/zinc/97/46/62/257974662.db2.gz QOBZGDWIJMMOAH-UHFFFAOYSA-N 0 0 349.434 4.203 50 0 EIAARN CC(C)CN(C)C(=O)c1cccc(-c2ccc(Cn3ccnc3)cc2)c1 ZINC000426421001 257968870 /nfs/dbraw/zinc/96/88/70/257968870.db2.gz AGPUYGCXPKOWFD-UHFFFAOYSA-N 0 0 347.462 4.326 50 0 EIAARN O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@H]2CCC[C@@H]2C1 ZINC000126069967 257972131 /nfs/dbraw/zinc/97/21/31/257972131.db2.gz QANXSWWAONEGPI-ZIAGYGMSSA-N 0 0 326.362 4.445 50 0 EIAARN CC(C)CCSc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000000986209 257928415 /nfs/dbraw/zinc/92/84/15/257928415.db2.gz ATHRKAKLDIYUCX-UHFFFAOYSA-N 0 0 332.498 4.356 50 0 EIAARN CC(C)(C(=O)N1CCC[C@H]1/C=C/c1ccccc1)C1CCOCC1 ZINC000376562106 257929336 /nfs/dbraw/zinc/92/93/36/257929336.db2.gz QCDQCUNXXCDIJB-VYENPZKTSA-N 0 0 327.468 4.144 50 0 EIAARN CSc1cccc(C)c1NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000374375624 257930266 /nfs/dbraw/zinc/93/02/66/257930266.db2.gz SLNOCUMFHNDKLX-OAHLLOKOSA-N 0 0 334.485 4.188 50 0 EIAARN Cc1cc2ncn([C@@H](C)c3nc([C@H]4CCOC4)cs3)c2cc1C ZINC000357726651 257931080 /nfs/dbraw/zinc/93/10/80/257931080.db2.gz HHWFARGNZSVECN-KBPBESRZSA-N 0 0 327.453 4.223 50 0 EIAARN Cc1cc2ncn([C@@H](C)c3nc([C@@H]4CCOC4)cs3)c2cc1C ZINC000357726656 257931179 /nfs/dbraw/zinc/93/11/79/257931179.db2.gz HHWFARGNZSVECN-UONOGXRCSA-N 0 0 327.453 4.223 50 0 EIAARN NC(=O)c1csc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1 ZINC000328587946 258045654 /nfs/dbraw/zinc/04/56/54/258045654.db2.gz KEOCIVUJQLMEEY-MRXNPFEDSA-N 0 0 348.427 4.424 50 0 EIAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000000588420 257976521 /nfs/dbraw/zinc/97/65/21/257976521.db2.gz NFJKZBDELJEFNL-CQSZACIVSA-N 0 0 343.423 4.235 50 0 EIAARN COc1cccc(Cl)c1CN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000330031738 258003017 /nfs/dbraw/zinc/00/30/17/258003017.db2.gz CMGZNLPEJWQOFR-OAHLLOKOSA-N 0 0 335.835 4.096 50 0 EIAARN CSc1cccc(NC(=O)CSc2nc3ccccc3o2)c1 ZINC000000097805 258047118 /nfs/dbraw/zinc/04/71/18/258047118.db2.gz SQPDSOQYMBZBFN-UHFFFAOYSA-N 0 0 330.434 4.281 50 0 EIAARN Cc1nc2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3ccccc3)cc2o1 ZINC000280379502 258014091 /nfs/dbraw/zinc/01/40/91/258014091.db2.gz MOHDZNAELYTYPN-QGZVFWFLSA-N 0 0 348.402 4.014 50 0 EIAARN Cc1ncsc1CCC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000299769156 258083247 /nfs/dbraw/zinc/08/32/47/258083247.db2.gz KFDSIFKJHXYEMY-RDJZCZTQSA-N 0 0 346.471 4.051 50 0 EIAARN Cc1cc(NC(=O)N(C)Cc2ccc(C)s2)n([C@@H](C)C2CC2)n1 ZINC000299776787 258086977 /nfs/dbraw/zinc/08/69/77/258086977.db2.gz CUZSOHFRHDOKQT-ZDUSSCGKSA-N 0 0 332.473 4.196 50 0 EIAARN COc1ccc(Cl)cc1-c1cccc(C(=O)NCC[C@H](C)OC)c1 ZINC000299784209 258092113 /nfs/dbraw/zinc/09/21/13/258092113.db2.gz GCRJVJMHFIUQHL-ZDUSSCGKSA-N 0 0 347.842 4.170 50 0 EIAARN O=C(CCc1ccc(O)cc1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000299786189 258093176 /nfs/dbraw/zinc/09/31/76/258093176.db2.gz WFJCRFXPNUSSOO-QGZVFWFLSA-N 0 0 343.854 4.384 50 0 EIAARN O=C(c1ccncc1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 ZINC000299796139 258100418 /nfs/dbraw/zinc/10/04/18/258100418.db2.gz NIHUCOGKHHAWLN-UHFFFAOYSA-N 0 0 336.435 4.065 50 0 EIAARN Cc1cccc([C@H](NC(=O)CCc2ccccc2Cl)C2CC2)n1 ZINC000299802482 258105512 /nfs/dbraw/zinc/10/55/12/258105512.db2.gz WZHDVWCXLLJRTK-LJQANCHMSA-N 0 0 328.843 4.244 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Cl)n1 ZINC000001386132 258049015 /nfs/dbraw/zinc/04/90/15/258049015.db2.gz PTMICSFELCJSKO-UHFFFAOYSA-N 0 0 337.872 4.482 50 0 EIAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1ccccc1 ZINC000001386393 258049031 /nfs/dbraw/zinc/04/90/31/258049031.db2.gz UOKBQRHASFNSSP-UHFFFAOYSA-N 0 0 336.416 4.472 50 0 EIAARN Cc1cc(=O)oc2cc(OC(=O)CCc3c[nH]c4ccccc34)ccc12 ZINC000003354055 258050521 /nfs/dbraw/zinc/05/05/21/258050521.db2.gz JCHGFDVTPNUFCA-UHFFFAOYSA-N 0 0 347.370 4.121 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000012536924 258055114 /nfs/dbraw/zinc/05/51/14/258055114.db2.gz UTDSQWMVJVGIGA-IYBDPMFKSA-N 0 0 345.446 4.415 50 0 EIAARN O=C(CCc1ccco1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012615682 258055183 /nfs/dbraw/zinc/05/51/83/258055183.db2.gz IYZKTCBMQCHISU-GOSISDBHSA-N 0 0 329.396 4.319 50 0 EIAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2Nc1ccc(O)cc1 ZINC000040216612 258059688 /nfs/dbraw/zinc/05/96/88/258059688.db2.gz SISBOHQMVYQORD-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCCC2)cc1 ZINC000063445778 258062127 /nfs/dbraw/zinc/06/21/27/258062127.db2.gz MVZTXTPIYSPVPM-UHFFFAOYSA-N 0 0 342.464 4.360 50 0 EIAARN CCCNC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058056 258062382 /nfs/dbraw/zinc/06/23/82/258062382.db2.gz LCQXNBXLQFICHK-UHFFFAOYSA-N 0 0 333.391 4.076 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578512 258062539 /nfs/dbraw/zinc/06/25/39/258062539.db2.gz ZJPNMJRYXBPKHC-HNNXBMFYSA-N 0 0 347.418 4.464 50 0 EIAARN CCSc1ccc(NC(=O)N(C)[C@@H](COC)c2ccccn2)cc1 ZINC000096141891 258067610 /nfs/dbraw/zinc/06/76/10/258067610.db2.gz ACTRGEKQJQXWIO-KRWDZBQOSA-N 0 0 345.468 4.045 50 0 EIAARN CCCC[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1cccnc1 ZINC000299757329 258075457 /nfs/dbraw/zinc/07/54/57/258075457.db2.gz LRZHKWSMXGYPLL-GOSISDBHSA-N 0 0 326.415 4.300 50 0 EIAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cccc(-c3cnccn3)c1)C2 ZINC000299762449 258078998 /nfs/dbraw/zinc/07/89/98/258078998.db2.gz VNCXZPOPIOKBOV-DYESRHJHSA-N 0 0 335.451 4.184 50 0 EIAARN CCOc1ccccc1CN1CCN(c2ccccc2Cl)CC1 ZINC000055543631 132195596 /nfs/dbraw/zinc/19/55/96/132195596.db2.gz POPYNXVOHQNXTJ-UHFFFAOYSA-N 0 0 330.859 4.061 50 0 EIAARN Cc1ccc(N2CCN(Cc3ccc(F)cc3)[C@@H](C)C2=O)cc1Cl ZINC000035798946 132391273 /nfs/dbraw/zinc/39/12/73/132391273.db2.gz DPNNVQOPNXFLNY-AWEZNQCLSA-N 0 0 346.833 4.025 50 0 EIAARN C[C@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1Cc1ccccc1 ZINC000037520304 132394584 /nfs/dbraw/zinc/39/45/84/132394584.db2.gz ZCFSDJDRGCAFET-ZDUSSCGKSA-N 0 0 349.261 4.231 50 0 EIAARN C[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1Cc1ccccc1 ZINC000037520303 132394696 /nfs/dbraw/zinc/39/46/96/132394696.db2.gz ZCFSDJDRGCAFET-CYBMUJFWSA-N 0 0 349.261 4.231 50 0 EIAARN Cc1ccccc1CN1CCN(c2ccc(Cl)cc2C)C(=O)[C@@H]1C ZINC000037520217 132394822 /nfs/dbraw/zinc/39/48/22/132394822.db2.gz VLESIRUNJSPMHC-INIZCTEOSA-N 0 0 342.870 4.194 50 0 EIAARN O=C(Cc1cccc2cccnc21)Nc1ccccc1N1CCCCC1 ZINC000040025773 132398397 /nfs/dbraw/zinc/39/83/97/132398397.db2.gz JULXIRCOXVIANI-UHFFFAOYSA-N 0 0 345.446 4.406 50 0 EIAARN O=C(c1ccc(F)cc1F)N1CCSc2ccc(Cl)cc21 ZINC000040071168 132398399 /nfs/dbraw/zinc/39/83/99/132398399.db2.gz CKRMNXJOIORHLQ-UHFFFAOYSA-N 0 0 325.767 4.371 50 0 EIAARN C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000040120903 132398928 /nfs/dbraw/zinc/39/89/28/132398928.db2.gz BVHSPSXFKOAMIB-AWEZNQCLSA-N 0 0 344.484 4.358 50 0 EIAARN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)c3ncccc32)cc1 ZINC000064663014 132806514 /nfs/dbraw/zinc/80/65/14/132806514.db2.gz ZYIMVEJFXWKCIR-UHFFFAOYSA-N 0 0 343.430 4.057 50 0 EIAARN C[C@@H]1CN(c2ccccc2NC(=O)CC(C2CC2)C2CC2)C[C@@H](C)O1 ZINC000065066864 132807074 /nfs/dbraw/zinc/80/70/74/132807074.db2.gz KRGPCFNUOAAMTL-HUUCEWRRSA-N 0 0 342.483 4.065 50 0 EIAARN O=C(COc1ccccc1)Nc1cccc(Cl)c1N1CCCCC1 ZINC000000556557 135652778 /nfs/dbraw/zinc/65/27/78/135652778.db2.gz IAZCYIWYWMNEHU-UHFFFAOYSA-N 0 0 344.842 4.348 50 0 EIAARN Cc1nc(N2CCc3ccccc3C2)nc2oc(-c3ccccc3)nc21 ZINC000021023877 135723406 /nfs/dbraw/zinc/72/34/06/135723406.db2.gz WZCUMERTQHALPF-UHFFFAOYSA-N 0 0 342.402 4.156 50 0 EIAARN O=C(N[C@H]1CCCOc2ccccc21)N1CCC[C@]2(CC=CCC2)C1 ZINC000170626928 226666263 /nfs/dbraw/zinc/66/62/63/226666263.db2.gz ZPXKPVZRUPWLKM-GHTZIAJQSA-N 0 0 340.467 4.432 50 0 EIAARN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(C(C)C)n(C)n2)c1 ZINC000122480735 222096855 /nfs/dbraw/zinc/09/68/55/222096855.db2.gz ITGAFKPAENKMNK-SFHVURJKSA-N 0 0 325.456 4.138 50 0 EIAARN COc1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1CO ZINC000122342340 222066412 /nfs/dbraw/zinc/06/64/12/222066412.db2.gz FLEXGHVPOGJGGU-UHFFFAOYSA-N 0 0 345.345 4.338 50 0 EIAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N(C)C)c1 ZINC000008415055 262520806 /nfs/dbraw/zinc/52/08/06/262520806.db2.gz ZNQWJAZCAZYCPJ-UHFFFAOYSA-N 0 0 328.419 4.462 50 0 EIAARN COc1ccc(CNc2ncnc3ccccc32)cc1Br ZINC000170614834 533711911 /nfs/dbraw/zinc/71/19/11/533711911.db2.gz RIOJOLNYUFRCDG-UHFFFAOYSA-N 0 0 344.212 4.013 50 0 EIAARN C[C@H](NC(=O)c1snnc1C(C)(C)C)c1cc2ccccc2o1 ZINC000170607865 533781586 /nfs/dbraw/zinc/78/15/86/533781586.db2.gz GWYWZQMDUIZNHP-JTQLQIEISA-N 0 0 329.425 4.073 50 0 EIAARN C[C@@H]1CCSCCN1C(=O)Nc1ccccc1-c1ccncc1 ZINC000192231568 534123351 /nfs/dbraw/zinc/12/33/51/534123351.db2.gz WQOHGOJBVHSPNM-CQSZACIVSA-N 0 0 327.453 4.108 50 0 EIAARN CC(=O)c1cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cs1 ZINC000244795718 518275102 /nfs/dbraw/zinc/27/51/02/518275102.db2.gz RMIPWSLZHNWZRA-INIZCTEOSA-N 0 0 335.856 4.178 50 0 EIAARN Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000130180392 534390481 /nfs/dbraw/zinc/39/04/81/534390481.db2.gz QNRRTMRPYYCRMP-AWEZNQCLSA-N 0 0 345.374 4.035 50 0 EIAARN CC(C)Sc1ccccc1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000097038082 519788532 /nfs/dbraw/zinc/78/85/32/519788532.db2.gz VRYOVOPVTRUMKK-UHFFFAOYSA-N 0 0 344.480 4.497 50 0 EIAARN CC(C)c1nc(CCNC(=O)Nc2ccc3ncsc3c2)cs1 ZINC000095507717 519861217 /nfs/dbraw/zinc/86/12/17/519861217.db2.gz CNZJPVAEBHFRQG-UHFFFAOYSA-N 0 0 346.481 4.240 50 0 EIAARN COc1cc(SC)ccc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000278415025 522900995 /nfs/dbraw/zinc/90/09/95/522900995.db2.gz ZROGDUDMWIKVNP-XJKSGUPXSA-N 0 0 337.485 4.197 50 0 EIAARN COc1ccc(C)cc1N1CCCN(c2cc(C)ccc2OC)C1=O ZINC000000045040 523818562 /nfs/dbraw/zinc/81/85/62/523818562.db2.gz BHFLLKKPCKQLOU-UHFFFAOYSA-N 0 0 340.423 4.157 50 0 EIAARN COc1ccc(C)cc1NC(=O)COc1cc(Cl)ccc1Cl ZINC000003469423 523825990 /nfs/dbraw/zinc/82/59/90/523825990.db2.gz VJBOBNSQNDIFBR-UHFFFAOYSA-N 0 0 340.206 4.328 50 0 EIAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253500719 534779656 /nfs/dbraw/zinc/77/96/56/534779656.db2.gz NCMZQTLCXHGLOK-HJRPSSTNSA-N 0 0 330.468 4.450 50 0 EIAARN C[C@@H]1CCC[C@H](N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)[C@H]1C ZINC000245377515 524391046 /nfs/dbraw/zinc/39/10/46/524391046.db2.gz LXKVABORPCYYLX-VBHSOAQHSA-N 0 0 333.431 4.359 50 0 EIAARN Cc1ccc(NC(=O)N(Cc2ccco2)C2CCOCC2)cc1C ZINC000096025028 525115438 /nfs/dbraw/zinc/11/54/38/525115438.db2.gz UUAKCDKOCGSZQK-UHFFFAOYSA-N 0 0 328.412 4.110 50 0 EIAARN C[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000096484918 525126604 /nfs/dbraw/zinc/12/66/04/525126604.db2.gz IPNDSAQBGIQIQT-QWRGUYRKSA-N 0 0 347.352 4.084 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2OC(F)F)o1 ZINC000010115087 525335199 /nfs/dbraw/zinc/33/51/99/525335199.db2.gz FCSVQMZXZJTPCU-VJFPMYOSSA-N 0 0 347.361 4.334 50 0 EIAARN Cc1ccc([C@H](O)CSc2nnc(C(C)C)n2C2CC2)c(C)c1 ZINC000012824962 525979116 /nfs/dbraw/zinc/97/91/16/525979116.db2.gz OINYFKVNLFBMOR-MRXNPFEDSA-N 0 0 331.485 4.179 50 0 EIAARN CC(C)(C)[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000170602380 526726945 /nfs/dbraw/zinc/72/69/45/526726945.db2.gz XJMHAIDAVBQWPT-HOTGVXAUSA-N 0 0 327.472 4.217 50 0 EIAARN O=C(COc1ccc2ccc(=O)oc2c1)c1ccc2ccccc2c1 ZINC000002995638 526972217 /nfs/dbraw/zinc/97/22/17/526972217.db2.gz PMWQLEFKEHXJHB-UHFFFAOYSA-N 0 0 330.339 4.208 50 0 biogenic EIAARN O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1c1ccc(F)cc1 ZINC000000070047 527134479 /nfs/dbraw/zinc/13/44/79/527134479.db2.gz RBALCGIVRZLMBV-LJQANCHMSA-N 0 0 334.350 4.302 50 0 EIAARN O=C(Nc1cccnc1SCc1ccccn1)C1CCCCC1 ZINC000096231221 527448898 /nfs/dbraw/zinc/44/88/98/527448898.db2.gz ZGBSQDJRPFFMEA-UHFFFAOYSA-N 0 0 327.453 4.288 50 0 EIAARN CC(C)c1ccc(NC(=O)N2CCO[C@@H](c3nccs3)C2)cc1F ZINC000184440791 528114721 /nfs/dbraw/zinc/11/47/21/528114721.db2.gz FUPUJQDSDSUPCM-OAHLLOKOSA-N 0 0 349.431 4.011 50 0 EIAARN CC(C)c1cnc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)s1 ZINC000184054609 528216671 /nfs/dbraw/zinc/21/66/71/528216671.db2.gz KCUUYMBATPWLRS-OAHLLOKOSA-N 0 0 348.859 4.182 50 0 EIAARN CC(C)c1csc([C@@H]2CCCN(C(=O)Nc3ccncc3F)C2)n1 ZINC000184183772 528240220 /nfs/dbraw/zinc/24/02/20/528240220.db2.gz QXWLJCYDUOZDQO-GFCCVEGCSA-N 0 0 348.447 4.212 50 0 EIAARN CC(C)c1nc(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)cs1 ZINC000164503018 528258924 /nfs/dbraw/zinc/25/89/24/528258924.db2.gz PLIHVRSUWLYXMP-GDBMZVCRSA-N 0 0 348.512 4.411 50 0 EIAARN CCCn1nccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000165552908 528896479 /nfs/dbraw/zinc/89/64/79/528896479.db2.gz ACAMWBJWZPGHFK-UHFFFAOYSA-N 0 0 340.814 4.261 50 0 EIAARN CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)cc1 ZINC000193715347 535373729 /nfs/dbraw/zinc/37/37/29/535373729.db2.gz ZYNSERAEXBYZHG-IBGZPJMESA-N 0 0 325.456 4.220 50 0 EIAARN CN(Cc1sc2ccccc2c1Cl)C(=O)[C@H]1CCC[C@@H](O)C1 ZINC000223554191 536487412 /nfs/dbraw/zinc/48/74/12/536487412.db2.gz FPFPXYQBMHBKJH-NWDGAFQWSA-N 0 0 337.872 4.064 50 0 EIAARN COc1ccccc1-c1ccc(-c2ccc(NC(=O)C(C)C)cc2)nn1 ZINC000216468836 536970794 /nfs/dbraw/zinc/97/07/94/536970794.db2.gz YQKWOGPXRFIHCJ-UHFFFAOYSA-N 0 0 347.418 4.414 50 0 EIAARN CCOC(=O)c1cc(CC)sc1NC(=O)CCc1cccs1 ZINC000032893337 563782639 /nfs/dbraw/zinc/78/26/39/563782639.db2.gz KNKAQAQVCZWJRX-UHFFFAOYSA-N 0 0 337.466 4.120 50 0 EIAARN CCCn1ccnc1SCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000025136475 563881281 /nfs/dbraw/zinc/88/12/81/563881281.db2.gz GTKDIWHIJVYNGH-UHFFFAOYSA-N 0 0 337.876 4.294 50 0 EIAARN COc1cc(C)ccc1OCCOc1cccc(Br)c1 ZINC000002991155 564013470 /nfs/dbraw/zinc/01/34/70/564013470.db2.gz PMJQQYRINWAQKN-UHFFFAOYSA-N 0 0 337.213 4.224 50 0 EIAARN CSc1nn(CN2CCCc3cc(C)cc(F)c32)c(=S)s1 ZINC000048340469 564031185 /nfs/dbraw/zinc/03/11/85/564031185.db2.gz DQIKABZVFAKELH-UHFFFAOYSA-N 0 0 341.502 4.254 50 0 EIAARN O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1 ZINC000007972900 564095522 /nfs/dbraw/zinc/09/55/22/564095522.db2.gz ZOGYYVNRPWSYQZ-UHFFFAOYSA-N 0 0 328.721 4.409 50 0 EIAARN Cc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c(C)cc1Cl ZINC000013939139 564112117 /nfs/dbraw/zinc/11/21/17/564112117.db2.gz DHMDGKIRIOKBSC-UHFFFAOYSA-N 0 0 331.909 4.450 50 0 EIAARN C[S@](=O)Cc1cc(NCc2ccc(F)c(F)c2)ccc1Cl ZINC000195559033 564123821 /nfs/dbraw/zinc/12/38/21/564123821.db2.gz QTAGRARXCDBLLT-NRFANRHFSA-N 0 0 329.799 4.109 50 0 EIAARN CC(C)COP(=O)(OCC(C)C)[C@H](O)c1ccc(N(C)C)cc1 ZINC000002278126 564125641 /nfs/dbraw/zinc/12/56/41/564125641.db2.gz ILQSIKUHHWRPJW-KRWDZBQOSA-N 0 0 343.404 4.282 50 0 EIAARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000000240730 563264985 /nfs/dbraw/zinc/26/49/85/563264985.db2.gz AIGKNZVPDLBPRX-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN O=C(NC(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl ZINC000000453960 563322696 /nfs/dbraw/zinc/32/26/96/563322696.db2.gz TWDSDPDLHXYBPM-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccccc2F)cc1Br ZINC000000858770 563364800 /nfs/dbraw/zinc/36/48/00/563364800.db2.gz QAAIWBVNQGDUQY-UHFFFAOYSA-N 0 0 338.176 4.239 50 0 EIAARN O=Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000003162856 563475088 /nfs/dbraw/zinc/47/50/88/563475088.db2.gz AGOKGPQQBWBDTK-UHFFFAOYSA-N 0 0 329.975 4.284 50 0 EIAARN O=C(c1c[nH]c(C(=O)C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000003069891 563471111 /nfs/dbraw/zinc/47/11/11/563471111.db2.gz FWDBUXASJIFNLR-UHFFFAOYSA-N 0 0 336.096 4.298 50 0 EIAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccco1 ZINC000000027788 563211595 /nfs/dbraw/zinc/21/15/95/563211595.db2.gz UNONSPAQJGZHRA-UHFFFAOYSA-N 0 0 349.209 4.418 50 0 EIAARN O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(NCc3ccccc3)ncc21 ZINC000000034429 563211944 /nfs/dbraw/zinc/21/19/44/563211944.db2.gz REHCLXWBVOWVQA-INIZCTEOSA-N 0 0 347.393 4.141 50 0 EIAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1ccco1)C[C@H](C)CC2 ZINC000000035608 563211988 /nfs/dbraw/zinc/21/19/88/563211988.db2.gz AGRYOYJCVQAOGA-LLVKDONJSA-N 0 0 347.436 4.283 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1)c1cc(F)c(F)cc1Cl ZINC000000036274 563211994 /nfs/dbraw/zinc/21/19/94/563211994.db2.gz GZHNGKHJGJRGIR-UHFFFAOYSA-N 0 0 330.161 4.244 50 0 EIAARN O=C(COc1ccc(Br)cc1)Nc1ccccc1Cl ZINC000000037569 563212119 /nfs/dbraw/zinc/21/21/19/563212119.db2.gz WLSAXWQULVZTQD-UHFFFAOYSA-N 0 0 340.604 4.120 50 0 EIAARN COc1ccccc1Nc1ncnc2ccc(Br)cc21 ZINC000000037962 563212146 /nfs/dbraw/zinc/21/21/46/563212146.db2.gz DQIMOXIZLFEENS-UHFFFAOYSA-N 0 0 330.185 4.145 50 0 EIAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)c1cccc2ccccc21 ZINC000000038335 563212298 /nfs/dbraw/zinc/21/22/98/563212298.db2.gz URERKEJKWNDINY-UHFFFAOYSA-N 0 0 348.789 4.086 50 0 EIAARN Cc1ccc(OCC(=O)Oc2ccccc2C)c(Br)c1 ZINC000000038918 563212482 /nfs/dbraw/zinc/21/24/82/563212482.db2.gz VTRRCRAMYICPLX-UHFFFAOYSA-N 0 0 335.197 4.050 50 0 EIAARN O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 ZINC000000071026 563215379 /nfs/dbraw/zinc/21/53/79/563215379.db2.gz UKZLKDOQCWALRX-UHFFFAOYSA-N 0 0 341.164 4.099 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1C ZINC000000076916 563217216 /nfs/dbraw/zinc/21/72/16/563217216.db2.gz FSQVXRIRNMWFNC-UHFFFAOYSA-N 0 0 346.452 4.178 50 0 EIAARN Cc1ccc(C)c(OCC(=O)Nc2nc3ccccc3s2)c1C ZINC000000077079 563217240 /nfs/dbraw/zinc/21/72/40/563217240.db2.gz WNTSDBMLRMSIEU-UHFFFAOYSA-N 0 0 326.421 4.239 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 ZINC000000077580 563217529 /nfs/dbraw/zinc/21/75/29/563217529.db2.gz UUITWLDYQXQBOA-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(Cl)c1 ZINC000000078761 563217806 /nfs/dbraw/zinc/21/78/06/563217806.db2.gz LGTRSVANTKPBGK-UHFFFAOYSA-N 0 0 337.828 4.447 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccs1 ZINC000000096433 563224262 /nfs/dbraw/zinc/22/42/62/563224262.db2.gz MDPSKKPTMJIIKO-UHFFFAOYSA-N 0 0 328.418 4.314 50 0 EIAARN CCOc1ccc(N[C@]23SCC(=O)[C@H]2CCc2ccccc23)cc1 ZINC000000104999 563227178 /nfs/dbraw/zinc/22/71/78/563227178.db2.gz ZMLVZLBLPPGPPA-UYAOXDASSA-N 0 0 339.460 4.229 50 0 EIAARN FC(F)(F)c1cccc(OCc2noc(-c3ccsc3)n2)c1 ZINC000000107675 563228592 /nfs/dbraw/zinc/22/85/92/563228592.db2.gz RQGNJHATDBUUIW-UHFFFAOYSA-N 0 0 326.299 4.396 50 0 EIAARN Cc1cc(C)c(C(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1 ZINC000000112747 563230408 /nfs/dbraw/zinc/23/04/08/563230408.db2.gz NQDZVNDFQVSFST-UHFFFAOYSA-N 0 0 341.476 4.408 50 0 EIAARN CCCc1ccc(OCc2ccc(C(=O)N3CCSCC3)o2)cc1 ZINC000000115353 563231900 /nfs/dbraw/zinc/23/19/00/563231900.db2.gz ATIOENCTHUBCFS-UHFFFAOYSA-N 0 0 345.464 4.000 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1)C[C@@H](C)CC2 ZINC000000118437 563233419 /nfs/dbraw/zinc/23/34/19/563233419.db2.gz KXISAQHOTBGMMH-LBPRGKRZSA-N 0 0 343.448 4.220 50 0 EIAARN CCOc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000000134781 563240069 /nfs/dbraw/zinc/24/00/69/563240069.db2.gz WKODVDUHMKSPKM-UHFFFAOYSA-N 0 0 327.405 4.039 50 0 EIAARN COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000000143507 563243200 /nfs/dbraw/zinc/24/32/00/563243200.db2.gz OWFAZMHCDLAVCB-UHFFFAOYSA-N 0 0 339.178 4.424 50 0 EIAARN C[C@H]1CCc2c(sc3ncn(Cc4ccc(Cl)cc4)c(=O)c23)C1 ZINC000000143657 563243267 /nfs/dbraw/zinc/24/32/67/563243267.db2.gz LVMXVULTFAKHMA-NSHDSACASA-N 0 0 344.867 4.285 50 0 EIAARN Cc1sc2ncn(Cc3c(Cl)cccc3Cl)c(=O)c2c1C ZINC000000144638 563243591 /nfs/dbraw/zinc/24/35/91/563243591.db2.gz CGVAFOORZCSWHW-UHFFFAOYSA-N 0 0 339.247 4.430 50 0 EIAARN CC(=O)COc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000000148008 563244798 /nfs/dbraw/zinc/24/47/98/563244798.db2.gz OYARKJVACPTPDT-UHFFFAOYSA-N 0 0 338.359 4.170 50 0 EIAARN CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1ccc(O)cc1 ZINC000000148360 563245146 /nfs/dbraw/zinc/24/51/46/563245146.db2.gz TZCHFPGEYWXTLF-UHFFFAOYSA-N 0 0 336.391 4.478 50 0 EIAARN CCn1cnc2sc(C)c(-c3ccc(Br)cc3)c2c1=O ZINC000000148874 563245470 /nfs/dbraw/zinc/24/54/70/563245470.db2.gz HJYOGRBMQSRKJE-UHFFFAOYSA-N 0 0 349.253 4.216 50 0 EIAARN Cc1ccc(COn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000000167648 563249922 /nfs/dbraw/zinc/24/99/22/563249922.db2.gz DNCAECVRAHXYNP-UHFFFAOYSA-N 0 0 342.398 4.001 50 0 EIAARN Cn1ccnc1SCC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000000172934 563252032 /nfs/dbraw/zinc/25/20/32/563252032.db2.gz HDCJYMDMHSKQHA-UHFFFAOYSA-N 0 0 329.469 4.199 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)cc1 ZINC000000174167 563252708 /nfs/dbraw/zinc/25/27/08/563252708.db2.gz FAANTYMBJDUADH-UHFFFAOYSA-N 0 0 341.461 4.040 50 0 EIAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccccc1 ZINC000000175990 563252725 /nfs/dbraw/zinc/25/27/25/563252725.db2.gz YMMMLBQEAZLFRV-UHFFFAOYSA-N 0 0 330.343 4.453 50 0 biogenic EIAARN O=C(C[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000000178779 563253394 /nfs/dbraw/zinc/25/33/94/563253394.db2.gz PZNSDUWMPLRQQY-IBGZPJMESA-N 0 0 340.400 4.068 50 0 EIAARN Cc1cc2ncn(C[C@@H](O)COc3ccc4ccccc4c3)c2cc1C ZINC000000243060 563265349 /nfs/dbraw/zinc/26/53/49/563265349.db2.gz QZNPTKOZMFTIME-LJQANCHMSA-N 0 0 346.430 4.246 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000000266728 563268756 /nfs/dbraw/zinc/26/87/56/563268756.db2.gz ARYGMOALUJRILH-UHFFFAOYSA-N 0 0 332.403 4.323 50 0 EIAARN COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1OC ZINC000000268090 563269304 /nfs/dbraw/zinc/26/93/04/563269304.db2.gz XOBGOQYNOCIGPM-UHFFFAOYSA-N 0 0 337.828 4.088 50 0 EIAARN O=C(NC1C2CC3CC(C2)CC1C3)c1cc(F)c(F)cc1Cl ZINC000000269571 563269500 /nfs/dbraw/zinc/26/95/00/563269500.db2.gz KHDHCGVGXDFULD-UHFFFAOYSA-N 0 0 325.786 4.173 50 0 EIAARN O=C(CSc1nc2cc(Cl)ccc2s1)NC1CCCCC1 ZINC000000271455 563269572 /nfs/dbraw/zinc/26/95/72/563269572.db2.gz VJKFGXIRNIFJEJ-UHFFFAOYSA-N 0 0 340.901 4.491 50 0 EIAARN CC1(C)Cc2nc(NC(=O)c3cccc(Cl)c3)sc2C(=O)C1 ZINC000000281044 563271909 /nfs/dbraw/zinc/27/19/09/563271909.db2.gz CPYXHRAVRLKFEO-UHFFFAOYSA-N 0 0 334.828 4.204 50 0 EIAARN COc1cc(OC)c(CNc2cccc(F)c2)cc1Br ZINC000000280477 563271942 /nfs/dbraw/zinc/27/19/42/563271942.db2.gz JFUSQBWCFWEZIT-UHFFFAOYSA-N 0 0 340.192 4.218 50 0 EIAARN Cc1cc(C)c(OCC(=O)Nc2ccccc2Br)c(C)c1 ZINC000000315330 563282387 /nfs/dbraw/zinc/28/23/87/563282387.db2.gz RXWJJLALSZTJAU-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000000318052 563283650 /nfs/dbraw/zinc/28/36/50/563283650.db2.gz NUFVDXGHFPLDKE-OAQYLSRUSA-N 0 0 346.382 4.476 50 0 EIAARN COc1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 ZINC000000318594 563283742 /nfs/dbraw/zinc/28/37/42/563283742.db2.gz LBWUVAQHKJDERI-UHFFFAOYSA-N 0 0 334.371 4.493 50 0 EIAARN CSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 ZINC000000335933 563285239 /nfs/dbraw/zinc/28/52/39/563285239.db2.gz KDHXGZJLEYCMTG-MLGOLLRUSA-N 0 0 340.452 4.137 50 0 EIAARN Cc1cccc(C)c1NC(=S)NC(=O)c1cccc(OC(C)C)c1 ZINC000000342123 563286966 /nfs/dbraw/zinc/28/69/66/563286966.db2.gz LOQLSDDZZWVDBM-UHFFFAOYSA-N 0 0 342.464 4.217 50 0 EIAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1F ZINC000000355986 563291090 /nfs/dbraw/zinc/29/10/90/563291090.db2.gz BNQXZLONSNGBII-UHFFFAOYSA-N 0 0 335.400 4.440 50 0 EIAARN Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)ccc1Br ZINC000000357221 563291570 /nfs/dbraw/zinc/29/15/70/563291570.db2.gz PBMHKRZEEVTCCF-CYBMUJFWSA-N 0 0 348.240 4.014 50 0 EIAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc3cccnc32)cc1 ZINC000000359245 563292636 /nfs/dbraw/zinc/29/26/36/563292636.db2.gz BSWRGCGDSSDFIP-IBGZPJMESA-N 0 0 336.416 4.022 50 0 EIAARN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc(F)c1 ZINC000000361369 563294047 /nfs/dbraw/zinc/29/40/47/563294047.db2.gz ZIAJEUGSRCCXNO-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN O=C1c2ccc(Cl)cc2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000362477 563294354 /nfs/dbraw/zinc/29/43/54/563294354.db2.gz ILLZHCCAPJLOCW-UHFFFAOYSA-N 0 0 326.566 4.447 50 0 EIAARN COc1cc(OC)c(C(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000000365273 563296155 /nfs/dbraw/zinc/29/61/55/563296155.db2.gz JWGPLYIUBOIFTA-UHFFFAOYSA-N 0 0 337.375 4.118 50 0 EIAARN COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(C)c(C)c1 ZINC000000371552 563297833 /nfs/dbraw/zinc/29/78/33/563297833.db2.gz RFRWZHVIIYBESD-UHFFFAOYSA-N 0 0 343.448 4.475 50 0 EIAARN COc1ccc(CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 ZINC000000387108 563303147 /nfs/dbraw/zinc/30/31/47/563303147.db2.gz PCQSLOVTAZWUIC-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN O=C1N[C@H](Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1 ZINC000000404184 563306330 /nfs/dbraw/zinc/30/63/30/563306330.db2.gz XVHANMSUSBZRCX-HXUWFJFHSA-N 0 0 329.399 4.281 50 0 EIAARN COC(=O)c1cc2ccc1CCc1ccc(cc1Br)CC2 ZINC000000409610 563308058 /nfs/dbraw/zinc/30/80/58/563308058.db2.gz GFVVTNBNUMBUID-UHFFFAOYSA-N 0 0 345.236 4.120 50 0 EIAARN Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 ZINC000000422625 563309130 /nfs/dbraw/zinc/30/91/30/563309130.db2.gz BCHPDWOONRTFDM-UHFFFAOYSA-N 0 0 338.480 4.467 50 0 EIAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000000427672 563310758 /nfs/dbraw/zinc/31/07/58/563310758.db2.gz XFVXFDRNKKNYAA-LBPRGKRZSA-N 0 0 331.799 4.066 50 0 EIAARN CC(C)OC(=O)c1c(N)scc1-c1ccc(Br)cc1 ZINC000000442709 563314808 /nfs/dbraw/zinc/31/48/08/563314808.db2.gz JQLSZIYDUQMCQT-UHFFFAOYSA-N 0 0 340.242 4.325 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000000442297 563314458 /nfs/dbraw/zinc/31/44/58/563314458.db2.gz IKRGYWILLXMXJG-KRWDZBQOSA-N 0 0 331.415 4.360 50 0 EIAARN O=C(COc1ccc2ccccc2c1)NC1C2CC3CC(C2)CC1C3 ZINC000000442904 563314786 /nfs/dbraw/zinc/31/47/86/563314786.db2.gz BBOBLNBPJKQJCK-UHFFFAOYSA-N 0 0 335.447 4.160 50 0 EIAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccco1 ZINC000000444599 563316324 /nfs/dbraw/zinc/31/63/24/563316324.db2.gz FWYFNDMVEHUCHN-CMDGGOBGSA-N 0 0 345.358 4.443 50 0 EIAARN Cc1oc2ccc(O)cc2c1C(=O)c1ccc(Br)cc1 ZINC000000446183 563317410 /nfs/dbraw/zinc/31/74/10/563317410.db2.gz BQJQUXCHZULJOI-UHFFFAOYSA-N 0 0 331.165 4.440 50 0 EIAARN CCOC(=O)c1c2cc(O)ccc2n(C)c1CSc1ccccc1 ZINC000000453199 563321605 /nfs/dbraw/zinc/32/16/05/563321605.db2.gz RTIBLQQLUBXQDX-UHFFFAOYSA-N 0 0 341.432 4.353 50 0 EIAARN Cc1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000452919 563321654 /nfs/dbraw/zinc/32/16/54/563321654.db2.gz VJHFIVOAYPTJOT-UHFFFAOYSA-N 0 0 326.465 4.419 50 0 EIAARN Cc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1O ZINC000000453391 563321990 /nfs/dbraw/zinc/32/19/90/563321990.db2.gz IUYBMIPFKFOFAC-OAQYLSRUSA-N 0 0 346.382 4.482 50 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COc1ccc([C@H](C)NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000000475804 563334146 /nfs/dbraw/zinc/33/41/46/563334146.db2.gz VEUMDLHPRIVMAS-HNNXBMFYSA-N 0 0 327.424 4.221 50 0 EIAARN CC(C)(C)NC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000000480377 563336065 /nfs/dbraw/zinc/33/60/65/563336065.db2.gz NGDHLKQXARAGOX-OAHLLOKOSA-N 0 0 331.843 4.482 50 0 EIAARN C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1 ZINC000000482416 563337155 /nfs/dbraw/zinc/33/71/55/563337155.db2.gz KSKOUMYMEYZNED-LLVKDONJSA-N 0 0 337.202 4.351 50 0 EIAARN O=C(Nc1nccs1)c1ccc(COc2ccccc2Cl)o1 ZINC000000483702 563337785 /nfs/dbraw/zinc/33/77/85/563337785.db2.gz MXJRBSHPGJZFBQ-UHFFFAOYSA-N 0 0 334.784 4.221 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000000514185 563339696 /nfs/dbraw/zinc/33/96/96/563339696.db2.gz GKSAHVFIPXJJSW-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN c1ccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)cc1 ZINC000000527203 563341403 /nfs/dbraw/zinc/34/14/03/563341403.db2.gz BAZFCPXCOKWCBQ-UHFFFAOYSA-N 0 0 342.427 4.456 50 0 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/nfs/dbraw/zinc/46/76/25/563467625.db2.gz DHYGMIXHSHDLPW-LLVKDONJSA-N 0 0 331.934 4.469 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000002748811 563448398 /nfs/dbraw/zinc/44/83/98/563448398.db2.gz MEJAANYFULFWMK-MRXNPFEDSA-N 0 0 338.234 4.467 50 0 EIAARN CCCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCCC2 ZINC000002749836 563448817 /nfs/dbraw/zinc/44/88/17/563448817.db2.gz DXYYQZHSJUSACC-UHFFFAOYSA-N 0 0 347.436 4.347 50 0 EIAARN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 ZINC000002774287 563450437 /nfs/dbraw/zinc/45/04/37/563450437.db2.gz LIGYHAJEXQOUBI-ZHACJKMWSA-N 0 0 329.421 4.357 50 0 EIAARN CC(C)N(Cc1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002833302 563453608 /nfs/dbraw/zinc/45/36/08/563453608.db2.gz DBZIFNDXKTXAOJ-UHFFFAOYSA-N 0 0 343.295 4.433 50 0 EIAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1cccs1 ZINC000002846968 563455344 /nfs/dbraw/zinc/45/53/44/563455344.db2.gz IPGLKRIAANYMAV-UHFFFAOYSA-N 0 0 333.463 4.144 50 0 aggregator EIAARN COc1ccc([C@H](NC(=O)c2ccc(F)cc2)c2ccccc2)cc1 ZINC000002849464 563455606 /nfs/dbraw/zinc/45/56/06/563455606.db2.gz VAERMFFBKZWOOC-HXUWFJFHSA-N 0 0 335.378 4.354 50 0 EIAARN COc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c(OC)c1 ZINC000002854082 563456056 /nfs/dbraw/zinc/45/60/56/563456056.db2.gz AXJXSLPOQKYZRV-AWEZNQCLSA-N 0 0 344.480 4.368 50 0 EIAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000002852560 563456120 /nfs/dbraw/zinc/45/61/20/563456120.db2.gz DTQVLGFOSYSMOX-UHFFFAOYSA-N 0 0 331.803 4.116 50 0 EIAARN COCCSc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 ZINC000002865314 563458101 /nfs/dbraw/zinc/45/81/01/563458101.db2.gz ZVVPPSBBDHJMGS-MRXNPFEDSA-N 0 0 343.492 4.176 50 0 EIAARN COc1cc2c(cc1NC(=O)c1c(C)noc1C)oc1ccccc12 ZINC000002872710 563459324 /nfs/dbraw/zinc/45/93/24/563459324.db2.gz LTPQRIMIXMDYAA-UHFFFAOYSA-N 0 0 336.347 4.452 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1SC ZINC000002881502 563461108 /nfs/dbraw/zinc/46/11/08/563461108.db2.gz AEYILBKXYYXNNE-CYBMUJFWSA-N 0 0 342.464 4.189 50 0 EIAARN Cc1cc(C)nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000002885300 563461753 /nfs/dbraw/zinc/46/17/53/563461753.db2.gz LQDLNDUQNDPWEB-UHFFFAOYSA-N 0 0 342.251 4.131 50 0 EIAARN O=C(Nc1ccccc1)OCCOc1cccc(Br)c1 ZINC000002893372 563462444 /nfs/dbraw/zinc/46/24/44/563462444.db2.gz CWBBSJUKSAPDNT-UHFFFAOYSA-N 0 0 336.185 4.077 50 0 EIAARN COc1cc(C)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000002983670 563465819 /nfs/dbraw/zinc/46/58/19/563465819.db2.gz CSWIIPIBILAHFY-UHFFFAOYSA-N 0 0 330.424 4.095 50 0 EIAARN CCOc1cccc(OCCOCCOc2c(C)cccc2C)c1 ZINC000002984211 563466275 /nfs/dbraw/zinc/46/62/75/563466275.db2.gz JBDXLZBLPRFGBL-UHFFFAOYSA-N 0 0 330.424 4.177 50 0 EIAARN CCOc1cccc(OCCOCCOc2ccccc2CC)c1 ZINC000002985650 563466944 /nfs/dbraw/zinc/46/69/44/563466944.db2.gz HTSMQIBNYANNMA-UHFFFAOYSA-N 0 0 330.424 4.122 50 0 EIAARN Cc1cc(C)cc(OCCOCCOc2cccc3cccnc32)c1 ZINC000002985808 563467106 /nfs/dbraw/zinc/46/71/06/563467106.db2.gz NWUGPNIPTLWGLF-UHFFFAOYSA-N 0 0 337.419 4.326 50 0 EIAARN COc1ccc(/C=C/C(=O)NCCSCc2cccc(C)c2)cc1 ZINC000002993049 563468498 /nfs/dbraw/zinc/46/84/98/563468498.db2.gz HRAOORXELDIPBX-DHZHZOJOSA-N 0 0 341.476 4.066 50 0 EIAARN CCc1ccccc1OCCOCCOc1cccc2cccnc21 ZINC000002994748 563468842 /nfs/dbraw/zinc/46/88/42/563468842.db2.gz ZZXGKPJBUZSPQN-UHFFFAOYSA-N 0 0 337.419 4.272 50 0 EIAARN COc1cccc(C(=O)Nc2c(C)[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000034794227 563479601 /nfs/dbraw/zinc/47/96/01/563479601.db2.gz ITDNLOQSYXSGHA-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN COc1cccc(CC(=O)Nc2c(C)[nH]nc2-c2ccc(C)cc2C)c1 ZINC000034794780 563479681 /nfs/dbraw/zinc/47/96/81/563479681.db2.gz WTUWACJNKCFIIW-UHFFFAOYSA-N 0 0 349.434 4.192 50 0 EIAARN Cc1[nH]nc(-c2ccc(F)c(F)c2)c1NC(=O)c1ccccc1F ZINC000034795637 563480314 /nfs/dbraw/zinc/48/03/14/563480314.db2.gz BAUYRNRGZYWCMW-UHFFFAOYSA-N 0 0 331.297 4.055 50 0 EIAARN CCc1[nH]nc(-c2ccccc2OC)c1NC(=O)CC1CCCC1 ZINC000034796277 563480700 /nfs/dbraw/zinc/48/07/00/563480700.db2.gz VFEYMTQYYDDSAD-UHFFFAOYSA-N 0 0 327.428 4.167 50 0 EIAARN O=C(Nc1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000003481148 563485683 /nfs/dbraw/zinc/48/56/83/563485683.db2.gz FLKWYDIRBZOVST-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN Cc1nn(-c2ccc(Br)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000004186103 563497224 /nfs/dbraw/zinc/49/72/24/563497224.db2.gz PIXUIACSVOPXCM-UHFFFAOYSA-N 0 0 333.229 4.098 50 0 EIAARN Cc1nnc(SCCOc2ccccc2C)n1-c1ccccc1 ZINC000004621007 563506226 /nfs/dbraw/zinc/50/62/26/563506226.db2.gz KROKZALZFQYMTH-UHFFFAOYSA-N 0 0 325.437 4.055 50 0 EIAARN Clc1ccc(CNc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000004911713 563515090 /nfs/dbraw/zinc/51/50/90/563515090.db2.gz SIAXZGXOBVPPSZ-UHFFFAOYSA-N 0 0 337.250 4.442 50 0 EIAARN CCC(=O)N1c2ccc(C)cc2[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000004992864 563517906 /nfs/dbraw/zinc/51/79/06/563517906.db2.gz FMYJZUSFKVVZIP-BEFAXECRSA-N 0 0 337.419 4.428 50 0 EIAARN CN(C)c1ccc(-c2cc(-c3ccc(Cl)cc3)nc3ncnn32)cc1 ZINC000005569773 563540454 /nfs/dbraw/zinc/54/04/54/563540454.db2.gz DSAIHMIWWPLIBR-UHFFFAOYSA-N 0 0 349.825 4.178 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000005598789 563541797 /nfs/dbraw/zinc/54/17/97/563541797.db2.gz AOUUWYTZMVSURT-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN O=C1Nc2ccccc2/C1=C(/c1nc2ccccc2[nH]1)c1ccccc1 ZINC000005635316 563543337 /nfs/dbraw/zinc/54/33/37/563543337.db2.gz BYDKQRGWKQKJBI-VXPUYCOJSA-N 0 0 337.382 4.474 50 0 EIAARN O=C(CSc1nnc(C=Cc2ccccc2)o1)c1ccc(F)cc1 ZINC000005899241 563553591 /nfs/dbraw/zinc/55/35/91/563553591.db2.gz CCEZQFXVGRLXEJ-IZZDOVSWSA-N 0 0 340.379 4.354 50 0 EIAARN Cc1nnc([C@@H](C)Nc2ccc(OCc3ccccn3)c(Cl)c2)o1 ZINC000071902613 563555456 /nfs/dbraw/zinc/55/54/56/563555456.db2.gz ORDFKSLCBLLIDU-LLVKDONJSA-N 0 0 344.802 4.179 50 0 EIAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)c(C)c1 ZINC000006016939 563557446 /nfs/dbraw/zinc/55/74/46/563557446.db2.gz CILAACYGWIFMGI-UHFFFAOYSA-N 0 0 328.462 4.215 50 0 EIAARN CCc1ccc(-c2nc(SCc3ncc(C(C)C)o3)n[nH]2)cc1 ZINC000071904407 563559864 /nfs/dbraw/zinc/55/98/64/563559864.db2.gz ACNCROXZRCBRCP-UHFFFAOYSA-N 0 0 328.441 4.438 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1)c1ccccc1Br ZINC000006466023 563568859 /nfs/dbraw/zinc/56/88/59/563568859.db2.gz YBNZXUDCUMATJG-UHFFFAOYSA-N 0 0 345.240 4.302 50 0 EIAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1 ZINC000010577733 563571101 /nfs/dbraw/zinc/57/11/01/563571101.db2.gz APVVUCKHOOWUGZ-UHFFFAOYSA-N 0 0 341.411 4.288 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=O)c3ccc(F)cc3Cl)ccc12 ZINC000006699910 563579402 /nfs/dbraw/zinc/57/94/02/563579402.db2.gz GNTMGXHZHCKZPQ-UHFFFAOYSA-N 0 0 331.730 4.146 50 0 EIAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)Cc1ccccc1 ZINC000006701804 563580112 /nfs/dbraw/zinc/58/01/12/563580112.db2.gz MFJBRFVZADIDPT-UHFFFAOYSA-N 0 0 333.435 4.038 50 0 EIAARN Cc1cc(Cl)ccc1OCC1N=NC(=S)N1c1ccccc1 ZINC000002549869 563587227 /nfs/dbraw/zinc/58/72/27/563587227.db2.gz JEURIIQPMNMJGR-UHFFFAOYSA-N 0 0 331.828 4.097 50 0 EIAARN COc1cc(NC(=O)c2oc3ccccc3c2C)cc(OC)c1OC ZINC000006902513 563591395 /nfs/dbraw/zinc/59/13/95/563591395.db2.gz XSPCZFJZCORHRF-UHFFFAOYSA-N 0 0 341.363 4.019 50 0 EIAARN O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1ccc(F)cc1 ZINC000006925931 563591699 /nfs/dbraw/zinc/59/16/99/563591699.db2.gz KXFLXMKGVADAMS-UHFFFAOYSA-N 0 0 338.304 4.287 50 0 EIAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000007056388 563594607 /nfs/dbraw/zinc/59/46/07/563594607.db2.gz GSXCPFAZLCGQGB-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc2ccccc2o1 ZINC000002708304 563603719 /nfs/dbraw/zinc/60/37/19/563603719.db2.gz FOPUHIHBSHKKMP-UHFFFAOYSA-N 0 0 329.377 4.150 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)c(Cl)c2)nnn1-c1cccc(C)c1 ZINC000002715834 563607099 /nfs/dbraw/zinc/60/70/99/563607099.db2.gz DWYQGKIERLUDBA-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN Cc1c(C(=O)Nc2cccc(C)c2C)nnn1-c1ccc(C)c(C)c1 ZINC000002715828 563607145 /nfs/dbraw/zinc/60/71/45/563607145.db2.gz DBNWIKGKCKAWJZ-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN O=C(NC1CCCCC1)c1ccccc1OCCOc1ccccc1 ZINC000007609054 563607587 /nfs/dbraw/zinc/60/75/87/563607587.db2.gz BKLCCUXMLHAXOC-UHFFFAOYSA-N 0 0 339.435 4.207 50 0 EIAARN CCCc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1 ZINC000007636169 563608342 /nfs/dbraw/zinc/60/83/42/563608342.db2.gz WRSPWPVABKLOQI-UHFFFAOYSA-N 0 0 331.423 4.151 50 0 EIAARN COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc(OC)c1 ZINC000002762589 563610145 /nfs/dbraw/zinc/61/01/45/563610145.db2.gz FJGSDMOHZQUDDT-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)C1CCCCC1 ZINC000002760249 563612436 /nfs/dbraw/zinc/61/24/36/563612436.db2.gz ZRMZLIZUDDYDQT-UHFFFAOYSA-N 0 0 325.456 4.375 50 0 EIAARN S=C(Nc1cnn(Cc2ccccc2Cl)c1)N1CCCCCC1 ZINC000002802494 563615532 /nfs/dbraw/zinc/61/55/32/563615532.db2.gz CYZVGWDZWWKQJB-UHFFFAOYSA-N 0 0 348.903 4.158 50 0 EIAARN O=C(Nc1ccccc1OC(F)F)c1cc(-c2ccccc2)on1 ZINC000002794173 563616178 /nfs/dbraw/zinc/61/61/78/563616178.db2.gz BEMOOJHEVXNGRT-UHFFFAOYSA-N 0 0 330.290 4.195 50 0 EIAARN O=C(Nc1ccccc1)c1nnn(-c2ccccc2)c1-c1ccccc1 ZINC000008021768 563619244 /nfs/dbraw/zinc/61/92/44/563619244.db2.gz FJULJPAGMSUKFL-UHFFFAOYSA-N 0 0 340.386 4.187 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(F)c(N(C)C)c(F)c1 ZINC000071915970 563620378 /nfs/dbraw/zinc/62/03/78/563620378.db2.gz IVHPDRPWMBPHMM-MRXNPFEDSA-N 0 0 348.397 4.041 50 0 EIAARN COc1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)c(OC)c1 ZINC000008162769 563622818 /nfs/dbraw/zinc/62/28/18/563622818.db2.gz BXFHCERRUADVMS-UHFFFAOYSA-N 0 0 349.312 4.409 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000008160895 563622846 /nfs/dbraw/zinc/62/28/46/563622846.db2.gz WLTQMCAXRKFCAI-GOSISDBHSA-N 0 0 345.826 4.079 50 0 EIAARN C[C@@H](c1cccnc1)N(C(=O)Nc1ccccc1-n1cccn1)C1CC1 ZINC000071921458 563626173 /nfs/dbraw/zinc/62/61/73/563626173.db2.gz LANKBSWWDPRNEA-HNNXBMFYSA-N 0 0 347.422 4.025 50 0 EIAARN Fc1ccc(-c2noc3ncnc(NCCc4ccccc4)c23)cc1 ZINC000008595318 563633222 /nfs/dbraw/zinc/63/32/22/563633222.db2.gz LDMUBXSFQBBXFU-UHFFFAOYSA-N 0 0 334.354 4.079 50 0 EIAARN CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)CC2CCCC2)c1 ZINC000008723335 563637649 /nfs/dbraw/zinc/63/76/49/563637649.db2.gz IBLHXHXLBIDJFG-UHFFFAOYSA-N 0 0 336.863 4.245 50 0 EIAARN COc1cccc2ccc(-c3ccccc3CN3CCC(=O)CC3)nc21 ZINC000032593162 563662671 /nfs/dbraw/zinc/66/26/71/563662671.db2.gz IAYPJDHCGCMCOG-UHFFFAOYSA-N 0 0 346.430 4.075 50 0 EIAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccn2)c1 ZINC000012555150 563662734 /nfs/dbraw/zinc/66/27/34/563662734.db2.gz YBGRPIVTZVJOEF-VQIMIIECSA-N 0 0 333.416 4.385 50 0 EIAARN CC(C)(C)c1ccc(C(=O)NCCc2nc(-c3ccccc3)no2)cc1 ZINC000032593647 563662744 /nfs/dbraw/zinc/66/27/44/563662744.db2.gz URSZQLAFSRUCBW-UHFFFAOYSA-N 0 0 349.434 4.007 50 0 EIAARN CC(C)[C@H](NC(=O)c1cc(Cl)ccc1F)c1nc2ccccc2[nH]1 ZINC000012627557 563665791 /nfs/dbraw/zinc/66/57/91/563665791.db2.gz GJYOIVXSJGFSNZ-INIZCTEOSA-N 0 0 345.805 4.483 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)cc3)nc2c1 ZINC000012655252 563667108 /nfs/dbraw/zinc/66/71/08/563667108.db2.gz BJXZJXCYDJMYJD-UHFFFAOYSA-N 0 0 331.828 4.256 50 0 EIAARN COc1ccc(OC)c(CCC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000012785309 563670736 /nfs/dbraw/zinc/67/07/36/563670736.db2.gz ZNEAWTNQBIXDEG-UHFFFAOYSA-N 0 0 333.815 4.237 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)OCc1cc(-c2ccccc2)no1 ZINC000012794029 563672290 /nfs/dbraw/zinc/67/22/90/563672290.db2.gz GIXJVBHFBWWDLJ-UHFFFAOYSA-N 0 0 327.767 4.281 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C)cc1F ZINC000012797217 563673001 /nfs/dbraw/zinc/67/30/01/563673001.db2.gz WHVPXWABPPGGOH-UHFFFAOYSA-N 0 0 327.384 4.213 50 0 EIAARN Cc1cc(C(=O)NC2CCCCCCC2)c(C)n1-c1cccnc1 ZINC000032656470 563676854 /nfs/dbraw/zinc/67/68/54/563676854.db2.gz NYSIIYHZYZOLDB-UHFFFAOYSA-N 0 0 325.456 4.332 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(C)cc1O ZINC000012985974 563681903 /nfs/dbraw/zinc/68/19/03/563681903.db2.gz MKYPWEJNQKZQMS-UHFFFAOYSA-N 0 0 330.434 4.446 50 0 EIAARN Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1F ZINC000012987143 563682376 /nfs/dbraw/zinc/68/23/76/563682376.db2.gz QRUQVOQMRBFERJ-UHFFFAOYSA-N 0 0 325.383 4.224 50 0 EIAARN O=C(Nc1cc(F)cc(F)c1)c1cc(Br)ccc1F ZINC000013006187 563685355 /nfs/dbraw/zinc/68/53/55/563685355.db2.gz QMMSXNXNBUUZAV-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccnc2)N3)C1 ZINC000013217749 563692296 /nfs/dbraw/zinc/69/22/96/563692296.db2.gz LXKUVRGEYJNUFE-WBMJQRKESA-N 0 0 341.480 4.148 50 0 EIAARN Cc1nc2c3ccccc3nc(SCc3nc4ccccc4o3)n2n1 ZINC000013229753 563692640 /nfs/dbraw/zinc/69/26/40/563692640.db2.gz CNQSQTNBHKLGAA-UHFFFAOYSA-N 0 0 347.403 4.019 50 0 EIAARN CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCCc4ccccc43)c2C1 ZINC000013363812 563697114 /nfs/dbraw/zinc/69/71/14/563697114.db2.gz ZVKYXDTXVCLQCA-HNNXBMFYSA-N 0 0 338.451 4.419 50 0 EIAARN CC(=O)c1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1 ZINC000013519138 563700301 /nfs/dbraw/zinc/70/03/01/563700301.db2.gz YFCGOUMIPGYWDE-AWEZNQCLSA-N 0 0 326.465 4.197 50 0 EIAARN O=C(/C=C\c1ccccc1)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000013634872 563705525 /nfs/dbraw/zinc/70/55/25/563705525.db2.gz YCAZSKQWSITQNX-KAMYIIQDSA-N 0 0 340.386 4.072 50 0 EIAARN Fc1ccccc1-c1nn2c(nnc2-c2cc3ccccc3[nH]2)s1 ZINC000013689255 563711703 /nfs/dbraw/zinc/71/17/03/563711703.db2.gz GAGNNFDGGYBNEQ-UHFFFAOYSA-N 0 0 335.367 4.140 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccnc1 ZINC000013691211 563712196 /nfs/dbraw/zinc/71/21/96/563712196.db2.gz ZMHJZKCSXOFXCS-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cnc3c(Cl)cccc3c2O)c1 ZINC000013692198 563712588 /nfs/dbraw/zinc/71/25/88/563712588.db2.gz WRKPVMYIQKRTHR-UHFFFAOYSA-N 0 0 340.766 4.049 50 0 EIAARN CC(C)c1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1 ZINC000013721122 563716382 /nfs/dbraw/zinc/71/63/82/563716382.db2.gz ZBXPBPCERREAMP-UHFFFAOYSA-N 0 0 325.343 4.251 50 0 EIAARN O=C(Nc1ccc2ccccc2n1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000032731971 563722156 /nfs/dbraw/zinc/72/21/56/563722156.db2.gz PDZUZUADFVUHMO-SFHVURJKSA-N 0 0 348.402 4.045 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1Nc1ccc(F)cc1)c1cccnc1 ZINC000032744822 563722233 /nfs/dbraw/zinc/72/22/33/563722233.db2.gz RWFGRGHUKAZRAS-CQSZACIVSA-N 0 0 335.382 4.455 50 0 EIAARN COc1cc(NC(=S)N[C@H]2CCCc3ccccc32)cc(OC)c1 ZINC000013823435 563725633 /nfs/dbraw/zinc/72/56/33/563725633.db2.gz NFXXIEQZLPUQJP-SFHVURJKSA-N 0 0 342.464 4.068 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000032754452 563728079 /nfs/dbraw/zinc/72/80/79/563728079.db2.gz IYMNVDXTKBOHRE-LBPRGKRZSA-N 0 0 344.361 4.343 50 0 EIAARN CC(=O)c1ccc(C(=O)OCc2coc(-c3cccs3)n2)s1 ZINC000032776836 563728369 /nfs/dbraw/zinc/72/83/69/563728369.db2.gz TZLFSWNZDSSPKR-UHFFFAOYSA-N 0 0 333.390 4.024 50 0 EIAARN Cc1ccc(OC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000032768055 563729604 /nfs/dbraw/zinc/72/96/04/563729604.db2.gz PNGHTUMDJJDZCJ-UHFFFAOYSA-N 0 0 342.782 4.237 50 0 EIAARN Cc1ccsc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000014019905 563736072 /nfs/dbraw/zinc/73/60/72/563736072.db2.gz DRBRFXOOXQYYNC-UHFFFAOYSA-N 0 0 344.417 4.161 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc(F)c(F)c1F ZINC000032796740 563738076 /nfs/dbraw/zinc/73/80/76/563738076.db2.gz XNIBYJOYPIUHPG-UHFFFAOYSA-N 0 0 336.288 4.214 50 0 EIAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccs1 ZINC000032797224 563738468 /nfs/dbraw/zinc/73/84/68/563738468.db2.gz FSFLOSGLGAYLIT-LLVKDONJSA-N 0 0 342.386 4.226 50 0 EIAARN C[C@H]1C(=O)Nc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc21 ZINC000014084729 563738560 /nfs/dbraw/zinc/73/85/60/563738560.db2.gz WBZWUHHYQOPFMC-LLVKDONJSA-N 0 0 349.415 4.118 50 0 EIAARN CCCCCNC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032802755 563738802 /nfs/dbraw/zinc/73/88/02/563738802.db2.gz VHGPSNBEYGIXGZ-IBGZPJMESA-N 0 0 336.439 4.142 50 0 EIAARN O=C(CCSc1ccccc1F)NC12CC3CC(CC(C3)C1)C2 ZINC000032808539 563741221 /nfs/dbraw/zinc/74/12/21/563741221.db2.gz PUNDYGQNENCBLX-UHFFFAOYSA-N 0 0 333.472 4.393 50 0 EIAARN O=C(Nc1ccccc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000014169826 563746538 /nfs/dbraw/zinc/74/65/38/563746538.db2.gz WPQMPVAPRCWNLZ-UHFFFAOYSA-N 0 0 347.422 4.316 50 0 EIAARN CN(Cc1cccc(Cl)c1Cl)Cn1ncn(C2CC2)c1=S ZINC000014168633 563746681 /nfs/dbraw/zinc/74/66/81/563746681.db2.gz FGKZAZGVCDEHSA-UHFFFAOYSA-N 0 0 343.283 4.145 50 0 EIAARN Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1Cl ZINC000014182331 563747797 /nfs/dbraw/zinc/74/77/97/563747797.db2.gz LBXYACHCHYETHH-UHFFFAOYSA-N 0 0 342.826 4.023 50 0 EIAARN Cc1nnc(CSc2ncnc3scc(-c4ccccc4)c32)o1 ZINC000014182065 563747858 /nfs/dbraw/zinc/74/78/58/563747858.db2.gz PHFDMWWWRJBAGF-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN Cc1ccc(NC(=O)CSCCC(=O)Nc2cccc(C)c2)cc1 ZINC000014187958 563748487 /nfs/dbraw/zinc/74/84/87/563748487.db2.gz RWDIJDYCMGUFHL-UHFFFAOYSA-N 0 0 342.464 4.004 50 0 EIAARN CSc1ccccc1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000014187000 563748560 /nfs/dbraw/zinc/74/85/60/563748560.db2.gz MFJMIDZQVINXOJ-UHFFFAOYSA-N 0 0 345.449 4.091 50 0 EIAARN C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1F ZINC000032811030 563752749 /nfs/dbraw/zinc/75/27/49/563752749.db2.gz INNRAJWQYLEKFU-LLVKDONJSA-N 0 0 331.778 4.380 50 0 EIAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000014244066 563754246 /nfs/dbraw/zinc/75/42/46/563754246.db2.gz WDTZGLSLDUFCPV-GHMZBOCLSA-N 0 0 339.769 4.263 50 0 EIAARN CC(=O)c1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1 ZINC000014250062 563755632 /nfs/dbraw/zinc/75/56/32/563755632.db2.gz LXKGTUHMWCBBNI-UHFFFAOYSA-N 0 0 338.388 4.390 50 0 EIAARN CCOc1ccc(NS(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000014256121 563756438 /nfs/dbraw/zinc/75/64/38/563756438.db2.gz BUVIRWWSBJACHB-AWEZNQCLSA-N 0 0 333.453 4.400 50 0 EIAARN Cc1ccc2nc(COC(=O)c3cc4c(s3)CC[C@@H](C)C4)cn2c1 ZINC000032829925 563759311 /nfs/dbraw/zinc/75/93/11/563759311.db2.gz ICQLILBKEXORHS-GFCCVEGCSA-N 0 0 340.448 4.186 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032869585 563766765 /nfs/dbraw/zinc/76/67/65/563766765.db2.gz CZJQMEYMJGRCRG-UHFFFAOYSA-N 0 0 337.350 4.238 50 0 EIAARN Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+](C)C1CCOCC1 ZINC000015062776 563774253 /nfs/dbraw/zinc/77/42/53/563774253.db2.gz YXWWKZSFBKEFFX-UHFFFAOYSA-N 0 0 336.435 4.414 50 0 EIAARN O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCc1ccon1 ZINC000015063836 563774611 /nfs/dbraw/zinc/77/46/11/563774611.db2.gz KPWFISKQHPBXON-QGZVFWFLSA-N 0 0 340.810 4.166 50 0 EIAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cc[nH]n2)c1 ZINC000015069041 563775626 /nfs/dbraw/zinc/77/56/26/563775626.db2.gz GQPOHRVKRPHRGQ-QFIPXVFZSA-N 0 0 342.446 4.347 50 0 EIAARN Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc[nH]1 ZINC000015073765 563776094 /nfs/dbraw/zinc/77/60/94/563776094.db2.gz BEPARHBMLVMSSX-NRFANRHFSA-N 0 0 346.409 4.178 50 0 EIAARN COc1ccc(C(=O)CSc2nccc3ccccc32)cc1OC ZINC000015109025 563778313 /nfs/dbraw/zinc/77/83/13/563778313.db2.gz BYPVANQOSLMJRA-UHFFFAOYSA-N 0 0 339.416 4.227 50 0 EIAARN O=c1oc2cc(Oc3ncnc4sccc43)ccc2c2c1CCC2 ZINC000015163394 563779153 /nfs/dbraw/zinc/77/91/53/563779153.db2.gz PRXHQPCNHIXAAQ-UHFFFAOYSA-N 0 0 336.372 4.079 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000032895165 563780722 /nfs/dbraw/zinc/78/07/22/563780722.db2.gz RNYGKDRRKKOFNP-MRXNPFEDSA-N 0 0 345.826 4.335 50 0 EIAARN CCc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000032895342 563781143 /nfs/dbraw/zinc/78/11/43/563781143.db2.gz FVDTUHMBSCTGHZ-UHFFFAOYSA-N 0 0 335.407 4.179 50 0 EIAARN COc1ccc(-c2noc(CN(C)[C@H]3CCCc4ccccc43)n2)cc1 ZINC000015291820 563781416 /nfs/dbraw/zinc/78/14/16/563781416.db2.gz JLOJDWVOPZPJKU-IBGZPJMESA-N 0 0 349.434 4.255 50 0 EIAARN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cn2cc(Cl)ccc2n1 ZINC000032894934 563783092 /nfs/dbraw/zinc/78/30/92/563783092.db2.gz NLQJZVIVVJWOAW-LLVKDONJSA-N 0 0 335.785 4.459 50 0 EIAARN CCOc1ccc(OCCC(=O)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000015561766 563786863 /nfs/dbraw/zinc/78/68/63/563786863.db2.gz VVJPARSEONYGIB-AWEZNQCLSA-N 0 0 347.842 4.385 50 0 EIAARN C[C@H](Nc1nc2ccccc2s1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000032901317 563786938 /nfs/dbraw/zinc/78/69/38/563786938.db2.gz FAMMOKSCSXEDSV-STQMWFEESA-N 0 0 337.448 4.075 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)c1cc(Cl)ccc1F ZINC000015586698 563787966 /nfs/dbraw/zinc/78/79/66/563787966.db2.gz JVZKMLYYIZMXSI-UHFFFAOYSA-N 0 0 331.778 4.491 50 0 EIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=S)Nc2ccccc2)c1 ZINC000015590169 563787974 /nfs/dbraw/zinc/78/79/74/563787974.db2.gz YPYIJFIFYFGMOM-KRWDZBQOSA-N 0 0 342.464 4.238 50 0 EIAARN Cc1c(C(=O)Nc2ccc(NC(N)=O)cc2)sc2cccc(F)c12 ZINC000032901857 563788345 /nfs/dbraw/zinc/78/83/45/563788345.db2.gz SIZQRBKNIGPLBC-UHFFFAOYSA-N 0 0 343.383 4.092 50 0 EIAARN CNC(=O)Nc1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1 ZINC000032903293 563789129 /nfs/dbraw/zinc/78/91/29/563789129.db2.gz DSKXMKZKCGTUIB-UHFFFAOYSA-N 0 0 343.383 4.044 50 0 EIAARN Cc1cc(Nc2cccc(Cl)c2)n2nc(-c3ccco3)nc2n1 ZINC000015780347 563792231 /nfs/dbraw/zinc/79/22/31/563792231.db2.gz FWVSKHKQXIQOQU-UHFFFAOYSA-N 0 0 325.759 4.090 50 0 EIAARN CCCOc1ccc(NC(=O)COc2ccccc2)c2cccnc12 ZINC000015840917 563795830 /nfs/dbraw/zinc/79/58/30/563795830.db2.gz KBBUCFARRDMANT-UHFFFAOYSA-N 0 0 336.391 4.041 50 0 EIAARN Cc1ccccc1S(=O)(=O)N1CCCCC[C@@H]1c1cccs1 ZINC000015866825 563797788 /nfs/dbraw/zinc/79/77/88/563797788.db2.gz QQGLXWQPZFKAMT-OAHLLOKOSA-N 0 0 335.494 4.363 50 0 EIAARN CCOc1ccccc1CS[C@H](C)C(=O)Nc1ccccc1F ZINC000032907797 563800074 /nfs/dbraw/zinc/80/00/74/563800074.db2.gz JXOZJXDRRYCPCM-CYBMUJFWSA-N 0 0 333.428 4.485 50 0 EIAARN COc1ccc(OC)c(CS[C@@H](C)C(=O)Nc2ccccc2F)c1 ZINC000032907806 563800117 /nfs/dbraw/zinc/80/01/17/563800117.db2.gz DGUBCCGQOBIPLW-LBPRGKRZSA-N 0 0 349.427 4.103 50 0 EIAARN O=S(=O)(Oc1ccc(Oc2ccccc2)cc1)c1cccs1 ZINC000016092958 563803111 /nfs/dbraw/zinc/80/31/11/563803111.db2.gz KMBFXZVLJDQVSK-UHFFFAOYSA-N 0 0 332.402 4.308 50 0 EIAARN Cc1cc(C(=O)c2sc3nc(C4CC4)nc(C)c3c2C)c(C)n1C ZINC000032912537 563805937 /nfs/dbraw/zinc/80/59/37/563805937.db2.gz BFPAEYRAFDNDPH-UHFFFAOYSA-N 0 0 339.464 4.372 50 0 EIAARN CCn1c2ccccc2c2cc(NC(=S)NCCCOC)ccc21 ZINC000016220623 563806015 /nfs/dbraw/zinc/80/60/15/563806015.db2.gz MPHBWDQKKCAIRT-UHFFFAOYSA-N 0 0 341.480 4.137 50 0 EIAARN Cc1cc(=O)[nH]c(SCCCOc2ccc(C(C)C)c(C)c2)n1 ZINC000016362259 563809848 /nfs/dbraw/zinc/80/98/48/563809848.db2.gz FHFBCMSUENCLMC-UHFFFAOYSA-N 0 0 332.469 4.071 50 0 EIAARN Cc1ccc(-c2noc(CN(Cc3ccccc3F)C3CC3)n2)cc1 ZINC000016395512 563810124 /nfs/dbraw/zinc/81/01/24/563810124.db2.gz XQEUVEUOHPOJPB-UHFFFAOYSA-N 0 0 337.398 4.349 50 0 EIAARN Cc1ccoc1C(=O)OCc1csc(Nc2ccc(C)cc2)n1 ZINC000016416275 563810921 /nfs/dbraw/zinc/81/09/21/563810921.db2.gz NWCATHUDXKYADM-UHFFFAOYSA-N 0 0 328.393 4.454 50 0 EIAARN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 ZINC000032914213 563811279 /nfs/dbraw/zinc/81/12/79/563811279.db2.gz QESPPESNOULDFD-DYVFJYSZSA-N 0 0 345.402 4.082 50 0 EIAARN Cc1cc(S[C@@H](C)C(=O)NCC2CCCCC2)nc(C(C)C)n1 ZINC000016454258 563812424 /nfs/dbraw/zinc/81/24/24/563812424.db2.gz RWZXOSHVJNVBQS-AWEZNQCLSA-N 0 0 335.517 4.086 50 0 EIAARN C[C@H]1CN(C(=O)c2sc3cccc(Cl)c3c2Cl)C[C@H](C)O1 ZINC000016580449 563815484 /nfs/dbraw/zinc/81/54/84/563815484.db2.gz YPJQTWUTFIAZJE-IUCAKERBSA-N 0 0 344.263 4.458 50 0 EIAARN Cc1ccc(-c2csc(=S)n2CC(=O)Nc2nccs2)cc1 ZINC000016641595 563818493 /nfs/dbraw/zinc/81/84/93/563818493.db2.gz XYJYWAHXJSPYFN-UHFFFAOYSA-N 0 0 347.490 4.350 50 0 EIAARN O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1CNc1ccccc1 ZINC000016671547 563820164 /nfs/dbraw/zinc/82/01/64/563820164.db2.gz HMWNIZVJJYDNBZ-UVZCHINQSA-N 0 0 336.416 4.349 50 0 EIAARN Cc1ccc(C)c(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000016701996 563821510 /nfs/dbraw/zinc/82/15/10/563821510.db2.gz GMGNGWWIFAZLMW-UHFFFAOYSA-N 0 0 329.268 4.180 50 0 EIAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(CC)cc1 ZINC000016751220 563822518 /nfs/dbraw/zinc/82/25/18/563822518.db2.gz HWVAEVYYGWHFSB-LJQANCHMSA-N 0 0 347.414 4.311 50 0 EIAARN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCc2ccccc21 ZINC000016780506 563823670 /nfs/dbraw/zinc/82/36/70/563823670.db2.gz WIYJDSQPTGBDRY-OAQYLSRUSA-N 0 0 345.442 4.156 50 0 EIAARN CCc1nc(C)cn1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000016807797 563824379 /nfs/dbraw/zinc/82/43/79/563824379.db2.gz MFYTURJWSOLVTA-UHFFFAOYSA-N 0 0 332.469 4.039 50 0 EIAARN CC[C@H]1CCCCN1C(=S)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000017067848 563832012 /nfs/dbraw/zinc/83/20/12/563832012.db2.gz NHQWWOZGKYMEMX-AWEZNQCLSA-N 0 0 330.453 4.063 50 0 EIAARN Cc1cccc(NC(=O)NCc2cccc(Br)c2)c1C ZINC000017068507 563832366 /nfs/dbraw/zinc/83/23/66/563832366.db2.gz BXDVLHKZCOQNGT-UHFFFAOYSA-N 0 0 333.229 4.388 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc(N)cc2)cc1Cl ZINC000017070806 563833293 /nfs/dbraw/zinc/83/32/93/563833293.db2.gz FSQDRWFOJNBSTP-JTQLQIEISA-N 0 0 336.844 4.050 50 0 EIAARN Cc1sc2nc3sc(-c4ccc(Cl)cc4)nn3c(=O)c2c1C ZINC000017072321 563835722 /nfs/dbraw/zinc/83/57/22/563835722.db2.gz LRLGNBCXHWPGDW-UHFFFAOYSA-N 0 0 347.852 4.303 50 0 EIAARN COc1ccc(Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000017146838 563838474 /nfs/dbraw/zinc/83/84/74/563838474.db2.gz PZZFBFKFKZTMTB-UHFFFAOYSA-N 0 0 328.375 4.444 50 0 EIAARN Cc1cccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C ZINC000032930562 563841339 /nfs/dbraw/zinc/84/13/39/563841339.db2.gz HQBWXEFCKATCRE-UHFFFAOYSA-N 0 0 332.403 4.421 50 0 EIAARN Cc1ccccc1CC(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000032930556 563841388 /nfs/dbraw/zinc/84/13/88/563841388.db2.gz AOADIUGIJQAQNO-UHFFFAOYSA-N 0 0 332.403 4.041 50 0 EIAARN COc1ccccc1NC(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000018067346 563847771 /nfs/dbraw/zinc/84/77/71/563847771.db2.gz OFSUAKZXDDJGJO-UHFFFAOYSA-N 0 0 340.408 4.166 50 0 EIAARN C[C@]1(CCc2ccccc2)NC(=S)N(c2ccc(Cl)cc2)N1 ZINC000018137478 563849429 /nfs/dbraw/zinc/84/94/29/563849429.db2.gz SRYZLHOQNKMAKS-KRWDZBQOSA-N 0 0 331.872 4.299 50 0 EIAARN Cc1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c(C)c1 ZINC000018155805 563849715 /nfs/dbraw/zinc/84/97/15/563849715.db2.gz JFWAHTOTLIRFHK-OTWHNJEPSA-N 0 0 333.431 4.377 50 0 EIAARN CCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3)s2)c1 ZINC000018210059 563850967 /nfs/dbraw/zinc/85/09/67/563850967.db2.gz RDBSNZPDCZMCPC-UHFFFAOYSA-N 0 0 340.408 4.248 50 0 EIAARN Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000018247113 563851662 /nfs/dbraw/zinc/85/16/62/563851662.db2.gz HCSFDGNFLGIIKS-KDURUIRLSA-N 0 0 333.387 4.243 50 0 EIAARN Cc1noc([C@@H](C)NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1 ZINC000072049642 563861083 /nfs/dbraw/zinc/86/10/83/563861083.db2.gz QPLCTYRHOBCQAV-ZWNOBZJWSA-N 0 0 347.484 4.082 50 0 EIAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccncc2)c(Br)c1 ZINC000043328475 563863110 /nfs/dbraw/zinc/86/31/10/563863110.db2.gz AWENQQVUXXFWOJ-NSHDSACASA-N 0 0 334.217 4.035 50 0 EIAARN Cc1c(C(=O)N[C@H](C)c2cc3ccccc3o2)[nH]c2c1C(=O)CCC2 ZINC000023951917 563867523 /nfs/dbraw/zinc/86/75/23/563867523.db2.gz QLEDAKIRZVABDL-GFCCVEGCSA-N 0 0 336.391 4.079 50 0 EIAARN Cc1nc(NC(=O)c2cccc(C)c2)sc1-c1nccn1C(F)F ZINC000024032255 563868405 /nfs/dbraw/zinc/86/84/05/563868405.db2.gz BWQHFJJPJXWNRZ-UHFFFAOYSA-N 0 0 348.378 4.271 50 0 EIAARN O=C(CCC(=O)c1ccccc1)OCc1coc(-c2ccccc2)n1 ZINC000024290092 563870386 /nfs/dbraw/zinc/87/03/86/563870386.db2.gz DZWUIDYQNJRFNW-UHFFFAOYSA-N 0 0 335.359 4.048 50 0 EIAARN Cc1ccsc1CNC(=O)Nc1ccc(Br)cc1C ZINC000043448792 563870459 /nfs/dbraw/zinc/87/04/59/563870459.db2.gz JVCUDSNDWCIYGX-UHFFFAOYSA-N 0 0 339.258 4.449 50 0 EIAARN CCCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000024441457 563871665 /nfs/dbraw/zinc/87/16/65/563871665.db2.gz VHWHLSYCHMCMIL-SFHVURJKSA-N 0 0 336.435 4.225 50 0 EIAARN Fc1ccc(-c2c[nH]c(Sc3ncnc4ccsc43)n2)cc1 ZINC000024717258 563874432 /nfs/dbraw/zinc/87/44/32/563874432.db2.gz AGFOKHGMESZHID-UHFFFAOYSA-N 0 0 328.397 4.372 50 0 EIAARN C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccs1 ZINC000024760019 563875462 /nfs/dbraw/zinc/87/54/62/563875462.db2.gz XXVKSSJOWRSXRB-SECBINFHSA-N 0 0 349.253 4.483 50 0 EIAARN CCc1nnc(COc2c(Cl)cc(Cl)c3ccc(C)nc32)o1 ZINC000024833221 563876334 /nfs/dbraw/zinc/87/63/34/563876334.db2.gz RUFOWEDZAYHKGS-UHFFFAOYSA-N 0 0 338.194 4.374 50 0 EIAARN O=C(Nc1nc(CN2CCCC2)cs1)c1cc2ccccc2s1 ZINC000024838586 563876634 /nfs/dbraw/zinc/87/66/34/563876634.db2.gz FSBWNHMCSSVIRT-UHFFFAOYSA-N 0 0 343.477 4.206 50 0 EIAARN Cc1ccc(Cn2nccc2NC(=O)c2cccc(Cl)c2)cc1 ZINC000024864203 563876904 /nfs/dbraw/zinc/87/69/04/563876904.db2.gz QDCUGNIRRDJHOS-UHFFFAOYSA-N 0 0 325.799 4.146 50 0 EIAARN Cc1cc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)no1 ZINC000024877661 563877360 /nfs/dbraw/zinc/87/73/60/563877360.db2.gz BOQQVEVSDNNIFU-LJQANCHMSA-N 0 0 332.359 4.249 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000024961507 563878217 /nfs/dbraw/zinc/87/82/17/563878217.db2.gz NKXXOOKPMKKKLZ-UHFFFAOYSA-N 0 0 345.761 4.130 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccsc1 ZINC000024968945 563878496 /nfs/dbraw/zinc/87/84/96/563878496.db2.gz RQHQOLPAYSPZGH-GOSISDBHSA-N 0 0 333.416 4.144 50 0 EIAARN CN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CCc2ccccc21 ZINC000024968650 563878564 /nfs/dbraw/zinc/87/85/64/563878564.db2.gz KAQLJDBXEJRODQ-QGZVFWFLSA-N 0 0 344.252 4.138 50 0 EIAARN CCc1noc(CSc2nnc(Nc3cccc(C)c3C)s2)n1 ZINC000024968305 563878591 /nfs/dbraw/zinc/87/85/91/563878591.db2.gz OVRMKKSDKSLSMB-UHFFFAOYSA-N 0 0 347.469 4.136 50 0 EIAARN O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)[C@@H]1CCCO1 ZINC000025301885 563882980 /nfs/dbraw/zinc/88/29/80/563882980.db2.gz VLDZGHMUIGGYSA-KRWDZBQOSA-N 0 0 349.789 4.176 50 0 EIAARN CC(C)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000025314001 563883306 /nfs/dbraw/zinc/88/33/06/563883306.db2.gz SFHAZWKCHKTJDN-UHFFFAOYSA-N 0 0 348.450 4.100 50 0 EIAARN c1coc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)c1 ZINC000025350795 563883636 /nfs/dbraw/zinc/88/36/36/563883636.db2.gz HLBISSKZSULABF-UHFFFAOYSA-N 0 0 344.465 4.499 50 0 EIAARN c1coc(-c2nc(CSc3nnc(NC4CC4)s3)cs2)c1 ZINC000025350763 563883714 /nfs/dbraw/zinc/88/37/14/563883714.db2.gz YGPLTNRZBJJQLA-UHFFFAOYSA-N 0 0 336.467 4.121 50 0 EIAARN Cc1cc2[nH]c(C(=O)Nc3ccc(N4CCCC4)cn3)cc2c(C)c1 ZINC000025665158 563887055 /nfs/dbraw/zinc/88/70/55/563887055.db2.gz IBAUZQVOSBIIPO-UHFFFAOYSA-N 0 0 334.423 4.032 50 0 EIAARN CN(C)C(=O)[C@@H](c1ccccc1)N(C)Cc1ccc2ccccc2c1 ZINC000025679391 563887304 /nfs/dbraw/zinc/88/73/04/563887304.db2.gz VYXTZXFLSJBIEM-OAQYLSRUSA-N 0 0 332.447 4.101 50 0 EIAARN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000025692647 563887391 /nfs/dbraw/zinc/88/73/91/563887391.db2.gz NPEUOOJCDCSIKQ-LSDHHAIUSA-N 0 0 337.423 4.465 50 0 EIAARN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000025692640 563887444 /nfs/dbraw/zinc/88/74/44/563887444.db2.gz NPEUOOJCDCSIKQ-GJZGRUSLSA-N 0 0 337.423 4.465 50 0 EIAARN O=C1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000025692858 563887462 /nfs/dbraw/zinc/88/74/62/563887462.db2.gz KAEAITWIXLBOTC-VABKMULXSA-N 0 0 328.411 4.415 50 0 EIAARN COCc1ccccc1CNC(=O)N[C@H](C)c1ccccc1Cl ZINC000026390824 563891519 /nfs/dbraw/zinc/89/15/19/563891519.db2.gz YUAHIUBDEFCTFQ-CYBMUJFWSA-N 0 0 332.831 4.047 50 0 EIAARN Cc1[nH]ccc1C(=O)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000175691975 563892195 /nfs/dbraw/zinc/89/21/95/563892195.db2.gz DPHPTOHFNCJUPF-UHFFFAOYSA-N 0 0 343.390 4.028 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)c1cccc(OCc2cscn2)c1 ZINC000026981258 563894446 /nfs/dbraw/zinc/89/44/46/563894446.db2.gz 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/nfs/dbraw/zinc/90/17/29/563901729.db2.gz KUDKPBJJUALESX-AWEZNQCLSA-N 0 0 328.481 4.224 50 0 EIAARN CCN(c1ncnc2c1cnn2-c1ccc(F)cc1)C1CCCCC1 ZINC000028406036 563902772 /nfs/dbraw/zinc/90/27/72/563902772.db2.gz YACQQIMDJNKNFE-UHFFFAOYSA-N 0 0 339.418 4.114 50 0 EIAARN C[C@@H](C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1)n1cccn1 ZINC000028504812 563903099 /nfs/dbraw/zinc/90/30/99/563903099.db2.gz SWLWUTPAISRCOT-YWZLYKJASA-N 0 0 345.402 4.096 50 0 EIAARN Cc1ccc2nc(NC(=O)c3cncn3-c3ccccc3)sc2c1 ZINC000028818195 563904065 /nfs/dbraw/zinc/90/40/65/563904065.db2.gz IIKDCHLPIKQKST-UHFFFAOYSA-N 0 0 334.404 4.043 50 0 EIAARN O=C(NCc1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000029170285 563905246 /nfs/dbraw/zinc/90/52/46/563905246.db2.gz RHEBTKSHJGCLDV-UHFFFAOYSA-N 0 0 330.634 4.094 50 0 EIAARN CC(=O)c1c[nH]c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 ZINC000029146520 563904989 /nfs/dbraw/zinc/90/49/89/563904989.db2.gz MVFYTOYQQPJLDA-UHFFFAOYSA-N 0 0 343.383 4.041 50 0 EIAARN Cc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C)s1 ZINC000029268038 563905403 /nfs/dbraw/zinc/90/54/03/563905403.db2.gz MIVPTCONJIJNEU-UHFFFAOYSA-N 0 0 339.464 4.261 50 0 EIAARN Cc1ccc([C@@H](NC(=O)Nc2nnc(C3CC3)s2)C(C)(C)C)o1 ZINC000072284975 563906307 /nfs/dbraw/zinc/90/63/07/563906307.db2.gz HDYODOHIVRNISQ-GFCCVEGCSA-N 0 0 334.445 4.226 50 0 EIAARN CSCc1nc2ccccc2n1CC(=O)NC1CCCCCCC1 ZINC000029490593 563907044 /nfs/dbraw/zinc/90/70/44/563907044.db2.gz MHDPNLYROOJAGA-UHFFFAOYSA-N 0 0 345.512 4.128 50 0 EIAARN CCc1ccc(Cn2nccc2NC(=O)CCc2ccsc2)cc1 ZINC000029766230 563908516 /nfs/dbraw/zinc/90/85/16/563908516.db2.gz HHSUPNDBCDKBOH-UHFFFAOYSA-N 0 0 339.464 4.127 50 0 EIAARN CC(=O)c1ccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)s1 ZINC000029765917 563908517 /nfs/dbraw/zinc/90/85/17/563908517.db2.gz FHNCWBZOBDXZMO-UHFFFAOYSA-N 0 0 330.434 4.430 50 0 EIAARN CN(Cc1ccccc1NC(=O)CC(C)(C)C)C(=O)c1cccs1 ZINC000072291483 563908982 /nfs/dbraw/zinc/90/89/82/563908982.db2.gz BPOXIIYMPYZFLU-UHFFFAOYSA-N 0 0 344.480 4.395 50 0 EIAARN c1csc(-c2nc(CSc3nnc(-c4ccccc4)o3)no2)c1 ZINC000030025385 563909418 /nfs/dbraw/zinc/90/94/18/563909418.db2.gz KDSBRUDWEWTIFT-UHFFFAOYSA-N 0 0 342.405 4.140 50 0 EIAARN Cc1c2ccccc2sc1-c1csc(CCN2CCCC2=O)n1 ZINC000030447673 563909788 /nfs/dbraw/zinc/90/97/88/563909788.db2.gz AMIVGUSRMPLHGI-UHFFFAOYSA-N 0 0 342.489 4.498 50 0 EIAARN CC(C)(C)C(=O)NCCC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000030510186 563909814 /nfs/dbraw/zinc/90/98/14/563909814.db2.gz PVSGGLOWUVVGOD-UHFFFAOYSA-N 0 0 348.512 4.212 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(C)c2C)c(C)n1Cc1ccccn1 ZINC000030585686 563910071 /nfs/dbraw/zinc/91/00/71/563910071.db2.gz XVNMRKAVVHQTBV-UHFFFAOYSA-N 0 0 333.435 4.417 50 0 EIAARN Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)n2cnc3ccccc32)cc1 ZINC000030646751 563910121 /nfs/dbraw/zinc/91/01/21/563910121.db2.gz KPZCOVBRNNGMCO-LPHOPBHVSA-N 0 0 333.435 4.269 50 0 EIAARN Cn1ccnc1[C@H](NCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000030644270 563910130 /nfs/dbraw/zinc/91/01/30/563910130.db2.gz VEIULOMNZIVWCQ-QGZVFWFLSA-N 0 0 329.806 4.092 50 0 EIAARN CSc1ccc(CN[C@H](c2nccn2C)c2ccccc2F)cc1 ZINC000030645917 563910161 /nfs/dbraw/zinc/91/01/61/563910161.db2.gz PUVZJQBILNLXQH-SFHVURJKSA-N 0 0 341.455 4.160 50 0 EIAARN O=C(Nc1ccc(Cl)cc1F)c1cc(F)ccc1-n1ccnc1 ZINC000072292841 563910247 /nfs/dbraw/zinc/91/02/47/563910247.db2.gz KUEBHULTNXYRPN-UHFFFAOYSA-N 0 0 333.725 4.056 50 0 EIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)NC(C3CC3)C3CC3)c12 ZINC000030801327 563910752 /nfs/dbraw/zinc/91/07/52/563910752.db2.gz ULQHXVJSZVRGAG-UHFFFAOYSA-N 0 0 347.418 4.117 50 0 EIAARN Cc1csc([C@@H]2CCCN(C(=O)C[C@H]3CCc4ccccc43)C2)n1 ZINC000072298871 563912384 /nfs/dbraw/zinc/91/23/84/563912384.db2.gz KSVIDYQIJMQRSX-IAGOWNOFSA-N 0 0 340.492 4.278 50 0 EIAARN Cc1ccccc1OCC(=O)Nc1cccc(COC(C)C)c1C ZINC000072296717 563912613 /nfs/dbraw/zinc/91/26/13/563912613.db2.gz OPFULFWSEAYFDG-UHFFFAOYSA-N 0 0 327.424 4.246 50 0 EIAARN COc1cccc(-c2noc(CCCc3c[nH]c4ccccc34)n2)c1 ZINC000032520356 563913816 /nfs/dbraw/zinc/91/38/16/563913816.db2.gz UTURMSLWXWGEKX-UHFFFAOYSA-N 0 0 333.391 4.402 50 0 EIAARN CCCCn1nnc(NCc2ccc(-c3cccc(Cl)c3C)o2)n1 ZINC000032617110 563914158 /nfs/dbraw/zinc/91/41/58/563914158.db2.gz YIXKQJSQDMHETO-UHFFFAOYSA-N 0 0 345.834 4.307 50 0 EIAARN O=C(CSc1nc2ccccc2s1)N1CC[C@@H]1c1ccccc1 ZINC000032926574 563914489 /nfs/dbraw/zinc/91/44/89/563914489.db2.gz MZFIGSBMCXIFGV-OAHLLOKOSA-N 0 0 340.473 4.362 50 0 EIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccccc2Cl)on1 ZINC000033270077 563915561 /nfs/dbraw/zinc/91/55/61/563915561.db2.gz WUCFJJCUJTVIEH-INIZCTEOSA-N 0 0 332.831 4.358 50 0 EIAARN O=C(NCCCC1(C2OCCO2)CCCCCC1)Nc1ccccc1 ZINC000072306179 563915624 /nfs/dbraw/zinc/91/56/24/563915624.db2.gz SKYLKWIIJDFEPB-UHFFFAOYSA-N 0 0 346.471 4.302 50 0 EIAARN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000032960823 563916652 /nfs/dbraw/zinc/91/66/52/563916652.db2.gz USEVFGBXFDSJRU-DOTOQJQBSA-N 0 0 325.408 4.118 50 0 EIAARN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 ZINC000032961220 563916768 /nfs/dbraw/zinc/91/67/68/563916768.db2.gz CHLQJJCPXVHSQS-UHFFFAOYSA-N 0 0 343.383 4.036 50 0 EIAARN COc1ccccc1OCc1ccc(C(=O)N(C)c2ccccc2)o1 ZINC000000115383 563916995 /nfs/dbraw/zinc/91/69/95/563916995.db2.gz DEVKSROCDFPFBZ-UHFFFAOYSA-N 0 0 337.375 4.144 50 0 EIAARN CCN(CC)C(=O)c1ccccc1C(=O)Oc1ccc(Cl)cc1 ZINC000000315058 563917323 /nfs/dbraw/zinc/91/73/23/563917323.db2.gz SAGIYDFSFWNOKK-UHFFFAOYSA-N 0 0 331.799 4.041 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)ns1)c1ccc2ncsc2c1 ZINC000002860424 563917636 /nfs/dbraw/zinc/91/76/36/563917636.db2.gz SYSSVZSEOAAPCU-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN Cc1ccc2nsnc2c1NC(=O)Cc1cccc2ccccc21 ZINC000000616954 563917700 /nfs/dbraw/zinc/91/77/00/563917700.db2.gz SYFBCMNBUXPXJV-UHFFFAOYSA-N 0 0 333.416 4.334 50 0 EIAARN O[C@H](COCc1ccc(Cl)cc1)CSc1nc2ccccc2o1 ZINC000023114700 563918641 /nfs/dbraw/zinc/91/86/41/563918641.db2.gz USIXDUHOMCFEAM-CQSZACIVSA-N 0 0 349.839 4.151 50 0 EIAARN CC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000034797423 563919740 /nfs/dbraw/zinc/91/97/40/563919740.db2.gz RRHKBUYXWWDYGZ-GDIGMMSISA-N 0 0 331.456 4.305 50 0 EIAARN O=C1CC(c2ccc(Cl)cc2)CC(=O)N1c1ccc(F)c(F)c1 ZINC000032985382 563920702 /nfs/dbraw/zinc/92/07/02/563920702.db2.gz MLZHARHPCSLIHE-UHFFFAOYSA-N 0 0 335.737 4.055 50 0 EIAARN C[C@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2Cl)no1 ZINC000013494852 563920746 /nfs/dbraw/zinc/92/07/46/563920746.db2.gz INAMBEWGYJGZAZ-JTQLQIEISA-N 0 0 345.761 4.020 50 0 EIAARN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000013495233 563920940 /nfs/dbraw/zinc/92/09/40/563920940.db2.gz QTACCAOLRALORM-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccccc2Cl)n1 ZINC000013495357 563921191 /nfs/dbraw/zinc/92/11/91/563921191.db2.gz ZKJHXSKEVLLXMS-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1csc(N(CC(F)(F)F)C(=O)[C@H]2CCc3ccccc32)n1 ZINC000071803772 563922431 /nfs/dbraw/zinc/92/24/31/563922431.db2.gz NJPQTGDIMZZVHM-ZDUSSCGKSA-N 0 0 340.370 4.077 50 0 EIAARN Cc1cc(-c2cccs2)n(CC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000032999148 563922445 /nfs/dbraw/zinc/92/24/45/563922445.db2.gz PEGINNGEDRZETF-UHFFFAOYSA-N 0 0 325.437 4.176 50 0 EIAARN O=C(c1cccc(-n2cccc2)c1)N(C[C@H]1CCOC1)c1ccccc1 ZINC000071805634 563922538 /nfs/dbraw/zinc/92/25/38/563922538.db2.gz FJDOHGJBGRORCK-GOSISDBHSA-N 0 0 346.430 4.161 50 0 EIAARN CON(C)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000033010730 563925119 /nfs/dbraw/zinc/92/51/19/563925119.db2.gz UQSJOBOHNNGICQ-UHFFFAOYSA-N 0 0 348.431 4.418 50 0 EIAARN CCc1noc(-c2ccccc2NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000033012708 563925643 /nfs/dbraw/zinc/92/56/43/563925643.db2.gz YPUUYJPMVZPIEK-UHFFFAOYSA-N 0 0 341.798 4.134 50 0 EIAARN CC(C)C(=O)Nc1nc2cc(NC(=O)C3CCCCC3)ccc2s1 ZINC000033020304 563928898 /nfs/dbraw/zinc/92/88/98/563928898.db2.gz CDPDIIRCHHDLMC-UHFFFAOYSA-N 0 0 345.468 4.410 50 0 EIAARN COc1ccccc1NC(=S)N(C(C)C)[C@@H](C)c1ccccn1 ZINC000013543875 563929828 /nfs/dbraw/zinc/92/98/28/563929828.db2.gz YQXBMQKGEOHGFW-AWEZNQCLSA-N 0 0 329.469 4.259 50 0 EIAARN CCCn1cc(-c2ccnc(N[C@H](C)c3ccc(F)cc3)n2)c(C)n1 ZINC000048393854 563930387 /nfs/dbraw/zinc/93/03/87/563930387.db2.gz XDJYHSGGVZIBMK-CYBMUJFWSA-N 0 0 339.418 4.371 50 0 EIAARN O=C(Cn1ccc2cccc(F)c21)Nc1ccnn1C1CCCCC1 ZINC000048488472 563930452 /nfs/dbraw/zinc/93/04/52/563930452.db2.gz KSGMRZCZLYOGAD-UHFFFAOYSA-N 0 0 340.402 4.121 50 0 EIAARN CC(C)c1cc(C(=O)Nc2ccc(Br)cn2)cs1 ZINC000013746826 563932546 /nfs/dbraw/zinc/93/25/46/563932546.db2.gz SWGZESSOWAOHOD-UHFFFAOYSA-N 0 0 325.231 4.281 50 0 EIAARN CCCN(C(=O)NCc1ccccc1OC)[C@@H]1CCc2ccccc21 ZINC000058157776 563938124 /nfs/dbraw/zinc/93/81/24/563938124.db2.gz YDXMXSAHIBXFFW-LJQANCHMSA-N 0 0 338.451 4.304 50 0 EIAARN COc1ccc(CCNC(=O)N(C)C2CCCCCCC2)c(OC)c1 ZINC000058162111 563938514 /nfs/dbraw/zinc/93/85/14/563938514.db2.gz CDPDHPVMOIVUEG-UHFFFAOYSA-N 0 0 348.487 4.001 50 0 EIAARN C[C@H](CC(=O)N1CCC[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000058222754 563940319 /nfs/dbraw/zinc/94/03/19/563940319.db2.gz YLWREEXYJAYJAH-KUHUBIRLSA-N 0 0 327.399 4.389 50 0 EIAARN Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)Nc2ccccc2)n1 ZINC000058227001 563940332 /nfs/dbraw/zinc/94/03/32/563940332.db2.gz OTTAMVZKZFHUHP-UHFFFAOYSA-N 0 0 342.402 4.045 50 0 EIAARN Cc1nsc2ncc(C(=O)N3CCCSc4ccccc43)cc12 ZINC000058228691 563940466 /nfs/dbraw/zinc/94/04/66/563940466.db2.gz RNTRUMUQFRKEGZ-UHFFFAOYSA-N 0 0 341.461 4.142 50 0 EIAARN CC(=O)Nc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(C)s2)cc1 ZINC000058232162 563940522 /nfs/dbraw/zinc/94/05/22/563940522.db2.gz XVUNGRJQRXNHSY-BCNIOPEESA-N 0 0 342.464 4.248 50 0 EIAARN Cc1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)s1 ZINC000058265427 563941189 /nfs/dbraw/zinc/94/11/89/563941189.db2.gz VIITZKDILGXCTM-UHFFFAOYSA-N 0 0 349.402 4.070 50 0 EIAARN COc1ccc(N(C)C(=O)c2cc3c(ccc4ccccc34)[nH]2)cn1 ZINC000058270280 563941361 /nfs/dbraw/zinc/94/13/61/563941361.db2.gz PQOALHQRQNGCDG-UHFFFAOYSA-N 0 0 331.375 4.001 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)c2sc3ccccc3c2C)cc1 ZINC000058304849 563942127 /nfs/dbraw/zinc/94/21/27/563942127.db2.gz OMNWXGJFGCVNDP-UHFFFAOYSA-N 0 0 338.432 4.445 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@@H]1c1ccccn1 ZINC000058308758 563942198 /nfs/dbraw/zinc/94/21/98/563942198.db2.gz IXRMHCSRIDKMBI-JFIYKMOQSA-N 0 0 326.827 4.202 50 0 EIAARN Cc1sc(Cc2ncc(Cl)n2C)nc1-c1ccc(F)cc1F ZINC000058305603 563942209 /nfs/dbraw/zinc/94/22/09/563942209.db2.gz VNBFPIZJDCVROM-UHFFFAOYSA-N 0 0 339.798 4.374 50 0 EIAARN O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N(Cc1cccnc1)C1CC1 ZINC000058325111 563942512 /nfs/dbraw/zinc/94/25/12/563942512.db2.gz MKOIRZZJRJZYCY-MSOLQXFVSA-N 0 0 326.827 4.030 50 0 EIAARN CCN(CC)c1nc2sc(C(=O)Nc3ccccc3O)cc2s1 ZINC000058356555 563943464 /nfs/dbraw/zinc/94/34/64/563943464.db2.gz JKGLLCAPKDDHIM-UHFFFAOYSA-N 0 0 347.465 4.162 50 0 EIAARN Cc1[nH]c2ccc(C(=O)NCCO[C@@H]3CCCC[C@H]3C)cc2c1C ZINC000058370499 563944060 /nfs/dbraw/zinc/94/40/60/563944060.db2.gz BWTCPMNMSJBRDK-BFUOFWGJSA-N 0 0 328.456 4.110 50 0 EIAARN O=C(NO[C@@H]1CCCCO1)c1cc2sc3ccccc3c2s1 ZINC000058394164 563944883 /nfs/dbraw/zinc/94/48/83/563944883.db2.gz HZKAFVYEVFFESL-CQSZACIVSA-N 0 0 333.434 4.304 50 0 EIAARN C[C@@]1(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)CC1(Cl)Cl ZINC000058412913 563945320 /nfs/dbraw/zinc/94/53/20/563945320.db2.gz AWNQKCLQEWVYRG-CJNGLKHVSA-N 0 0 326.267 4.499 50 0 EIAARN Cc1ccccc1[C@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 ZINC000058434341 563946504 /nfs/dbraw/zinc/94/65/04/563946504.db2.gz CXCQWEHBPHGUMY-AWEZNQCLSA-N 0 0 347.397 4.412 50 0 EIAARN CO[C@@H]1CCN(c2ccc(NC(=O)c3c(C)cc(C)cc3C)cc2)C1 ZINC000096381235 563946851 /nfs/dbraw/zinc/94/68/51/563946851.db2.gz PVVWOCSIIHURJZ-LJQANCHMSA-N 0 0 338.451 4.089 50 0 EIAARN Cc1noc(C)c1COC(=O)c1cccc2c3c([nH]c21)CC[C@@H](C)C3 ZINC000058721023 563947165 /nfs/dbraw/zinc/94/71/65/563947165.db2.gz CCZNLJFEZTXDQO-LLVKDONJSA-N 0 0 338.407 4.255 50 0 EIAARN CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000060376139 563949885 /nfs/dbraw/zinc/94/98/85/563949885.db2.gz DPMVEZCHJVTKKC-DLBZAZTESA-N 0 0 345.874 4.009 50 0 EIAARN Cc1noc(C)c1CNC(=O)Nc1cccc(Cl)c1OC(C)C ZINC000096411515 563950597 /nfs/dbraw/zinc/95/05/97/563950597.db2.gz OUZFNEVKDUPOTM-UHFFFAOYSA-N 0 0 337.807 4.054 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)NCc1cc(Cl)ccc1OC ZINC000096415242 563951180 /nfs/dbraw/zinc/95/11/80/563951180.db2.gz LXGJJDJPBNORBU-MRXNPFEDSA-N 0 0 347.846 4.036 50 0 EIAARN CCOc1ccccc1NC(=O)CN1C[C@H](C)Sc2ccccc21 ZINC000033059236 563951602 /nfs/dbraw/zinc/95/16/02/563951602.db2.gz RLGMICWNYPFXGA-AWEZNQCLSA-N 0 0 342.464 4.025 50 0 EIAARN CCN(CC)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)c(F)c1 ZINC000096428217 563952259 /nfs/dbraw/zinc/95/22/59/563952259.db2.gz ACZNPNQVDKSLOL-ZDUSSCGKSA-N 0 0 331.391 4.125 50 0 EIAARN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1cccnc1 ZINC000096434105 563952908 /nfs/dbraw/zinc/95/29/08/563952908.db2.gz MNHQAYVDLDDLLY-UHFFFAOYSA-N 0 0 332.407 4.198 50 0 EIAARN C[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1)c1ccncc1 ZINC000096446955 563953368 /nfs/dbraw/zinc/95/33/68/563953368.db2.gz LSNFPAUVZMAPMO-HOTGVXAUSA-N 0 0 346.434 4.265 50 0 EIAARN CCn1ccc2ccc(NC(=O)NCCCc3c(C)noc3C)cc21 ZINC000096461007 563954005 /nfs/dbraw/zinc/95/40/05/563954005.db2.gz FGRNGLLEWNAXJP-UHFFFAOYSA-N 0 0 340.427 4.020 50 0 EIAARN C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCSCC1 ZINC000096473559 563954734 /nfs/dbraw/zinc/95/47/34/563954734.db2.gz PPHYQECSUDDGNK-SECBINFHSA-N 0 0 344.267 4.153 50 0 EIAARN CC(C)n1c2cnccc2nc(Nc2cccc(C(F)(F)F)c2)c1=O ZINC000097945132 563957099 /nfs/dbraw/zinc/95/70/99/563957099.db2.gz USIUUABQCMSRJN-UHFFFAOYSA-N 0 0 348.328 4.135 50 0 EIAARN O=S(=O)(Cc1ccccc1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000064984050 563957412 /nfs/dbraw/zinc/95/74/12/563957412.db2.gz LWCIBSBCHNYPPP-IBGZPJMESA-N 0 0 347.455 4.273 50 0 EIAARN CCc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)nc1 ZINC000065370170 563958325 /nfs/dbraw/zinc/95/83/25/563958325.db2.gz PQWKVQNSGFZADU-UHFFFAOYSA-N 0 0 343.434 4.140 50 0 EIAARN CN(C)c1ccc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)s1 ZINC000096635078 563962140 /nfs/dbraw/zinc/96/21/40/563962140.db2.gz XWVXTAFDHVMJEC-SFQUDFHCSA-N 0 0 348.427 4.312 50 0 EIAARN Cc1oc(-c2ccccc2)nc1[C@H]1CC(=O)Nc2cc3n[nH]cc3cc21 ZINC000067724742 563962592 /nfs/dbraw/zinc/96/25/92/563962592.db2.gz JBBZFGXHEVMUBT-HNNXBMFYSA-N 0 0 344.374 4.000 50 0 EIAARN COc1ccccc1/C=C\c1nn2c(nnc2-c2ccccc2)s1 ZINC000096850959 563963088 /nfs/dbraw/zinc/96/30/88/563963088.db2.gz XBGRSPJCSDBLLR-QXMHVHEDSA-N 0 0 334.404 4.032 50 0 EIAARN CC(C)c1noc(CCC(=O)N2CC[C@@H](C)Sc3ccccc32)n1 ZINC000033163000 563964057 /nfs/dbraw/zinc/96/40/57/563964057.db2.gz NKPUNFFYAHIQNC-CYBMUJFWSA-N 0 0 345.468 4.043 50 0 EIAARN COc1ccc(-c2ccnc3c(-c4ccc(F)cc4)cnn32)cc1OC ZINC000071375605 563964227 /nfs/dbraw/zinc/96/42/27/563964227.db2.gz UGUQVCNMGJHMFA-UHFFFAOYSA-N 0 0 349.365 4.220 50 0 EIAARN O=C(NCc1ccc(-n2ccnc2)cc1)C1(c2ccccc2)CCCC1 ZINC000071385183 563964272 /nfs/dbraw/zinc/96/42/72/563964272.db2.gz VVKJQHFOBDWNCZ-UHFFFAOYSA-N 0 0 345.446 4.001 50 0 EIAARN FC(F)(F)CCc1ccnc(NCc2cnc3ccccc3c2)n1 ZINC000071575397 563964553 /nfs/dbraw/zinc/96/45/53/563964553.db2.gz CDCSSDYJCCEFRJ-UHFFFAOYSA-N 0 0 332.329 4.132 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)c1O ZINC000071613976 563964589 /nfs/dbraw/zinc/96/45/89/563964589.db2.gz UIFXYDQINCMQOD-INIZCTEOSA-N 0 0 341.426 4.325 50 0 EIAARN CCOc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000033191899 563964712 /nfs/dbraw/zinc/96/47/12/563964712.db2.gz NGUZZPUKVLBPAD-NSHDSACASA-N 0 0 339.844 4.056 50 0 EIAARN COc1ccc(F)cc1-c1nccn1C[C@H](OC)c1cccs1 ZINC000071714476 563964791 /nfs/dbraw/zinc/96/47/91/563964791.db2.gz RMJRBBFEDPKOPT-HNNXBMFYSA-N 0 0 332.400 4.147 50 0 EIAARN Cc1cccc(NC(=O)c2cc3cccc(Br)c3o2)n1 ZINC000033219080 563964896 /nfs/dbraw/zinc/96/48/96/563964896.db2.gz CYHWYZKFYHEOOC-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c(O)c1 ZINC000071738462 563964897 /nfs/dbraw/zinc/96/48/97/563964897.db2.gz YRMLGOUIGSHBOO-KRWDZBQOSA-N 0 0 341.426 4.325 50 0 EIAARN O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1csc2ccccc12 ZINC000033218646 563964904 /nfs/dbraw/zinc/96/49/04/563964904.db2.gz GPUVQWVWLQBDIC-UHFFFAOYSA-N 0 0 340.379 4.177 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000071757096 563965285 /nfs/dbraw/zinc/96/52/85/563965285.db2.gz BZZJSQHSAISNKZ-INIZCTEOSA-N 0 0 343.446 4.157 50 0 EIAARN O=C(c1cccc(F)c1)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000033255918 563966153 /nfs/dbraw/zinc/96/61/53/563966153.db2.gz UCBPNLCDDYZIBZ-UHFFFAOYSA-N 0 0 338.407 4.148 50 0 EIAARN Cc1ccc(-c2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)cc1 ZINC000033257184 563966168 /nfs/dbraw/zinc/96/61/68/563966168.db2.gz WPAYCJLQLXPLPM-UHFFFAOYSA-N 0 0 336.395 4.242 50 0 EIAARN Cc1nc(-c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)no1 ZINC000033257652 563966192 /nfs/dbraw/zinc/96/61/92/563966192.db2.gz VYGKJPNCKFXAFL-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1ccccn1 ZINC000033257428 563966195 /nfs/dbraw/zinc/96/61/95/563966195.db2.gz XFRCXSVPMILZEJ-UHFFFAOYSA-N 0 0 335.367 4.043 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(NC(=O)NC(C)C)c3)no2)cc1 ZINC000033257456 563966198 /nfs/dbraw/zinc/96/61/98/563966198.db2.gz LZJSNSBKWGCZQV-UHFFFAOYSA-N 0 0 336.395 4.242 50 0 EIAARN COc1cc(CNc2cccnc2OC(C)C)c(SC)cc1OC ZINC000097002737 563966616 /nfs/dbraw/zinc/96/66/16/563966616.db2.gz UKYPCXLATGHIGL-UHFFFAOYSA-N 0 0 348.468 4.220 50 0 EIAARN Cc1cc(C)n2c(CNc3cccc(Oc4ccccn4)c3)cnc2n1 ZINC000097051014 563967127 /nfs/dbraw/zinc/96/71/27/563967127.db2.gz BJDYNZGNSHDEPA-UHFFFAOYSA-N 0 0 345.406 4.146 50 0 EIAARN Cc1nc2ccccc2nc1SCc1nnc(C2CC2)n1C1CC1 ZINC000097083531 563967302 /nfs/dbraw/zinc/96/73/02/563967302.db2.gz RGGIJYWBQXXPKN-UHFFFAOYSA-N 0 0 337.452 4.034 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000075875891 563967528 /nfs/dbraw/zinc/96/75/28/563967528.db2.gz RHVIFMFJOOWUDZ-UHFFFAOYSA-N 0 0 327.453 4.029 50 0 EIAARN Cc1c(N[C@H](C)c2nnc(CC(C)C)o2)cnn1-c1ccccc1F ZINC000097102921 563967573 /nfs/dbraw/zinc/96/75/73/563967573.db2.gz RWZAPDZDCRVGHL-GFCCVEGCSA-N 0 0 343.406 4.074 50 0 EIAARN COCc1c(Cl)cccc1NC(=O)Nc1c(C)noc1C1CC1 ZINC000097103434 563967582 /nfs/dbraw/zinc/96/75/82/563967582.db2.gz GNUDUDWSYGJXAF-UHFFFAOYSA-N 0 0 335.791 4.304 50 0 EIAARN Cn1c2cccc3c2c(c(-c2ccccc2)c1=O)-c1ccccc1C3=O ZINC000000033446 563967756 /nfs/dbraw/zinc/96/77/56/563967756.db2.gz ZKGNACLKYZGBPQ-UHFFFAOYSA-N 0 0 337.378 4.417 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](c1ccc(C(C)(C)C)cc1)[NH2+]CC2 ZINC000000034460 563967839 /nfs/dbraw/zinc/96/78/39/563967839.db2.gz CSOOWMINZBTBLR-HXUWFJFHSA-N 0 0 325.452 4.236 50 0 biogenic EIAARN C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc21 ZINC000000034891 563967849 /nfs/dbraw/zinc/96/78/49/563967849.db2.gz VJPQGQKYEPPMAS-NSHDSACASA-N 0 0 336.218 4.350 50 0 EIAARN Cc1nc2ccc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc2s1 ZINC000097112827 563967873 /nfs/dbraw/zinc/96/78/73/563967873.db2.gz LGDUWXRYIFUSPV-OAHLLOKOSA-N 0 0 341.440 4.087 50 0 EIAARN Nc1c(Cl)cc(NC(=O)N2CCC[C@H]2C2CCC2)cc1Cl ZINC000097117701 563968096 /nfs/dbraw/zinc/96/80/96/563968096.db2.gz PPCBVKLXMWFDEP-ZDUSSCGKSA-N 0 0 328.243 4.372 50 0 EIAARN CC(C)c1noc(CCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)n1 ZINC000097141258 563968301 /nfs/dbraw/zinc/96/83/01/563968301.db2.gz GLDMHTDJIDVBMN-UHFFFAOYSA-N 0 0 347.434 4.092 50 0 EIAARN Cc1cc(=O)oc2cc(Cl)c(OCC(=O)c3ccccc3)cc12 ZINC000000036269 563968350 /nfs/dbraw/zinc/96/83/50/563968350.db2.gz OIVNJJHYORYIFQ-UHFFFAOYSA-N 0 0 328.751 4.017 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc2)n1 ZINC000077301182 563968830 /nfs/dbraw/zinc/96/88/30/563968830.db2.gz GUDQGMKJGZWBIV-FQEVSTJZSA-N 0 0 349.409 4.215 50 0 EIAARN Cc1cc(C)c2nc(C)cc(C(=O)N(C)[C@H](C)c3cncs3)c2c1 ZINC000077304059 563968886 /nfs/dbraw/zinc/96/88/86/563968886.db2.gz QAKOLRQSBVTQIC-CQSZACIVSA-N 0 0 339.464 4.450 50 0 EIAARN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cccc(F)c2F)c1C ZINC000077320608 563968953 /nfs/dbraw/zinc/96/89/53/563968953.db2.gz AHZXHPZJKDBAAN-UHFFFAOYSA-N 0 0 328.362 4.301 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](COc3ccccc3C)C2)c(F)c1 ZINC000077378421 563969264 /nfs/dbraw/zinc/96/92/64/563969264.db2.gz YZNBGYVMTDCELK-KRWDZBQOSA-N 0 0 341.426 4.374 50 0 EIAARN c1coc(-c2cc(Cn3ccnc3-c3ccnc4ccccc43)no2)c1 ZINC000077394271 563969393 /nfs/dbraw/zinc/96/93/93/563969393.db2.gz IWBGJPPRSAUWEQ-UHFFFAOYSA-N 0 0 342.358 4.395 50 0 EIAARN COc1cccc([C@H]2CCCCN2C(=O)c2csc(C(C)=O)c2)c1 ZINC000077420406 563969517 /nfs/dbraw/zinc/96/95/17/563969517.db2.gz LSINEKLGEWCXGY-QGZVFWFLSA-N 0 0 343.448 4.327 50 0 EIAARN Cc1ccc([C@@H](C)n2ccnc2-c2cnc(-c3cccs3)nc2)nc1 ZINC000077453784 563969729 /nfs/dbraw/zinc/96/97/29/563969729.db2.gz ZJAJCERXAZMSKQ-CQSZACIVSA-N 0 0 347.447 4.381 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc3c(C)cc(C)cc23)on1 ZINC000077456170 563969782 /nfs/dbraw/zinc/96/97/82/563969782.db2.gz GOGOTJVUDGRASR-SFHVURJKSA-N 0 0 349.434 4.434 50 0 EIAARN Cc1ccc2c(c1)[C@H](n1ccnc1-c1ccc(CO)o1)CC(C)(C)O2 ZINC000077505477 563970077 /nfs/dbraw/zinc/97/00/77/563970077.db2.gz TWAPYFLBTOOLIM-MRXNPFEDSA-N 0 0 338.407 4.094 50 0 EIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000033270079 563971787 /nfs/dbraw/zinc/97/17/87/563971787.db2.gz QCYSUZWZORJXFO-INIZCTEOSA-N 0 0 332.831 4.358 50 0 EIAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000033271179 563971793 /nfs/dbraw/zinc/97/17/93/563971793.db2.gz DYTSJOXCXDRLSJ-VDGAXYAQSA-N 0 0 337.419 4.280 50 0 EIAARN CCCc1cc(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)n(C)n1 ZINC000082156818 563972741 /nfs/dbraw/zinc/97/27/41/563972741.db2.gz XGSMSMJNMKLPKM-HNNXBMFYSA-N 0 0 345.874 4.046 50 0 EIAARN c1cn(CC2CC2)c([C@H]2CCCN(c3nccc4ccccc43)C2)n1 ZINC000082166414 563972883 /nfs/dbraw/zinc/97/28/83/563972883.db2.gz IFQUTTNFERMKSX-SFHVURJKSA-N 0 0 332.451 4.225 50 0 EIAARN O=C(NCC1CCCCC1)c1sc2ncccc2c1-n1cccc1 ZINC000033298007 563973107 /nfs/dbraw/zinc/97/31/07/563973107.db2.gz MGYUXJSSFUKHKW-UHFFFAOYSA-N 0 0 339.464 4.397 50 0 EIAARN Cc1cc(NC(=O)/C=C\c2ccco2)ccc1NC(=O)c1ccccc1 ZINC000033299908 563973199 /nfs/dbraw/zinc/97/31/99/563973199.db2.gz YOWTVLCJHXEBBD-BENRWUELSA-N 0 0 346.386 4.492 50 0 EIAARN C[C@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CS1 ZINC000585140798 563973342 /nfs/dbraw/zinc/97/33/42/563973342.db2.gz JPSIQVAIYLTRAH-WMLDXEAASA-N 0 0 333.501 4.400 50 0 EIAARN O=C(Nc1ccc(NC[C@H]2CCCCO2)cc1)N1CCCCCC1 ZINC000585140217 563973370 /nfs/dbraw/zinc/97/33/70/563973370.db2.gz AASKGNOETXWSKQ-GOSISDBHSA-N 0 0 331.460 4.076 50 0 EIAARN Cc1nc(C)c(CNc2ccc(NC(=O)N3CCCCCC3)cc2)o1 ZINC000585141653 563973391 /nfs/dbraw/zinc/97/33/91/563973391.db2.gz YRPLKVPSGUCBIT-UHFFFAOYSA-N 0 0 342.443 4.311 50 0 EIAARN CCOc1ccccc1NC(=O)/C=C\c1ccc(Br)cc1 ZINC000033311073 563973534 /nfs/dbraw/zinc/97/35/34/563973534.db2.gz OQJCKPVCJZRBSN-XFXZXTDPSA-N 0 0 346.224 4.500 50 0 EIAARN CCSc1nnc(NC(=O)/C=C\c2ccc(C(C)C)cc2)s1 ZINC000033317275 563973659 /nfs/dbraw/zinc/97/36/59/563973659.db2.gz JHBWJNVEYDAKCK-YFHOEESVSA-N 0 0 333.482 4.425 50 0 EIAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000000070659 563974127 /nfs/dbraw/zinc/97/41/27/563974127.db2.gz SUFRJZGOFMTHPI-IBGZPJMESA-N 0 0 349.434 4.077 50 0 EIAARN O=c1oc2ccccc2cc1-c1csc(Nc2cccc(O)c2)n1 ZINC000000070757 563974142 /nfs/dbraw/zinc/97/41/42/563974142.db2.gz ONHKWSZCIJFDNI-UHFFFAOYSA-N 0 0 336.372 4.366 50 0 EIAARN O=C(c1c(F)cccc1Cl)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 ZINC000585148959 563974181 /nfs/dbraw/zinc/97/41/81/563974181.db2.gz NDYNOYIVEGJCGW-CQSZACIVSA-N 0 0 345.801 4.044 50 0 EIAARN C[C@H]1Cc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c2C(=O)[C@H]1C ZINC000000106072 563974248 /nfs/dbraw/zinc/97/42/48/563974248.db2.gz YXCWRLCZWVCEDO-KBPBESRZSA-N 0 0 332.403 4.256 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000077622 563974549 /nfs/dbraw/zinc/97/45/49/563974549.db2.gz WOKYWROWSGOHHJ-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc[n+]1[O-] ZINC000060769248 563974636 /nfs/dbraw/zinc/97/46/36/563974636.db2.gz WXXPCQZVYOWIOQ-UHFFFAOYSA-N 0 0 348.446 4.040 50 0 EIAARN Cc1nc2c(cnn2CCc2ccccc2)c(Nc2ccccc2)n1 ZINC000000082114 563974872 /nfs/dbraw/zinc/97/48/72/563974872.db2.gz SIVJHUIQRSSEML-UHFFFAOYSA-N 0 0 329.407 4.121 50 0 EIAARN CCCCc1nc(CN2C(=O)NC3(CCCCCCC3)C2=O)cs1 ZINC000060802723 563974938 /nfs/dbraw/zinc/97/49/38/563974938.db2.gz UHYIDADTGANQFI-UHFFFAOYSA-N 0 0 349.500 4.021 50 0 EIAARN O=C(OCc1ccccc1)c1nn(Cc2ccccc2)c2ccccc21 ZINC000090624601 563974964 /nfs/dbraw/zinc/97/49/64/563974964.db2.gz PBFSDBVIGNCTEE-UHFFFAOYSA-N 0 0 342.398 4.442 50 0 EIAARN CC(C)(C)OC(=O)N1CCCc2ccc(NCC3=CCCOC3)cc21 ZINC000132222778 563975847 /nfs/dbraw/zinc/97/58/47/563975847.db2.gz AZBYITDTRVPJPX-UHFFFAOYSA-N 0 0 344.455 4.133 50 0 EIAARN C[C@@H]1CN=C(N(CCc2ccccc2)C(=O)Nc2ccccc2)S1 ZINC000000086889 563975895 /nfs/dbraw/zinc/97/58/95/563975895.db2.gz MLRIXECAIIFHKO-OAHLLOKOSA-N 0 0 339.464 4.255 50 0 EIAARN CCCCn1ccnc1C1CCN(C(=O)CCc2cccs2)CC1 ZINC000095502005 563977100 /nfs/dbraw/zinc/97/71/00/563977100.db2.gz HPHJTOXOGKZPGM-UHFFFAOYSA-N 0 0 345.512 4.084 50 0 EIAARN Cc1ccc2nc(C)c(C)c(C(=O)N(C)C3CCSCC3)c2c1 ZINC000095511951 563977253 /nfs/dbraw/zinc/97/72/53/563977253.db2.gz LYJJMHRTNPFPBV-UHFFFAOYSA-N 0 0 328.481 4.128 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2c(C)c(C)nc3ccc(C)cc32)no1 ZINC000095517638 563977297 /nfs/dbraw/zinc/97/72/97/563977297.db2.gz RQDLLGIJNBZDNN-LJQANCHMSA-N 0 0 349.434 4.434 50 0 EIAARN CCCO[C@@H]1CCCN(C(=O)Nc2cccc(-n3cccc3)c2C)C1 ZINC000096148723 563979622 /nfs/dbraw/zinc/97/96/22/563979622.db2.gz NXUZYDKJXHHCGO-QGZVFWFLSA-N 0 0 341.455 4.209 50 0 EIAARN c1c(-c2ccccc2)sc2ncnc(N3CCCSCC3)c12 ZINC000060842467 563981606 /nfs/dbraw/zinc/98/16/06/563981606.db2.gz XZDMPILLZCOFRD-UHFFFAOYSA-N 0 0 327.478 4.302 50 0 EIAARN CCCN(CCC)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000033392130 563983476 /nfs/dbraw/zinc/98/34/76/563983476.db2.gz ZZDMGBWQFIICHP-JUBDITTISA-N 0 0 344.480 4.359 50 0 EIAARN Cc1cc2nnc(S[C@@H](C)OC(=O)OC(C)C)n2c2ccccc12 ZINC000119815181 563983751 /nfs/dbraw/zinc/98/37/51/563983751.db2.gz XSVXGMZARODOND-LBPRGKRZSA-N 0 0 345.424 4.191 50 0 EIAARN Cc1cc(C)n(-c2nc(C)c(C(=O)Nc3ccc(C)cc3C)s2)n1 ZINC000014608773 563986141 /nfs/dbraw/zinc/98/61/41/563986141.db2.gz MTIWNPVBPZZHSO-UHFFFAOYSA-N 0 0 340.452 4.123 50 0 EIAARN CCCCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(C)cc1 ZINC000014610564 563986151 /nfs/dbraw/zinc/98/61/51/563986151.db2.gz YCHOYVYXXWPIAU-UHFFFAOYSA-N 0 0 338.411 4.289 50 0 EIAARN O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1C(C1CCC1)C1CCC1 ZINC000328595224 563986152 /nfs/dbraw/zinc/98/61/52/563986152.db2.gz OLXHKINTTJFODP-UHFFFAOYSA-N 0 0 346.858 4.073 50 0 EIAARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)C(C)(C)C)cc1 ZINC000014610616 563986172 /nfs/dbraw/zinc/98/61/72/563986172.db2.gz DQAUBEPOHDEGGO-UHFFFAOYSA-N 0 0 338.411 4.145 50 0 EIAARN Cn1c(Cl)cnc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000014670808 563986377 /nfs/dbraw/zinc/98/63/77/563986377.db2.gz PWSNBYJWHGVQRI-LBPRGKRZSA-N 0 0 332.860 4.020 50 0 EIAARN COc1cccc(NC(=O)/C(Br)=C/c2ccccc2)c1 ZINC000000113565 563986603 /nfs/dbraw/zinc/98/66/03/563986603.db2.gz YKSWAXOAGPESSO-GDNBJRDFSA-N 0 0 332.197 4.070 50 0 EIAARN Cc1cc(OCC(=O)Nc2ccc(N(C)C)cc2)cc(C)c1Cl ZINC000000129284 563986932 /nfs/dbraw/zinc/98/69/32/563986932.db2.gz DCBIPBNUJJCXQW-UHFFFAOYSA-N 0 0 332.831 4.040 50 0 EIAARN COc1ccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)cc1 ZINC000000134069 563986946 /nfs/dbraw/zinc/98/69/46/563986946.db2.gz FPGZSXIHMSALRO-UHFFFAOYSA-N 0 0 329.355 4.159 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc32)cc1C ZINC000000149208 563987349 /nfs/dbraw/zinc/98/73/49/563987349.db2.gz XRUKGWFNGXABNJ-UHFFFAOYSA-N 0 0 333.387 4.252 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc3ccccc32)cc1 ZINC000000151398 563987415 /nfs/dbraw/zinc/98/74/15/563987415.db2.gz PGSLNZDMRUXXQG-AWEZNQCLSA-N 0 0 349.386 4.032 50 0 EIAARN O=C1C(=Nc2ccccc2)C[C@@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000000191526 563988178 /nfs/dbraw/zinc/98/81/78/563988178.db2.gz UEOMAONEBCYQBF-NRFANRHFSA-N 0 0 342.398 4.476 50 0 EIAARN O=C1CSC2(CCCCC2)N1c1ccc(Br)cc1 ZINC000000193695 563988211 /nfs/dbraw/zinc/98/82/11/563988211.db2.gz UYJZMBWICOIZIL-UHFFFAOYSA-N 0 0 326.259 4.189 50 0 EIAARN CCCC(=O)NCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000000200659 563988349 /nfs/dbraw/zinc/98/83/49/563988349.db2.gz GRRMQBRKSCLKRD-UHFFFAOYSA-N 0 0 335.451 4.118 50 0 EIAARN CC(C)Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000000200662 563988352 /nfs/dbraw/zinc/98/83/52/563988352.db2.gz DDTWIFBELZQGFY-UHFFFAOYSA-N 0 0 341.842 4.276 50 0 EIAARN CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 ZINC000000213955 563988618 /nfs/dbraw/zinc/98/86/18/563988618.db2.gz NNIDFDGGXNCJLZ-GFCCVEGCSA-N 0 0 332.494 4.080 50 0 EIAARN O=C(NC1CCCCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000000217803 563988746 /nfs/dbraw/zinc/98/87/46/563988746.db2.gz DYGIAVVVEDXNSL-UHFFFAOYSA-N 0 0 331.419 4.359 50 0 EIAARN COc1ccccc1NC(=O)CCn1c2ccccc2oc1=S ZINC000000223753 563988867 /nfs/dbraw/zinc/98/88/67/563988867.db2.gz KTKDGYCSLCJGOQ-UHFFFAOYSA-N 0 0 328.393 4.001 50 0 EIAARN CCc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 ZINC000000222395 563988869 /nfs/dbraw/zinc/98/88/69/563988869.db2.gz OUFJXFIDTODFHQ-SJORKVTESA-N 0 0 339.830 4.035 50 0 EIAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000000239156 563989098 /nfs/dbraw/zinc/98/90/98/563989098.db2.gz MHDGADJMKCLDOM-UHFFFAOYSA-N 0 0 337.444 4.391 50 0 EIAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC)CC2=O)cc1 ZINC000000252000 563989517 /nfs/dbraw/zinc/98/95/17/563989517.db2.gz WINLGPZAYVIGNH-MRXNPFEDSA-N 0 0 333.435 4.139 50 0 EIAARN Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2C)CC1=O ZINC000000251970 563989525 /nfs/dbraw/zinc/98/95/25/563989525.db2.gz JGWBPZNKQZZEHZ-CYBMUJFWSA-N 0 0 339.826 4.056 50 0 EIAARN COc1cccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)c1 ZINC000000324361 563991201 /nfs/dbraw/zinc/99/12/01/563991201.db2.gz MEVFHNHMJKWHDP-CPNJWEJPSA-N 0 0 329.355 4.193 50 0 EIAARN Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000000324712 563991212 /nfs/dbraw/zinc/99/12/12/563991212.db2.gz CRBUHFYSCCJYCE-UHFFFAOYSA-N 0 0 347.418 4.065 50 0 EIAARN CCc1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1 ZINC000000354341 563991598 /nfs/dbraw/zinc/99/15/98/563991598.db2.gz WCKZVQZZIBAUBG-UHFFFAOYSA-N 0 0 327.383 4.301 50 0 EIAARN CCOc1ccc(Cl)cc1/C=C1/N=C(c2ccccc2)OC1=O ZINC000000382957 563991941 /nfs/dbraw/zinc/99/19/41/563991941.db2.gz IFXYFWOOKKFKHH-RVDMUPIBSA-N 0 0 327.767 4.083 50 0 EIAARN COc1ccc(Cl)c(NC(=O)c2cnn(C)c2-c2ccccc2)c1 ZINC000408513799 563992774 /nfs/dbraw/zinc/99/27/74/563992774.db2.gz BWBXZHSDXSXWOV-UHFFFAOYSA-N 0 0 341.798 4.001 50 0 EIAARN CC(C)c1nnc(CNc2ncc(Br)cc2Cl)s1 ZINC000408514602 563992937 /nfs/dbraw/zinc/99/29/37/563992937.db2.gz WODRQVGRBFPDSF-UHFFFAOYSA-N 0 0 347.669 4.085 50 0 EIAARN CCOC(=O)N[C@H](Cc1ccccc1)c1csc([C@H]2CCCO2)n1 ZINC000408523968 563993236 /nfs/dbraw/zinc/99/32/36/563993236.db2.gz OYVVJWLDHGYDKG-GDBMZVCRSA-N 0 0 346.452 4.025 50 0 EIAARN Cc1cc(C)nc(SCC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000000388920 563995725 /nfs/dbraw/zinc/99/57/25/563995725.db2.gz PMZUWBFRTQHEOU-UHFFFAOYSA-N 0 0 342.251 4.131 50 0 EIAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1cc(C)ccn1 ZINC000121517543 563994135 /nfs/dbraw/zinc/99/41/35/563994135.db2.gz HOYOPZFLFVLUPL-UHFFFAOYSA-N 0 0 328.366 4.083 50 0 EIAARN Cc1cnccc1NC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000121701808 563994192 /nfs/dbraw/zinc/99/41/92/563994192.db2.gz VGZVMVSFMSPKMD-HNNXBMFYSA-N 0 0 327.453 4.036 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3CC(C)(C)C)[nH]n2)s1 ZINC000061527090 563994480 /nfs/dbraw/zinc/99/44/80/563994480.db2.gz VDXNITZOEJUHMH-CYBMUJFWSA-N 0 0 331.485 4.487 50 0 EIAARN CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 ZINC000005136142 563994573 /nfs/dbraw/zinc/99/45/73/563994573.db2.gz RPERTABIPADPCY-UHFFFAOYSA-N 0 0 340.423 4.247 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)Cc3c(F)cccc3F)c2)oc1C ZINC000124327322 563995158 /nfs/dbraw/zinc/99/51/58/563995158.db2.gz JMTXGFMGLFVRSP-UHFFFAOYSA-N 0 0 342.345 4.418 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2Br)[C@H]1C ZINC000248127808 563995254 /nfs/dbraw/zinc/99/52/54/563995254.db2.gz 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NC(=O)c1cc2cc(Cl)ccc2oc1=Nc1ccc(Cl)cc1 ZINC000252677382 563998138 /nfs/dbraw/zinc/99/81/38/563998138.db2.gz YNMFMXOJBDZPEL-UHFFFAOYSA-N 0 0 333.174 4.071 50 0 EIAARN COc1ccc(Cl)cc1N1C(=O)CS[C@@H]1c1cccc(F)c1 ZINC000000423926 563998397 /nfs/dbraw/zinc/99/83/97/563998397.db2.gz JNUPPVRLMLRTGG-MRXNPFEDSA-N 0 0 337.803 4.266 50 0 EIAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(SC)cc2)cc1 ZINC000000423944 563998404 /nfs/dbraw/zinc/99/84/04/563998404.db2.gz ZOCHZIIQPXPMTF-QGZVFWFLSA-N 0 0 331.462 4.196 50 0 EIAARN O=C1CS[C@H](c2ccc(F)c(F)c2)N1c1c(F)cccc1F ZINC000000424048 563998435 /nfs/dbraw/zinc/99/84/35/563998435.db2.gz VTSPAKPIOYCXOH-OAHLLOKOSA-N 0 0 327.302 4.022 50 0 EIAARN O=C(CSc1nccn1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000000427348 563998666 /nfs/dbraw/zinc/99/86/66/563998666.db2.gz FPOBOIWLZGCOSO-UHFFFAOYSA-N 0 0 343.839 4.257 50 0 EIAARN COc1ccc2nc3sc(C(=O)N4CCC(C)CC4)cc3cc2c1 ZINC000000428359 563998880 /nfs/dbraw/zinc/99/88/80/563998880.db2.gz PVWJKKLKIIRWAL-UHFFFAOYSA-N 0 0 340.448 4.330 50 0 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329.421 4.194 50 0 EIAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C=C(C)C ZINC000000145651 564012127 /nfs/dbraw/zinc/01/21/27/564012127.db2.gz CFCZUPYLHRXFHD-UHFFFAOYSA-N 0 0 329.421 4.497 50 0 EIAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(F)cc1 ZINC000000190929 564012180 /nfs/dbraw/zinc/01/21/80/564012180.db2.gz YOKJXMVSYHLFMR-UHFFFAOYSA-N 0 0 334.322 4.480 50 0 EIAARN Cc1nc2ccc(NC(=S)N3c4ccccc4C[C@@H]3C)cc2nc1C ZINC000000445682 564012627 /nfs/dbraw/zinc/01/26/27/564012627.db2.gz PWLHHBDSURTHJF-LBPRGKRZSA-N 0 0 348.475 4.395 50 0 EIAARN O=Cc1cn(CCOc2ccc(Br)cc2)c2ccccc12 ZINC000000453462 564012646 /nfs/dbraw/zinc/01/26/46/564012646.db2.gz JRXVXTQKFHSPRO-UHFFFAOYSA-N 0 0 344.208 4.295 50 0 EIAARN O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1c1ccc2ccccc2c1 ZINC000000477217 564012711 /nfs/dbraw/zinc/01/27/11/564012711.db2.gz ZRXQJXPBDMICKB-GOSISDBHSA-N 0 0 340.382 4.368 50 0 biogenic EIAARN CC(C)(C)[C@H](Cn1cccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000006386716 564013844 /nfs/dbraw/zinc/01/38/44/564013844.db2.gz YOUUKIQHCANRAF-QQABJKMWSA-N 0 0 343.515 4.021 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1 ZINC000016577707 564014310 /nfs/dbraw/zinc/01/43/10/564014310.db2.gz LJKVVTFYEYESMH-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN Cc1ccc(NC(=O)Cc2noc(-c3ccc(F)cc3)n2)cc1Cl ZINC000016578709 564014468 /nfs/dbraw/zinc/01/44/68/564014468.db2.gz BHUNNQGSYLZFJC-UHFFFAOYSA-N 0 0 345.761 4.019 50 0 EIAARN Cc1nnc(CC(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)o1 ZINC000178091827 564015281 /nfs/dbraw/zinc/01/52/81/564015281.db2.gz OMRJUWZTBAJYHK-SFHVURJKSA-N 0 0 347.846 4.012 50 0 EIAARN Cc1ncc(CNc2ccc(NC(=O)N3CCCCCC3)cc2)o1 ZINC000583650999 564018307 /nfs/dbraw/zinc/01/83/07/564018307.db2.gz DXJXEXGFQVHZAL-UHFFFAOYSA-N 0 0 328.416 4.003 50 0 EIAARN C[C@@H](OCCCNC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000018179309 564018561 /nfs/dbraw/zinc/01/85/61/564018561.db2.gz SDOBVWIAGNZMAA-CYBMUJFWSA-N 0 0 334.366 4.254 50 0 EIAARN CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000005682199 564018566 /nfs/dbraw/zinc/01/85/66/564018566.db2.gz RHZVYFJJRYCVMK-UZLBHIALSA-N 0 0 339.435 4.307 50 0 EIAARN Cc1cc(C)cc(Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)c1 ZINC000018202273 564018775 /nfs/dbraw/zinc/01/87/75/564018775.db2.gz GVDFDKDEHCKXDH-CQSZACIVSA-N 0 0 333.391 4.343 50 0 EIAARN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)c1cc2ccccc2o1 ZINC000018203878 564018798 /nfs/dbraw/zinc/01/87/98/564018798.db2.gz ZFPCOQBMZNSSCP-CQSZACIVSA-N 0 0 331.375 4.110 50 0 EIAARN COc1cc(C(=O)Nc2ncccc2C)cc(Cl)c1OC(C)C ZINC000018231251 564018912 /nfs/dbraw/zinc/01/89/12/564018912.db2.gz KVDLIMLAKFYUDM-UHFFFAOYSA-N 0 0 334.803 4.092 50 0 EIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)cs1 ZINC000018235550 564018920 /nfs/dbraw/zinc/01/89/20/564018920.db2.gz IJLFQWHICSOMDF-UHFFFAOYSA-N 0 0 338.407 4.461 50 0 EIAARN CCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cccc(F)c1 ZINC000101096652 564018986 /nfs/dbraw/zinc/01/89/86/564018986.db2.gz YNNZJKMACAATCS-UHFFFAOYSA-N 0 0 341.342 4.008 50 0 EIAARN C(c1ccccc1)=C1CCCC2C1=Nc1nnnn1[C@@H]2c1ccccc1 ZINC000101175974 564019235 /nfs/dbraw/zinc/01/92/35/564019235.db2.gz YFPVJSRYLLCUBY-NMIWIPSGSA-N 0 0 341.418 4.210 50 0 EIAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc(-n2cccc2)cc1 ZINC000005702776 564019503 /nfs/dbraw/zinc/01/95/03/564019503.db2.gz CRCSXXUMMWPOOO-UHFFFAOYSA-N 0 0 349.386 4.046 50 0 EIAARN O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(F)cc1 ZINC000005704872 564019619 /nfs/dbraw/zinc/01/96/19/564019619.db2.gz WGQGONNKRRHRQK-UHFFFAOYSA-N 0 0 334.325 4.331 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)s1 ZINC000102159480 564019862 /nfs/dbraw/zinc/01/98/62/564019862.db2.gz PBYPVETUPWMGKO-VHDGCEQUSA-N 0 0 338.469 4.217 50 0 EIAARN COc1ccc(C(=O)Nc2nc3ccc(SC)cc3s2)cc1 ZINC000005299095 564019867 /nfs/dbraw/zinc/01/98/67/564019867.db2.gz NMJDCOAWJLEPPA-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN Cc1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC000102167801 564019929 /nfs/dbraw/zinc/01/99/29/564019929.db2.gz JRMVFTGZEWUNJF-VDZJLULYSA-N 0 0 346.467 4.464 50 0 EIAARN CCc1cccc(NC(=O)COC(=O)Cc2cccc3ccccc32)c1 ZINC000005713710 564020938 /nfs/dbraw/zinc/02/09/38/564020938.db2.gz VLWSZSFFTHCIQT-UHFFFAOYSA-N 0 0 347.414 4.127 50 0 EIAARN CC(=O)Nc1ccccc1OCc1ccc(F)cc1Br ZINC000014136356 564021484 /nfs/dbraw/zinc/02/14/84/564021484.db2.gz VYBXXELIFRKMBP-UHFFFAOYSA-N 0 0 338.176 4.126 50 0 EIAARN Cc1ccccc1CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000000531083 564021635 /nfs/dbraw/zinc/02/16/35/564021635.db2.gz CJNNWFVQBPINAD-LBPRGKRZSA-N 0 0 349.456 4.256 50 0 EIAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1 ZINC000000531682 564021680 /nfs/dbraw/zinc/02/16/80/564021680.db2.gz XORDCRPUQVSDOW-OALUTQOASA-N 0 0 334.423 4.132 50 0 EIAARN COC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000014904053 564022142 /nfs/dbraw/zinc/02/21/42/564022142.db2.gz VBAOKHVYDOQJSK-DPDQFOFCSA-N 0 0 348.527 4.222 50 0 biogenic EIAARN CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)cc1)CO3 ZINC000000538756 564022363 /nfs/dbraw/zinc/02/23/63/564022363.db2.gz MRPVTDSSCUZVDY-UHFFFAOYSA-N 0 0 339.366 4.159 50 0 EIAARN Clc1ccc(-n2ncc3c2ncnc3NCc2cccs2)cc1 ZINC000000544486 564022636 /nfs/dbraw/zinc/02/26/36/564022636.db2.gz OGJOSCPNLKSUJQ-UHFFFAOYSA-N 0 0 341.827 4.143 50 0 EIAARN Cc1ccc(-c2noc([C@H](NC(=O)C3CCC3)C(C)C)n2)cc1Cl ZINC000096293590 564023739 /nfs/dbraw/zinc/02/37/39/564023739.db2.gz RBFRKKPQRYINFA-OAHLLOKOSA-N 0 0 347.846 4.312 50 0 EIAARN Cc1ccn2c(=O)cc(CSCc3ccc(Cl)cc3)nc2c1 ZINC000014754666 564023750 /nfs/dbraw/zinc/02/37/50/564023750.db2.gz QQDCOIKQGIODAT-UHFFFAOYSA-N 0 0 330.840 4.090 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000000249173 564023829 /nfs/dbraw/zinc/02/38/29/564023829.db2.gz MCKQUPAZZDMUBK-UHFFFAOYSA-N 0 0 335.407 4.088 50 0 EIAARN CCOc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 ZINC000000574009 564024003 /nfs/dbraw/zinc/02/40/03/564024003.db2.gz HTEACBRWSCGDSF-UHFFFAOYSA-N 0 0 344.461 4.426 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)n1 ZINC000104743703 564024032 /nfs/dbraw/zinc/02/40/32/564024032.db2.gz WGEIDCCMNAODRA-ACWOFJMJSA-N 0 0 325.456 4.044 50 0 EIAARN COc1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 ZINC000000577601 564024216 /nfs/dbraw/zinc/02/42/16/564024216.db2.gz GHGSAIPDAANVPK-UHFFFAOYSA-N 0 0 349.415 4.324 50 0 EIAARN CC[C@@H](Oc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000000579802 564024337 /nfs/dbraw/zinc/02/43/37/564024337.db2.gz XTSZFNRBCGRTQV-OAHLLOKOSA-N 0 0 340.379 4.284 50 0 EIAARN O=C(C[C@@H]1CCCc2ccccc21)N1CCC(O)(c2ccccc2)CC1 ZINC000185905040 564024747 /nfs/dbraw/zinc/02/47/47/564024747.db2.gz NMHXEBFBGKIEOG-IBGZPJMESA-N 0 0 349.474 4.007 50 0 EIAARN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 ZINC000024584763 564024763 /nfs/dbraw/zinc/02/47/63/564024763.db2.gz WTUMSBIGZZWXJT-ZDUSSCGKSA-N 0 0 343.477 4.347 50 0 EIAARN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCCCCC3)c12 ZINC000046760082 564024893 /nfs/dbraw/zinc/02/48/93/564024893.db2.gz GDQRTEGFEDBXGD-UHFFFAOYSA-N 0 0 327.428 4.069 50 0 EIAARN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000062880029 564024937 /nfs/dbraw/zinc/02/49/37/564024937.db2.gz OFXZDEDSIPHVPG-RDTXWAMCSA-N 0 0 343.448 4.082 50 0 EIAARN CC(=O)c1ccc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(F)c1 ZINC000105885174 564025334 /nfs/dbraw/zinc/02/53/34/564025334.db2.gz DJYUIIQDOQTOCU-MQIPJXDCSA-N 0 0 337.460 4.061 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@H]1c1ccccc1F ZINC000110567677 564025709 /nfs/dbraw/zinc/02/57/09/564025709.db2.gz ZDPFMJGASHZKJV-BBTUJRGHSA-N 0 0 346.405 4.230 50 0 EIAARN Cc1cc2n(n1)[C@@H](C(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000002785985 564026032 /nfs/dbraw/zinc/02/60/32/564026032.db2.gz NMPNSWXPMITRFR-VXGBXAGGSA-N 0 0 342.187 4.317 50 0 EIAARN Cc1ncc(CN(C)C(=O)NC2CCC(c3ccccc3)CC2)s1 ZINC000194437291 564026206 /nfs/dbraw/zinc/02/62/06/564026206.db2.gz IAKJDXDVVPIZMS-UHFFFAOYSA-N 0 0 343.496 4.319 50 0 EIAARN O=C(/C=C/c1ccccn1)Nc1nc2c(ccc3ccccc23)s1 ZINC000047517927 564026400 /nfs/dbraw/zinc/02/64/00/564026400.db2.gz YPHYMCAROHMZPA-PKNBQFBNSA-N 0 0 331.400 4.496 50 0 EIAARN C[C@H](Sc1nc2ccccc2s1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000106539083 564026441 /nfs/dbraw/zinc/02/64/41/564026441.db2.gz OVECKDAXVBMALR-UPJWGTAASA-N 0 0 334.510 4.281 50 0 EIAARN COc1ccccc1Oc1ncnc(-c2cccc(Cl)c2)c1N ZINC000106661452 564026566 /nfs/dbraw/zinc/02/65/66/564026566.db2.gz BZTCPDLOUOMEES-UHFFFAOYSA-N 0 0 327.771 4.180 50 0 EIAARN Cc1nc(Nc2ccc(NC(=O)CC(C)C)cc2)cc(OC(C)C)n1 ZINC000012225638 564026728 /nfs/dbraw/zinc/02/67/28/564026728.db2.gz COLPXNBOEHJBLF-UHFFFAOYSA-N 0 0 342.443 4.300 50 0 EIAARN Cc1nnc(-c2cccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)c2)o1 ZINC000107066305 564026793 /nfs/dbraw/zinc/02/67/93/564026793.db2.gz PNSDEEYSQQRVPW-MORSLUCNSA-N 0 0 339.439 4.086 50 0 EIAARN O=C(Cc1noc2ccccc12)O[C@@H](c1ccccc1)c1ccccn1 ZINC000044613292 564027063 /nfs/dbraw/zinc/02/70/63/564027063.db2.gz FTYAIFOCQQDGHH-NRFANRHFSA-N 0 0 344.370 4.098 50 0 EIAARN Cc1nn(-c2ccccn2)c2c1[C@H](c1cccs1)SCC(=O)N2 ZINC000044900706 564027601 /nfs/dbraw/zinc/02/76/01/564027601.db2.gz OKVGSUAHGUTBJK-HNNXBMFYSA-N 0 0 342.449 4.061 50 0 EIAARN Cc1nc2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2nc1C ZINC000045258726 564028322 /nfs/dbraw/zinc/02/83/22/564028322.db2.gz TXNUJOIAWATIBO-UHFFFAOYSA-N 0 0 337.448 4.113 50 0 EIAARN C[C@]1(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1(Cl)Cl ZINC000045621330 564028564 /nfs/dbraw/zinc/02/85/64/564028564.db2.gz UMSZDAMDNSEMDE-SNVBAGLBSA-N 0 0 328.026 4.098 50 0 EIAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1ccco1 ZINC000045901776 564028850 /nfs/dbraw/zinc/02/88/50/564028850.db2.gz WWVGMBMOUHZWRE-UHFFFAOYSA-N 0 0 331.375 4.193 50 0 EIAARN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 ZINC000045927488 564028951 /nfs/dbraw/zinc/02/89/51/564028951.db2.gz SOXFKDMZIAYACE-ZBFHGGJFSA-N 0 0 343.496 4.348 50 0 EIAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(F)cc1 ZINC000045967359 564029068 /nfs/dbraw/zinc/02/90/68/564029068.db2.gz BRVZYYUYJZZQSF-UHFFFAOYSA-N 0 0 339.370 4.037 50 0 EIAARN CCn1c(=O)oc2cc(NC(=O)Nc3cccc(Cl)c3C)ccc21 ZINC000046010101 564029101 /nfs/dbraw/zinc/02/91/01/564029101.db2.gz QWYODOCYJMINLR-UHFFFAOYSA-N 0 0 345.786 4.220 50 0 EIAARN CCCn1c2ccc(NC(=O)Nc3cc(C)ccc3C)cc2oc1=O ZINC000046010180 564029119 /nfs/dbraw/zinc/02/91/19/564029119.db2.gz FZNRYEZNBKFORZ-UHFFFAOYSA-N 0 0 339.395 4.265 50 0 EIAARN CCCc1cc(Nc2ccc(F)cc2)n2nc(-c3ccco3)nc2n1 ZINC000046017837 564029218 /nfs/dbraw/zinc/02/92/18/564029218.db2.gz WHYAFLGTZXUWBM-UHFFFAOYSA-N 0 0 337.358 4.220 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)c(OC)c1 ZINC000046018397 564029253 /nfs/dbraw/zinc/02/92/53/564029253.db2.gz VPGVEGBTKOBBJP-GOSISDBHSA-N 0 0 340.423 4.381 50 0 EIAARN CC(=O)N1c2ccccc2C[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000109468298 564029344 /nfs/dbraw/zinc/02/93/44/564029344.db2.gz QRSZGGNPEUZLMS-INIZCTEOSA-N 0 0 339.782 4.040 50 0 EIAARN CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000048064881 564029895 /nfs/dbraw/zinc/02/98/95/564029895.db2.gz LKQJHYYZPVEYSS-YKWSONSWSA-N 0 0 344.436 4.207 50 0 EIAARN O=C(Nc1cc(F)ccc1C(=O)N1CCCCCCC1)c1ccoc1 ZINC000048185439 564029998 /nfs/dbraw/zinc/02/99/98/564029998.db2.gz QAPVNPNCUWOCIP-UHFFFAOYSA-N 0 0 344.386 4.077 50 0 EIAARN Cc1ccsc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000048242072 564030179 /nfs/dbraw/zinc/03/01/79/564030179.db2.gz KGBRFJMYCXKJQR-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000048250116 564030374 /nfs/dbraw/zinc/03/03/74/564030374.db2.gz SXFQQOXKZMSONK-CHWSQXEVSA-N 0 0 348.443 4.362 50 0 EIAARN Cc1ccc(NC(=O)N[C@H](C)c2ccccn2)c(Br)c1 ZINC000048304245 564030729 /nfs/dbraw/zinc/03/07/29/564030729.db2.gz SCUJRTSSZBLQSU-LLVKDONJSA-N 0 0 334.217 4.035 50 0 EIAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)n1cccn1 ZINC000048355440 564031430 /nfs/dbraw/zinc/03/14/30/564031430.db2.gz CXCUEWCLUQAFLE-MRXNPFEDSA-N 0 0 346.217 4.418 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2ccccc2n1 ZINC000048365310 564031486 /nfs/dbraw/zinc/03/14/86/564031486.db2.gz RQJKSAXRRCLVRC-UHFFFAOYSA-N 0 0 343.386 4.461 50 0 EIAARN Cc1nn(-c2ccc(C(=O)NC(C3CC3)C3CC3)cc2)c(C)c1Cl ZINC000048364979 564031487 /nfs/dbraw/zinc/03/14/87/564031487.db2.gz WFARAFQYAXXZQK-UHFFFAOYSA-N 0 0 343.858 4.061 50 0 EIAARN C[C@H](SCc1ccc(F)cc1Br)C(=O)NC(C)(C)C ZINC000048406627 564031747 /nfs/dbraw/zinc/03/17/47/564031747.db2.gz JIWWDSCBEKQSSS-VIFPVBQESA-N 0 0 348.281 4.125 50 0 EIAARN CCCn1cc(-c2ccnc(N[C@@H]3CCc4ccccc43)n2)c(C)n1 ZINC000048488524 564031897 /nfs/dbraw/zinc/03/18/97/564031897.db2.gz IVBNDKUYYONSFM-GOSISDBHSA-N 0 0 333.439 4.158 50 0 EIAARN CCCCCOc1ccc([C@H](C)NC(=O)c2cccnc2)cc1OC ZINC000048521148 564031920 /nfs/dbraw/zinc/03/19/20/564031920.db2.gz SITVMXGGGQOOJX-HNNXBMFYSA-N 0 0 342.439 4.150 50 0 EIAARN O=C(Nc1nc(-c2ccco2)cs1)[C@@H](c1ccccc1)n1cccc1 ZINC000049030857 564032434 /nfs/dbraw/zinc/03/24/34/564032434.db2.gz BUIGZGXAYGBSHI-QGZVFWFLSA-N 0 0 349.415 4.433 50 0 EIAARN Cc1cc(=O)[nH]c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc12 ZINC000049031079 564032465 /nfs/dbraw/zinc/03/24/65/564032465.db2.gz DCKQIJMNJKDOKC-UHFFFAOYSA-N 0 0 346.308 4.108 50 0 EIAARN CCCOc1ccc(NC(=O)N2CCC[C@H](COC)C2)cc1Cl ZINC000113548510 564032803 /nfs/dbraw/zinc/03/28/03/564032803.db2.gz COZATOGTPGLCLH-ZDUSSCGKSA-N 0 0 340.851 4.019 50 0 EIAARN Cc1ccc([C@H]2CCCN2C(=O)Cc2sc(=S)[nH]c2C)s1 ZINC000114707807 564033019 /nfs/dbraw/zinc/03/30/19/564033019.db2.gz QILOOYIIPDQEJA-LLVKDONJSA-N 0 0 338.523 4.390 50 0 EIAARN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000081548862 564033334 /nfs/dbraw/zinc/03/33/34/564033334.db2.gz YDLSQDWRHIWYKT-DYVFJYSZSA-N 0 0 337.423 4.019 50 0 EIAARN CCCCn1c(-c2ccc(OC(F)F)c(OCC)c2)n[nH]c1=S ZINC000006890885 564033794 /nfs/dbraw/zinc/03/37/94/564033794.db2.gz LZRMNSQKMRFXJB-UHFFFAOYSA-N 0 0 343.399 4.408 50 0 EIAARN O=C(Nc1nnc(C(F)(F)F)s1)c1c(Cl)cccc1Cl ZINC000000789895 564034313 /nfs/dbraw/zinc/03/43/13/564034313.db2.gz UARLICAAVXOKAQ-UHFFFAOYSA-N 0 0 342.129 4.116 50 0 EIAARN Clc1ccc(COc2ccccc2-c2ccnc3ncnn32)cc1 ZINC000005771908 564034499 /nfs/dbraw/zinc/03/44/99/564034499.db2.gz FGUCJMRKVDKWBH-UHFFFAOYSA-N 0 0 336.782 4.024 50 0 EIAARN Cc1cc(=O)[nH]c2cc(NC(=O)CCCCCn3cccc3)ccc12 ZINC000604418888 564034862 /nfs/dbraw/zinc/03/48/62/564034862.db2.gz RNJAPTYOANSULL-UHFFFAOYSA-N 0 0 337.423 4.249 50 0 EIAARN COc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1O ZINC000000818078 564035011 /nfs/dbraw/zinc/03/50/11/564035011.db2.gz FOODDPCBOMIZIC-HXUWFJFHSA-N 0 0 335.407 4.162 50 0 EIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000390831612 564035045 /nfs/dbraw/zinc/03/50/45/564035045.db2.gz SWLMRPQYDFRTQO-GOSISDBHSA-N 0 0 344.524 4.404 50 0 EIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)c(F)c1 ZINC000008279393 564035110 /nfs/dbraw/zinc/03/51/10/564035110.db2.gz AUEKLLNGKZMPLZ-JTQLQIEISA-N 0 0 332.375 4.408 50 0 EIAARN CN(CCC1(O)CCCC1)C(=O)c1cccc(-c2cccc(F)c2)c1 ZINC000222299169 564036802 /nfs/dbraw/zinc/03/68/02/564036802.db2.gz HCEKQSVZVJWIKO-UHFFFAOYSA-N 0 0 341.426 4.260 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)Nc1nc2c(s1)CCC2 ZINC000025768014 564038817 /nfs/dbraw/zinc/03/88/17/564038817.db2.gz BFKZHMBZUCYPQX-UHFFFAOYSA-N 0 0 325.437 4.075 50 0 EIAARN CCCC[C@H](NC(=O)Cc1ccc(SC)cc1)c1cccnc1 ZINC000223076642 564038888 /nfs/dbraw/zinc/03/88/88/564038888.db2.gz SDYWEJYYVULOLX-SFHVURJKSA-N 0 0 328.481 4.394 50 0 EIAARN CC(C)[C@@H](NC(=O)c1ccc2c(ccn2C)c1)c1nc2ccccc2[nH]1 ZINC000223216212 564039239 /nfs/dbraw/zinc/03/92/39/564039239.db2.gz AKNFYZMWEYHPNB-LJQANCHMSA-N 0 0 346.434 4.182 50 0 EIAARN Fc1ccc(CN2CCO[C@@H](c3ccco3)C2)c(Cl)c1Cl ZINC000225465535 564047029 /nfs/dbraw/zinc/04/70/29/564047029.db2.gz SISLUSNWKFJSSM-CYBMUJFWSA-N 0 0 330.186 4.299 50 0 EIAARN Fc1cccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 ZINC000225563576 564047846 /nfs/dbraw/zinc/04/78/46/564047846.db2.gz UUDMIWGNGBAJMN-OAHLLOKOSA-N 0 0 326.400 4.081 50 0 EIAARN Cc1ccc(-c2nnc(N(Cc3ccccc3F)C3CC3)n2C)s1 ZINC000225688546 564049391 /nfs/dbraw/zinc/04/93/91/564049391.db2.gz SBVWUCJWDNUKPQ-UHFFFAOYSA-N 0 0 342.443 4.160 50 0 EIAARN Cc1cc([C@@H](C)NC(=O)N(C)C[C@H](C)c2nccs2)c(C)s1 ZINC000182169378 564051227 /nfs/dbraw/zinc/05/12/27/564051227.db2.gz FLQDGWXUZZOPKL-CMPLNLGQSA-N 0 0 337.514 4.328 50 0 EIAARN CC[C@H](OC(=O)c1ccc(Br)o1)c1ccnc(Cl)c1 ZINC000240225425 564051699 /nfs/dbraw/zinc/05/16/99/564051699.db2.gz DHSFWSUGGADFDQ-VIFPVBQESA-N 0 0 344.592 4.399 50 0 EIAARN CC(=O)c1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cs1 ZINC000240825142 564051816 /nfs/dbraw/zinc/05/18/16/564051816.db2.gz QNILCJGHDJCRGZ-UHFFFAOYSA-N 0 0 349.883 4.088 50 0 EIAARN Cc1cc(C)c2c(N)c(-c3nc(-c4ccsc4)no3)sc2n1 ZINC000240900745 564051820 /nfs/dbraw/zinc/05/18/20/564051820.db2.gz ITOCGPSUNRHGGV-UHFFFAOYSA-N 0 0 328.422 4.274 50 0 EIAARN CSc1cccc(F)c1C(=O)N[C@H](C)c1nc(C2CCCC2)no1 ZINC000241409042 564052001 /nfs/dbraw/zinc/05/20/01/564052001.db2.gz NEAYVXZKUFPWKP-SNVBAGLBSA-N 0 0 349.431 4.079 50 0 EIAARN COCc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2F)cc1 ZINC000241439945 564052005 /nfs/dbraw/zinc/05/20/05/564052005.db2.gz NNQSZRPBNYLVEW-UHFFFAOYSA-N 0 0 332.375 4.403 50 0 EIAARN O=C(N[C@@H]1COC2(C1)CCCCC2)c1c(Cl)cccc1Cl ZINC000244900101 564052306 /nfs/dbraw/zinc/05/23/06/564052306.db2.gz ZWCAHFSPOIAZTM-NSHDSACASA-N 0 0 328.239 4.215 50 0 EIAARN COc1ccc2[nH]c(SCCOc3ccccc3Cl)nc2c1 ZINC000015042591 564053123 /nfs/dbraw/zinc/05/31/23/564053123.db2.gz FIVXXCJBDPVCJR-UHFFFAOYSA-N 0 0 334.828 4.396 50 0 EIAARN CC1=N/C(=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)O1 ZINC000211043795 564053698 /nfs/dbraw/zinc/05/36/98/564053698.db2.gz PYWUKXGHWSPXJU-DJKKODMXSA-N 0 0 332.359 4.063 50 0 EIAARN CC(C)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000001004757 564054033 /nfs/dbraw/zinc/05/40/33/564054033.db2.gz PZKRHDFROJTOHK-ZVQQDINOSA-N 0 0 346.474 4.447 50 0 EIAARN O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000001013066 564054085 /nfs/dbraw/zinc/05/40/85/564054085.db2.gz GBKQDFGJZRECHB-YVLHZVERSA-N 0 0 334.400 4.404 50 0 EIAARN O=C(c1conc1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005894525 564056822 /nfs/dbraw/zinc/05/68/22/564056822.db2.gz OUPBHLVXISGYCB-UHFFFAOYSA-N 0 0 346.169 4.443 50 0 EIAARN O=C(NC1CCCCC1)c1sccc1NC(=O)c1ccc(F)cc1 ZINC000005894446 564056823 /nfs/dbraw/zinc/05/68/23/564056823.db2.gz JDIGPHCBSICQLW-UHFFFAOYSA-N 0 0 346.427 4.202 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1 ZINC000005938476 564057125 /nfs/dbraw/zinc/05/71/25/564057125.db2.gz DCZNGUMIZLEFRY-UHFFFAOYSA-N 0 0 326.827 4.113 50 0 EIAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccnc1 ZINC000005948939 564057242 /nfs/dbraw/zinc/05/72/42/564057242.db2.gz BQAWSNYPRJSWIF-UHFFFAOYSA-N 0 0 342.354 4.107 50 0 biogenic EIAARN CCCOc1ccc(/C=C/C(=O)NCc2ccc(C)cc2)cc1OC ZINC000005978825 564057420 /nfs/dbraw/zinc/05/74/20/564057420.db2.gz PMZKRWSFIYLTDP-ZRDIBKRKSA-N 0 0 339.435 4.122 50 0 EIAARN c1nnc(-c2ccc(OCc3csc(Cc4ccccc4)n3)cc2)o1 ZINC000031650787 564057883 /nfs/dbraw/zinc/05/78/83/564057883.db2.gz CLJCFCMFOOTHPT-UHFFFAOYSA-N 0 0 349.415 4.363 50 0 EIAARN Cc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)nc1 ZINC000012528556 564058160 /nfs/dbraw/zinc/05/81/60/564058160.db2.gz GBVKHFFDFWIJMK-UHFFFAOYSA-N 0 0 343.839 4.348 50 0 EIAARN CC[C@@H](C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000012529433 564058239 /nfs/dbraw/zinc/05/82/39/564058239.db2.gz LXCXATQYEXTQQA-CQSZACIVSA-N 0 0 339.464 4.032 50 0 EIAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000012539631 564058531 /nfs/dbraw/zinc/05/85/31/564058531.db2.gz CIIVHRJYVVCPRD-AKERNLMBSA-N 0 0 345.446 4.433 50 0 EIAARN CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1nc2ccccc2[nH]1 ZINC000012539957 564058580 /nfs/dbraw/zinc/05/85/80/564058580.db2.gz UCIWAXVXOLXFOW-MRXNPFEDSA-N 0 0 344.365 4.360 50 0 EIAARN O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 ZINC000012541493 564058699 /nfs/dbraw/zinc/05/86/99/564058699.db2.gz OCMHSUOAVFSELN-OAHLLOKOSA-N 0 0 341.411 4.050 50 0 EIAARN O=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccccc1 ZINC000003264432 564058795 /nfs/dbraw/zinc/05/87/95/564058795.db2.gz PKLFZHJWUTZZRT-UHFFFAOYSA-N 0 0 336.412 4.358 50 0 EIAARN c1cc2c(s1)CCN(Cc1nc(C3CC3)no1)[C@@H]2c1ccccc1 ZINC000012552829 564059234 /nfs/dbraw/zinc/05/92/34/564059234.db2.gz UBZLSQGKXUPKTC-GOSISDBHSA-N 0 0 337.448 4.156 50 0 EIAARN CCCc1ccc(C(=O)[C@H](C)Sc2nnc3ccccn32)cc1 ZINC000003361790 564059528 /nfs/dbraw/zinc/05/95/28/564059528.db2.gz NCDYKQFBVRWDPG-ZDUSSCGKSA-N 0 0 325.437 4.045 50 0 EIAARN CCc1ccc(N[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000012561449 564059580 /nfs/dbraw/zinc/05/95/80/564059580.db2.gz YAVOQSJAHXWYJA-NSHDSACASA-N 0 0 327.453 4.337 50 0 EIAARN Brc1cccc(OCCSc2nc3ccccc3[nH]2)c1 ZINC000012563567 564059658 /nfs/dbraw/zinc/05/96/58/564059658.db2.gz VPUUBMOZYCHKBX-UHFFFAOYSA-N 0 0 349.253 4.497 50 0 EIAARN Cc1ccc(Oc2ccc(N(C)C(=O)/C=C/c3ccccc3)cc2)nn1 ZINC000044213771 564059734 /nfs/dbraw/zinc/05/97/34/564059734.db2.gz KGVXDTHZUDMDAR-OQLLNIDSSA-N 0 0 345.402 4.254 50 0 EIAARN O=S(=O)(c1cccc2ccccc21)N1CC[C@H](c2ccccc2)C1 ZINC000044225415 564059776 /nfs/dbraw/zinc/05/97/76/564059776.db2.gz UPTJVNRIPJSAMS-SFHVURJKSA-N 0 0 337.444 4.018 50 0 EIAARN CCN(c1ccc(NC(=O)c2cccnc2SC)cc1)C(C)C ZINC000012590406 564060222 /nfs/dbraw/zinc/06/02/22/564060222.db2.gz SCOMPYDMNUFLMX-UHFFFAOYSA-N 0 0 329.469 4.291 50 0 EIAARN CC(C)(C)c1ccc(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)cc1 ZINC000012592238 564060230 /nfs/dbraw/zinc/06/02/30/564060230.db2.gz ZPEHESCSIAXVGM-IBGZPJMESA-N 0 0 342.464 4.013 50 0 EIAARN COc1ccccc1-c1noc(CN2CCCc3cc(C)ccc32)n1 ZINC000012592144 564060236 /nfs/dbraw/zinc/06/02/36/564060236.db2.gz XBWNVIHVICQRDB-UHFFFAOYSA-N 0 0 335.407 4.006 50 0 EIAARN Cc1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000015293526 564060531 /nfs/dbraw/zinc/06/05/31/564060531.db2.gz XCWOLYKMGDQWJC-UHFFFAOYSA-N 0 0 342.292 4.083 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3cc(F)cc(F)c3)cc2)cs1 ZINC000012613783 564060600 /nfs/dbraw/zinc/06/06/00/564060600.db2.gz SZSAGIPMRXDMPN-UHFFFAOYSA-N 0 0 344.386 4.327 50 0 EIAARN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1[nH]nc2ccccc21 ZINC000012620700 564060911 /nfs/dbraw/zinc/06/09/11/564060911.db2.gz RZXKNHJYKKOFAC-ZDUSSCGKSA-N 0 0 343.839 4.183 50 0 EIAARN Cc1csc(NC(=O)c2c(C)oc3c2c(F)c(F)c(F)c3F)n1 ZINC000012622390 564061006 /nfs/dbraw/zinc/06/10/06/564061006.db2.gz USOGUPIFHNBLPH-UHFFFAOYSA-N 0 0 344.289 4.315 50 0 EIAARN O=C(Nc1ccccc1Br)c1ccc2ncsc2c1 ZINC000015350020 564061016 /nfs/dbraw/zinc/06/10/16/564061016.db2.gz LUBMPMQJCNYUDX-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN Cc1cc(-c2ccc(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)cc2)c(=O)[nH]c1C ZINC000534584231 564061115 /nfs/dbraw/zinc/06/11/15/564061115.db2.gz KSRDATDIXFIHEB-KDURUIRLSA-N 0 0 348.446 4.109 50 0 EIAARN CC(C)c1ccc([C@@H](CCO)NC(=O)N(C)Cc2ccsc2)cc1 ZINC000534660288 564061491 /nfs/dbraw/zinc/06/14/91/564061491.db2.gz WMQMCCNXNJZVRL-GOSISDBHSA-N 0 0 346.496 4.137 50 0 EIAARN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C(C)C)C2CCOCC2)cc1 ZINC000078182762 564061870 /nfs/dbraw/zinc/06/18/70/564061870.db2.gz YNVVKLXVRRYOMU-VQTJNVASSA-N 0 0 329.484 4.330 50 0 EIAARN Cc1cc(CSc2ncccc2C(=O)NC2CCCCCC2)no1 ZINC000012687661 564062623 /nfs/dbraw/zinc/06/26/23/564062623.db2.gz RMCHNIMEEQMFOP-UHFFFAOYSA-N 0 0 345.468 4.123 50 0 EIAARN Cc1ccccc1-c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000012685678 564062660 /nfs/dbraw/zinc/06/26/60/564062660.db2.gz FIYCQUFZDFNDBY-UHFFFAOYSA-N 0 0 329.446 4.189 50 0 EIAARN Cc1ccccc1-c1nc(-c2ccc(Br)cc2)cc(=O)o1 ZINC000001260383 564062749 /nfs/dbraw/zinc/06/27/49/564062749.db2.gz XKOAMXFGSATERH-UHFFFAOYSA-N 0 0 342.192 4.440 50 0 EIAARN Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1 ZINC000001255902 564062764 /nfs/dbraw/zinc/06/27/64/564062764.db2.gz XDFHCKLJHHXIKP-UHFFFAOYSA-N 0 0 348.446 4.196 50 0 EIAARN Cc1ccc([C@@H]2Cn3nc(C(=O)Nc4ccccc4C)cc3CO2)cc1 ZINC000263619238 564063001 /nfs/dbraw/zinc/06/30/01/564063001.db2.gz XPTMUMXXINXWOA-FQEVSTJZSA-N 0 0 347.418 4.024 50 0 EIAARN O=C(Nc1ccccc1Cl)N[C@@H](c1cccnc1)C1CCOCC1 ZINC000225623373 564063028 /nfs/dbraw/zinc/06/30/28/564063028.db2.gz PAIZDVHLLZCXCP-QGZVFWFLSA-N 0 0 345.830 4.024 50 0 EIAARN CC(C)CC(=O)Nc1nnc(CSCc2ccc(F)cc2)s1 ZINC000001297694 564063052 /nfs/dbraw/zinc/06/30/52/564063052.db2.gz XHSWSFHANDPXHW-UHFFFAOYSA-N 0 0 339.461 4.095 50 0 EIAARN COC(=O)[C@H](OC(=O)c1ccsc1)c1cc(Cl)cc(Cl)c1 ZINC000083884313 564064222 /nfs/dbraw/zinc/06/42/22/564064222.db2.gz JSJUPINWUCLZAK-GFCCVEGCSA-N 0 0 345.203 4.126 50 0 EIAARN C[C@@H](OC(=O)C=C1CCCCC1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000083888731 564064305 /nfs/dbraw/zinc/06/43/05/564064305.db2.gz XNCGDRCCWPSQQK-ZBFHGGJFSA-N 0 0 347.480 4.234 50 0 EIAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000001388509 564064307 /nfs/dbraw/zinc/06/43/07/564064307.db2.gz AKNHQYQOHSFFOD-MRXNPFEDSA-N 0 0 327.815 4.343 50 0 EIAARN COc1cnc(SC)nc1Sc1cccc(C(F)(F)F)c1 ZINC000001391927 564064538 /nfs/dbraw/zinc/06/45/38/564064538.db2.gz YDQDEGDEQWZFTJ-UHFFFAOYSA-N 0 0 332.372 4.377 50 0 EIAARN Cc1cc(C)cc(OC(F)(F)C(=O)Nc2ccc(F)cc2F)c1 ZINC000001393234 564064643 /nfs/dbraw/zinc/06/46/43/564064643.db2.gz DJEPWSSUZSUAFV-UHFFFAOYSA-N 0 0 327.277 4.192 50 0 EIAARN CCc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)C(=O)OC)cc1 ZINC000001397602 564064775 /nfs/dbraw/zinc/06/47/75/564064775.db2.gz CWFFAHAOEXAHJR-KRWDZBQOSA-N 0 0 330.811 4.432 50 0 EIAARN O=S1(=O)CC[C@@H](Sc2ccccc2Cl)c2ccsc21 ZINC000001398521 564064819 /nfs/dbraw/zinc/06/48/19/564064819.db2.gz ISXORIDTQWHGJD-LLVKDONJSA-N 0 0 330.883 4.412 50 0 EIAARN O=C(NCc1ccncc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012738800 564064948 /nfs/dbraw/zinc/06/49/48/564064948.db2.gz DWSMYDPBTJYKKP-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN CCC(CC)n1nc(C(=O)N2Cc3ccccc3C3(CC3)C2)cc1C ZINC000184684671 564065493 /nfs/dbraw/zinc/06/54/93/564065493.db2.gz FZOXVGIJVRDULO-UHFFFAOYSA-N 0 0 337.467 4.240 50 0 EIAARN Cc1nc2cc(NC(=O)c3ccc(Br)cc3)ccc2o1 ZINC000012744524 564065574 /nfs/dbraw/zinc/06/55/74/564065574.db2.gz PDFAFNHEAFHPNC-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN CNc1snc(C)c1C(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC000084026837 564065852 /nfs/dbraw/zinc/06/58/52/564065852.db2.gz YFOAXUIQKJFDKH-UHFFFAOYSA-N 0 0 344.465 4.177 50 0 EIAARN COc1ccc(CNC(=O)Nc2nc3c(ccc(F)c3C)s2)cc1 ZINC000084040893 564065857 /nfs/dbraw/zinc/06/58/57/564065857.db2.gz WAQOQBIMXCQLJE-UHFFFAOYSA-N 0 0 345.399 4.074 50 0 EIAARN CCc1noc(CSc2nc(-c3ccco3)nc3ccccc32)n1 ZINC000012748143 564065984 /nfs/dbraw/zinc/06/59/84/564065984.db2.gz SPSKVDVNZFUKKV-UHFFFAOYSA-N 0 0 338.392 4.128 50 0 EIAARN Cc1nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc2o1 ZINC000012747935 564065987 /nfs/dbraw/zinc/06/59/87/564065987.db2.gz RGDQLSAHMJMVAO-UHFFFAOYSA-N 0 0 338.407 4.451 50 0 EIAARN Cn1nc(-c2ccccc2)c2cc3c(F)c(F)c(F)c(F)c3nc21 ZINC000001418681 564066044 /nfs/dbraw/zinc/06/60/44/564066044.db2.gz OGOGFSINDUDMPX-UHFFFAOYSA-N 0 0 331.272 4.345 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2nnn(-c3ccccc3)c2C2CC2)c1 ZINC000016649929 564066077 /nfs/dbraw/zinc/06/60/77/564066077.db2.gz VGARLWVWHMFAJT-UHFFFAOYSA-N 0 0 332.407 4.014 50 0 EIAARN CSCc1ccccc1NC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000184787385 564066310 /nfs/dbraw/zinc/06/63/10/564066310.db2.gz FEJOSXHSLNBNCL-UHFFFAOYSA-N 0 0 329.425 4.152 50 0 EIAARN Cc1nnc([C@H]2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1 ZINC000084090059 564066428 /nfs/dbraw/zinc/06/64/28/564066428.db2.gz HJCKINGZGJFRBY-GOSISDBHSA-N 0 0 329.444 4.026 50 0 EIAARN Cc1cc(CSc2ccccc2C(=O)N2C[C@@H]3CCC[C@H]3C2)on1 ZINC000084124436 564066812 /nfs/dbraw/zinc/06/68/12/564066812.db2.gz MEVXLCZQMHSCCB-GJZGRUSLSA-N 0 0 342.464 4.147 50 0 EIAARN Cc1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c(C)c1O ZINC000084147840 564066979 /nfs/dbraw/zinc/06/69/79/564066979.db2.gz RSYZSMNFLXKBJZ-UHFFFAOYSA-N 0 0 328.799 4.325 50 0 EIAARN CC(=O)N[C@@H](CC(=O)NCC1CCCCCCC1)c1ccc(C)cc1 ZINC000084148679 564067014 /nfs/dbraw/zinc/06/70/14/564067014.db2.gz ARNMIXCEPWDECS-FQEVSTJZSA-N 0 0 344.499 4.039 50 0 EIAARN Cc1ccc(Oc2ccc(Oc3ncnc4c3cnn4C)cc2)cc1 ZINC000012753837 564067164 /nfs/dbraw/zinc/06/71/64/564067164.db2.gz DKNGIZBOVOOSIX-UHFFFAOYSA-N 0 0 332.363 4.256 50 0 EIAARN Cc1ccc([S@@](=O)Cc2noc(-c3ccc(Cl)cc3)n2)cc1C ZINC000084180906 564067172 /nfs/dbraw/zinc/06/71/72/564067172.db2.gz RIICPXYYCDDLGU-HSZRJFAPSA-N 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NUEDHPQHFRQTPB-UHFFFAOYSA-N 0 0 325.418 4.401 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012767080 564068099 /nfs/dbraw/zinc/06/80/99/564068099.db2.gz BVAQRLZUHCALBW-GJZGRUSLSA-N 0 0 343.496 4.182 50 0 EIAARN CCN(Cc1ccccn1)C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 ZINC000084442149 564068168 /nfs/dbraw/zinc/06/81/68/564068168.db2.gz XSPHNDSEMOWZFU-GOSISDBHSA-N 0 0 345.393 4.043 50 0 EIAARN CC[C@H](NC(=O)c1ccccc1OC)c1ccc(Br)cc1 ZINC000012767504 564068240 /nfs/dbraw/zinc/06/82/40/564068240.db2.gz OXXFXIMUEZHSMI-HNNXBMFYSA-N 0 0 348.240 4.339 50 0 EIAARN CSc1ccccc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012768836 564068420 /nfs/dbraw/zinc/06/84/20/564068420.db2.gz ZZJDLMBKELLMPU-CQSZACIVSA-N 0 0 337.448 4.085 50 0 EIAARN COc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000012769172 564068533 /nfs/dbraw/zinc/06/85/33/564068533.db2.gz ASUALTOORFMYAL-NWDGAFQWSA-N 0 0 335.753 4.200 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccccc3Cl)cnc21 ZINC000012769802 564068619 /nfs/dbraw/zinc/06/86/19/564068619.db2.gz VGBCGELZQQQURP-GFCCVEGCSA-N 0 0 342.830 4.157 50 0 EIAARN c1ccc(-n2c3c(nc2SC[C@@H]2CCCCO2)CCCC3)cc1 ZINC000084572810 564068763 /nfs/dbraw/zinc/06/87/63/564068763.db2.gz YEQWYBVMKDGOCB-INIZCTEOSA-N 0 0 328.481 4.412 50 0 EIAARN O=C(c1c2c(nc3ccccc31)CCC2)N1CCC[C@H](C(F)(F)F)C1 ZINC000084587818 564068807 /nfs/dbraw/zinc/06/88/07/564068807.db2.gz ZIZZLDDHBNAVJP-LBPRGKRZSA-N 0 0 348.368 4.138 50 0 EIAARN O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc2ccccc2n1 ZINC000084595090 564068916 /nfs/dbraw/zinc/06/89/16/564068916.db2.gz KHJOBADREIZFBC-QGZVFWFLSA-N 0 0 336.366 4.018 50 0 EIAARN CC(C)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)nn1C(C)(C)C ZINC000084622459 564069167 /nfs/dbraw/zinc/06/91/67/564069167.db2.gz AUPBDFFVJRMZMO-UHFFFAOYSA-N 0 0 343.515 4.460 50 0 EIAARN C[C@@H](CNC(=O)Nc1cccc(F)c1)c1nc2ccccc2s1 ZINC000084638436 564069287 /nfs/dbraw/zinc/06/92/87/564069287.db2.gz RVNXNFDRJHHBRC-NSHDSACASA-N 0 0 329.400 4.361 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1=O)c1cc(Cl)ccc1Cl ZINC000015614645 564069388 /nfs/dbraw/zinc/06/93/88/564069388.db2.gz HHNWBMDKIBGVOW-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)no1 ZINC000012778344 564069728 /nfs/dbraw/zinc/06/97/28/564069728.db2.gz ICVITFNTGHWEIS-UHFFFAOYSA-N 0 0 328.290 4.043 50 0 EIAARN COc1ccc(OC)c([C@H]2CCCN2Cc2cc(F)ccc2OC)c1 ZINC000012782659 564070096 /nfs/dbraw/zinc/07/00/96/564070096.db2.gz VTQYISBAOUAIKY-GOSISDBHSA-N 0 0 345.414 4.189 50 0 EIAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 ZINC000012783480 564070188 /nfs/dbraw/zinc/07/01/88/564070188.db2.gz GFAFFJANDKNARX-BETUJISGSA-N 0 0 347.459 4.012 50 0 EIAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCCC2)cc1 ZINC000012789913 564070489 /nfs/dbraw/zinc/07/04/89/564070489.db2.gz AEKZVCAUESIMLG-UHFFFAOYSA-N 0 0 336.435 4.054 50 0 EIAARN COc1ccc(OC)c(-c2noc(Nc3ccc(F)c(Cl)c3)n2)c1 ZINC000015680422 564070711 /nfs/dbraw/zinc/07/07/11/564070711.db2.gz SLNPRMDIFGQCJL-UHFFFAOYSA-N 0 0 349.749 4.290 50 0 EIAARN O=c1[n-]c2c(c3ccccc13)[C@@H](c1ccccc1)N1C=CC=CC1=[NH+]2 ZINC000012810156 564072527 /nfs/dbraw/zinc/07/25/27/564072527.db2.gz JWLOGJIOBBIUPE-LJQANCHMSA-N 0 0 325.371 4.047 50 0 EIAARN Cc1ccc(N(C)C(=O)c2noc3c2CCc2sccc2-3)cc1C ZINC000015733205 564072737 /nfs/dbraw/zinc/07/27/37/564072737.db2.gz PUJNPFXFAWQILH-UHFFFAOYSA-N 0 0 338.432 4.395 50 0 EIAARN Cc1cc(C)c2nc(S[C@@H](C)C(=O)N3CCCC3)cc(C)c2c1 ZINC000011907459 564072936 /nfs/dbraw/zinc/07/29/36/564072936.db2.gz QQDLAGGDRSXUFJ-HNNXBMFYSA-N 0 0 328.481 4.263 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)cc1 ZINC000011907490 564072952 /nfs/dbraw/zinc/07/29/52/564072952.db2.gz JZDLBAWJYSZRCV-ZDUSSCGKSA-N 0 0 338.432 4.363 50 0 EIAARN Cc1cc(S[C@H](C)C(=O)Nc2cccc(O)c2)nc2ccccc12 ZINC000011907448 564072961 /nfs/dbraw/zinc/07/29/61/564072961.db2.gz IYIDETBFUCKOBN-CYBMUJFWSA-N 0 0 338.432 4.368 50 0 EIAARN Cc1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)c(C)o1 ZINC000012818446 564073238 /nfs/dbraw/zinc/07/32/38/564073238.db2.gz HBLVOKIALZXRTI-UHFFFAOYSA-N 0 0 331.265 4.229 50 0 EIAARN COc1ccccc1NC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012819125 564073249 /nfs/dbraw/zinc/07/32/49/564073249.db2.gz JDPKYBWNIGJWND-ZDUSSCGKSA-N 0 0 332.400 4.193 50 0 EIAARN COc1ccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000006061805 564073304 /nfs/dbraw/zinc/07/33/04/564073304.db2.gz AJRSJZHAZOLRQA-OAHLLOKOSA-N 0 0 335.403 4.105 50 0 EIAARN CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@H]3[C@H]2C ZINC000012660501 564073375 /nfs/dbraw/zinc/07/33/75/564073375.db2.gz OPDBPJWZYLLHKS-IQEWSEQYSA-N 0 0 344.451 4.141 50 0 biogenic EIAARN c1ccc(COc2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 ZINC000006077179 564073521 /nfs/dbraw/zinc/07/35/21/564073521.db2.gz OCLBLUIJOMDAGH-UHFFFAOYSA-N 0 0 344.374 4.034 50 0 EIAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)[C@@H]1CC=CCC1 ZINC000085474156 564073596 /nfs/dbraw/zinc/07/35/96/564073596.db2.gz MIZUQPFEUUPAHS-GFCCVEGCSA-N 0 0 331.462 4.013 50 0 EIAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)[C@H]1CC=CCC1 ZINC000085474155 564073599 /nfs/dbraw/zinc/07/35/99/564073599.db2.gz MIZUQPFEUUPAHS-LBPRGKRZSA-N 0 0 331.462 4.013 50 0 EIAARN O=C(Nc1ccccc1F)N1CCC(CSc2ccccn2)CC1 ZINC000085557667 564073940 /nfs/dbraw/zinc/07/39/40/564073940.db2.gz XFQKJBWFFGALON-UHFFFAOYSA-N 0 0 345.443 4.257 50 0 EIAARN O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)Nc1ccccc1F ZINC000085556866 564073964 /nfs/dbraw/zinc/07/39/64/564073964.db2.gz PUPMVDOVJJVFGD-UHFFFAOYSA-N 0 0 336.370 4.279 50 0 EIAARN Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nncc3ccccc32)c1 ZINC000012822954 564074699 /nfs/dbraw/zinc/07/46/99/564074699.db2.gz PJSVXLSVPXINHH-AWEZNQCLSA-N 0 0 337.448 4.366 50 0 EIAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)nc1n2CCCC1 ZINC000015786833 564074904 /nfs/dbraw/zinc/07/49/04/564074904.db2.gz KXLJOXYTEBUJJN-UHFFFAOYSA-N 0 0 325.456 4.215 50 0 EIAARN O=Cc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc12 ZINC000000465955 564074962 /nfs/dbraw/zinc/07/49/62/564074962.db2.gz LUUBSIRHLTWNGQ-UHFFFAOYSA-N 0 0 346.308 4.111 50 0 EIAARN CCc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1 ZINC000006124619 564075187 /nfs/dbraw/zinc/07/51/87/564075187.db2.gz PBYACHRBKLNCSQ-UHFFFAOYSA-N 0 0 338.432 4.390 50 0 EIAARN COc1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c(OC)cc1Cl ZINC000012849110 564075263 /nfs/dbraw/zinc/07/52/63/564075263.db2.gz KHIBQNAHBDOQFK-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN Cc1cc(-c2ccccc2)nc(SCc2nc(C(C)(C)C)no2)n1 ZINC000012855691 564075500 /nfs/dbraw/zinc/07/55/00/564075500.db2.gz NMHIXHWTPASVDC-UHFFFAOYSA-N 0 0 340.452 4.425 50 0 EIAARN CC(C)[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1ccncc1 ZINC000086398552 564075620 /nfs/dbraw/zinc/07/56/20/564075620.db2.gz BDQOMXVHPGSWAL-RDTXWAMCSA-N 0 0 327.428 4.307 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(C=O)c1Cc1cc(Cl)ccc1Cl ZINC000012863163 564075807 /nfs/dbraw/zinc/07/58/07/564075807.db2.gz DEHQYOITIMIUMO-UHFFFAOYSA-N 0 0 340.206 4.210 50 0 EIAARN CCCCOc1ccc(OC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000002173752 564076088 /nfs/dbraw/zinc/07/60/88/564076088.db2.gz YPQCVABSXCDQLB-UHFFFAOYSA-N 0 0 345.395 4.494 50 0 EIAARN COc1ccc(C[C@]2(O)C(=O)CCCC=C3CC[C@H]2C3(C)C)cc1 ZINC000034557735 564076143 /nfs/dbraw/zinc/07/61/43/564076143.db2.gz JNMPOENVTSSKQS-IWCNAMSWSA-N 0 0 328.452 4.084 50 0 EIAARN CC(C)(C)OC(=O)N1CCC(Sc2ncnc3ccccc32)CC1 ZINC000038986195 564076179 /nfs/dbraw/zinc/07/61/79/564076179.db2.gz PGYUPUNGKIUPSZ-UHFFFAOYSA-N 0 0 345.468 4.121 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CCC21OCCO1 ZINC000253596589 564076554 /nfs/dbraw/zinc/07/65/54/564076554.db2.gz SXXRMGBMPQWUTB-FZWBFHRNSA-N 0 0 332.484 4.053 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC21OCCO1 ZINC000253596591 564076558 /nfs/dbraw/zinc/07/65/58/564076558.db2.gz SXXRMGBMPQWUTB-YDETXVTLSA-N 0 0 332.484 4.053 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)c(C)c1 ZINC000012874363 564076610 /nfs/dbraw/zinc/07/66/10/564076610.db2.gz RSDAPDMHECTPFE-FQEVSTJZSA-N 0 0 334.419 4.206 50 0 EIAARN Nc1nc(Cl)cc(N2CC=C(c3cccc4ccccc43)CC2)n1 ZINC000063738760 564076698 /nfs/dbraw/zinc/07/66/98/564076698.db2.gz WHLWYRSDYQTWPM-UHFFFAOYSA-N 0 0 336.826 4.159 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000006153929 564076819 /nfs/dbraw/zinc/07/68/19/564076819.db2.gz ITWLDKACPITCAC-UHFFFAOYSA-N 0 0 349.221 4.400 50 0 EIAARN CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2CC ZINC000026121067 564077309 /nfs/dbraw/zinc/07/73/09/564077309.db2.gz LISVGQXXUFTMGO-UHFFFAOYSA-N 0 0 342.487 4.171 50 0 EIAARN Cc1nc2cc(NC(=O)c3cc(Br)ccc3F)ccc2o1 ZINC000012882457 564077430 /nfs/dbraw/zinc/07/74/30/564077430.db2.gz OHDBNDGSEVSKMN-UHFFFAOYSA-N 0 0 349.159 4.290 50 0 EIAARN COc1ccc([C@H](C)NC(=O)CCC(=O)c2ccc(C)s2)cc1F ZINC000012901939 564077752 /nfs/dbraw/zinc/07/77/52/564077752.db2.gz GEWRXZCQIDDKOV-LBPRGKRZSA-N 0 0 349.427 4.045 50 0 EIAARN COc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000012915791 564078111 /nfs/dbraw/zinc/07/81/11/564078111.db2.gz RBQWPEDTEYPLIL-UHFFFAOYSA-N 0 0 325.339 4.024 50 0 EIAARN O=C(Nc1cc(F)cc(F)c1)c1cccnc1SCC(F)(F)F ZINC000012926125 564078537 /nfs/dbraw/zinc/07/85/37/564078537.db2.gz FEEMQYZWZSEPQB-UHFFFAOYSA-N 0 0 348.296 4.267 50 0 EIAARN C[C@@H](Nc1nc(-c2ccsc2)nc2ccccc21)[C@H]1CCCO1 ZINC000012929930 564078667 /nfs/dbraw/zinc/07/86/67/564078667.db2.gz YQLNPRVKGHYXJQ-MLGOLLRUSA-N 0 0 325.437 4.338 50 0 EIAARN Cn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 ZINC000012930375 564078730 /nfs/dbraw/zinc/07/87/30/564078730.db2.gz ZQRGLHYTQUPWGL-UHFFFAOYSA-N 0 0 327.771 4.118 50 0 EIAARN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Nc2ccc(O)cc2)c1 ZINC000186603042 564078968 /nfs/dbraw/zinc/07/89/68/564078968.db2.gz NGKAIAVODSALJK-DEOSSOPVSA-N 0 0 346.452 4.083 50 0 EIAARN O=C(CCOc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000016005316 564079075 /nfs/dbraw/zinc/07/90/75/564079075.db2.gz GSSUQUPFCMCUSB-UHFFFAOYSA-N 0 0 341.741 4.349 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)NCc2ccco2)cc1OCC ZINC000016020876 564079146 /nfs/dbraw/zinc/07/91/46/564079146.db2.gz VGDYXZNRROPCDA-UHFFFAOYSA-N 0 0 337.803 4.051 50 0 EIAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C2CCCCC2)cc1 ZINC000012947074 564079725 /nfs/dbraw/zinc/07/97/25/564079725.db2.gz TWTANNVVMZLZFC-UHFFFAOYSA-N 0 0 335.407 4.156 50 0 EIAARN CC(C)(CO)Nc1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000075105666 564080082 /nfs/dbraw/zinc/08/00/82/564080082.db2.gz KODSBYIRQHPEQF-UHFFFAOYSA-N 0 0 339.464 4.419 50 0 EIAARN O=C(c1csc(-c2ccsc2)n1)N1CCSc2ccncc21 ZINC000075108843 564080237 /nfs/dbraw/zinc/08/02/37/564080237.db2.gz ZPJHCPBGWACKRV-UHFFFAOYSA-N 0 0 345.474 4.019 50 0 EIAARN CO[C@@H](C)C(=O)Nc1cccc(NCc2ccccc2OC(C)C)c1 ZINC000121650590 564080449 /nfs/dbraw/zinc/08/04/49/564080449.db2.gz GSNZIIYCNDYTQD-HNNXBMFYSA-N 0 0 342.439 4.059 50 0 EIAARN O=C(c1ccsc1)N(CCc1cccs1)Cc1cccnc1 ZINC000075154736 564080836 /nfs/dbraw/zinc/08/08/36/564080836.db2.gz NZSASVBQKNVXHQ-UHFFFAOYSA-N 0 0 328.462 4.090 50 0 EIAARN O=C(c1nc2ccccc2s1)N(CCc1cccs1)C1CC1 ZINC000075154792 564080839 /nfs/dbraw/zinc/08/08/39/564080839.db2.gz LRFMOQRJYRUKCZ-UHFFFAOYSA-N 0 0 328.462 4.205 50 0 EIAARN C[C@@](O)(CNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000075155370 564080854 /nfs/dbraw/zinc/08/08/54/564080854.db2.gz JXCPSRVCILRUTK-HXUWFJFHSA-N 0 0 337.444 4.053 50 0 EIAARN CC(=O)O[C@@H]1c2c3c(cc(C)c2C)OC(=O)[C@]32CC(C)(C)C[C@@]1(C)C2 ZINC000075270476 564081347 /nfs/dbraw/zinc/08/13/47/564081347.db2.gz UVZQAFLAADMICL-QMMLZNLJSA-N 0 0 342.435 4.294 50 0 EIAARN O=C(NCCCc1ccccc1)NCc1ccc(-c2cccs2)o1 ZINC000575607841 564082437 /nfs/dbraw/zinc/08/24/37/564082437.db2.gz DIEVSVNWQGLHLD-UHFFFAOYSA-N 0 0 340.448 4.440 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)o1)c1cccc(Br)c1 ZINC000575611033 564082635 /nfs/dbraw/zinc/08/26/35/564082635.db2.gz SYCRGACGQPWFKW-UHFFFAOYSA-N 0 0 346.180 4.232 50 0 EIAARN Cc1ccccc1OCC(=O)NCc1ccc(-c2ccsc2)o1 ZINC000575611868 564082723 /nfs/dbraw/zinc/08/27/23/564082723.db2.gz YXOGKFSPFOSBCO-UHFFFAOYSA-N 0 0 327.405 4.012 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000006249002 564083255 /nfs/dbraw/zinc/08/32/55/564083255.db2.gz KPRWXCJWJGGTHC-QGZVFWFLSA-N 0 0 338.451 4.391 50 0 EIAARN CC(C)c1nc(COC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)no1 ZINC000063958315 564083284 /nfs/dbraw/zinc/08/32/84/564083284.db2.gz ISAHFJBNLXQZQM-UHFFFAOYSA-N 0 0 341.411 4.329 50 0 EIAARN Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)CCCc2ccccc2)C1 ZINC000575616959 564083495 /nfs/dbraw/zinc/08/34/95/564083495.db2.gz LONZYBVXVABUAT-LJQANCHMSA-N 0 0 347.462 4.141 50 0 EIAARN CC[C@@H](C(=O)NCc1nccnc1-c1cccs1)c1ccccc1 ZINC000575620039 564083872 /nfs/dbraw/zinc/08/38/72/564083872.db2.gz IVJSHQKQMQYPHN-OAHLLOKOSA-N 0 0 337.448 4.015 50 0 EIAARN O=C(CCSc1ccccc1)NCc1cncc(-c2ccoc2)c1 ZINC000575620795 564083884 /nfs/dbraw/zinc/08/38/84/564083884.db2.gz QIPWCIHSRHBCBL-UHFFFAOYSA-N 0 0 338.432 4.140 50 0 EIAARN COc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@H]3C)c(C)o2)cc1 ZINC000118186929 564084278 /nfs/dbraw/zinc/08/42/78/564084278.db2.gz KUIVCBRDRBPVCD-CYBMUJFWSA-N 0 0 348.402 4.250 50 0 EIAARN O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCc2cnccc21 ZINC000118639022 564084349 /nfs/dbraw/zinc/08/43/49/564084349.db2.gz DUFBMWFGRFJVOI-UHFFFAOYSA-N 0 0 332.428 4.112 50 0 EIAARN Cc1c(C(=O)N(C)c2cccc3ccccc32)cnn1-c1ccncc1 ZINC000090397129 564084364 /nfs/dbraw/zinc/08/43/64/564084364.db2.gz PEFCIZYPUOEOOX-UHFFFAOYSA-N 0 0 342.402 4.006 50 0 EIAARN Cc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000006315393 564084508 /nfs/dbraw/zinc/08/45/08/564084508.db2.gz KWNCYMOPCCXYSX-UHFFFAOYSA-N 0 0 335.451 4.172 50 0 EIAARN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NC2CCCCC2)o1 ZINC000075437524 564084737 /nfs/dbraw/zinc/08/47/37/564084737.db2.gz ITJRFCNOSQJHSR-UHFFFAOYSA-N 0 0 339.395 4.162 50 0 EIAARN CC[C@H](C)NC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000075436638 564084750 /nfs/dbraw/zinc/08/47/50/564084750.db2.gz OPBQVLCZWZZZFE-NSHDSACASA-N 0 0 327.359 4.239 50 0 EIAARN Cc1cccc([C@@H](NC(=O)Nc2ccncc2C)c2ccccn2)c1 ZINC000121750072 564084771 /nfs/dbraw/zinc/08/47/71/564084771.db2.gz MRPXHZBRDFPDAZ-LJQANCHMSA-N 0 0 332.407 4.005 50 0 EIAARN O=C(COc1ccc(F)cc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000006332808 564085207 /nfs/dbraw/zinc/08/52/07/564085207.db2.gz YQXJWDLEJQNNGI-UHFFFAOYSA-N 0 0 345.704 4.098 50 0 EIAARN O=C(Nc1ccccc1Br)c1cccc(OC(F)F)c1 ZINC000006338542 564085243 /nfs/dbraw/zinc/08/52/43/564085243.db2.gz RDGJMHNLCRYECN-UHFFFAOYSA-N 0 0 342.139 4.303 50 0 EIAARN CC(C)c1ccc(O[C@H](C)c2nnc(SC(=O)C3CC3)n2C)cc1 ZINC000006390424 564085481 /nfs/dbraw/zinc/08/54/81/564085481.db2.gz GEZCPTDVTSQFLF-GFCCVEGCSA-N 0 0 345.468 4.107 50 0 EIAARN CCCCC(=O)Nc1sccc1C(=O)N[C@H](C)c1ccccc1 ZINC000006397921 564085523 /nfs/dbraw/zinc/08/55/23/564085523.db2.gz XAYQJMNYCPTHOG-CYBMUJFWSA-N 0 0 330.453 4.368 50 0 EIAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Br)cn1 ZINC000006402590 564085575 /nfs/dbraw/zinc/08/55/75/564085575.db2.gz YLLPQFJGUVGSPG-UHFFFAOYSA-N 0 0 349.272 4.389 50 0 EIAARN O=C(Nc1ccc(C(=O)Nc2ccccc2F)cc1)c1cccs1 ZINC000013000628 564086376 /nfs/dbraw/zinc/08/63/76/564086376.db2.gz UULKAHALCAOGCB-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN C(=C/c1cccnc1)\c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000096406046 564086398 /nfs/dbraw/zinc/08/63/98/564086398.db2.gz CHWQLKKFEFMWKK-ZHACJKMWSA-N 0 0 342.358 4.489 50 0 EIAARN CN(C)C(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000013006904 564086421 /nfs/dbraw/zinc/08/64/21/564086421.db2.gz MTQPLYMJPZXNJP-UHFFFAOYSA-N 0 0 329.396 4.321 50 0 EIAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(C)=O)c1 ZINC000013006141 564086434 /nfs/dbraw/zinc/08/64/34/564086434.db2.gz GKMBBMZIAJQXKL-UHFFFAOYSA-N 0 0 325.286 4.465 50 0 EIAARN Cc1nn(-c2ccccc2)nc1C(=O)Nc1c(C)cc(C)cc1Cl ZINC000013006211 564086435 /nfs/dbraw/zinc/08/64/35/564086435.db2.gz ICXSFQREZZMDPK-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN O=C(CN1CCCC1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000013009043 564086447 /nfs/dbraw/zinc/08/64/47/564086447.db2.gz ROMHRQJOCBRFLU-UHFFFAOYSA-N 0 0 330.815 4.167 50 0 EIAARN COc1ccc2cc(NC(=O)[C@@H](CC(C)C)n3cccc3)cnc2c1 ZINC000253413254 564087035 /nfs/dbraw/zinc/08/70/35/564087035.db2.gz UGZXCGAKFXLNOP-LJQANCHMSA-N 0 0 337.423 4.271 50 0 EIAARN CC(=O)Nc1ccccc1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000130129221 564087174 /nfs/dbraw/zinc/08/71/74/564087174.db2.gz VDIOKUKYENEENB-UHFFFAOYSA-N 0 0 330.378 4.088 50 0 EIAARN CCCn1cc(-c2ccncc2)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000075509038 564087326 /nfs/dbraw/zinc/08/73/26/564087326.db2.gz BNUJJDHQRNPFKT-INIZCTEOSA-N 0 0 333.435 4.451 50 0 EIAARN Cc1ccc(CNC(=O)CCc2conc2-c2ccc(C)cc2)cc1 ZINC000075510196 564087334 /nfs/dbraw/zinc/08/73/34/564087334.db2.gz RAZJPSLZXIGOEG-UHFFFAOYSA-N 0 0 334.419 4.207 50 0 EIAARN Cc1cccc(CNC(=O)CCc2conc2-c2cccc(F)c2)c1 ZINC000075510465 564087337 /nfs/dbraw/zinc/08/73/37/564087337.db2.gz BASURXYRMKVZJF-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN CCc1ccc(CNC(=O)CCc2conc2-c2ccccc2)cc1 ZINC000075510146 564087358 /nfs/dbraw/zinc/08/73/58/564087358.db2.gz NRPJWBYOERVJRZ-UHFFFAOYSA-N 0 0 334.419 4.153 50 0 EIAARN C[C@@H](c1ccccc1Cl)N(C)C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000045442810 564087474 /nfs/dbraw/zinc/08/74/74/564087474.db2.gz MEKKQDKWUFUSQE-RDGKXADDSA-N 0 0 333.859 4.255 50 0 EIAARN C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc2ccccc21 ZINC000225597810 564087479 /nfs/dbraw/zinc/08/74/79/564087479.db2.gz HBWDJTIPRBSGIK-HNNXBMFYSA-N 0 0 331.415 4.136 50 0 EIAARN Cc1cc(C)nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000000041315 564087546 /nfs/dbraw/zinc/08/75/46/564087546.db2.gz MHUUVIJCGFJNRS-UHFFFAOYSA-N 0 0 342.251 4.131 50 0 EIAARN COc1ccc(C)cc1NCCC(=O)N1CCC[C@@H]2C[C@H](C)CC[C@H]21 ZINC000064318831 564087628 /nfs/dbraw/zinc/08/76/28/564087628.db2.gz NDVUPQVGBBBQNP-SZVBFZGTSA-N 0 0 344.499 4.233 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1c2ccccc2C[C@H]1C ZINC000239402539 564088105 /nfs/dbraw/zinc/08/81/05/564088105.db2.gz QTRVUCMNVAUZIP-CHWSQXEVSA-N 0 0 344.842 4.127 50 0 EIAARN C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000241171099 564088299 /nfs/dbraw/zinc/08/82/99/564088299.db2.gz KEDBRAGCGPOSJY-INMHGKMJSA-N 0 0 328.456 4.121 50 0 EIAARN Fc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1 ZINC000001832228 564088759 /nfs/dbraw/zinc/08/87/59/564088759.db2.gz DOVJBAIGNFCOAK-AWEZNQCLSA-N 0 0 345.740 4.257 50 0 EIAARN CCn1ccc2cc(CCC(=O)NCc3cc(F)cc(F)c3)ccc21 ZINC000075550634 564089328 /nfs/dbraw/zinc/08/93/28/564089328.db2.gz ZZNBREUQTSFUOL-UHFFFAOYSA-N 0 0 342.389 4.188 50 0 EIAARN CCOc1ccc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000075568041 564089545 /nfs/dbraw/zinc/08/95/45/564089545.db2.gz MYYUOGFDWMCUBD-LBPRGKRZSA-N 0 0 345.342 4.311 50 0 EIAARN CCOc1ccc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)cc1 ZINC000075568043 564089562 /nfs/dbraw/zinc/08/95/62/564089562.db2.gz MYYUOGFDWMCUBD-GFCCVEGCSA-N 0 0 345.342 4.311 50 0 EIAARN COc1cccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1O ZINC000075572402 564089581 /nfs/dbraw/zinc/08/95/81/564089581.db2.gz UEWMHEPUCKNVHT-UHFFFAOYSA-N 0 0 340.379 4.092 50 0 EIAARN Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000075605162 564089741 /nfs/dbraw/zinc/08/97/41/564089741.db2.gz HYHWPPMQAQRAFK-GFCCVEGCSA-N 0 0 336.867 4.005 50 0 EIAARN CCN(C(=O)N[C@@H](C)c1cc(C)ccc1OC)[C@H](C)c1cccnc1 ZINC000075613246 564089907 /nfs/dbraw/zinc/08/99/07/564089907.db2.gz FRHAHMYEOZBSST-JKSUJKDBSA-N 0 0 341.455 4.252 50 0 EIAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccnc2)cc1 ZINC000007884099 564090070 /nfs/dbraw/zinc/09/00/70/564090070.db2.gz RBMWYNIKSDBZJR-HXUWFJFHSA-N 0 0 345.402 4.251 50 0 EIAARN Cc1nc([C@@H]2CCCN2C(=O)Nc2ncc(C(C)C)s2)cs1 ZINC000192399947 564090144 /nfs/dbraw/zinc/09/01/44/564090144.db2.gz HSHTZRCIQNIRII-LBPRGKRZSA-N 0 0 336.486 4.400 50 0 EIAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc2ccccc21 ZINC000001922912 564090268 /nfs/dbraw/zinc/09/02/68/564090268.db2.gz AFEJTLFLBHVFBH-CQSZACIVSA-N 0 0 349.386 4.032 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000001961918 564090401 /nfs/dbraw/zinc/09/04/01/564090401.db2.gz DKSKFRBWXXLSKP-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)c2cccnc12 ZINC000089438446 564090609 /nfs/dbraw/zinc/09/06/09/564090609.db2.gz XHRDXRGAPOMPCO-QGZVFWFLSA-N 0 0 348.406 4.007 50 0 EIAARN CS(=O)(=O)Cc1ccc(Cl)cc1NCc1cc2ccccc2o1 ZINC000089484371 564090757 /nfs/dbraw/zinc/09/07/57/564090757.db2.gz BUKNSZHHHDRGII-UHFFFAOYSA-N 0 0 349.839 4.243 50 0 EIAARN C[C@@H]1CCC[C@H](OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)C1 ZINC000521394010 564090881 /nfs/dbraw/zinc/09/08/81/564090881.db2.gz HSNAAGPUGCCJQJ-QSOKESPWSA-N 0 0 342.439 4.410 50 0 EIAARN c1ccc2sc(CSc3nnc4[nH]c5ccccc5n43)nc2c1 ZINC000006506961 564091133 /nfs/dbraw/zinc/09/11/33/564091133.db2.gz WJGOHINRJNKKKL-UHFFFAOYSA-N 0 0 337.433 4.113 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)NC2CCC(C)CC2)cc1OC ZINC000006510248 564091246 /nfs/dbraw/zinc/09/12/46/564091246.db2.gz SUXNLGPBQUJXTN-UHFFFAOYSA-N 0 0 339.863 4.446 50 0 EIAARN O=C(Cc1ccccc1Cl)Nc1nc(-c2ccccn2)cs1 ZINC000006509811 564091256 /nfs/dbraw/zinc/09/12/56/564091256.db2.gz LZLLYSQQAROASQ-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN C[C@H](Oc1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 ZINC000006553617 564092008 /nfs/dbraw/zinc/09/20/08/564092008.db2.gz YFNQXSGHWQVTDQ-VIFPVBQESA-N 0 0 335.190 4.370 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000006587918 564092356 /nfs/dbraw/zinc/09/23/56/564092356.db2.gz ZNCJWUGGPGMIPX-CQSZACIVSA-N 0 0 325.408 4.153 50 0 EIAARN CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006593921 564092551 /nfs/dbraw/zinc/09/25/51/564092551.db2.gz GGWFICRCOOENLX-UHFFFAOYSA-N 0 0 336.284 4.337 50 0 EIAARN Cc1oc(-c2cccs2)nc1COc1ccccc1-c1nc[nH]n1 ZINC000089548249 564092800 /nfs/dbraw/zinc/09/28/00/564092800.db2.gz XYCSYGFPHBCHLK-UHFFFAOYSA-N 0 0 338.392 4.076 50 0 EIAARN Cc1c(C(=O)N[C@@H](CC(C)C)c2ccccc2)sc2nccn12 ZINC000089565354 564092874 /nfs/dbraw/zinc/09/28/74/564092874.db2.gz GSTZZHNZLVXTTG-HNNXBMFYSA-N 0 0 327.453 4.221 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000006609063 564093257 /nfs/dbraw/zinc/09/32/57/564093257.db2.gz PZPODNOUAUTUTQ-GFCCVEGCSA-N 0 0 339.313 4.300 50 0 EIAARN CCn1c(SCc2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000000533428 564093272 /nfs/dbraw/zinc/09/32/72/564093272.db2.gz FRHSVLLPFLVUBJ-UHFFFAOYSA-N 0 0 330.478 4.387 50 0 EIAARN CN(CC[C@H]1CCCCO1)C(=O)c1ccc(-c2ccsc2)cc1 ZINC000426470778 564093816 /nfs/dbraw/zinc/09/38/16/564093816.db2.gz DCMPAGIQXVMKDM-GOSISDBHSA-N 0 0 329.465 4.446 50 0 EIAARN COc1ccc(CN(C)C(=O)[C@@H]2CC23CCCCC3)c2cccnc12 ZINC000426477847 564093823 /nfs/dbraw/zinc/09/38/23/564093823.db2.gz FFBSIGFBESNMPE-KRWDZBQOSA-N 0 0 338.451 4.172 50 0 EIAARN CCN(C(=O)c1ccc(-c2cncc3ccccc32)cc1)[C@@H](C)CCO ZINC000426492810 564093871 /nfs/dbraw/zinc/09/38/71/564093871.db2.gz MQTDGKIANXFYCU-INIZCTEOSA-N 0 0 348.446 4.135 50 0 EIAARN CN(CCC[C@H]1CCCO1)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000426531890 564094045 /nfs/dbraw/zinc/09/40/45/564094045.db2.gz ZRCHNDCEIWIXTL-ZDUSSCGKSA-N 0 0 345.270 4.094 50 0 EIAARN CCC[C@H](NC(=O)c1cccc(-c2ccncc2C)c1)c1nccn1C ZINC000426548542 564094121 /nfs/dbraw/zinc/09/41/21/564094121.db2.gz PVMZDMLVZHZRSE-IBGZPJMESA-N 0 0 348.450 4.062 50 0 EIAARN COc1ccc(CCC(=O)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000006627049 564094677 /nfs/dbraw/zinc/09/46/77/564094677.db2.gz HBCSZFKQWIMJKY-UHFFFAOYSA-N 0 0 340.448 4.493 50 0 EIAARN O=C(CSc1nc2ccccc2s1)NCc1cccc(Cl)c1 ZINC000006628251 564094703 /nfs/dbraw/zinc/09/47/03/564094703.db2.gz WOIFIHXRTOBHKD-UHFFFAOYSA-N 0 0 348.880 4.358 50 0 EIAARN CCCCSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000006635774 564094740 /nfs/dbraw/zinc/09/47/40/564094740.db2.gz AFKCAXMJAUWBDI-LLVKDONJSA-N 0 0 329.466 4.184 50 0 EIAARN Cc1ccc2cnn(C(=O)Nc3cccc(Br)c3)c2c1 ZINC000064662674 564094834 /nfs/dbraw/zinc/09/48/34/564094834.db2.gz LRVZXJVTINQUCD-UHFFFAOYSA-N 0 0 330.185 4.187 50 0 EIAARN O=C(CC1CCCC1)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064663019 564094852 /nfs/dbraw/zinc/09/48/52/564094852.db2.gz AFIYUKPGPKDFJN-UHFFFAOYSA-N 0 0 335.451 4.015 50 0 EIAARN Cc1ccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1F ZINC000006639417 564094885 /nfs/dbraw/zinc/09/48/85/564094885.db2.gz JEFXUYVMSZJLNN-UHFFFAOYSA-N 0 0 327.186 4.492 50 0 EIAARN O=c1c2scc(-c3ccccc3)c2ncn1CCOc1ccccc1 ZINC000064667578 564094975 /nfs/dbraw/zinc/09/49/75/564094975.db2.gz GUCLCLYVOXXGRG-UHFFFAOYSA-N 0 0 348.427 4.204 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)cs2)n1C ZINC000064676628 564095225 /nfs/dbraw/zinc/09/52/25/564095225.db2.gz PNXQLMWPVPZPBT-UHFFFAOYSA-N 0 0 331.828 4.363 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2ccccc2F)o1 ZINC000006653523 564095468 /nfs/dbraw/zinc/09/54/68/564095468.db2.gz SPBULJXKQPPHPT-UHFFFAOYSA-N 0 0 329.356 4.067 50 0 EIAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)NCCc1ccccc1 ZINC000006662030 564095611 /nfs/dbraw/zinc/09/56/11/564095611.db2.gz WGLZPWDNAJNIFF-UHFFFAOYSA-N 0 0 336.460 4.399 50 0 EIAARN CCCn1cnc2cc(CNC(=O)c3ccc(C(C)C)cc3)ccc21 ZINC000064755057 564095884 /nfs/dbraw/zinc/09/58/84/564095884.db2.gz DQIZSDFXWDFUQA-UHFFFAOYSA-N 0 0 335.451 4.500 50 0 EIAARN CCn1cnc2ccc(-c3noc(Cc4cccc(Cl)c4)n3)cc21 ZINC000064759510 564096014 /nfs/dbraw/zinc/09/60/14/564096014.db2.gz RZVASUWYMOUIML-UHFFFAOYSA-N 0 0 338.798 4.350 50 0 EIAARN CC(C)c1cc(Nc2ccccc2)n2nc(-c3cccnc3)nc2n1 ZINC000064790974 564096204 /nfs/dbraw/zinc/09/62/04/564096204.db2.gz OYFSVTMGIUGUKB-UHFFFAOYSA-N 0 0 330.395 4.053 50 0 EIAARN CC(C)(C)CC(=O)Nc1nnc(SCCc2ccccc2)s1 ZINC000006706365 564096259 /nfs/dbraw/zinc/09/62/59/564096259.db2.gz WDHPKWYNQAZXLZ-UHFFFAOYSA-N 0 0 335.498 4.248 50 0 EIAARN CCC(=O)N(Cc1nccn1Cc1c(C)cc(C)cc1C)CC(C)C ZINC000006724002 564096446 /nfs/dbraw/zinc/09/64/46/564096446.db2.gz NMSCZCIHVMSYGF-UHFFFAOYSA-N 0 0 341.499 4.251 50 0 EIAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccccc1C(F)(F)F ZINC000064820015 564096571 /nfs/dbraw/zinc/09/65/71/564096571.db2.gz MELBCLYSQOKSDY-UHFFFAOYSA-N 0 0 347.296 4.316 50 0 EIAARN Cc1cc(C)cc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c1 ZINC000006737013 564096659 /nfs/dbraw/zinc/09/66/59/564096659.db2.gz BHALBECURSAGJR-UHFFFAOYSA-N 0 0 349.434 4.404 50 0 EIAARN CN1CCCc2cc(NC(=O)c3cnc(C(C)(C)C)s3)ccc21 ZINC000064843618 564096824 /nfs/dbraw/zinc/09/68/24/564096824.db2.gz MISOYTZBUIWYLA-UHFFFAOYSA-N 0 0 329.469 4.075 50 0 EIAARN C[C@@H]1CCC[C@H](C)N1c1nnc(NC(=O)Nc2ccc(F)cc2)s1 ZINC000006750560 564097111 /nfs/dbraw/zinc/09/71/11/564097111.db2.gz JXBGYTRTXWPAPJ-PHIMTYICSA-N 0 0 349.435 4.089 50 0 EIAARN C[C@H]1Cn2c(C(=O)NCc3ccccc3)cc3c2c(ccc3Cl)O1 ZINC000006750814 564097133 /nfs/dbraw/zinc/09/71/33/564097133.db2.gz CJIHGYVCMLCCNH-LBPRGKRZSA-N 0 0 340.810 4.006 50 0 EIAARN Cc1ccc(F)cc1Nc1nc2ccc(Cl)cc2n2cnnc12 ZINC000006752083 564097206 /nfs/dbraw/zinc/09/72/06/564097206.db2.gz DSSSFVHXTKUOGG-UHFFFAOYSA-N 0 0 327.750 4.122 50 0 EIAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1 ZINC000006752963 564097222 /nfs/dbraw/zinc/09/72/22/564097222.db2.gz FBFBQHZGCORLBG-HXUWFJFHSA-N 0 0 347.418 4.128 50 0 EIAARN Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4cccnc4)nc3c12 ZINC000006759053 564097286 /nfs/dbraw/zinc/09/72/86/564097286.db2.gz QAJFMEVDFMQLTQ-UHFFFAOYSA-N 0 0 346.438 4.263 50 0 EIAARN O=C(Cc1csc(-c2ccccc2)n1)NCCC1=CCCCC1 ZINC000006760353 564097318 /nfs/dbraw/zinc/09/73/18/564097318.db2.gz SCIPNJPFEJJEBW-UHFFFAOYSA-N 0 0 326.465 4.359 50 0 EIAARN Cc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000006767430 564097364 /nfs/dbraw/zinc/09/73/64/564097364.db2.gz AWOBOZGBKCFGHI-UHFFFAOYSA-N 0 0 328.774 4.060 50 0 EIAARN Cc1cc(C)cc(-c2nc(-c3ccc4c(c3)[nH]c(=O)n4C(C)C)no2)c1 ZINC000064891125 564097458 /nfs/dbraw/zinc/09/74/58/564097458.db2.gz XFLSBOVNCNJGQV-UHFFFAOYSA-N 0 0 348.406 4.244 50 0 EIAARN CCc1c(C(=O)NCC(C)C)c(CC(C)C)nn1-c1ccccc1 ZINC000006773426 564097551 /nfs/dbraw/zinc/09/75/51/564097551.db2.gz MZBQTEIUEUJJDA-UHFFFAOYSA-N 0 0 327.472 4.019 50 0 EIAARN Cn1cc(CCCC(=O)NCc2ccccc2Cl)c2ccccc21 ZINC000006782652 564097612 /nfs/dbraw/zinc/09/76/12/564097612.db2.gz RCRUSNJNXVHTCK-UHFFFAOYSA-N 0 0 340.854 4.471 50 0 EIAARN CC(=O)N(c1nnc(SCc2c(C)cc(C)cc2C)s1)C1CC1 ZINC000064927722 564097828 /nfs/dbraw/zinc/09/78/28/564097828.db2.gz HULNCIHKZCOKLY-UHFFFAOYSA-N 0 0 347.509 4.271 50 0 EIAARN Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1F ZINC000006789513 564097861 /nfs/dbraw/zinc/09/78/61/564097861.db2.gz QNBIGGZNCRDJIY-UHFFFAOYSA-N 0 0 332.425 4.249 50 0 EIAARN COc1cc(C(=O)NCc2cccc(Cl)c2)ccc1OCC(C)C ZINC000006790318 564097927 /nfs/dbraw/zinc/09/79/27/564097927.db2.gz XOITVORKVXFZIN-UHFFFAOYSA-N 0 0 347.842 4.313 50 0 EIAARN CCC[NH2+]Cc1c2ccccc2n(Cc2ccccc2C)c1C(=O)[O-] ZINC000006803258 564098308 /nfs/dbraw/zinc/09/83/08/564098308.db2.gz GTWXTMFCFZROCG-UHFFFAOYSA-N 0 0 336.435 4.196 50 0 EIAARN CCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21 ZINC000064960969 564098575 /nfs/dbraw/zinc/09/85/75/564098575.db2.gz RSFRJGVURUKGRM-UHFFFAOYSA-N 0 0 345.402 4.355 50 0 EIAARN Cc1cc(C)c2oc(C(=O)Nc3ccc(Cl)cc3)cc(=O)c2c1 ZINC000006811313 564098598 /nfs/dbraw/zinc/09/85/98/564098598.db2.gz COUNRKOYRUOBJS-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN COc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c(OC)c1 ZINC000064968244 564098735 /nfs/dbraw/zinc/09/87/35/564098735.db2.gz VMSZIQOBMNXXCP-UHFFFAOYSA-N 0 0 340.379 4.221 50 0 EIAARN C[C@@H](NC(=O)c1nn(C)c2c1CSc1ccccc1-2)c1ccccc1 ZINC000006817729 564098772 /nfs/dbraw/zinc/09/87/72/564098772.db2.gz YCUGUHKRAUIJAV-CYBMUJFWSA-N 0 0 349.459 4.184 50 0 EIAARN Cc1cccc(Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c1 ZINC000064977412 564098808 /nfs/dbraw/zinc/09/88/08/564098808.db2.gz MZKJNIUXMBXWCY-UHFFFAOYSA-N 0 0 349.821 4.173 50 0 EIAARN O=C(COc1ccc(F)cc1Cl)Nc1ccccc1N1CCCC1 ZINC000006821770 564098854 /nfs/dbraw/zinc/09/88/54/564098854.db2.gz FDHSJTXORFAXMJ-UHFFFAOYSA-N 0 0 348.805 4.097 50 0 EIAARN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NC2CCCCC2)n1 ZINC000065009998 564099537 /nfs/dbraw/zinc/09/95/37/564099537.db2.gz AGUIRCJKQPSDLC-UHFFFAOYSA-N 0 0 339.395 4.162 50 0 EIAARN CC(C)C(=O)Nc1ccc(C2(C(=O)N3CCCC3)CCCCC2)cc1 ZINC000065027507 564099686 /nfs/dbraw/zinc/09/96/86/564099686.db2.gz WLYZFWMVYXMJSB-UHFFFAOYSA-N 0 0 342.483 4.105 50 0 EIAARN COc1cc(NC(=O)c2ccc(-c3cccc(C)c3)nc2)cc(OC)c1 ZINC000065030034 564099708 /nfs/dbraw/zinc/09/97/08/564099708.db2.gz FTZSJJFUCNSKEF-UHFFFAOYSA-N 0 0 348.402 4.327 50 0 EIAARN O=C(NCc1ccccc1Cl)c1ccc(-c2cccc(F)c2)nc1 ZINC000065030147 564099724 /nfs/dbraw/zinc/09/97/24/564099724.db2.gz YWXXOEQDNOSCGT-UHFFFAOYSA-N 0 0 340.785 4.471 50 0 EIAARN COC(=O)c1cc(Nc2cc(F)ccc2F)c2cc(C)ccc2n1 ZINC000065033571 564099872 /nfs/dbraw/zinc/09/98/72/564099872.db2.gz HMPHLGKMXSNACS-UHFFFAOYSA-N 0 0 328.318 4.352 50 0 EIAARN CCc1ccc2nc(C(=O)OC)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000065033767 564099940 /nfs/dbraw/zinc/09/99/40/564099940.db2.gz KKJVCMINDXWFLS-UHFFFAOYSA-N 0 0 349.434 4.393 50 0 EIAARN Cc1cccc(OCCC(=O)Nc2ccc(C)cc2Br)c1 ZINC000006867647 564100124 /nfs/dbraw/zinc/10/01/24/564100124.db2.gz QKFUSVBQCRTVLV-UHFFFAOYSA-N 0 0 348.240 4.474 50 0 EIAARN CCc1nn(-c2ccc(Cl)cc2)c(CC)c1C(=O)NCC(C)C ZINC000006874495 564100226 /nfs/dbraw/zinc/10/02/26/564100226.db2.gz CNAXTVYEJHQSGE-UHFFFAOYSA-N 0 0 333.863 4.036 50 0 EIAARN CCOc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1 ZINC000006912131 564101233 /nfs/dbraw/zinc/10/12/33/564101233.db2.gz VNHTWYHPCXMNFI-UHFFFAOYSA-N 0 0 336.435 4.124 50 0 EIAARN CNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1 ZINC000006913598 564101278 /nfs/dbraw/zinc/10/12/78/564101278.db2.gz VARVCHQSTJCYJZ-UHFFFAOYSA-N 0 0 326.827 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ZINC000002105834 564117898 /nfs/dbraw/zinc/11/78/98/564117898.db2.gz AEDXTQTXHLFXGF-HXUWFJFHSA-N 0 0 346.471 4.273 50 0 EIAARN CCCCCOc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000002111342 564118078 /nfs/dbraw/zinc/11/80/78/564118078.db2.gz PHXAHNHFSUYNBQ-WIYYLYMNSA-N 0 0 345.483 4.023 50 0 biogenic EIAARN O=C(Cc1c[nH]c2ccccc12)n1ccccc1=NC1CCCCC1 ZINC000252452839 564118559 /nfs/dbraw/zinc/11/85/59/564118559.db2.gz HPKVZODGPPUYBW-UHFFFAOYSA-N 0 0 333.435 4.086 50 0 EIAARN Nc1ccc(-c2nc3c(cc(Cl)c(N)c3Cl)[nH]2)cc1Cl ZINC000000361075 564118852 /nfs/dbraw/zinc/11/88/52/564118852.db2.gz MJKKSBXDAFVHJB-UHFFFAOYSA-N 0 0 327.602 4.355 50 0 EIAARN O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cccc(Cl)c1 ZINC000007595843 564118907 /nfs/dbraw/zinc/11/89/07/564118907.db2.gz UGXGGBXWJSFZBJ-UHFFFAOYSA-N 0 0 331.202 4.265 50 0 EIAARN Cc1cnccc1NC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000252480710 564119175 /nfs/dbraw/zinc/11/91/75/564119175.db2.gz CDWOFJQIMKXMFU-ZDUSSCGKSA-N 0 0 331.366 4.080 50 0 EIAARN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCC[C@H]1C1CCC1 ZINC000252483656 564119271 /nfs/dbraw/zinc/11/92/71/564119271.db2.gz FGPFADCNRCOFKH-AWEZNQCLSA-N 0 0 347.365 4.079 50 0 EIAARN CC(C)C(=O)Nc1cccc(NCc2ccc(N(C)C(C)C)nc2)c1 ZINC000252489808 564119451 /nfs/dbraw/zinc/11/94/51/564119451.db2.gz KBDWDRPWUNKLGJ-UHFFFAOYSA-N 0 0 340.471 4.133 50 0 EIAARN CCOC(=O)Cc1ccc(NC(=O)c2occc2C(C)C)c(Cl)c1 ZINC000252494354 564119660 /nfs/dbraw/zinc/11/96/60/564119660.db2.gz NSWSQAQUVNNPCR-UHFFFAOYSA-N 0 0 349.814 4.414 50 0 EIAARN CCC1=C(C(=O)Nc2ccccc2OCc2cscn2)CCCO1 ZINC000252497078 564119693 /nfs/dbraw/zinc/11/96/93/564119693.db2.gz PYJPCJMPBJZJCR-UHFFFAOYSA-N 0 0 344.436 4.135 50 0 EIAARN C[C@H](O)c1ncc(C(=O)Nc2ccc(Nc3ccccc3)cc2)s1 ZINC000252507697 564119955 /nfs/dbraw/zinc/11/99/55/564119955.db2.gz WRVPOOCQSZVELG-LBPRGKRZSA-N 0 0 339.420 4.192 50 0 EIAARN CN(C(=O)c1c[nH]c2ncccc12)C1CCC(c2ccccc2)CC1 ZINC000065785420 564120608 /nfs/dbraw/zinc/12/06/08/564120608.db2.gz DRAADLRYRLPOAU-UHFFFAOYSA-N 0 0 333.435 4.361 50 0 EIAARN CO[C@@](F)(C(=O)Nc1cccc(Nc2ccccc2)c1)C(F)(F)F ZINC000002192060 564120716 /nfs/dbraw/zinc/12/07/16/564120716.db2.gz OQKYCBDKBXPKBF-HNNXBMFYSA-N 0 0 342.292 4.243 50 0 EIAARN CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1cccs1 ZINC000007614177 564120978 /nfs/dbraw/zinc/12/09/78/564120978.db2.gz IQCRHDNXKYVFQG-UHFFFAOYSA-N 0 0 336.888 4.479 50 0 EIAARN CC1CCC(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)CC1 ZINC000139468291 564121248 /nfs/dbraw/zinc/12/12/48/564121248.db2.gz OWVWSYDYAGINOI-UHFFFAOYSA-N 0 0 349.434 4.304 50 0 EIAARN O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc(F)cc1Cl ZINC000007651160 564121535 /nfs/dbraw/zinc/12/15/35/564121535.db2.gz FSUMBXZATOAYOT-UHFFFAOYSA-N 0 0 344.817 4.207 50 0 EIAARN Cc1cc(C)cc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1 ZINC000007725898 564122340 /nfs/dbraw/zinc/12/23/40/564122340.db2.gz RMKMRUIXKIJPAA-UHFFFAOYSA-N 0 0 338.407 4.130 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc2ncccc21 ZINC000007757896 564122680 /nfs/dbraw/zinc/12/26/80/564122680.db2.gz VRZAGSDFXFGHIR-UHFFFAOYSA-N 0 0 330.309 4.435 50 0 EIAARN Cc1ccc(OCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000007781221 564123219 /nfs/dbraw/zinc/12/32/19/564123219.db2.gz LLMMFSCBKXBGMM-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000195529918 564123607 /nfs/dbraw/zinc/12/36/07/564123607.db2.gz LCSQDVGQLONUGF-QHAWAJNXSA-N 0 0 328.415 4.091 50 0 EIAARN Cc1ccc(F)cc1CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000195559017 564123817 /nfs/dbraw/zinc/12/38/17/564123817.db2.gz QYRVINWLSNUWNF-NRFANRHFSA-N 0 0 325.836 4.278 50 0 EIAARN COC(=O)CCn1c(C)cc(-c2csc(NC3CCCC3)n2)c1C ZINC000007843306 564124180 /nfs/dbraw/zinc/12/41/80/564124180.db2.gz JZCVNKZJTFGQNA-UHFFFAOYSA-N 0 0 347.484 4.146 50 0 EIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC(F)F)cc1 ZINC000007886453 564124458 /nfs/dbraw/zinc/12/44/58/564124458.db2.gz IPDSBOZYZYUOOS-INIZCTEOSA-N 0 0 332.350 4.265 50 0 EIAARN CN(CCc1ccccn1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000015208087 564125009 /nfs/dbraw/zinc/12/50/09/564125009.db2.gz BECZMSJLLFHAPH-UHFFFAOYSA-N 0 0 340.430 4.371 50 0 EIAARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C ZINC000003977934 564125661 /nfs/dbraw/zinc/12/56/61/564125661.db2.gz IMONTRJLAWHYGT-BPIQYHPVSA-N 0 0 340.463 4.063 50 0 biogenic,in-man EIAARN C=C1C[C@@H]2[C@H]3CC[C@@](O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@]2(C)CCC(=O)C=C12 ZINC000004011609 564128940 /nfs/dbraw/zinc/12/89/40/564128940.db2.gz JKPFAFOFFYRBDB-HCWGXPEJSA-N 0 0 342.479 4.005 50 0 EIAARN C[C@@H]1CC[C@@H](C)P1C1=C(P2[C@H](C)CC[C@H]2C)C(=O)N(C)C1=O ZINC000043763899 564129220 /nfs/dbraw/zinc/12/92/20/564129220.db2.gz FEGBWCLLHLHNHF-FDYHWXHSSA-N 0 0 339.356 4.302 50 0 EIAARN C[C@@H]1CCC[C@H](Nc2cccc(C[S@](=O)C3CCOCC3)c2)[C@H]1C ZINC000253369410 564130284 /nfs/dbraw/zinc/13/02/84/564130284.db2.gz CFYJWEVOTAVRLM-ONKLLMOWSA-N 0 0 349.540 4.351 50 0 EIAARN C[C@@H](O)c1ncc(C(=O)Nc2cccc(Nc3ccccc3)c2)s1 ZINC000253404282 564130608 /nfs/dbraw/zinc/13/06/08/564130608.db2.gz ILBSJTZTJDPWJG-GFCCVEGCSA-N 0 0 339.420 4.192 50 0 EIAARN CN(Cc1cc2ccccc2o1)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC000253416332 564130751 /nfs/dbraw/zinc/13/07/51/564130751.db2.gz CHRIEUYYUKCUOK-UHFFFAOYSA-N 0 0 338.407 4.277 50 0 EIAARN CC(C)c1cc(CNC(=O)N2CCCC[C@H]2c2cccc(F)c2)no1 ZINC000584891394 564131566 /nfs/dbraw/zinc/13/15/66/564131566.db2.gz YCNQDQDJDPWFIO-KRWDZBQOSA-N 0 0 345.418 4.374 50 0 EIAARN C[C@@H](c1ccccn1)N(C)C(=O)NCCCSC1CCCCC1 ZINC000584899168 564131674 /nfs/dbraw/zinc/13/16/74/564131674.db2.gz XZERKJMRTDJIMP-HNNXBMFYSA-N 0 0 335.517 4.240 50 0 EIAARN COCc1nc(C(=O)N2CCCc3cc(-c4ccccc4)ccc32)co1 ZINC000253431025 564131773 /nfs/dbraw/zinc/13/17/73/564131773.db2.gz PZQBUMIAXTVCDF-UHFFFAOYSA-N 0 0 348.402 4.081 50 0 EIAARN COc1ccc(OC(C)C)c(NC(=O)c2nc(Cl)sc2C)c1 ZINC000253433531 564131946 /nfs/dbraw/zinc/13/19/46/564131946.db2.gz YANBRTBEJBKQNU-UHFFFAOYSA-N 0 0 340.832 4.153 50 0 EIAARN CCCCCCc1nnc(NC(=O)Nc2cccc(OC)c2)s1 ZINC000002366347 564133789 /nfs/dbraw/zinc/13/37/89/564133789.db2.gz HAMPEOBDAMMHLS-UHFFFAOYSA-N 0 0 334.445 4.314 50 0 EIAARN CCCSc1nc2sc3c(c2c2nncn21)C[C@@](C)(CC)OC3 ZINC000002381998 564134180 /nfs/dbraw/zinc/13/41/80/564134180.db2.gz RPIAIAQGDHOATB-MRXNPFEDSA-N 0 0 348.497 4.083 50 0 EIAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000002399298 564134522 /nfs/dbraw/zinc/13/45/22/564134522.db2.gz LSTZACRXYJCYDJ-DVECYGJZSA-N 0 0 347.395 4.164 50 0 EIAARN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000002426887 564134973 /nfs/dbraw/zinc/13/49/73/564134973.db2.gz ALAZOKKCQXKWCP-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN COc1ccc2[nH]c3c(ncnc3NCCCc3ccccc3)c2c1 ZINC000002431965 564135083 /nfs/dbraw/zinc/13/50/83/564135083.db2.gz IWBKHCFMCUDAMC-UHFFFAOYSA-N 0 0 332.407 4.164 50 0 EIAARN C[C@@H]1[C@@H](c2cccc3ccccc32)c2cc3c(cc2O[C@]1(C)O)OCO3 ZINC000012857449 564135669 /nfs/dbraw/zinc/13/56/69/564135669.db2.gz OKEDHTSICXDDKB-ZKCQSVRFSA-N 0 0 348.398 4.437 50 0 EIAARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000013081236 564135994 /nfs/dbraw/zinc/13/59/94/564135994.db2.gz NPFYYORNAPMNMZ-SDXDJHTJSA-N 0 0 337.231 4.288 50 0 EIAARN CCCN(C(C)=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013364457 564136299 /nfs/dbraw/zinc/13/62/99/564136299.db2.gz XLUKYCOKGAWLOI-UHFFFAOYSA-N 0 0 339.258 4.336 50 0 EIAARN CCC(=O)N(CC)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013364576 564136305 /nfs/dbraw/zinc/13/63/05/564136305.db2.gz CWIRPMXMSAGKDJ-UHFFFAOYSA-N 0 0 339.258 4.336 50 0 EIAARN CCCNC(=O)[C@@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369182 564136321 /nfs/dbraw/zinc/13/63/21/564136321.db2.gz SISKZVYRRPFTCZ-CYBMUJFWSA-N 0 0 341.842 4.444 50 0 EIAARN CC(C)Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000002457173 564136361 /nfs/dbraw/zinc/13/63/61/564136361.db2.gz DATLDVWUGLJFEU-OAHLLOKOSA-N 0 0 329.465 4.025 50 0 EIAARN COc1ccc(F)cc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000092872909 564136407 /nfs/dbraw/zinc/13/64/07/564136407.db2.gz YCHRNEBHNRKJRA-UHFFFAOYSA-N 0 0 331.240 4.245 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000007960324 564136995 /nfs/dbraw/zinc/13/69/95/564136995.db2.gz WLZGAPQQVJSRIF-UHFFFAOYSA-N 0 0 339.483 4.216 50 0 EIAARN CS[C@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000078821148 564137227 /nfs/dbraw/zinc/13/72/27/564137227.db2.gz CWSSUFZAKKPWPY-IAQYHMDHSA-N 0 0 349.887 4.145 50 0 EIAARN Cc1ccnc(SCc2nc(-c3ccc(C(C)C)cc3)no2)n1 ZINC000078879573 564137298 /nfs/dbraw/zinc/13/72/98/564137298.db2.gz BOZSRJSNMVQBTN-UHFFFAOYSA-N 0 0 326.425 4.251 50 0 EIAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1cc(C2CC2)on1 ZINC000390827220 564138547 /nfs/dbraw/zinc/13/85/47/564138547.db2.gz VBWFTDLFFOMNKK-HNNXBMFYSA-N 0 0 330.434 4.194 50 0 EIAARN O=C(NC1(c2cccs2)CCOCC1)c1cc2ccccc2s1 ZINC000390828665 564138549 /nfs/dbraw/zinc/13/85/49/564138549.db2.gz SRKSZEYQBYSYQB-UHFFFAOYSA-N 0 0 343.473 4.399 50 0 EIAARN O=C(NCCc1ccc(-c2ccoc2)s1)NCc1cccs1 ZINC000390828194 564138569 /nfs/dbraw/zinc/13/85/69/564138569.db2.gz AGWVLTYSQROYLN-UHFFFAOYSA-N 0 0 332.450 4.112 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1CSC(C)(C)C ZINC000390828439 564138574 /nfs/dbraw/zinc/13/85/74/564138574.db2.gz BAUWNJWYPOYBCB-HZPDHXFCSA-N 0 0 335.513 4.367 50 0 EIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 ZINC000390830245 564138663 /nfs/dbraw/zinc/13/86/63/564138663.db2.gz JRQQSNIVYKXKLK-CYBMUJFWSA-N 0 0 327.440 4.491 50 0 EIAARN O=C(Nc1cccc(Oc2cccnn2)c1)c1coc2cc(F)ccc12 ZINC000390833541 564138832 /nfs/dbraw/zinc/13/88/32/564138832.db2.gz JBMUYDDTNGHSDY-UHFFFAOYSA-N 0 0 349.321 4.407 50 0 EIAARN CCc1oc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C ZINC000390834228 564138903 /nfs/dbraw/zinc/13/89/03/564138903.db2.gz UVSSWXTWLVXQIX-WMZOPIPTSA-N 0 0 345.414 4.282 50 0 EIAARN CC[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ncc(C)s1 ZINC000095437382 564140422 /nfs/dbraw/zinc/14/04/22/564140422.db2.gz OOHGZGZROIIFDX-GFCCVEGCSA-N 0 0 330.375 4.433 50 0 EIAARN O=C(Cc1coc2ccc3ccccc3c12)N1CCC[C@H]1c1ncc[nH]1 ZINC000095458550 564140680 /nfs/dbraw/zinc/14/06/80/564140680.db2.gz NMWOYBAUVFBSOD-KRWDZBQOSA-N 0 0 345.402 4.215 50 0 EIAARN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCO2 ZINC000095465831 564141004 /nfs/dbraw/zinc/14/10/04/564141004.db2.gz KRZVRDZRQQNTEJ-LJQANCHMSA-N 0 0 337.394 4.127 50 0 EIAARN CN(Cc1ccccc1Cl)C(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000095466961 564141037 /nfs/dbraw/zinc/14/10/37/564141037.db2.gz OLQGKKHGBRKJCB-UHFFFAOYSA-N 0 0 340.814 4.394 50 0 EIAARN CC(C)n1ccc2cc(C(=O)NCc3nc4ccccc4[nH]3)ccc21 ZINC000095476438 564141433 /nfs/dbraw/zinc/14/14/33/564141433.db2.gz DVCOASWRRXBIHX-UHFFFAOYSA-N 0 0 332.407 4.029 50 0 EIAARN CC(C)C[C@@H]1SCC(=O)Nc2c1cnn2-c1nc2ccccc2[nH]1 ZINC000095476464 564141460 /nfs/dbraw/zinc/14/14/60/564141460.db2.gz UQRQYABHAPQKLL-AWEZNQCLSA-N 0 0 341.440 4.171 50 0 EIAARN Cc1noc(C)c1CCC(=O)Nc1cccc2c1ccn2CC(C)C ZINC000095478739 564141532 /nfs/dbraw/zinc/14/15/32/564141532.db2.gz APNUTEJJYPEIGR-UHFFFAOYSA-N 0 0 339.439 4.473 50 0 EIAARN Cc1cnccc1CC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000280623784 564141841 /nfs/dbraw/zinc/14/18/41/564141841.db2.gz HBJYOUUDYOVZSH-JCNLHEQBSA-N 0 0 348.368 4.014 50 0 EIAARN CC(C)c1ccc(NC(=O)CN2CCSc3ccccc32)cc1 ZINC000021020037 564141888 /nfs/dbraw/zinc/14/18/88/564141888.db2.gz VJLCLXKWQDWSFM-UHFFFAOYSA-N 0 0 326.465 4.361 50 0 EIAARN NC(=S)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000095929426 564141936 /nfs/dbraw/zinc/14/19/36/564141936.db2.gz BUSXQPGPBCDEQR-UHFFFAOYSA-N 0 0 347.749 4.202 50 0 EIAARN Cc1c(=O)[nH]c(SCc2ncoc2C(C)C)nc1-c1ccccc1 ZINC000095941632 564142036 /nfs/dbraw/zinc/14/20/36/564142036.db2.gz RGGNELJXHDOLAR-UHFFFAOYSA-N 0 0 341.436 4.149 50 0 EIAARN CN(Cc1nc(C2CC2)no1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000095948459 564142316 /nfs/dbraw/zinc/14/23/16/564142316.db2.gz ATAOVJDQTFMTHS-LJQANCHMSA-N 0 0 337.398 4.308 50 0 EIAARN COc1ccc2c(c1)CCN2C(=O)c1cnc(-c2ccsc2)s1 ZINC000095958521 564142648 /nfs/dbraw/zinc/14/26/48/564142648.db2.gz QKOVKCJSAFQBSH-UHFFFAOYSA-N 0 0 342.445 4.083 50 0 EIAARN Fc1cccc(C2(c3nc(-c4cccs4)no3)CCOCC2)c1 ZINC000095960027 564142687 /nfs/dbraw/zinc/14/26/87/564142687.db2.gz GIOSKFSFXASSBI-UHFFFAOYSA-N 0 0 330.384 4.034 50 0 EIAARN CCCOc1cc(C)ccc1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000095992555 564144157 /nfs/dbraw/zinc/14/41/57/564144157.db2.gz YZOBKGGIHKRQFX-UHFFFAOYSA-N 0 0 342.439 4.094 50 0 EIAARN Cc1ccc2cccc(C(=O)N3CCC[C@H](O)c4ccccc43)c2n1 ZINC000096012149 564144757 /nfs/dbraw/zinc/14/47/57/564144757.db2.gz PODHTISOUURFOA-IBGZPJMESA-N 0 0 332.403 4.017 50 0 EIAARN CC(=O)CCCCCCC(=O)O[C@H](C)c1cccc(NC(C)=O)c1 ZINC000096013414 564144795 /nfs/dbraw/zinc/14/47/95/564144795.db2.gz BBBNBDBORACNPZ-OAHLLOKOSA-N 0 0 333.428 4.179 50 0 EIAARN Cc1cccc([C@@H]2c3cccn3CCN2C(=O)c2ccc(F)c(C)c2)c1 ZINC000096203776 564146034 /nfs/dbraw/zinc/14/60/34/564146034.db2.gz FBZZBAGEOOSMOH-OAQYLSRUSA-N 0 0 348.421 4.489 50 0 EIAARN Cc1nc(C=CC(=O)Nc2n[nH]cc2-c2cccc(Cl)c2)cs1 ZINC000096256357 564146162 /nfs/dbraw/zinc/14/61/62/564146162.db2.gz ZNNFUCKEMRRMIW-WAYWQWQTSA-N 0 0 344.827 4.147 50 0 EIAARN COC(=O)c1cc2cc(NC(=O)/C=C\c3ccccc3F)ccc2o1 ZINC000096256132 564146166 /nfs/dbraw/zinc/14/61/66/564146166.db2.gz DTTRKYGLMNDISM-TWGQIWQCSA-N 0 0 339.322 4.010 50 0 EIAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccccc1F)N1CCCC1 ZINC000096276854 564146277 /nfs/dbraw/zinc/14/62/77/564146277.db2.gz CAXRTGAUOGYTCV-QGZVFWFLSA-N 0 0 336.410 4.451 50 0 EIAARN CC[C@H](C)[C@@H](NC(=O)C1CCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278066 564146306 /nfs/dbraw/zinc/14/63/06/564146306.db2.gz FZVCQJGJQQFPME-XHDPSFHLSA-N 0 0 347.846 4.394 50 0 EIAARN CC[C@H](C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)CC(C)C ZINC000096277285 564146309 /nfs/dbraw/zinc/14/63/09/564146309.db2.gz XMBCZYWGDYKWTR-INIZCTEOSA-N 0 0 343.471 4.261 50 0 EIAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)C(C)C)c2c1 ZINC000096278398 564146345 /nfs/dbraw/zinc/14/63/45/564146345.db2.gz RTVSAXXPKIEKEC-INIZCTEOSA-N 0 0 340.423 4.216 50 0 EIAARN O=C(/C=C\c1ccc(F)cc1)Nc1ccc(NC2CCOCC2)cc1 ZINC000096291768 564146430 /nfs/dbraw/zinc/14/64/30/564146430.db2.gz 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/nfs/dbraw/zinc/14/73/66/564147366.db2.gz ITCCFBMUQSSRJH-OAHLLOKOSA-N 0 0 347.422 4.072 50 0 EIAARN C[C@H](NC(=O)NCc1nccs1)c1cccc(Cl)c1Cl ZINC000096410464 564147616 /nfs/dbraw/zinc/14/76/16/564147616.db2.gz VXZDKWYCGSNRRU-QMMMGPOBSA-N 0 0 330.240 4.010 50 0 EIAARN CC(C)(C)c1nc(CC(=O)NC2(c3nccs3)CCCC2)cs1 ZINC000096407318 564147395 /nfs/dbraw/zinc/14/73/95/564147395.db2.gz OMYZMYRBYMTRNQ-UHFFFAOYSA-N 0 0 349.525 4.025 50 0 EIAARN CCO[C@@H](C)c1nc(CC(=O)NCc2c(C)cc(C)cc2C)cs1 ZINC000096409203 564147539 /nfs/dbraw/zinc/14/75/39/564147539.db2.gz RGQVFOOWMBLQRY-HNNXBMFYSA-N 0 0 346.496 4.025 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000096417939 564147835 /nfs/dbraw/zinc/14/78/35/564147835.db2.gz YYUYYXHJYNVSQH-GOSISDBHSA-N 0 0 340.427 4.045 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(OC)c(C)c1 ZINC000096417993 564147877 /nfs/dbraw/zinc/14/78/77/564147877.db2.gz CHRUXVYPTWJIAP-QGZVFWFLSA-N 0 0 327.428 4.404 50 0 EIAARN COC[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2SC(C)C)C1 ZINC000096418059 564147885 /nfs/dbraw/zinc/14/78/85/564147885.db2.gz SXFFTXCDXLODLO-LBPRGKRZSA-N 0 0 342.892 4.341 50 0 EIAARN CC[C@H](C(=O)NCCc1cscn1)c1cccc(C(F)(F)F)c1 ZINC000096460421 564148305 /nfs/dbraw/zinc/14/83/05/564148305.db2.gz VKMLLQRSUAYTLW-AWEZNQCLSA-N 0 0 342.386 4.014 50 0 EIAARN Cc1ccc(N(C(=O)CCc2nnc(C3CCCC3)o2)C(C)C)cc1 ZINC000096472334 564148342 /nfs/dbraw/zinc/14/83/42/564148342.db2.gz ZFHBKRDQZSTPDE-UHFFFAOYSA-N 0 0 341.455 4.410 50 0 EIAARN c1nc(COc2cccc(NCc3cccc4c[nH]nc43)c2)cs1 ZINC000096482842 564148615 /nfs/dbraw/zinc/14/86/15/564148615.db2.gz XIZNOUOXPUWZPP-UHFFFAOYSA-N 0 0 336.420 4.211 50 0 EIAARN O=C1OC(c2ccccc2Cl)=N/C1=C/C1=Cc2ccccc2OC1 ZINC000096935625 564149011 /nfs/dbraw/zinc/14/90/11/564149011.db2.gz LKANMRKQAAGEBN-MHWRWJLKSA-N 0 0 337.762 4.003 50 0 EIAARN O=C(CNc1ccc(-c2ccccc2)cc1)N1CCc2ccccc2C1 ZINC000096997199 564149038 /nfs/dbraw/zinc/14/90/38/564149038.db2.gz KSRLBCSFZYPWNT-UHFFFAOYSA-N 0 0 342.442 4.350 50 0 EIAARN C[C@H](OC(=O)[C@@H]1CC1(Cl)Cl)c1nc2ccccc2n1C(F)F ZINC000097010009 564149104 /nfs/dbraw/zinc/14/91/04/564149104.db2.gz LDFRMINIFRRKCQ-YUMQZZPRSA-N 0 0 349.164 4.229 50 0 EIAARN C[C@@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1CCOCC1 ZINC000097038086 564149218 /nfs/dbraw/zinc/14/92/18/564149218.db2.gz ZWDXJBOFXKSCOL-MRXNPFEDSA-N 0 0 345.487 4.322 50 0 EIAARN CCn1ccnc1CNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000097227730 564149593 /nfs/dbraw/zinc/14/95/93/564149593.db2.gz NZYPNFLLQJYDAX-IBGZPJMESA-N 0 0 341.842 4.250 50 0 EIAARN Cc1ccoc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000055647113 564150484 /nfs/dbraw/zinc/15/04/84/564150484.db2.gz NGAXOWFLMRKZQX-OAHLLOKOSA-N 0 0 336.391 4.053 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000028239158 564150806 /nfs/dbraw/zinc/15/08/06/564150806.db2.gz JORXXYODJAGYSQ-UHFFFAOYSA-N 0 0 335.407 4.058 50 0 EIAARN CCc1sc(NC(C)=O)nc1-c1ccc(Br)cc1 ZINC000028250358 564150888 /nfs/dbraw/zinc/15/08/88/564150888.db2.gz ZVJGDXQJVLVGAU-UHFFFAOYSA-N 0 0 325.231 4.093 50 0 EIAARN CCOC(=O)N[C@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000028294267 564150918 /nfs/dbraw/zinc/15/09/18/564150918.db2.gz UOXBSSRMDKVAAZ-MRXNPFEDSA-N 0 0 349.839 4.387 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000002621167 564151213 /nfs/dbraw/zinc/15/12/13/564151213.db2.gz GDWSYJVDUQWORB-UHFFFAOYSA-N 0 0 325.286 4.155 50 0 EIAARN CC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 ZINC000002623629 564151279 /nfs/dbraw/zinc/15/12/79/564151279.db2.gz CFXDIPARHZNWFM-UHFFFAOYSA-N 0 0 341.411 4.063 50 0 EIAARN O=C(OC1c2ccccc2-c2ccccc21)[C@@H]1COc2ccccc2O1 ZINC000002624841 564151303 /nfs/dbraw/zinc/15/13/03/564151303.db2.gz VMSNSMZSBHXOAS-FQEVSTJZSA-N 0 0 344.366 4.140 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Cl)c(Cl)c2)c1C ZINC000002628844 564151384 /nfs/dbraw/zinc/15/13/84/564151384.db2.gz NSMJLZZTGLLYGJ-UHFFFAOYSA-N 0 0 340.206 4.498 50 0 EIAARN C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000002632909 564151509 /nfs/dbraw/zinc/15/15/09/564151509.db2.gz MPONUORKLAZGEY-STQMWFEESA-N 0 0 349.352 4.451 50 0 EIAARN Cc1cc(OCc2nnc3n2-c2ccccc2SC3)ccc1Cl ZINC000002638032 564151589 /nfs/dbraw/zinc/15/15/89/564151589.db2.gz IYPQFSQKRJXOJO-UHFFFAOYSA-N 0 0 343.839 4.414 50 0 EIAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cc1F ZINC000056205750 564151669 /nfs/dbraw/zinc/15/16/69/564151669.db2.gz FMUUHOPACSDRMU-LLVKDONJSA-N 0 0 336.794 4.317 50 0 EIAARN CC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(C)cc1 ZINC000002644472 564151753 /nfs/dbraw/zinc/15/17/53/564151753.db2.gz MQILTGGCXFGBRD-UHFFFAOYSA-N 0 0 337.448 4.232 50 0 EIAARN CCOc1ccc(-n2c(SC)nnc2-c2cccc(C)c2)cc1 ZINC000002646799 564151796 /nfs/dbraw/zinc/15/17/96/564151796.db2.gz NQWPEGCKQOXMDW-UHFFFAOYSA-N 0 0 325.437 4.363 50 0 EIAARN COc1ccccc1CNC(=O)c1cccc(Oc2ccccc2)c1 ZINC000002645332 564151822 /nfs/dbraw/zinc/15/18/22/564151822.db2.gz KQFYVQXPIVXRRX-UHFFFAOYSA-N 0 0 333.387 4.418 50 0 EIAARN CCSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000002648824 564151873 /nfs/dbraw/zinc/15/18/73/564151873.db2.gz ZBJGRFQWSBMJNF-UHFFFAOYSA-N 0 0 327.428 4.439 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Cl)cc2Cl)c1C ZINC000002656506 564152014 /nfs/dbraw/zinc/15/20/14/564152014.db2.gz CTPFLNRNPZEXNJ-UHFFFAOYSA-N 0 0 340.206 4.498 50 0 EIAARN CCn1nc(C)c2c1nc(-c1ccc(OC)c(OC)c1)cc2C(F)F ZINC000002732622 564152320 /nfs/dbraw/zinc/15/23/20/564152320.db2.gz XJXZXBSFDXMHJS-UHFFFAOYSA-N 0 0 347.365 4.381 50 0 EIAARN CCCNC(=O)c1cccc(COc2ccccc2Br)c1 ZINC000002752951 564152449 /nfs/dbraw/zinc/15/24/49/564152449.db2.gz NHCMPUXSJWOVQZ-UHFFFAOYSA-N 0 0 348.240 4.168 50 0 EIAARN Cc1ccccc1Cn1cc(NC(=S)N[C@@H]2CCCC[C@@H]2C)cn1 ZINC000002799321 564152760 /nfs/dbraw/zinc/15/27/60/564152760.db2.gz DKHVMMHKFIWGCP-MAUKXSAKSA-N 0 0 342.512 4.105 50 0 EIAARN OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002876738 564152911 /nfs/dbraw/zinc/15/29/11/564152911.db2.gz ZGMMVVYGDFQTBB-UHFFFAOYSA-N 0 0 349.221 4.084 50 0 EIAARN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1c(F)cccc1F ZINC000057369067 564153783 /nfs/dbraw/zinc/15/37/83/564153783.db2.gz KVAAIDFALHRVAE-CYBMUJFWSA-N 0 0 347.361 4.165 50 0 EIAARN COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000057383353 564153854 /nfs/dbraw/zinc/15/38/54/564153854.db2.gz WYZSQUIERGHGGY-OAHLLOKOSA-N 0 0 334.419 4.138 50 0 EIAARN Cc1ccc(F)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000057412397 564154042 /nfs/dbraw/zinc/15/40/42/564154042.db2.gz KDMCRMVIIGFAKN-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CN(C)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 ZINC000057412237 564154096 /nfs/dbraw/zinc/15/40/96/564154096.db2.gz HYBZHABALHIIFI-UHFFFAOYSA-N 0 0 340.814 4.048 50 0 EIAARN COCCN(C(=S)Nc1cc(C)cc(C)c1)[C@H](C)c1cccnc1 ZINC000003027476 564154484 /nfs/dbraw/zinc/15/44/84/564154484.db2.gz XCLQSNQDICIZMF-MRXNPFEDSA-N 0 0 343.496 4.105 50 0 EIAARN O=C1N(c2ccccc2)c2ccc3ccccc3c2[C@]1(O)C(F)(F)F ZINC000003163919 564155522 /nfs/dbraw/zinc/15/55/22/564155522.db2.gz KDKRGFAUAWGRBG-GOSISDBHSA-N 0 0 343.304 4.268 50 0 EIAARN C[C@H](N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl ZINC000057816041 564155914 /nfs/dbraw/zinc/15/59/14/564155914.db2.gz JRBMEBKRDFUZIT-KXBFYZLASA-N 0 0 342.870 4.354 50 0 EIAARN COc1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000003209344 564155951 /nfs/dbraw/zinc/15/59/51/564155951.db2.gz MRYQZBYSRSHQLN-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN CC[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1C)c1ccccc1 ZINC000003217238 564156075 /nfs/dbraw/zinc/15/60/75/564156075.db2.gz MGSRUMKBLUDONI-INIZCTEOSA-N 0 0 345.826 4.324 50 0 EIAARN CC[C@H](C(=O)OCC(=O)N(c1ccccc1)C(C)C)c1ccccc1 ZINC000003225549 564156240 /nfs/dbraw/zinc/15/62/40/564156240.db2.gz QMIIDENLHDFQLE-IBGZPJMESA-N 0 0 339.435 4.165 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000003227971 564156266 /nfs/dbraw/zinc/15/62/66/564156266.db2.gz BONNFOBMTFYBCD-UHFFFAOYSA-N 0 0 344.219 4.159 50 0 EIAARN Cc1cc(NC(=S)NCCc2ccccc2)ccc1Br ZINC000003227936 564156283 /nfs/dbraw/zinc/15/62/83/564156283.db2.gz MBRPQFDJVQIZLS-UHFFFAOYSA-N 0 0 349.297 4.287 50 0 EIAARN COc1ccc(CN2C(=O)C(F)(F)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000003231187 564156343 /nfs/dbraw/zinc/15/63/43/564156343.db2.gz AOWKGNYZPOAYFH-HNNXBMFYSA-N 0 0 337.753 4.067 50 0 EIAARN Cc1ccsc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000003234959 564156367 /nfs/dbraw/zinc/15/63/67/564156367.db2.gz GJBBZODTDARGOO-UHFFFAOYSA-N 0 0 344.219 4.159 50 0 EIAARN CCOCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000003242322 564156500 /nfs/dbraw/zinc/15/65/00/564156500.db2.gz QWLSHESZPZZFBI-UHFFFAOYSA-N 0 0 332.252 4.365 50 0 EIAARN Cc1sc2nc(SC(F)F)n(-c3ccccc3)c(=O)c2c1C ZINC000003276799 564156866 /nfs/dbraw/zinc/15/68/66/564156866.db2.gz HDYRSBWOYFFXOU-UHFFFAOYSA-N 0 0 338.404 4.379 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc(OC(F)F)cc1 ZINC000003274880 564156877 /nfs/dbraw/zinc/15/68/77/564156877.db2.gz SZEGCUZOADMBFC-LLVKDONJSA-N 0 0 334.391 4.436 50 0 EIAARN Cc1ccc2c(CSc3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000003489425 564158402 /nfs/dbraw/zinc/15/84/02/564158402.db2.gz OMAGVWVVAOUPPQ-UHFFFAOYSA-N 0 0 340.400 4.165 50 0 EIAARN O=C(COc1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003526061 564158722 /nfs/dbraw/zinc/15/87/22/564158722.db2.gz NYLMZJJRTNVOAI-JOCHJYFZSA-N 0 0 346.382 4.233 50 0 EIAARN CC(C)(C)c1csc(NC(=O)c2ccc(OC(F)F)cc2)n1 ZINC000003528666 564158749 /nfs/dbraw/zinc/15/87/49/564158749.db2.gz OVASKKGYCVIBBQ-UHFFFAOYSA-N 0 0 326.368 4.294 50 0 EIAARN Cc1noc2nc(C)cc(C(=O)N(C)Cc3ccc4ccccc4c3)c12 ZINC000058406250 564159017 /nfs/dbraw/zinc/15/90/17/564159017.db2.gz NNGUQLRSENWQRD-UHFFFAOYSA-N 0 0 345.402 4.265 50 0 EIAARN O=C(CC(F)(F)F)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000163642009 564159110 /nfs/dbraw/zinc/15/91/10/564159110.db2.gz DNFOSAJCCKSAOG-UHFFFAOYSA-N 0 0 334.341 4.192 50 0 EIAARN COc1ccc(C2(NC(=O)Nc3ccccc3F)CCCC2)cc1 ZINC000058440419 564159148 /nfs/dbraw/zinc/15/91/48/564159148.db2.gz QREOIMPQMOIHMV-UHFFFAOYSA-N 0 0 328.387 4.425 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3ccnn3C(C)C)s2)o1 ZINC000031273978 564159263 /nfs/dbraw/zinc/15/92/63/564159263.db2.gz CQAUNSKOTORLTR-UHFFFAOYSA-N 0 0 330.413 4.050 50 0 EIAARN CNc1snc(C)c1C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000031405066 564159358 /nfs/dbraw/zinc/15/93/58/564159358.db2.gz CZVALVWJUSTYGB-LLVKDONJSA-N 0 0 325.437 4.137 50 0 EIAARN C[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1Cl ZINC000031486837 564159410 /nfs/dbraw/zinc/15/94/10/564159410.db2.gz XAJWOADCIGCSAM-GFCCVEGCSA-N 0 0 343.789 4.156 50 0 EIAARN COc1ccc(N2N=C(C)/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000003863697 564159526 /nfs/dbraw/zinc/15/95/26/564159526.db2.gz OVDGWFFWIBYSBZ-BOPFTXTBSA-N 0 0 326.783 4.155 50 0 EIAARN Cc1ccc2cc(C(=O)Nc3ccc(N4CCCC4)nc3)c(C)nc2c1 ZINC000031633774 564159594 /nfs/dbraw/zinc/15/95/94/564159594.db2.gz IXMSIMUQAFERIZ-UHFFFAOYSA-N 0 0 346.434 4.099 50 0 EIAARN Cc1cccnc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000031820987 564160001 /nfs/dbraw/zinc/16/00/01/564160001.db2.gz JSVMMENQEDHVNU-UHFFFAOYSA-N 0 0 340.386 4.253 50 0 EIAARN Cc1ccc([C@H](NC(=O)CSc2ccc(F)cc2)C2CC2)cc1 ZINC000031957646 564160275 /nfs/dbraw/zinc/16/02/75/564160275.db2.gz SGCTXIXPEOPRSJ-IBGZPJMESA-N 0 0 329.440 4.494 50 0 EIAARN Cc1nc(NC(=O)[C@@H]2Cc3ccccc3O2)sc1-c1ccccc1 ZINC000031967926 564160291 /nfs/dbraw/zinc/16/02/91/564160291.db2.gz CLUAXDVMMGZFGR-INIZCTEOSA-N 0 0 336.416 4.061 50 0 EIAARN Cc1sc2nc(Cl)n3nc(Cc4ccccc4)nc3c2c1C ZINC000032093020 564160695 /nfs/dbraw/zinc/16/06/95/564160695.db2.gz HMRFFRGVSNHIOA-UHFFFAOYSA-N 0 0 328.828 4.200 50 0 EIAARN O=C(NCc1cccnc1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000032152982 564160967 /nfs/dbraw/zinc/16/09/67/564160967.db2.gz ASLMWHIBBGGLFX-MGAZVUHYSA-N 0 0 346.474 4.236 50 0 EIAARN Cc1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)cs2)o1 ZINC000032326104 564161185 /nfs/dbraw/zinc/16/11/85/564161185.db2.gz LUONQQUROAJJNS-UHFFFAOYSA-N 0 0 339.376 4.341 50 0 EIAARN CC(=O)Nc1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 ZINC000032398344 564161332 /nfs/dbraw/zinc/16/13/32/564161332.db2.gz SESLVTZTZGRDRZ-GOSISDBHSA-N 0 0 342.464 4.368 50 0 EIAARN C[C@@H](NC(=S)NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000007981192 564161702 /nfs/dbraw/zinc/16/17/02/564161702.db2.gz DLVFVHNKEMSGIL-BEFAXECRSA-N 0 0 340.492 4.058 50 0 EIAARN c1cc2c(ncnc2Nc2ccc3c(c2)OC2(CCCC2)O3)s1 ZINC000007980076 564161726 /nfs/dbraw/zinc/16/17/26/564161726.db2.gz IXWIRYNYWXFQPT-UHFFFAOYSA-N 0 0 325.393 4.476 50 0 EIAARN Fc1ccc(Oc2ncnc3sccc32)c(Br)c1 ZINC000007983638 564161795 /nfs/dbraw/zinc/16/17/95/564161795.db2.gz OXWDASRESLSKLW-UHFFFAOYSA-N 0 0 325.162 4.385 50 0 EIAARN COc1cccc(Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)c1 ZINC000007987659 564161902 /nfs/dbraw/zinc/16/19/02/564161902.db2.gz ACVBHEXJCUOVBZ-UHFFFAOYSA-N 0 0 337.404 4.057 50 0 EIAARN O=C(Nc1nc2ccc(F)cc2s1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000007989327 564161927 /nfs/dbraw/zinc/16/19/27/564161927.db2.gz HDTJIAVVRNFQAF-NWDGAFQWSA-N 0 0 333.432 4.479 50 0 EIAARN Cc1cc2cc(C[N@@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])oc2cc1C ZINC000263464574 564162160 /nfs/dbraw/zinc/16/21/60/564162160.db2.gz CKIPSYKSFMODJM-QGTPRVQTSA-N 0 0 327.424 4.267 50 0 EIAARN O=C(CCSc1ccc(F)c(F)c1)N[C@@H]1CCOc2ccccc21 ZINC000008029516 564162262 /nfs/dbraw/zinc/16/22/62/564162262.db2.gz AOQOCBAVABIMMM-MRXNPFEDSA-N 0 0 349.402 4.087 50 0 EIAARN CCc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 ZINC000008076006 564162572 /nfs/dbraw/zinc/16/25/72/564162572.db2.gz VCWBQLOUQOYWPO-UHFFFAOYSA-N 0 0 327.767 4.261 50 0 EIAARN CC(C)c1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000008096280 564162652 /nfs/dbraw/zinc/16/26/52/564162652.db2.gz CIYMYSXQPZASFB-UHFFFAOYSA-N 0 0 336.435 4.118 50 0 EIAARN Cc1c2ccccc2oc1C(=O)N(C)CCOc1ccc(F)cc1 ZINC000008117252 564162790 /nfs/dbraw/zinc/16/27/90/564162790.db2.gz XSONLDUGURKASP-UHFFFAOYSA-N 0 0 327.355 4.031 50 0 EIAARN C[C@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000008130114 564162995 /nfs/dbraw/zinc/16/29/95/564162995.db2.gz URTDGGHPYHYPGP-JTQLQIEISA-N 0 0 334.807 4.308 50 0 EIAARN COc1ccc2c(CC(=O)N3CCC[C@H]3c3cccs3)coc2c1 ZINC000008131670 564163013 /nfs/dbraw/zinc/16/30/13/564163013.db2.gz VFNYEBBVTWFDPM-INIZCTEOSA-N 0 0 341.432 4.409 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)N[C@H](C)c1cccs1 ZINC000008132438 564163027 /nfs/dbraw/zinc/16/30/27/564163027.db2.gz XYTPFMZZLQRNSW-GFCCVEGCSA-N 0 0 345.493 4.087 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)N[C@@H](C)c1cccs1 ZINC000008132437 564163033 /nfs/dbraw/zinc/16/30/33/564163033.db2.gz XYTPFMZZLQRNSW-LBPRGKRZSA-N 0 0 345.493 4.087 50 0 EIAARN c1csc(-c2noc(CSc3ncnc4ccccc43)n2)c1 ZINC000008133451 564163078 /nfs/dbraw/zinc/16/30/78/564163078.db2.gz CKAQUPUMAWNWRJ-UHFFFAOYSA-N 0 0 326.406 4.034 50 0 EIAARN Cc1cccc(NC(=O)CN(C)Cc2ncc(-c3ccccc3)o2)c1C ZINC000008152717 564163224 /nfs/dbraw/zinc/16/32/24/564163224.db2.gz DHJLHTRWBGIQQH-UHFFFAOYSA-N 0 0 349.434 4.029 50 0 EIAARN CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(F)c(F)c2)cc1 ZINC000008176998 564163294 /nfs/dbraw/zinc/16/32/94/564163294.db2.gz KRRFWOBTTJTWSM-NSHDSACASA-N 0 0 337.391 4.483 50 0 EIAARN O=C1OC(c2cccs2)=N/C1=C\c1ccc(N2CCCCC2)s1 ZINC000008179557 564163381 /nfs/dbraw/zinc/16/33/81/564163381.db2.gz MDSZBDNJZLFRDO-QBFSEMIESA-N 0 0 344.461 4.144 50 0 EIAARN O=C(Nc1ccc(N2CCCCCC2)cc1)C1=Cc2ccccc2OC1 ZINC000008193439 564163472 /nfs/dbraw/zinc/16/34/72/564163472.db2.gz DOEKGHWYDNBZHI-UHFFFAOYSA-N 0 0 348.446 4.482 50 0 EIAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1OC ZINC000008231522 564163733 /nfs/dbraw/zinc/16/37/33/564163733.db2.gz BPJVZDDOXJVXMP-UHFFFAOYSA-N 0 0 348.402 4.382 50 0 EIAARN CCOc1ccccc1CSc1n[nH]c(-c2ccccc2F)n1 ZINC000008231573 564163743 /nfs/dbraw/zinc/16/37/43/564163743.db2.gz JNEAZXZQGRTCSY-UHFFFAOYSA-N 0 0 329.400 4.302 50 0 EIAARN COCc1c2ccccc2oc1C(=O)OCc1nc2ccccc2o1 ZINC000008269050 564163888 /nfs/dbraw/zinc/16/38/88/564163888.db2.gz IZFGOELFWKNRML-UHFFFAOYSA-N 0 0 337.331 4.077 50 0 EIAARN C[C@H]1Oc2c(cccc2C(=O)NCCc2c[nH]c3ccccc23)[C@@H]1C ZINC000008275922 564163937 /nfs/dbraw/zinc/16/39/37/564163937.db2.gz PEDBDRRKYBNSPG-ZIAGYGMSSA-N 0 0 334.419 4.025 50 0 EIAARN Cc1c(=O)c2cccc(C(=O)N[C@@H](C)C3CC3)c2oc1-c1ccccc1 ZINC000008327838 564164494 /nfs/dbraw/zinc/16/44/94/564164494.db2.gz YDGDLLRPILTZNN-AWEZNQCLSA-N 0 0 347.414 4.297 50 0 EIAARN COc1cccc(CNC(=O)c2sc(-c3cccs3)nc2C)c1 ZINC000008331743 564164544 /nfs/dbraw/zinc/16/45/44/564164544.db2.gz BIBMXGRCUNJSQL-UHFFFAOYSA-N 0 0 344.461 4.119 50 0 EIAARN Cc1ccc(C)c(OCCC(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000008343104 564164613 /nfs/dbraw/zinc/16/46/13/564164613.db2.gz SYFQYPGLXHQTIR-QGZVFWFLSA-N 0 0 341.476 4.426 50 0 EIAARN COc1ccc2c(c1)CCc1cc(C(=O)N[C@H](C)C(C)C)sc1-2 ZINC000008344613 564164659 /nfs/dbraw/zinc/16/46/59/564164659.db2.gz HRQJFHOLAFWALG-GFCCVEGCSA-N 0 0 329.465 4.297 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1ccc(C)cc1 ZINC000008345310 564164664 /nfs/dbraw/zinc/16/46/64/564164664.db2.gz WPHSPQAJBXSONF-UHFFFAOYSA-N 0 0 333.435 4.070 50 0 EIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(F)cc(F)c1 ZINC000008347018 564164688 /nfs/dbraw/zinc/16/46/88/564164688.db2.gz HATUOXJIMRQNFN-JTQLQIEISA-N 0 0 332.375 4.408 50 0 EIAARN O=C(NCCc1ccccc1F)c1csc(-c2ccc(F)cc2)n1 ZINC000008369543 564164737 /nfs/dbraw/zinc/16/47/37/564164737.db2.gz GFFQUCYPXLIWIG-UHFFFAOYSA-N 0 0 344.386 4.061 50 0 EIAARN CC[C@@H]([NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC000263578968 564164845 /nfs/dbraw/zinc/16/48/45/564164845.db2.gz UAMBJMPODORKPI-NOZJJQNGSA-N 0 0 338.860 4.286 50 0 EIAARN COc1ccc(C)cc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000008402185 564165135 /nfs/dbraw/zinc/16/51/35/564165135.db2.gz LUWAJENKNRSKFD-UHFFFAOYSA-N 0 0 344.461 4.370 50 0 EIAARN O=C(OCc1nc2ccccc2s1)c1cc2c(c(Cl)c1)OCO2 ZINC000008546731 564165640 /nfs/dbraw/zinc/16/56/40/564165640.db2.gz QAEBQHLSGGAFHK-UHFFFAOYSA-N 0 0 347.779 4.035 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1ccccc1Cl ZINC000008553783 564165654 /nfs/dbraw/zinc/16/56/54/564165654.db2.gz CUPABRGBBZZNLR-UHFFFAOYSA-N 0 0 343.839 4.461 50 0 EIAARN Cc1ccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000008603530 564166019 /nfs/dbraw/zinc/16/60/19/564166019.db2.gz ODDBLJYENUSBAP-UHFFFAOYSA-N 0 0 348.427 4.310 50 0 EIAARN CCc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CC[C@H](C)C2)cc1 ZINC000008614477 564166110 /nfs/dbraw/zinc/16/61/10/564166110.db2.gz UQDBASPCHRMJSM-HNNXBMFYSA-N 0 0 347.462 4.111 50 0 EIAARN COCCN(C(=S)Nc1cccc(C)c1)[C@@H](C)c1cccs1 ZINC000008683049 564166303 /nfs/dbraw/zinc/16/63/03/564166303.db2.gz LHFGLMFDEJGDHP-AWEZNQCLSA-N 0 0 334.510 4.463 50 0 EIAARN COc1cccc(-c2nc(CC(=O)Nc3ccc(C)cc3)cs2)c1 ZINC000008709095 564166583 /nfs/dbraw/zinc/16/65/83/564166583.db2.gz GHPDXRSEKPUAKC-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000008718971 564166869 /nfs/dbraw/zinc/16/68/69/564166869.db2.gz KCDHHPHKEPZFCF-GFCCVEGCSA-N 0 0 337.341 4.134 50 0 EIAARN CC(C)Nc1nnc(SCc2cc(-c3ccccc3)on2)s1 ZINC000008723977 564166961 /nfs/dbraw/zinc/16/69/61/564166961.db2.gz SFOFMZGODYGHDY-UHFFFAOYSA-N 0 0 332.454 4.306 50 0 EIAARN COc1cccc2sc(NC(=O)c3ccc(CSC)o3)nc21 ZINC000008724693 564166991 /nfs/dbraw/zinc/16/69/91/564166991.db2.gz GLNGYECXLPACRE-UHFFFAOYSA-N 0 0 334.422 4.013 50 0 EIAARN CN(Cc1cccc(Cl)c1Cl)Cc1nc(N)c2ccccc2n1 ZINC000008726030 564166998 /nfs/dbraw/zinc/16/69/98/564166998.db2.gz LEMTUVVFHIWMAQ-UHFFFAOYSA-N 0 0 347.249 4.151 50 0 EIAARN CC(C)Nc1nnc(SCc2coc(-c3cccs3)n2)s1 ZINC000008728871 564167053 /nfs/dbraw/zinc/16/70/53/564167053.db2.gz QRGGGBYVPDTRRZ-UHFFFAOYSA-N 0 0 338.483 4.367 50 0 EIAARN O=C(Nc1ccccc1C(=O)NC1CCCC1)c1cc2ccccc2o1 ZINC000008734576 564167118 /nfs/dbraw/zinc/16/71/18/564167118.db2.gz IBFXHHFEYMBTHB-UHFFFAOYSA-N 0 0 348.402 4.358 50 0 EIAARN CCOc1ccc(Oc2c(C)[nH]nc2-c2ccc(OC)cc2O)cc1 ZINC000008739968 564167147 /nfs/dbraw/zinc/16/71/47/564167147.db2.gz RMPWZRITMISCQL-UHFFFAOYSA-N 0 0 340.379 4.290 50 0 biogenic EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)NC(=S)Nc2ccc(Cl)cc2)C1(C)C ZINC000039931336 564167718 /nfs/dbraw/zinc/16/77/18/564167718.db2.gz DTPZUYKZRIGJEH-KGLIPLIRSA-N 0 0 336.888 4.391 50 0 EIAARN CN(C(=O)c1ccc(-c2ccccc2)n1C)c1ccc(F)c(F)c1 ZINC000172876455 564167910 /nfs/dbraw/zinc/16/79/10/564167910.db2.gz NJNRDLRPAOCGDU-UHFFFAOYSA-N 0 0 326.346 4.247 50 0 EIAARN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H]1c1ccsc1 ZINC000245224729 564168709 /nfs/dbraw/zinc/16/87/09/564168709.db2.gz CKXDBHNPQDYMHZ-ZBEGNZNMSA-N 0 0 336.407 4.190 50 0 EIAARN COc1cc(OC)c(OC)cc1C=NNc1ccc(C)c(Cl)c1 ZINC000245285976 564168969 /nfs/dbraw/zinc/16/89/69/564168969.db2.gz ZVXBMOOCLDJLRG-UHFFFAOYSA-N 0 0 334.803 4.120 50 0 EIAARN C[C@@H]1CCC[C@@H](N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)[C@H]1C ZINC000245377514 564169137 /nfs/dbraw/zinc/16/91/37/564169137.db2.gz LXKVABORPCYYLX-FHSNZYRGSA-N 0 0 333.431 4.359 50 0 EIAARN CC(C)CCC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000069416459 564169298 /nfs/dbraw/zinc/16/92/98/564169298.db2.gz NJJQSJVXTXYQJF-HNNXBMFYSA-N 0 0 345.418 4.018 50 0 EIAARN CSc1cccc(N(C)C(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000069458307 564169708 /nfs/dbraw/zinc/16/97/08/564169708.db2.gz XKXNAPPVSCOTBR-UHFFFAOYSA-N 0 0 335.432 4.142 50 0 EIAARN CCc1nc(CCNC(=O)c2cc(Cl)sc2Cl)cs1 ZINC000069485662 564169813 /nfs/dbraw/zinc/16/98/13/564169813.db2.gz FEHCLZOLVDTZQZ-UHFFFAOYSA-N 0 0 335.281 4.046 50 0 EIAARN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc(Cl)sc1Cl ZINC000069527909 564170175 /nfs/dbraw/zinc/17/01/75/564170175.db2.gz FPBIWNXRKMNURP-UHFFFAOYSA-N 0 0 339.207 4.092 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 ZINC000009137763 564170430 /nfs/dbraw/zinc/17/04/30/564170430.db2.gz ZKVNKIDLAARSGV-UHFFFAOYSA-N 0 0 336.435 4.183 50 0 EIAARN O=C(C[C@@H]1OCCc2ccsc21)N1CCC[C@H]1c1ccsc1 ZINC000069564728 564170496 /nfs/dbraw/zinc/17/04/96/564170496.db2.gz WBKFQBCPHUVFED-GJZGRUSLSA-N 0 0 333.478 4.177 50 0 EIAARN CCOC1CCN(C(=O)N[C@@H](C)c2oc3ccc(F)cc3c2C)CC1 ZINC000069571300 564170594 /nfs/dbraw/zinc/17/05/94/564170594.db2.gz RXTIVTMNHYKCPP-ZDUSSCGKSA-N 0 0 348.418 4.152 50 0 EIAARN Cc1cc(C(=O)Nc2c(C)cccc2OC(F)F)nn1C(C)(C)C ZINC000069615704 564170879 /nfs/dbraw/zinc/17/08/79/564170879.db2.gz XZRZCXKDPONLMR-UHFFFAOYSA-N 0 0 337.370 4.109 50 0 EIAARN CSc1ccc(Cl)c(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1 ZINC000069617219 564170884 /nfs/dbraw/zinc/17/08/84/564170884.db2.gz QKEKVYXBCKZQDJ-UHFFFAOYSA-N 0 0 344.827 4.099 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc(CNCc2csc(C(C)C)n2)c1 ZINC000069630537 564171094 /nfs/dbraw/zinc/17/10/94/564171094.db2.gz WLLRHHWCOFRNOT-AWEZNQCLSA-N 0 0 345.512 4.085 50 0 EIAARN C[C@H](NC(=O)/C=C/c1cccs1)c1nc(-c2cccnc2)cs1 ZINC000069654988 564171191 /nfs/dbraw/zinc/17/11/91/564171191.db2.gz AGXYWEGSPNUFQI-SYTKJHMZSA-N 0 0 341.461 4.157 50 0 EIAARN C[C@H](NC(=O)/C=C/c1cscn1)c1nc(-c2ccccc2)cs1 ZINC000069699031 564171545 /nfs/dbraw/zinc/17/15/45/564171545.db2.gz OCPXEDPXWLYCES-GUOLPTJISA-N 0 0 341.461 4.157 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccnc2)cs1 ZINC000069703642 564171625 /nfs/dbraw/zinc/17/16/25/564171625.db2.gz FLNSNHCLYGACBX-LLVKDONJSA-N 0 0 343.839 4.350 50 0 EIAARN CCc1ccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)o1 ZINC000069703026 564171635 /nfs/dbraw/zinc/17/16/35/564171635.db2.gz NIGFTZYDIYSPFE-UHFFFAOYSA-N 0 0 348.830 4.228 50 0 EIAARN CSc1nnc(CNC(C)(C)c2ccc(F)cc2Cl)s1 ZINC000069705441 564171678 /nfs/dbraw/zinc/17/16/78/564171678.db2.gz DTWIPNVYBQETCB-UHFFFAOYSA-N 0 0 331.869 4.077 50 0 EIAARN O=C(NCCSc1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000069741271 564171893 /nfs/dbraw/zinc/17/18/93/564171893.db2.gz GAEUXWWYUSBUNH-UHFFFAOYSA-N 0 0 342.247 4.221 50 0 EIAARN CCCCCC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000069742981 564171938 /nfs/dbraw/zinc/17/19/38/564171938.db2.gz XYYUHJQPXQVJQK-UHFFFAOYSA-N 0 0 343.496 4.491 50 0 EIAARN Cc1noc([C@@H](C)NC(=O)Nc2cccc(Oc3ccccc3)c2)n1 ZINC000069745035 564171958 /nfs/dbraw/zinc/17/19/58/564171958.db2.gz XCSFHCYKGCTCGD-GFCCVEGCSA-N 0 0 338.367 4.053 50 0 EIAARN CC(C)(C)OC(=O)Nc1cc(NC(=O)NCc2ccoc2)ccc1F ZINC000069845314 564172479 /nfs/dbraw/zinc/17/24/79/564172479.db2.gz HZIDYLQFBYSFQE-UHFFFAOYSA-N 0 0 349.362 4.087 50 0 EIAARN COc1ccc(C)cc1S(=O)(=O)Oc1cc(C)c(Cl)c(C)c1 ZINC000041097132 564173148 /nfs/dbraw/zinc/17/31/48/564173148.db2.gz GNYHFHUZPWNQRJ-UHFFFAOYSA-N 0 0 340.828 4.042 50 0 EIAARN Cc1cn2nc(N3CCC(CCc4ccc(C)cc4)CC3)sc2n1 ZINC000070039830 564173527 /nfs/dbraw/zinc/17/35/27/564173527.db2.gz AEBVIUGWRJLLHP-UHFFFAOYSA-N 0 0 340.496 4.257 50 0 EIAARN Clc1ccccc1Cc1nnc2sc(-c3ccsc3)nn12 ZINC000071280023 564174836 /nfs/dbraw/zinc/17/48/36/564174836.db2.gz ZCWHCIKYLCGHAP-UHFFFAOYSA-N 0 0 332.841 4.159 50 0 EIAARN O=C(COc1ccccc1F)N(Cc1ccsc1)Cc1ccco1 ZINC000042382008 564174982 /nfs/dbraw/zinc/17/49/82/564174982.db2.gz RNIUGXJUYHRORD-UHFFFAOYSA-N 0 0 345.395 4.088 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)O[C@H](c1ccccc1)c1ccccn1 ZINC000042622229 564175088 /nfs/dbraw/zinc/17/50/88/564175088.db2.gz DCHVQKBBTFDTNF-JOCHJYFZSA-N 0 0 342.398 4.438 50 0 EIAARN O=C(C1=Cc2ccccc2OC1)N(Cc1ccco1)c1ccccc1F ZINC000071801108 564175493 /nfs/dbraw/zinc/17/54/93/564175493.db2.gz XWKRACQPQSMINZ-UHFFFAOYSA-N 0 0 349.361 4.428 50 0 EIAARN O=C(Nc1ccccc1COc1ccccc1)[C@@H]1Cc2ccccc2O1 ZINC000071818531 564175645 /nfs/dbraw/zinc/17/56/45/564175645.db2.gz AMWLJTIEPNINKG-NRFANRHFSA-N 0 0 345.398 4.208 50 0 EIAARN CCCc1cc(N2CCC[C@@H]2c2ccc(C)c(C)c2)n2ncnc2n1 ZINC000071830249 564175719 /nfs/dbraw/zinc/17/57/19/564175719.db2.gz WNBWMOGNGYFVKK-GOSISDBHSA-N 0 0 335.455 4.035 50 0 EIAARN Cc1ccccc1NC(=O)Nc1ccc(OC[C@H]2CCOC2)cc1 ZINC000077178069 564176644 /nfs/dbraw/zinc/17/66/44/564176644.db2.gz VKPYJJLJACXYNI-HNNXBMFYSA-N 0 0 326.396 4.054 50 0 EIAARN C[C@H]1CN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)c2ccccc21 ZINC000077216074 564176663 /nfs/dbraw/zinc/17/66/63/564176663.db2.gz DPFNGJCMYDIVTG-ZDUSSCGKSA-N 0 0 335.432 4.299 50 0 EIAARN CSCCCCNC(=O)N(C)CCc1cccc2ccccc21 ZINC000077793100 564176872 /nfs/dbraw/zinc/17/68/72/564176872.db2.gz PHFPXQCVBYPUBB-UHFFFAOYSA-N 0 0 330.497 4.167 50 0 EIAARN Cc1cc(NC(=O)c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000032609935 564177426 /nfs/dbraw/zinc/17/74/26/564177426.db2.gz WCYOKQZYGIGOKA-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000000389986 568414619 /nfs/dbraw/zinc/41/46/19/568414619.db2.gz SZBYKITWBXUQDL-UHFFFAOYSA-N 0 0 345.398 4.487 50 0 EIAARN Cc1ccsc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000014910392 568418089 /nfs/dbraw/zinc/41/80/89/568418089.db2.gz IYYUSKHUBQZMOD-UHFFFAOYSA-N 0 0 325.437 4.385 50 0 EIAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)Nc1cccc(F)c1 ZINC000017071936 568423351 /nfs/dbraw/zinc/42/33/51/568423351.db2.gz QXBSMYXCMBHAFL-UHFFFAOYSA-N 0 0 344.777 4.368 50 0 EIAARN CC(=O)c1ccccc1NC(=O)C=Cc1cccc(Br)c1 ZINC000097676133 1021288057 /nfs/dbraw/zinc/28/80/57/1021288057.db2.gz OELRCVOUKAISCW-KTKRTIGZSA-N 0 0 344.208 4.304 50 0 EIAARN CCc1cnc(-c2cccc(-c3ccn(C[C@@H]4CCCCO4)n3)c2)nc1 ZINC000023339847 1021319613 /nfs/dbraw/zinc/31/96/13/1021319613.db2.gz BHKIJCXEDJPCLG-IBGZPJMESA-N 0 0 348.450 4.139 50 0 EIAARN Cc1nc([C@H](C)N(C)Cc2nc(-c3cccs3)no2)c(C)s1 ZINC000023338828 1021321652 /nfs/dbraw/zinc/32/16/52/1021321652.db2.gz MIFPXESWLUPLNI-VIFPVBQESA-N 0 0 334.470 4.064 50 0 EIAARN O=C(c1ccc(CSc2nc3ccccc3[nH]2)o1)C(F)(F)F ZINC000002873347 1033032997 /nfs/dbraw/zinc/03/29/97/1033032997.db2.gz LJIAJZCOCKLBGW-UHFFFAOYSA-N 0 0 326.299 4.193 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)C(Cl)(Cl)C(=O)c1ccccc1 ZINC000238854485 1033035701 /nfs/dbraw/zinc/03/57/01/1033035701.db2.gz NYVXFUCPSANXPE-UHFFFAOYSA-N 0 0 342.609 4.335 50 0 EIAARN CN(Cc1ccco1)C(=O)COc1ccc(Cl)c2ccccc12 ZINC000017791171 1022211086 /nfs/dbraw/zinc/21/10/86/1022211086.db2.gz NKKXZLNFVCERAQ-UHFFFAOYSA-N 0 0 329.783 4.124 50 0 EIAARN CCc1cnc(CCNC(=O)N2CCCC[C@@H]2c2ccc(C)o2)s1 ZINC000173386234 1022262681 /nfs/dbraw/zinc/26/26/81/1022262681.db2.gz FWNKBIRUJSJPKO-OAHLLOKOSA-N 0 0 347.484 4.086 50 0 EIAARN Cc1cccc2c(CCC(=O)Nc3cnn([C@@H](C)C4CC4)c3)c[nH]c21 ZINC000186356241 1022572509 /nfs/dbraw/zinc/57/25/09/1022572509.db2.gz LUKGMYRVWFTOSW-AWEZNQCLSA-N 0 0 336.439 4.215 50 0 EIAARN O=c1[nH]c(C=Cc2csc(-c3ccsc3)n2)nc2cnccc12 ZINC000255912897 1022668630 /nfs/dbraw/zinc/66/86/30/1022668630.db2.gz UVHPQSYVKPDHLK-UPHRSURJSA-N 0 0 338.417 4.086 50 0 EIAARN O=C(CCc1ccccc1)N1CC[C@H](CCOc2ccccc2F)C1 ZINC000257186944 1022695640 /nfs/dbraw/zinc/69/56/40/1022695640.db2.gz LAAUFKNCWMJFQO-GOSISDBHSA-N 0 0 341.426 4.076 50 0 EIAARN Cc1ccc(OCC[C@@H]2CCN(C(=O)c3ccccc3F)C2)cc1 ZINC000257187946 1022706339 /nfs/dbraw/zinc/70/63/39/1022706339.db2.gz MGYOQPAXFMYDTJ-INIZCTEOSA-N 0 0 327.399 4.065 50 0 EIAARN CC(C)C(=O)N1CC2(C[C@@H]1COCc1ccccc1)CCCCC2 ZINC000257190862 1022755303 /nfs/dbraw/zinc/75/53/03/1022755303.db2.gz NZMHEBOFVZZJMO-LJQANCHMSA-N 0 0 329.484 4.411 50 0 EIAARN CCCOc1ccccc1NCc1noc(-c2ccc(F)cc2F)n1 ZINC000187466012 1022872696 /nfs/dbraw/zinc/87/26/96/1022872696.db2.gz FOPYGFGVIRNXGG-UHFFFAOYSA-N 0 0 345.349 4.416 50 0 EIAARN O=C(Cc1ccccc1Cl)NC[C@H](c1ccsc1)c1ccco1 ZINC000675007844 1023310280 /nfs/dbraw/zinc/31/02/80/1023310280.db2.gz UNBGZEJTSFPGGX-OAHLLOKOSA-N 0 0 345.851 4.485 50 0 EIAARN Cc1ccc(C(=O)CSc2n[nH]c(C=Cc3cccs3)n2)s1 ZINC000014809608 1023430036 /nfs/dbraw/zinc/43/00/36/1023430036.db2.gz CKNGWORKQPTJPB-FNORWQNLSA-N 0 0 347.490 4.382 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc2c(n1)CCCC2 ZINC000329966231 1023610290 /nfs/dbraw/zinc/61/02/90/1023610290.db2.gz UUULRDHNPYLMBV-UHFFFAOYSA-N 0 0 338.382 4.084 50 0 EIAARN CNC(=O)c1ccc(C)c(N[C@@H]2CCC[C@H](c3ncccc3C)C2)c1 ZINC000331500034 1023666072 /nfs/dbraw/zinc/66/60/72/1023666072.db2.gz HFZBTDVBCIGLAS-FUHWJXTLSA-N 0 0 337.467 4.196 50 0 EIAARN Cc1c(NC(=O)c2cncc(OC(C)C)c2)onc1C1CCCCC1 ZINC000332718046 1023945100 /nfs/dbraw/zinc/94/51/00/1023945100.db2.gz WKKNVSVLTQRKEG-UHFFFAOYSA-N 0 0 343.427 4.465 50 0 EIAARN Cc1nsc(C)c1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000333964186 1023987173 /nfs/dbraw/zinc/98/71/73/1023987173.db2.gz OSZWJFDHDAFVES-HNNXBMFYSA-N 0 0 340.452 4.004 50 0 EIAARN Cc1nsc(N2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000334031417 1024003290 /nfs/dbraw/zinc/00/32/90/1024003290.db2.gz LJQTXNIZSYLNOA-ZDUSSCGKSA-N 0 0 333.848 4.108 50 0 EIAARN CC(C)[C@H](NCc1ccc(Br)o1)c1nc2ccccc2[nH]1 ZINC000236786977 1025194094 /nfs/dbraw/zinc/19/40/94/1025194094.db2.gz ZJCZGFHYZCFOBV-HNNXBMFYSA-N 0 0 348.244 4.405 50 0 EIAARN Cc1c(C(=O)N[C@H](C)c2cccc(F)c2F)cnn1C1CCCC1 ZINC000119452190 1026252971 /nfs/dbraw/zinc/25/29/71/1026252971.db2.gz MFTUWCHGILPQCS-LLVKDONJSA-N 0 0 333.382 4.076 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n[nH]1 ZINC000050896734 1026289963 /nfs/dbraw/zinc/28/99/63/1026289963.db2.gz KWTOKYBSNNUABZ-UHFFFAOYSA-N 0 0 346.312 4.051 50 0 EIAARN CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@H](C)c1cccc(O)c1 ZINC000058193430 1026334851 /nfs/dbraw/zinc/33/48/51/1026334851.db2.gz VMBXUXTWCWLRLW-CYBMUJFWSA-N 0 0 326.396 4.210 50 0 EIAARN c1ccc([Si](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1 ZINC000169816680 1029089539 /nfs/dbraw/zinc/08/95/39/1029089539.db2.gz JTTIGNIABDGPGQ-UHFFFAOYSA-N 0 0 342.558 4.491 50 0 EIAARN CN(Cc1cc2ccccc2o1)C(=O)c1scnc1C(C)(C)C ZINC000176947559 1030746458 /nfs/dbraw/zinc/74/64/58/1030746458.db2.gz OVBDOBQBLJLXFK-UHFFFAOYSA-N 0 0 328.437 4.459 50 0 EIAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cc(F)cc(F)c1 ZINC000095974989 1031116449 /nfs/dbraw/zinc/11/64/49/1031116449.db2.gz JKJSRGZGYHQZBG-VZUCSPMQSA-N 0 0 344.748 4.272 50 0 EIAARN CCc1oc2ccccc2c1CN(C)C(=O)C[C@H](O)c1ccccc1 ZINC000091031102 1031122081 /nfs/dbraw/zinc/12/20/81/1031122081.db2.gz YQMOMFSGSSCJLB-SFHVURJKSA-N 0 0 337.419 4.077 50 0 EIAARN CCCOc1ccccc1NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000177181182 1031398234 /nfs/dbraw/zinc/39/82/34/1031398234.db2.gz VGTZRKZABZJBQB-KRWDZBQOSA-N 0 0 346.452 4.142 50 0 EIAARN CC(C)(C)c1cnc(CNC(=O)N[C@@H]2CC(C)(C)c3ccccc32)o1 ZINC000151328521 1035709068 /nfs/dbraw/zinc/70/90/68/1035709068.db2.gz BEWPXLODUAUTLE-OAHLLOKOSA-N 0 0 341.455 4.194 50 0 EIAARN O=C(COc1ccc(F)cc1)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000008729333 1038831508 /nfs/dbraw/zinc/83/15/08/1038831508.db2.gz LNODTLSSBRFYDN-JXMROGBWSA-N 0 0 348.377 4.409 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1cccc(N=S(C)(C)=O)c1 ZINC000858675377 1039274368 /nfs/dbraw/zinc/27/43/68/1039274368.db2.gz UEJYEPYQROQRKP-UHFFFAOYSA-N 0 0 330.453 4.169 50 0 EIAARN CCC[C@@H](NC(=O)/C=C\c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000096858890 1039490426 /nfs/dbraw/zinc/49/04/26/1039490426.db2.gz UVOMUXWMUUXPKV-SIKDUDHDSA-N 0 0 337.419 4.129 50 0 EIAARN CCOc1c(Cl)cc(/C=C2/N=C(C(C)(C)C)OC2=O)cc1OC ZINC000096939749 1039855146 /nfs/dbraw/zinc/85/51/46/1039855146.db2.gz NPIPVQHMWJKFJC-XYOKQWHBSA-N 0 0 337.803 4.090 50 0 EIAARN CCc1ccc(NC(=O)NCc2cccn2Cc2ccccc2)cc1 ZINC000006917659 1039858785 /nfs/dbraw/zinc/85/87/85/1039858785.db2.gz GKHXJQGTLMEFRE-UHFFFAOYSA-N 0 0 333.435 4.421 50 0 EIAARN Cc1coc(/C=C/C(=O)Nc2ccccc2N(C)Cc2ccccc2)n1 ZINC000096012355 1040144026 /nfs/dbraw/zinc/14/40/26/1040144026.db2.gz VUZDQBZBFKIUFQ-OUKQBFOZSA-N 0 0 347.418 4.271 50 0 EIAARN O=C(CC/C=C/c1ccccc1)N1CCC[C@H]1c1noc(C2CC2)n1 ZINC000084515210 1041209083 /nfs/dbraw/zinc/20/90/83/1041209083.db2.gz IFKSUCLGYUSIHK-QVNOTHCHSA-N 0 0 337.423 4.104 50 0 EIAARN O=C(C1CCC(O)CC1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000526914956 1042384477 /nfs/dbraw/zinc/38/44/77/1042384477.db2.gz PKRWSAJKMUHGOB-HFVGEQFZSA-N 0 0 327.468 4.022 50 0 EIAARN CC(C)Oc1ccccc1NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000152173533 1042704085 /nfs/dbraw/zinc/70/40/85/1042704085.db2.gz WSLPCEFLXMOHPX-QGZVFWFLSA-N 0 0 346.452 4.141 50 0 EIAARN Brc1c(OCCCn2ccnc2)ccc2ccccc21 ZINC000032662710 1042752275 /nfs/dbraw/zinc/75/22/75/1042752275.db2.gz KYXSIKPMDOLPDG-UHFFFAOYSA-N 0 0 331.213 4.268 50 0 EIAARN CC(C)c1nn(C)cc1NC(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000606441165 1043067262 /nfs/dbraw/zinc/06/72/62/1043067262.db2.gz STXUVPZYKUDEST-CPFIRTDXSA-N 0 0 338.455 4.253 50 0 EIAARN O=C(Nc1nc2ccccc2n1C1CCCCC1)c1cncc(F)c1 ZINC000126896372 1043125499 /nfs/dbraw/zinc/12/54/99/1043125499.db2.gz OPJJWXQHVWIRDU-UHFFFAOYSA-N 0 0 338.386 4.328 50 0 EIAARN O=C(Nc1ccccc1Cl)N1CC[C@H](c2ccc3c(c2)CCO3)C1 ZINC000618256225 1043155429 /nfs/dbraw/zinc/15/54/29/1043155429.db2.gz OVXWSNPTVWWMAD-HNNXBMFYSA-N 0 0 342.826 4.296 50 0 EIAARN Cc1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2nccs2)cc1C ZINC000011935368 1043755814 /nfs/dbraw/zinc/75/58/14/1043755814.db2.gz HPHQZPUKILICHS-KRWDZBQOSA-N 0 0 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340.814 4.122 50 0 EIAARN O=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccccc2)CCC1 ZINC000052605713 214136446 /nfs/dbraw/zinc/13/64/46/214136446.db2.gz IXEKGWFQKSNWKU-UHFFFAOYSA-N 0 0 335.432 4.266 50 0 EIAARN c1c(CSc2nnc(N3CCCC3)s2)noc1-c1ccccc1 ZINC000052912727 214155418 /nfs/dbraw/zinc/15/54/18/214155418.db2.gz OVBVLAUSJDYHNS-UHFFFAOYSA-N 0 0 344.465 4.086 50 0 EIAARN CC(=O)N1N=C(c2cccs2)O[C@]1(C)C12CC3CC(CC(C3)C1)C2 ZINC000004722162 210259514 /nfs/dbraw/zinc/25/95/14/210259514.db2.gz LEDZFRIOMUROPE-DKENDCILSA-N 0 0 344.480 4.221 50 0 EIAARN C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000053232817 214171080 /nfs/dbraw/zinc/17/10/80/214171080.db2.gz SGTCXJJBBCETGM-JTQLQIEISA-N 0 0 333.844 4.243 50 0 EIAARN Cc1ccc(-c2csc(SCC(=O)Nc3ccccn3)n2)cc1 ZINC000004712013 210256840 /nfs/dbraw/zinc/25/68/40/210256840.db2.gz VFKXQCXORLLMBU-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN O=C1S[C@@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1 ZINC000004713545 210256899 /nfs/dbraw/zinc/25/68/99/210256899.db2.gz NWLNPRHSHQUXJD-QGZVFWFLSA-N 0 0 334.400 4.478 50 0 EIAARN O=C(Nc1ccc(Cl)c2ncccc12)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000097694858 219048414 /nfs/dbraw/zinc/04/84/14/219048414.db2.gz OEVWRKTZQKTVAK-BETUJISGSA-N 0 0 327.815 4.318 50 0 EIAARN CONC(=O)c1c2ccccc2nc2c1C[C@@H](C)C/C2=C\c1ccco1 ZINC000053720380 214195472 /nfs/dbraw/zinc/19/54/72/214195472.db2.gz JAVVRQBSVAHONH-REQDGWNSSA-N 0 0 348.402 4.242 50 0 EIAARN CC(C)[C@H](C)n1nccc1NC(=O)NCc1ccc(Cl)s1 ZINC000097713728 219050401 /nfs/dbraw/zinc/05/04/01/219050401.db2.gz DWUTXRNZZWPNTH-JTQLQIEISA-N 0 0 326.853 4.137 50 0 EIAARN Cc1oc2c(ccc3c2CN(C(C)C)CO3)c(=O)c1-c1ccccc1 ZINC000054313662 214230873 /nfs/dbraw/zinc/23/08/73/214230873.db2.gz UGHPQTDEWOQDGF-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN O=C(COc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000004699953 210252481 /nfs/dbraw/zinc/25/24/81/210252481.db2.gz TXABOXNAFDVSMJ-UHFFFAOYSA-N 0 0 329.705 4.376 50 0 EIAARN Cc1cnn([C@H](C)C2CC2)c1NC(=O)CSCc1ccccc1C ZINC000055035947 214264897 /nfs/dbraw/zinc/26/48/97/214264897.db2.gz XTGLBPDPFZQIQK-OAHLLOKOSA-N 0 0 343.496 4.343 50 0 EIAARN Cc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1C ZINC000004695013 210250601 /nfs/dbraw/zinc/25/06/01/210250601.db2.gz WPZDSKXEQWEKHA-UHFFFAOYSA-N 0 0 337.448 4.192 50 0 EIAARN Cc1c(NCc2cccnc2)cccc1C(=O)N(C)[C@H](C)c1ccco1 ZINC000055088853 214270528 /nfs/dbraw/zinc/27/05/28/214270528.db2.gz MIODOQXNBVJHGR-MRXNPFEDSA-N 0 0 349.434 4.428 50 0 EIAARN CCOc1ccc(CN(Cc2coc3ccccc3c2=O)C2CC2)cc1 ZINC000055088445 214270579 /nfs/dbraw/zinc/27/05/79/214270579.db2.gz QYACFSAJYJNIOG-UHFFFAOYSA-N 0 0 349.430 4.356 50 0 EIAARN CCc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)nc1 ZINC000055132550 214278086 /nfs/dbraw/zinc/27/80/86/214278086.db2.gz SEFPPZYGWVUARV-UHFFFAOYSA-N 0 0 335.426 4.381 50 0 EIAARN Cc1ccoc1C(=O)Nc1c(C)cnn1Cc1ccc(Cl)cc1 ZINC000055281452 214300014 /nfs/dbraw/zinc/30/00/14/214300014.db2.gz LZGANGVPZWQUSD-UHFFFAOYSA-N 0 0 329.787 4.047 50 0 EIAARN CCSc1cccc(-c2cc(C(=O)N3CCCCC3)ccn2)c1 ZINC000097773000 219055403 /nfs/dbraw/zinc/05/54/03/219055403.db2.gz QEUGFFSQXVRRCY-UHFFFAOYSA-N 0 0 326.465 4.487 50 0 EIAARN O=C(NCC1CCOCC1)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055309395 214305047 /nfs/dbraw/zinc/30/50/47/214305047.db2.gz DOXPYYPNOMSPCO-UHFFFAOYSA-N 0 0 343.854 4.087 50 0 EIAARN Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2c2cccnc2)c1C ZINC000055403952 214319538 /nfs/dbraw/zinc/31/95/38/214319538.db2.gz PMHPHPHUQQOJKB-IBGZPJMESA-N 0 0 338.451 4.139 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000055525343 214327821 /nfs/dbraw/zinc/32/78/21/214327821.db2.gz AQZPKEMPHCAXLQ-MRXNPFEDSA-N 0 0 346.858 4.111 50 0 EIAARN CC[C@H](C)N(Cc1ccncc1)C(=O)CCc1ccc(F)c(F)c1 ZINC000055568884 214330211 /nfs/dbraw/zinc/33/02/11/214330211.db2.gz JMVHFAAEUQCLGR-AWEZNQCLSA-N 0 0 332.394 4.120 50 0 EIAARN CCN(Cc1ccncc1)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000055575367 214330272 /nfs/dbraw/zinc/33/02/72/214330272.db2.gz RCFXUUYEDHYHHH-UHFFFAOYSA-N 0 0 332.403 4.117 50 0 EIAARN Cc1ccc(-c2cccc(CN3CCO[C@@H](c4cccnc4)C3)c2)o1 ZINC000097784985 219056920 /nfs/dbraw/zinc/05/69/20/219056920.db2.gz NMUKRAQSOWCZRZ-OAQYLSRUSA-N 0 0 334.419 4.224 50 0 EIAARN Cc1cccc(Nc2nc(C(=O)NCc3ccc(F)cc3)cs2)c1 ZINC000004687896 210247553 /nfs/dbraw/zinc/24/75/53/210247553.db2.gz BZRBYAMLVBTQAK-UHFFFAOYSA-N 0 0 341.411 4.264 50 0 EIAARN Cc1noc2ncc(C(=O)N[C@@H](C)c3ccccc3C(F)(F)F)cc12 ZINC000055671922 214338005 /nfs/dbraw/zinc/33/80/05/214338005.db2.gz RKOVNDQIMHPUNO-VIFPVBQESA-N 0 0 349.312 4.041 50 0 EIAARN COc1cccc(CC(=O)N2CCC[C@H]2c2ccccc2Cl)c1 ZINC000055778649 214341765 /nfs/dbraw/zinc/34/17/65/214341765.db2.gz CWKCMYQDFLWWEK-SFHVURJKSA-N 0 0 329.827 4.255 50 0 EIAARN COC(=O)N(C)c1ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000056449500 214376103 /nfs/dbraw/zinc/37/61/03/214376103.db2.gz DEGGYMYEVUKVGD-CVEARBPZSA-N 0 0 330.428 4.066 50 0 EIAARN O=C(Nc1ccncc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000056500544 214376795 /nfs/dbraw/zinc/37/67/95/214376795.db2.gz ITDXPSFPBGCWKX-GOSISDBHSA-N 0 0 335.432 4.323 50 0 EIAARN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(F)ccc1-c1ccccc1 ZINC000056655292 214383347 /nfs/dbraw/zinc/38/33/47/214383347.db2.gz CBNYKQYETYXWEO-UHFFFAOYSA-N 0 0 348.333 4.180 50 0 EIAARN CCN(Cc1ccco1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000056777211 214389260 /nfs/dbraw/zinc/38/92/60/214389260.db2.gz LDMCRJAHDODHRJ-UHFFFAOYSA-N 0 0 327.409 4.457 50 0 EIAARN Cc1nnc(-c2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)o1 ZINC000174367167 231190838 /nfs/dbraw/zinc/19/08/38/231190838.db2.gz QHQYLNWHEFFRIK-UHFFFAOYSA-N 0 0 345.761 4.019 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000057656146 214437869 /nfs/dbraw/zinc/43/78/69/214437869.db2.gz MPCBGTMBWOJPJB-UHFFFAOYSA-N 0 0 336.395 4.296 50 0 EIAARN COc1ccc(C)nc1NC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000174797623 231313592 /nfs/dbraw/zinc/31/35/92/231313592.db2.gz ODHHZYCVNKPCTH-UHFFFAOYSA-N 0 0 339.420 4.083 50 0 EIAARN CCOC(=O)CCCCCCNC(=O)N[C@H](c1ccccc1)C(C)C ZINC000058167251 214491450 /nfs/dbraw/zinc/49/14/50/214491450.db2.gz LRUVZKALABAWOL-IBGZPJMESA-N 0 0 348.487 4.197 50 0 EIAARN COc1ccc(Br)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000058174288 214493126 /nfs/dbraw/zinc/49/31/26/214493126.db2.gz CIIOOJSXBLKOLK-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN Cc1noc(C)c1CNc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000058202397 214502414 /nfs/dbraw/zinc/50/24/14/214502414.db2.gz DYGPPDVYIZPXTC-UHFFFAOYSA-N 0 0 347.418 4.106 50 0 EIAARN CCn1ccnc1-c1cccc(NC(=O)c2cn(C)c3ccccc23)c1 ZINC000130947951 529550111 /nfs/dbraw/zinc/55/01/11/529550111.db2.gz QJZUEVBGDAZOJT-UHFFFAOYSA-N 0 0 344.418 4.314 50 0 EIAARN COc1ccc2ccccc2c1[S@](=O)NCc1ccc(Cl)cc1 ZINC000004650754 210237126 /nfs/dbraw/zinc/23/71/26/210237126.db2.gz XFXZZIFHDSZDPJ-HSZRJFAPSA-N 0 0 345.851 4.314 50 0 EIAARN CC[C@@H](C)Sc1ccc(NC(=O)[C@H]2CCCN(C(C)=O)C2)c(C)c1 ZINC000058326057 214545114 /nfs/dbraw/zinc/54/51/14/214545114.db2.gz XFLKQYUVWWACSP-ZBFHGGJFSA-N 0 0 348.512 4.083 50 0 EIAARN Cc1cccc(OCCC(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000058357400 214560246 /nfs/dbraw/zinc/56/02/46/214560246.db2.gz BQXOQCUWYRFXAZ-QAPCUYQASA-N 0 0 327.424 4.139 50 0 EIAARN O=C1N[C@@H](c2csc(-c3ccsc3)n2)Nc2cc(Cl)ccc21 ZINC000058377939 214565978 /nfs/dbraw/zinc/56/59/78/214565978.db2.gz YOZRWTZELUTXFH-ZDUSSCGKSA-N 0 0 347.852 4.379 50 0 EIAARN N=c1oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000004637629 210235204 /nfs/dbraw/zinc/23/52/04/210235204.db2.gz LNXKMYOPPNYQCC-UHFFFAOYSA-N 0 0 333.174 4.471 50 0 EIAARN CCCCc1[nH]c(SCC(=O)N[C@H](C)c2ccccc2)nc1C ZINC000004632233 210234602 /nfs/dbraw/zinc/23/46/02/210234602.db2.gz HGXSOOMXYKFNDL-CYBMUJFWSA-N 0 0 331.485 4.030 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccccc2-n2cccn2)o1 ZINC000058391336 214568180 /nfs/dbraw/zinc/56/81/80/214568180.db2.gz YZVBERHWTYXGFI-IXFUNQINSA-N 0 0 333.391 4.241 50 0 EIAARN O=C(Nc1cccc2[nH]c(C(F)(F)F)nc21)c1ccc(Cl)cc1 ZINC000004625247 210233171 /nfs/dbraw/zinc/23/31/71/210233171.db2.gz IECOWZJRNDEAQQ-UHFFFAOYSA-N 0 0 339.704 4.487 50 0 EIAARN COc1cccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)c1 ZINC000004588449 210227364 /nfs/dbraw/zinc/22/73/64/210227364.db2.gz IISIBFKGPBWXOT-GDNBJRDFSA-N 0 0 347.292 4.059 50 0 EIAARN O=C1C[C@@H](c2cccnc2)c2cnn(Cc3ccccc3Cl)c2N1 ZINC000049548802 214017371 /nfs/dbraw/zinc/01/73/71/214017371.db2.gz FOTAILYGUFGQND-AWEZNQCLSA-N 0 0 338.798 4.103 50 0 EIAARN CCC[C@@H]1CCCN(C(=O)Nc2ccccc2CN(C)C(C)=O)CC1 ZINC000061750741 214676721 /nfs/dbraw/zinc/67/67/21/214676721.db2.gz UIKWDOJTKQIFRE-QGZVFWFLSA-N 0 0 345.487 4.099 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000004548644 210218737 /nfs/dbraw/zinc/21/87/37/210218737.db2.gz BHLVOLVQRCQTHW-IZZDOVSWSA-N 0 0 349.415 4.047 50 0 EIAARN COc1cccc(Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000098211294 219087517 /nfs/dbraw/zinc/08/75/17/219087517.db2.gz GHQUZLYPXYWIFB-UHFFFAOYSA-N 0 0 349.365 4.401 50 0 EIAARN O=C(Nc1nc2ccc(Br)cc2s1)NC1CCCC1 ZINC000062017446 214692924 /nfs/dbraw/zinc/69/29/24/214692924.db2.gz AIOHWVMUSNUUSM-UHFFFAOYSA-N 0 0 340.246 4.123 50 0 EIAARN CSc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 ZINC000004517638 210211217 /nfs/dbraw/zinc/21/12/17/210211217.db2.gz RPVTXKJGSSSJEB-UHFFFAOYSA-N 0 0 339.420 4.328 50 0 EIAARN CC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000004513070 210210466 /nfs/dbraw/zinc/21/04/66/210210466.db2.gz WNLZNTQZHUREFY-UHFFFAOYSA-N 0 0 333.819 4.071 50 0 EIAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)[C@H]4CCCO4)c3)nc2c1 ZINC000004512106 210209939 /nfs/dbraw/zinc/20/99/39/210209939.db2.gz XQDIMWBSOSNHMU-GOSISDBHSA-N 0 0 336.391 4.229 50 0 EIAARN COc1ccc(/C=C/C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000004511396 210209190 /nfs/dbraw/zinc/20/91/90/210209190.db2.gz FRVGYVQXKIAWLA-PWFSRHFBSA-N 0 0 339.778 4.358 50 0 EIAARN CCCCc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)O2)cc1 ZINC000004510987 210208705 /nfs/dbraw/zinc/20/87/05/210208705.db2.gz YTLPCQGKSXLGLZ-JXAWBTAJSA-N 0 0 335.403 4.382 50 0 EIAARN CSc1nsc(SCC(=O)Nc2cccc3ccccc32)n1 ZINC000004502725 210206561 /nfs/dbraw/zinc/20/65/61/210206561.db2.gz FOQSSEINWCESNM-UHFFFAOYSA-N 0 0 347.490 4.144 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000004502076 210206615 /nfs/dbraw/zinc/20/66/15/210206615.db2.gz DEQXYVOWKJDFEH-UHFFFAOYSA-N 0 0 347.212 4.050 50 0 EIAARN CSc1nnc(C)c(C=CNc2ccc(Cl)c(Cl)c2)n1 ZINC000100323001 219096982 /nfs/dbraw/zinc/09/69/82/219096982.db2.gz WHEXCLVRAWQHIT-AATRIKPKSA-N 0 0 327.240 4.292 50 0 EIAARN Cc1cccc2sc(NC(=O)CSc3ccc(F)cc3)nc21 ZINC000004496712 210203996 /nfs/dbraw/zinc/20/39/96/210203996.db2.gz IQUAHJKZDLAERC-UHFFFAOYSA-N 0 0 332.425 4.475 50 0 EIAARN O=C(CCSc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 ZINC000004496590 210203830 /nfs/dbraw/zinc/20/38/30/210203830.db2.gz RMYDQLWDZUKYOE-UHFFFAOYSA-N 0 0 338.885 4.406 50 0 EIAARN Cc1ccc(SCCC(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000004496549 210203143 /nfs/dbraw/zinc/20/31/43/210203143.db2.gz GBXRVARSWVHHLT-UHFFFAOYSA-N 0 0 345.449 4.227 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1F)CC(=O)N2 ZINC000004488938 210202343 /nfs/dbraw/zinc/20/23/43/210202343.db2.gz QSRDZEHTBMTLKG-ZDUSSCGKSA-N 0 0 329.371 4.097 50 0 EIAARN CC1CCC(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000004484963 210199433 /nfs/dbraw/zinc/19/94/33/210199433.db2.gz LZAFJYCQHBNFBQ-UHFFFAOYSA-N 0 0 337.876 4.003 50 0 EIAARN O=C(/N=c1\sc2ccccc2n1-c1ccccc1)c1ccccc1 ZINC000100529790 219100941 /nfs/dbraw/zinc/10/09/41/219100941.db2.gz AXNDLMGPUOVXDU-MRCUWXFGSA-N 0 0 330.412 4.433 50 0 EIAARN CCOc1ccc([C@H]2C=C(c3ccc(C)cc3)N=C3N=NNN32)cc1 ZINC000100536596 219101398 /nfs/dbraw/zinc/10/13/98/219101398.db2.gz PSFHJIXOWIAKGG-GOSISDBHSA-N 0 0 333.395 4.033 50 0 EIAARN O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000100583410 219101789 /nfs/dbraw/zinc/10/17/89/219101789.db2.gz ZMOJBMXRDLNHAM-LBPRGKRZSA-N 0 0 334.202 4.116 50 0 EIAARN CSc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 ZINC000004472433 210197249 /nfs/dbraw/zinc/19/72/49/210197249.db2.gz BXLUZKXGBSKTQY-VBKFSLOCSA-N 0 0 346.521 4.141 50 0 EIAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(CC)cc1 ZINC000064438958 214784923 /nfs/dbraw/zinc/78/49/23/214784923.db2.gz VBAFSPRXBNPASP-UHFFFAOYSA-N 0 0 349.434 4.460 50 0 EIAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)c1 ZINC000004451622 210193919 /nfs/dbraw/zinc/19/39/19/210193919.db2.gz CJZKZPCDYJENAU-LPHOPBHVSA-N 0 0 333.416 4.385 50 0 EIAARN COc1cccc(NC(=O)Nc2nnc(-c3ccc(C)cc3)s2)c1 ZINC000004456247 210193502 /nfs/dbraw/zinc/19/35/02/210193502.db2.gz TXIQWIRHPVHOEH-UHFFFAOYSA-N 0 0 340.408 4.166 50 0 EIAARN Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccc(C)c(C)c1)=N2 ZINC000100716732 219105240 /nfs/dbraw/zinc/10/52/40/219105240.db2.gz NVXFLCFWLKSQME-LJQANCHMSA-N 0 0 334.398 4.398 50 0 EIAARN N=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccccc1 ZINC000004427988 210191933 /nfs/dbraw/zinc/19/19/33/210191933.db2.gz SCHRQZXONBCTSH-UHFFFAOYSA-N 0 0 333.174 4.471 50 0 EIAARN C=C=Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000004426948 210191843 /nfs/dbraw/zinc/19/18/43/210191843.db2.gz BECNZLSJJFKXMU-QGZVFWFLSA-N 0 0 343.430 4.375 50 0 EIAARN C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000100772612 219106531 /nfs/dbraw/zinc/10/65/31/219106531.db2.gz TWERYHRCEGDWKB-WBMJQRKESA-N 0 0 347.336 4.389 50 0 EIAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1cccc3ccccc31)n2C ZINC000100811993 219108278 /nfs/dbraw/zinc/10/82/78/219108278.db2.gz GYXHHQWHWGPSPM-QZQOTICOSA-N 0 0 332.428 4.443 50 0 EIAARN COc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)c(OC)c1 ZINC000064667102 214799014 /nfs/dbraw/zinc/79/90/14/214799014.db2.gz GXIUUPXHMPYZMB-KRWDZBQOSA-N 0 0 330.428 4.152 50 0 EIAARN Cc1cc(C)cc(-n2ccn3cc(-c4cccc(Cl)c4)nc3c2=O)c1 ZINC000064675336 214800294 /nfs/dbraw/zinc/80/02/94/214800294.db2.gz NFSIKLADACHJRS-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN CCc1nc(-c2ccc(C(=O)NCc3ccc(C)o3)cc2)cs1 ZINC000064677505 214800516 /nfs/dbraw/zinc/80/05/16/214800516.db2.gz OJTDINCPVOONTA-UHFFFAOYSA-N 0 0 326.421 4.204 50 0 EIAARN CC(C)c1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2CCO)cc1 ZINC000004389073 210186246 /nfs/dbraw/zinc/18/62/46/210186246.db2.gz OVCZOLKPFIIYMW-UNMCSNQZSA-N 0 0 334.463 4.126 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000004385036 210184352 /nfs/dbraw/zinc/18/43/52/210184352.db2.gz SISXMXSDJSQZBR-ZDUSSCGKSA-N 0 0 339.826 4.230 50 0 EIAARN CCCn1nnc2cc(C(=O)Nc3cccc(Cl)c3C)ccc21 ZINC000064818589 214806209 /nfs/dbraw/zinc/80/62/09/214806209.db2.gz OTEQJUDPNZOZMW-UHFFFAOYSA-N 0 0 328.803 4.055 50 0 EIAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1 ZINC000049005517 213976209 /nfs/dbraw/zinc/97/62/09/213976209.db2.gz XUCNCIFVGQRZDM-UHFFFAOYSA-N 0 0 334.423 4.164 50 0 EIAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccccc1 ZINC000004358649 210178781 /nfs/dbraw/zinc/17/87/81/210178781.db2.gz IXLPYSDBWHVBHX-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2cc(CC)no2)cc1 ZINC000064984986 214820636 /nfs/dbraw/zinc/82/06/36/214820636.db2.gz IGBNVZNXHIFSKX-INIZCTEOSA-N 0 0 329.400 4.005 50 0 EIAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc(C)c2C)cc1 ZINC000065084286 214826665 /nfs/dbraw/zinc/82/66/65/214826665.db2.gz ZUMGPVGKKDJWBG-UHFFFAOYSA-N 0 0 346.430 4.283 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)C(=O)c1cccn1Cc1ccccc1 ZINC000065084087 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Cc1sc(-c2ccsc2)nc1-c1ccc2c(c1)NC(=O)CO2 ZINC000048252611 213904109 /nfs/dbraw/zinc/90/41/09/213904109.db2.gz PVAJJFLNXAGSQU-UHFFFAOYSA-N 0 0 328.418 4.178 50 0 EIAARN CSc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000065365271 214876329 /nfs/dbraw/zinc/87/63/29/214876329.db2.gz XGLAPSBVUXACDC-QGZVFWFLSA-N 0 0 349.459 4.377 50 0 EIAARN Cc1cc(C)n(CCn2cnc(-c3ccccc3)c2-c2ccco2)n1 ZINC000065385809 214883690 /nfs/dbraw/zinc/88/36/90/214883690.db2.gz PAEIUECFDLCYNK-UHFFFAOYSA-N 0 0 332.407 4.324 50 0 EIAARN Cn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1cccc(Cl)c1Cl ZINC000065406530 214899028 /nfs/dbraw/zinc/89/90/28/214899028.db2.gz NATKKJYLNLXCII-JTQLQIEISA-N 0 0 336.222 4.078 50 0 EIAARN CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)c2cccs2)cc1 ZINC000048064882 213884796 /nfs/dbraw/zinc/88/47/96/213884796.db2.gz LKQJHYYZPVEYSS-RUNBWSAHSA-N 0 0 344.436 4.207 50 0 EIAARN Cc1ccc(-c2nsc(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000004167324 210139054 /nfs/dbraw/zinc/13/90/54/210139054.db2.gz ZGCZGTWJKDDLCE-UHFFFAOYSA-N 0 0 341.461 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O=C(Cc1ccccc1)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000003906434 210090519 /nfs/dbraw/zinc/09/05/19/210090519.db2.gz AINQBLWGUPFTJA-UHFFFAOYSA-N 0 0 345.377 4.322 50 0 EIAARN CC[C@H]1CCCCN1C(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000003906343 210090286 /nfs/dbraw/zinc/09/02/86/210090286.db2.gz LNVKFVBYCGSXQU-LBPRGKRZSA-N 0 0 341.432 4.412 50 0 EIAARN CCCCCc1ccc(OC(=O)c2cccc(C(=O)OCC)n2)cc1 ZINC000003898301 210087778 /nfs/dbraw/zinc/08/77/78/210087778.db2.gz DABWUDPOHZCULB-UHFFFAOYSA-N 0 0 341.407 4.210 50 0 EIAARN Cc1ccc(Nc2c(=O)c(=O)c2-c2ccc(Cl)cc2)cc1Cl ZINC000102081755 219185177 /nfs/dbraw/zinc/18/51/77/219185177.db2.gz GAIWPBFMYNTIRX-UHFFFAOYSA-N 0 0 332.186 4.308 50 0 EIAARN CC(C)c1noc([C@@H](C)Sc2nnc(Cc3cccs3)o2)n1 ZINC000066262073 215029644 /nfs/dbraw/zinc/02/96/44/215029644.db2.gz OGECZSRILRUKEI-SECBINFHSA-N 0 0 336.442 4.082 50 0 EIAARN CCc1cccc2c(C3CCN(C(=O)c4ncoc4C)CC3)c[nH]c21 ZINC000102337095 219195472 /nfs/dbraw/zinc/19/54/72/219195472.db2.gz LLFIYIUVVVQXPM-UHFFFAOYSA-N 0 0 337.423 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/nfs/dbraw/zinc/38/33/78/219383378.db2.gz HAYUKTCGQBAVLL-HNNXBMFYSA-N 0 0 345.447 4.035 50 0 EIAARN CS(=O)(=O)c1cc(C(=O)OC2CCCCCCC2)ccc1Cl ZINC000069197195 215368769 /nfs/dbraw/zinc/36/87/69/215368769.db2.gz VENPUXIIDXWJAF-UHFFFAOYSA-N 0 0 344.860 4.013 50 0 EIAARN CCOc1ccc(-c2nc(C(=O)Nc3cnccc3C)cs2)cc1 ZINC000104453844 219386743 /nfs/dbraw/zinc/38/67/43/219386743.db2.gz VTPJPUJISGGIOC-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN Cc1ccccc1N(C(=O)[C@H]1CCOC1)c1nc2ccccc2s1 ZINC000069315568 215376809 /nfs/dbraw/zinc/37/68/09/215376809.db2.gz MCIBSOKJWLWPDO-AWEZNQCLSA-N 0 0 338.432 4.306 50 0 EIAARN Cc1csc(-c2ccc(C(=O)N(C)CCC(F)(F)F)cc2)n1 ZINC000069347875 215381506 /nfs/dbraw/zinc/38/15/06/215381506.db2.gz MCTVJOORLIEXDU-UHFFFAOYSA-N 0 0 328.359 4.143 50 0 EIAARN Cc1noc(C)c1CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000069348738 215382656 /nfs/dbraw/zinc/38/26/56/215382656.db2.gz OOZUPWGHWSLZIC-QGZVFWFLSA-N 0 0 338.411 4.069 50 0 EIAARN Cc1noc(C)c1CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000069348739 215382726 /nfs/dbraw/zinc/38/27/26/215382726.db2.gz OOZUPWGHWSLZIC-KRWDZBQOSA-N 0 0 338.411 4.069 50 0 EIAARN Cc1cc(C)cc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000001904915 209803247 /nfs/dbraw/zinc/80/32/47/209803247.db2.gz OKTFFXLPWWUVRR-UHFFFAOYSA-N 0 0 325.452 4.410 50 0 EIAARN CN(Cc1cscn1)C(=O)c1ccccc1N(C)c1ccccc1 ZINC000069351445 215387108 /nfs/dbraw/zinc/38/71/08/215387108.db2.gz PKWWUVVJPGSRNS-UHFFFAOYSA-N 0 0 337.448 4.183 50 0 EIAARN COc1ccc(C2=CCN(C(=O)CCc3ccsc3)CC2)cc1 ZINC000040542370 213344308 /nfs/dbraw/zinc/34/43/08/213344308.db2.gz YAAFHYFEUWDZIO-UHFFFAOYSA-N 0 0 327.449 4.005 50 0 EIAARN Cc1noc([C@@H](C)NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000069379626 215394095 /nfs/dbraw/zinc/39/40/95/215394095.db2.gz OBWVEQHZWGNUIR-GFCCVEGCSA-N 0 0 338.367 4.053 50 0 EIAARN CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000040516130 213331177 /nfs/dbraw/zinc/33/11/77/213331177.db2.gz LVUAHGIIUQFKDF-ZDUSSCGKSA-N 0 0 347.484 4.115 50 0 EIAARN CCn1nc(-c2ccccc2OC)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000040427839 213302938 /nfs/dbraw/zinc/30/29/38/213302938.db2.gz HPEIXQDHNRGLRG-OAHLLOKOSA-N 0 0 349.434 4.070 50 0 EIAARN Cc1ccc2c(ccn2CCC(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000040312640 213291432 /nfs/dbraw/zinc/29/14/32/213291432.db2.gz QTBIJJZDMLBAII-UHFFFAOYSA-N 0 0 345.446 4.180 50 0 biogenic EIAARN C[C@@H](c1ccccn1)N(C(=O)c1cnc(-c2ccco2)s1)C1CC1 ZINC000069529069 215460010 /nfs/dbraw/zinc/46/00/10/215460010.db2.gz YBOQVCJSTHSCFN-LBPRGKRZSA-N 0 0 339.420 4.164 50 0 EIAARN Cc1ccccc1C[C@@H](C)NC(=O)c1cc2ccc(F)cc2nc1C ZINC000040155938 213275211 /nfs/dbraw/zinc/27/52/11/213275211.db2.gz QHXJRIYWHQCTMU-CQSZACIVSA-N 0 0 336.410 4.352 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1 ZINC000040150638 213273778 /nfs/dbraw/zinc/27/37/78/213273778.db2.gz CJMIWSMWXJFPOV-UHFFFAOYSA-N 0 0 330.815 4.039 50 0 EIAARN COc1ccccc1CNC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000040150028 213273581 /nfs/dbraw/zinc/27/35/81/213273581.db2.gz SVYQJMYLJSCXGD-MRXNPFEDSA-N 0 0 332.469 4.343 50 0 EIAARN COc1ncccc1NC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000040151172 213273199 /nfs/dbraw/zinc/27/31/99/213273199.db2.gz OKKPQPKEOJRARN-HNNXBMFYSA-N 0 0 331.391 4.138 50 0 EIAARN Cc1c(C(=O)N[C@@H]2CCSc3ccccc32)oc2c1C(=O)CCC2 ZINC000040131088 213270215 /nfs/dbraw/zinc/27/02/15/213270215.db2.gz PRACBPGFAWORQZ-CYBMUJFWSA-N 0 0 341.432 4.074 50 0 EIAARN CSc1ccc([C@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 ZINC000040133762 213270221 /nfs/dbraw/zinc/27/02/21/213270221.db2.gz FVKXVGZBPMCUDF-LBPRGKRZSA-N 0 0 343.448 4.320 50 0 EIAARN O=C(CCCCc1ccc(Br)cc1)Nc1nccs1 ZINC000040128184 213269850 /nfs/dbraw/zinc/26/98/50/213269850.db2.gz BYCSBEQYDHSVOT-UHFFFAOYSA-N 0 0 339.258 4.257 50 0 EIAARN CCC[C@H](C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC000040090350 213261996 /nfs/dbraw/zinc/26/19/96/213261996.db2.gz IANUFAUTXFFNAQ-AWEZNQCLSA-N 0 0 328.412 4.044 50 0 EIAARN CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2C)C1 ZINC000040103633 213264973 /nfs/dbraw/zinc/26/49/73/213264973.db2.gz NZQYOUUPAWBYSU-GFCCVEGCSA-N 0 0 325.250 4.411 50 0 EIAARN Cc1nc2ccc(NC(=O)N(C)CCOc3ccccc3)cc2s1 ZINC000040103268 213264608 /nfs/dbraw/zinc/26/46/08/213264608.db2.gz DGYMZWWFWOEALV-UHFFFAOYSA-N 0 0 341.436 4.147 50 0 EIAARN COc1cc(OC)c(NC(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000040103518 213264657 /nfs/dbraw/zinc/26/46/57/213264657.db2.gz KCAPNFMRTRNFGS-NSHDSACASA-N 0 0 334.803 4.240 50 0 EIAARN CCOc1ncccc1CNC(=O)Nc1cccc(Cl)c1Cl ZINC000040097540 213263883 /nfs/dbraw/zinc/26/38/83/213263883.db2.gz VPCLWVQMCKMVPQ-UHFFFAOYSA-N 0 0 340.210 4.109 50 0 EIAARN C[C@H](CNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000040096760 213263542 /nfs/dbraw/zinc/26/35/42/213263542.db2.gz SIEPRURZIJKCAP-MRVPVSSYSA-N 0 0 344.283 4.307 50 0 EIAARN CCOc1ccc(NC(=O)N(C)Cc2ccc(SC)cc2)cc1 ZINC000040095573 213263619 /nfs/dbraw/zinc/26/36/19/213263619.db2.gz YWWXGUPKSAMUQQ-UHFFFAOYSA-N 0 0 330.453 4.471 50 0 EIAARN O=C(NCCc1ccccc1F)Nc1ccccc1C(F)(F)F ZINC000040095996 213263523 /nfs/dbraw/zinc/26/35/23/213263523.db2.gz JNRRANGDBZLGQC-UHFFFAOYSA-N 0 0 326.293 4.209 50 0 EIAARN C[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1ccc(F)c(F)c1 ZINC000040097379 213263492 /nfs/dbraw/zinc/26/34/92/213263492.db2.gz ITQBZFGIYGJRJX-SSDOTTSWSA-N 0 0 330.256 4.265 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)NCCCCOc1ccccc1 ZINC000040093841 213262934 /nfs/dbraw/zinc/26/29/34/213262934.db2.gz IWXMVHLENGHPFO-UHFFFAOYSA-N 0 0 332.469 4.164 50 0 EIAARN CCn1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cn1 ZINC000040087437 213260135 /nfs/dbraw/zinc/26/01/35/213260135.db2.gz JIRFKKFJUSRYPT-UHFFFAOYSA-N 0 0 349.312 4.434 50 0 EIAARN C[C@H](Cc1ccco1)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000040074722 213258790 /nfs/dbraw/zinc/25/87/90/213258790.db2.gz HNTRILKAWHLJRI-MRXNPFEDSA-N 0 0 335.403 4.220 50 0 EIAARN O=C(NCC1CC1)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000040057793 213255794 /nfs/dbraw/zinc/25/57/94/213255794.db2.gz XPRJVFKEIKOBIB-NTCAYCPXSA-N 0 0 344.414 4.454 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)c3cnn4cccnc34)cc2)cc1 ZINC000040051148 213254994 /nfs/dbraw/zinc/25/49/94/213254994.db2.gz WVQSMFNWCDMLNP-UHFFFAOYSA-N 0 0 344.374 4.082 50 0 EIAARN CCOc1ccc(-c2noc(CNc3ccc(C)c(F)c3)n2)cc1 ZINC000040071581 213258174 /nfs/dbraw/zinc/25/81/74/213258174.db2.gz DFIBQFQDWKNGGA-UHFFFAOYSA-N 0 0 327.359 4.195 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(C)sc2C)cc1 ZINC000040072747 213257846 /nfs/dbraw/zinc/25/78/46/213257846.db2.gz WGBKFGDLVTWXCE-LBPRGKRZSA-N 0 0 346.452 4.424 50 0 EIAARN CCSc1ccc([C@@H](C)NC(=O)N(C)Cc2c(C)noc2C)cc1 ZINC000069587364 215486879 /nfs/dbraw/zinc/48/68/79/215486879.db2.gz DAPRPQRVRHMZII-GFCCVEGCSA-N 0 0 347.484 4.306 50 0 EIAARN O=C(NCC(F)(F)F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000040062209 213256671 /nfs/dbraw/zinc/25/66/71/213256671.db2.gz VVUIEJHCCXJBGX-QWRGUYRKSA-N 0 0 340.370 4.025 50 0 EIAARN Nc1nc(Cl)cc(NCc2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000040067532 213256466 /nfs/dbraw/zinc/25/64/66/213256466.db2.gz GYXBQGXYXJDMMK-UHFFFAOYSA-N 0 0 344.777 4.256 50 0 EIAARN COc1ccc(NC(=O)N[C@H](c2cccs2)C(C)C)cc1OC ZINC000040023998 213251850 /nfs/dbraw/zinc/25/18/50/213251850.db2.gz HERHUSDDXNYHBX-INIZCTEOSA-N 0 0 334.441 4.284 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(C)cc2)cc1 ZINC000040009503 213250454 /nfs/dbraw/zinc/25/04/54/213250454.db2.gz CAFZDIHSMNGKIU-IBGZPJMESA-N 0 0 341.476 4.459 50 0 EIAARN O=C(CSc1ccc2ccccc2c1)Nc1nnc(C2CC2)s1 ZINC000040012830 213249683 /nfs/dbraw/zinc/24/96/83/213249683.db2.gz FLZCVJIBWLLUBG-UHFFFAOYSA-N 0 0 341.461 4.300 50 0 EIAARN Cc1nc2ccccc2nc1COC(=O)c1ccc2ccccc2c1O ZINC000039577011 213240922 /nfs/dbraw/zinc/24/09/22/213240922.db2.gz UTVRGKFDAQNZKS-UHFFFAOYSA-N 0 0 344.370 4.154 50 0 EIAARN CC1(C)[C@@]2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC[C@]1(C)C(=O)C2 ZINC000001432751 209749251 /nfs/dbraw/zinc/74/92/51/209749251.db2.gz MVBLPGQDJVQIJW-SJORKVTESA-N 0 0 339.357 4.429 50 0 EIAARN Cc1cccc([C@H]2C[C@@H]2C(=O)N(Cc2ccco2)Cc2cccnc2)c1 ZINC000069652840 215514418 /nfs/dbraw/zinc/51/44/18/215514418.db2.gz HNZXMRABPJUPER-RTWAWAEBSA-N 0 0 346.430 4.316 50 0 EIAARN Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000001405097 209741386 /nfs/dbraw/zinc/74/13/86/209741386.db2.gz RHNAIBDAHLWLRY-UHFFFAOYSA-N 0 0 336.395 4.384 50 0 EIAARN C[C@H](NC(=O)Nc1ccc(SC(F)F)cc1)c1nccs1 ZINC000069654324 215517605 /nfs/dbraw/zinc/51/76/05/215517605.db2.gz KBGXWSOLJOBYQU-QMMMGPOBSA-N 0 0 329.397 4.341 50 0 EIAARN CCOC(=O)c1c(C)cc(NC(C)C)c2cc(OC)c(OC)cc21 ZINC000001249912 209720041 /nfs/dbraw/zinc/72/00/41/209720041.db2.gz NQUDLVPTIQSTRO-UHFFFAOYSA-N 0 0 331.412 4.162 50 0 EIAARN CCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000001075410 209708738 /nfs/dbraw/zinc/70/87/38/209708738.db2.gz PCCYNQNEVZAIRB-UHFFFAOYSA-N 0 0 327.767 4.462 50 0 EIAARN CCc1ccc(CNc2n[nH]c(NCc3ccc(CC)cc3)n2)cc1 ZINC000001067322 209707023 /nfs/dbraw/zinc/70/70/23/209707023.db2.gz WAOAEFTWHMBVKW-UHFFFAOYSA-N 0 0 335.455 4.154 50 0 EIAARN Cc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ncccn32)cc1 ZINC000001103823 209711328 /nfs/dbraw/zinc/71/13/28/209711328.db2.gz OSGZYJKDINLIGE-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 ZINC000001000986 209698795 /nfs/dbraw/zinc/69/87/95/209698795.db2.gz RRNHRMGSXVJGSW-UHFFFAOYSA-N 0 0 329.421 4.329 50 0 EIAARN FC(F)(F)c1ccncc1-c1noc(-c2ccc(Cl)cc2)n1 ZINC000001042915 209702622 /nfs/dbraw/zinc/70/26/22/209702622.db2.gz SJOZXVLPOCEGAZ-UHFFFAOYSA-N 0 0 325.677 4.471 50 0 EIAARN CC(C)(C)C(=O)c1cn(CC(=O)NCc2ccccc2)c2ccccc12 ZINC000000817608 209691739 /nfs/dbraw/zinc/69/17/39/209691739.db2.gz VHPAPAPWLCPXSK-UHFFFAOYSA-N 0 0 348.446 4.187 50 0 EIAARN COc1cc2nc(NC(=O)Nc3cccs3)sc2cc1OC ZINC000038671450 213220440 /nfs/dbraw/zinc/22/04/40/213220440.db2.gz ISXGUCHJHXNLIN-UHFFFAOYSA-N 0 0 335.410 4.019 50 0 EIAARN CCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(C)ccc21 ZINC000038652375 213219792 /nfs/dbraw/zinc/21/97/92/213219792.db2.gz YZYWVVKJQMHDKP-UHFFFAOYSA-N 0 0 331.375 4.047 50 0 EIAARN O=C(Nc1ccc(N2CCCCC2=O)cc1)Nc1c(F)cccc1F ZINC000038489782 213211057 /nfs/dbraw/zinc/21/10/57/213211057.db2.gz JKDXXSRCMNOCSO-UHFFFAOYSA-N 0 0 345.349 4.126 50 0 EIAARN Cc1cccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1 ZINC000000573702 209670596 /nfs/dbraw/zinc/67/05/96/209670596.db2.gz PBEFTYGPCWFVIM-UHFFFAOYSA-N 0 0 332.403 4.181 50 0 EIAARN O=C1CS[C@H](c2ccc(F)cc2)N1c1nc2ccccc2s1 ZINC000000564142 209665957 /nfs/dbraw/zinc/66/59/57/209665957.db2.gz GKZCFPFWFSFOAM-OAHLLOKOSA-N 0 0 330.409 4.214 50 0 EIAARN CCOc1ccccc1Nc1cc(C(=O)OC)nc2ccc(F)cc21 ZINC000038486587 213210402 /nfs/dbraw/zinc/21/04/02/213210402.db2.gz JBZPLVSPGRFARX-UHFFFAOYSA-N 0 0 340.354 4.303 50 0 EIAARN O=C(Nc1ccccc1F)c1ccc2c(c1)ncn2-c1ccccc1 ZINC000038488570 213210418 /nfs/dbraw/zinc/21/04/18/213210418.db2.gz VGCKPZJRQVQCAI-UHFFFAOYSA-N 0 0 331.350 4.417 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2cc(C)ccc2C)c1C ZINC000000568498 209666954 /nfs/dbraw/zinc/66/69/54/209666954.db2.gz LLRVIBDNKSWUFR-UHFFFAOYSA-N 0 0 329.400 4.069 50 0 EIAARN Cc1ccoc1-c1nnc(CSc2ccc3c(c2)OCCCO3)o1 ZINC000069702130 215540844 /nfs/dbraw/zinc/54/08/44/215540844.db2.gz MJMOESSLXDYIDZ-UHFFFAOYSA-N 0 0 344.392 4.092 50 0 EIAARN O=C(/C=C/c1ccccn1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000069704952 215544878 /nfs/dbraw/zinc/54/48/78/215544878.db2.gz NYEWQQRXBXWDSS-CJTWTEFWSA-N 0 0 347.418 4.028 50 0 EIAARN CCc1nc2ccccc2n1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000000549695 209660167 /nfs/dbraw/zinc/66/01/67/209660167.db2.gz VNHGTXZRTKLTAX-CQSZACIVSA-N 0 0 344.842 4.000 50 0 EIAARN O=C(NC1CCCCC1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000000548958 209660014 /nfs/dbraw/zinc/66/00/14/209660014.db2.gz MQSYTCFBFGFFHN-UHFFFAOYSA-N 0 0 331.847 4.222 50 0 EIAARN CC(C)CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1 ZINC000000548649 209659877 /nfs/dbraw/zinc/65/98/77/209659877.db2.gz JAHVSGXKAPWEDS-CQSZACIVSA-N 0 0 325.412 4.166 50 0 EIAARN O=C(c1cc2sccc2n1Cc1ccccc1F)N1CCCC1 ZINC000037525461 213152811 /nfs/dbraw/zinc/15/28/11/213152811.db2.gz QFWIABLIIOINLL-UHFFFAOYSA-N 0 0 328.412 4.126 50 0 EIAARN O=C(NCc1cccnc1)c1cc2sccc2n1Cc1ccccc1 ZINC000037525806 213152611 /nfs/dbraw/zinc/15/26/11/213152611.db2.gz LJLBVRHRQJBAEZ-UHFFFAOYSA-N 0 0 347.443 4.076 50 0 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Cc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000035480819 213032564 /nfs/dbraw/zinc/03/25/64/213032564.db2.gz QNZFVWPGCSTSBC-UHFFFAOYSA-N 0 0 335.411 4.232 50 0 EIAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1Cl ZINC000035536085 213036368 /nfs/dbraw/zinc/03/63/68/213036368.db2.gz AQIAECSKDXVUIZ-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1c(C)onc1-c1cccc(F)c1 ZINC000035536592 213036055 /nfs/dbraw/zinc/03/60/55/213036055.db2.gz DHTOTLPVFJRGAV-UHFFFAOYSA-N 0 0 340.354 4.358 50 0 EIAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccccc3C)n2)cc1 ZINC000035528078 213035908 /nfs/dbraw/zinc/03/59/08/213035908.db2.gz FHOYESHONBGVQC-UHFFFAOYSA-N 0 0 347.418 4.086 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NCCC(C)C)cc3c2c(ccc3Cl)O1 ZINC000035477465 213031486 /nfs/dbraw/zinc/03/14/86/213031486.db2.gz IBVJAOVHEBGEFL-LBPRGKRZSA-N 0 0 334.847 4.242 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1C ZINC000035476459 213031244 /nfs/dbraw/zinc/03/12/44/213031244.db2.gz LPZFATWJQOBVST-GOSISDBHSA-N 0 0 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Cc1cc(NC(=O)/C=C/c2ccco2)ccc1NC(=O)c1ccccc1 ZINC000000277340 209515868 /nfs/dbraw/zinc/51/58/68/209515868.db2.gz YOWTVLCJHXEBBD-ZRDIBKRKSA-N 0 0 346.386 4.492 50 0 EIAARN O=Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000000273352 209513517 /nfs/dbraw/zinc/51/35/17/209513517.db2.gz KNFDAKBRGAXZJE-KRWDZBQOSA-N 0 0 345.398 4.047 50 0 EIAARN CCc1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC000072328606 216152051 /nfs/dbraw/zinc/15/20/51/216152051.db2.gz PZVYMIJLAYJPFI-UHFFFAOYSA-N 0 0 343.854 4.026 50 0 EIAARN COc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000000228398 209496850 /nfs/dbraw/zinc/49/68/50/209496850.db2.gz JBEJSTKZNAJVSC-RUDMXATFSA-N 0 0 336.218 4.332 50 0 EIAARN CCCCc1ccc(NC(=O)COC(=O)Cc2ccccc2C)cc1 ZINC000072331067 216154902 /nfs/dbraw/zinc/15/49/02/216154902.db2.gz QTYRMWXYAQZIKF-UHFFFAOYSA-N 0 0 339.435 4.062 50 0 EIAARN Cc1ccc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c(C)c1 ZINC000072331376 216155268 /nfs/dbraw/zinc/15/52/68/216155268.db2.gz FJIWLSUOHFRDLK-UHFFFAOYSA-N 0 0 346.833 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ZINC000021905403 212262955 /nfs/dbraw/zinc/26/29/55/212262955.db2.gz WDHFCXZRAOLIIQ-KGLIPLIRSA-N 0 0 349.858 4.154 50 0 EIAARN O=C(CCn1ccc2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC000021872930 212257253 /nfs/dbraw/zinc/25/72/53/212257253.db2.gz KWACNXSSTNZJAJ-UHFFFAOYSA-N 0 0 346.352 4.367 50 0 EIAARN CC[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccc(OC)cc1 ZINC000021836841 212255746 /nfs/dbraw/zinc/25/57/46/212255746.db2.gz QDHNZYFARAEJNS-OAHLLOKOSA-N 0 0 326.421 4.186 50 0 EIAARN Cc1nn2c(nc(C(C)(C)C)cc2N(C)C)c1-c1ccc(F)cc1 ZINC000021799264 212251545 /nfs/dbraw/zinc/25/15/45/212251545.db2.gz PGFCHTFKQHTVFQ-UHFFFAOYSA-N 0 0 326.419 4.207 50 0 EIAARN CCn1nccc1[C@H]1CCCN1C(=O)Nc1ccc(C)cc1Cl ZINC000021791771 212250115 /nfs/dbraw/zinc/25/01/15/212250115.db2.gz WSNRPCAHDAQWNJ-OAHLLOKOSA-N 0 0 332.835 4.234 50 0 EIAARN Cc1nc([C@@H](C)NC(=O)C2(c3ccc(Cl)cc3)CC2)c(C)s1 ZINC000222359746 241510409 /nfs/dbraw/zinc/51/04/09/241510409.db2.gz CSYVNHCHAQHZRR-SNVBAGLBSA-N 0 0 334.872 4.322 50 0 EIAARN CCCCn1c(C)c(C)c2c3nc(-c4ccc(F)cc4)nn3cnc21 ZINC000021801430 212252059 /nfs/dbraw/zinc/25/20/59/212252059.db2.gz BZSFNCLRCFWGJL-UHFFFAOYSA-N 0 0 337.402 4.302 50 0 EIAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000021734282 212246114 /nfs/dbraw/zinc/24/61/14/212246114.db2.gz OVECKDAXVBMALR-JHJVBQTASA-N 0 0 334.510 4.281 50 0 EIAARN CC(C)c1cc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)no1 ZINC000021719111 212245174 /nfs/dbraw/zinc/24/51/74/212245174.db2.gz MEJYAPWQSQWQKM-MRXNPFEDSA-N 0 0 332.831 4.358 50 0 EIAARN COc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)c(OC)c1 ZINC000021720239 212244777 /nfs/dbraw/zinc/24/47/77/212244777.db2.gz IERWAGAIZWFLNZ-KRWDZBQOSA-N 0 0 330.428 4.152 50 0 EIAARN Cc1ccc(-c2cccnc2)cc1NC(=O)c1nc2cccnc2s1 ZINC000225768066 242026179 /nfs/dbraw/zinc/02/61/79/242026179.db2.gz BBLADOJBPHSALE-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN Cc1ccc(OCc2ccc(-n3cccn3)cc2)c2c1[C@H](C)CC2=O ZINC000021657257 212237817 /nfs/dbraw/zinc/23/78/17/212237817.db2.gz SKGQDKYVBALWNA-OAHLLOKOSA-N 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/nfs/dbraw/zinc/24/19/68/212241968.db2.gz IZMQKYPTQOFHDW-UHFFFAOYSA-N 0 0 336.326 4.176 50 0 EIAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000229178501 242152081 /nfs/dbraw/zinc/15/20/81/242152081.db2.gz KQPLJPLDBPQFIU-VHSXEESVSA-N 0 0 331.363 4.133 50 0 EIAARN COc1cccc(-c2nc3ncccn3c2NCc2ccc(F)cc2)c1 ZINC000021631421 212234984 /nfs/dbraw/zinc/23/49/84/212234984.db2.gz PUPYXQRAQXVNOQ-UHFFFAOYSA-N 0 0 348.381 4.156 50 0 EIAARN COc1cccc(-c2noc(NCc3cccc(Cl)c3)n2)c1OC ZINC000021630923 212234260 /nfs/dbraw/zinc/23/42/60/212234260.db2.gz HRFGYWDLJPIKSD-UHFFFAOYSA-N 0 0 345.786 4.019 50 0 EIAARN O=C(NCc1c2c(sc1-n1cccc1)CCCC2)NC1CCCC1 ZINC000021525810 212229152 /nfs/dbraw/zinc/22/91/52/212229152.db2.gz CEJZLTVNMVNRJI-UHFFFAOYSA-N 0 0 343.496 4.159 50 0 EIAARN C[C@H](C(=O)Nc1ccccc1Cl)N1CC[C@@H](c2ccccc2)C1 ZINC000229720084 242193643 /nfs/dbraw/zinc/19/36/43/242193643.db2.gz WHBXSBHMXCHYER-GDBMZVCRSA-N 0 0 328.843 4.157 50 0 EIAARN C[C@@H]1CN(Cc2cc(-c3cccs3)on2)C[C@@H](c2ccccc2)O1 ZINC000229775803 242197592 /nfs/dbraw/zinc/19/75/92/242197592.db2.gz LEVAYHYETPBUAI-KDOFPFPSSA-N 0 0 340.448 4.365 50 0 EIAARN Cc1noc(C)c1CC(=O)OCc1csc(-c2ccc(C)cc2)n1 ZINC000021493550 212227726 /nfs/dbraw/zinc/22/77/26/212227726.db2.gz GIJUPWCMHAPWHM-UHFFFAOYSA-N 0 0 342.420 4.009 50 0 EIAARN C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1cccc(Cl)c1 ZINC000021466169 212224679 /nfs/dbraw/zinc/22/46/79/212224679.db2.gz FSRRJSYYNXGGAN-LLVKDONJSA-N 0 0 335.860 4.021 50 0 EIAARN COc1ccc(N[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)c(OC)c1 ZINC000021364301 212223607 /nfs/dbraw/zinc/22/36/07/212223607.db2.gz KSKHBRHWBAXUDO-ZDUSSCGKSA-N 0 0 338.407 4.177 50 0 EIAARN Clc1ccc(-c2nnc(CN3CCc4sccc4C3)o2)cc1 ZINC000021418637 212223387 /nfs/dbraw/zinc/22/33/87/212223387.db2.gz RCTUBVYEANSKNZ-UHFFFAOYSA-N 0 0 331.828 4.010 50 0 EIAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc2cnccc21 ZINC000021220239 212216580 /nfs/dbraw/zinc/21/65/80/212216580.db2.gz UJFZSOCSJWZEGV-UHFFFAOYSA-N 0 0 349.415 4.441 50 0 EIAARN COc1ccccc1-c1cc2nc(C)cc(Nc3ccccc3)n2n1 ZINC000021150504 212212355 /nfs/dbraw/zinc/21/23/55/212212355.db2.gz OYCKXVFPZQKIJB-UHFFFAOYSA-N 0 0 330.391 4.457 50 0 EIAARN Cc1cc(Nc2cccc(C)c2C)n2nc(Cc3ccccc3)nc2n1 ZINC000021173891 212214515 /nfs/dbraw/zinc/21/45/15/212214515.db2.gz LPIPPSLDEGWCPY-UHFFFAOYSA-N 0 0 343.434 4.384 50 0 EIAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2cccs2)C1 ZINC000021172101 212214076 /nfs/dbraw/zinc/21/40/76/212214076.db2.gz DUKAKNWGEOOTAT-AWEZNQCLSA-N 0 0 339.464 4.024 50 0 EIAARN CCCOc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000021149724 212213284 /nfs/dbraw/zinc/21/32/84/212213284.db2.gz NSPPJQPSVNHHCV-LBPRGKRZSA-N 0 0 330.453 4.309 50 0 EIAARN CCc1nc2ccc(C(=O)NCCCc3ccccc3)cc2nc1CC ZINC000021117164 212208098 /nfs/dbraw/zinc/20/80/98/212208098.db2.gz VXRZZHCDRUONCS-UHFFFAOYSA-N 0 0 347.462 4.117 50 0 EIAARN COc1ccc2c(c1)C=C(C(=O)Nc1cc(Cl)ccc1C)CO2 ZINC000021095274 212205841 /nfs/dbraw/zinc/20/58/41/212205841.db2.gz BGBSQOXSVZIHHG-UHFFFAOYSA-N 0 0 329.783 4.072 50 0 EIAARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)o1 ZINC000021032915 212202163 /nfs/dbraw/zinc/20/21/63/212202163.db2.gz HLNSZVBCHQCUSF-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN Cc1c(C[NH2+]Cc2ccccc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025088 212200656 /nfs/dbraw/zinc/20/06/56/212200656.db2.gz JFOXEXGFYVNXKA-UHFFFAOYSA-N 0 0 348.446 4.391 50 0 EIAARN CC(C)(C)c1ccc(O)c(NC(=O)c2cc(Br)c[nH]2)c1 ZINC000021006813 212199167 /nfs/dbraw/zinc/19/91/67/212199167.db2.gz CTJGIKMLXTVJKP-UHFFFAOYSA-N 0 0 337.217 4.033 50 0 EIAARN COc1cccc([C@@H](CC(=O)Nc2ccccc2C)n2cccc2)c1 ZINC000020998420 212198073 /nfs/dbraw/zinc/19/80/73/212198073.db2.gz PDUZDOUAJAFROC-HXUWFJFHSA-N 0 0 334.419 4.423 50 0 EIAARN COc1cccc([C@@H](CC(=O)Nc2cccc(C)c2)n2cccc2)c1 ZINC000020998534 212197572 /nfs/dbraw/zinc/19/75/72/212197572.db2.gz JIWJISZGHBJRQB-HXUWFJFHSA-N 0 0 334.419 4.423 50 0 EIAARN Cc1ccc(CNC(=O)C[C@H](c2cccc(C)c2)n2cccc2)cc1 ZINC000020998982 212197576 /nfs/dbraw/zinc/19/75/76/212197576.db2.gz 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O=C(c1ccc(F)c(F)c1)N1CCC(CSc2ccccn2)CC1 ZINC000085557494 217676667 /nfs/dbraw/zinc/67/66/67/217676667.db2.gz HFMMMVLQTJHWDU-UHFFFAOYSA-N 0 0 348.418 4.004 50 0 EIAARN Cc1cc(C)cc(C(=O)c2ccccc2CN2CCSCC2)c1 ZINC000085651668 217681024 /nfs/dbraw/zinc/68/10/24/217681024.db2.gz LUXSFINEUAQKJQ-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN CCOC(=O)Nc1sc(NC(=O)C(C)C)nc1-c1ccc(C)cc1 ZINC000013655565 211601428 /nfs/dbraw/zinc/60/14/28/211601428.db2.gz RKRPHHFMXVCDDT-UHFFFAOYSA-N 0 0 347.440 4.281 50 0 EIAARN CCCN(C(C)=O)c1nc(-c2cccc(Br)c2)cs1 ZINC000013364562 211551215 /nfs/dbraw/zinc/55/12/15/211551215.db2.gz FQMDCJZZFUMEPD-UHFFFAOYSA-N 0 0 339.258 4.336 50 0 EIAARN CC(C)c1ccc(-c2nc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cs2)cc1 ZINC000013015390 211513262 /nfs/dbraw/zinc/51/32/62/211513262.db2.gz TWVLHMKQKQAIKK-ZIAGYGMSSA-N 0 0 344.480 4.183 50 0 EIAARN Cc1noc(C)c1[C@H](C)NC(=O)N([C@H](C)c1ccccc1F)C1CC1 ZINC000089526305 217809079 /nfs/dbraw/zinc/80/90/79/217809079.db2.gz KTUCSNNFQHCQEB-WCQYABFASA-N 0 0 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/nfs/dbraw/zinc/40/73/60/211407360.db2.gz GFDPNQVKEGTKMC-UHFFFAOYSA-N 0 0 337.814 4.135 50 0 EIAARN O=C(c1cccn1Cc1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000089841085 217858766 /nfs/dbraw/zinc/85/87/66/217858766.db2.gz BCGOZWFNOZROJS-HXUWFJFHSA-N 0 0 330.431 4.166 50 0 EIAARN O=C(/C=C/c1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC000012608554 211423565 /nfs/dbraw/zinc/42/35/65/211423565.db2.gz VBRFZPFDVBILSV-QGFLDLQWSA-N 0 0 332.378 4.140 50 0 EIAARN COc1cccc(NCC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000012515779 211396238 /nfs/dbraw/zinc/39/62/38/211396238.db2.gz MCOPYDJWNPLRFQ-UHFFFAOYSA-N 0 0 346.430 4.337 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1C[C@@H]1CCCO1 ZINC000012517383 211396249 /nfs/dbraw/zinc/39/62/49/211396249.db2.gz RNHVANYOFSTJSF-SCLBCKFNSA-N 0 0 342.826 4.086 50 0 EIAARN Cc1nc([C@H](C)Nc2nncc(-c3ccc(Cl)cc3)n2)cs1 ZINC000012456690 211389292 /nfs/dbraw/zinc/38/92/92/211389292.db2.gz XTQLESWSWZXOHH-VIFPVBQESA-N 0 0 331.832 4.130 50 0 EIAARN CCN(CC)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000012460440 211388554 /nfs/dbraw/zinc/38/85/54/211388554.db2.gz YGPSGGNINCEAFM-UHFFFAOYSA-N 0 0 345.443 4.076 50 0 EIAARN O=C(CCc1ccco1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000089878960 217869954 /nfs/dbraw/zinc/86/99/54/217869954.db2.gz OGMLKMHGAYRKKF-IBGZPJMESA-N 0 0 340.810 4.166 50 0 EIAARN Clc1ccc(OCc2nc3n(n2)Cc2ccccc2-3)c(Cl)c1 ZINC000012377176 211360249 /nfs/dbraw/zinc/36/02/49/211360249.db2.gz CVSKSXOWKCRZNU-UHFFFAOYSA-N 0 0 332.190 4.193 50 0 EIAARN Cc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3)no2)cc1 ZINC000012422152 211375944 /nfs/dbraw/zinc/37/59/44/211375944.db2.gz JXQXFLWKIVKQNW-UHFFFAOYSA-N 0 0 328.318 4.109 50 0 EIAARN Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)cc4C)C3)n2)cc1 ZINC000012416001 211373417 /nfs/dbraw/zinc/37/34/17/211373417.db2.gz OTQZAMFPSWQHDX-KRWDZBQOSA-N 0 0 347.418 4.182 50 0 EIAARN CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2cc(Cl)cn2C)c1 ZINC000089905239 217879894 /nfs/dbraw/zinc/87/98/94/217879894.db2.gz XRIHOWNTCCPHGU-LBPRGKRZSA-N 0 0 335.835 4.050 50 0 EIAARN CCN(C(=O)c1cccc(NC(=O)c2ccncc2)c1)c1ccccc1 ZINC000012406071 211370097 /nfs/dbraw/zinc/37/00/97/211370097.db2.gz NMXLBJSFGNJGDB-UHFFFAOYSA-N 0 0 345.402 4.001 50 0 EIAARN CCCNC(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000012404487 211369753 /nfs/dbraw/zinc/36/97/53/211369753.db2.gz AXJLDGGIOOHUHY-UHFFFAOYSA-N 0 0 346.430 4.161 50 0 EIAARN COc1ccc(C[C@@H](C)NC(=O)c2cc3ccccc3s2)cc1 ZINC000012401830 211369160 /nfs/dbraw/zinc/36/91/60/211369160.db2.gz VNXONJPYECAJAX-CYBMUJFWSA-N 0 0 325.433 4.271 50 0 EIAARN C[C@@H](Oc1cccc(Br)c1)c1nc(-c2ccncc2)no1 ZINC000012401970 211368750 /nfs/dbraw/zinc/36/87/50/211368750.db2.gz ASKRYJFMJWAWIC-SNVBAGLBSA-N 0 0 346.184 4.034 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(C)cc3)s2)cs1 ZINC000012396608 211368111 /nfs/dbraw/zinc/36/81/11/211368111.db2.gz SXMGCLYCRWCKQE-UHFFFAOYSA-N 0 0 342.489 4.461 50 0 EIAARN Fc1cccc(-c2nn3c(nnc3-c3ccc(Cl)cc3)s2)c1 ZINC000012389061 211365649 /nfs/dbraw/zinc/36/56/49/211365649.db2.gz NJTBYWTXXSWOLH-UHFFFAOYSA-N 0 0 330.775 4.312 50 0 EIAARN CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000012382603 211363299 /nfs/dbraw/zinc/36/32/99/211363299.db2.gz YRNLOEPUTKRJJS-UHFFFAOYSA-N 0 0 331.803 4.122 50 0 EIAARN Fc1cccc(-c2nnc3sc(/C=C/c4ccccc4)nn32)c1F ZINC000012321975 211345839 /nfs/dbraw/zinc/34/58/39/211345839.db2.gz PKEXYPVCJHITSR-MDZDMXLPSA-N 0 0 340.358 4.301 50 0 EIAARN O=C(Nc1ccc(Oc2cccnc2)nc1)c1cccc2[nH]ccc21 ZINC000089993735 217905482 /nfs/dbraw/zinc/90/54/82/217905482.db2.gz JGQMGMYFRRDWOI-UHFFFAOYSA-N 0 0 330.347 4.003 50 0 EIAARN Cc1nn(-c2cccc(Cl)c2C)c2[nH]c(=O)cc(C(F)(F)F)c12 ZINC000012372491 211358542 /nfs/dbraw/zinc/35/85/42/211358542.db2.gz DBHGZRACVDZLOZ-UHFFFAOYSA-N 0 0 341.720 4.003 50 0 EIAARN Clc1ccc(Nc2nn3c(nnc3-c3cccs3)s2)cc1 ZINC000012375005 211358399 /nfs/dbraw/zinc/35/83/99/211358399.db2.gz NFOIQKBGNQKSNK-UHFFFAOYSA-N 0 0 333.829 4.311 50 0 EIAARN O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1COc2ccccc2O1 ZINC000012274764 211331499 /nfs/dbraw/zinc/33/14/99/211331499.db2.gz AJHIXOSLPCJWMN-HXUWFJFHSA-N 0 0 346.386 4.209 50 0 EIAARN Cc1cccc(CN2CCOc3c(O)cc(-c4ccccn4)cc3C2)c1 ZINC000012243592 211330452 /nfs/dbraw/zinc/33/04/52/211330452.db2.gz JCFLSAIZKFEXMD-UHFFFAOYSA-N 0 0 346.430 4.157 50 0 EIAARN COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)cc1 ZINC000012302669 211338846 /nfs/dbraw/zinc/33/88/46/211338846.db2.gz QSKRYUVRZFCFDD-IBGZPJMESA-N 0 0 338.451 4.029 50 0 EIAARN Cn1c2c(cccc2Cl)s/c1=N/C(=O)c1cccc(Cl)c1 ZINC000012180814 211310868 /nfs/dbraw/zinc/31/08/68/211310868.db2.gz SZFICXRJAXKZJS-OBGWFSINSA-N 0 0 337.231 4.288 50 0 EIAARN COc1ccc(NC(=O)C2(c3cccs3)CCCC2)c(OC)c1 ZINC000012157604 211309165 /nfs/dbraw/zinc/30/91/65/211309165.db2.gz CEYWKARUXVGVLO-UHFFFAOYSA-N 0 0 331.437 4.216 50 0 EIAARN C[C@H](c1ccccc1)n1c(CNC(=O)c2ccco2)nc2ccccc21 ZINC000012062233 211284572 /nfs/dbraw/zinc/28/45/72/211284572.db2.gz AQIKFTKFINFKLX-OAHLLOKOSA-N 0 0 345.402 4.169 50 0 EIAARN CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1 ZINC000012062532 211284182 /nfs/dbraw/zinc/28/41/82/211284182.db2.gz 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/nfs/dbraw/zinc/04/74/85/218047485.db2.gz HYPMYSJZWLZULZ-UHFFFAOYSA-N 0 0 326.812 4.257 50 0 EIAARN Fc1ccc([C@@H](CCNc2nnc(C3CC3)o2)c2ccco2)cc1 ZINC000091707693 218052718 /nfs/dbraw/zinc/05/27/18/218052718.db2.gz JFDFGJRIEGUYMZ-OAHLLOKOSA-N 0 0 327.359 4.313 50 0 EIAARN Cc1noc([C@H]2CCCCN2C(=O)c2oc3cc(C)ccc3c2C)n1 ZINC000091625602 218034701 /nfs/dbraw/zinc/03/47/01/218034701.db2.gz ANHOTPGBIKUZPR-OAHLLOKOSA-N 0 0 339.395 4.108 50 0 EIAARN CN(Cc1nc(Cc2ccccc2Cl)no1)Cc1ccc(F)cc1 ZINC000011816373 211250188 /nfs/dbraw/zinc/25/01/88/211250188.db2.gz NXBRNZLAXJZENY-UHFFFAOYSA-N 0 0 345.805 4.085 50 0 EIAARN CC(C)n1ccnc1C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000091635959 218036936 /nfs/dbraw/zinc/03/69/36/218036936.db2.gz VLOUGKBLKOGUMJ-UHFFFAOYSA-N 0 0 349.837 4.276 50 0 EIAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)Cc1cc(C2CC2)on1 ZINC000091650742 218039842 /nfs/dbraw/zinc/03/98/42/218039842.db2.gz IYPGAUGDIBJNJB-UHFFFAOYSA-N 0 0 337.423 4.231 50 0 EIAARN O=C(NCC1(c2ccccc2)CC1)c1ccc(Br)cc1F ZINC000011750475 211243513 /nfs/dbraw/zinc/24/35/13/211243513.db2.gz ZXALEHYFOGVYEB-UHFFFAOYSA-N 0 0 348.215 4.050 50 0 EIAARN CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2noc(-c3ccco3)n2)C1 ZINC000091665462 218044125 /nfs/dbraw/zinc/04/41/25/218044125.db2.gz ZVBQICNGRZPSCD-IBGZPJMESA-N 0 0 343.427 4.205 50 0 EIAARN O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cc2ccccc2o1 ZINC000011613473 211224619 /nfs/dbraw/zinc/22/46/19/211224619.db2.gz GNUQWUASRZCJRA-UHFFFAOYSA-N 0 0 336.322 4.157 50 0 EIAARN Clc1ccc(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)nn1 ZINC000091808035 218069033 /nfs/dbraw/zinc/06/90/33/218069033.db2.gz GAAWPSIJJXQLTE-AWEZNQCLSA-N 0 0 337.814 4.077 50 0 EIAARN CCc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1 ZINC000011690271 211236093 /nfs/dbraw/zinc/23/60/93/211236093.db2.gz GOQRLERPBZCJDJ-UHFFFAOYSA-N 0 0 334.423 4.007 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C ZINC000011690148 211234124 /nfs/dbraw/zinc/23/41/24/211234124.db2.gz MOGGMMOUDOAGID-UHFFFAOYSA-N 0 0 348.450 4.316 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1[nH]c2c(cc(C)cc2C)c1C ZINC000091755291 218059368 /nfs/dbraw/zinc/05/93/68/218059368.db2.gz DAJAKYCIPKBQMR-OAHLLOKOSA-N 0 0 338.455 4.266 50 0 EIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000011614167 211226757 /nfs/dbraw/zinc/22/67/57/211226757.db2.gz MNJOBPINKOEJJF-JTQLQIEISA-N 0 0 342.247 4.133 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C(C)(C)C ZINC000011613714 211226541 /nfs/dbraw/zinc/22/65/41/211226541.db2.gz VKENIUOYRGDYRY-UHFFFAOYSA-N 0 0 347.480 4.410 50 0 EIAARN COc1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 ZINC000011618704 211226269 /nfs/dbraw/zinc/22/62/69/211226269.db2.gz AQVFEPBFTNZEFF-UHFFFAOYSA-N 0 0 332.403 4.413 50 0 EIAARN CC[C@@H](NC(=O)Cc1c(C)[nH]c2c1cccc2F)c1cc(C)ccn1 ZINC000091915512 218088227 /nfs/dbraw/zinc/08/82/27/218088227.db2.gz SXUCTMGPUWOOJW-QGZVFWFLSA-N 0 0 339.414 4.129 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)OCc2cc(=O)oc3cc(C)ccc23)C1(C)C ZINC000011263103 211210817 /nfs/dbraw/zinc/21/08/17/211210817.db2.gz QBTYTGNUKYWESL-QFBILLFUSA-N 0 0 340.419 4.383 50 0 EIAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ncccc1Cl ZINC000011250978 211210264 /nfs/dbraw/zinc/21/02/64/211210264.db2.gz DAWMXSKQOIPPTD-LLVKDONJSA-N 0 0 336.844 4.171 50 0 EIAARN COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ncccc1Cl ZINC000011250983 211209641 /nfs/dbraw/zinc/20/96/41/211209641.db2.gz DAWMXSKQOIPPTD-NSHDSACASA-N 0 0 336.844 4.171 50 0 EIAARN Cc1nn(C)c2sc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc12 ZINC000011237674 211208606 /nfs/dbraw/zinc/20/86/06/211208606.db2.gz VCNBFHQVSLKZDR-INIZCTEOSA-N 0 0 341.480 4.460 50 0 EIAARN Cc1ccc(Cl)c(OCC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000011210490 211209186 /nfs/dbraw/zinc/20/91/86/211209186.db2.gz QKRRDJLFBVEWKL-IBGZPJMESA-N 0 0 329.827 4.295 50 0 EIAARN CC(C)c1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)n(C)n1 ZINC000091915498 218087876 /nfs/dbraw/zinc/08/78/76/218087876.db2.gz HJIPUNBUXLRNLM-GOSISDBHSA-N 0 0 343.446 4.440 50 0 EIAARN Cc1ccccc1NCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000011114281 211203226 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/nfs/dbraw/zinc/03/97/40/211039740.db2.gz AHRHPTMVUCBFPV-UHFFFAOYSA-N 0 0 342.405 4.140 50 0 EIAARN CC(C)[C@H](NC(=O)Nc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000009077117 211039327 /nfs/dbraw/zinc/03/93/27/211039327.db2.gz ZCVHGXRQVMOWOD-IBGZPJMESA-N 0 0 340.423 4.367 50 0 EIAARN O=C(c1ccccc1-c1ncc[nH]1)N1CCCCC[C@@H]1c1ccco1 ZINC000095357883 218292369 /nfs/dbraw/zinc/29/23/69/218292369.db2.gz VVVLKVQRKFJUDT-QGZVFWFLSA-N 0 0 335.407 4.427 50 0 EIAARN COc1cc(Br)c(C(=O)c2ccc(C)cc2)cc1OC ZINC000009028595 211031628 /nfs/dbraw/zinc/03/16/28/211031628.db2.gz YDUSKGOFTPEMQH-UHFFFAOYSA-N 0 0 335.197 4.006 50 0 EIAARN c1cnn(-c2ccc(CSc3nnc(Cc4ccccc4)o3)cc2)c1 ZINC000009051709 211034694 /nfs/dbraw/zinc/03/46/94/211034694.db2.gz IXSCOBRDJJDPLS-UHFFFAOYSA-N 0 0 348.431 4.138 50 0 EIAARN Fc1cccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn32)c1 ZINC000009047397 211034285 /nfs/dbraw/zinc/03/42/85/211034285.db2.gz LPRGNLNWYAKTKM-UHFFFAOYSA-N 0 0 335.367 4.140 50 0 EIAARN O=S(=O)(C1=Cc2ccccc2CC1)N1CCCCc2ccccc21 ZINC000095364934 218298147 /nfs/dbraw/zinc/29/81/47/218298147.db2.gz XVVZHFRUVBYEEA-UHFFFAOYSA-N 0 0 339.460 4.146 50 0 EIAARN c1cn(CC2CCC2)c([C@@H]2CCCN(c3cnc4ccccc4n3)C2)n1 ZINC000095374412 218307540 /nfs/dbraw/zinc/30/75/40/218307540.db2.gz FSSONLDXXUZXIG-QGZVFWFLSA-N 0 0 347.466 4.010 50 0 EIAARN CC(C)CC(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000008959732 211022950 /nfs/dbraw/zinc/02/29/50/211022950.db2.gz VTBFNJJFEKHDNF-UHFFFAOYSA-N 0 0 346.471 4.079 50 0 EIAARN Fc1ccc2ncn3c(-c4ccc(Cl)cc4Cl)nnc3c2c1 ZINC000008991508 211028510 /nfs/dbraw/zinc/02/85/10/211028510.db2.gz NMUOYZKNXICHEQ-UHFFFAOYSA-N 0 0 333.153 4.390 50 0 EIAARN CCn1c(C)cc(C(=O)CSc2nnc(C(C)C)n2C2CC2)c1C ZINC000008988329 211027075 /nfs/dbraw/zinc/02/70/75/211027075.db2.gz FSCIYVLOGCCXBW-UHFFFAOYSA-N 0 0 346.500 4.150 50 0 EIAARN O=C(Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)C1CC1 ZINC000008986208 211026459 /nfs/dbraw/zinc/02/64/59/211026459.db2.gz PBVFGTQDXGIPPK-UHFFFAOYSA-N 0 0 339.782 4.406 50 0 EIAARN COc1ccccc1[C@H](C)N[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000008940132 211021272 /nfs/dbraw/zinc/02/12/72/211021272.db2.gz QUOORQRBPDMIDV-LSDHHAIUSA-N 0 0 337.423 4.465 50 0 EIAARN O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccsc1 ZINC000008923738 211018953 /nfs/dbraw/zinc/01/89/53/211018953.db2.gz OSBDNDKUJNLSOP-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN Cc1c2ccccc2[nH]c(=O)c1Sc1nnc(C(C)C)n1C1CC1 ZINC000008883519 211015752 /nfs/dbraw/zinc/01/57/52/211015752.db2.gz CQKDTZMZTIAURD-UHFFFAOYSA-N 0 0 340.452 4.038 50 0 EIAARN CCN1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O ZINC000008845108 211010635 /nfs/dbraw/zinc/01/06/35/211010635.db2.gz WGJOQJSQFDHTPA-QGZVFWFLSA-N 0 0 339.483 4.343 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2nonc2-c2ccccc2)c1 ZINC000008869484 211014509 /nfs/dbraw/zinc/01/45/09/211014509.db2.gz NPCWIXFGWOIOLR-UHFFFAOYSA-N 0 0 337.379 4.168 50 0 EIAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(F)cc2)no1 ZINC000008877058 211013895 /nfs/dbraw/zinc/01/38/95/211013895.db2.gz YORNCJPFQKHEMW-UHFFFAOYSA-N 0 0 343.383 4.062 50 0 EIAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(F)cc1F ZINC000008777864 211005298 /nfs/dbraw/zinc/00/52/98/211005298.db2.gz FRCVLUWKKJIWRF-UHFFFAOYSA-N 0 0 339.725 4.032 50 0 EIAARN COCCN(Cc1cccs1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000008772448 211003595 /nfs/dbraw/zinc/00/35/95/211003595.db2.gz XBCLBGXFQZJMMX-UHFFFAOYSA-N 0 0 338.860 4.390 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000008772016 211003141 /nfs/dbraw/zinc/00/31/41/211003141.db2.gz JVWJPAJWZQVLKF-UHFFFAOYSA-N 0 0 333.347 4.352 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000008765244 211001727 /nfs/dbraw/zinc/00/17/27/211001727.db2.gz RJZJZSOGCXGQSA-UHFFFAOYSA-N 0 0 335.407 4.088 50 0 biogenic EIAARN COc1cc(Cl)c(NC(=O)c2ccc3ccccc3n2)cc1OC ZINC000008755580 211001258 /nfs/dbraw/zinc/00/12/58/211001258.db2.gz HOMYRBUUANFHNO-UHFFFAOYSA-N 0 0 342.782 4.158 50 0 EIAARN O=C(Nc1ccc(O)c2ccccc12)c1ccc(Br)o1 ZINC000008757023 211000603 /nfs/dbraw/zinc/00/06/03/211000603.db2.gz VQPBUOWSVJVSLV-UHFFFAOYSA-N 0 0 332.153 4.153 50 0 EIAARN C[C@@H](NC(=O)N(CC1CC1)CC1CC1)c1ncc(-c2ccccc2)o1 ZINC000095399923 218333996 /nfs/dbraw/zinc/33/39/96/218333996.db2.gz IXHCLDWLRPDLDD-CQSZACIVSA-N 0 0 339.439 4.234 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccncc2F)cc1 ZINC000095400412 218334496 /nfs/dbraw/zinc/33/44/96/218334496.db2.gz OMTWIABYZRGVKY-UHFFFAOYSA-N 0 0 349.365 4.034 50 0 EIAARN COCc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000008708995 210985374 /nfs/dbraw/zinc/98/53/74/210985374.db2.gz OZPVFXJDDRLBLE-GFCCVEGCSA-N 0 0 337.341 4.343 50 0 EIAARN Cc1ccc(NC(=O)c2occc2Br)c2cccnc12 ZINC000095409111 218345374 /nfs/dbraw/zinc/34/53/74/218345374.db2.gz SIIYPFGISNCCGM-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN CC(C)[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccccn1 ZINC000095409949 218346385 /nfs/dbraw/zinc/34/63/85/218346385.db2.gz CNNOFLIMJQRISO-KSSFIOAISA-N 0 0 327.428 4.307 50 0 EIAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)c(C)c1 ZINC000008599608 210971584 /nfs/dbraw/zinc/97/15/84/210971584.db2.gz 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/nfs/dbraw/zinc/97/37/33/210973733.db2.gz MXICTKSQEBOFNQ-UHFFFAOYSA-N 0 0 343.496 4.263 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N(Cc1cccs1)C1CC1 ZINC000095427124 218369442 /nfs/dbraw/zinc/36/94/42/218369442.db2.gz MEZISBRAKKIEOF-OAHLLOKOSA-N 0 0 348.512 4.304 50 0 EIAARN Cc1cc(OCC(=O)N[C@@H](C)c2cccs2)c2cccc(F)c2n1 ZINC000095427506 218369683 /nfs/dbraw/zinc/36/96/83/218369683.db2.gz FIMAHUWOQXQXPW-LBPRGKRZSA-N 0 0 344.411 4.000 50 0 EIAARN CCn1nc(C)c([C@H](C)NCc2coc(-c3ccc(C)cc3)n2)c1C ZINC000095423536 218365776 /nfs/dbraw/zinc/36/57/76/218365776.db2.gz RKWCDYMKMRAHQG-AWEZNQCLSA-N 0 0 338.455 4.334 50 0 EIAARN CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000095423696 218366342 /nfs/dbraw/zinc/36/63/42/218366342.db2.gz CLJPYLSYYQAALQ-KGLIPLIRSA-N 0 0 348.903 4.156 50 0 EIAARN Cc1ccc(NCc2csc3ccccc23)cc1NS(C)(=O)=O ZINC000095428656 218370882 /nfs/dbraw/zinc/37/08/82/218370882.db2.gz UZOMUTSBZIRNDG-UHFFFAOYSA-N 0 0 346.477 4.193 50 0 EIAARN C[S@@](=O)Cc1cccc(NCc2csc(-c3cccs3)n2)c1 ZINC000095429162 218371907 /nfs/dbraw/zinc/37/19/07/218371907.db2.gz MYLDRBYTYWXVOL-QFIPXVFZSA-N 0 0 348.518 4.362 50 0 EIAARN Cc1nn(C)c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)c1C ZINC000095438221 218381440 /nfs/dbraw/zinc/38/14/40/218381440.db2.gz OTOIKGWHXXCURR-UHFFFAOYSA-N 0 0 340.814 4.005 50 0 EIAARN Cc1nnccc1C(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 ZINC000095435271 218377601 /nfs/dbraw/zinc/37/76/01/218377601.db2.gz HURYUXVFDBYSNT-UHFFFAOYSA-N 0 0 338.436 4.284 50 0 EIAARN CCc1nc(-c2ccccc2NC(=O)c2cc(C)n(C3CC3)c2C)n[nH]1 ZINC000095440632 218384981 /nfs/dbraw/zinc/38/49/81/218384981.db2.gz MEGOZQCTXQJMQS-UHFFFAOYSA-N 0 0 349.438 4.040 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](C)c1ccccc1 ZINC000008332828 210937441 /nfs/dbraw/zinc/93/74/41/210937441.db2.gz QJWIYGUTFFRBTJ-CYBMUJFWSA-N 0 0 337.448 4.047 50 0 EIAARN CN(Cc1ccccc1F)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000008305515 210929006 /nfs/dbraw/zinc/92/90/06/210929006.db2.gz USPYLIIZBWDQJL-UHFFFAOYSA-N 0 0 327.330 4.497 50 0 EIAARN CCc1cnccc1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095451499 218395373 /nfs/dbraw/zinc/39/53/73/218395373.db2.gz LYJHXQUILKRCTJ-QGZVFWFLSA-N 0 0 346.377 4.053 50 0 EIAARN O=C(Nc1c(F)cc(F)cc1Cl)c1cncc(Br)c1 ZINC000095452204 218396213 /nfs/dbraw/zinc/39/62/13/218396213.db2.gz CLNGGZMISVAISM-UHFFFAOYSA-N 0 0 347.546 4.028 50 0 EIAARN O=C(NCCSc1ccc(Cl)cc1)NCCc1cccs1 ZINC000095469934 218407071 /nfs/dbraw/zinc/40/70/71/218407071.db2.gz MHGOLMLOPHARAA-UHFFFAOYSA-N 0 0 340.901 4.036 50 0 EIAARN C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)c1cccnc1 ZINC000008174877 210906920 /nfs/dbraw/zinc/90/69/20/210906920.db2.gz KKVWCNKPTXYARL-ZDUSSCGKSA-N 0 0 340.810 4.144 50 0 EIAARN CN(Cc1noc2c1CCCC2)C(=O)Nc1ccc(F)cc1Cl ZINC000095504428 218417841 /nfs/dbraw/zinc/41/78/41/218417841.db2.gz UAANNVXQOHJGRZ-UHFFFAOYSA-N 0 0 337.782 4.010 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(F)ccc1C ZINC000008122924 210897552 /nfs/dbraw/zinc/89/75/52/210897552.db2.gz DBMGVFITFUMCNV-UHFFFAOYSA-N 0 0 327.384 4.213 50 0 EIAARN Cc1ccc2nc(CSc3cc(C)c4ccccc4n3)cc(=O)n2c1 ZINC000007980488 210873885 /nfs/dbraw/zinc/87/38/85/210873885.db2.gz PVFCETLYGWZLNB-UHFFFAOYSA-N 0 0 347.443 4.152 50 0 EIAARN CCOc1ccccc1NC(=O)CNc1ccc(Cl)cc1Cl ZINC000007972301 210871963 /nfs/dbraw/zinc/87/19/63/210871963.db2.gz FDEIXXQRSQLISF-UHFFFAOYSA-N 0 0 339.222 4.443 50 0 EIAARN CNC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000007964544 210870252 /nfs/dbraw/zinc/87/02/52/210870252.db2.gz QIGLCFRDQHRBJX-UHFFFAOYSA-N 0 0 344.823 4.167 50 0 EIAARN CC1(C)Cc2cccc(CNc3ccc(-c4ccccn4)cn3)c2O1 ZINC000095945589 218457906 /nfs/dbraw/zinc/45/79/06/218457906.db2.gz VSRHRDHBEFZNTL-UHFFFAOYSA-N 0 0 331.419 4.469 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1 ZINC000007775852 210844504 /nfs/dbraw/zinc/84/45/04/210844504.db2.gz NERRRVBQHDXSTA-LBPRGKRZSA-N 0 0 325.799 4.221 50 0 EIAARN CCO[C@@H](C)c1nccn1Cc1csc(-c2cccc(OC)c2)n1 ZINC000095976415 218480961 /nfs/dbraw/zinc/48/09/61/218480961.db2.gz MZSVPEHKOHCZOK-ZDUSSCGKSA-N 0 0 343.452 4.161 50 0 EIAARN Cc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c(C)o1 ZINC000007719239 210836658 /nfs/dbraw/zinc/83/66/58/210836658.db2.gz UHMZUVNOHCDHEX-UHFFFAOYSA-N 0 0 341.407 4.210 50 0 EIAARN CC[C@@H](C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1)c1ccccc1 ZINC000007759532 210843489 /nfs/dbraw/zinc/84/34/89/210843489.db2.gz NJSPVSLYJJJCJD-GOSISDBHSA-N 0 0 349.434 4.197 50 0 EIAARN CC(=O)c1ccc(OC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000007656345 210827513 /nfs/dbraw/zinc/82/75/13/210827513.db2.gz CFMHNYPRSFEZSQ-UHFFFAOYSA-N 0 0 344.366 4.339 50 0 EIAARN Cc1cc(C(=O)NCCCSc2ccccc2)c2ccccc2n1 ZINC000007652467 210826104 /nfs/dbraw/zinc/82/61/04/210826104.db2.gz OGQYPIJYESTIMF-UHFFFAOYSA-N 0 0 336.460 4.455 50 0 EIAARN COCCn1nc(C)c(NCc2ccc(Cl)c(Cl)c2)c1C ZINC000096003886 218505737 /nfs/dbraw/zinc/50/57/37/218505737.db2.gz WFKIKPDQMQJYQH-UHFFFAOYSA-N 0 0 328.243 4.065 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=S)NCCc1ccccc1 ZINC000007403855 210795185 /nfs/dbraw/zinc/79/51/85/210795185.db2.gz HURSNSNORBNSAW-INIZCTEOSA-N 0 0 330.522 4.175 50 0 EIAARN Cc1cc(/C=C/C(=O)N[C@@H]2CCOc3ccccc32)c(C)n1C1CC1 ZINC000007312734 210782387 /nfs/dbraw/zinc/78/23/87/210782387.db2.gz ZUKPZJHGTRHICE-QPGLYAHGSA-N 0 0 336.435 4.093 50 0 EIAARN CCc1nnc(NC(=O)Cc2coc3ccc4ccccc4c23)s1 ZINC000007347065 210787746 /nfs/dbraw/zinc/78/77/46/210787746.db2.gz HHFGMPBLGMIOGF-UHFFFAOYSA-N 0 0 337.404 4.181 50 0 EIAARN O=C(OCc1ccc(-n2cccn2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000007254486 210776217 /nfs/dbraw/zinc/77/62/17/210776217.db2.gz BDJKRRLEIYPAHW-UHFFFAOYSA-N 0 0 336.435 4.132 50 0 EIAARN Cc1c(C(=O)NCC(C)C)c(CC(C)C)nn1-c1ccc(Cl)cc1 ZINC000006871730 210732074 /nfs/dbraw/zinc/73/20/74/210732074.db2.gz MBGLGCUYBJVSTK-UHFFFAOYSA-N 0 0 347.890 4.418 50 0 EIAARN Clc1ccccc1[C@H]1CCN(c2nccc(-c3ccccn3)n2)C1 ZINC000096132388 218618135 /nfs/dbraw/zinc/61/81/35/218618135.db2.gz AVYZUFWTUQZLJN-AWEZNQCLSA-N 0 0 336.826 4.186 50 0 EIAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nccs1 ZINC000006789062 210712348 /nfs/dbraw/zinc/71/23/48/210712348.db2.gz DLSNMEDABKEHBP-UHFFFAOYSA-N 0 0 335.841 4.101 50 0 EIAARN CC[C@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000006745830 210698056 /nfs/dbraw/zinc/69/80/56/210698056.db2.gz NSZGAVBLFMARSY-INIZCTEOSA-N 0 0 330.815 4.212 50 0 EIAARN O=C(Nc1cccc(-c2noc(-c3cccnc3)n2)c1)c1cccs1 ZINC000006729479 210693419 /nfs/dbraw/zinc/69/34/19/210693419.db2.gz OUPQTHMGRGUYHU-UHFFFAOYSA-N 0 0 348.387 4.112 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)NCCc3ccccc3)cs2)cc1 ZINC000006669704 210675196 /nfs/dbraw/zinc/67/51/96/210675196.db2.gz BGUNBRHWUFSZKI-UHFFFAOYSA-N 0 0 336.460 4.020 50 0 EIAARN COc1ccc(OC)c([C@H](C)NC(=S)Nc2cc(C)cc(C)c2)c1 ZINC000006572412 210655999 /nfs/dbraw/zinc/65/59/99/210655999.db2.gz DMZHORHDVCZPKT-AWEZNQCLSA-N 0 0 344.480 4.368 50 0 EIAARN Cc1occc1-c1nnc(SCCC(=O)Nc2cccc(C)c2)o1 ZINC000006207159 210601022 /nfs/dbraw/zinc/60/10/22/210601022.db2.gz PJQWLZWQDCRDHN-UHFFFAOYSA-N 0 0 343.408 4.067 50 0 EIAARN O=C(/C=C/c1c(Cl)nc2ccccn12)OC/C=C\c1ccccc1 ZINC000096297579 218741149 /nfs/dbraw/zinc/74/11/49/218741149.db2.gz RRARWCDXKQINRF-QBJFVVIPSA-N 0 0 338.794 4.258 50 0 EIAARN COc1ccccc1/C=C1\N=C(C23CC4CC(CC(C4)C2)C3)OC1=O ZINC000006043683 210578914 /nfs/dbraw/zinc/57/89/14/210578914.db2.gz YOBUHVAQIHCXDS-MFOYZWKCSA-N 0 0 337.419 4.208 50 0 EIAARN CCOc1ccc/c(=N\c2ccc3c(c2)OCO3)c2c(C)oc(C)c21 ZINC000005953738 210566969 /nfs/dbraw/zinc/56/69/69/210566969.db2.gz APMOJZJIKAOQGQ-RCCKNPSSSA-N 0 0 337.375 4.409 50 0 biogenic EIAARN CC(=O)c1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000005825591 210542990 /nfs/dbraw/zinc/54/29/90/210542990.db2.gz ZJIBFPJTRDEEOX-UHFFFAOYSA-N 0 0 333.387 4.305 50 0 EIAARN COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000005681704 210516569 /nfs/dbraw/zinc/51/65/69/210516569.db2.gz HQJUPWGRODKART-UHFFFAOYSA-N 0 0 331.799 4.028 50 0 EIAARN COc1ccc(CNC(=O)c2ccc(C3SCCS3)cc2)cc1 ZINC000005680891 210516306 /nfs/dbraw/zinc/51/63/06/210516306.db2.gz HRDLSHKXQHMODI-UHFFFAOYSA-N 0 0 345.489 4.104 50 0 EIAARN COc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000005681947 210516435 /nfs/dbraw/zinc/51/64/35/210516435.db2.gz YTAQHHWGQVSWOF-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN Cc1ncoc1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000096446496 218829256 /nfs/dbraw/zinc/82/92/56/218829256.db2.gz HSSHFDYENFVGRI-UHFFFAOYSA-N 0 0 349.106 4.017 50 0 EIAARN C[C@H](Nc1cccc(Cn2cccn2)c1)c1nc(-c2ccccc2)no1 ZINC000096480876 218857609 /nfs/dbraw/zinc/85/76/09/218857609.db2.gz MJOBZWRYCAFZEI-HNNXBMFYSA-N 0 0 345.406 4.155 50 0 EIAARN Cc1ccc(NCc2cnc(C(C)(C)C)s2)cc1C(=O)N(C)C ZINC000096482927 218858322 /nfs/dbraw/zinc/85/83/22/218858322.db2.gz RLBOOZKHVKCCIS-UHFFFAOYSA-N 0 0 331.485 4.063 50 0 EIAARN CCc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000005400124 210458039 /nfs/dbraw/zinc/45/80/39/210458039.db2.gz QNTVHSBJDNLSRQ-UHFFFAOYSA-N 0 0 327.453 4.028 50 0 EIAARN C[C@H](NC(=O)/C=C\c1cccc(Br)c1)c1cccs1 ZINC000096585409 218884252 /nfs/dbraw/zinc/88/42/52/218884252.db2.gz SVZOIVQZFRHOKO-TVRMLOFPSA-N 0 0 336.254 4.401 50 0 EIAARN Cc1ccc(/C=C\C(=O)OCc2c(F)c(F)c(F)c(F)c2F)o1 ZINC000096499307 218874477 /nfs/dbraw/zinc/87/44/77/218874477.db2.gz KBSXKYDMPMPOFG-PLNGDYQASA-N 0 0 332.224 4.040 50 0 EIAARN Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(C)nc2ccccc21 ZINC000097000387 218911199 /nfs/dbraw/zinc/91/11/99/218911199.db2.gz YFVPMFUCGGMILH-UHFFFAOYSA-N 0 0 347.374 4.281 50 0 EIAARN CSc1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 ZINC000005264580 210428789 /nfs/dbraw/zinc/42/87/89/210428789.db2.gz GOXMPUNYTZMZAR-UHFFFAOYSA-N 0 0 343.477 4.337 50 0 EIAARN CN(C)C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000005255508 210426428 /nfs/dbraw/zinc/42/64/28/210426428.db2.gz YZQOQVCRKALCSV-UHFFFAOYSA-N 0 0 349.506 4.047 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)CC(C)C ZINC000005136916 210398051 /nfs/dbraw/zinc/39/80/51/210398051.db2.gz QWDIDEQIUCFEEI-UHFFFAOYSA-N 0 0 336.888 4.477 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000005145518 210399470 /nfs/dbraw/zinc/39/94/70/210399470.db2.gz JLOCPBWVNKYNTQ-UHFFFAOYSA-N 0 0 347.436 4.191 50 0 EIAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C1CCCC1 ZINC000005136984 210398698 /nfs/dbraw/zinc/39/86/98/210398698.db2.gz QMUFWTWKMVBFRB-UHFFFAOYSA-N 0 0 332.444 4.107 50 0 EIAARN Cc1ccc(/C=C\C(=O)Nc2ccc(Oc3cnccn3)cc2)s1 ZINC000097107595 218957404 /nfs/dbraw/zinc/95/74/04/218957404.db2.gz VSLSIRLVLYDFPM-HJWRWDBZSA-N 0 0 337.404 4.291 50 0 EIAARN CC[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1cccc1 ZINC000005055396 210377725 /nfs/dbraw/zinc/37/77/25/210377725.db2.gz YLTYCWUXDOQHHB-VXKWHMMOSA-N 0 0 346.474 4.409 50 0 EIAARN CCn1nc(C)c(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c1C ZINC000097100091 218953055 /nfs/dbraw/zinc/95/30/55/218953055.db2.gz WJJUUKOXQMUJKJ-MLGOLLRUSA-N 0 0 344.459 4.426 50 0 EIAARN COC(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005064352 210380198 /nfs/dbraw/zinc/38/01/98/210380198.db2.gz ODCDOLIIUSOBHK-UHFFFAOYSA-N 0 0 327.424 4.018 50 0 EIAARN CCn1c(C(=O)NCCc2ccccc2)cc2sc(Cl)cc21 ZINC000005036607 210371228 /nfs/dbraw/zinc/37/12/28/210371228.db2.gz WDZWSNUDPYGFJO-UHFFFAOYSA-N 0 0 332.856 4.349 50 0 EIAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1ccc(F)cc1 ZINC000005033502 210370462 /nfs/dbraw/zinc/37/04/62/210370462.db2.gz CNOPKQBJENICAQ-UHFFFAOYSA-N 0 0 327.428 4.145 50 0 EIAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1 ZINC000005035535 210370119 /nfs/dbraw/zinc/37/01/19/210370119.db2.gz JMSITKFFAWCNBH-UHFFFAOYSA-N 0 0 334.375 4.342 50 0 EIAARN CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1 ZINC000005050035 210374794 /nfs/dbraw/zinc/37/47/94/210374794.db2.gz MDASJWKUEPFJGV-UHFFFAOYSA-N 0 0 334.419 4.170 50 0 EIAARN Cc1ccc(C(C)C)c(OCCCn2c3ccccc3oc2=O)c1 ZINC000005014630 210362257 /nfs/dbraw/zinc/36/22/57/210362257.db2.gz WDLJUJHDVHMLOQ-UHFFFAOYSA-N 0 0 325.408 4.495 50 0 EIAARN CC(C)(C)c1n[nH]cc1CNCc1nc(-c2ccccc2)cs1 ZINC000097159631 218977278 /nfs/dbraw/zinc/97/72/78/218977278.db2.gz QZQJEMFGEJTLOZ-UHFFFAOYSA-N 0 0 326.469 4.121 50 0 EIAARN Cc1ccc2oc(=O)c3cc(C(=O)N4CCCCCC4)sc3c2c1 ZINC000004939297 210329944 /nfs/dbraw/zinc/32/99/44/210329944.db2.gz JPQWFTYBBLNOQV-UHFFFAOYSA-N 0 0 341.432 4.332 50 0 EIAARN O=C(CSc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1 ZINC000000042209 208555580 /nfs/dbraw/zinc/55/55/80/208555580.db2.gz JHSDFAZGCITDLN-UHFFFAOYSA-N 0 0 334.347 4.139 50 0 EIAARN Cc1ocnc1C(=O)N(Cc1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000097212998 218996240 /nfs/dbraw/zinc/99/62/40/218996240.db2.gz VUTBHXKEEDPEJP-LJQANCHMSA-N 0 0 347.418 4.098 50 0 EIAARN Cc1cc(C(=O)COC(=O)c2ccc(F)cc2Cl)c(C)n1C1CC1 ZINC000004915418 210323012 /nfs/dbraw/zinc/32/30/12/210323012.db2.gz RSPMEBNPULUHQZ-UHFFFAOYSA-N 0 0 349.789 4.272 50 0 EIAARN Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(-c3ccccc3)c2c1 ZINC000004942354 210335025 /nfs/dbraw/zinc/33/50/25/210335025.db2.gz MPNKLIBDSNULSX-HZPDHXFCSA-N 0 0 333.435 4.219 50 0 EIAARN Brc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1 ZINC000004942902 210334344 /nfs/dbraw/zinc/33/43/44/210334344.db2.gz ITNPZTLDJCPSBZ-UHFFFAOYSA-N 0 0 343.224 4.394 50 0 EIAARN CC[C@@H](C)N(Cc1ccccc1F)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000097243682 219003931 /nfs/dbraw/zinc/00/39/31/219003931.db2.gz DQMWKYWIRCISGK-SNVBAGLBSA-N 0 0 343.324 4.009 50 0 EIAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3 ZINC000004910058 210321083 /nfs/dbraw/zinc/32/10/83/210321083.db2.gz CZFLDKOYGCUODB-AWEZNQCLSA-N 0 0 339.391 4.068 50 0 EIAARN O=C(Nc1nccs1)c1cc(-c2ccc(O)cc2)nc2ccccc21 ZINC000007038855 208574453 /nfs/dbraw/zinc/57/44/53/208574453.db2.gz UGLJVBQORUBPSR-UHFFFAOYSA-N 0 0 347.399 4.316 50 0 EIAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2cc(C)ccn2)cc1 ZINC000004900832 210316696 /nfs/dbraw/zinc/31/66/96/210316696.db2.gz NFYHRRRFTCFWNI-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN CCCCN(C)C(=O)c1cc2cc3cc(OC)ccc3nc2s1 ZINC000004900648 210315769 /nfs/dbraw/zinc/31/57/69/210315769.db2.gz VNOVTULXMYZBET-UHFFFAOYSA-N 0 0 328.437 4.330 50 0 EIAARN CC[C@@]1(C)N=C(c2ccccc2)C(=S)N1C(=O)c1ccc(F)cc1 ZINC000004890980 210312599 /nfs/dbraw/zinc/31/25/99/210312599.db2.gz IKSBVSGIUMCSGY-IBGZPJMESA-N 0 0 340.423 4.224 50 0 EIAARN O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000004854369 210302517 /nfs/dbraw/zinc/30/25/17/210302517.db2.gz YOWKYMKXRCIRBH-KRWDZBQOSA-N 0 0 341.411 4.326 50 0 EIAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)c2ccco2)o1 ZINC000004851542 210301050 /nfs/dbraw/zinc/30/10/50/210301050.db2.gz JBZNROJDQFGXJN-CYBMUJFWSA-N 0 0 326.377 4.234 50 0 EIAARN C[C@@H]1CCC[C@H](N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)[C@@H]1C ZINC000004852013 210300216 /nfs/dbraw/zinc/30/02/16/210300216.db2.gz LXKVABORPCYYLX-VFVRVIDISA-N 0 0 333.431 4.359 50 0 EIAARN Cc1c(C(=O)Nc2ccccc2Cl)oc2c1[C@H](O)CC(C)(C)C2 ZINC000004851502 210298905 /nfs/dbraw/zinc/29/89/05/210298905.db2.gz DMROTABFISTKQW-CYBMUJFWSA-N 0 0 333.815 4.500 50 0 EIAARN O=C(COc1ccccc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000004869039 210308535 /nfs/dbraw/zinc/30/85/35/210308535.db2.gz AOUOLBSHBPEUGL-UHFFFAOYSA-N 0 0 329.705 4.376 50 0 EIAARN CCc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000004865981 210307455 /nfs/dbraw/zinc/30/74/55/210307455.db2.gz GZOXLKRCPVRBMX-UHFFFAOYSA-N 0 0 346.430 4.252 50 0 EIAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2[nH]c1=S ZINC000004865169 210305173 /nfs/dbraw/zinc/30/51/73/210305173.db2.gz BZZSSTOXBSOHQZ-UHFFFAOYSA-N 0 0 332.812 4.019 50 0 EIAARN O=C(Nc1ncc(Cc2ccccc2F)s1)[C@H]1CC1(Cl)Cl ZINC000097427162 219024167 /nfs/dbraw/zinc/02/41/67/219024167.db2.gz UITOKHSTCDFHHQ-SNVBAGLBSA-N 0 0 345.226 4.005 50 0 EIAARN CCCSc1nc2ccccc2c(=O)n1[C@H]1CCOC(C)(C)C1 ZINC000004838116 210293846 /nfs/dbraw/zinc/29/38/46/210293846.db2.gz BUGAKGBHTFSXRR-ZDUSSCGKSA-N 0 0 332.469 4.029 50 0 EIAARN COc1cccc(-c2cc(C(F)(F)F)c3c(n2)oc2onc(N)c23)c1 ZINC000004838096 210293887 /nfs/dbraw/zinc/29/38/87/210293887.db2.gz BEGWMMAXUZKRNZ-UHFFFAOYSA-N 0 0 349.268 4.246 50 0 EIAARN C[C@@H](Sc1nncn1-c1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000004835172 210293567 /nfs/dbraw/zinc/29/35/67/210293567.db2.gz LZKPGICZFRYARA-GFCCVEGCSA-N 0 0 343.839 4.284 50 0 EIAARN COc1ccc(-c2noc([C@@H](C)Oc3cccc(C)c3)n2)cc1OC ZINC000004833839 210292490 /nfs/dbraw/zinc/29/24/90/210292490.db2.gz BDWIYVGVYPZBRN-CYBMUJFWSA-N 0 0 340.379 4.202 50 0 EIAARN CCCN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O ZINC000004834940 210291653 /nfs/dbraw/zinc/29/16/53/210291653.db2.gz IIZHWVXMYFGJEL-GHRIWEEISA-N 0 0 338.432 4.141 50 0 EIAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000004828602 210290585 /nfs/dbraw/zinc/29/05/85/210290585.db2.gz SXDATOBDYYMYDY-CYBMUJFWSA-N 0 0 348.374 4.371 50 0 EIAARN CCCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000004812801 210284268 /nfs/dbraw/zinc/28/42/68/210284268.db2.gz PHXBPDZXCOZPQB-VBKFSLOCSA-N 0 0 341.794 4.473 50 0 EIAARN CCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000004815030 210284372 /nfs/dbraw/zinc/28/43/72/210284372.db2.gz JKKNLEXRYRIDQC-MOPGFXCFSA-N 0 0 346.434 4.064 50 0 EIAARN O=C(Nc1cccc(Cl)c1OC[C@@H]1CCCO1)c1cccs1 ZINC000004809818 210283081 /nfs/dbraw/zinc/28/30/81/210283081.db2.gz DUYMUKVSJVRYJK-NSHDSACASA-N 0 0 337.828 4.212 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1cccc(Br)c1 ZINC000004808441 210281540 /nfs/dbraw/zinc/28/15/40/210281540.db2.gz XWWBESWJLJADAZ-UHFFFAOYSA-N 0 0 340.217 4.319 50 0 EIAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC[C@@]2(CCCO2)CC1 ZINC000097514318 219031231 /nfs/dbraw/zinc/03/12/31/219031231.db2.gz KEBBZTBUFVHGIZ-OAQYLSRUSA-N 0 0 340.467 4.268 50 0 EIAARN COc1ccc2cc(C(=O)N3CCC[C@H]3c3ccccc3C)n(C)c2c1 ZINC000097505634 219031644 /nfs/dbraw/zinc/03/16/44/219031644.db2.gz CXQGSTCPBPAMEO-IBGZPJMESA-N 0 0 348.446 4.473 50 0 EIAARN CCCCSc1ncc(CN2CCCC[C@H]2c2cc(C)on2)cn1 ZINC000097505841 219031778 /nfs/dbraw/zinc/03/17/78/219031778.db2.gz DRADBHBDYDRTSK-KRWDZBQOSA-N 0 0 346.500 4.392 50 0 EIAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC[C@]2(CCCO2)CC1 ZINC000097514319 219031812 /nfs/dbraw/zinc/03/18/12/219031812.db2.gz KEBBZTBUFVHGIZ-NRFANRHFSA-N 0 0 340.467 4.268 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@@]2(CCCO2)CC1 ZINC000097527992 219033833 /nfs/dbraw/zinc/03/38/33/219033833.db2.gz QPKKOPAVSRDCCA-HXUWFJFHSA-N 0 0 327.424 4.225 50 0 EIAARN 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/nfs/dbraw/zinc/55/60/71/226556071.db2.gz FMXIXEFFLZVLQI-UHFFFAOYSA-N 0 0 330.094 4.313 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCOc1ccccc1C(=O)[O-] ZINC000183913212 534046417 /nfs/dbraw/zinc/04/64/17/534046417.db2.gz FHKKVACZVMIPHX-AWEZNQCLSA-N 0 0 339.391 4.203 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1c1ccncc1 ZINC000012539123 518198425 /nfs/dbraw/zinc/19/84/25/518198425.db2.gz MRXKRNKXWSHTOQ-SFHVURJKSA-N 0 0 347.418 4.033 50 0 EIAARN CC(C)(C)C(=O)CSc1nnc(Nc2ccccc2F)s1 ZINC000003464468 518558833 /nfs/dbraw/zinc/55/88/33/518558833.db2.gz VHVIAPKPRCUTNJ-UHFFFAOYSA-N 0 0 325.434 4.128 50 0 EIAARN Cc1noc(C2CC2)c1NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000185867969 534391110 /nfs/dbraw/zinc/39/11/10/534391110.db2.gz FITDDRPTVJYQSX-CQSZACIVSA-N 0 0 343.402 4.096 50 0 EIAARN Cc1noc(CCC(=O)N(c2ccc(Cl)c(Cl)c2)C(C)C)n1 ZINC000132211469 534391888 /nfs/dbraw/zinc/39/18/88/534391888.db2.gz VACLHVTUHVOJMB-UHFFFAOYSA-N 0 0 342.226 4.059 50 0 EIAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](N)(=O)c1ccc(N(C)C)cc1 ZINC000263621487 519825814 /nfs/dbraw/zinc/82/58/14/519825814.db2.gz OOJHUUWPPUDIFV-YMYXXHFHSA-N 0 0 338.432 4.007 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)cc1OC ZINC000084734807 522973568 /nfs/dbraw/zinc/97/35/68/522973568.db2.gz RHTOWYPPEAWLRK-MRXNPFEDSA-N 0 0 331.391 4.234 50 0 EIAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000253497717 534779747 /nfs/dbraw/zinc/77/97/47/534779747.db2.gz ITUMQEGPSUTXQQ-NDUBFONPSA-N 0 0 346.511 4.178 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCCc1ccccc1 ZINC000002739078 524909537 /nfs/dbraw/zinc/90/95/37/524909537.db2.gz HQGHLHXOQZDNQV-HNNXBMFYSA-N 0 0 331.843 4.165 50 0 EIAARN C[C@@H](NC(=O)N(C)C[C@@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000107724937 525149898 /nfs/dbraw/zinc/14/98/98/525149898.db2.gz LNQADWKVRANEBI-NEPJUHHUSA-N 0 0 345.270 4.122 50 0 EIAARN Cc1cc(OCC(=O)N2CCCc3ccccc32)cc(C)c1Cl ZINC000000079205 525358281 /nfs/dbraw/zinc/35/82/81/525358281.db2.gz HLBAASFZTYUPFL-UHFFFAOYSA-N 0 0 329.827 4.315 50 0 EIAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)c1cccs1 ZINC000096024509 526605873 /nfs/dbraw/zinc/60/58/73/526605873.db2.gz YGXGXTZWKXMQOB-UHFFFAOYSA-N 0 0 328.462 4.418 50 0 EIAARN O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc(F)cc1 ZINC000000070043 527134610 /nfs/dbraw/zinc/13/46/10/527134610.db2.gz RBALCGIVRZLMBV-IBGZPJMESA-N 0 0 334.350 4.302 50 0 EIAARN CC(C)OC(=O)O[C@H](C)Sc1ncnc2sc3c(c21)CCC3 ZINC000170652032 527829052 /nfs/dbraw/zinc/82/90/52/527829052.db2.gz XLMCRVQTDRZVIH-VIFPVBQESA-N 0 0 338.454 4.180 50 0 EIAARN CC(C)c1nc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)cs1 ZINC000164502769 528259432 /nfs/dbraw/zinc/25/94/32/528259432.db2.gz PLIHVRSUWLYXMP-GOEBONIOSA-N 0 0 348.512 4.411 50 0 EIAARN CCC(CC)n1ncc(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1C ZINC000191447835 528909095 /nfs/dbraw/zinc/90/90/95/528909095.db2.gz FTAZCNDVCUTFPZ-GOSISDBHSA-N 0 0 341.455 4.115 50 0 EIAARN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1nc2c(s1)CCCC2 ZINC000242292548 535045323 /nfs/dbraw/zinc/04/53/23/535045323.db2.gz YNENUNKJWJQQIM-LLVKDONJSA-N 0 0 347.406 4.217 50 0 EIAARN CCOC(=O)c1cnc2cc(Br)cc(C)c2c1Cl ZINC000215979758 535712825 /nfs/dbraw/zinc/71/28/25/535712825.db2.gz XCGKKJFYBCAMLL-UHFFFAOYSA-N 0 0 328.593 4.136 50 0 EIAARN CCc1ccc2oc(C(=O)NCCCOCc3ccco3)c(C)c2c1 ZINC000238950853 535833875 /nfs/dbraw/zinc/83/38/75/535833875.db2.gz ZYTBBACFTRSYKV-UHFFFAOYSA-N 0 0 341.407 4.233 50 0 EIAARN COc1cccc2c(C)cc(N3CCN(c4ccccc4C)CC3)nc12 ZINC000055425326 536931959 /nfs/dbraw/zinc/93/19/59/536931959.db2.gz FXTHSMWCQSBHKN-UHFFFAOYSA-N 0 0 347.462 4.187 50 0 EIAARN COc1ccc([C@H]2CCCCN(C(=O)Cc3ccsc3)C2)cc1 ZINC000206885695 536938927 /nfs/dbraw/zinc/93/89/27/536938927.db2.gz AJQCMPNKLSXUIT-KRWDZBQOSA-N 0 0 329.465 4.096 50 0 EIAARN COc1cccc([C@@H]2CCN2Cc2cc(Cl)cc(OC)c2OC)c1 ZINC000215662281 537138987 /nfs/dbraw/zinc/13/89/87/537138987.db2.gz GWTHXNCXXAVYRI-KRWDZBQOSA-N 0 0 347.842 4.313 50 0 EIAARN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c(Cl)cc1Cl ZINC000041095133 563924249 /nfs/dbraw/zinc/92/42/49/563924249.db2.gz ORPFIEBMMIVMQX-LLVKDONJSA-N 0 0 344.263 4.341 50 0 EIAARN CC(C)(C)OC(=O)N(Cc1ccc(Br)cc1F)C1CC1 ZINC000230549691 564058558 /nfs/dbraw/zinc/05/85/58/564058558.db2.gz LLJTYSGMTSZALM-UHFFFAOYSA-N 0 0 344.224 4.488 50 0 EIAARN Cc1sc(NC(=O)C2CC2)nc1-c1ccc(Br)cc1 ZINC000006994216 564102734 /nfs/dbraw/zinc/10/27/34/564102734.db2.gz OLWWRRMBUMUTAV-UHFFFAOYSA-N 0 0 337.242 4.230 50 0 EIAARN O=C(NCc1ccccc1Cl)Nc1ccccc1Br ZINC000013745485 564111975 /nfs/dbraw/zinc/11/19/75/564111975.db2.gz FEGYJBGMNMETQI-UHFFFAOYSA-N 0 0 339.620 4.424 50 0 EIAARN CC1(C)CN(C(=O)CCCC2CCOCC2)CC[C@H]1C(F)(F)F ZINC000252502137 564119861 /nfs/dbraw/zinc/11/98/61/564119861.db2.gz UMXLWQLDRQQVDZ-CQSZACIVSA-N 0 0 335.410 4.020 50 0 EIAARN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000021598606 564146625 /nfs/dbraw/zinc/14/66/25/564146625.db2.gz PUKYNPZQWCHOPO-UHFFFAOYSA-N 0 0 342.153 4.171 50 0 EIAARN C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1 ZINC000000355336 563290791 /nfs/dbraw/zinc/29/07/91/563290791.db2.gz NHSJKBWBXNSWLY-DOMZBBRYSA-N 0 0 338.289 4.323 50 0 EIAARN CCSc1nnc(NC(=O)/C=C/c2c(F)cccc2Cl)s1 ZINC000000475108 563333876 /nfs/dbraw/zinc/33/38/76/563333876.db2.gz PNUFTGWFFBKOCW-VOTSOKGWSA-N 0 0 343.836 4.095 50 0 EIAARN Cc1nc2ccccc2nc1OCc1ccc(Br)cc1 ZINC000000523621 563340600 /nfs/dbraw/zinc/34/06/00/563340600.db2.gz FGOMYRAYECOKBB-UHFFFAOYSA-N 0 0 329.197 4.280 50 0 EIAARN COc1cccc(/C=C/C(=O)Nc2ccc(Br)cc2)c1 ZINC000003481176 563485674 /nfs/dbraw/zinc/48/56/74/563485674.db2.gz USIZTVMPJYBNPN-BJMVGYQFSA-N 0 0 332.197 4.110 50 0 EIAARN Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)c1C ZINC000000034799 563211939 /nfs/dbraw/zinc/21/19/39/563211939.db2.gz FGFIVSXFFWDIPQ-UHFFFAOYSA-N 0 0 337.448 4.236 50 0 EIAARN CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O ZINC000000039452 563212695 /nfs/dbraw/zinc/21/26/95/563212695.db2.gz LPEPZZAVFJPLNZ-SFHVURJKSA-N 0 0 340.375 4.019 50 0 biogenic,in-vivo EIAARN O=C(/C=C1\OC(=O)c2ccccc21)Oc1cc(Cl)cc(Cl)c1 ZINC000000074562 563216562 /nfs/dbraw/zinc/21/65/62/563216562.db2.gz ZUMZOVJUMCNVKK-ZSOIEALJSA-N 0 0 335.142 4.110 50 0 EIAARN O=C(Nc1ccc(Br)cc1)c1ccc(Br)o1 ZINC000000089578 563221866 /nfs/dbraw/zinc/22/18/66/563221866.db2.gz LIVXVNWPAMSLLH-UHFFFAOYSA-N 0 0 344.990 4.057 50 0 EIAARN Cc1cc(S(=O)(=O)Cc2cccc(F)c2)c(Cl)cc1Cl ZINC000000091623 563222477 /nfs/dbraw/zinc/22/24/77/563222477.db2.gz QSDLBBICUQEPCZ-UHFFFAOYSA-N 0 0 333.211 4.415 50 0 EIAARN COc1ccc([C@H]2c3ccsc3CCN2C(=O)C(C)(C)C)cc1 ZINC000000107385 563228639 /nfs/dbraw/zinc/22/86/39/563228639.db2.gz ISZOAHZSPMSAAY-KRWDZBQOSA-N 0 0 329.465 4.277 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1ccccc1C)C[C@@H](C)CC2 ZINC000000118425 563233324 /nfs/dbraw/zinc/23/33/24/563233324.db2.gz IOFMMLNMIONNEW-NSHDSACASA-N 0 0 343.448 4.220 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1ccccc1C)C[C@H](C)CC2 ZINC000000118427 563233447 /nfs/dbraw/zinc/23/34/47/563233447.db2.gz IOFMMLNMIONNEW-LLVKDONJSA-N 0 0 343.448 4.220 50 0 EIAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000000127228 563236908 /nfs/dbraw/zinc/23/69/08/563236908.db2.gz DVQBMEVNMDZPMS-UHFFFAOYSA-N 0 0 348.855 4.491 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000000130151 563238090 /nfs/dbraw/zinc/23/80/90/563238090.db2.gz VEAAJCAQUORQBA-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN Cc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)ccc1Cl ZINC000000144454 563243644 /nfs/dbraw/zinc/24/36/44/563243644.db2.gz CTRLTHDYAGWYFQ-UHFFFAOYSA-N 0 0 333.815 4.453 50 0 EIAARN CC(=O)COc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000000148011 563244752 /nfs/dbraw/zinc/24/47/52/563244752.db2.gz GCWKSFBJNYMOLM-UHFFFAOYSA-N 0 0 338.359 4.170 50 0 EIAARN CCCc1ccc(OC(=O)COc2cccc(Br)c2)cc1 ZINC000000148529 563245139 /nfs/dbraw/zinc/24/51/39/563245139.db2.gz FNRGOWXMBLGJOO-UHFFFAOYSA-N 0 0 349.224 4.386 50 0 EIAARN CCN(C(=O)c1sc2nc(C)cc(C)c2c1N)c1ccccc1 ZINC000000149924 563245744 /nfs/dbraw/zinc/24/57/44/563245744.db2.gz NWVWFOLYVICZOV-UHFFFAOYSA-N 0 0 325.437 4.162 50 0 EIAARN O=C(Oc1cc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1 ZINC000000164428 563249180 /nfs/dbraw/zinc/24/91/80/563249180.db2.gz HABAAYNEGSCYIM-UHFFFAOYSA-N 0 0 341.366 4.210 50 0 EIAARN COc1cc(C(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000000163013 563249206 /nfs/dbraw/zinc/24/92/06/563249206.db2.gz UPWASYLLUIBHAF-UHFFFAOYSA-N 0 0 337.375 4.118 50 0 EIAARN Cn1nc(-c2ccccc2)c(CO)c1Sc1ccc(Cl)cc1 ZINC000000169118 563250321 /nfs/dbraw/zinc/25/03/21/563250321.db2.gz FMJSPNPSYNXTTD-UHFFFAOYSA-N 0 0 330.840 4.384 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](CC)C2 ZINC000000173256 563252343 /nfs/dbraw/zinc/25/23/43/563252343.db2.gz QDVMSOINSAONLU-LLVKDONJSA-N 0 0 347.436 4.285 50 0 EIAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CC1 ZINC000000181306 563254132 /nfs/dbraw/zinc/25/41/32/563254132.db2.gz QUHFIVWCHTVEIH-UHFFFAOYSA-N 0 0 329.421 4.249 50 0 EIAARN CCN(CC)c1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1 ZINC000000187168 563255563 /nfs/dbraw/zinc/25/55/63/563255563.db2.gz UJOQSHCJYVRZKJ-UHFFFAOYSA-N 0 0 334.375 4.447 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000000231808 563263836 /nfs/dbraw/zinc/26/38/36/563263836.db2.gz ZIIUUSVHCHPIQD-UHFFFAOYSA-N 0 0 343.370 4.431 50 0 in-vitro EIAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)cc1 ZINC000000235840 563264212 /nfs/dbraw/zinc/26/42/12/563264212.db2.gz IKQXZIJJDGWOLM-LBPRGKRZSA-N 0 0 341.436 4.081 50 0 EIAARN CC(C)COc1ccc(CC(=O)NCc2ccccc2)cc1Cl ZINC000000258223 563267977 /nfs/dbraw/zinc/26/79/77/563267977.db2.gz RVFHAXHGIRWVMY-UHFFFAOYSA-N 0 0 331.843 4.234 50 0 EIAARN O[C@@H]1CCCC[C@H]1C1(NC(=S)Nc2ccccc2)CCCCC1 ZINC000000267941 563269322 /nfs/dbraw/zinc/26/93/22/563269322.db2.gz PTBLMHUNNYYRFT-IAGOWNOFSA-N 0 0 332.513 4.227 50 0 EIAARN O=C(CCC(=O)OCc1ccccc1)Nc1cccc2ccccc21 ZINC000000271901 563269988 /nfs/dbraw/zinc/26/99/88/563269988.db2.gz RRRKWXZESIBYIJ-UHFFFAOYSA-N 0 0 333.387 4.302 50 0 EIAARN CN(C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1ccccc1 ZINC000000272324 563270107 /nfs/dbraw/zinc/27/01/07/563270107.db2.gz VHQIQHOWOUXCLB-UHFFFAOYSA-N 0 0 344.414 4.240 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccco1 ZINC000000283064 563272251 /nfs/dbraw/zinc/27/22/51/563272251.db2.gz KPRUPKQGYVQBJC-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN CCOc1ccc(NCC(=O)c2ccc(Br)cc2)cc1 ZINC000000287762 563273093 /nfs/dbraw/zinc/27/30/93/563273093.db2.gz KBYSVKYFCHCMAN-UHFFFAOYSA-N 0 0 334.213 4.143 50 0 EIAARN Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3)n2)c1 ZINC000000290503 563273430 /nfs/dbraw/zinc/27/34/30/563273430.db2.gz AWJBOFHHXKIQGK-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3F)c(C)oc2c1C ZINC000000315573 563282739 /nfs/dbraw/zinc/28/27/39/563282739.db2.gz LYLDHPPXTYFZIW-UHFFFAOYSA-N 0 0 342.322 4.267 50 0 EIAARN Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000000342027 563286624 /nfs/dbraw/zinc/28/66/24/563286624.db2.gz MBDKMTNWROYAPG-UHFFFAOYSA-N 0 0 347.443 4.184 50 0 EIAARN C=CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OCC)cc21 ZINC000000349918 563289051 /nfs/dbraw/zinc/28/90/51/563289051.db2.gz FOAIJGUCZVWILH-UHFFFAOYSA-N 0 0 336.391 4.204 50 0 biogenic EIAARN O=C1N(c2ccccc2)[C@@H](c2ccc(Br)cc2)C1(F)F ZINC000000350841 563289439 /nfs/dbraw/zinc/28/94/39/563289439.db2.gz YJYHIJKBJJDRHD-ZDUSSCGKSA-N 0 0 338.151 4.172 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C ZINC000000352749 563290142 /nfs/dbraw/zinc/29/01/42/563290142.db2.gz QHHDYPYDVOOPPP-MSOLQXFVSA-N 0 0 335.831 4.073 50 0 EIAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)OC2=O ZINC000000352814 563290145 /nfs/dbraw/zinc/29/01/45/563290145.db2.gz ZGDIQHPWMXXVQA-JKSUJKDBSA-N 0 0 342.222 4.054 50 0 EIAARN O=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)C[C@@H]1CCCO1 ZINC000000359165 563292282 /nfs/dbraw/zinc/29/22/82/563292282.db2.gz RTYHFZTTZLLCNX-NRFANRHFSA-N 0 0 335.447 4.385 50 0 EIAARN COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccccc2C)cc1Cl ZINC000000364951 563296027 /nfs/dbraw/zinc/29/60/27/563296027.db2.gz 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/nfs/dbraw/zinc/30/03/19/563300319.db2.gz WRLGZLUXEPUYJG-HXUWFJFHSA-N 0 0 335.407 4.162 50 0 EIAARN Cc1ccc(-c2nnc3sc(COc4ccccc4C)nn32)cc1 ZINC000000383170 563300634 /nfs/dbraw/zinc/30/06/34/563300634.db2.gz FQZAGQCOHXEYCG-UHFFFAOYSA-N 0 0 336.420 4.049 50 0 EIAARN Cc1nn(-c2ccccc2)c2nc3c(F)c(F)c(F)c(F)c3cc12 ZINC000000383908 563300900 /nfs/dbraw/zinc/30/09/00/563300900.db2.gz ZTOPJYUTNUVRAF-UHFFFAOYSA-N 0 0 331.272 4.439 50 0 EIAARN Cc1c(C(=O)Oc2cccc(Cl)c2C)cnn1-c1ccccc1 ZINC000000385357 563301922 /nfs/dbraw/zinc/30/19/22/563301922.db2.gz CIXLEMSPAPEIIC-UHFFFAOYSA-N 0 0 326.783 4.362 50 0 EIAARN Cc1ccc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)c(C)c1 ZINC000000385317 563301959 /nfs/dbraw/zinc/30/19/59/563301959.db2.gz IMVCIGHZMKWCEM-UHFFFAOYSA-N 0 0 338.411 4.200 50 0 EIAARN O=C(Nc1cc(Cl)ccc1Cl)OCc1ccc2c(c1)OCO2 ZINC000000396579 563304828 /nfs/dbraw/zinc/30/48/28/563304828.db2.gz RLSMXDZXKDAQKG-UHFFFAOYSA-N 0 0 340.162 4.471 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1 ZINC000000426629 563310661 /nfs/dbraw/zinc/31/06/61/563310661.db2.gz QMSPZJSLWAOMES-AWEZNQCLSA-N 0 0 340.423 4.281 50 0 EIAARN Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@H](c1ccc(C)cc1)C2 ZINC000000427722 563310794 /nfs/dbraw/zinc/31/07/94/563310794.db2.gz VXCDPSOOJALPSG-OAHLLOKOSA-N 0 0 325.408 4.109 50 0 EIAARN CCOC(=O)c1c(C=O)c2ccccc2n1Cc1ccccc1Cl ZINC000000429889 563311194 /nfs/dbraw/zinc/31/11/94/563311194.db2.gz VNQLEHKWRNWYCO-UHFFFAOYSA-N 0 0 341.794 4.332 50 0 EIAARN CCOC(=O)c1c(C=O)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000000429893 563311276 /nfs/dbraw/zinc/31/12/76/563311276.db2.gz CFJYZJUSIVKAJO-UHFFFAOYSA-N 0 0 341.794 4.332 50 0 EIAARN CC[C@@H]1CCc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)C1 ZINC000000433099 563311485 /nfs/dbraw/zinc/31/14/85/563311485.db2.gz SCOCKGQONUJONV-LLVKDONJSA-N 0 0 343.452 4.006 50 0 EIAARN Cc1c(C)c(C)c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c(C)c1C ZINC000000437038 563313324 /nfs/dbraw/zinc/31/33/24/563313324.db2.gz INZQJSGYYNTJNH-UHFFFAOYSA-N 0 0 344.842 4.233 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000000444613 563316398 /nfs/dbraw/zinc/31/63/98/563316398.db2.gz SKYMIPRUFZVPAX-SOFGYWHQSA-N 0 0 331.331 4.135 50 0 EIAARN CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl ZINC000000445660 563317033 /nfs/dbraw/zinc/31/70/33/563317033.db2.gz OIVHYHXOGOWUEM-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 ZINC000000453556 563321992 /nfs/dbraw/zinc/32/19/92/563321992.db2.gz NVAKLRAOYIZTGS-XNTDXEJSSA-N 0 0 344.414 4.474 50 0 EIAARN COc1ccc(CC(=O)Nc2c(Cl)cccc2Cl)cc1OC ZINC000000454888 563323301 /nfs/dbraw/zinc/32/33/01/563323301.db2.gz CDZBKFMWTYVEKC-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(C)c2)c1 ZINC000000456720 563324577 /nfs/dbraw/zinc/32/45/77/563324577.db2.gz LHBNHNPVFNCZLL-CYBMUJFWSA-N 0 0 342.464 4.341 50 0 EIAARN CN(C(=O)c1cccc(NC(=O)c2ccccc2)c1)C1CCCCC1 ZINC000000457726 563325226 /nfs/dbraw/zinc/32/52/26/563325226.db2.gz LEFVRPUACKZXFO-UHFFFAOYSA-N 0 0 336.435 4.344 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345.449 4.382 50 0 EIAARN Clc1ccc(Br)cc1-c1nc(-c2ccncc2)no1 ZINC000000621239 563362062 /nfs/dbraw/zinc/36/20/62/563362062.db2.gz FUWIMUYDFFIVTF-UHFFFAOYSA-N 0 0 336.576 4.215 50 0 EIAARN CC(=O)N[C@@H](c1ccc(C)cc1)c1c(OC(C)=O)ccc2ccccc21 ZINC000000856060 563364848 /nfs/dbraw/zinc/36/48/48/563364848.db2.gz KPOQXWVQYGORQU-QFIPXVFZSA-N 0 0 347.414 4.299 50 0 EIAARN CC(=O)N[C@H](c1ccc(C)cc1)c1c(OC(C)=O)ccc2ccccc21 ZINC000000856061 563364859 /nfs/dbraw/zinc/36/48/59/563364859.db2.gz KPOQXWVQYGORQU-JOCHJYFZSA-N 0 0 347.414 4.299 50 0 EIAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)c3cccs3)c12 ZINC000000858802 563364885 /nfs/dbraw/zinc/36/48/85/563364885.db2.gz CJPIEAUXYWNZFC-UHFFFAOYSA-N 0 0 328.389 4.335 50 0 EIAARN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1Cl ZINC000000859153 563365201 /nfs/dbraw/zinc/36/52/01/563365201.db2.gz QDDVSSFZCIUSJS-XNTDXEJSSA-N 0 0 327.767 4.002 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000001002197 563367694 /nfs/dbraw/zinc/36/76/94/563367694.db2.gz 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ZINC000002204689 563426999 /nfs/dbraw/zinc/42/69/99/563426999.db2.gz OURGENADILWNDO-SFHVURJKSA-N 0 0 328.408 4.335 50 0 EIAARN CC(=O)C[C@](O)(c1ccc2c(c1)c1ccccc1n2C)C(F)(F)F ZINC000002220717 563427388 /nfs/dbraw/zinc/42/73/88/563427388.db2.gz MSGSUQDUDXCKAI-KRWDZBQOSA-N 0 0 335.325 4.061 50 0 EIAARN CCCC[C@]1(c2ccccc2)NC(=S)N(c2ccc(C)cc2)N1 ZINC000002310749 563429092 /nfs/dbraw/zinc/42/90/92/563429092.db2.gz XAIDHRILHSJWHP-IBGZPJMESA-N 0 0 325.481 4.237 50 0 EIAARN Cc1cc(N2CCCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002334469 563429689 /nfs/dbraw/zinc/42/96/89/563429689.db2.gz MRDLFDKOGBTWEJ-UHFFFAOYSA-N 0 0 326.831 4.348 50 0 EIAARN Cc1cccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)c1 ZINC000002419398 563431983 /nfs/dbraw/zinc/43/19/83/563431983.db2.gz XEVHGWVKPXDCMN-MRXNPFEDSA-N 0 0 329.403 4.441 50 0 EIAARN Cn1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000002423532 563432064 /nfs/dbraw/zinc/43/20/64/563432064.db2.gz KEOHLLMOOUKYOC-GZTJUZNOSA-N 0 0 334.400 4.419 50 0 aggregator EIAARN CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2 ZINC000002499122 563434572 /nfs/dbraw/zinc/43/45/72/563434572.db2.gz FLJXFYGZLNWJDM-LBPRGKRZSA-N 0 0 331.437 4.254 50 0 EIAARN Cc1ccc(N2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)cc1 ZINC000002512744 563435283 /nfs/dbraw/zinc/43/52/83/563435283.db2.gz CYXIPNHUCGDWNK-UHFFFAOYSA-N 0 0 348.490 4.156 50 0 EIAARN Cc1ccc2oc(-c3ccc(Br)cc3)c(O)c(=O)c2c1 ZINC000002549354 563440478 /nfs/dbraw/zinc/44/04/78/563440478.db2.gz VYJMNNZFNJEWJN-UHFFFAOYSA-N 0 0 331.165 4.237 50 0 EIAARN Cn1c(COc2cccc(Cl)c2)c(Cl)c(=O)n1-c1ccccc1 ZINC000002561720 563441563 /nfs/dbraw/zinc/44/15/63/563441563.db2.gz ZYQDQIQEIPLFRE-UHFFFAOYSA-N 0 0 349.217 4.062 50 0 EIAARN CC(C)(C)OC(=O)n1cc(I)c2ccccc21 ZINC000002563797 563441892 /nfs/dbraw/zinc/44/18/92/563441892.db2.gz LOFWPZQNSUAMCV-UHFFFAOYSA-N 0 0 343.164 4.029 50 0 EIAARN Cc1cc(C(F)F)nn1CC(=O)Nc1cccc(Cl)c1Cl ZINC000002763390 563449739 /nfs/dbraw/zinc/44/97/39/563449739.db2.gz DSWLBWKWEGABLV-UHFFFAOYSA-N 0 0 334.153 4.075 50 0 EIAARN Cc1cc(C)n(C(=O)c2ccc(COc3cccc(Cl)c3)o2)n1 ZINC000002764480 563449788 /nfs/dbraw/zinc/44/97/88/563449788.db2.gz CCCYUGAHSZEGHM-UHFFFAOYSA-N 0 0 330.771 4.014 50 0 EIAARN COCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc21 ZINC000002774390 563450416 /nfs/dbraw/zinc/45/04/16/563450416.db2.gz CGYNUQKVJSVTBS-UHFFFAOYSA-N 0 0 348.446 4.285 50 0 EIAARN Cc1ccc2c(c1)c(=O)c(Br)c(C)n2Cc1ccccc1 ZINC000002813790 563452237 /nfs/dbraw/zinc/45/22/37/563452237.db2.gz QUYVJXLLFZFCKX-UHFFFAOYSA-N 0 0 342.236 4.429 50 0 EIAARN CCOc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1OCC ZINC000002819108 563452642 /nfs/dbraw/zinc/45/26/42/563452642.db2.gz LQOLLGKESGTXGH-UHFFFAOYSA-N 0 0 346.452 4.072 50 0 EIAARN Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(N)cc1 ZINC000002842101 563454676 /nfs/dbraw/zinc/45/46/76/563454676.db2.gz AEWXIDVRSMNRTB-UHFFFAOYSA-N 0 0 330.844 4.010 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1Cl ZINC000002864406 563457716 /nfs/dbraw/zinc/45/77/16/563457716.db2.gz HGUSAWBJOAZBST-UHFFFAOYSA-N 0 0 347.823 4.303 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)c1cc2c(s1)CCCCCC2 ZINC000002872588 563459057 /nfs/dbraw/zinc/45/90/57/563459057.db2.gz ZHCLXULMBGPQMT-UHFFFAOYSA-N 0 0 333.482 4.388 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1Cl ZINC000002873249 563459445 /nfs/dbraw/zinc/45/94/45/563459445.db2.gz OWILVWXBJKCZOO-UHFFFAOYSA-N 0 0 339.844 4.273 50 0 EIAARN CC(=O)Nc1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000002880081 563460416 /nfs/dbraw/zinc/46/04/16/563460416.db2.gz HUMZBSMIXUXDMC-ZDUSSCGKSA-N 0 0 328.437 4.073 50 0 EIAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000002886299 563461772 /nfs/dbraw/zinc/46/17/72/563461772.db2.gz KHUSZUDYRREQEA-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000002971909 563465060 /nfs/dbraw/zinc/46/50/60/563465060.db2.gz SXEKPDRDRXKZLC-CQSZACIVSA-N 0 0 339.435 4.246 50 0 EIAARN Cc1ccccc1OCC(=O)NCCSCc1cccc(Cl)c1 ZINC000002982954 563465641 /nfs/dbraw/zinc/46/56/41/563465641.db2.gz DWFDTYGKZAVWOY-UHFFFAOYSA-N 0 0 349.883 4.077 50 0 EIAARN COc1cc(C=O)ccc1OCCOc1cccc(Cl)c1Cl ZINC000002985161 563466447 /nfs/dbraw/zinc/46/64/47/563466447.db2.gz HHAQPNNTSAMJLR-UHFFFAOYSA-N 0 0 341.190 4.272 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000003087186 563471338 /nfs/dbraw/zinc/47/13/38/563471338.db2.gz KFVIADQVHIZTCC-UHFFFAOYSA-N 0 0 343.382 4.373 50 0 EIAARN COc1ccc2c3c(c(=O)oc2c1OCc1ccccc1)CCCC3 ZINC000003132217 563474102 /nfs/dbraw/zinc/47/41/02/563474102.db2.gz TULIVNKNJBRMND-UHFFFAOYSA-N 0 0 336.387 4.259 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2cccc3ccccc32)n1 ZINC000003163862 563475114 /nfs/dbraw/zinc/47/51/14/563475114.db2.gz FXIUWRHUNXGBBS-UHFFFAOYSA-N 0 0 329.812 4.257 50 0 aggregator EIAARN CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccc(OC)c1 ZINC000034794999 563480020 /nfs/dbraw/zinc/48/00/20/563480020.db2.gz KYSPVZFPPANYNE-UHFFFAOYSA-N 0 0 339.370 4.039 50 0 EIAARN CCn1nc(C(=O)N2CCC(C)CC2)cc1-c1ccc(Cl)s1 ZINC000034901088 563483542 /nfs/dbraw/zinc/48/35/42/563483542.db2.gz JQBNCMFSGCFDHQ-UHFFFAOYSA-N 0 0 337.876 4.157 50 0 EIAARN CCn1nc(C(=O)Nc2ccc(F)cc2)cc1-c1ccc(F)c(F)c1 ZINC000034901840 563483959 /nfs/dbraw/zinc/48/39/59/563483959.db2.gz AUHIMILFDZBNFN-UHFFFAOYSA-N 0 0 345.324 4.240 50 0 EIAARN CCn1nc(C(=O)NCc2ccccc2)cc1-c1cccc(Cl)c1 ZINC000034901607 563484022 /nfs/dbraw/zinc/48/40/22/563484022.db2.gz CFZGZXSXKKROCE-UHFFFAOYSA-N 0 0 339.826 4.153 50 0 EIAARN O=C(Nc1c(-c2ccc(F)c(F)c2)nc2ccccn21)C1CCCC1 ZINC000034914935 563484199 /nfs/dbraw/zinc/48/41/99/563484199.db2.gz IRDCMLLEIZFFLO-UHFFFAOYSA-N 0 0 341.361 4.408 50 0 EIAARN Nc1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)s1 ZINC000003517424 563485885 /nfs/dbraw/zinc/48/58/85/563485885.db2.gz OYSFEJJIPQTUHJ-UHFFFAOYSA-N 0 0 333.482 4.143 50 0 EIAARN COc1cc(N)c(C(c2ccc(C)o2)c2ccc(C)o2)cc1OC ZINC000003846761 563488978 /nfs/dbraw/zinc/48/89/78/563488978.db2.gz PFPMZAKBPHIUTA-UHFFFAOYSA-N 0 0 327.380 4.269 50 0 biogenic EIAARN CC(=O)CCc1oc2ccc(NC(C)=O)cc2c1-c1ccc(C)o1 ZINC000003846774 563489025 /nfs/dbraw/zinc/48/90/25/563489025.db2.gz RUPPQKVARAUKRQ-UHFFFAOYSA-N 0 0 325.364 4.481 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)c1 ZINC000004841637 563513141 /nfs/dbraw/zinc/51/31/41/563513141.db2.gz AOUPUYHFJXOYJB-UHFFFAOYSA-N 0 0 346.430 4.307 50 0 EIAARN COc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn32)cc1 ZINC000005346273 563527688 /nfs/dbraw/zinc/52/76/88/563527688.db2.gz DICKJKPSVCOAAT-KPKJPENVSA-N 0 0 334.404 4.032 50 0 EIAARN N=c1oc2ccccc2cc1-c1nc2cc(Br)ccc2[nH]1 ZINC000005350942 563528062 /nfs/dbraw/zinc/52/80/62/563528062.db2.gz VTVUQFJBLGJXDW-UHFFFAOYSA-N 0 0 340.180 4.218 50 0 EIAARN CC1(C)Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 ZINC000005500019 563535334 /nfs/dbraw/zinc/53/53/34/563535334.db2.gz RWOGTWULDJEHBL-ZDUSSCGKSA-N 0 0 347.212 4.322 50 0 EIAARN CCCCCC[C@@H](C)OC(=O)CCn1c2ccccc2sc1=O ZINC000005502401 563535793 /nfs/dbraw/zinc/53/57/93/563535793.db2.gz XUYFLVUMCJHGRW-CQSZACIVSA-N 0 0 335.469 4.355 50 0 EIAARN Cc1ccc(OCc2nn3c(nnc3-c3ccccc3C)s2)cc1 ZINC000005561275 563539934 /nfs/dbraw/zinc/53/99/34/563539934.db2.gz TWQVOMLPIYRKLW-UHFFFAOYSA-N 0 0 336.420 4.049 50 0 EIAARN CC(C)COc1cccc(C(=O)Nc2ccc(Br)cn2)c1 ZINC000005844523 563552136 /nfs/dbraw/zinc/55/21/36/563552136.db2.gz LRAFBPHSAXNDNG-UHFFFAOYSA-N 0 0 349.228 4.131 50 0 EIAARN CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(F)cc2F)c1 ZINC000071902611 563555452 /nfs/dbraw/zinc/55/54/52/563555452.db2.gz MQQRXZKTGCRDIP-RYUDHWBXSA-N 0 0 334.366 4.111 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1 ZINC000006010568 563556935 /nfs/dbraw/zinc/55/69/35/563556935.db2.gz JDZAMXMKWJLERB-AWEZNQCLSA-N 0 0 348.402 4.204 50 0 EIAARN CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2OC)C1 ZINC000006119499 563559240 /nfs/dbraw/zinc/55/92/40/563559240.db2.gz POSOZSYOCRBYLT-LLVKDONJSA-N 0 0 330.453 4.106 50 0 EIAARN O=C(Nc1ccc(Br)cc1Cl)c1ccccc1F ZINC000006260085 563563024 /nfs/dbraw/zinc/56/30/24/563563024.db2.gz QAYWHDZVGZIDMW-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(Cl)c3)nc2c1 ZINC000006506593 563570802 /nfs/dbraw/zinc/57/08/02/563570802.db2.gz MOSQQUOPYAXKQP-UHFFFAOYSA-N 0 0 331.828 4.256 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(Cl)c3cccnc23)cc1OC ZINC000042664174 563574384 /nfs/dbraw/zinc/57/43/84/563574384.db2.gz SLDXPEKLXLQGBB-UHFFFAOYSA-N 0 0 342.782 4.158 50 0 EIAARN Cc1ccccc1C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000006697142 563578223 /nfs/dbraw/zinc/57/82/23/563578223.db2.gz NXTZESPNYGCASQ-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN O=C(Nc1cccc2ccccc21)c1ccc(-n2cnnc2)cc1Cl ZINC000006701940 563580111 /nfs/dbraw/zinc/58/01/11/563580111.db2.gz HMUMLNXBFWKWSR-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000006715729 563582322 /nfs/dbraw/zinc/58/23/22/563582322.db2.gz IERMBPUJXAEGQS-UHFFFAOYSA-N 0 0 347.821 4.142 50 0 EIAARN CCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000006752574 563585289 /nfs/dbraw/zinc/58/52/89/563585289.db2.gz RWAWZFGGQDUXKA-UHFFFAOYSA-N 0 0 327.472 4.075 50 0 EIAARN CCOC(=O)c1c(CNC(C)(C)c2nccs2)oc2ccccc21 ZINC000071911968 563591376 /nfs/dbraw/zinc/59/13/76/563591376.db2.gz NTZOGTPSRUPGQD-UHFFFAOYSA-N 0 0 344.436 4.091 50 0 EIAARN O=Cc1ccc(-c2cc(Br)ccc2Br)o1 ZINC000006925712 563591652 /nfs/dbraw/zinc/59/16/52/563591652.db2.gz CXDBOCHHFYJLDF-UHFFFAOYSA-N 0 0 329.975 4.284 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CCCOc1ccccc1 ZINC000002645855 563597798 /nfs/dbraw/zinc/59/77/98/563597798.db2.gz LAMAGKHKERFRJR-UHFFFAOYSA-N 0 0 333.815 4.455 50 0 EIAARN Cc1cccc(-c2nnn3c2nc(N2CCCCC2)c2ccccc23)c1 ZINC000002694161 563602139 /nfs/dbraw/zinc/60/21/39/563602139.db2.gz LMJZTXKZAITUMY-UHFFFAOYSA-N 0 0 343.434 4.243 50 0 EIAARN Cc1cccc(-c2ccc(CNC(=O)c3ccc[nH]c3=S)cc2)c1 ZINC000071914188 563602894 /nfs/dbraw/zinc/60/28/94/563602894.db2.gz IFNBKPVTGJZPJK-UHFFFAOYSA-N 0 0 334.444 4.276 50 0 EIAARN CCc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1 ZINC000002713340 563603137 /nfs/dbraw/zinc/60/31/37/563603137.db2.gz RCPVAIYOFRYXLX-UHFFFAOYSA-N 0 0 334.423 4.007 50 0 EIAARN COc1ccc(OC)c2sc(NC(=O)/C=C/c3cccs3)nc21 ZINC000002723957 563606341 /nfs/dbraw/zinc/60/63/41/563606341.db2.gz OUCFXRVBPVVVQB-VMPITWQZSA-N 0 0 346.433 4.027 50 0 EIAARN O=C1c2cccc(OCc3ccccc3)c2CCN1Cc1ccccc1 ZINC000002716319 563607071 /nfs/dbraw/zinc/60/70/71/563607071.db2.gz AHLSTILLZPQSFJ-UHFFFAOYSA-N 0 0 343.426 4.464 50 0 EIAARN Brc1cccnc1SCc1nnc(-c2ccccc2)o1 ZINC000071914325 563609096 /nfs/dbraw/zinc/60/90/96/563609096.db2.gz BSSDNEHBIFYBCU-UHFFFAOYSA-N 0 0 348.225 4.186 50 0 EIAARN Cc1nc2ccccc2n1CCc1noc([C@H](C)c2cccs2)n1 ZINC000097377771 563609508 /nfs/dbraw/zinc/60/95/08/563609508.db2.gz LXMWJOIPZFKMCH-GFCCVEGCSA-N 0 0 338.436 4.184 50 0 EIAARN CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cc(C)ccc1C ZINC000007759977 563613523 /nfs/dbraw/zinc/61/35/23/563613523.db2.gz KBMMBEDGSJMUEX-UHFFFAOYSA-N 0 0 349.434 4.324 50 0 EIAARN CCn1ncc(CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000002765817 563613780 /nfs/dbraw/zinc/61/37/80/563613780.db2.gz IQGKZMHUGHXLSS-UHFFFAOYSA-N 0 0 341.242 4.182 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1 ZINC000071914717 563614232 /nfs/dbraw/zinc/61/42/32/563614232.db2.gz YESPLMVEYOSPGE-UHFFFAOYSA-N 0 0 338.388 4.390 50 0 EIAARN COc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000007944283 563617895 /nfs/dbraw/zinc/61/78/95/563617895.db2.gz IUEGFBAWSSMXSL-UHFFFAOYSA-N 0 0 331.371 4.179 50 0 EIAARN Cc1ccsc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000010593076 563621347 /nfs/dbraw/zinc/62/13/47/563621347.db2.gz BTXOOSBLPZZFCO-UHFFFAOYSA-N 0 0 334.828 4.089 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000071916297 563621456 /nfs/dbraw/zinc/62/14/56/563621456.db2.gz GHMMDWQWKCEOTQ-IBGZPJMESA-N 0 0 349.438 4.272 50 0 EIAARN COCCNc1nc(-c2cc(C)n(Cc3ccccc3)c2C)cs1 ZINC000007843531 563623932 /nfs/dbraw/zinc/62/39/32/563623932.db2.gz OQFDYFBPBGDMTQ-UHFFFAOYSA-N 0 0 341.480 4.335 50 0 EIAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1 ZINC000008534215 563631608 /nfs/dbraw/zinc/63/16/08/563631608.db2.gz JIXCUFQQQNRGJI-INIZCTEOSA-N 0 0 344.414 4.430 50 0 EIAARN CN(C(=O)c1cccc(OCCOc2ccccc2)c1)c1ccccc1 ZINC000008563529 563632559 /nfs/dbraw/zinc/63/25/59/563632559.db2.gz IYTGNFBMRDDISB-UHFFFAOYSA-N 0 0 347.414 4.421 50 0 EIAARN CCc1cccc(CC)c1NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000008744840 563639080 /nfs/dbraw/zinc/63/90/80/563639080.db2.gz KYDWFLYHHKJINZ-UHFFFAOYSA-N 0 0 342.464 4.474 50 0 EIAARN Cc1ccc2c(c1)N(C(=O)CSc1ncccn1)C(C)(C)C=C2C ZINC000009288707 563643453 /nfs/dbraw/zinc/64/34/53/563643453.db2.gz WRIGZVHVPZHCMV-UHFFFAOYSA-N 0 0 339.464 4.106 50 0 EIAARN CC(C)c1nc2cc(C(=O)NCc3ccc(F)cc3F)ccc2o1 ZINC000012577828 563663852 /nfs/dbraw/zinc/66/38/52/563663852.db2.gz VFOYSIWMUAVYEE-UHFFFAOYSA-N 0 0 330.334 4.159 50 0 EIAARN COCc1ccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012580273 563663897 /nfs/dbraw/zinc/66/38/97/563663897.db2.gz XKYKDEIQEXVBEH-OAHLLOKOSA-N 0 0 347.842 4.174 50 0 EIAARN Cc1c([C@@H](C)NC(=O)c2cccs2)cnn1-c1ccccc1C ZINC000012714320 563668923 /nfs/dbraw/zinc/66/89/23/563668923.db2.gz QNFIRLDJVUZTML-CYBMUJFWSA-N 0 0 325.437 4.042 50 0 EIAARN CC(C)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032623241 563669744 /nfs/dbraw/zinc/66/97/44/563669744.db2.gz PBRNDQCPARCMMR-UHFFFAOYSA-N 0 0 325.343 4.137 50 0 EIAARN CC(C)n1ncc2cc(C(=O)Nc3cccc4c3CCCC4)cnc21 ZINC000012825721 563675266 /nfs/dbraw/zinc/67/52/66/563675266.db2.gz JEIKMVBMKAADKK-UHFFFAOYSA-N 0 0 334.423 4.143 50 0 EIAARN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 ZINC000032656458 563676796 /nfs/dbraw/zinc/67/67/96/563676796.db2.gz OTROWJPKZNZGGX-RDTXWAMCSA-N 0 0 328.456 4.124 50 0 EIAARN Cc1ccccc1-c1cc(C(=O)N2CCCC2)c2cnn(C(C)C)c2n1 ZINC000012973489 563679868 /nfs/dbraw/zinc/67/98/68/563679868.db2.gz DPGQCGINMOAGDH-UHFFFAOYSA-N 0 0 348.450 4.224 50 0 EIAARN CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc3cccnc32)s1 ZINC000012973177 563679879 /nfs/dbraw/zinc/67/98/79/563679879.db2.gz BKXNITARHIZOFN-UHFFFAOYSA-N 0 0 330.796 4.405 50 0 EIAARN CCOc1ncccc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000012976678 563680539 /nfs/dbraw/zinc/68/05/39/563680539.db2.gz YBYALGCGCXKVPW-CQSZACIVSA-N 0 0 348.855 4.101 50 0 EIAARN CCCCc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000012976302 563680564 /nfs/dbraw/zinc/68/05/64/563680564.db2.gz ATJHYDJTMMMLHW-UHFFFAOYSA-N 0 0 336.435 4.408 50 0 EIAARN C[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000012979272 563680946 /nfs/dbraw/zinc/68/09/46/563680946.db2.gz GHGRDEVHEWVBOP-HNNXBMFYSA-N 0 0 331.419 4.241 50 0 EIAARN Cc1ccc(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000012978631 563680982 /nfs/dbraw/zinc/68/09/82/563680982.db2.gz GYDDJHJKDJHAAT-IBGZPJMESA-N 0 0 340.423 4.285 50 0 EIAARN COc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 ZINC000012992145 563682788 /nfs/dbraw/zinc/68/27/88/563682788.db2.gz CABBMDZSXBQVBO-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN Cc1nc(-c2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cs1 ZINC000012993591 563683021 /nfs/dbraw/zinc/68/30/21/563683021.db2.gz XGMRWCKRNUCCMG-UHFFFAOYSA-N 0 0 325.418 4.084 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1ccc(OCc2cscn2)cc1 ZINC000012997803 563683806 /nfs/dbraw/zinc/68/38/06/563683806.db2.gz DRQBFMIHFDZNEZ-UHFFFAOYSA-N 0 0 328.368 4.114 50 0 EIAARN Cc1cccc(C)c1NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000012999139 563684543 /nfs/dbraw/zinc/68/45/43/563684543.db2.gz BERAWIPNRQDTDY-ZDUSSCGKSA-N 0 0 341.382 4.150 50 0 EIAARN O=c1[nH]c2ccccc2n1CCCSc1ccc(F)c(Cl)c1 ZINC000013004421 563685352 /nfs/dbraw/zinc/68/53/52/563685352.db2.gz DHUYVMQJMBRUBR-UHFFFAOYSA-N 0 0 336.819 4.305 50 0 EIAARN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000013055724 563686309 /nfs/dbraw/zinc/68/63/09/563686309.db2.gz OIWCBYBVRZEGJY-CHWSQXEVSA-N 0 0 341.282 4.444 50 0 EIAARN CCOc1ccc([C@@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)cc1 ZINC000013132340 563690579 /nfs/dbraw/zinc/69/05/79/563690579.db2.gz OKCWYSCYQJCNJK-OALUTQOASA-N 0 0 334.423 4.132 50 0 EIAARN C[C@]12CC3CC(C(=O)Nc4ccc5c(c4)OCCO5)(C1)C[C@@](C)(C3)C2 ZINC000013301027 563694158 /nfs/dbraw/zinc/69/41/58/563694158.db2.gz CYNDAYHXAMVWJZ-DELCKGKKSA-N 0 0 341.451 4.393 50 0 EIAARN COc1cccc([C@H](C)NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000013328725 563696046 /nfs/dbraw/zinc/69/60/46/563696046.db2.gz PLGJJDQVBNZIDT-ZDUSSCGKSA-N 0 0 336.391 4.150 50 0 EIAARN Cc1cc(NC(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)no1 ZINC000013331695 563696693 /nfs/dbraw/zinc/69/66/93/563696693.db2.gz BMRAILCGQQNBIJ-UHFFFAOYSA-N 0 0 329.183 4.086 50 0 EIAARN Cc1ccccc1-c1nnc(NC(=O)Nc2ccccc2F)s1 ZINC000013550365 563701463 /nfs/dbraw/zinc/70/14/63/563701463.db2.gz TVCXJCSYKNVSDJ-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(F)cc2C)o1 ZINC000013640995 563705948 /nfs/dbraw/zinc/70/59/48/563705948.db2.gz BVZMILZKZHZUGV-UHFFFAOYSA-N 0 0 328.343 4.175 50 0 EIAARN Cc1noc(C)c1Cc1ccc(C(=O)Nc2cc(F)ccc2F)o1 ZINC000013641030 563705978 /nfs/dbraw/zinc/70/59/78/563705978.db2.gz HCEMGSSESOBRNB-UHFFFAOYSA-N 0 0 332.306 4.006 50 0 EIAARN O=C(NC1CC1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641506 563705980 /nfs/dbraw/zinc/70/59/80/563705980.db2.gz NVNIYCYUTVGXSL-UHFFFAOYSA-N 0 0 345.358 4.042 50 0 EIAARN O=C(N[C@@H]1CCOc2ccccc21)C1(c2ccc(F)cc2)CCCC1 ZINC000032722329 563707540 /nfs/dbraw/zinc/70/75/40/563707540.db2.gz LZQJTTLYUKTRSR-GOSISDBHSA-N 0 0 339.410 4.278 50 0 EIAARN COc1cccc(CCCNC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000013669030 563708638 /nfs/dbraw/zinc/70/86/38/563708638.db2.gz XWWGFCASQKOQII-UHFFFAOYSA-N 0 0 338.234 4.365 50 0 EIAARN COc1cccc(-c2nc(C)c(C(=O)Nc3ncc(C)s3)s2)c1 ZINC000013690089 563712262 /nfs/dbraw/zinc/71/22/62/563712262.db2.gz RTFBDDUTIYTWEE-UHFFFAOYSA-N 0 0 345.449 4.144 50 0 EIAARN Clc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CCCC3 ZINC000013693320 563712966 /nfs/dbraw/zinc/71/29/66/563712966.db2.gz PTJANLZAQYICGF-UHFFFAOYSA-N 0 0 330.800 4.131 50 0 EIAARN Cc1c(C)n(-c2cc(C)ccn2)c2ncnc(NCc3ccccc3)c12 ZINC000013723244 563717140 /nfs/dbraw/zinc/71/71/40/563717140.db2.gz ABRYFXBNYBGSBT-UHFFFAOYSA-N 0 0 343.434 4.353 50 0 EIAARN Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)no1 ZINC000032736073 563722514 /nfs/dbraw/zinc/72/25/14/563722514.db2.gz SJOBATPHLCTUHA-UHFFFAOYSA-N 0 0 337.109 4.144 50 0 EIAARN CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000013856230 563726878 /nfs/dbraw/zinc/72/68/78/563726878.db2.gz CBZYFRWADHZTIY-UHFFFAOYSA-N 0 0 348.226 4.099 50 0 EIAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc3cn[nH]c32)cc1 ZINC000032754588 563728057 /nfs/dbraw/zinc/72/80/57/563728057.db2.gz PWWRYJJEQXLRLY-IBGZPJMESA-N 0 0 349.434 4.329 50 0 EIAARN Cc1sc(-c2ccco2)nc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000032772202 563731288 /nfs/dbraw/zinc/73/12/88/563731288.db2.gz UTRUHEFGBSVKRK-UHFFFAOYSA-N 0 0 342.464 4.410 50 0 EIAARN C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1NCc1ccco1 ZINC000013943811 563732063 /nfs/dbraw/zinc/73/20/63/563732063.db2.gz DKJYZTVZGIUPOS-YWZLYKJASA-N 0 0 336.435 4.169 50 0 EIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1F ZINC000013961327 563733540 /nfs/dbraw/zinc/73/35/40/563733540.db2.gz HYBRSHWOXBYFNB-UHFFFAOYSA-N 0 0 334.753 4.072 50 0 EIAARN O=C(NC1CC1)c1ccc(SCc2ccc(F)cc2Cl)nc1 ZINC000032779169 563734240 /nfs/dbraw/zinc/73/42/40/563734240.db2.gz RDXLNDSGOXLJGP-UHFFFAOYSA-N 0 0 336.819 4.059 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)COc2cc(C)cc(C(C)C)c2)c1 ZINC000014095442 563740441 /nfs/dbraw/zinc/74/04/41/563740441.db2.gz LKIABFWTQAAHGH-UHFFFAOYSA-N 0 0 340.423 4.094 50 0 EIAARN Cc1ccsc1CN(C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000014115048 563742051 /nfs/dbraw/zinc/74/20/51/563742051.db2.gz CXIWLBDIIBUALA-NSHDSACASA-N 0 0 347.509 4.164 50 0 EIAARN Cc1cccc(NC(=O)N(C)Cc2ccc(Br)s2)c1 ZINC000014123404 563743134 /nfs/dbraw/zinc/74/31/34/563743134.db2.gz PBIKRHVQCXFKPC-UHFFFAOYSA-N 0 0 339.258 4.483 50 0 EIAARN CN(Cc1ccc(F)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000014128536 563743589 /nfs/dbraw/zinc/74/35/89/563743589.db2.gz MDZBSEGCTGDDNG-UHFFFAOYSA-N 0 0 349.409 4.161 50 0 EIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)c(Cl)c1 ZINC000014136835 563744031 /nfs/dbraw/zinc/74/40/31/563744031.db2.gz QLAFECYETZDXEZ-UHFFFAOYSA-N 0 0 347.827 4.331 50 0 EIAARN Cc1noc2nc(C)cc(C(=O)Nc3cccc(C(F)(F)F)c3)c12 ZINC000014179949 563747383 /nfs/dbraw/zinc/74/73/83/563747383.db2.gz VECNAMKFLDKAMZ-UHFFFAOYSA-N 0 0 335.285 4.111 50 0 EIAARN COc1ccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 ZINC000014180888 563747435 /nfs/dbraw/zinc/74/74/35/563747435.db2.gz QBRZQVGCUJCSTF-UHFFFAOYSA-N 0 0 335.359 4.410 50 0 EIAARN CCCc1nnc(NC(=O)c2cc3ccccc3cc2OCC)s1 ZINC000014184440 563748097 /nfs/dbraw/zinc/74/80/97/563748097.db2.gz OPEWSUONYVUBIL-UHFFFAOYSA-N 0 0 341.436 4.295 50 0 EIAARN Cc1cc(CS[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)on1 ZINC000014196956 563749327 /nfs/dbraw/zinc/74/93/27/563749327.db2.gz AONSYUWWWJKRKF-SECBINFHSA-N 0 0 328.796 4.036 50 0 EIAARN CSc1ccc(C(=O)c2cc3ccccc3o2)cc1NC(C)=O ZINC000014198225 563749679 /nfs/dbraw/zinc/74/96/79/563749679.db2.gz CVLUZVPBYKSASD-UHFFFAOYSA-N 0 0 325.389 4.344 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC000014209308 563750785 /nfs/dbraw/zinc/75/07/85/563750785.db2.gz XFHWAQJDIAHPLG-INIZCTEOSA-N 0 0 333.840 4.313 50 0 EIAARN Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000032818800 563752109 /nfs/dbraw/zinc/75/21/09/563752109.db2.gz PUBHGGXWPLSYAS-HXUWFJFHSA-N 0 0 345.446 4.047 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000014239682 563753569 /nfs/dbraw/zinc/75/35/69/563753569.db2.gz GLIRPXRBFFKAHU-LLVKDONJSA-N 0 0 341.338 4.100 50 0 EIAARN COc1cccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)c1 ZINC000014244078 563754277 /nfs/dbraw/zinc/75/42/77/563754277.db2.gz JRIALBJJGRYEDU-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000014267881 563756791 /nfs/dbraw/zinc/75/67/91/563756791.db2.gz PTHBKOGFLCJROI-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN COc1ccccc1-c1cc(C(=O)Nc2ccc3ccccc3n2)no1 ZINC000032830295 563759285 /nfs/dbraw/zinc/75/92/85/563759285.db2.gz BANPYECHTLYXLD-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN O=C(Nc1ccnn1C1CCCC1)c1ccc(Br)cc1 ZINC000014514387 563760001 /nfs/dbraw/zinc/76/00/01/563760001.db2.gz JPJSIWJTPFPXKZ-UHFFFAOYSA-N 0 0 334.217 4.013 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc4cccnc43)cc2)n1 ZINC000014517515 563760078 /nfs/dbraw/zinc/76/00/78/563760078.db2.gz UQKFNRDFGYVNEQ-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN O=C(NCc1ccc(C(F)(F)F)cc1)N[C@H]1CCc2ccccc21 ZINC000032843837 563761606 /nfs/dbraw/zinc/76/16/06/563761606.db2.gz TYFPVFLFTLXLEF-INIZCTEOSA-N 0 0 334.341 4.192 50 0 EIAARN C[C@H]1Cc2ccccc2N1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000014670657 563762696 /nfs/dbraw/zinc/76/26/96/563762696.db2.gz ULSUXBGXGCDZRB-LBPRGKRZSA-N 0 0 325.799 4.341 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccccc2OC(F)(F)F)N1C1CC1 ZINC000032854068 563763156 /nfs/dbraw/zinc/76/31/56/563763156.db2.gz NFFJFMAIRRXPDB-INIZCTEOSA-N 0 0 348.324 4.314 50 0 EIAARN Cc1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000014737971 563763851 /nfs/dbraw/zinc/76/38/51/563763851.db2.gz AVVDJBYGRLMUQZ-SIHNGCNOSA-N 0 0 327.468 4.095 50 0 EIAARN Cc1ccsc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000004551549 563772281 /nfs/dbraw/zinc/77/22/81/563772281.db2.gz DZLXCOCRRVUQCE-RIYZIHGNSA-N 0 0 333.409 4.432 50 0 EIAARN CCOc1ccc(C[C@@H]2c3cccc(C)c3NC2=O)cc1OCC ZINC000015017597 563772965 /nfs/dbraw/zinc/77/29/65/563772965.db2.gz IOJNXBDBTOHAHP-MRXNPFEDSA-N 0 0 325.408 4.071 50 0 EIAARN Cc1cc2c(c(C)c1)NC(=O)[C@@H]2Cc1ccc(Br)cc1 ZINC000015017963 563773276 /nfs/dbraw/zinc/77/32/76/563773276.db2.gz ZELBFQKXCZPBHT-OAHLLOKOSA-N 0 0 330.225 4.344 50 0 EIAARN Cc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O ZINC000015019150 563773592 /nfs/dbraw/zinc/77/35/92/563773592.db2.gz PBSLVPUATYUUDN-MHWRWJLKSA-N 0 0 327.380 4.371 50 0 EIAARN CC[C@H]1c2ccsc2CCN1Cc1cc(C(C)=O)ccc1OC ZINC000015037425 563773871 /nfs/dbraw/zinc/77/38/71/563773871.db2.gz RIJSKCDRZXILFA-KRWDZBQOSA-N 0 0 329.465 4.469 50 0 EIAARN Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc[nH]1 ZINC000015073766 563776020 /nfs/dbraw/zinc/77/60/20/563776020.db2.gz BEPARHBMLVMSSX-OAQYLSRUSA-N 0 0 346.409 4.178 50 0 EIAARN CC(C)Cc1ccc([C@H](C)NC(=O)CN(C)Cc2ccsc2)cc1 ZINC000015370668 563783964 /nfs/dbraw/zinc/78/39/64/563783964.db2.gz HYYOJYIKLANYCP-INIZCTEOSA-N 0 0 344.524 4.256 50 0 EIAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc2c(s1)CCC2 ZINC000015636969 563789177 /nfs/dbraw/zinc/78/91/77/563789177.db2.gz BRLXEKWDGGZQDX-UHFFFAOYSA-N 0 0 341.461 4.316 50 0 EIAARN COc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000015649368 563789511 /nfs/dbraw/zinc/78/95/11/563789511.db2.gz QWIHSJHTLQIQSC-UHFFFAOYSA-N 0 0 347.414 4.307 50 0 EIAARN COc1ccc(-c2nc(C(=O)N[C@H]3CCCC[C@H]3C)cs2)cc1 ZINC000015662393 563790037 /nfs/dbraw/zinc/79/00/37/563790037.db2.gz XKNCWDXFNUNFLB-DOMZBBRYSA-N 0 0 330.453 4.127 50 0 EIAARN COc1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)cc1 ZINC000015669866 563790310 /nfs/dbraw/zinc/79/03/10/563790310.db2.gz LYARMAVUJLTYAR-UHFFFAOYSA-N 0 0 333.391 4.329 50 0 EIAARN Cc1ccc(-c2nonc2NC(=O)Cc2ccc(Cl)cc2)cc1C ZINC000015670754 563790321 /nfs/dbraw/zinc/79/03/21/563790321.db2.gz RLFLZARTKWBFFW-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1F ZINC000015709409 563790718 /nfs/dbraw/zinc/79/07/18/563790718.db2.gz BAKBVKXIIOIRPP-SNVBAGLBSA-N 0 0 325.742 4.333 50 0 EIAARN CCn1c2ccccc2nc1SCCOc1ccccc1OC ZINC000015833319 563793660 /nfs/dbraw/zinc/79/36/60/563793660.db2.gz MHHJDAZRYWONQB-UHFFFAOYSA-N 0 0 328.437 4.236 50 0 EIAARN Cc1ccc(CSc2nc(=O)n(C3CCCC3)c3c2CCC3)cc1 ZINC000015840366 563795560 /nfs/dbraw/zinc/79/55/60/563795560.db2.gz JKWCSQXNBVYHRF-UHFFFAOYSA-N 0 0 340.492 4.448 50 0 EIAARN Cc1nc2ccccc2n1C[C@H](O)COc1cc(C)c(Cl)c(C)c1 ZINC000015860728 563797009 /nfs/dbraw/zinc/79/70/09/563797009.db2.gz UAIYXNYIRWVPNX-HNNXBMFYSA-N 0 0 344.842 4.055 50 0 EIAARN O=S(=O)(c1ccc(F)cc1)N1CCCCC[C@@H]1c1cccs1 ZINC000015866703 563797380 /nfs/dbraw/zinc/79/73/80/563797380.db2.gz IMBFEBFUEYDHPD-OAHLLOKOSA-N 0 0 339.457 4.193 50 0 EIAARN Cc1ccccc1S(=O)(=O)N1CCCCC[C@H]1c1cccs1 ZINC000015866826 563797868 /nfs/dbraw/zinc/79/78/68/563797868.db2.gz QQGLXWQPZFKAMT-HNNXBMFYSA-N 0 0 335.494 4.363 50 0 EIAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCC2CCCCC2)c1 ZINC000015911427 563799587 /nfs/dbraw/zinc/79/95/87/563799587.db2.gz KNUCQXDOZLDUQA-UHFFFAOYSA-N 0 0 343.876 4.043 50 0 EIAARN CCCNC(=S)N1CC=C(c2c[nH]c3c2cccc3CC)CC1 ZINC000032909111 563800405 /nfs/dbraw/zinc/80/04/05/563800405.db2.gz IBLLVMZPAMOVMI-UHFFFAOYSA-N 0 0 327.497 4.104 50 0 EIAARN O=C(Nc1ccc(Cl)c2ncccc12)c1cnn(-c2ccccc2)c1 ZINC000032909749 563802326 /nfs/dbraw/zinc/80/23/26/563802326.db2.gz TVYLZNKUIKFKHD-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000016047218 563802796 /nfs/dbraw/zinc/80/27/96/563802796.db2.gz YPYUVYAWFWKEDO-LJQANCHMSA-N 0 0 347.462 4.498 50 0 EIAARN CCCC[C@@H](CC)C(=O)NCCCCNC(=O)[C@@H](CC)CCCC ZINC000016247039 563806847 /nfs/dbraw/zinc/80/68/47/563806847.db2.gz QRZVUHFUVORLGW-HDICACEKSA-N 0 0 340.552 4.432 50 0 EIAARN Cc1ccc(OCC(=O)N(Cc2ccccn2)c2ccccc2)cc1 ZINC000016265110 563807052 /nfs/dbraw/zinc/80/70/52/563807052.db2.gz QZWCECLHUCXHGM-UHFFFAOYSA-N 0 0 332.403 4.002 50 0 EIAARN O=C(Nc1ccc(F)cc1F)Nc1ccccc1Br ZINC000016450387 563812071 /nfs/dbraw/zinc/81/20/71/563812071.db2.gz NCDFWBQYXLQYDZ-UHFFFAOYSA-N 0 0 327.128 4.371 50 0 EIAARN COc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000016517569 563814010 /nfs/dbraw/zinc/81/40/10/563814010.db2.gz VSDQWZIHHAOYNI-UHFFFAOYSA-N 0 0 344.461 4.119 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C ZINC000016580571 563815488 /nfs/dbraw/zinc/81/54/88/563815488.db2.gz IPCYWJJXAXFHGI-UHFFFAOYSA-N 0 0 336.435 4.182 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2csc(C(C)C)c2)CC1 ZINC000016605819 563817322 /nfs/dbraw/zinc/81/73/22/563817322.db2.gz GTIIPVDWFGTSEJ-UHFFFAOYSA-N 0 0 328.481 4.142 50 0 EIAARN O=C(NCc1ccccc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000016647488 563818571 /nfs/dbraw/zinc/81/85/71/563818571.db2.gz MXEGPTCOKYLVPF-UHFFFAOYSA-N 0 0 339.398 4.227 50 0 EIAARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000016648210 563819000 /nfs/dbraw/zinc/81/90/00/563819000.db2.gz OHIQESGUBGGREE-UHFFFAOYSA-N 0 0 342.487 4.027 50 0 EIAARN CC(C)(C)OC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000016698776 563821512 /nfs/dbraw/zinc/82/15/12/563821512.db2.gz RIZMHDANSJWNSI-UHFFFAOYSA-N 0 0 339.439 4.129 50 0 EIAARN O=C(NCc1csc(Br)c1)c1ccc(Cl)s1 ZINC000032923022 563825589 /nfs/dbraw/zinc/82/55/89/563825589.db2.gz IKZFYCNAIAIYKG-UHFFFAOYSA-N 0 0 336.663 4.156 50 0 EIAARN CN1C(=O)Cc2cc(-c3csc(NC4CCCCC4)n3)ccc21 ZINC000016939776 563826593 /nfs/dbraw/zinc/82/65/93/563826593.db2.gz UCNWPQZYBLLJTC-UHFFFAOYSA-N 0 0 327.453 4.074 50 0 EIAARN CCCc1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cs1 ZINC000017068624 563832351 /nfs/dbraw/zinc/83/23/51/563832351.db2.gz FDRPFOLHDAZBLP-GFCCVEGCSA-N 0 0 333.453 4.209 50 0 EIAARN COc1cc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc(OC)c1 ZINC000017071909 563835351 /nfs/dbraw/zinc/83/53/51/563835351.db2.gz MJQGSFGBJGDCHG-AWEZNQCLSA-N 0 0 344.480 4.368 50 0 EIAARN Fc1ccccc1CSCC1N=NC(=S)N1c1ccccc1F ZINC000017072573 563836093 /nfs/dbraw/zinc/83/60/93/563836093.db2.gz BDRXJNSTGUFFMQ-UHFFFAOYSA-N 0 0 349.431 4.268 50 0 EIAARN c1cc(-c2ccc(CNc3ncnc4sc5c(c43)CCC5)cc2)n[nH]1 ZINC000032932645 563842963 /nfs/dbraw/zinc/84/29/63/563842963.db2.gz CXKCHVUCORXPTG-UHFFFAOYSA-N 0 0 347.447 4.182 50 0 EIAARN COc1ccc(C(=O)[C@@H](CN(O)C(C)(C)C)c2ccccc2)cc1 ZINC000000404998 563844096 /nfs/dbraw/zinc/84/40/96/563844096.db2.gz DEQYDDCZONKOHI-SFHVURJKSA-N 0 0 327.424 4.151 50 0 EIAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)N3[C@H](C)CCC[C@@H]3C)nn21 ZINC000017920553 563846205 /nfs/dbraw/zinc/84/62/05/563846205.db2.gz GSTQYWKPVKSOKS-GASCZTMLSA-N 0 0 348.450 4.108 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)C1CCCCC1 ZINC000018051547 563847425 /nfs/dbraw/zinc/84/74/25/563847425.db2.gz GSSWGEKHLDTZLV-UHFFFAOYSA-N 0 0 347.418 4.109 50 0 EIAARN COc1ccc(C=C(C)c2nc(C)c(-c3ccccc3)c(=O)[nH]2)cc1 ZINC000018153844 563849692 /nfs/dbraw/zinc/84/96/92/563849692.db2.gz CXISIZFSMMGDQS-BUHFOSPRSA-N 0 0 332.403 4.314 50 0 EIAARN O=C(Nc1ccc(N2CCCCC2)nc1)c1c(F)cccc1Cl ZINC000020375288 563859113 /nfs/dbraw/zinc/85/91/13/563859113.db2.gz XMUBWZAJMXPWCP-UHFFFAOYSA-N 0 0 333.794 4.117 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000043279868 563861603 /nfs/dbraw/zinc/86/16/03/563861603.db2.gz INUHICAROCUTLR-GOSISDBHSA-N 0 0 340.423 4.381 50 0 EIAARN Cc1noc(COC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000022359147 563862864 /nfs/dbraw/zinc/86/28/64/563862864.db2.gz DGAHYIALGUSFOL-UHFFFAOYSA-N 0 0 346.427 4.036 50 0 EIAARN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000024250373 563870227 /nfs/dbraw/zinc/87/02/27/563870227.db2.gz ITWMBWHCCASCCZ-LBPRGKRZSA-N 0 0 329.350 4.208 50 0 EIAARN CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000024445042 563871587 /nfs/dbraw/zinc/87/15/87/563871587.db2.gz CATCXFJUBVZFNB-LJQANCHMSA-N 0 0 345.464 4.040 50 0 EIAARN O=C(Nc1ccc(-n2cccn2)cc1)c1ccccc1C(F)(F)F ZINC000024570712 563872543 /nfs/dbraw/zinc/87/25/43/563872543.db2.gz MWZKLODEPZHRSV-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN CCc1c(C(=O)Nc2ccccc2O)cnn1-c1cccc(Cl)c1 ZINC000024662054 563873774 /nfs/dbraw/zinc/87/37/74/563873774.db2.gz XXUDMRUZHYGRGB-UHFFFAOYSA-N 0 0 341.798 4.046 50 0 EIAARN O=C(Nc1cccc(-c2nnco2)c1)c1cc(Cl)cc(Cl)c1 ZINC000024743868 563874788 /nfs/dbraw/zinc/87/47/88/563874788.db2.gz CVHAZEYEKKSMJN-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN C[C@H](O)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 ZINC000024763904 563875515 /nfs/dbraw/zinc/87/55/15/563875515.db2.gz MPOPOTPQAPSIJU-NSHDSACASA-N 0 0 344.461 4.106 50 0 EIAARN Cc1cc(NC(=O)CCCC(=O)c2cccs2)ccc1N(C)C ZINC000024818001 563876080 /nfs/dbraw/zinc/87/60/80/563876080.db2.gz RBPRMPASPPCMDF-UHFFFAOYSA-N 0 0 330.453 4.114 50 0 EIAARN CCC[C@@H](C)NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000024831200 563876211 /nfs/dbraw/zinc/87/62/11/563876211.db2.gz WXVRDZXRWQWMRP-LLVKDONJSA-N 0 0 341.386 4.256 50 0 EIAARN O=C(Nc1cccc(F)c1)c1csc(COc2ccc(F)cc2)n1 ZINC000024842277 563876969 /nfs/dbraw/zinc/87/69/69/563876969.db2.gz CUOQMWJASIVOOR-UHFFFAOYSA-N 0 0 346.358 4.253 50 0 EIAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)C1CCOCC1 ZINC000024877952 563877372 /nfs/dbraw/zinc/87/73/72/563877372.db2.gz SZCZNSLHWMGUDM-HXUWFJFHSA-N 0 0 335.403 4.065 50 0 EIAARN C[C@H](Sc1nc2ccccc2o1)C(=O)N1CCCc2ccccc21 ZINC000010963312 563877486 /nfs/dbraw/zinc/87/74/86/563877486.db2.gz BEUFSVMDTZNONU-ZDUSSCGKSA-N 0 0 338.432 4.288 50 0 EIAARN C[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccccc1F ZINC000024928061 563877959 /nfs/dbraw/zinc/87/79/59/563877959.db2.gz LQIYPCDNGVQNAC-LBPRGKRZSA-N 0 0 341.411 4.335 50 0 EIAARN CN(C(=O)Cc1ccc(Br)cc1)[C@H]1CCc2ccccc21 ZINC000024968654 563878509 /nfs/dbraw/zinc/87/85/09/563878509.db2.gz KAQLJDBXEJRODQ-KRWDZBQOSA-N 0 0 344.252 4.138 50 0 EIAARN Cc1noc(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)n1 ZINC000025037448 563879941 /nfs/dbraw/zinc/87/99/41/563879941.db2.gz CKXIWNLKRCKAMC-UHFFFAOYSA-N 0 0 348.859 4.021 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)c2cccnc12 ZINC000025061427 563880480 /nfs/dbraw/zinc/88/04/80/563880480.db2.gz INEWMAQWHLYYSU-UHFFFAOYSA-N 0 0 344.773 4.353 50 0 EIAARN Cc1cc2cc(NC(=O)C3(c4ccccc4)CCOCC3)ccc2[nH]1 ZINC000025129188 563881318 /nfs/dbraw/zinc/88/13/18/563881318.db2.gz NOIPIKMPJSEROG-UHFFFAOYSA-N 0 0 334.419 4.163 50 0 EIAARN O=C(Nc1cccc(Cn2ccnc2)c1)c1cc2ccccc2s1 ZINC000025173199 563881897 /nfs/dbraw/zinc/88/18/97/563881897.db2.gz CTYPWRCJKBETCZ-UHFFFAOYSA-N 0 0 333.416 4.398 50 0 EIAARN c1cn(-c2ccc(CN[C@@H](c3ccccc3)c3ccccn3)cc2)cn1 ZINC000025363906 563883943 /nfs/dbraw/zinc/88/39/43/563883943.db2.gz GLRVLETWZHHSGS-QFIPXVFZSA-N 0 0 340.430 4.147 50 0 EIAARN c1cn(-c2ccc(CN[C@H](c3ccccc3)c3ccccn3)cc2)cn1 ZINC000025363910 563884066 /nfs/dbraw/zinc/88/40/66/563884066.db2.gz GLRVLETWZHHSGS-JOCHJYFZSA-N 0 0 340.430 4.147 50 0 EIAARN CN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1ccc2ccccc2c1 ZINC000025679388 563887375 /nfs/dbraw/zinc/88/73/75/563887375.db2.gz VYXTZXFLSJBIEM-NRFANRHFSA-N 0 0 332.447 4.101 50 0 EIAARN Cc1noc(C)c1CN(C(=O)Cc1cccs1)c1ccccc1 ZINC000025884141 563888988 /nfs/dbraw/zinc/88/89/88/563888988.db2.gz KXWPMLGDKUKICI-UHFFFAOYSA-N 0 0 326.421 4.129 50 0 EIAARN Cc1c(C(=O)Nc2cccc3ncccc32)cnn1-c1ccccc1F ZINC000026236378 563890422 /nfs/dbraw/zinc/89/04/22/563890422.db2.gz OEDOAOLVOMCSCD-UHFFFAOYSA-N 0 0 346.365 4.120 50 0 EIAARN O=C(NC1CCCCC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953010 563894515 /nfs/dbraw/zinc/89/45/15/563894515.db2.gz WPTLDRUUDPAPBY-UHFFFAOYSA-N 0 0 331.419 4.359 50 0 EIAARN CCOCc1ccccc1CNC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000027373724 563895299 /nfs/dbraw/zinc/89/52/99/563895299.db2.gz ANBVSWNXHOSQMU-CQSZACIVSA-N 0 0 346.858 4.437 50 0 EIAARN C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccncc1 ZINC000027403816 563895579 /nfs/dbraw/zinc/89/55/79/563895579.db2.gz RJBMWWGUHWNSAQ-MRXNPFEDSA-N 0 0 332.403 4.152 50 0 EIAARN Cc1nn(C)c(C)c1/C=C/C(=O)Oc1ccc(Oc2ccccc2)cc1 ZINC000070007604 563895657 /nfs/dbraw/zinc/89/56/57/563895657.db2.gz KFELNSOIZOREAG-BUHFOSPRSA-N 0 0 348.402 4.448 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3F)no2)cc1 ZINC000027580055 563896838 /nfs/dbraw/zinc/89/68/38/563896838.db2.gz AOAUCBCZVNWSRQ-UHFFFAOYSA-N 0 0 326.327 4.132 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)ns1 ZINC000027664115 563898489 /nfs/dbraw/zinc/89/84/89/563898489.db2.gz PKSMLOSJEAZNHI-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN Cc1cc2oc(C(=O)Nc3ccccc3F)cc(=O)c2cc1Cl ZINC000027748873 563899360 /nfs/dbraw/zinc/89/93/60/563899360.db2.gz SBYVPLSURRLYIS-UHFFFAOYSA-N 0 0 331.730 4.146 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](c3nccs3)C2)o1 ZINC000072272337 563901389 /nfs/dbraw/zinc/90/13/89/563901389.db2.gz HHEUMLCXUGWBLW-IJEWVQPXSA-N 0 0 344.480 4.198 50 0 EIAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3ccccn3)cc2C1 ZINC000028200043 563901732 /nfs/dbraw/zinc/90/17/32/563901732.db2.gz KUDKPBJJUALESX-CQSZACIVSA-N 0 0 328.481 4.224 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccs3)cs2)o1 ZINC000028427148 563902918 /nfs/dbraw/zinc/90/29/18/563902918.db2.gz LZJYWUPMTPSRBY-LLVKDONJSA-N 0 0 332.450 4.193 50 0 EIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]nc1-c1ccccc1 ZINC000029001351 563904892 /nfs/dbraw/zinc/90/48/92/563904892.db2.gz NUKXGKJZBHDPIN-UHFFFAOYSA-N 0 0 345.324 4.026 50 0 EIAARN CCc1cccc(NC(=O)Nc2cc(NC(C)=O)c(F)cc2F)c1 ZINC000072282538 563905647 /nfs/dbraw/zinc/90/56/47/563905647.db2.gz LSCVHARGASBISS-UHFFFAOYSA-N 0 0 333.338 4.130 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000000037775 563905985 /nfs/dbraw/zinc/90/59/85/563905985.db2.gz KJQJJASOYUDGMH-UHFFFAOYSA-N 0 0 344.842 4.266 50 0 EIAARN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 ZINC000029617155 563907626 /nfs/dbraw/zinc/90/76/26/563907626.db2.gz ZJJWNCVYJXOXFD-CYBMUJFWSA-N 0 0 340.814 4.408 50 0 EIAARN Clc1snnc1CSc1nnc(Nc2ccccc2)s1 ZINC000029888739 563908743 /nfs/dbraw/zinc/90/87/43/563908743.db2.gz ABYIXIPFXQMYKW-UHFFFAOYSA-N 0 0 341.874 4.079 50 0 EIAARN CC(=O)c1ccc(NC(=O)N2Cc3cc(F)ccc3C[C@H]2C)cc1 ZINC000072291900 563909318 /nfs/dbraw/zinc/90/93/18/563909318.db2.gz VHJZOMMWIAVTLJ-GFCCVEGCSA-N 0 0 326.371 4.007 50 0 EIAARN CN1CCN(C(=O)c2cc3ccccc3s2)[C@H](c2ccccc2)C1 ZINC000030029887 563909408 /nfs/dbraw/zinc/90/94/08/563909408.db2.gz BYHZXLKMNZTBPA-KRWDZBQOSA-N 0 0 336.460 4.030 50 0 EIAARN Cc1noc([C@@H](C)Nc2cccc(COc3cccc(F)c3)c2)n1 ZINC000030449287 563909751 /nfs/dbraw/zinc/90/97/51/563909751.db2.gz BEAHXYNINKVQPN-GFCCVEGCSA-N 0 0 327.359 4.269 50 0 EIAARN O=C1CCCc2cc(-c3csc(Nc4ccccn4)n3)ccc2N1 ZINC000030447091 563909753 /nfs/dbraw/zinc/90/97/53/563909753.db2.gz SLHJGIUQYCLVMH-UHFFFAOYSA-N 0 0 336.420 4.224 50 0 EIAARN Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccccc1)O2)CCC3 ZINC000030819473 563910811 /nfs/dbraw/zinc/91/08/11/563910811.db2.gz TYTVOLAJYUHKBH-KRWDZBQOSA-N 0 0 346.382 4.297 50 0 EIAARN O=C(NCCc1ccccc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000031042454 563912036 /nfs/dbraw/zinc/91/20/36/563912036.db2.gz JLOWAANIVDBKBM-GOSISDBHSA-N 0 0 328.843 4.429 50 0 EIAARN Cc1cnc([C@@H](NC(=O)C2CCC(n3cccc3)CC2)C2CC2)s1 ZINC000072296839 563912576 /nfs/dbraw/zinc/91/25/76/563912576.db2.gz HKNWZZGIGCROBY-JCYILVPMSA-N 0 0 343.496 4.252 50 0 EIAARN COc1ccc(CNc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000032544600 563913905 /nfs/dbraw/zinc/91/39/05/563913905.db2.gz GDWDUJBWPLHXFL-UHFFFAOYSA-N 0 0 333.313 4.269 50 0 EIAARN CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1c1ncc(Br)cn1 ZINC000072302485 563914241 /nfs/dbraw/zinc/91/42/41/563914241.db2.gz QKVDNDQCXUJFCD-JKSUJKDBSA-N 0 0 346.272 4.320 50 0 EIAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000033087331 563915181 /nfs/dbraw/zinc/91/51/81/563915181.db2.gz HVRGIIZBIIRETE-CQSZACIVSA-N 0 0 337.782 4.453 50 0 EIAARN C[C@H](Sc1nc2ccsc2c(=O)n1C)c1ncc(C(C)(C)C)o1 ZINC000177224974 563915338 /nfs/dbraw/zinc/91/53/38/563915338.db2.gz XAEHIQXSIPTMQU-VIFPVBQESA-N 0 0 349.481 4.134 50 0 EIAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000033270514 563915573 /nfs/dbraw/zinc/91/55/73/563915573.db2.gz CIKLWXJMLAVTRJ-INIZCTEOSA-N 0 0 329.400 4.059 50 0 EIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)on1 ZINC000033270081 563915575 /nfs/dbraw/zinc/91/55/75/563915575.db2.gz UIPGJVMIERNFKP-INIZCTEOSA-N 0 0 332.831 4.358 50 0 EIAARN CC[C@H](NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1)c1cccs1 ZINC000177435104 563916129 /nfs/dbraw/zinc/91/61/29/563916129.db2.gz JHFQKAQWDOPFOT-QWHCGFSZSA-N 0 0 348.472 4.252 50 0 EIAARN O[C@H](c1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 ZINC000000035076 563916937 /nfs/dbraw/zinc/91/69/37/563916937.db2.gz OFJRMQYUMVEPRV-FQEVSTJZSA-N 0 0 332.378 4.305 50 0 EIAARN Clc1ccc(-c2nnc3ccc(NCc4ccccc4)nn32)cc1 ZINC000000453152 563917483 /nfs/dbraw/zinc/91/74/83/563917483.db2.gz HBIVDWYZYYYJJE-UHFFFAOYSA-N 0 0 335.798 4.057 50 0 EIAARN O=c1oc2ccccc2cc1-c1nnc(Nc2ccc(F)cc2)s1 ZINC000001511548 563917954 /nfs/dbraw/zinc/91/79/54/563917954.db2.gz ZIQQQMGPHIZYTP-UHFFFAOYSA-N 0 0 339.351 4.194 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000032971469 563920169 /nfs/dbraw/zinc/92/01/69/563920169.db2.gz SNGRTZZCBHMYER-CYBMUJFWSA-N 0 0 345.402 4.205 50 0 EIAARN CCCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000032974900 563920272 /nfs/dbraw/zinc/92/02/72/563920272.db2.gz LRKCRJGLSJRGQR-UHFFFAOYSA-N 0 0 347.462 4.307 50 0 EIAARN C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)s1 ZINC000046293976 563920524 /nfs/dbraw/zinc/92/05/24/563920524.db2.gz OFNHNODSCPVKIQ-JTQLQIEISA-N 0 0 337.828 4.054 50 0 EIAARN CCCCN(CCCC)S(=O)(=O)c1ccccc1Br ZINC000037395581 563920615 /nfs/dbraw/zinc/92/06/15/563920615.db2.gz FBPROQBJGATNEL-UHFFFAOYSA-N 0 0 348.306 4.040 50 0 EIAARN O=C1CC(c2ccccc2)CC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000032985371 563920696 /nfs/dbraw/zinc/92/06/96/563920696.db2.gz BZCFSJNEGOXBMD-UHFFFAOYSA-N 0 0 333.309 4.143 50 0 EIAARN Cc1ccc(N2C(=O)CC(c3ccc(Cl)cc3)CC2=O)cc1F ZINC000032985376 563920698 /nfs/dbraw/zinc/92/06/98/563920698.db2.gz FUSCRGLGBBJZBK-UHFFFAOYSA-N 0 0 331.774 4.225 50 0 EIAARN Cc1cccc(-c2noc([C@@H](C)NC(=O)c3ccccc3Cl)n2)c1 ZINC000013495289 563921137 /nfs/dbraw/zinc/92/11/37/563921137.db2.gz NMFHPCKIUNPENK-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN CC[C@H](C)NC(=O)Nc1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000032996467 563921549 /nfs/dbraw/zinc/92/15/49/563921549.db2.gz XPTXZWITNOOMOO-NSHDSACASA-N 0 0 342.424 4.385 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cn1 ZINC000071811797 563922706 /nfs/dbraw/zinc/92/27/06/563922706.db2.gz HPBBRLFKDWHHLQ-UHFFFAOYSA-N 0 0 339.395 4.171 50 0 EIAARN O=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1cc(F)cc(F)c1 ZINC000097938559 563922950 /nfs/dbraw/zinc/92/29/50/563922950.db2.gz KPRHAULTFJVWKS-UHFFFAOYSA-N 0 0 345.736 4.328 50 0 EIAARN Cc1ccc(-c2noc(-c3cccnc3NCc3cccnc3)n2)cc1 ZINC000033004349 563924643 /nfs/dbraw/zinc/92/46/43/563924643.db2.gz ROVMPUXCAKZLHP-UHFFFAOYSA-N 0 0 343.390 4.114 50 0 EIAARN COc1ccc(C(=O)c2sc3nc(C)cc(C(F)F)c3c2N)cc1 ZINC000044890072 563927502 /nfs/dbraw/zinc/92/75/02/563927502.db2.gz RNCJZSWXIPMNDU-UHFFFAOYSA-N 0 0 348.374 4.364 50 0 EIAARN Cc1ccc(NCc2cn3cc(Br)ccc3n2)c(F)c1 ZINC000072312437 563929299 /nfs/dbraw/zinc/92/92/99/563929299.db2.gz STDSLYJLIJRLPA-UHFFFAOYSA-N 0 0 334.192 4.156 50 0 EIAARN Cn1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)cn1 ZINC000432998021 563935235 /nfs/dbraw/zinc/93/52/35/563935235.db2.gz OTJVQLCVELRUEK-HNNXBMFYSA-N 0 0 343.427 4.141 50 0 EIAARN Cc1ccc(-c2ocnc2C(=O)Nc2nc3ccccc3s2)o1 ZINC000033049057 563935352 /nfs/dbraw/zinc/93/53/52/563935352.db2.gz SWQAIRYEVGKNJZ-UHFFFAOYSA-N 0 0 325.349 4.105 50 0 EIAARN C[C@H](Sc1nc2c3ccccc3[nH]c2c(=O)n1C)c1ccccc1 ZINC000013878715 563935805 /nfs/dbraw/zinc/93/58/05/563935805.db2.gz PMOUOFAYCYMFBP-LBPRGKRZSA-N 0 0 335.432 4.268 50 0 EIAARN CC(C)CCO[C@@H](C)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000057986723 563936178 /nfs/dbraw/zinc/93/61/78/563936178.db2.gz VHAMECMBCCZDPF-HNNXBMFYSA-N 0 0 334.460 4.061 50 0 EIAARN CCN(C(=O)CN1CCC[C@H]1c1ccc(F)cc1)c1ccccc1C ZINC000058029530 563936877 /nfs/dbraw/zinc/93/68/77/563936877.db2.gz AHPIEUPYWZQXCC-FQEVSTJZSA-N 0 0 340.442 4.324 50 0 EIAARN C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccccc1Cl ZINC000058065832 563937185 /nfs/dbraw/zinc/93/71/85/563937185.db2.gz JLQKGBQZKHSTQA-KBXCAEBGSA-N 0 0 339.826 4.003 50 0 EIAARN CC[C@H](NC(=O)Nc1ncccc1C)c1nc(-c2ccccc2)c[nH]1 ZINC000058156727 563937934 /nfs/dbraw/zinc/93/79/34/563937934.db2.gz ZJAMMIRCAWZYJG-HNNXBMFYSA-N 0 0 335.411 4.053 50 0 EIAARN CCN(Cc1ccco1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000058159064 563938166 /nfs/dbraw/zinc/93/81/66/563938166.db2.gz VCYXXORDUKOASX-UHFFFAOYSA-N 0 0 330.384 4.205 50 0 EIAARN Cc1nnc([C@H](C)Sc2nc3c(n2-c2ccccc2)CCCC3)o1 ZINC000058180411 563939174 /nfs/dbraw/zinc/93/91/74/563939174.db2.gz ZJJFITDBRDHMBX-LBPRGKRZSA-N 0 0 340.452 4.296 50 0 EIAARN O=C(Nc1ccccc1)N(CCc1ccccc1)Cc1ccncc1 ZINC000058180752 563939287 /nfs/dbraw/zinc/93/92/87/563939287.db2.gz XAPJVGNAHHBWBM-UHFFFAOYSA-N 0 0 331.419 4.358 50 0 EIAARN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc3[nH]ccc32)c1 ZINC000058218351 563940151 /nfs/dbraw/zinc/94/01/51/563940151.db2.gz BLGRQINMYLHBOA-LRDDRELGSA-N 0 0 333.391 4.015 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000058226610 563940380 /nfs/dbraw/zinc/94/03/80/563940380.db2.gz BLDQDLSHJDHVDA-BMLIUANNSA-N 0 0 332.831 4.316 50 0 EIAARN CCOC1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 ZINC000058299688 563941999 /nfs/dbraw/zinc/94/19/99/563941999.db2.gz GXTNASLPKXTTBC-UHFFFAOYSA-N 0 0 333.428 4.195 50 0 EIAARN Cc1ccccc1NC(=O)[C@H](C)Nc1cccc(COC(C)C)c1 ZINC000058304666 563942126 /nfs/dbraw/zinc/94/21/26/563942126.db2.gz AOJRSWGQOYQJPC-INIZCTEOSA-N 0 0 326.440 4.359 50 0 EIAARN O=C(NCc1ccncc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000058327893 563942691 /nfs/dbraw/zinc/94/26/91/563942691.db2.gz BAPKSPURJNJYLC-HOTGVXAUSA-N 0 0 349.459 4.058 50 0 EIAARN CN(Cc1cccc2ccccc21)C(=O)c1ccc2c(c1)OCCCO2 ZINC000058343822 563943059 /nfs/dbraw/zinc/94/30/59/563943059.db2.gz LBTIDHJHJIZDPW-UHFFFAOYSA-N 0 0 347.414 4.273 50 0 EIAARN O=C(CNc1ccc2c(c1)Cc1ccccc1-2)NCc1ccc(F)cc1 ZINC000058356270 563943415 /nfs/dbraw/zinc/94/34/15/563943415.db2.gz ZVYWHRZTZRMAOQ-UHFFFAOYSA-N 0 0 346.405 4.125 50 0 EIAARN Cc1ccn2cc(C(=O)Nc3cnccc3Oc3ccccc3)nc2c1 ZINC000058366475 563943873 /nfs/dbraw/zinc/94/38/73/563943873.db2.gz LWVKAMPWBQGIGD-UHFFFAOYSA-N 0 0 344.374 4.082 50 0 EIAARN O=C(CCc1ccccn1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000058365998 563943891 /nfs/dbraw/zinc/94/38/91/563943891.db2.gz OYVPXFMZBFTOSJ-UHFFFAOYSA-N 0 0 343.430 4.347 50 0 EIAARN COCC(=O)N(Cc1ccccc1)c1nc2cc(C)cc(C)c2s1 ZINC000058377788 563944164 /nfs/dbraw/zinc/94/41/64/563944164.db2.gz GDYCIQZBRIUORP-UHFFFAOYSA-N 0 0 340.448 4.093 50 0 EIAARN Cc1cccc(-c2noc(C[S@@](=O)Cc3ccccc3Cl)n2)c1 ZINC000058377569 563944207 /nfs/dbraw/zinc/94/42/07/563944207.db2.gz JNJQKSOVHICFLQ-HSZRJFAPSA-N 0 0 346.839 4.147 50 0 EIAARN Cc1ccccc1SCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000058378339 563944256 /nfs/dbraw/zinc/94/42/56/563944256.db2.gz YMUROJBCRYIPTJ-XLIONFOSSA-N 0 0 341.476 4.124 50 0 EIAARN C[C@@H](C(=O)Nc1ccc(F)cc1)n1c(-c2cccs2)n[nH]c1=S ZINC000058380306 563944300 /nfs/dbraw/zinc/94/43/00/563944300.db2.gz JOUIYWKKRIHRBX-VIFPVBQESA-N 0 0 348.428 4.008 50 0 EIAARN CC(C)(C)c1ncc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cn1 ZINC000058412278 563945332 /nfs/dbraw/zinc/94/53/32/563945332.db2.gz RLWVQUWDIPEAJO-ZIAGYGMSSA-N 0 0 329.831 4.170 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)c2cccnc2SC(F)(F)F)o1 ZINC000058413310 563945368 /nfs/dbraw/zinc/94/53/68/563945368.db2.gz LWFRCJZZECRZGY-VIFPVBQESA-N 0 0 330.331 4.086 50 0 EIAARN Cc1ccccc1C[S@@](=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000058415851 563945417 /nfs/dbraw/zinc/94/54/17/563945417.db2.gz FEYSNEWJRNSHCS-QHCPKHFHSA-N 0 0 346.839 4.147 50 0 EIAARN Cc1nc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cs1 ZINC000058429483 563946104 /nfs/dbraw/zinc/94/61/04/563946104.db2.gz RCPWMRQUSKSVDF-UHFFFAOYSA-N 0 0 343.433 4.018 50 0 EIAARN O=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1COc2ccccc21 ZINC000058620837 563946934 /nfs/dbraw/zinc/94/69/34/563946934.db2.gz HFKZNWUHVOKELU-SFHVURJKSA-N 0 0 338.407 4.263 50 0 EIAARN CC(C)Cn1c(=O)c2ccccc2nc1SCc1cccc(F)c1 ZINC000059094242 563947631 /nfs/dbraw/zinc/94/76/31/563947631.db2.gz QMQMCEMCIOSYBZ-UHFFFAOYSA-N 0 0 342.439 4.484 50 0 EIAARN O=C1C[C@H]2Sc3ccccc3N=C2N1Cc1ccc(Cl)cc1 ZINC000059682020 563949279 /nfs/dbraw/zinc/94/92/79/563949279.db2.gz WHESWBBCMQMRIR-OAHLLOKOSA-N 0 0 328.824 4.277 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)NCc1cccc(OC(C)C)c1 ZINC000096415246 563951210 /nfs/dbraw/zinc/95/12/10/563951210.db2.gz KTNVSPPOVJQUFW-LJQANCHMSA-N 0 0 341.455 4.162 50 0 EIAARN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000096415482 563951228 /nfs/dbraw/zinc/95/12/28/563951228.db2.gz SLSXEHYXQSQGKV-ROUUACIJSA-N 0 0 327.403 4.001 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000096417642 563951375 /nfs/dbraw/zinc/95/13/75/563951375.db2.gz JIVJLGKELBEYTC-UONOGXRCSA-N 0 0 339.395 4.364 50 0 EIAARN C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1)c1ccncc1 ZINC000096446957 563953358 /nfs/dbraw/zinc/95/33/58/563953358.db2.gz LSNFPAUVZMAPMO-JKSUJKDBSA-N 0 0 346.434 4.265 50 0 EIAARN CC[C@@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1cccs1 ZINC000096474159 563954870 /nfs/dbraw/zinc/95/48/70/563954870.db2.gz MPPUJKYAEABUDZ-CHWSQXEVSA-N 0 0 336.482 4.044 50 0 EIAARN CC(C)(C)c1ccc(I)c(Br)c1 ZINC000063339625 563955494 /nfs/dbraw/zinc/95/54/94/563955494.db2.gz XNKAPUCNAVBLOL-UHFFFAOYSA-N 0 0 339.014 4.351 50 0 EIAARN COc1c(F)cccc1-c1nc(-c2ccccc2)nn1-c1ccccn1 ZINC000063833656 563956094 /nfs/dbraw/zinc/95/60/94/563956094.db2.gz VZWCJQKGRMAIMK-UHFFFAOYSA-N 0 0 346.365 4.144 50 0 EIAARN COc1cc(CN2CCC[C@@H]2c2cc(C(C)C)no2)cc(OC)c1 ZINC000064667125 563956972 /nfs/dbraw/zinc/95/69/72/563956972.db2.gz KZFCWYMCDANYCH-GOSISDBHSA-N 0 0 330.428 4.152 50 0 EIAARN CC(=O)Nc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1 ZINC000064801173 563957225 /nfs/dbraw/zinc/95/72/25/563957225.db2.gz UPPGLJSEVACQPP-UHFFFAOYSA-N 0 0 339.443 4.232 50 0 EIAARN Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)Cc2ccccc2)c1 ZINC000064984039 563957407 /nfs/dbraw/zinc/95/74/07/563957407.db2.gz BJJHZXUBSDJTGY-FQEVSTJZSA-N 0 0 343.492 4.442 50 0 EIAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2OCC)no1 ZINC000064984738 563957730 /nfs/dbraw/zinc/95/77/30/563957730.db2.gz OTGLEVUVJPTLOW-KRWDZBQOSA-N 0 0 343.427 4.395 50 0 EIAARN CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000065363413 563958160 /nfs/dbraw/zinc/95/81/60/563958160.db2.gz IWACRNPXCSQOOU-UHFFFAOYSA-N 0 0 348.815 4.115 50 0 EIAARN CSCc1noc(Cn2cnc(-c3ccccc3)c2C=C(C)C)n1 ZINC000065370611 563958357 /nfs/dbraw/zinc/95/83/57/563958357.db2.gz WSBZWOWIWOJXFV-UHFFFAOYSA-N 0 0 340.452 4.268 50 0 EIAARN CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3C2CCCCC2)o1 ZINC000065380618 563958941 /nfs/dbraw/zinc/95/89/41/563958941.db2.gz BGKZQPNTNZOSPJ-OAHLLOKOSA-N 0 0 327.428 4.326 50 0 EIAARN O=c1c2ccc[nH]c-2cn1CCC(c1ccccc1)c1ccccc1 ZINC000065384897 563959184 /nfs/dbraw/zinc/95/91/84/563959184.db2.gz ZYXUTQYSKMLNSU-UHFFFAOYSA-N 0 0 328.415 4.260 50 0 EIAARN Cc1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)cs1 ZINC000065386596 563959282 /nfs/dbraw/zinc/95/92/82/563959282.db2.gz CIRKGGKQOVOPAP-INIZCTEOSA-N 0 0 343.839 4.019 50 0 EIAARN CC[C@H](C)N(C(=O)c1cccc(Oc2ncccn2)c1)C1CCCC1 ZINC000065404830 563960034 /nfs/dbraw/zinc/96/00/34/563960034.db2.gz OPVFUEWLAVZWON-HNNXBMFYSA-N 0 0 339.439 4.452 50 0 EIAARN CC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)n1 ZINC000065421018 563960554 /nfs/dbraw/zinc/96/05/54/563960554.db2.gz VGYDKOMJKSFZOI-QGZVFWFLSA-N 0 0 348.450 4.310 50 0 EIAARN c1nc(-c2ccccc2)c(C2CC2)n1CCN1CCc2ccccc21 ZINC000065434005 563960881 /nfs/dbraw/zinc/96/08/81/563960881.db2.gz ZUKRFBFQVSOZKI-UHFFFAOYSA-N 0 0 329.447 4.490 50 0 EIAARN OCCCn1cnc(-c2ccccc2)c1-c1coc(-c2ccccc2)n1 ZINC000065453585 563961067 /nfs/dbraw/zinc/96/10/67/563961067.db2.gz DUGKSHXNCZOYQP-UHFFFAOYSA-N 0 0 345.402 4.255 50 0 EIAARN C[C@H](c1ccon1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000065498023 563961547 /nfs/dbraw/zinc/96/15/47/563961547.db2.gz FLXQKZOMZCYBEO-LLVKDONJSA-N 0 0 330.771 4.421 50 0 EIAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4[nH]3)C2)c1C ZINC000033071690 563963371 /nfs/dbraw/zinc/96/33/71/563963371.db2.gz ABVCLOYJANAYID-INIZCTEOSA-N 0 0 348.450 4.035 50 0 EIAARN Brc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccncc1)N2 ZINC000033087880 563963434 /nfs/dbraw/zinc/96/34/34/563963434.db2.gz QSRUXLXYUUZRAS-JQFCIGGWSA-N 0 0 345.240 4.479 50 0 EIAARN CCc1ccccc1NC(=O)c1nc2ccccc2nc1N(CC)CC ZINC000033085976 563963456 /nfs/dbraw/zinc/96/34/56/563963456.db2.gz HLDWJWWIUXEANJ-UHFFFAOYSA-N 0 0 348.450 4.291 50 0 EIAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000033086795 563963459 /nfs/dbraw/zinc/96/34/59/563963459.db2.gz OLSALUUGPMYQFS-CQSZACIVSA-N 0 0 338.329 4.288 50 0 EIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccc(Cl)cc1 ZINC000033086152 563963480 /nfs/dbraw/zinc/96/34/80/563963480.db2.gz HKYJTRYNJHRJQG-UHFFFAOYSA-N 0 0 340.814 4.357 50 0 EIAARN O=C(Nc1ccc(O)cc1)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000060481021 563963801 /nfs/dbraw/zinc/96/38/01/563963801.db2.gz HQMATWAZAURFOJ-UHFFFAOYSA-N 0 0 347.418 4.099 50 0 EIAARN O=C1CC[C@@]2(CCCO2)CCN1Cc1ccccc1-c1ccccc1 ZINC000071404082 563964311 /nfs/dbraw/zinc/96/43/11/563964311.db2.gz GXZYXRDZMFPOFZ-QFIPXVFZSA-N 0 0 335.447 4.415 50 0 EIAARN Fc1ccc(-c2nccn2[C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000071735914 563964847 /nfs/dbraw/zinc/96/48/47/563964847.db2.gz WXBBBXNBLZULGP-IBGZPJMESA-N 0 0 332.382 4.175 50 0 EIAARN O=C(c1ccccc1)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071745347 563964917 /nfs/dbraw/zinc/96/49/17/563964917.db2.gz TYAOSTKEBKMCKQ-OAHLLOKOSA-N 0 0 329.390 4.450 50 0 EIAARN CCc1noc(C)c1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071755384 563965287 /nfs/dbraw/zinc/96/52/87/563965287.db2.gz GXKJBXPCJTXEGT-INIZCTEOSA-N 0 0 344.430 4.170 50 0 EIAARN COc1cc2c(cc1-c1nccn1[C@H](C)c1nc(C)cs1)CCC2 ZINC000071763401 563965414 /nfs/dbraw/zinc/96/54/14/563965414.db2.gz FQSQTHGJFKKOJM-CYBMUJFWSA-N 0 0 339.464 4.422 50 0 EIAARN Cc1nc([C@@H](C)n2ccnc2-c2cccc(-n3cccn3)c2)cs1 ZINC000071763834 563965496 /nfs/dbraw/zinc/96/54/96/563965496.db2.gz UEDRYIZLIQJGDI-CYBMUJFWSA-N 0 0 335.436 4.110 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)n1 ZINC000071771155 563965654 /nfs/dbraw/zinc/96/56/54/563965654.db2.gz HHCDGDYZBBZMGA-OAHLLOKOSA-N 0 0 344.405 4.153 50 0 EIAARN COc1ccc(/C=C\c2nc3sc4c(c3c(=O)o2)CCCC4)cc1 ZINC000033247685 563965955 /nfs/dbraw/zinc/96/59/55/563965955.db2.gz WZZIVJSZVVAYNL-FLIBITNWSA-N 0 0 339.416 4.307 50 0 EIAARN COc1cccc(Nc2nc(N)c(C(=O)c3ccc(C)cc3)s2)c1 ZINC000033251606 563966027 /nfs/dbraw/zinc/96/60/27/563966027.db2.gz BHMSAPWJGVMVQL-UHFFFAOYSA-N 0 0 339.420 4.017 50 0 EIAARN O=C(c1ccc(-c2noc(C3CCCC3)n2)cc1)N1CCCCC1 ZINC000033254387 563966046 /nfs/dbraw/zinc/96/60/46/563966046.db2.gz JWVYXAXPFFPTRT-UHFFFAOYSA-N 0 0 325.412 4.020 50 0 EIAARN COc1ccc(CNC(=O)c2cc(C)nc3c(C)cc(C)cc23)cc1 ZINC000033252855 563966115 /nfs/dbraw/zinc/96/61/15/563966115.db2.gz JLOONBCYCAETJG-UHFFFAOYSA-N 0 0 334.419 4.099 50 0 EIAARN COc1ccc(Cc2nc(-c3ccc(N(C)C)cc3)no2)cc1Cl ZINC000033255539 563966133 /nfs/dbraw/zinc/96/61/33/563966133.db2.gz ZMGJTVRHDODTHF-UHFFFAOYSA-N 0 0 343.814 4.055 50 0 EIAARN CCCNC(=O)Nc1ccc(-c2noc(-c3cccc(C)c3)n2)cc1 ZINC000033257142 563966162 /nfs/dbraw/zinc/96/61/62/563966162.db2.gz WGFVVSYJIQBBRW-UHFFFAOYSA-N 0 0 336.395 4.244 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(C(=O)N4CCCC4)c3)no2)c(C)c1 ZINC000033257814 563966230 /nfs/dbraw/zinc/96/62/30/563966230.db2.gz SFLQNKYAVDDTQF-UHFFFAOYSA-N 0 0 347.418 4.256 50 0 EIAARN O=C(CCc1ccsc1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000097016163 563966732 /nfs/dbraw/zinc/96/67/32/563966732.db2.gz XKHONGJIJBRHRW-SJORKVTESA-N 0 0 347.480 4.169 50 0 EIAARN C[C@@H](Nc1cccc(N2CCCC2)c1)c1ccc([S@](C)=O)cc1 ZINC000097045851 563966968 /nfs/dbraw/zinc/96/69/68/563966968.db2.gz HQURKUYIAIBROK-IQMFZBJNSA-N 0 0 328.481 4.197 50 0 EIAARN Brc1cnc(OCc2ccccc2)c(Br)c1 ZINC000074937898 563967089 /nfs/dbraw/zinc/96/70/89/563967089.db2.gz YNNOMHHKXNIXKO-UHFFFAOYSA-N 0 0 343.018 4.186 50 0 EIAARN Cc1ncsc1C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097086538 563967349 /nfs/dbraw/zinc/96/73/49/563967349.db2.gz KDTUQUKKFLSFTG-GFCCVEGCSA-N 0 0 340.370 4.100 50 0 EIAARN CCOc1cccc(NC(=O)Nc2cc(-c3nnco3)ccc2C)c1 ZINC000097103624 563967596 /nfs/dbraw/zinc/96/75/96/563967596.db2.gz CHTRJWDBFBRMFW-UHFFFAOYSA-N 0 0 338.367 4.088 50 0 EIAARN CCOc1ccccc1[C@H]1[NH2+]CCc2cc(OCC)c(OCC)cc21 ZINC000000034586 563967829 /nfs/dbraw/zinc/96/78/29/563967829.db2.gz JOQOXKMMBWYZFE-OAQYLSRUSA-N 0 0 341.451 4.118 50 0 EIAARN CC(C)OCc1cccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000097113194 563967881 /nfs/dbraw/zinc/96/78/81/563967881.db2.gz VGVKBKVYHICXJC-GOSISDBHSA-N 0 0 342.443 4.094 50 0 EIAARN Cc1csc([C@@H](C)CNC(=O)Nc2ccc3[nH]c(C)cc3c2)n1 ZINC000097113244 563967885 /nfs/dbraw/zinc/96/78/85/563967885.db2.gz DCRCDJMFOWHQLR-JTQLQIEISA-N 0 0 328.441 4.166 50 0 EIAARN O=C(Nc1ccccc1-c1cn[nH]c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000097162319 563968438 /nfs/dbraw/zinc/96/84/38/563968438.db2.gz IBHWTAYEWJFGBW-QGZVFWFLSA-N 0 0 346.434 4.173 50 0 EIAARN O=C(CCc1cc(Cl)no1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077287278 563968760 /nfs/dbraw/zinc/96/87/60/563968760.db2.gz DLTXIMQBIFAQKW-HNNXBMFYSA-N 0 0 336.794 4.154 50 0 EIAARN CC(C)c1nc(CN(C)Cc2cnn(-c3cccc(F)c3)c2)cs1 ZINC000077299538 563968791 /nfs/dbraw/zinc/96/87/91/563968791.db2.gz LOATWTSTQCNSKT-UHFFFAOYSA-N 0 0 344.459 4.223 50 0 EIAARN COc1cc2c(cc1CN1CCC[C@H]1c1nc(C(C)C)no1)CCC2 ZINC000077322003 563968991 /nfs/dbraw/zinc/96/89/91/563968991.db2.gz AQGRQZSUNRNEID-KRWDZBQOSA-N 0 0 341.455 4.027 50 0 EIAARN Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@H]2c2ccccn2)s1 ZINC000077387533 563969330 /nfs/dbraw/zinc/96/93/30/563969330.db2.gz ULADMYFPTUCAIN-KRWDZBQOSA-N 0 0 349.459 4.491 50 0 EIAARN CC(C)n1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cn1 ZINC000077385414 563969333 /nfs/dbraw/zinc/96/93/33/563969333.db2.gz FUXZXCSELFYEDX-UHFFFAOYSA-N 0 0 335.810 4.061 50 0 EIAARN O=C(c1cnn(-c2ccccc2)c1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077426871 563969631 /nfs/dbraw/zinc/96/96/31/563969631.db2.gz OSARAEYICPWIDE-FQEVSTJZSA-N 0 0 349.409 4.379 50 0 EIAARN Cc1c2cccc(F)c2oc1-c1nc(-c2ccc3nc[nH]c3c2)no1 ZINC000077457475 563969766 /nfs/dbraw/zinc/96/97/66/563969766.db2.gz JFEHETYJLILPCO-UHFFFAOYSA-N 0 0 334.310 4.474 50 0 EIAARN CCCc1nc(C(=O)N2CCCC[C@H]2c2cccc(OC)c2)cs1 ZINC000077469877 563969826 /nfs/dbraw/zinc/96/98/26/563969826.db2.gz QDDCSNZGMBQZEW-KRWDZBQOSA-N 0 0 344.480 4.472 50 0 EIAARN COc1cccc([C@@H]2CCCCN2C(=O)c2cccc(C(C)=O)c2)c1 ZINC000077469871 563969857 /nfs/dbraw/zinc/96/98/57/563969857.db2.gz LPIFGAWYOGPYII-FQEVSTJZSA-N 0 0 337.419 4.265 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)N(C)[C@H](C)c3cncs3)c2c1 ZINC000077470027 563969869 /nfs/dbraw/zinc/96/98/69/563969869.db2.gz GZROHGWUVJJMQG-CYBMUJFWSA-N 0 0 325.437 4.141 50 0 EIAARN COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@@H]32)cc1 ZINC000008101678 563971079 /nfs/dbraw/zinc/97/10/79/563971079.db2.gz NCAZXJBAFALTTE-FHLIZLRMSA-N 0 0 343.810 4.371 50 0 EIAARN COc1ccc([C@@H](C)Nc2ccc(CN3CCCC3=O)cc2)c(F)c1 ZINC000097037296 563971378 /nfs/dbraw/zinc/97/13/78/563971378.db2.gz FLYJACMUYIPLNY-CQSZACIVSA-N 0 0 342.414 4.130 50 0 EIAARN CCOc1ccc(CC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000033270084 563971773 /nfs/dbraw/zinc/97/17/73/563971773.db2.gz IPMRAVHEZWGFSG-SFHVURJKSA-N 0 0 342.439 4.103 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000033270064 563971795 /nfs/dbraw/zinc/97/17/95/563971795.db2.gz NEIFNTNUUPVYFC-SFHVURJKSA-N 0 0 342.439 4.103 50 0 EIAARN CCCc1cc(C(=O)NCC[C@@H](c2ccco2)c2ccccc2)no1 ZINC000082096731 563972125 /nfs/dbraw/zinc/97/21/25/563972125.db2.gz UVMJENKCPQXRTL-QGZVFWFLSA-N 0 0 338.407 4.172 50 0 EIAARN Cc1cc(C(=O)N[C@H](c2ncccc2C)C2CC2)c2ccc(F)cc2n1 ZINC000082097001 563972183 /nfs/dbraw/zinc/97/21/83/563972183.db2.gz ZNMRETWZYWOOLW-FQEVSTJZSA-N 0 0 349.409 4.267 50 0 EIAARN Cc1ccc(-c2cccc(C(=O)N(C)Cc3noc(C(C)C)n3)c2)o1 ZINC000082120895 563972501 /nfs/dbraw/zinc/97/25/01/563972501.db2.gz KGFDOZNJHUOFIQ-UHFFFAOYSA-N 0 0 339.395 4.034 50 0 EIAARN Cc1ccccc1[C@H]1CCCN(C(=O)c2cnc(C(C)C)nc2C)C1 ZINC000082134560 563972585 /nfs/dbraw/zinc/97/25/85/563972585.db2.gz AVUUTDIXDTWKLZ-KRWDZBQOSA-N 0 0 337.467 4.237 50 0 EIAARN CC(C)c1noc([C@@H]2CCCN2C(=O)c2csc3c2CCCC3)n1 ZINC000082157234 563972739 /nfs/dbraw/zinc/97/27/39/563972739.db2.gz VJYLFZHGNKYIDP-AWEZNQCLSA-N 0 0 345.468 4.111 50 0 EIAARN O=C(Nc1ccccc1Cl)c1cccc(Oc2ncccn2)c1 ZINC000082230624 563972922 /nfs/dbraw/zinc/97/29/22/563972922.db2.gz LCFDAMUDFBDVPX-UHFFFAOYSA-N 0 0 325.755 4.175 50 0 EIAARN O=C(C1CCCCC1)N1CCC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000033290197 563973077 /nfs/dbraw/zinc/97/30/77/563973077.db2.gz WRYYTGIYUNTUHB-KRWDZBQOSA-N 0 0 339.439 4.023 50 0 EIAARN C[C@@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CS1 ZINC000585140790 563973346 /nfs/dbraw/zinc/97/33/46/563973346.db2.gz JPSIQVAIYLTRAH-PBHICJAKSA-N 0 0 333.501 4.400 50 0 EIAARN CC(=O)N1CCC[C@@H](c2nc(-c3cc(F)ccc3F)c(C)s2)C1 ZINC000127800401 563973710 /nfs/dbraw/zinc/97/37/10/563973710.db2.gz JHYZBWUUGFLZOJ-GFCCVEGCSA-N 0 0 336.407 4.123 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)C2=Cc3ccc(C)cc3OC=C2)cc1 ZINC000033321290 563974004 /nfs/dbraw/zinc/97/40/04/563974004.db2.gz GLTIOECULVPHSZ-UHFFFAOYSA-N 0 0 349.386 4.100 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cccs1 ZINC000585147859 563974084 /nfs/dbraw/zinc/97/40/84/563974084.db2.gz DMNIJMPQFMPMRG-SNVBAGLBSA-N 0 0 335.475 4.002 50 0 EIAARN COc1cc(OC(F)(F)F)c(Br)cc1Br ZINC000091251988 563975133 /nfs/dbraw/zinc/97/51/33/563975133.db2.gz MNJSXTGIUDEJSM-UHFFFAOYSA-N 0 0 349.928 4.119 50 0 EIAARN CCc1cc([C@H](C)n2cc(-c3ccccc3-c3ccco3)nn2)on1 ZINC000091643250 563975569 /nfs/dbraw/zinc/97/55/69/563975569.db2.gz NOBCMNQFKYLWDW-ZDUSSCGKSA-N 0 0 334.379 4.365 50 0 EIAARN C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nocc5C[C@]4(C)[C@H]3CC[C@]21C ZINC000043866902 563975804 /nfs/dbraw/zinc/97/58/04/563975804.db2.gz NSYTUNFHWYMMHU-ADDDSGAWSA-N 0 0 329.484 4.383 50 0 EIAARN O=C(NCc1ccncc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000043932526 563976395 /nfs/dbraw/zinc/97/63/95/563976395.db2.gz YEMSZDOKSQNGDO-UHFFFAOYSA-N 0 0 344.374 4.212 50 0 EIAARN COc1ccc(CCNc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000089450 563976439 /nfs/dbraw/zinc/97/64/39/563976439.db2.gz SYERUQGZRFOXGO-UHFFFAOYSA-N 0 0 339.464 4.233 50 0 EIAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccc(N(C)C)cc1 ZINC000000090650 563976513 /nfs/dbraw/zinc/97/65/13/563976513.db2.gz HMPITKOBVTZOBA-UHFFFAOYSA-N 0 0 335.407 4.221 50 0 EIAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OC)cc1 ZINC000000090615 563976541 /nfs/dbraw/zinc/97/65/41/563976541.db2.gz SYKGNAHGICGDQU-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN O=C(c1ccccn1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095501077 563977097 /nfs/dbraw/zinc/97/70/97/563977097.db2.gz UUASSBAXTYZCIH-UHFFFAOYSA-N 0 0 342.442 4.304 50 0 EIAARN CC(C)Cc1cc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)no1 ZINC000095501522 563977105 /nfs/dbraw/zinc/97/71/05/563977105.db2.gz WWUNOGQSKJWKIO-FQEVSTJZSA-N 0 0 326.440 4.067 50 0 EIAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC000095515406 563977295 /nfs/dbraw/zinc/97/72/95/563977295.db2.gz KAXUDNWEDMVLAY-KRWDZBQOSA-N 0 0 343.446 4.151 50 0 EIAARN CSC[C@@H]1CCCN(C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000095518927 563977382 /nfs/dbraw/zinc/97/73/82/563977382.db2.gz CPDBMZMIQCUBJY-CYBMUJFWSA-N 0 0 347.509 4.417 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@@H](c2nccc(-c3cccs3)n2)C1 ZINC000096032171 563977903 /nfs/dbraw/zinc/97/79/03/563977903.db2.gz NYNIBOUKVXPVBR-CYBMUJFWSA-N 0 0 345.468 4.320 50 0 EIAARN CCCO[C@H]1CCCN(C(=O)Nc2cccc(-n3cccc3)c2C)C1 ZINC000096148724 563979595 /nfs/dbraw/zinc/97/95/95/563979595.db2.gz NXUZYDKJXHHCGO-KRWDZBQOSA-N 0 0 341.455 4.209 50 0 EIAARN CC(C)Oc1c(Cl)cccc1NC(=O)N(C)[C@H](C)c1ccon1 ZINC000096180875 563980075 /nfs/dbraw/zinc/98/00/75/563980075.db2.gz VVFWDZBFJLFYQT-LLVKDONJSA-N 0 0 337.807 4.340 50 0 EIAARN Cc1cscc1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000176233902 563981215 /nfs/dbraw/zinc/98/12/15/563981215.db2.gz JWYLBWQIFHMYFB-HNNXBMFYSA-N 0 0 327.409 4.037 50 0 EIAARN CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(OC)ccc1Br ZINC000095459132 563983202 /nfs/dbraw/zinc/98/32/02/563983202.db2.gz PSDYGMZEQDUBIR-QWRGUYRKSA-N 0 0 341.249 4.253 50 0 EIAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)NC1CCCCCCC1 ZINC000014267283 563983810 /nfs/dbraw/zinc/98/38/10/563983810.db2.gz XYTQTANXZQLGTB-UHFFFAOYSA-N 0 0 334.485 4.248 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2cc(C(C)C)n(-c3ccccn3)n2)c1 ZINC000120006307 563983915 /nfs/dbraw/zinc/98/39/15/563983915.db2.gz MIKJYKZEIMYWGX-UHFFFAOYSA-N 0 0 334.423 4.260 50 0 EIAARN COc1ccc(Nc2cc(C)nc3nc(-c4cccc(C)c4)nn32)cc1 ZINC000014610554 563986159 /nfs/dbraw/zinc/98/61/59/563986159.db2.gz IFGWJTPBMVAVNE-UHFFFAOYSA-N 0 0 345.406 4.160 50 0 EIAARN Cc1ccc2oc(-c3cc(Cl)cc4c3OCOC4)cc(=O)c2c1 ZINC000000138830 563987061 /nfs/dbraw/zinc/98/70/61/563987061.db2.gz CVRAPDYUWARLSZ-UHFFFAOYSA-N 0 0 328.751 4.288 50 0 biogenic EIAARN CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(OC)cc1OC ZINC000000147272 563987182 /nfs/dbraw/zinc/98/71/82/563987182.db2.gz SZBFEIBXKJTLSF-ACCUITESSA-N 0 0 339.435 4.481 50 0 EIAARN CN(Cc1ccc(O)cc1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000044162253 563987466 /nfs/dbraw/zinc/98/74/66/563987466.db2.gz NDTOUQZBPWIWLB-UHFFFAOYSA-N 0 0 340.370 4.240 50 0 EIAARN Cc1ccccc1C1=N/C(=C\c2ccccc2C(F)(F)F)C(=O)O1 ZINC000000177979 563987713 /nfs/dbraw/zinc/98/77/13/563987713.db2.gz QHEPWESOMOABRZ-GDNBJRDFSA-N 0 0 331.293 4.358 50 0 EIAARN Cc1ccccc1C1=N/C(=C\c2cc(Br)cs2)C(=O)O1 ZINC000000178052 563987728 /nfs/dbraw/zinc/98/77/28/563987728.db2.gz FUUZYTZOOWONLQ-QPEQYQDCSA-N 0 0 348.221 4.164 50 0 EIAARN COc1ccccc1/C=C/C1=N/C(=C\c2ccccc2Cl)C(=O)O1 ZINC000000178492 563987751 /nfs/dbraw/zinc/98/77/51/563987751.db2.gz HNVSDUHVHLFXMA-ZBUTWXCBSA-N 0 0 339.778 4.358 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c1 ZINC000000189418 563988054 /nfs/dbraw/zinc/98/80/54/563988054.db2.gz YNRPMOIKYPCMES-UHFFFAOYSA-N 0 0 329.469 4.254 50 0 EIAARN O=C(Nc1c(-c2cccs2)nc2ccccn21)c1ccccc1F ZINC000000201397 563988385 /nfs/dbraw/zinc/98/83/85/563988385.db2.gz KCJHYVRTTFTJFF-UHFFFAOYSA-N 0 0 337.379 4.454 50 0 EIAARN CSc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(=S)N2C)cc1 ZINC000000210398 563988567 /nfs/dbraw/zinc/98/85/67/563988567.db2.gz BXLUZKXGBSKTQY-FOWTUZBSSA-N 0 0 346.521 4.141 50 0 EIAARN Cc1cccc(CSc2nc3c4ccccc4[nH]c3c(=O)n2C)c1 ZINC000000213998 563988603 /nfs/dbraw/zinc/98/86/03/563988603.db2.gz OSBQYRZJBXBKDE-UHFFFAOYSA-N 0 0 335.432 4.016 50 0 EIAARN CCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(C)cc1 ZINC000000214024 563988616 /nfs/dbraw/zinc/98/86/16/563988616.db2.gz VWYXENCTSVJJDE-UHFFFAOYSA-N 0 0 335.432 4.287 50 0 EIAARN COc1nc(Nc2ccc(Cl)cc2)nc(NC2CCCCC2)n1 ZINC000000223801 563988916 /nfs/dbraw/zinc/98/89/16/563988916.db2.gz XTNDPWKYYZYPHL-UHFFFAOYSA-N 0 0 333.823 4.022 50 0 EIAARN Cc1cccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c1 ZINC000000226901 563988983 /nfs/dbraw/zinc/98/89/83/563988983.db2.gz LJELSRDGWOYYLE-OAQYLSRUSA-N 0 0 344.414 4.046 50 0 EIAARN CCc1cc(C(=O)Cc2csc(-c3ccccc3)n2)c(O)cc1O ZINC000000238463 563989064 /nfs/dbraw/zinc/98/90/64/563989064.db2.gz BVQQIUOKZIUFRA-UHFFFAOYSA-N 0 0 339.416 4.209 50 0 EIAARN CCCc1nc2c(sc(=S)n2-c2ccccc2)c(N(C)C)n1 ZINC000000118006 563989073 /nfs/dbraw/zinc/98/90/73/563989073.db2.gz ZOMRMNZFLQIDPK-UHFFFAOYSA-N 0 0 330.482 4.230 50 0 EIAARN CC(C)C(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000000241432 563989179 /nfs/dbraw/zinc/98/91/79/563989179.db2.gz ZHSJWQULLGUQDL-NSHDSACASA-N 0 0 344.069 4.220 50 0 EIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1F ZINC000000253037 563989429 /nfs/dbraw/zinc/98/94/29/563989429.db2.gz ZJKWYCQLJIRNPH-UHFFFAOYSA-N 0 0 327.311 4.001 50 0 EIAARN CCc1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)c1 ZINC000000248236 563989444 /nfs/dbraw/zinc/98/94/44/563989444.db2.gz BGIJKXNPYKVRMD-LJQANCHMSA-N 0 0 344.499 4.299 50 0 EIAARN Cn1c(C(=O)NCc2ccccc2Cl)cc2sc(Cl)cc21 ZINC000000254370 563989529 /nfs/dbraw/zinc/98/95/29/563989529.db2.gz YHZMNRIYEZDELV-UHFFFAOYSA-N 0 0 339.247 4.477 50 0 EIAARN Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)c(Cl)c1 ZINC000000264082 563989844 /nfs/dbraw/zinc/98/98/44/563989844.db2.gz NJGKRUPEQPQQKG-UHFFFAOYSA-N 0 0 326.783 4.054 50 0 EIAARN Cc1ccccc1CSCC(=O)NCCc1ccc(Cl)cc1 ZINC000000260439 563989922 /nfs/dbraw/zinc/98/99/22/563989922.db2.gz VADUOQKEUPFGOE-UHFFFAOYSA-N 0 0 333.884 4.241 50 0 EIAARN CCC1(CC)Cc2ccccc2-c2nc3n(c(=O)c21)CCCS3 ZINC000000267377 563990022 /nfs/dbraw/zinc/99/00/22/563990022.db2.gz MAIUCFVBTHVEGD-UHFFFAOYSA-N 0 0 326.465 4.020 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000000292803 563990279 /nfs/dbraw/zinc/99/02/79/563990279.db2.gz ZQCMJLKOUUYGSA-UHFFFAOYSA-N 0 0 344.414 4.416 50 0 EIAARN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1ccccn1 ZINC000060976488 563992246 /nfs/dbraw/zinc/99/22/46/563992246.db2.gz OJIQELXOXXPFGQ-UHFFFAOYSA-N 0 0 345.402 4.005 50 0 EIAARN Cc1sc(C(=O)[O-])cc1C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000408521822 563993195 /nfs/dbraw/zinc/99/31/95/563993195.db2.gz KIUVEULBXKTGFZ-XHDPSFHLSA-N 0 0 333.428 4.272 50 0 EIAARN O=C(Cc1cccs1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000061336446 563993931 /nfs/dbraw/zinc/99/39/31/563993931.db2.gz FSQVFIRGQOCANQ-UHFFFAOYSA-N 0 0 349.455 4.209 50 0 EIAARN O=C(Cc1cccs1)Nc1nc(-c2ccc3c(c2)COC3)cs1 ZINC000061340508 563993960 /nfs/dbraw/zinc/99/39/60/563993960.db2.gz UIPAKMSTBMPEJP-UHFFFAOYSA-N 0 0 342.445 4.083 50 0 EIAARN CC(C)(C)NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000005146424 563994661 /nfs/dbraw/zinc/99/46/61/563994661.db2.gz XLTKDUQEEDBFIV-UHFFFAOYSA-N 0 0 347.871 4.173 50 0 EIAARN FC(F)n1ccnc1CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000073121822 563994870 /nfs/dbraw/zinc/99/48/70/563994870.db2.gz KVNNVLRXYWCXSL-UHFFFAOYSA-N 0 0 347.350 4.102 50 0 EIAARN FC(F)(F)c1cc(Br)c(Cl)c(Br)n1 ZINC000238564873 563995556 /nfs/dbraw/zinc/99/55/56/563995556.db2.gz JAYBRSIEXNYICA-UHFFFAOYSA-N 0 0 339.336 4.279 50 0 EIAARN Cc1c(NC(=O)[C@H](C)c2cccc(C)c2)cnn1-c1ccccc1F ZINC000129617290 563996155 /nfs/dbraw/zinc/99/61/55/563996155.db2.gz WWDQNXGCWNJSJR-CQSZACIVSA-N 0 0 337.398 4.370 50 0 EIAARN CCCc1nc(CN(C)C(=O)c2ccc(-c3cccs3)cc2)no1 ZINC000426506829 563996205 /nfs/dbraw/zinc/99/62/05/563996205.db2.gz PDAOJVNGVJJETR-UHFFFAOYSA-N 0 0 341.436 4.023 50 0 EIAARN O=C(c1cccc(-c2cc(F)ccc2O)c1)N1C[C@@H]2CCC[C@@H](C2)C1 ZINC000426535752 563996303 /nfs/dbraw/zinc/99/63/03/563996303.db2.gz XQHXOBBGONKPOG-GASCZTMLSA-N 0 0 339.410 4.461 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000000147373 563996604 /nfs/dbraw/zinc/99/66/04/563996604.db2.gz LGFJYTFYWALUMR-WEVVVXLNSA-N 0 0 331.799 4.318 50 0 EIAARN CCn1ccc(=O)c(NC(=O)c2sccc2-c2ccc(C)cc2)c1 ZINC000135286778 563997037 /nfs/dbraw/zinc/99/70/37/563997037.db2.gz BMGCNWAQRPFLEZ-UHFFFAOYSA-N 0 0 338.432 4.157 50 0 EIAARN Cc1cc(F)c2c(c1)CCCN2Cc1csc([C@H]2CCCO2)n1 ZINC000136035338 563997575 /nfs/dbraw/zinc/99/75/75/563997575.db2.gz PEOUYKMKQIQRFJ-MRXNPFEDSA-N 0 0 332.444 4.395 50 0 EIAARN CCc1nc2sc3c(ncnc3N3CCCC3)c2c2c1CCCC2 ZINC000000203343 563997955 /nfs/dbraw/zinc/99/79/55/563997955.db2.gz WKCRHOYKYVYWMU-UHFFFAOYSA-N 0 0 338.480 4.281 50 0 EIAARN O=C(NCCn1ccc2ccccc21)c1ccccc1C(F)(F)F ZINC000000427858 563998838 /nfs/dbraw/zinc/99/88/38/563998838.db2.gz FRVOFDUGZPKKMK-UHFFFAOYSA-N 0 0 332.325 4.090 50 0 EIAARN COc1ccc2nc3sc(C(=O)N4CCCCC4)cc3cc2c1 ZINC000000428371 563998876 /nfs/dbraw/zinc/99/88/76/563998876.db2.gz DDUGGYXTWGNQPI-UHFFFAOYSA-N 0 0 326.421 4.084 50 0 EIAARN Cc1ccccc1-n1nc2c(c1NC(=O)C1CCCC1)CSC2 ZINC000000425758 563998963 /nfs/dbraw/zinc/99/89/63/563998963.db2.gz GCLNNTQLQNLQFW-UHFFFAOYSA-N 0 0 327.453 4.056 50 0 EIAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C1CCCCC1 ZINC000000425768 563999005 /nfs/dbraw/zinc/99/90/05/563999005.db2.gz IGKMNPADRXULOX-UHFFFAOYSA-N 0 0 345.443 4.277 50 0 EIAARN COc1ccc(NC(=S)N(C)Cc2cn(C)c3ccccc23)cc1 ZINC000000429203 563999122 /nfs/dbraw/zinc/99/91/22/563999122.db2.gz YRTVASRXYSZTLB-UHFFFAOYSA-N 0 0 339.464 4.016 50 0 EIAARN COc1ccc2cc3cc(C(=O)N4C[C@H](C)C[C@@H](C)C4)oc3nc2c1 ZINC000000429142 563999129 /nfs/dbraw/zinc/99/91/29/563999129.db2.gz XNCMBWIECGLVFO-CHWSQXEVSA-N 0 0 338.407 4.108 50 0 EIAARN CC(C)n1ncc(C(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)c1N ZINC000253419824 563999162 /nfs/dbraw/zinc/99/91/62/563999162.db2.gz DZKJVBMBVUMMSK-GFCCVEGCSA-N 0 0 346.862 4.065 50 0 EIAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000430403 563999368 /nfs/dbraw/zinc/99/93/68/563999368.db2.gz SDOCBRFMXICXDS-LDADJPATSA-N 0 0 344.326 4.093 50 0 EIAARN COc1cccc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)c1 ZINC000000430328 563999369 /nfs/dbraw/zinc/99/93/69/563999369.db2.gz WTTRXNDXVSIMII-NVNXTCNLSA-N 0 0 348.185 4.347 50 0 EIAARN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](CO)C(C)(C)O2 ZINC000000215414 563999609 /nfs/dbraw/zinc/99/96/09/563999609.db2.gz NUQAIFPOAPOUGS-KRWDZBQOSA-N 0 0 326.436 4.438 50 0 EIAARN Cc1ccc2cccc(OCC(=O)N[C@H](C)CCc3ccccc3)c2n1 ZINC000005198605 564000338 /nfs/dbraw/zinc/00/03/38/564000338.db2.gz RYSRPEUJJVNCHJ-MRXNPFEDSA-N 0 0 348.446 4.060 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000005235149 564001409 /nfs/dbraw/zinc/00/14/09/564001409.db2.gz JUTOPTUNWKLUEA-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN O=C(Nc1nnc(C2CCCCC2)s1)c1noc2c1CCCCC2 ZINC000061721641 564000559 /nfs/dbraw/zinc/00/05/59/564000559.db2.gz VTKNGJSVPGPIDH-UHFFFAOYSA-N 0 0 346.456 4.095 50 0 EIAARN Cc1cccc(OCCn2c3ccccc3nc2CN2CCCCC2)c1 ZINC000005209322 564000658 /nfs/dbraw/zinc/00/06/58/564000658.db2.gz PFJCAMDWFZWLMU-UHFFFAOYSA-N 0 0 349.478 4.410 50 0 EIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1-c1ccc(C)cc1 ZINC000002715812 564001293 /nfs/dbraw/zinc/00/12/93/564001293.db2.gz HSKRUTHOJFHMLO-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN C[C@H]1CCc2c(C(=O)Nc3nc4c(s3)CCCC4)csc2C1 ZINC000005235411 564001394 /nfs/dbraw/zinc/00/13/94/564001394.db2.gz BVRDDOOARQMUTN-JTQLQIEISA-N 0 0 332.494 4.461 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3s2)c1 ZINC000005243965 564001504 /nfs/dbraw/zinc/00/15/04/564001504.db2.gz UPXAVZVCGDQHQS-UHFFFAOYSA-N 0 0 325.389 4.249 50 0 EIAARN Cc1ccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)C(C)C)cc1 ZINC000005241922 564001506 /nfs/dbraw/zinc/00/15/06/564001506.db2.gz JZTZJXWZXDCPCD-UHFFFAOYSA-N 0 0 334.419 4.108 50 0 EIAARN CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1C1CC1 ZINC000179252490 564001683 /nfs/dbraw/zinc/00/16/83/564001683.db2.gz GGKDIHLEYYPDMH-DGCLKSJQSA-N 0 0 343.393 4.146 50 0 EIAARN Cc1cc2ccccc2n1CCNC(=O)Nc1c[nH]c2ccccc12 ZINC000005265506 564001686 /nfs/dbraw/zinc/00/16/86/564001686.db2.gz YPDFICJBQSUJNM-UHFFFAOYSA-N 0 0 332.407 4.253 50 0 EIAARN CCOc1ccc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)nn1 ZINC000005259624 564001764 /nfs/dbraw/zinc/00/17/64/564001764.db2.gz RZHOELOLTRTUAY-UHFFFAOYSA-N 0 0 333.391 4.103 50 0 EIAARN Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)c1 ZINC000005267954 564001801 /nfs/dbraw/zinc/00/18/01/564001801.db2.gz RPSRDQXMWPAPPJ-UHFFFAOYSA-N 0 0 342.464 4.096 50 0 EIAARN Cc1ncc(-c2ccc(NC(=O)C[C@H](C)c3c(C)n[nH]c3C)cc2)o1 ZINC000179441024 564002000 /nfs/dbraw/zinc/00/20/00/564002000.db2.gz LMKJSUQPNSABOH-NSHDSACASA-N 0 0 338.411 4.122 50 0 EIAARN Cc1nc(/C=C2/N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cs1 ZINC000096635066 564002181 /nfs/dbraw/zinc/00/21/81/564002181.db2.gz KJNWYLWARCIXPR-LFYBBSHMSA-N 0 0 339.203 4.103 50 0 EIAARN Cc1cccc(Cn2cccc(C(=O)Nc3c(C)cccc3C)c2=O)c1 ZINC000005269706 564002210 /nfs/dbraw/zinc/00/22/10/564002210.db2.gz MEWJGBPVAGRRTN-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN C[C@H](Sc1nnc(-c2ccco2)o1)c1nnc(-c2ccccc2)o1 ZINC000005316371 564002588 /nfs/dbraw/zinc/00/25/88/564002588.db2.gz WGAQCTJWGITGHJ-JTQLQIEISA-N 0 0 340.364 4.233 50 0 EIAARN COc1cccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000005335643 564002694 /nfs/dbraw/zinc/00/26/94/564002694.db2.gz AWMUSLFVCYPOQQ-UHFFFAOYSA-N 0 0 348.402 4.456 50 0 EIAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cccnc2)cc1 ZINC000005347271 564002932 /nfs/dbraw/zinc/00/29/32/564002932.db2.gz BOAATSIVTYJACL-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCC2 ZINC000005378282 564003136 /nfs/dbraw/zinc/00/31/36/564003136.db2.gz ANWFOOGTTBXEDT-UHFFFAOYSA-N 0 0 334.828 4.101 50 0 EIAARN CCc1noc(C)c1C(=O)OCc1cc2ccccc2nc1Cl ZINC000005391421 564003537 /nfs/dbraw/zinc/00/35/37/564003537.db2.gz UHIYEAJYKUIZAW-UHFFFAOYSA-N 0 0 330.771 4.104 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)Cc1c(F)cccc1Cl ZINC000005406299 564003696 /nfs/dbraw/zinc/00/36/96/564003696.db2.gz FPAKWTIAWWWHOQ-UHFFFAOYSA-N 0 0 348.830 4.290 50 0 EIAARN O=C(Oc1cc2sc(=O)oc2c(-c2ccccc2)c1)c1ccco1 ZINC000005425368 564003798 /nfs/dbraw/zinc/00/37/98/564003798.db2.gz APHSMRAPUNDCSE-UHFFFAOYSA-N 0 0 338.340 4.334 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1Cl ZINC000002644042 564003936 /nfs/dbraw/zinc/00/39/36/564003936.db2.gz PDGDJWXSIVDZAS-UHFFFAOYSA-N 0 0 326.783 4.233 50 0 EIAARN C[C@H](OC(=O)c1cc2ccccc2o1)c1nnc(-c2cccs2)o1 ZINC000005472201 564004444 /nfs/dbraw/zinc/00/44/44/564004444.db2.gz XZJYTRIIKJBGAL-JTQLQIEISA-N 0 0 340.360 4.462 50 0 EIAARN Cc1cc(C)n2nc(SCc3ccc(Cl)c(Cl)c3)nc2n1 ZINC000003362461 564004474 /nfs/dbraw/zinc/00/44/74/564004474.db2.gz RVUWDBWQQMBBMB-UHFFFAOYSA-N 0 0 339.251 4.340 50 0 EIAARN CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 ZINC000005525926 564004974 /nfs/dbraw/zinc/00/49/74/564004974.db2.gz KPQKKMVTRAAYBE-UHFFFAOYSA-N 0 0 346.217 4.206 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000005559063 564005490 /nfs/dbraw/zinc/00/54/90/564005490.db2.gz IPFPGYRCNIVGBE-GFCCVEGCSA-N 0 0 342.395 4.355 50 0 EIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1C ZINC000005573894 564005741 /nfs/dbraw/zinc/00/57/41/564005741.db2.gz MWHUOKZMCAZPBJ-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc2nccnc2c1 ZINC000005421417 564006039 /nfs/dbraw/zinc/00/60/39/564006039.db2.gz KBZFIYCBASKAMK-UHFFFAOYSA-N 0 0 333.174 4.294 50 0 EIAARN O=S(=O)(Nc1ccc2c(c1)CCC2)c1cc(Cl)cc(Cl)c1 ZINC000005601652 564006277 /nfs/dbraw/zinc/00/62/77/564006277.db2.gz RHDNSFDDKNURNV-UHFFFAOYSA-N 0 0 342.247 4.283 50 0 EIAARN O=C(CSc1ccc2ccccc2n1)NCCCc1ccccc1 ZINC000005627492 564006720 /nfs/dbraw/zinc/00/67/20/564006720.db2.gz MCVBRYSXBXJRPA-UHFFFAOYSA-N 0 0 336.460 4.076 50 0 EIAARN CC(=O)O[C@H]1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1 ZINC000005632091 564006782 /nfs/dbraw/zinc/00/67/82/564006782.db2.gz YHGAJNCPGNEYSX-KRWDZBQOSA-N 0 0 335.403 4.167 50 0 EIAARN Cc1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1O ZINC000014702963 564007092 /nfs/dbraw/zinc/00/70/92/564007092.db2.gz ZSJKZNZYYWMCQB-UHFFFAOYSA-N 0 0 331.418 4.243 50 0 EIAARN CC[C@H]1C[C@H](CC(=O)NCc2nc(-c3ccccc3)cs2)CCO1 ZINC000272722124 564007458 /nfs/dbraw/zinc/00/74/58/564007458.db2.gz AGLAZOCELLDHRM-ZBFHGGJFSA-N 0 0 344.480 4.022 50 0 EIAARN Cc1nc(C)c(C(=O)NC[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)o1 ZINC000156617137 564009177 /nfs/dbraw/zinc/00/91/77/564009177.db2.gz KLDKNKWNIQNGHI-ZWNOBZJWSA-N 0 0 339.222 4.132 50 0 EIAARN O=C([C@@H]1C[C@H]1c1cccnc1)N(CC1CCCCC1)c1ccccn1 ZINC000157502008 564010933 /nfs/dbraw/zinc/01/09/33/564010933.db2.gz GHRLWTHBJKYKBY-RBUKOAKNSA-N 0 0 335.451 4.194 50 0 EIAARN CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(F)cc2)n1 ZINC000017296748 564011528 /nfs/dbraw/zinc/01/15/28/564011528.db2.gz PABWYYBFFHTZRL-UHFFFAOYSA-N 0 0 348.385 4.130 50 0 EIAARN CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)c(OCC)c1 ZINC000017299835 564011564 /nfs/dbraw/zinc/01/15/64/564011564.db2.gz BIZXHGQMSQSCTC-SEJMYLSOSA-N 0 0 349.452 4.319 50 0 EIAARN Cc1cccc(Nc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000017325872 564011633 /nfs/dbraw/zinc/01/16/33/564011633.db2.gz IPMUVEPAMQESID-HOTGVXAUSA-N 0 0 338.451 4.296 50 0 EIAARN CN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCCCC1 ZINC000017356815 564011740 /nfs/dbraw/zinc/01/17/40/564011740.db2.gz NBRXUQNHESQSAT-UHFFFAOYSA-N 0 0 342.464 4.405 50 0 EIAARN Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1C2 ZINC000409413560 564012239 /nfs/dbraw/zinc/01/22/39/564012239.db2.gz GHWUZZCCPXLMSI-APEJVOGHSA-N 0 0 328.500 4.135 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000042703 564012267 /nfs/dbraw/zinc/01/22/67/564012267.db2.gz CXSGIAOOFDJGQD-UHFFFAOYSA-N 0 0 337.828 4.447 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1ccc2ccccc2c1 ZINC000000293855 564012331 /nfs/dbraw/zinc/01/23/31/564012331.db2.gz FPBSNXMFWTYWOZ-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN COc1ccc(CNc2ccc(Br)cc2C)c(OC)c1 ZINC000000439031 564012626 /nfs/dbraw/zinc/01/26/26/564012626.db2.gz VIRZOJOMVSHOMM-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)c2ccc(Br)cc2)cc1 ZINC000000453312 564012669 /nfs/dbraw/zinc/01/26/69/564012669.db2.gz PNNMXDUDOPVFKQ-UHFFFAOYSA-N 0 0 347.208 4.304 50 0 EIAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000000588421 564012861 /nfs/dbraw/zinc/01/28/61/564012861.db2.gz NFJKZBDELJEFNL-AWEZNQCLSA-N 0 0 343.423 4.235 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1 ZINC000002191124 564013264 /nfs/dbraw/zinc/01/32/64/564013264.db2.gz AHOCPGIJCBCMAD-SFHVURJKSA-N 0 0 341.407 4.050 50 0 EIAARN CCOc1cccc(OCCOc2cccc(Br)c2)c1 ZINC000002984229 564013478 /nfs/dbraw/zinc/01/34/78/564013478.db2.gz LVSLYXKWJICJHV-UHFFFAOYSA-N 0 0 337.213 4.306 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccccc2Br)cc1 ZINC000005526977 564014070 /nfs/dbraw/zinc/01/40/70/564014070.db2.gz GZMCXTZZXMWPJT-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccccc2F)n1 ZINC000016578374 564014438 /nfs/dbraw/zinc/01/44/38/564014438.db2.gz AZASHRSRDUVZAN-UHFFFAOYSA-N 0 0 345.761 4.019 50 0 EIAARN O=C(NCc1ccncc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000484121 564016917 /nfs/dbraw/zinc/01/69/17/564016917.db2.gz ZSUZRAOVNRYTNE-LJQANCHMSA-N 0 0 334.444 4.231 50 0 EIAARN FC(F)(F)c1ccc(N2CCC(F)(F)C2)cc1Br ZINC000169725651 564017186 /nfs/dbraw/zinc/01/71/86/564017186.db2.gz ZLXKDXVKLDLRMX-UHFFFAOYSA-N 0 0 330.094 4.313 50 0 EIAARN CCc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000044285240 564017235 /nfs/dbraw/zinc/01/72/35/564017235.db2.gz IEDLMKBSYOFYNP-UHFFFAOYSA-N 0 0 325.799 4.340 50 0 EIAARN O=C(NCCN1CCCc2ccccc21)Nc1cccc2ccccc21 ZINC000000492771 564017637 /nfs/dbraw/zinc/01/76/37/564017637.db2.gz QSBRCPGMAKKMCD-UHFFFAOYSA-N 0 0 345.446 4.414 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2cccc3c2CCCC3)cc1OC ZINC000000496589 564018044 /nfs/dbraw/zinc/01/80/44/564018044.db2.gz RCWLVXBNNZPFIK-ACCUITESSA-N 0 0 337.419 4.235 50 0 EIAARN Cc1cccnc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1 ZINC000000497541 564018079 /nfs/dbraw/zinc/01/80/79/564018079.db2.gz AJNJBGBVWVCWBF-UHFFFAOYSA-N 0 0 340.452 4.310 50 0 EIAARN Cc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1Cl ZINC000018177832 564018551 /nfs/dbraw/zinc/01/85/51/564018551.db2.gz HAEHRZWBLJQXKS-UHFFFAOYSA-N 0 0 327.815 4.494 50 0 EIAARN Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 ZINC000005689795 564018892 /nfs/dbraw/zinc/01/88/92/564018892.db2.gz GWLLZGNRXPCJLR-MRXNPFEDSA-N 0 0 342.826 4.009 50 0 EIAARN CC(C)C(=O)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000101368254 564019397 /nfs/dbraw/zinc/01/93/97/564019397.db2.gz VIVMFKAYNKKBFX-UHFFFAOYSA-N 0 0 328.412 4.132 50 0 EIAARN Cc1ccc(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 ZINC000101416090 564019442 /nfs/dbraw/zinc/01/94/42/564019442.db2.gz LDYHTZBYAKOHHO-MHWRWJLKSA-N 0 0 342.395 4.240 50 0 EIAARN COc1ccc(C)cc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000005701154 564019467 /nfs/dbraw/zinc/01/94/67/564019467.db2.gz BFZCAJNGMXIVBA-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cnccn1 ZINC000005705215 564019608 /nfs/dbraw/zinc/01/96/08/564019608.db2.gz NPZPMMJROGHLII-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN C[C@H]1CCCN(c2ncnc3c4cc(Br)ccc4[nH]c32)C1 ZINC000000509363 564019922 /nfs/dbraw/zinc/01/99/22/564019922.db2.gz AICUOFFLXFLZMX-JTQLQIEISA-N 0 0 345.244 4.110 50 0 EIAARN Cc1cccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC000102165826 564019924 /nfs/dbraw/zinc/01/99/24/564019924.db2.gz LJBOBFXTXNQJOL-BPQIPLTHSA-N 0 0 332.440 4.156 50 0 EIAARN CCCn1c(=O)c2c(nc1SC)-c1ccccc1CC21CCCC1 ZINC000000520427 564020964 /nfs/dbraw/zinc/02/09/64/564020964.db2.gz ZQPOIVUZAAIQTF-UHFFFAOYSA-N 0 0 340.492 4.410 50 0 EIAARN Cc1ccccc1NCCC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000024469457 564021315 /nfs/dbraw/zinc/02/13/15/564021315.db2.gz AFURIBRDAYOTRS-UHFFFAOYSA-N 0 0 338.329 4.334 50 0 EIAARN C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000014244465 564022045 /nfs/dbraw/zinc/02/20/45/564022045.db2.gz DFTBOQNNKBDRTO-SNVBAGLBSA-N 0 0 337.192 4.471 50 0 EIAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000000534581 564022048 /nfs/dbraw/zinc/02/20/48/564022048.db2.gz JJGJNAFYZKTREZ-MRXNPFEDSA-N 0 0 333.435 4.275 50 0 EIAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N1CCC[C@H](C)C1 ZINC000103436088 564022409 /nfs/dbraw/zinc/02/24/09/564022409.db2.gz GPCPYXWKQMVFMV-NWDGAFQWSA-N 0 0 343.452 4.038 50 0 EIAARN Cc1cccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)c1 ZINC000000547782 564022811 /nfs/dbraw/zinc/02/28/11/564022811.db2.gz OWBLTDOJKNCVKG-UHFFFAOYSA-N 0 0 326.399 4.285 50 0 EIAARN CC1(C)C[C@H]([C@H](CC(=O)Nc2nccs2)c2ccccc2)CCO1 ZINC000000550249 564022882 /nfs/dbraw/zinc/02/28/82/564022882.db2.gz BIGDMJGRSNELTA-HZPDHXFCSA-N 0 0 344.480 4.461 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3F)s2)cc1 ZINC000000549195 564022904 /nfs/dbraw/zinc/02/29/04/564022904.db2.gz WWIISNQHOLAVGS-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN c1ccc(C2=Nc3ccccc3N=C3CN(c4ccccc4)N[C@@H]32)cc1 ZINC000104646888 564023936 /nfs/dbraw/zinc/02/39/36/564023936.db2.gz KHKWNLYYAHLINH-QFIPXVFZSA-N 0 0 338.414 4.468 50 0 EIAARN Cc1nnc(CN[C@H](Cc2ccccc2Cl)c2ccccc2)o1 ZINC000181601186 564024191 /nfs/dbraw/zinc/02/41/91/564024191.db2.gz QVNYQNJIPZAXPM-QGZVFWFLSA-N 0 0 327.815 4.105 50 0 EIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1F ZINC000016053474 564024441 /nfs/dbraw/zinc/02/44/41/564024441.db2.gz MBERTQHVKQESIZ-UHFFFAOYSA-N 0 0 331.696 4.428 50 0 EIAARN O=C(CCc1ccccn1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000062867073 564024751 /nfs/dbraw/zinc/02/47/51/564024751.db2.gz ABXBEZHMMFSXLM-JOCHJYFZSA-N 0 0 342.442 4.189 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000005748448 564025008 /nfs/dbraw/zinc/02/50/08/564025008.db2.gz AIYIRMPXLZCNMR-ZDUSSCGKSA-N 0 0 345.826 4.189 50 0 EIAARN Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000046814926 564025397 /nfs/dbraw/zinc/02/53/97/564025397.db2.gz ODPRBYFTWRVFIT-CVEARBPZSA-N 0 0 333.435 4.221 50 0 EIAARN Cc1cccc(NC(=O)c2ccccc2Cl)c1C(=O)N1CCCC1 ZINC000046909657 564025462 /nfs/dbraw/zinc/02/54/62/564025462.db2.gz CJLIZTWDRXUACY-UHFFFAOYSA-N 0 0 342.826 4.137 50 0 EIAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)Cc1c(C)noc1C ZINC000046960685 564025629 /nfs/dbraw/zinc/02/56/29/564025629.db2.gz LVJBYWKCBVXJAU-INIZCTEOSA-N 0 0 345.443 4.048 50 0 EIAARN COc1ccc(-c2csc3ncnc(NCc4cccnc4)c23)cc1 ZINC000002658469 564025938 /nfs/dbraw/zinc/02/59/38/564025938.db2.gz IKLKRZNNBRANIY-UHFFFAOYSA-N 0 0 348.431 4.374 50 0 EIAARN Cc1cccc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)c1 ZINC000002800532 564026030 /nfs/dbraw/zinc/02/60/30/564026030.db2.gz YFDJZIJWJKYJBH-UHFFFAOYSA-N 0 0 334.347 4.458 50 0 EIAARN O=C(Cc1ccc(-n2cccc2)cc1)Nc1nc(-c2ccc[nH]2)cs1 ZINC000047431091 564026285 /nfs/dbraw/zinc/02/62/85/564026285.db2.gz QLVWJLDQCKDLEN-UHFFFAOYSA-N 0 0 348.431 4.110 50 0 EIAARN COc1ncccc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000047553638 564026425 /nfs/dbraw/zinc/02/64/25/564026425.db2.gz LZUWXMRZLQSWBI-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN C[C@H](Sc1nc2ccccc2s1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000106539086 564026440 /nfs/dbraw/zinc/02/64/40/564026440.db2.gz OVECKDAXVBMALR-XQQFMLRXSA-N 0 0 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CCC(CC)C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000001006482 564054005 /nfs/dbraw/zinc/05/40/05/564054005.db2.gz CNXMWVCDDXQTNR-UHFFFAOYSA-N 0 0 328.387 4.453 50 0 EIAARN CN(C)c1ccc(-c2nc(C(F)(F)F)cc(C(F)(F)F)n2)cc1 ZINC000001009899 564054054 /nfs/dbraw/zinc/05/40/54/564054054.db2.gz WWBVPBXTUSBBFZ-UHFFFAOYSA-N 0 0 335.251 4.247 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257345963 564055870 /nfs/dbraw/zinc/05/58/70/564055870.db2.gz NTIDOCUQWIFRTK-SUGYDSBTSA-N 0 0 334.500 4.179 50 0 EIAARN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1O ZINC000257346315 564055901 /nfs/dbraw/zinc/05/59/01/564055901.db2.gz YATPIFKIZZKJFX-XGFHXOJWSA-N 0 0 334.500 4.322 50 0 EIAARN Cc1ccc(OCCn2c3ccccc3nc2CN2CCCC2)c(C)c1 ZINC000082086950 564056222 /nfs/dbraw/zinc/05/62/22/564056222.db2.gz MHSTVSGDTSBZJK-UHFFFAOYSA-N 0 0 349.478 4.328 50 0 EIAARN CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000005910106 564056930 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O=C(Nc1cccc(C(F)(F)F)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012559412 564059432 /nfs/dbraw/zinc/05/94/32/564059432.db2.gz UKFUWFZCCUEZKJ-FOSCPWQOSA-N 0 0 325.330 4.039 50 0 EIAARN COc1ccccc1NC(=O)N(Cc1ccsc1)CC(F)(F)F ZINC000044447767 564060129 /nfs/dbraw/zinc/06/01/29/564060129.db2.gz MWFMSLOPKJEEJZ-UHFFFAOYSA-N 0 0 344.358 4.353 50 0 EIAARN CCOc1ccc2nc(NC(=O)c3cc4c(s3)CCC4)sc2c1 ZINC000012598873 564060329 /nfs/dbraw/zinc/06/03/29/564060329.db2.gz AEHVQGZJGKOOQB-UHFFFAOYSA-N 0 0 344.461 4.498 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3Cl)o2)cs1 ZINC000012619072 564060694 /nfs/dbraw/zinc/06/06/94/564060694.db2.gz CPJDTOLREYIWAU-UHFFFAOYSA-N 0 0 332.812 4.295 50 0 EIAARN Cc1cccc(CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000012623658 564061019 /nfs/dbraw/zinc/06/10/19/564061019.db2.gz KIIXQYBSUPGJCF-ZDUSSCGKSA-N 0 0 328.799 4.006 50 0 EIAARN CSCC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cccc1 ZINC000263587713 564061869 /nfs/dbraw/zinc/06/18/69/564061869.db2.gz KKLHPJJGPLQFFI-CQSZACIVSA-N 0 0 326.824 4.214 50 0 EIAARN Cc1nc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)sc1C ZINC000263588490 564061920 /nfs/dbraw/zinc/06/19/20/564061920.db2.gz UTOHHDAOGJDYQW-AWEZNQCLSA-N 0 0 331.466 4.241 50 0 EIAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc2[nH]cnc2c1 ZINC000263588754 564061953 /nfs/dbraw/zinc/06/19/53/564061953.db2.gz XYHJCFKENZVBNC-QGZVFWFLSA-N 0 0 336.420 4.044 50 0 EIAARN Cc1cc(C)c2c(n1)sc1c2N[C@@H](c2ccc(F)c(F)c2)NC1=O ZINC000012641081 564062018 /nfs/dbraw/zinc/06/20/18/564062018.db2.gz AJYBHKUJJANFNK-OAHLLOKOSA-N 0 0 345.374 4.045 50 0 EIAARN O=C(Nc1cccc(N2CCCCC2=O)c1)c1c(F)cccc1Cl ZINC000005441626 564062453 /nfs/dbraw/zinc/06/24/53/564062453.db2.gz HAFASLXPXMTOFH-UHFFFAOYSA-N 0 0 346.789 4.248 50 0 EIAARN COCc1c2ccccc2oc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005442807 564062481 /nfs/dbraw/zinc/06/24/81/564062481.db2.gz CPZLOPSVENLDSL-GOSISDBHSA-N 0 0 335.403 4.387 50 0 EIAARN O=C(c1cc2ccccc2s1)N1CCC(Nc2nccs2)CC1 ZINC000190439691 564062534 /nfs/dbraw/zinc/06/25/34/564062534.db2.gz TWGYXFJQEXSZEG-UHFFFAOYSA-N 0 0 343.477 4.075 50 0 EIAARN O=C(c1ccccc1F)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 ZINC000001253477 564062719 /nfs/dbraw/zinc/06/27/19/564062719.db2.gz TWBHYTZBZXUXGD-GOSISDBHSA-N 0 0 334.350 4.410 50 0 EIAARN Clc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1 ZINC000001260962 564062784 /nfs/dbraw/zinc/06/27/84/564062784.db2.gz ZRGZOWSDFSPNSR-UHFFFAOYSA-N 0 0 338.758 4.153 50 0 EIAARN Cc1ccc2cc(CN(C(=O)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000001264407 564062799 /nfs/dbraw/zinc/06/27/99/564062799.db2.gz DYOFOKFNVQNGQO-UHFFFAOYSA-N 0 0 340.467 4.154 50 0 EIAARN O=C(c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001326591 564063167 /nfs/dbraw/zinc/06/31/67/564063167.db2.gz KFOYFCATJBKIAZ-UHFFFAOYSA-N 0 0 328.462 4.378 50 0 EIAARN Cc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)n1 ZINC000012692399 564063287 /nfs/dbraw/zinc/06/32/87/564063287.db2.gz CNRONPZXEWZPPO-GOOCMWNKSA-N 0 0 348.537 4.331 50 0 EIAARN CC(C)c1nc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)no1 ZINC000184525029 564063508 /nfs/dbraw/zinc/06/35/08/564063508.db2.gz NCHTYIWJCIHVDQ-LBPRGKRZSA-N 0 0 328.441 4.167 50 0 EIAARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccnc2ncnn21 ZINC000001383633 564064074 /nfs/dbraw/zinc/06/40/74/564064074.db2.gz BYCLAFHVJAMNAZ-CYBMUJFWSA-N 0 0 334.354 4.070 50 0 EIAARN O=c1cc(Cl)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1 ZINC000001383874 564064082 /nfs/dbraw/zinc/06/40/82/564064082.db2.gz VFPSLGWJCWGLOD-UHFFFAOYSA-N 0 0 331.202 4.265 50 0 EIAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000001384072 564064134 /nfs/dbraw/zinc/06/41/34/564064134.db2.gz YVPJGJVYTIMOGI-UHFFFAOYSA-N 0 0 333.313 4.002 50 0 EIAARN NC(=O)[C@@H](c1cccc(Cl)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000001385499 564064183 /nfs/dbraw/zinc/06/41/83/564064183.db2.gz PJHDOOIJJSHQST-NSHDSACASA-N 0 0 349.139 4.024 50 0 EIAARN COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1OC ZINC000001388685 564064318 /nfs/dbraw/zinc/06/43/18/564064318.db2.gz INFOKYJHFGKWRY-UHFFFAOYSA-N 0 0 331.224 4.093 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)c1cccc(-n2cccn2)c1 ZINC000116617763 564064452 /nfs/dbraw/zinc/06/44/52/564064452.db2.gz REEDWQMIRMGMBV-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN Fc1ccccc1-c1nnc2c(C(F)(F)F)nc3ccccc3n12 ZINC000001392369 564064551 /nfs/dbraw/zinc/06/45/51/564064551.db2.gz DGXUTGJVOGUBHW-UHFFFAOYSA-N 0 0 332.260 4.102 50 0 EIAARN Cc1cc(C)cc(OC(F)(F)C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000001393227 564064629 /nfs/dbraw/zinc/06/46/29/564064629.db2.gz XIEBZDFRVZKHLU-UHFFFAOYSA-N 0 0 327.277 4.192 50 0 EIAARN COc1cccc(C(=O)N2c3cc(C)ccc3OC[C@@H]2C(C)(C)C)c1 ZINC000001393791 564064635 /nfs/dbraw/zinc/06/46/35/564064635.db2.gz DRSKAAGCWWQPRO-LJQANCHMSA-N 0 0 339.435 4.458 50 0 EIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@H](C)c1ccccc1 ZINC000012743086 564065519 /nfs/dbraw/zinc/06/55/19/564065519.db2.gz HLLKRFUHBXOSHK-CQSZACIVSA-N 0 0 348.450 4.381 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000084028852 564065876 /nfs/dbraw/zinc/06/58/76/564065876.db2.gz PKODJPPMFIXXLY-FPOVZHCZSA-N 0 0 328.415 4.343 50 0 EIAARN Cc1sc2ncnc(N3CC=C(c4ccc(O)cc4)CC3)c2c1C ZINC000084065508 564066012 /nfs/dbraw/zinc/06/60/12/564066012.db2.gz JLLDBWNKDJYQAK-UHFFFAOYSA-N 0 0 337.448 4.307 50 0 EIAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(-c2ccco2)on1 ZINC000084129134 564066836 /nfs/dbraw/zinc/06/68/36/564066836.db2.gz JEUVHAWPSKGJDZ-AWEZNQCLSA-N 0 0 340.379 4.280 50 0 EIAARN Nc1c(-c2ccc(Cl)cc2)nnn1-c1ccccc1C(F)(F)F ZINC000001430262 564066960 /nfs/dbraw/zinc/06/69/60/564066960.db2.gz JDASBYCJMYFSIP-UHFFFAOYSA-N 0 0 338.720 4.189 50 0 EIAARN Fc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000001432782 564067117 /nfs/dbraw/zinc/06/71/17/564067117.db2.gz PPMZUJUKVKKXEX-UHFFFAOYSA-N 0 0 338.260 4.474 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1[S@@](C)=O)c1ccc2ccccc2c1 ZINC000012752353 564067138 /nfs/dbraw/zinc/06/71/38/564067138.db2.gz IHKDEQYLJHEGPM-SHACYNPGSA-N 0 0 337.444 4.068 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccccc1 ZINC000012758555 564067260 /nfs/dbraw/zinc/06/72/60/564067260.db2.gz GOGIUJPOBDCSHO-UHFFFAOYSA-N 0 0 328.462 4.452 50 0 EIAARN CC(C)Oc1ccc(CCNC(=O)[C@H]2C[C@H]2c2ccccc2F)cc1 ZINC000073924083 564067482 /nfs/dbraw/zinc/06/74/82/564067482.db2.gz WXZZWUPCXLOSMK-OALUTQOASA-N 0 0 341.426 4.075 50 0 EIAARN CC(C)(C)c1cc(N2CCC(c3ncc[nH]3)CC2)nc(C(C)(C)C)n1 ZINC000084241161 564067484 /nfs/dbraw/zinc/06/74/84/564067484.db2.gz AOWDOSCJXAQQPQ-UHFFFAOYSA-N 0 0 341.503 4.179 50 0 EIAARN Cn1nnc2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc21 ZINC000084311209 564067789 /nfs/dbraw/zinc/06/77/89/564067789.db2.gz UOLSXGWPUFYKIS-UHFFFAOYSA-N 0 0 344.374 4.013 50 0 EIAARN O=C(NCCc1ccc(O)cc1)Nc1ccc(Cl)cc1Cl ZINC000084398106 564068055 /nfs/dbraw/zinc/06/80/55/564068055.db2.gz LYNSIEPRQJDKIR-UHFFFAOYSA-N 0 0 325.195 4.063 50 0 EIAARN O=C(NC1CC1)[C@H](Oc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000012766285 564068083 /nfs/dbraw/zinc/06/80/83/564068083.db2.gz XQCFPJXDUQKJPZ-MRXNPFEDSA-N 0 0 337.753 4.017 50 0 EIAARN CC(C)COc1ccc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000012768265 564068330 /nfs/dbraw/zinc/06/83/30/564068330.db2.gz NMLCZZNFEWMGFO-CYBMUJFWSA-N 0 0 346.427 4.320 50 0 EIAARN Cc1cc(CCCC(=O)Nc2nnc(C(F)F)s2)c(C)s1 ZINC000084532895 564068535 /nfs/dbraw/zinc/06/85/35/564068535.db2.gz VALQVXWKSSIAJG-UHFFFAOYSA-N 0 0 331.413 4.115 50 0 EIAARN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000084539068 564068607 /nfs/dbraw/zinc/06/86/07/564068607.db2.gz VRJPRDBFOAOUIU-JOCHJYFZSA-N 0 0 342.442 4.107 50 0 EIAARN O=C(Nc1nc(SCc2ccccc2)ns1)c1ccccc1F ZINC000012771649 564068956 /nfs/dbraw/zinc/06/89/56/564068956.db2.gz CXOKKADTWDWTTM-UHFFFAOYSA-N 0 0 345.424 4.222 50 0 EIAARN O=C(c1cc2c(s1)CCC2)N1CCCCC[C@@H]1c1ccncc1 ZINC000084615086 564069135 /nfs/dbraw/zinc/06/91/35/564069135.db2.gz XFHZZYHEQQIFSJ-MRXNPFEDSA-N 0 0 326.465 4.389 50 0 EIAARN CC(C)c1ccc(C[S@@](=O)Cc2cc(F)cc3c2OCOC3)cc1 ZINC000084625126 564069180 /nfs/dbraw/zinc/06/91/80/564069180.db2.gz HRHXRTIPSZHLPL-DEOSSOPVSA-N 0 0 348.439 4.265 50 0 EIAARN CC(C)c1noc([C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000084631082 564069203 /nfs/dbraw/zinc/06/92/03/564069203.db2.gz GEXXKUVNEVDXMB-CYBMUJFWSA-N 0 0 340.427 4.275 50 0 EIAARN C[C@H](O)c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000084651535 564069368 /nfs/dbraw/zinc/06/93/68/564069368.db2.gz BDIXDKRWWBOYQU-VIFPVBQESA-N 0 0 330.737 4.419 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)o1 ZINC000084688936 564069607 /nfs/dbraw/zinc/06/96/07/564069607.db2.gz UXIYNRSVBHINMZ-DOMZBBRYSA-N 0 0 341.407 4.482 50 0 EIAARN COc1nc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)cc2ccccc21 ZINC000084697879 564069688 /nfs/dbraw/zinc/06/96/88/564069688.db2.gz MUWOQKSQYHCFPK-ZSZQSSIHSA-N 0 0 338.451 4.284 50 0 EIAARN CC[C@](C)(NC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1 ZINC000084721210 564069821 /nfs/dbraw/zinc/06/98/21/564069821.db2.gz HDLZVAIQLNXDQG-FQEVSTJZSA-N 0 0 341.455 4.101 50 0 EIAARN O=C(c1ccccc1F)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000015646808 564069910 /nfs/dbraw/zinc/06/99/10/564069910.db2.gz BQOYEVCRFOUFGW-HNNXBMFYSA-N 0 0 326.396 4.413 50 0 EIAARN CCCNC(=S)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000084756615 564070045 /nfs/dbraw/zinc/07/00/45/564070045.db2.gz DOIDUAAPRGFMDY-WPUWVODUSA-N 0 0 336.504 4.158 50 0 EIAARN CCOC(=O)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000025954812 564070121 /nfs/dbraw/zinc/07/01/21/564070121.db2.gz GUMGHHPROZVSCM-UHFFFAOYSA-N 0 0 341.338 4.236 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 ZINC000012783474 564070192 /nfs/dbraw/zinc/07/01/92/564070192.db2.gz GFAFFJANDKNARX-CHWSQXEVSA-N 0 0 347.459 4.012 50 0 EIAARN Cc1ccc(CNC(=O)c2noc3c2CSc2ccccc2-3)cc1 ZINC000015673979 564070532 /nfs/dbraw/zinc/07/05/32/564070532.db2.gz KZPLVTGQBRKLLF-UHFFFAOYSA-N 0 0 336.416 4.186 50 0 EIAARN O=C(Nc1ccccc1Cl)c1ccc(-n2cnc3cccnc32)cc1 ZINC000015681907 564070778 /nfs/dbraw/zinc/07/07/78/564070778.db2.gz XZOGOJHNDPSUAX-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN CSc1cccc(C)c1NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000184956896 564070841 /nfs/dbraw/zinc/07/08/41/564070841.db2.gz SWTUWFYFINUATO-AWEZNQCLSA-N 0 0 348.493 4.384 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)c(C)n1C1CC1 ZINC000085292805 564072451 /nfs/dbraw/zinc/07/24/51/564072451.db2.gz GAFUUWUPGSBSCS-UHFFFAOYSA-N 0 0 348.406 4.274 50 0 EIAARN COc1ccc(CNC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 ZINC000012805841 564072502 /nfs/dbraw/zinc/07/25/02/564072502.db2.gz NYGXKEBHHPXHHT-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN COCCc1ccc(-c2csc(NC(=O)C[C@@H]3C=CCC3)n2)cc1 ZINC000012808492 564072600 /nfs/dbraw/zinc/07/26/00/564072600.db2.gz MVVFSNVBIMJEEE-OAHLLOKOSA-N 0 0 342.464 4.294 50 0 EIAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cccnc1 ZINC000085471027 564073408 /nfs/dbraw/zinc/07/34/08/564073408.db2.gz XXWPAFVXJMBLBP-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN COc1ccc(OC)c(-c2noc(Nc3ccc(Cl)cc3)n2)c1 ZINC000015770800 564073734 /nfs/dbraw/zinc/07/37/34/564073734.db2.gz YCEXNDTYPJWQIR-UHFFFAOYSA-N 0 0 331.759 4.151 50 0 EIAARN CSc1cccc(NC(=O)Cn2cc(C(C)=O)c3ccccc32)c1 ZINC000085558614 564074015 /nfs/dbraw/zinc/07/40/15/564074015.db2.gz WVQKTASHYKPFEP-UHFFFAOYSA-N 0 0 338.432 4.205 50 0 EIAARN Cc1cc([C@@H](O)CCNC(=O)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000085561621 564074050 /nfs/dbraw/zinc/07/40/50/564074050.db2.gz VSCCGSFCUIENTC-HNNXBMFYSA-N 0 0 342.222 4.057 50 0 EIAARN c1c(CSc2nnc(C3CC3)n2-c2ccccc2)nc2ccccn12 ZINC000006105702 564074138 /nfs/dbraw/zinc/07/41/38/564074138.db2.gz OZYPASFYFHBMPZ-UHFFFAOYSA-N 0 0 347.447 4.085 50 0 EIAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000006116583 564074393 /nfs/dbraw/zinc/07/43/93/564074393.db2.gz AZUYEPLGNXSTQM-CYBMUJFWSA-N 0 0 348.402 4.159 50 0 EIAARN COc1c(F)c(F)c(C(=O)Nc2ccccc2Cl)c(F)c1F ZINC000014258224 564074397 /nfs/dbraw/zinc/07/43/97/564074397.db2.gz XMZOSOMPNBIYNW-UHFFFAOYSA-N 0 0 333.668 4.157 50 0 EIAARN C[C@H](CCc1ccco1)NC(=O)COc1ccc(Cl)cc1Cl ZINC000012911706 564077930 /nfs/dbraw/zinc/07/79/30/564077930.db2.gz YDWLUFZFHJNEMF-LLVKDONJSA-N 0 0 342.222 4.103 50 0 EIAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C)c1 ZINC000000266057 564074981 /nfs/dbraw/zinc/07/49/81/564074981.db2.gz UMXUAAPMQJGOFC-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(C)c(F)c3)ccc2o1 ZINC000012824854 564075028 /nfs/dbraw/zinc/07/50/28/564075028.db2.gz JFYIJVNIPJZYAU-LLVKDONJSA-N 0 0 327.359 4.023 50 0 EIAARN O=C(Nc1ccccc1Cl)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000185928323 564075117 /nfs/dbraw/zinc/07/51/17/564075117.db2.gz KUGQTAFHVAZSDX-SFHVURJKSA-N 0 0 328.799 4.003 50 0 EIAARN Cc1ccccc1[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1 ZINC000012846690 564075254 /nfs/dbraw/zinc/07/52/54/564075254.db2.gz KXAOXFJRPVHXQB-QGZVFWFLSA-N 0 0 337.448 4.096 50 0 EIAARN CC(C)COC(=O)Nc1cccc(NCc2nnc(C(C)(C)C)o2)c1 ZINC000086203617 564075303 /nfs/dbraw/zinc/07/53/03/564075303.db2.gz IEIVFQQRUQBYNI-UHFFFAOYSA-N 0 0 346.431 4.184 50 0 EIAARN COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3cc[nH]c3)s2)cc1 ZINC000086254130 564075448 /nfs/dbraw/zinc/07/54/48/564075448.db2.gz OWPIHGNIDKNMLI-LBPRGKRZSA-N 0 0 327.453 4.306 50 0 EIAARN COc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1 ZINC000015825336 564075611 /nfs/dbraw/zinc/07/56/11/564075611.db2.gz KELUMBAXVYZXKH-UHFFFAOYSA-N 0 0 345.468 4.128 50 0 EIAARN Cc1cccc(NC(=O)CSc2nccn2C2CCCCC2)c1 ZINC000015825286 564075624 /nfs/dbraw/zinc/07/56/24/564075624.db2.gz WAWXHKRCJGJXGP-UHFFFAOYSA-N 0 0 329.469 4.428 50 0 EIAARN CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OC)c2c1 ZINC000015828888 564075730 /nfs/dbraw/zinc/07/57/30/564075730.db2.gz PWIJNSYJSPCXCQ-UHFFFAOYSA-N 0 0 325.339 4.226 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1C ZINC000012861353 564075766 /nfs/dbraw/zinc/07/57/66/564075766.db2.gz MBXYPXVHPIFQLU-HNNXBMFYSA-N 0 0 343.448 4.431 50 0 EIAARN Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000015830432 564075802 /nfs/dbraw/zinc/07/58/02/564075802.db2.gz CQFYAORGLNRLTJ-MRXNPFEDSA-N 0 0 329.856 4.043 50 0 EIAARN CCN(CC)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000012864998 564075829 /nfs/dbraw/zinc/07/58/29/564075829.db2.gz YCOSWABSVNYDCE-UHFFFAOYSA-N 0 0 335.407 4.194 50 0 EIAARN O=C(Nc1ccc(F)cc1F)OCCOc1ccccc1Cl ZINC000002142449 564076047 /nfs/dbraw/zinc/07/60/47/564076047.db2.gz IKQOJZLJOWHZBG-UHFFFAOYSA-N 0 0 327.714 4.246 50 0 EIAARN O=C(Nc1ccccc1Br)N1CCC[C@H]1c1ccco1 ZINC000015837876 564076629 /nfs/dbraw/zinc/07/66/29/564076629.db2.gz MWPLTITVIZJBTC-ZDUSSCGKSA-N 0 0 335.201 4.411 50 0 EIAARN Cn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccccc1 ZINC000006140323 564076721 /nfs/dbraw/zinc/07/67/21/564076721.db2.gz ZLKHPKNZMMXNTB-UHFFFAOYSA-N 0 0 348.431 4.429 50 0 EIAARN O=C(N[C@@H]1CCc2ccccc21)c1csc(-c2ccsc2)n1 ZINC000012885998 564077532 /nfs/dbraw/zinc/07/75/32/564077532.db2.gz YPPWPWSVZIAUSL-CQSZACIVSA-N 0 0 326.446 4.289 50 0 EIAARN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Cl)cc1 ZINC000012893980 564077614 /nfs/dbraw/zinc/07/76/14/564077614.db2.gz SLBVJRQUFQKUHP-JTQLQIEISA-N 0 0 348.855 4.241 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1)c1cccnc1SCC(F)(F)F ZINC000012900426 564077714 /nfs/dbraw/zinc/07/77/14/564077714.db2.gz FNJWYKGLBBYTRH-UHFFFAOYSA-N 0 0 348.296 4.267 50 0 EIAARN O=c1c2cc(OC/C=C/c3ccccc3)ccc2nc2n1CCCCC2 ZINC000012902017 564077742 /nfs/dbraw/zinc/07/77/42/564077742.db2.gz XBCAWCWCVOYGLD-JXMROGBWSA-N 0 0 346.430 4.215 50 0 biogenic EIAARN O=C(CCCc1nc2ccccc2s1)N[C@H]1CCc2ccccc21 ZINC000012906983 564077877 /nfs/dbraw/zinc/07/78/77/564077877.db2.gz HMFZGJFUKJTDCD-INIZCTEOSA-N 0 0 336.460 4.423 50 0 EIAARN Cc1cccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012914858 564078022 /nfs/dbraw/zinc/07/80/22/564078022.db2.gz HZPRRUVLFCORFJ-LJQANCHMSA-N 0 0 329.827 4.295 50 0 EIAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000012916813 564078060 /nfs/dbraw/zinc/07/80/60/564078060.db2.gz WMCHPEIGFDYHOG-SFHVURJKSA-N 0 0 344.842 4.124 50 0 EIAARN CC(C)N(C(=O)CSc1nncc2ccccc21)c1ccccc1 ZINC000012918187 564078099 /nfs/dbraw/zinc/07/80/99/564078099.db2.gz CACARKATYWVGPD-UHFFFAOYSA-N 0 0 337.448 4.164 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012929809 564078680 /nfs/dbraw/zinc/07/86/80/564078680.db2.gz ONVDWICJBFETDT-INIZCTEOSA-N 0 0 345.446 4.160 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H]3C(C)C)cc12 ZINC000063815558 564078733 /nfs/dbraw/zinc/07/87/33/564078733.db2.gz LZRFHGMQPWFNLR-HNNXBMFYSA-N 0 0 333.501 4.323 50 0 EIAARN CCSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000088363282 564079009 /nfs/dbraw/zinc/07/90/09/564079009.db2.gz FKPTXXCOKIZJKH-CQSZACIVSA-N 0 0 330.457 4.281 50 0 EIAARN O=C(Nc1cccc2ncccc21)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000012935601 564079256 /nfs/dbraw/zinc/07/92/56/564079256.db2.gz QUSZBHLJFKAHCL-QGZVFWFLSA-N 0 0 348.402 4.045 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)c3csc4c3CCCC4)cnc21 ZINC000012948580 564079786 /nfs/dbraw/zinc/07/97/86/564079786.db2.gz BQMPOWTYVMOBLX-UHFFFAOYSA-N 0 0 340.452 4.205 50 0 EIAARN CSCc1nnc(S[C@@H](C)Cc2nc3ccccc3s2)o1 ZINC000075105917 564080089 /nfs/dbraw/zinc/08/00/89/564080089.db2.gz JHRMNNSYCHTOPX-VIFPVBQESA-N 0 0 337.495 4.266 50 0 EIAARN Cc1ccc(C)c(OCCCCC(=O)Nc2ccnc3ccncc32)c1 ZINC000075105559 564080107 /nfs/dbraw/zinc/08/01/07/564080107.db2.gz LAHPKKAFFUHYEQ-UHFFFAOYSA-N 0 0 349.434 4.434 50 0 EIAARN C[C@@](O)(CNC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000075155396 564080866 /nfs/dbraw/zinc/08/08/66/564080866.db2.gz BGZRVESDVJYRQL-JOCHJYFZSA-N 0 0 346.430 4.383 50 0 EIAARN C[C@]1(OC(=O)c2ccccc2)CCCC[C@H]1OC(=O)c1ccccc1 ZINC000075245313 564081149 /nfs/dbraw/zinc/08/11/49/564081149.db2.gz RCXVTIDYKZNKOZ-NQIIRXRSSA-N 0 0 338.403 4.402 50 0 EIAARN CC(=O)O[C@H]1c2c3c(cc(C)c2C)OC(=O)[C@]32CC(C)(C)C[C@@]1(C)C2 ZINC000075270474 564081342 /nfs/dbraw/zinc/08/13/42/564081342.db2.gz UVZQAFLAADMICL-YYWHXJBOSA-N 0 0 342.435 4.294 50 0 EIAARN Cc1ccc2ccc3cc(C(=O)N4CCc5ccccc5C4)[nH]c3c2n1 ZINC000075343477 564081957 /nfs/dbraw/zinc/08/19/57/564081957.db2.gz VAENSLDKMGWKSN-UHFFFAOYSA-N 0 0 341.414 4.223 50 0 EIAARN O=S(=O)(/C=C/c1ccccc1)NCc1ccc(-c2ccsc2)o1 ZINC000575611491 564082598 /nfs/dbraw/zinc/08/25/98/564082598.db2.gz VPIKFQJJALGFTE-PKNBQFBNSA-N 0 0 345.445 4.098 50 0 EIAARN O=C1CC2(CCCCC2)C(=O)N1Cc1csc(C2CCCC2)n1 ZINC000063886985 564083008 /nfs/dbraw/zinc/08/30/08/564083008.db2.gz NOVVBDZJFJJGBI-UHFFFAOYSA-N 0 0 332.469 4.010 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000006235819 564083159 /nfs/dbraw/zinc/08/31/59/564083159.db2.gz KIRWGNNJQDDGLZ-UHFFFAOYSA-N 0 0 337.297 4.053 50 0 EIAARN CCOc1ccccc1NC(=O)CNc1ccc(C(F)(F)F)cc1 ZINC000006249814 564083229 /nfs/dbraw/zinc/08/32/29/564083229.db2.gz WGRZRANELKGBAY-UHFFFAOYSA-N 0 0 338.329 4.155 50 0 EIAARN CCSc1ccccc1C(=O)NCc1cncc(-c2ccoc2)c1 ZINC000575621366 564083965 /nfs/dbraw/zinc/08/39/65/564083965.db2.gz WBGIJOCZHDTBGA-UHFFFAOYSA-N 0 0 338.432 4.384 50 0 EIAARN CCc1ccc([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN23)cc1 ZINC000075403041 564084012 /nfs/dbraw/zinc/08/40/12/564084012.db2.gz LPGVHBRHFWIBCP-RBUKOAKNSA-N 0 0 340.854 4.412 50 0 EIAARN Cc1sc(-c2ccno2)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000075436376 564084694 /nfs/dbraw/zinc/08/46/94/564084694.db2.gz UQFSPYNCGOKHPD-UHFFFAOYSA-N 0 0 348.449 4.129 50 0 EIAARN O=C1[C@@H](SC2CCOCC2)CCN1c1ccc(Cl)cc1Cl ZINC000191210796 564084861 /nfs/dbraw/zinc/08/48/61/564084861.db2.gz OJRVNRFIEDUGCT-AWEZNQCLSA-N 0 0 346.279 4.011 50 0 EIAARN CSc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1 ZINC000075437330 564084731 /nfs/dbraw/zinc/08/47/31/564084731.db2.gz JTVBOQFJGABSEK-UHFFFAOYSA-N 0 0 335.432 4.426 50 0 EIAARN CNC(=S)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000006335516 564085198 /nfs/dbraw/zinc/08/51/98/564085198.db2.gz SDHZVHWYYRONSE-CQSZACIVSA-N 0 0 343.883 4.047 50 0 EIAARN Cc1ccccc1CSCC1N=NC(=S)N1c1ccccc1 ZINC000006401719 564085590 /nfs/dbraw/zinc/08/55/90/564085590.db2.gz MPRRSMLPNPKPEZ-UHFFFAOYSA-N 0 0 327.478 4.298 50 0 EIAARN CC(=O)c1cccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000012982539 564085710 /nfs/dbraw/zinc/08/57/10/564085710.db2.gz HIACLDBXHQFSQP-OAHLLOKOSA-N 0 0 347.414 4.299 50 0 EIAARN CCn1c(SCc2cccc(C(C)C)n2)nnc1-c1ccccn1 ZINC000123262268 564085888 /nfs/dbraw/zinc/08/58/88/564085888.db2.gz CHVVJPDPDRJGKF-UHFFFAOYSA-N 0 0 339.468 4.171 50 0 EIAARN Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2)cc1 ZINC000071816082 564086111 /nfs/dbraw/zinc/08/61/11/564086111.db2.gz KPGTYAZQQNMLEN-GOSISDBHSA-N 0 0 340.423 4.200 50 0 EIAARN Cc1cc(C)c(C(=O)Nc2ccccc2F)c2c1C(=O)C(C)(C)C2 ZINC000075252914 564086229 /nfs/dbraw/zinc/08/62/29/564086229.db2.gz CATGXWBFZYBFFE-UHFFFAOYSA-N 0 0 325.383 4.460 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ncc(C)s3)ccc2c1 ZINC000013007464 564086443 /nfs/dbraw/zinc/08/64/43/564086443.db2.gz QTRNDHJZJFSWOW-GFCCVEGCSA-N 0 0 326.421 4.356 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 ZINC000013011165 564086531 /nfs/dbraw/zinc/08/65/31/564086531.db2.gz BNBSYIZJIAMVMI-OKILXGFUSA-N 0 0 346.858 4.432 50 0 EIAARN Cc1csc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000013017512 564086832 /nfs/dbraw/zinc/08/68/32/564086832.db2.gz DHSAJVPXTGRWIE-UHFFFAOYSA-N 0 0 340.379 4.074 50 0 EIAARN O=C(Cc1ccccc1Cl)NCc1ccnc(-c2cccs2)c1 ZINC000225650360 564087292 /nfs/dbraw/zinc/08/72/92/564087292.db2.gz CZEOTUHSNJFMOV-UHFFFAOYSA-N 0 0 342.851 4.322 50 0 EIAARN Cc1ccc(-c2nocc2CCC(=O)NCC2CCCCC2)cc1 ZINC000075510203 564087336 /nfs/dbraw/zinc/08/73/36/564087336.db2.gz GAOWHTCDFIOAEO-UHFFFAOYSA-N 0 0 326.440 4.279 50 0 EIAARN Cc1cccc(CNC(=O)CCc2conc2-c2cccc(C)c2)c1 ZINC000075510220 564087350 /nfs/dbraw/zinc/08/73/50/564087350.db2.gz HTUNSJSBMWMMHB-UHFFFAOYSA-N 0 0 334.419 4.207 50 0 EIAARN Cc1ccc(CNC(=O)CCc2conc2-c2cccc(C)c2)cc1 ZINC000075510332 564087356 /nfs/dbraw/zinc/08/73/56/564087356.db2.gz MWVCFCMRRASWDF-UHFFFAOYSA-N 0 0 334.419 4.207 50 0 EIAARN CN(C)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000001773696 564087477 /nfs/dbraw/zinc/08/74/77/564087477.db2.gz WGOUWWXKAPEGFC-UHFFFAOYSA-N 0 0 332.831 4.204 50 0 EIAARN Cc1cn(C(=O)c2sc3cccc(OC(F)F)c3c2Cl)cn1 ZINC000006447351 564087583 /nfs/dbraw/zinc/08/75/83/564087583.db2.gz LSMKEZUKNOWDCB-UHFFFAOYSA-N 0 0 342.754 4.350 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)no1 ZINC000064330383 564087740 /nfs/dbraw/zinc/08/77/40/564087740.db2.gz BOIQTCKMEGWMFB-UHFFFAOYSA-N 0 0 347.296 4.316 50 0 EIAARN Cc1noc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 ZINC000239287471 564088040 /nfs/dbraw/zinc/08/80/40/564088040.db2.gz CWEKHXSSQMBRHH-OWVDYMSYSA-N 0 0 327.468 4.320 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=O)c2c(Cl)nccc2C(F)(F)F)[C@H]1C ZINC000239667205 564088225 /nfs/dbraw/zinc/08/82/25/564088225.db2.gz BPKIMIYFOLDNPK-YWVKMMECSA-N 0 0 334.769 4.308 50 0 EIAARN Cc1cccc([C@H](C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000241720764 564088389 /nfs/dbraw/zinc/08/83/89/564088389.db2.gz QRZQNBYBRDEBLP-KYNGSXCRSA-N 0 0 343.854 4.398 50 0 EIAARN Cc1[nH]nc(NC(=O)Cc2ccccc2Cl)c1-c1ccccc1 ZINC000075544585 564088616 /nfs/dbraw/zinc/08/86/16/564088616.db2.gz MMYMSWBIKHDGEN-UHFFFAOYSA-N 0 0 325.799 4.220 50 0 EIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nocc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245235799 564088625 /nfs/dbraw/zinc/08/86/25/564088625.db2.gz NSYTUNFHWYMMHU-XJKGWNRQSA-N 0 0 329.484 4.383 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3cccnc3)s2)cc1 ZINC000001870074 564088981 /nfs/dbraw/zinc/08/89/81/564088981.db2.gz AAUJKEJDGLOUPU-UHFFFAOYSA-N 0 0 338.436 4.150 50 0 EIAARN O=C(CCc1ccc2cc[nH]c2c1)NCc1ccc(F)c(Cl)c1 ZINC000075550835 564089325 /nfs/dbraw/zinc/08/93/25/564089325.db2.gz UJZWEUOCVMMTMY-UHFFFAOYSA-N 0 0 330.790 4.209 50 0 EIAARN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1 ZINC000001909433 564089410 /nfs/dbraw/zinc/08/94/10/564089410.db2.gz JQZUYMLJRIPBJL-UHFFFAOYSA-N 0 0 341.407 4.295 50 0 biogenic EIAARN O=c1scc(-c2cccc(F)c2)n1Cc1cccc2cccnc21 ZINC000075611318 564089882 /nfs/dbraw/zinc/08/98/82/564089882.db2.gz DDIYTNLNMHDWFM-UHFFFAOYSA-N 0 0 336.391 4.312 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000001934464 564090295 /nfs/dbraw/zinc/09/02/95/564090295.db2.gz QFVHVEZKQMTGNT-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN(c2cccc(Cl)c2C)CO1 ZINC000000140963 564090462 /nfs/dbraw/zinc/09/04/62/564090462.db2.gz WESXTQQCVXIQMX-UHFFFAOYSA-N 0 0 341.794 4.420 50 0 biogenic EIAARN COc1ccc(NC(=O)c2ccc(F)c3ccccc23)c(OC)c1 ZINC000000446289 564090527 /nfs/dbraw/zinc/09/05/27/564090527.db2.gz KAQDMUZMKWBHGS-UHFFFAOYSA-N 0 0 325.339 4.248 50 0 EIAARN CCCCOc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1C ZINC000002092372 564090582 /nfs/dbraw/zinc/09/05/82/564090582.db2.gz VIELZMRGCLYTSA-UHFFFAOYSA-N 0 0 346.423 4.084 50 0 biogenic EIAARN CCCCSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000006492999 564090817 /nfs/dbraw/zinc/09/08/17/564090817.db2.gz UHLHEXXZSRBRRS-UHFFFAOYSA-N 0 0 334.832 4.067 50 0 EIAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)NCCC1=CCCCC1 ZINC000006506703 564091143 /nfs/dbraw/zinc/09/11/43/564091143.db2.gz CNWAEHYWWOELJP-UHFFFAOYSA-N 0 0 349.887 4.315 50 0 EIAARN Cc1cc2nc(NCc3ccccc3)c(C(=O)OC(C)C)nc2cc1C ZINC000064438585 564091331 /nfs/dbraw/zinc/09/13/31/564091331.db2.gz BQOYVPWQCUZGES-UHFFFAOYSA-N 0 0 349.434 4.424 50 0 EIAARN COc1ccc(CCC(=O)Oc2ccc3ccc(OC)cc3c2)cc1 ZINC000006548416 564091861 /nfs/dbraw/zinc/09/18/61/564091861.db2.gz DDYCAZOGMQKAFA-UHFFFAOYSA-N 0 0 336.387 4.395 50 0 EIAARN CCCOc1ccc(OC(=O)c2ccc(Br)o2)cc1 ZINC000002027801 564092524 /nfs/dbraw/zinc/09/25/24/564092524.db2.gz FMVFYKWYJMHNMM-UHFFFAOYSA-N 0 0 325.158 4.050 50 0 EIAARN O=C(CNc1ccc(F)cc1Cl)Nc1ccccc1OC(F)F ZINC000007972568 564092648 /nfs/dbraw/zinc/09/26/48/564092648.db2.gz URBQDJNTCPUKAC-UHFFFAOYSA-N 0 0 344.720 4.131 50 0 EIAARN CCN(CCOC)C(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000426420313 564093664 /nfs/dbraw/zinc/09/36/64/564093664.db2.gz YUTAPHKVHGOCIS-UHFFFAOYSA-N 0 0 347.842 4.124 50 0 EIAARN CCOCC1(CNC(=O)c2ccc(-c3cc(F)cc(F)c3)cc2)CC1 ZINC000426412864 564093670 /nfs/dbraw/zinc/09/36/70/564093670.db2.gz ZKYZGYMBTKNODO-UHFFFAOYSA-N 0 0 345.389 4.178 50 0 EIAARN COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccncc2)cc1 ZINC000426443119 564093788 /nfs/dbraw/zinc/09/37/88/564093788.db2.gz YESPIFHWGZULIA-FQEVSTJZSA-N 0 0 338.451 4.170 50 0 EIAARN CC[C@H]1C=CCN1C(=O)c1ccc(-c2cc(F)c(OC)c(F)c2)cc1 ZINC000426497186 564093890 /nfs/dbraw/zinc/09/38/90/564093890.db2.gz ITGROOPOARYXLD-INIZCTEOSA-N 0 0 343.373 4.431 50 0 EIAARN O=C(c1cc(Cl)c[nH]1)N(C/C=C/c1ccccc1)C[C@@H]1CCCO1 ZINC000426580636 564094147 /nfs/dbraw/zinc/09/41/47/564094147.db2.gz DPAOCAKFXOXIQZ-AUNFYEFLSA-N 0 0 344.842 4.003 50 0 EIAARN Cc1cccc(C2(NC(=O)Nc3cc4nc[nH]c4c(C)c3C)CC2)c1 ZINC000426690553 564094366 /nfs/dbraw/zinc/09/43/66/564094366.db2.gz IHJWZLMRDGORPM-UHFFFAOYSA-N 0 0 334.423 4.299 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc2c(c1)CCC2 ZINC000006628324 564094716 /nfs/dbraw/zinc/09/47/16/564094716.db2.gz UPWSDRZOBAOYLP-UHFFFAOYSA-N 0 0 345.826 4.163 50 0 EIAARN Cc1cc(C)c(C(=O)COC(=O)c2ccc(Cl)cc2O)cc1C ZINC000006640482 564094867 /nfs/dbraw/zinc/09/48/67/564094867.db2.gz GTTDOHAGWIEWFX-UHFFFAOYSA-N 0 0 332.783 4.011 50 0 EIAARN Cc1ccccc1-c1cn2ccn(-c3cccc(Cl)c3C)c(=O)c2n1 ZINC000064675462 564095131 /nfs/dbraw/zinc/09/51/31/564095131.db2.gz KOIKCDJGDLRIPI-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN Cc1ccc(-c2nc(C(=O)N3CCc4ccccc43)cs2)s1 ZINC000064676455 564095148 /nfs/dbraw/zinc/09/51/48/564095148.db2.gz CDVQZPCKJPNKSZ-UHFFFAOYSA-N 0 0 326.446 4.383 50 0 EIAARN COc1ccccc1CNC(=O)c1csc(-c2ccc(C)s2)n1 ZINC000064676489 564095206 /nfs/dbraw/zinc/09/52/06/564095206.db2.gz LFSQRPCFOYXARI-UHFFFAOYSA-N 0 0 344.461 4.119 50 0 EIAARN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000006664297 564095682 /nfs/dbraw/zinc/09/56/82/564095682.db2.gz QONSCSYUSPZUNT-NSHDSACASA-N 0 0 347.340 4.002 50 0 EIAARN Cc1[nH]c2ccc(C(=O)Nc3ccc(Br)cn3)cc2c1C ZINC000006672073 564095749 /nfs/dbraw/zinc/09/57/49/564095749.db2.gz PHWBUFBVYNHLAV-UHFFFAOYSA-N 0 0 344.212 4.195 50 0 EIAARN Cc1ccc(C)c(Cn2ccnc2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000006690504 564095866 /nfs/dbraw/zinc/09/58/66/564095866.db2.gz PTLPTUKZKWIIDJ-UHFFFAOYSA-N 0 0 341.499 4.189 50 0 EIAARN CC(C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(F)c1 ZINC000006724749 564096458 /nfs/dbraw/zinc/09/64/58/564096458.db2.gz HNAIQYFHIMPKTI-GOSISDBHSA-N 0 0 338.426 4.364 50 0 EIAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000064837701 564096778 /nfs/dbraw/zinc/09/67/78/564096778.db2.gz SLRZHVCXNISORQ-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN O=C(c1ccccc1F)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000006747540 564096943 /nfs/dbraw/zinc/09/69/43/564096943.db2.gz WMJKXQSBGOQONZ-UHFFFAOYSA-N 0 0 327.330 4.400 50 0 EIAARN CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1c(C)cccc1C ZINC000006752380 564097165 /nfs/dbraw/zinc/09/71/65/564097165.db2.gz SRXSJMWYDAPSCD-OAHLLOKOSA-N 0 0 340.452 4.084 50 0 EIAARN CCCCN(C)c1nnc(NC(=O)Nc2cccc(C)c2C)s1 ZINC000006768300 564097397 /nfs/dbraw/zinc/09/73/97/564097397.db2.gz CYKABVBPDWXZRR-UHFFFAOYSA-N 0 0 333.461 4.035 50 0 EIAARN CCc1nnc2c(NCc3ccccc3Cl)nc3ccccc3n12 ZINC000006792000 564097976 /nfs/dbraw/zinc/09/79/76/564097976.db2.gz PNAJSEIFZHEQIJ-UHFFFAOYSA-N 0 0 337.814 4.105 50 0 EIAARN CN(c1nnc(NC(=O)Nc2ccccc2F)s1)C1CCCCC1 ZINC000006792513 564097977 /nfs/dbraw/zinc/09/79/77/564097977.db2.gz UGNSHIXYZLJCQV-UHFFFAOYSA-N 0 0 349.435 4.090 50 0 EIAARN Cc1c2c(n(Cc3cccc(F)c3)c1C(=O)NCC(C)C)CCCC2 ZINC000006801401 564098234 /nfs/dbraw/zinc/09/82/34/564098234.db2.gz VJHOSVXVKMNOSF-UHFFFAOYSA-N 0 0 342.458 4.249 50 0 EIAARN CCCNC(=O)c1c(C)c2c(n1Cc1c(F)cccc1F)CCCC2 ZINC000006801089 564098244 /nfs/dbraw/zinc/09/82/44/564098244.db2.gz CHDBBOQHPKGUKC-UHFFFAOYSA-N 0 0 346.421 4.142 50 0 EIAARN O=C([O-])c1c(C[NH2+]C2CCCC2)c2ccccc2n1Cc1ccccc1 ZINC000006803451 564098304 /nfs/dbraw/zinc/09/83/04/564098304.db2.gz DRKJWKLMDMWBAX-UHFFFAOYSA-N 0 0 348.446 4.420 50 0 EIAARN CCCSc1ncc(Cl)c(C(=O)Oc2cc(C)cc(C)c2)n1 ZINC000006810526 564098489 /nfs/dbraw/zinc/09/84/89/564098489.db2.gz CGMDAJVEGMGYGA-UHFFFAOYSA-N 0 0 336.844 4.468 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1 ZINC000006811373 564098625 /nfs/dbraw/zinc/09/86/25/564098625.db2.gz NRRITZIBNXHYQH-UHFFFAOYSA-N 0 0 337.375 4.061 50 0 EIAARN Cc1cc(C)cc(-n2ncc3c4nnc(C5CCCCC5)n4cnc32)c1 ZINC000006814436 564098632 /nfs/dbraw/zinc/09/86/32/564098632.db2.gz RZPJFOYJSDJYPL-UHFFFAOYSA-N 0 0 346.438 4.128 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1cc(Cl)ccc1C ZINC000006816175 564098673 /nfs/dbraw/zinc/09/86/73/564098673.db2.gz JNIWTAMWSAPEQI-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CCCCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2ccc(C)nc21 ZINC000006817239 564098698 /nfs/dbraw/zinc/09/86/98/564098698.db2.gz BIDYNRRQBIXUFM-UHFFFAOYSA-N 0 0 348.446 4.435 50 0 EIAARN Fc1ccc(-c2cc(C(F)(F)C(F)(F)F)n3nccc3n2)cc1 ZINC000006829144 564098952 /nfs/dbraw/zinc/09/89/52/564098952.db2.gz LHKOYVSHTMYSNS-UHFFFAOYSA-N 0 0 331.219 4.190 50 0 EIAARN S=C1N=NC(CCc2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000006829483 564098985 /nfs/dbraw/zinc/09/89/85/564098985.db2.gz PAKBXIXBSVVOFN-UHFFFAOYSA-N 0 0 329.856 4.054 50 0 EIAARN O=C(c1cnc(C(F)(F)F)nc1)N(c1ccccc1)C1CCCC1 ZINC000156159867 564099051 /nfs/dbraw/zinc/09/90/51/564099051.db2.gz SRCILVILWUSYLS-UHFFFAOYSA-N 0 0 335.329 4.085 50 0 EIAARN CN1c2ccccc2C(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000006831065 564099172 /nfs/dbraw/zinc/09/91/72/564099172.db2.gz ZYALFXPLVMIWJN-NRFANRHFSA-N 0 0 344.414 4.144 50 0 EIAARN CCCN(C(=O)Cc1noc2ccc(C)cc21)c1ccc(F)cc1 ZINC000006839343 564099328 /nfs/dbraw/zinc/09/93/28/564099328.db2.gz FEXFLTLYDZCFFJ-UHFFFAOYSA-N 0 0 326.371 4.261 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccco2)o1)c1nnc(-c2cccs2)o1 ZINC000006843372 564099514 /nfs/dbraw/zinc/09/95/14/564099514.db2.gz BMGTZVKBBPXKKC-MRVPVSSYSA-N 0 0 346.393 4.294 50 0 EIAARN O=C(CSc1ccc(-c2cccs2)nn1)c1ccc(F)cc1 ZINC000006859091 564099743 /nfs/dbraw/zinc/09/97/43/564099743.db2.gz GEIBQLDOPVRGPF-UHFFFAOYSA-N 0 0 330.409 4.319 50 0 EIAARN Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000006859716 564099769 /nfs/dbraw/zinc/09/97/69/564099769.db2.gz MLONRGHLEMUCDX-LBPRGKRZSA-N 0 0 343.370 4.053 50 0 EIAARN COC(=O)c1cc(Nc2cc(C)cc(C)c2)c2cccc(OC)c2n1 ZINC000065033649 564099916 /nfs/dbraw/zinc/09/99/16/564099916.db2.gz QTIPEIROUWIJSB-UHFFFAOYSA-N 0 0 336.391 4.390 50 0 EIAARN CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(C)=O)cc21 ZINC000065033883 564099958 /nfs/dbraw/zinc/09/99/58/564099958.db2.gz OMPLXJAFXKIRBW-UHFFFAOYSA-N 0 0 336.391 4.268 50 0 EIAARN O=C(NC1CCCC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065062991 564100532 /nfs/dbraw/zinc/10/05/32/564100532.db2.gz XEYSUHNRNVORSH-UHFFFAOYSA-N 0 0 339.420 4.138 50 0 EIAARN Cc1cccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)c1 ZINC000065084851 564100787 /nfs/dbraw/zinc/10/07/87/564100787.db2.gz GKJHVDRCCGSZEP-UHFFFAOYSA-N 0 0 346.430 4.283 50 0 EIAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1 ZINC000065114075 564101326 /nfs/dbraw/zinc/10/13/26/564101326.db2.gz SDZFILZXXLNVEK-UHFFFAOYSA-N 0 0 345.761 4.261 50 0 EIAARN Cc1ccccc1CSc1nccn(-c2cccc(Cl)c2)c1=O ZINC000006915314 564101439 /nfs/dbraw/zinc/10/14/39/564101439.db2.gz AQAPXKFMPULUID-UHFFFAOYSA-N 0 0 342.851 4.487 50 0 EIAARN Cc1cccc(CSc2nccn(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000006915455 564101448 /nfs/dbraw/zinc/10/14/48/564101448.db2.gz AOAQQZNZHJKYKT-UHFFFAOYSA-N 0 0 336.460 4.450 50 0 EIAARN CCn1cc2c3c1cccc3CN(C(=O)C1(c3ccccc3)CC1)CC2 ZINC000065148608 564101616 /nfs/dbraw/zinc/10/16/16/564101616.db2.gz PSRSQZPXPXIGHM-UHFFFAOYSA-N 0 0 344.458 4.278 50 0 EIAARN CCOc1ccc(NC(=O)N2CCc3cn(C)c4cccc(c34)C2)cc1 ZINC000065148856 564101667 /nfs/dbraw/zinc/10/16/67/564101667.db2.gz CHJTWFLJNUDXBY-UHFFFAOYSA-N 0 0 349.434 4.167 50 0 EIAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccncc1 ZINC000006934999 564101719 /nfs/dbraw/zinc/10/17/19/564101719.db2.gz BWCWYBLPGSKELZ-QGZVFWFLSA-N 0 0 347.443 4.186 50 0 EIAARN Cc1ccc(CNC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000006940869 564101942 /nfs/dbraw/zinc/10/19/42/564101942.db2.gz BOWSFEIQJUQUCY-UHFFFAOYSA-N 0 0 345.446 4.475 50 0 EIAARN O=C(CCc1ccccc1)NCc1cccnc1-c1ccc(F)cc1 ZINC000065171342 564102268 /nfs/dbraw/zinc/10/22/68/564102268.db2.gz FZUNOWRKXPZGOO-UHFFFAOYSA-N 0 0 334.394 4.137 50 0 EIAARN CCCn1c(-c2cccc(C(=O)NC3CCCC3)c2)nc2cccnc21 ZINC000065172804 564102287 /nfs/dbraw/zinc/10/22/87/564102287.db2.gz GVECDCMHJQPHLK-UHFFFAOYSA-N 0 0 348.450 4.181 50 0 EIAARN Cc1ccc(-c2nnc(Cc3nc(-c4ccccc4C)no3)o2)cc1C ZINC000065185471 564102515 /nfs/dbraw/zinc/10/25/15/564102515.db2.gz BCBYNQOTNGBOHL-UHFFFAOYSA-N 0 0 346.390 4.303 50 0 EIAARN O=C(NC1CC1)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1 ZINC000065178258 564102550 /nfs/dbraw/zinc/10/25/50/564102550.db2.gz SVRDHSJELTVLSZ-UHFFFAOYSA-N 0 0 335.451 4.021 50 0 EIAARN Cc1ccc(C)c(C(=O)NC[C@]2(c3ccccc3)CCCOCC2)c1 ZINC000065226097 564103072 /nfs/dbraw/zinc/10/30/72/564103072.db2.gz HNIARSHXGIJLSM-QFIPXVFZSA-N 0 0 337.463 4.172 50 0 EIAARN CC(=O)Nc1nc(Br)sc1Cc1cccc(Cl)c1 ZINC000036636093 564104035 /nfs/dbraw/zinc/10/40/35/564104035.db2.gz HJVLJIWAPKMKLJ-UHFFFAOYSA-N 0 0 345.649 4.108 50 0 EIAARN Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccnn3C(C)C)C2)cc1 ZINC000065276913 564104043 /nfs/dbraw/zinc/10/40/43/564104043.db2.gz WSRRXGPKQJSVCK-SFHVURJKSA-N 0 0 340.471 4.259 50 0 EIAARN O=C(Nc1cccn2nc(C3CCC3)nc12)c1ccc(F)c(Cl)c1 ZINC000065283747 564104260 /nfs/dbraw/zinc/10/42/60/564104260.db2.gz XYMVFKCSJBHKNM-UHFFFAOYSA-N 0 0 344.777 4.042 50 0 EIAARN CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000007071751 564104482 /nfs/dbraw/zinc/10/44/82/564104482.db2.gz WAFYECBJWGPXPB-UHFFFAOYSA-N 0 0 341.436 4.240 50 0 EIAARN O=C1CCCN1c1ccc(OCc2cc(-c3ccccc3)on2)cc1 ZINC000007063428 564104549 /nfs/dbraw/zinc/10/45/49/564104549.db2.gz VWGPVVMORFFJNV-UHFFFAOYSA-N 0 0 334.375 4.047 50 0 EIAARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccccc1Cl ZINC000007092997 564104865 /nfs/dbraw/zinc/10/48/65/564104865.db2.gz WIHCKDKPRAIKGV-LLVKDONJSA-N 0 0 345.855 4.346 50 0 EIAARN CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccccn1 ZINC000065307119 564104916 /nfs/dbraw/zinc/10/49/16/564104916.db2.gz UNGCMLUBNBXHFW-UHFFFAOYSA-N 0 0 339.826 4.153 50 0 EIAARN C[C@@H](OC(=O)CC1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000007108288 564104941 /nfs/dbraw/zinc/10/49/41/564104941.db2.gz UFGDVBFDWODVND-SNVBAGLBSA-N 0 0 344.238 4.444 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)cc1F ZINC000007116774 564105088 /nfs/dbraw/zinc/10/50/88/564105088.db2.gz KNSIPQFBMABNRI-UHFFFAOYSA-N 0 0 334.803 4.361 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)c3n[nH]c4ccccc43)cc2)cs1 ZINC000007117905 564105114 /nfs/dbraw/zinc/10/51/14/564105114.db2.gz KKCABZLPEKBAJM-UHFFFAOYSA-N 0 0 334.404 4.247 50 0 EIAARN Cc1nc(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000170085641 564105395 /nfs/dbraw/zinc/10/53/95/564105395.db2.gz ZJFWYQUUFHJRQS-ORAYPTAESA-N 0 0 348.874 4.286 50 0 EIAARN Cc1ccc2[nH]c(C[NH2+][C@@H](CC(=O)[O-])c3ccsc3)cc2c1C ZINC000170090928 564105421 /nfs/dbraw/zinc/10/54/21/564105421.db2.gz GTJYLQIWSUBQHD-KRWDZBQOSA-N 0 0 328.437 4.152 50 0 EIAARN Cc1nnc(S[C@@H](C)C(=O)Nc2cccc3ccccc32)s1 ZINC000007192901 564105655 /nfs/dbraw/zinc/10/56/55/564105655.db2.gz CYQDUAYJLFAAIP-JTQLQIEISA-N 0 0 329.450 4.119 50 0 EIAARN CCOC(=O)Nc1cccc(NC(=O)N(CC)[C@@H](C)C(C)C)c1C ZINC000065415913 564105790 /nfs/dbraw/zinc/10/57/90/564105790.db2.gz BAGRQJIHNXNLML-AWEZNQCLSA-N 0 0 335.448 4.462 50 0 EIAARN CC(C)n1c(=O)c2ccccc2nc1SCc1cccc(F)c1 ZINC000007236791 564105981 /nfs/dbraw/zinc/10/59/81/564105981.db2.gz YAWWKFNHQFNLNU-UHFFFAOYSA-N 0 0 328.412 4.409 50 0 EIAARN 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O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccccc1F ZINC000007580552 564115787 /nfs/dbraw/zinc/11/57/87/564115787.db2.gz GVIVHHDZJUBQFG-UHFFFAOYSA-N 0 0 344.411 4.121 50 0 EIAARN CCCc1nc(CN(Cc2ccnc(OC(C)C)c2)C2CC2)cs1 ZINC000089960477 564115881 /nfs/dbraw/zinc/11/58/81/564115881.db2.gz RJRQHVPORPLICF-UHFFFAOYSA-N 0 0 345.512 4.442 50 0 EIAARN CCN(Cc1cccc(F)c1)C(=O)NCCc1ccc(Cl)cc1 ZINC000017112569 564116469 /nfs/dbraw/zinc/11/64/69/564116469.db2.gz NUSUERFMHJRZTQ-UHFFFAOYSA-N 0 0 334.822 4.253 50 0 EIAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 ZINC000000150779 564116645 /nfs/dbraw/zinc/11/66/45/564116645.db2.gz VMHWBFIKVYLAAB-QGZVFWFLSA-N 0 0 331.415 4.437 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1[C@@H](C)CCC2 ZINC000000151133 564116648 /nfs/dbraw/zinc/11/66/48/564116648.db2.gz YGHLPASPMBXVGU-JTQLQIEISA-N 0 0 333.409 4.210 50 0 EIAARN OCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000000475084 564116738 /nfs/dbraw/zinc/11/67/38/564116738.db2.gz FOPJYZHOZCSTTK-UHFFFAOYSA-N 0 0 327.605 4.174 50 0 EIAARN Cc1nc(C(F)(F)F)ccc1C(=O)NCCc1cc2ccccc2o1 ZINC000170635395 564116790 /nfs/dbraw/zinc/11/67/90/564116790.db2.gz FRJXWWDOWMPZMZ-UHFFFAOYSA-N 0 0 348.324 4.128 50 0 EIAARN O=Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002876934 564117098 /nfs/dbraw/zinc/11/70/98/564117098.db2.gz UNMAKUNLPXUYKZ-UHFFFAOYSA-N 0 0 347.370 4.309 50 0 EIAARN CCCC[C@@H]1C[C@H](COC(=O)c2ccc(OCC(C)C)cc2)OC1=O ZINC000002102246 564117625 /nfs/dbraw/zinc/11/76/25/564117625.db2.gz OROXZXPYZYSMQA-SJLPKXTDSA-N 0 0 348.439 4.000 50 0 biogenic EIAARN COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OC ZINC000002127286 564118549 /nfs/dbraw/zinc/11/85/49/564118549.db2.gz FEVPDXFNJVJJEL-CQSZACIVSA-N 0 0 339.435 4.074 50 0 EIAARN COc1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000170643153 564119039 /nfs/dbraw/zinc/11/90/39/564119039.db2.gz WYWQVJVKNKVWNV-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN Cc1csc([C@@H](C)NC(=O)Nc2cccc3c2OC(C)(C)C3)n1 ZINC000252484325 564119264 /nfs/dbraw/zinc/11/92/64/564119264.db2.gz FUIXHZDCTQJHMX-LLVKDONJSA-N 0 0 331.441 4.048 50 0 EIAARN O=C(Cc1ccc(Cl)s1)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000193499299 564119562 /nfs/dbraw/zinc/11/95/62/564119562.db2.gz QFFQWRMLZQDMNT-RDTXWAMCSA-N 0 0 349.883 4.228 50 0 EIAARN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@H]1C1CCCC1 ZINC000252515310 564120253 /nfs/dbraw/zinc/12/02/53/564120253.db2.gz IHNAWVBPGOALLC-FGTMMUONSA-N 0 0 336.520 4.192 50 0 EIAARN CCc1nc(-c2ccccc2NC(=O)c2ccccc2SC)n[nH]1 ZINC000194371803 564120504 /nfs/dbraw/zinc/12/05/04/564120504.db2.gz YDBZPEDPFJAFFD-UHFFFAOYSA-N 0 0 338.436 4.008 50 0 EIAARN Cc1noc(-c2ccsc2NC(=O)CCc2cccc(Cl)c2)n1 ZINC000225659936 564120684 /nfs/dbraw/zinc/12/06/84/564120684.db2.gz MAMSPTIZWREPPD-UHFFFAOYSA-N 0 0 347.827 4.331 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000252585767 564120822 /nfs/dbraw/zinc/12/08/22/564120822.db2.gz KXLYYJSGANPOQI-SWHNLWLKSA-N 0 0 336.520 4.094 50 0 EIAARN O=C(/C=C/c1cc(Br)ccc1F)NC1CCCCC1 ZINC000007608987 564120881 /nfs/dbraw/zinc/12/08/81/564120881.db2.gz JYTQKFHZLRRUGN-RMKNXTFCSA-N 0 0 326.209 4.050 50 0 EIAARN O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000170652104 564120882 /nfs/dbraw/zinc/12/08/82/564120882.db2.gz DOBZMLAHFNMDFS-QFIPXVFZSA-N 0 0 348.446 4.208 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C)n1C1CC1 ZINC000007617701 564121048 /nfs/dbraw/zinc/12/10/48/564121048.db2.gz JIIAWSHOOYDZOL-LLVKDONJSA-N 0 0 340.452 4.075 50 0 EIAARN Cc1nc2ccccc2n1CC(=O)O[C@H](C)c1ccccc1Cl ZINC000007734832 564122409 /nfs/dbraw/zinc/12/24/09/564122409.db2.gz XHEQYZKLMGSYGO-GFCCVEGCSA-N 0 0 328.799 4.303 50 0 EIAARN Cc1nc2ccccc2n1CC(=O)O[C@@H](C)c1ccccc1Cl ZINC000007734829 564122411 /nfs/dbraw/zinc/12/24/11/564122411.db2.gz XHEQYZKLMGSYGO-LBPRGKRZSA-N 0 0 328.799 4.303 50 0 EIAARN Cc1noc(C)c1CSc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000007735753 564122425 /nfs/dbraw/zinc/12/24/25/564122425.db2.gz BZLTYVRGORTUDH-UHFFFAOYSA-N 0 0 346.481 4.049 50 0 EIAARN Cc1c2ccccc2oc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000007738610 564122522 /nfs/dbraw/zinc/12/25/22/564122522.db2.gz HNVUKFUXSGODTI-OAHLLOKOSA-N 0 0 345.402 4.418 50 0 EIAARN Cc1cc2nc(Oc3ccc(-c4nnco4)cc3)c3ccccc3n2n1 ZINC000007737830 564122528 /nfs/dbraw/zinc/12/25/28/564122528.db2.gz XSODFVVDYOWQRK-UHFFFAOYSA-N 0 0 343.346 4.033 50 0 EIAARN CCC(CC)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000002216919 564123490 /nfs/dbraw/zinc/12/34/90/564123490.db2.gz BLWAGHVTLDDIBZ-UHFFFAOYSA-N 0 0 339.848 4.145 50 0 EIAARN O=C(NOCc1ccccc1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065987951 564122927 /nfs/dbraw/zinc/12/29/27/564122927.db2.gz FRBPAIQPMMWJDN-UHFFFAOYSA-N 0 0 349.434 4.189 50 0 EIAARN Cc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Cl)c1 ZINC000007779489 564123068 /nfs/dbraw/zinc/12/30/68/564123068.db2.gz PIQSUYUZUSBXFO-UHFFFAOYSA-N 0 0 326.783 4.295 50 0 EIAARN COc1cccc(CNC(=O)c2ccc(C3SCCS3)cc2)c1 ZINC000007780361 564123148 /nfs/dbraw/zinc/12/31/48/564123148.db2.gz JKKZOLSRQRSXHX-UHFFFAOYSA-N 0 0 345.489 4.104 50 0 EIAARN Cc1cc(Cl)ccc1OCCCC(=O)NOCc1ccccc1 ZINC000007791453 564123420 /nfs/dbraw/zinc/12/34/20/564123420.db2.gz HWSWQULPJQAIGZ-UHFFFAOYSA-N 0 0 333.815 4.055 50 0 EIAARN Cc1cc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(C)o1 ZINC000195564911 564123854 /nfs/dbraw/zinc/12/38/54/564123854.db2.gz VZTGMAFFVRKRBC-POZUXBRTSA-N 0 0 342.439 4.177 50 0 EIAARN Cc1csc(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)n1 ZINC000007817049 564124031 /nfs/dbraw/zinc/12/40/31/564124031.db2.gz YWZXMZBIFLVHCH-SECBINFHSA-N 0 0 344.408 4.172 50 0 EIAARN Cc1cc(COC(=O)c2cc3c(s2)-c2ccccc2CC3)no1 ZINC000007834906 564124163 /nfs/dbraw/zinc/12/41/63/564124163.db2.gz ZSRQXQBXJDPGDV-UHFFFAOYSA-N 0 0 325.389 4.167 50 0 EIAARN C[C@@H](NC(=O)COc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000007890701 564124462 /nfs/dbraw/zinc/12/44/62/564124462.db2.gz VGNVYMSVBOAMRT-GFCCVEGCSA-N 0 0 329.783 4.342 50 0 EIAARN C[C@H](NC(=O)COc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000007890698 564124463 /nfs/dbraw/zinc/12/44/63/564124463.db2.gz VGNVYMSVBOAMRT-LBPRGKRZSA-N 0 0 329.783 4.342 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252695205 564125000 /nfs/dbraw/zinc/12/50/00/564125000.db2.gz WGYHVQYXJNPQAA-FFSPKELQSA-N 0 0 332.484 4.099 50 0 EIAARN Cc1nc(COc2ccccc2C(=O)NC2CCCCC2)cs1 ZINC000007918541 564125152 /nfs/dbraw/zinc/12/51/52/564125152.db2.gz RKVLGYUHQHBGSS-UHFFFAOYSA-N 0 0 330.453 4.093 50 0 EIAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC21OCCO1 ZINC000003881630 564128929 /nfs/dbraw/zinc/12/89/29/564128929.db2.gz AOYBIWCQSGSYJF-SLHNCBLASA-N 0 0 328.452 4.037 50 0 biogenic EIAARN CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004081725 564128982 /nfs/dbraw/zinc/12/89/82/564128982.db2.gz FRQMUZJSZHZSGN-SPRSAMODSA-N 0 0 344.495 4.084 50 0 biogenic EIAARN O=C(c1cc(C(=O)c2ccccc2)n2ccccc12)c1ccccc1 ZINC000019898385 564129084 /nfs/dbraw/zinc/12/90/84/564129084.db2.gz JAJRRNIHGVGAAD-UHFFFAOYSA-N 0 0 325.367 4.401 50 0 EIAARN C[C@]12CC=C3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000022001458 564129110 /nfs/dbraw/zinc/12/91/10/564129110.db2.gz MCNZISFQKMPWRJ-DOYHNPMNSA-N 0 0 338.447 4.290 50 0 in-vitro EIAARN COCCOC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc21 ZINC000002286315 564130265 /nfs/dbraw/zinc/13/02/65/564130265.db2.gz AOBFUOFDQKCREL-UHFFFAOYSA-N 0 0 340.375 4.123 50 0 EIAARN O=C(Nc1cnc(-c2ccccc2)s1)c1ccncc1C(F)(F)F ZINC000253395079 564130500 /nfs/dbraw/zinc/13/05/00/564130500.db2.gz SIQHJGVFCMRVRJ-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN C=Cc1ccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1 ZINC000253416239 564130714 /nfs/dbraw/zinc/13/07/14/564130714.db2.gz GMWLNRHUQSUNPM-UHFFFAOYSA-N 0 0 334.419 4.126 50 0 EIAARN CCOc1ccccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1 ZINC000253416274 564130760 /nfs/dbraw/zinc/13/07/60/564130760.db2.gz NSFYFZGGZYZVRY-UHFFFAOYSA-N 0 0 336.416 4.370 50 0 EIAARN CCCN(CC)c1ccc(C(=O)N2CCCCC[C@H]2C[C@H](C)O)cc1 ZINC000253418008 564130848 /nfs/dbraw/zinc/13/08/48/564130848.db2.gz FOSSMBINKPXWEE-PXNSSMCTSA-N 0 0 346.515 4.079 50 0 EIAARN Cc1csc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1Cl ZINC000253430029 564131292 /nfs/dbraw/zinc/13/12/92/564131292.db2.gz JKZJKESSERRPTK-VXGBXAGGSA-N 0 0 339.844 4.031 50 0 EIAARN CCCSc1nnc2c3c4c(sc3nc(SC)n12)CCC4 ZINC000002299390 564131862 /nfs/dbraw/zinc/13/18/62/564131862.db2.gz GYZHZEAOUFNXHY-UHFFFAOYSA-N 0 0 336.511 4.052 50 0 EIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000253472858 564132665 /nfs/dbraw/zinc/13/26/65/564132665.db2.gz QCVCWPKUBNBVCT-CQSZACIVSA-N 0 0 337.394 4.351 50 0 EIAARN CCc1cccc(C)c1NC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000056531395 564132915 /nfs/dbraw/zinc/13/29/15/564132915.db2.gz MJPHGUSJIIVVNL-QGZVFWFLSA-N 0 0 337.467 4.303 50 0 EIAARN Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000585101650 564133999 /nfs/dbraw/zinc/13/39/99/564133999.db2.gz FQWVSTLKXXFMFL-UHFFFAOYSA-N 0 0 347.422 4.079 50 0 EIAARN C[C@@H](NC(=O)/C=C/c1ccccc1)c1cccc(Br)c1 ZINC000027746014 564134344 /nfs/dbraw/zinc/13/43/44/564134344.db2.gz NLBKFLGYIVGFMZ-OCHBPSSRSA-N 0 0 330.225 4.340 50 0 EIAARN CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000027822787 564134788 /nfs/dbraw/zinc/13/47/88/564134788.db2.gz QOVWWBSEMSLMJY-UHFFFAOYSA-N 0 0 345.892 4.002 50 0 EIAARN Cc1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000002419361 564134804 /nfs/dbraw/zinc/13/48/04/564134804.db2.gz YDDRFNCQDXLRPA-UHFFFAOYSA-N 0 0 341.798 4.270 50 0 EIAARN CN(C(=O)[C@@H]1CCC(=O)c2ccccc21)c1nc2ccccc2s1 ZINC000225448040 564134805 /nfs/dbraw/zinc/13/48/05/564134805.db2.gz HROJFDFKXQMJMR-CQSZACIVSA-N 0 0 336.416 4.019 50 0 EIAARN COc1ccc(-c2nnn3cc(C(F)(F)F)cc(Cl)c23)cc1 ZINC000081935137 564135474 /nfs/dbraw/zinc/13/54/74/564135474.db2.gz FZDPNFXXXHOJQJ-UHFFFAOYSA-N 0 0 327.693 4.077 50 0 EIAARN O=C1C(=Cc2ccc(Cl)cc2)NC(=S)N1c1ccc(Cl)cc1 ZINC000012957313 564135744 /nfs/dbraw/zinc/13/57/44/564135744.db2.gz SJMHOIBGDQLPFB-ZROIWOOFSA-N 0 0 349.242 4.256 50 0 EIAARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)/C=C/c1cccs1 ZINC000013107349 564135974 /nfs/dbraw/zinc/13/59/74/564135974.db2.gz BVMIUBUVXHYEMB-BUOIISENSA-N 0 0 334.853 4.095 50 0 EIAARN Cc1nn(C)c(NC(=O)Nc2cccc(F)c2)c1C1=CCCCC1 ZINC000013365762 564136294 /nfs/dbraw/zinc/13/62/94/564136294.db2.gz RLMYOQZANYDDEJ-UHFFFAOYSA-N 0 0 328.391 4.469 50 0 EIAARN O=C(c1ccc(F)cc1)c1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000078800506 564137177 /nfs/dbraw/zinc/13/71/77/564137177.db2.gz VFGUVUIASAEXID-UHFFFAOYSA-N 0 0 328.730 4.292 50 0 EIAARN CS[C@@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000078821161 564137258 /nfs/dbraw/zinc/13/72/58/564137258.db2.gz CWSSUFZAKKPWPY-NHYWBVRUSA-N 0 0 349.887 4.145 50 0 EIAARN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCc1cccnc1 ZINC000079070837 564137826 /nfs/dbraw/zinc/13/78/26/564137826.db2.gz YDTJRAPKJLLDCT-LBPRGKRZSA-N 0 0 349.261 4.467 50 0 EIAARN c1csc(-c2noc(CCCOc3ccc4ncccc4c3)n2)c1 ZINC000079075758 564137841 /nfs/dbraw/zinc/13/78/41/564137841.db2.gz MGFUNYPKKWGBRF-UHFFFAOYSA-N 0 0 337.404 4.358 50 0 EIAARN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000079103230 564137889 /nfs/dbraw/zinc/13/78/89/564137889.db2.gz UYBWHBHVIAGPAK-BDJLRTHQSA-N 0 0 338.234 4.235 50 0 EIAARN CC[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ncc(C)s1 ZINC000095437381 564140436 /nfs/dbraw/zinc/14/04/36/564140436.db2.gz OOHGZGZROIIFDX-LBPRGKRZSA-N 0 0 330.375 4.433 50 0 EIAARN Cn1cccc1[C@H]1CCCN1C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000079666232 564138286 /nfs/dbraw/zinc/13/82/86/564138286.db2.gz AKJWBZDNCRTBFR-LJQANCHMSA-N 0 0 349.434 4.332 50 0 EIAARN COc1cc(SC)ccc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000278415021 564138356 /nfs/dbraw/zinc/13/83/56/564138356.db2.gz ZROGDUDMWIKVNP-CJNGLKHVSA-N 0 0 337.485 4.197 50 0 EIAARN O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccccc1Cl ZINC000390830393 564138659 /nfs/dbraw/zinc/13/86/59/564138659.db2.gz KULZWJHHVYFSIY-UHFFFAOYSA-N 0 0 347.823 4.079 50 0 EIAARN C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cncc(F)c1 ZINC000390833289 564138778 /nfs/dbraw/zinc/13/87/78/564138778.db2.gz FSKSCHUGHUYWKL-MRVPVSSYSA-N 0 0 346.711 4.384 50 0 EIAARN Cc1nnc(CSc2nc3c(cccc3Br)s2)o1 ZINC000390834076 564138902 /nfs/dbraw/zinc/13/89/02/564138902.db2.gz RHLPDJKLLOGGED-UHFFFAOYSA-N 0 0 342.243 4.043 50 0 EIAARN CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1-c1noc(C)n1 ZINC000095414641 564139746 /nfs/dbraw/zinc/13/97/46/564139746.db2.gz SKHUGRJAWXSTIP-KRWDZBQOSA-N 0 0 343.427 4.111 50 0 EIAARN CC(C)N(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CCC1 ZINC000080425826 564139761 /nfs/dbraw/zinc/13/97/61/564139761.db2.gz RJEWCLNPYOLYLV-UHFFFAOYSA-N 0 0 325.412 4.017 50 0 EIAARN CCc1cc(=O)c2cc(NC(=O)[C@@H](CC)c3ccccc3)ccc2[nH]1 ZINC000095465059 564140960 /nfs/dbraw/zinc/14/09/60/564140960.db2.gz OIMKGYKPOXSZPP-KRWDZBQOSA-N 0 0 334.419 4.223 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(F)cc1C ZINC000007962296 564141779 /nfs/dbraw/zinc/14/17/79/564141779.db2.gz YDWHGKJYXLKYMV-UHFFFAOYSA-N 0 0 331.435 4.175 50 0 EIAARN Cc1nc(C2CC2)oc1C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000095940032 564141951 /nfs/dbraw/zinc/14/19/51/564141951.db2.gz UKEOOQCNGQLBSY-UHFFFAOYSA-N 0 0 330.359 4.041 50 0 EIAARN Clc1ccc(CN2CCCN(c3ncccc3Cl)CC2)cc1 ZINC000095946987 564142277 /nfs/dbraw/zinc/14/22/77/564142277.db2.gz VHEFGBZUSRAYAA-UHFFFAOYSA-N 0 0 336.266 4.101 50 0 EIAARN CS[C@H](CNC(=O)Nc1nc(C)c(C)o1)c1cccc(Cl)c1 ZINC000095957617 564142594 /nfs/dbraw/zinc/14/25/94/564142594.db2.gz MWAPJJARYYFAFD-CYBMUJFWSA-N 0 0 339.848 4.171 50 0 EIAARN C[C@@H](c1ccccc1)[C@](C)(O)C(=O)OCc1ccc(F)cc1Cl ZINC000095963507 564142826 /nfs/dbraw/zinc/14/28/26/564142826.db2.gz KTGXYVUOCKSJMA-SGTLLEGYSA-N 0 0 336.790 4.077 50 0 EIAARN Cc1cnc(CNc2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)o1 ZINC000095966866 564142988 /nfs/dbraw/zinc/14/29/88/564142988.db2.gz GJBFWDJXYCOYIY-UHFFFAOYSA-N 0 0 343.427 4.283 50 0 EIAARN COC[C@H](N[C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000095968160 564143130 /nfs/dbraw/zinc/14/31/30/564143130.db2.gz CZPSIDRYUDOPTP-ZBEGNZNMSA-N 0 0 342.336 4.278 50 0 EIAARN Cc1nnc([C@H](C)OC(=O)c2cc(-c3ccccn3)ccc2Cl)o1 ZINC000095974379 564143519 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BDLZBTUERGMPQQ-UHFFFAOYSA-N 0 0 334.423 4.431 50 0 EIAARN Cc1cc(C)n(-c2ccc(Cc3ccc(Cl)cc3Cl)nn2)n1 ZINC000003133421 564155388 /nfs/dbraw/zinc/15/53/88/564155388.db2.gz WCUPGLQRSUOPBY-UHFFFAOYSA-N 0 0 333.222 4.177 50 0 EIAARN Cn1nc(-c2ccccc2)c(COC(=O)c2ccc(F)cc2)c1Cl ZINC000003135095 564155424 /nfs/dbraw/zinc/15/54/24/564155424.db2.gz OZIGZAXQXYDBAE-UHFFFAOYSA-N 0 0 344.773 4.237 50 0 EIAARN Cc1cc2sc(NC(=O)COc3ccccc3F)nc2c(C)c1 ZINC000003184216 564155767 /nfs/dbraw/zinc/15/57/67/564155767.db2.gz NDQKYZBRJNYISJ-UHFFFAOYSA-N 0 0 330.384 4.070 50 0 EIAARN COc1cc(NC2=Nc3cccc4cccc2c34)cc(OC)c1OC ZINC000003195860 564155847 /nfs/dbraw/zinc/15/58/47/564155847.db2.gz XEGZRSQVJYHWQT-UHFFFAOYSA-N 0 0 334.375 4.369 50 0 EIAARN CC(C)c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000003216562 564156099 /nfs/dbraw/zinc/15/60/99/564156099.db2.gz DOMGMBIJWCCBPU-UHFFFAOYSA-N 0 0 331.799 4.259 50 0 EIAARN CN(C(=O)CSc1ccc(Br)cc1)C1CCCCC1 ZINC000003223128 564156249 /nfs/dbraw/zinc/15/62/49/564156249.db2.gz QAHVPMBXQVKTFM-UHFFFAOYSA-N 0 0 342.302 4.332 50 0 EIAARN O=C(CSc1ncccn1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003253714 564156612 /nfs/dbraw/zinc/15/66/12/564156612.db2.gz PNTDSVURKMPTHJ-UHFFFAOYSA-N 0 0 348.642 4.168 50 0 EIAARN CC(C)c1ccccc1NC(=O)CSc1ncnc2ccccc21 ZINC000003254665 564156623 /nfs/dbraw/zinc/15/66/23/564156623.db2.gz BIKVFINRQCSANH-UHFFFAOYSA-N 0 0 337.448 4.484 50 0 EIAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000003259771 564156709 /nfs/dbraw/zinc/15/67/09/564156709.db2.gz BPRLBVVDVQSPKM-UHFFFAOYSA-N 0 0 339.288 4.446 50 0 EIAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc(F)cc1Cl ZINC000003285991 564156975 /nfs/dbraw/zinc/15/69/75/564156975.db2.gz UAXYPJVSSVIMIA-UHFFFAOYSA-N 0 0 336.746 4.047 50 0 EIAARN FC(F)Oc1ccc(NC(=S)Nc2cccnc2Cl)cc1 ZINC000003287737 564157023 /nfs/dbraw/zinc/15/70/23/564157023.db2.gz GPMCTXRALSMMQP-UHFFFAOYSA-N 0 0 329.759 4.145 50 0 EIAARN CCCCO[C@@H](C)C(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000058004669 564157115 /nfs/dbraw/zinc/15/71/15/564157115.db2.gz FURQMWHTDDIDKW-LBPRGKRZSA-N 0 0 343.452 4.435 50 0 EIAARN COc1ccc(OC)c([C@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)c1 ZINC000030781230 564157725 /nfs/dbraw/zinc/15/77/25/564157725.db2.gz KKBIKUIPEXXCEZ-GKCIPKSASA-N 0 0 325.408 4.257 50 0 EIAARN Cc1ccnn1-c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000030996390 564158310 /nfs/dbraw/zinc/15/83/10/564158310.db2.gz HJFJNGOHFLGWMT-UHFFFAOYSA-N 0 0 343.430 4.110 50 0 EIAARN Cc1cc(C)c(C(=O)COC(=O)c2ccc3ncsc3c2)cc1C ZINC000003478915 564158387 /nfs/dbraw/zinc/15/83/87/564158387.db2.gz VFIMYYOYVJHOAX-UHFFFAOYSA-N 0 0 339.416 4.261 50 0 EIAARN O=C(NC1CCCC1)c1ccc(N2CCSc3ncccc32)s1 ZINC000015769699 564158939 /nfs/dbraw/zinc/15/89/39/564158939.db2.gz OODQZRQLVOEGMT-UHFFFAOYSA-N 0 0 345.493 4.059 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3nnc(C(C)C)s3)s2)o1 ZINC000031276619 564159245 /nfs/dbraw/zinc/15/92/45/564159245.db2.gz XOPXHICASIUWRU-UHFFFAOYSA-N 0 0 348.453 4.247 50 0 EIAARN Cc1cccc(-n2ccnc2SC[C@@H](O)c2ccccc2F)c1C ZINC000031444983 564159419 /nfs/dbraw/zinc/15/94/19/564159419.db2.gz HGCLATMGTSNYHO-GOSISDBHSA-N 0 0 342.439 4.454 50 0 EIAARN Fc1ccc(-c2nc(COc3ccccc3Br)no2)cc1 ZINC000031671220 564159680 /nfs/dbraw/zinc/15/96/80/564159680.db2.gz BTNSASVXIJIPBX-UHFFFAOYSA-N 0 0 349.159 4.217 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1OC ZINC000031819575 564159974 /nfs/dbraw/zinc/15/99/74/564159974.db2.gz IACVKGLSLZNTAD-OAHLLOKOSA-N 0 0 349.390 4.013 50 0 EIAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000031903806 564160200 /nfs/dbraw/zinc/16/02/00/564160200.db2.gz DDERHCWRQOTABS-UHFFFAOYSA-N 0 0 336.284 4.255 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)Nc3nc(C(C)C)cs3)cs2)o1 ZINC000031892408 564160130 /nfs/dbraw/zinc/16/01/30/564160130.db2.gz LBMCWKPUDMHJIJ-UHFFFAOYSA-N 0 0 347.465 4.473 50 0 EIAARN CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000031903452 564160153 /nfs/dbraw/zinc/16/01/53/564160153.db2.gz WYJDONXUEUODGG-SFHVURJKSA-N 0 0 347.462 4.201 50 0 EIAARN COC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004084056 564160420 /nfs/dbraw/zinc/16/04/20/564160420.db2.gz VBAOKHVYDOQJSK-JGNIRXSJSA-N 0 0 348.527 4.222 50 0 biogenic EIAARN O=C(Nc1ccc2c(c1)CCC2)c1ccccc1OCc1ccncc1 ZINC000032063896 564160553 /nfs/dbraw/zinc/16/05/53/564160553.db2.gz KZDZFBSPKCROKT-UHFFFAOYSA-N 0 0 344.414 4.402 50 0 EIAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(F)cc21 ZINC000032097022 564160747 /nfs/dbraw/zinc/16/07/47/564160747.db2.gz BCYNOMBKZHWJEE-CQSZACIVSA-N 0 0 349.409 4.009 50 0 EIAARN Cc1nc(CSCCC(=O)NCC(C)(C)c2ccccc2)cs1 ZINC000032474475 564161505 /nfs/dbraw/zinc/16/15/05/564161505.db2.gz WGKULNNESZRBJB-UHFFFAOYSA-N 0 0 348.537 4.169 50 0 EIAARN C[N@H+](Cc1cccc(C(=O)[O-])c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000263397793 564161507 /nfs/dbraw/zinc/16/15/07/564161507.db2.gz HDNJNNHQUTUYGW-RTBURBONSA-N 0 0 339.435 4.063 50 0 EIAARN C[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1nc(-c2ccccc2)cs1 ZINC000263403468 564161520 /nfs/dbraw/zinc/16/15/20/564161520.db2.gz IXPBQRROQYNWHY-LRVUVFPRSA-N 0 0 330.453 4.104 50 0 EIAARN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000263436075 564161721 /nfs/dbraw/zinc/16/17/21/564161721.db2.gz USGPVQHBMDFEOE-GOSISDBHSA-N 0 0 329.371 4.057 50 0 EIAARN Fc1cc(Br)ccc1NC(=S)NCc1cccs1 ZINC000007982984 564161762 /nfs/dbraw/zinc/16/17/62/564161762.db2.gz VWDVCVDCZIOWJU-UHFFFAOYSA-N 0 0 345.262 4.136 50 0 EIAARN CC(=O)Nc1ccc(Sc2ncnc3sc4c(c32)CCC4)cc1 ZINC000007983549 564161796 /nfs/dbraw/zinc/16/17/96/564161796.db2.gz AHNBSGCSADTZBS-UHFFFAOYSA-N 0 0 341.461 4.290 50 0 EIAARN O=C(CCc1cccs1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000007987561 564161885 /nfs/dbraw/zinc/16/18/85/564161885.db2.gz XSUCAUOOJVIURD-UHFFFAOYSA-N 0 0 340.448 4.228 50 0 EIAARN Cc1nc(-c2ccccc2)sc1C(=O)Oc1ccc2c(c1)OCO2 ZINC000008060686 564162424 /nfs/dbraw/zinc/16/24/24/564162424.db2.gz MNPGCCUOMHKOQS-UHFFFAOYSA-N 0 0 339.372 4.066 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(Cl)cc1 ZINC000008062486 564162450 /nfs/dbraw/zinc/16/24/50/564162450.db2.gz AGDUVUCZJDLRFU-UHFFFAOYSA-N 0 0 330.840 4.151 50 0 EIAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(cccc2F)s1 ZINC000008072888 564162515 /nfs/dbraw/zinc/16/25/15/564162515.db2.gz KRFGHYIDGZUUNM-UHFFFAOYSA-N 0 0 343.379 4.041 50 0 EIAARN O=C(NCc1ccccc1Cl)c1cc(F)ccc1Br ZINC000008076899 564162594 /nfs/dbraw/zinc/16/25/94/564162594.db2.gz ATWZNMQTQLDGNP-UHFFFAOYSA-N 0 0 342.595 4.172 50 0 EIAARN O=C(Cc1cccs1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008086311 564162611 /nfs/dbraw/zinc/16/26/11/564162611.db2.gz FYBCBUJUXILQEO-UHFFFAOYSA-N 0 0 342.489 4.307 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000263525845 564162778 /nfs/dbraw/zinc/16/27/78/564162778.db2.gz UAKUGYRBEPQKEY-PVAVHDDUSA-N 0 0 342.464 4.028 50 0 EIAARN O=C(NCc1ccccc1)c1cccc(OCCOc2ccccc2)c1 ZINC000008121356 564162808 /nfs/dbraw/zinc/16/28/08/564162808.db2.gz IAKVJRANFOHYQZ-UHFFFAOYSA-N 0 0 347.414 4.074 50 0 EIAARN C[C@@H](NC(=O)CN(C)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000008127467 564162962 /nfs/dbraw/zinc/16/29/62/564162962.db2.gz PEKLXDGXGKPRLA-QGZVFWFLSA-N 0 0 332.447 4.149 50 0 EIAARN C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccccc1 ZINC000008131063 564162976 /nfs/dbraw/zinc/16/29/76/564162976.db2.gz DEKBJJDCJPHBHT-NSHDSACASA-N 0 0 328.368 4.239 50 0 EIAARN COCc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000008131379 564162991 /nfs/dbraw/zinc/16/29/91/564162991.db2.gz ZCYKCNYPAQOIHC-UHFFFAOYSA-N 0 0 339.391 4.127 50 0 EIAARN Cn1c2ccccc2nc1SCc1cc(Cl)cc2c1OCOC2 ZINC000008131852 564163023 /nfs/dbraw/zinc/16/30/23/564163023.db2.gz OMVKOFMJKGLVSM-UHFFFAOYSA-N 0 0 346.839 4.386 50 0 EIAARN Cc1occc1-c1nnc(SCc2ccc(-n3cccn3)cc2)o1 ZINC000008157091 564163257 /nfs/dbraw/zinc/16/32/57/564163257.db2.gz ZJWKPUWSACQROK-UHFFFAOYSA-N 0 0 338.392 4.116 50 0 EIAARN C[C@@H](Sc1ncnc2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000008188849 564163433 /nfs/dbraw/zinc/16/34/33/564163433.db2.gz DTPHTCIKTDSXPO-GFCCVEGCSA-N 0 0 333.416 4.475 50 0 EIAARN C[C@@H](Sc1ncnc2ccccc21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000008189372 564163452 /nfs/dbraw/zinc/16/34/52/564163452.db2.gz LWDQCHJUZSWSSA-UONOGXRCSA-N 0 0 349.459 4.088 50 0 EIAARN Cc1sc2ncnc(Sc3nnc(-c4ccco4)o3)c2c1C ZINC000008198897 564163503 /nfs/dbraw/zinc/16/35/03/564163503.db2.gz NNGJDAOGYRVFHA-UHFFFAOYSA-N 0 0 330.394 4.102 50 0 EIAARN Cc1cc(C)c(NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000008266440 564163857 /nfs/dbraw/zinc/16/38/57/564163857.db2.gz FXTVLAQUPJRXSW-HZPDHXFCSA-N 0 0 334.891 4.407 50 0 EIAARN COc1cccc(CNC(=O)COc2ccc(-c3ccccc3)cc2)c1 ZINC000008379034 564164783 /nfs/dbraw/zinc/16/47/83/564164783.db2.gz NJYPYPMKPVGEKT-UHFFFAOYSA-N 0 0 347.414 4.057 50 0 EIAARN CC[C@H]([NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC000263578971 564164834 /nfs/dbraw/zinc/16/48/34/564164834.db2.gz UAMBJMPODORKPI-ZANVPECISA-N 0 0 338.860 4.286 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067024742 564164929 /nfs/dbraw/zinc/16/49/29/564164929.db2.gz LAEZNIWVWJBZCD-IAGOWNOFSA-N 0 0 327.403 4.270 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067024740 564164965 /nfs/dbraw/zinc/16/49/65/564164965.db2.gz LAEZNIWVWJBZCD-DLBZAZTESA-N 0 0 327.403 4.270 50 0 EIAARN CCc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CC)cc1 ZINC000008482833 564165415 /nfs/dbraw/zinc/16/54/15/564165415.db2.gz RGHDNTAWSWSAML-UHFFFAOYSA-N 0 0 341.436 4.095 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000008491419 564165454 /nfs/dbraw/zinc/16/54/54/564165454.db2.gz IPZYPYNYIFZEHC-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN C[C@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1cccc(Cl)c1 ZINC000008532154 564165600 /nfs/dbraw/zinc/16/56/00/564165600.db2.gz OTBGQMDBMGVHNO-LLVKDONJSA-N 0 0 338.785 4.077 50 0 EIAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2N1CCCCCC1 ZINC000008582973 564165849 /nfs/dbraw/zinc/16/58/49/564165849.db2.gz VJNQYKZIBJRTDW-UHFFFAOYSA-N 0 0 341.846 4.158 50 0 EIAARN CC[C@@H](C)NC(=O)c1sc2ncccc2c1-n1c(C)ccc1C ZINC000008610892 564166048 /nfs/dbraw/zinc/16/60/48/564166048.db2.gz QXLLAVMFQHMGFP-LLVKDONJSA-N 0 0 327.453 4.232 50 0 EIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1Cl ZINC000008656787 564166216 /nfs/dbraw/zinc/16/62/16/564166216.db2.gz FYMKASLMJWVPRM-UHFFFAOYSA-N 0 0 331.828 4.256 50 0 EIAARN Cc1ccc(NC(=O)CCCc2nc(-c3ccco3)no2)cc1Cl ZINC000008673559 564166250 /nfs/dbraw/zinc/16/62/50/564166250.db2.gz KCCNJGWRZNSONY-UHFFFAOYSA-N 0 0 345.786 4.253 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000008734251 564167095 /nfs/dbraw/zinc/16/70/95/564167095.db2.gz FEGJUNIACLYWIZ-UHFFFAOYSA-N 0 0 349.409 4.369 50 0 EIAARN CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000040120455 564168186 /nfs/dbraw/zinc/16/81/86/564168186.db2.gz WVFHYWDNYNYMHB-QGZVFWFLSA-N 0 0 349.352 4.274 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000245237679 564168810 /nfs/dbraw/zinc/16/88/10/564168810.db2.gz QLLGRFSREQQRPP-JLSDUUJJSA-N 0 0 334.891 4.172 50 0 EIAARN O=C(Nc1cccc(Oc2cccnn2)c1)c1cc2c(cccc2F)[nH]1 ZINC000173172925 564168936 /nfs/dbraw/zinc/16/89/36/564168936.db2.gz OMIZDTJLCFIBOA-UHFFFAOYSA-N 0 0 348.337 4.142 50 0 EIAARN CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000069414838 564169206 /nfs/dbraw/zinc/16/92/06/564169206.db2.gz MYVUZQCKURIPSH-CQSZACIVSA-N 0 0 345.418 4.018 50 0 EIAARN Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000069435595 564169471 /nfs/dbraw/zinc/16/94/71/564169471.db2.gz NJAIEXWHKUZQSB-QGZVFWFLSA-N 0 0 336.391 4.149 50 0 EIAARN CCOC(=O)c1csc(NC(=O)c2sc3ccccc3c2C)n1 ZINC000069454641 564169650 /nfs/dbraw/zinc/16/96/50/564169650.db2.gz FDZLGHMBHUFYRG-UHFFFAOYSA-N 0 0 346.433 4.095 50 0 EIAARN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1c1ccccn1 ZINC000069516328 564170070 /nfs/dbraw/zinc/17/00/70/564170070.db2.gz JNCZHBRKJRKJJB-DOTOQJQBSA-N 0 0 348.368 4.481 50 0 EIAARN COc1ccccc1C/C(C)=C/C(=O)N(Cc1cccnc1)C(C)C ZINC000069528483 564170200 /nfs/dbraw/zinc/17/02/00/564170200.db2.gz DMBGRWLDFOYIQK-GHRIWEEISA-N 0 0 338.451 4.016 50 0 EIAARN CCCCN1c2ccc(NC(=O)c3ccccc3C)cc2CCC1=O ZINC000009136674 564170375 /nfs/dbraw/zinc/17/03/75/564170375.db2.gz HQDSKQDIHHERQJ-UHFFFAOYSA-N 0 0 336.435 4.327 50 0 EIAARN O=C(CC1CCCC1)NC1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000069562993 564170493 /nfs/dbraw/zinc/17/04/93/564170493.db2.gz DAUGKRDEWITOCI-UHFFFAOYSA-N 0 0 346.446 4.020 50 0 EIAARN O=C(Nc1ccccc1Sc1nncs1)[C@H]1C[C@@H]1c1ccco1 ZINC000069566782 564170529 /nfs/dbraw/zinc/17/05/29/564170529.db2.gz LXOZGHUUDWWWJU-QWRGUYRKSA-N 0 0 343.433 4.025 50 0 EIAARN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1csc(-c2ncccn2)n1 ZINC000069593686 564170789 /nfs/dbraw/zinc/17/07/89/564170789.db2.gz YKXOGASWMZVUFR-LLVKDONJSA-N 0 0 346.406 4.071 50 0 EIAARN CN(C(=O)[C@H]1Cc2ccccc2O1)C(c1ccccc1)c1ccccc1 ZINC000069599700 564170863 /nfs/dbraw/zinc/17/08/63/564170863.db2.gz YKLSFGRYQNCABE-OAQYLSRUSA-N 0 0 343.426 4.238 50 0 EIAARN Fc1cccc(F)c1CN(Cc1nnc(C2CC2)o1)C1CCCC1 ZINC000069616802 564170901 /nfs/dbraw/zinc/17/09/01/564170901.db2.gz KPCMARDHDYLIOV-UHFFFAOYSA-N 0 0 333.382 4.170 50 0 EIAARN C[C@@H](NC(=O)c1c(F)cccc1Cl)c1nc2c(s1)CCCC2 ZINC000069618657 564170922 /nfs/dbraw/zinc/17/09/22/564170922.db2.gz SMFOWRAJCGDZRH-SECBINFHSA-N 0 0 338.835 4.305 50 0 EIAARN O=C(C[C@@H]1C=CCC1)N[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000069620297 564170943 /nfs/dbraw/zinc/17/09/43/564170943.db2.gz MCVHUCFCSDFDEN-VFNWGFHPSA-N 0 0 332.403 4.390 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)cs2)c(C)c1 ZINC000069633258 564171108 /nfs/dbraw/zinc/17/11/08/564171108.db2.gz CYGKFWRKGPSRLD-AWEZNQCLSA-N 0 0 337.448 4.313 50 0 EIAARN Cc1nc(CC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cs1 ZINC000069653772 564171138 /nfs/dbraw/zinc/17/11/38/564171138.db2.gz DXRSXXPMFUPUFM-SFHVURJKSA-N 0 0 339.464 4.229 50 0 EIAARN C[C@@H](NC(=O)/C=C/c1cscn1)c1nc(-c2ccccc2)cs1 ZINC000069699032 564171556 /nfs/dbraw/zinc/17/15/56/564171556.db2.gz OCPXEDPXWLYCES-ABZNLYFFSA-N 0 0 341.461 4.157 50 0 EIAARN Cc1noc(C)c1CCC(=O)Nc1scnc1-c1ccc(F)cc1 ZINC000069701773 564171595 /nfs/dbraw/zinc/17/15/95/564171595.db2.gz 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CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(Br)s1 ZINC000071282338 564174909 /nfs/dbraw/zinc/17/49/09/564174909.db2.gz MALXIBOXQREVQK-QMMMGPOBSA-N 0 0 340.246 4.412 50 0 EIAARN O=C(NC1CCCC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000042622629 564175092 /nfs/dbraw/zinc/17/50/92/564175092.db2.gz CGGWNQUMHNYKGP-CABCVRRESA-N 0 0 326.465 4.405 50 0 EIAARN Cc1ccc(-c2nc(CN3CCC[C@@H]3c3cnn(C)c3)co2)c(C)c1 ZINC000071797229 564175384 /nfs/dbraw/zinc/17/53/84/564175384.db2.gz ABNQKUFRTDQNAQ-LJQANCHMSA-N 0 0 336.439 4.029 50 0 EIAARN Cn1cc([C@@H]2CCCN2Cc2coc(-c3ccc(Cl)cc3)n2)cn1 ZINC000071799321 564175463 /nfs/dbraw/zinc/17/54/63/564175463.db2.gz MVFGDFKABXBKAI-KRWDZBQOSA-N 0 0 342.830 4.066 50 0 EIAARN OC1CCN(c2ccc(Nc3nc4ccccc4s3)cc2)CC1 ZINC000071811028 564175604 /nfs/dbraw/zinc/17/56/04/564175604.db2.gz XOJVOXDDUQQAHL-UHFFFAOYSA-N 0 0 325.437 4.001 50 0 EIAARN O=C([C@@H](NCc1cc2ccccc2o1)c1ccccc1)N1CCCCC1 ZINC000071818568 564175649 /nfs/dbraw/zinc/17/56/49/564175649.db2.gz WCNOQJZUBCXPOE-NRFANRHFSA-N 0 0 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O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](CCOc2ccccc2)C1 ZINC000581788805 1021874527 /nfs/dbraw/zinc/87/45/27/1021874527.db2.gz WVUMUAQPYLLOQM-KRWDZBQOSA-N 0 0 348.446 4.028 50 0 EIAARN O=C(CSc1n[nH]c(C=Cc2cccs2)n1)c1ccccc1F ZINC000014201147 1022831107 /nfs/dbraw/zinc/83/11/07/1022831107.db2.gz OGEHPUJJOJHFLD-BQYQJAHWSA-N 0 0 345.424 4.151 50 0 EIAARN CN(Cc1ccccc1Cl)C(=O)CCc1c[nH]c2ccccc12 ZINC000005173215 1022932739 /nfs/dbraw/zinc/93/27/39/1022932739.db2.gz QJOLDNGFKZGGFO-UHFFFAOYSA-N 0 0 326.827 4.413 50 0 EIAARN O=C1Nc2ccccc2/C1=C/NC(c1ccccc1)c1ccccc1 ZINC000003877199 1023205075 /nfs/dbraw/zinc/20/50/75/1023205075.db2.gz VAUCSHQGOTWTFH-CYVLTUHYSA-N 0 0 326.399 4.359 50 0 EIAARN O=S(=O)(c1cccc2ccccc21)N1CC[C@@H](c2ccsc2)C1 ZINC000675008315 1023311557 /nfs/dbraw/zinc/31/15/57/1023311557.db2.gz QQZQRPANFNIXCV-OAHLLOKOSA-N 0 0 343.473 4.080 50 0 EIAARN C[C@H](C(=O)Nc1ccccc1)n1cc(Oc2ccc(F)cc2)cn1 ZINC000675030567 1023342118 /nfs/dbraw/zinc/34/21/18/1023342118.db2.gz POBAZEQONLRPPJ-CYBMUJFWSA-N 0 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ZINC001501020856 1026427422 /nfs/dbraw/zinc/42/74/22/1026427422.db2.gz RGHFMUBEOXYTJH-UHFFFAOYSA-N 0 0 326.156 4.041 50 0 EIAARN Cc1n[nH]cc1NC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000194501950 1027312911 /nfs/dbraw/zinc/31/29/11/1027312911.db2.gz GEYCWDVSPBLGPW-UHFFFAOYSA-N 0 0 341.440 4.026 50 0 EIAARN FC(F)(F)c1ccc([C@@H]2OCCC[C@H]2CSc2nc[nH]n2)cc1 ZINC000569020859 1027511184 /nfs/dbraw/zinc/51/11/84/1027511184.db2.gz IVZFMFNVRWDBAH-AAEUAGOBSA-N 0 0 343.374 4.084 50 0 EIAARN CN(Cc1ccc2ccccc2c1)C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000026072433 1027614613 /nfs/dbraw/zinc/61/46/13/1027614613.db2.gz KZEMTVKDVJLGII-DHZHZOJOSA-N 0 0 343.426 4.447 50 0 EIAARN C[C@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C1CCOCC1 ZINC000118968088 1029288221 /nfs/dbraw/zinc/28/82/21/1029288221.db2.gz QNAZFAGLHGSKLB-LBPRGKRZSA-N 0 0 345.443 4.062 50 0 EIAARN CCC(NC(=O)Nc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F ZINC000003189028 1030821343 /nfs/dbraw/zinc/82/13/43/1030821343.db2.gz FUOSIOSGQDJGRT-UHFFFAOYSA-N 0 0 344.255 4.090 50 0 EIAARN CC(C)c1csc([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000263576956 1030990890 /nfs/dbraw/zinc/99/08/90/1030990890.db2.gz QYZYNHFVBZWFMB-INIZCTEOSA-N 0 0 344.480 4.344 50 0 EIAARN COc1ccc2[nH]cc(C3=CCN(C(=O)/C=C(\C)C4CC4)CC3)c2c1 ZINC000058250530 1035475966 /nfs/dbraw/zinc/47/59/66/1035475966.db2.gz QATSMHNLKZNJHR-SDNWHVSQSA-N 0 0 336.435 4.149 50 0 EIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000045120536 1036326999 /nfs/dbraw/zinc/32/69/99/1036326999.db2.gz PYTCCWAXGYLIQH-QAPCUYQASA-N 0 0 339.439 4.006 50 0 EIAARN O=C(c1cc2cc(F)ccc2s1)N1CCC([C@H]2CCCO2)CC1 ZINC000187606359 1036763478 /nfs/dbraw/zinc/76/34/78/1036763478.db2.gz QUBTYQBFWNNOMY-OAHLLOKOSA-N 0 0 333.428 4.072 50 0 EIAARN CCOc1cccc(C=C2SC(=S)NC2=O)c1OC(F)F ZINC000056683449 1036796244 /nfs/dbraw/zinc/79/62/44/1036796244.db2.gz AFMDDRNNLISKGZ-RMKNXTFCSA-N 0 0 331.365 4.016 50 0 EIAARN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000266731611 1036984775 /nfs/dbraw/zinc/98/47/75/1036984775.db2.gz 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/nfs/dbraw/zinc/25/42/27/1040254227.db2.gz XUBRCTFVLUHLAD-UHFFFAOYSA-N 0 0 340.452 4.356 50 0 EIAARN O=C(C=Cc1ccc(C(F)(F)F)cc1)OCC(=O)c1ccccc1 ZINC000096445641 1040870019 /nfs/dbraw/zinc/87/00/19/1040870019.db2.gz MYPOGZKVXONUJH-FLIBITNWSA-N 0 0 334.293 4.145 50 0 EIAARN CC(=CC(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000084099143 1041026363 /nfs/dbraw/zinc/02/63/63/1041026363.db2.gz BFNDHCGMLHQIAG-ZSMUJPCHSA-N 0 0 333.387 4.386 50 0 EIAARN CC(C)c1cc(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)no1 ZINC000266368048 1041341174 /nfs/dbraw/zinc/34/11/74/1041341174.db2.gz IJSJUZWEJJTVDU-AWEZNQCLSA-N 0 0 331.391 4.034 50 0 EIAARN Cc1cccc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)c1 ZINC000000138411 1042537792 /nfs/dbraw/zinc/53/77/92/1042537792.db2.gz ANNRUGVSRZIFIV-UHFFFAOYSA-N 0 0 338.359 4.455 50 0 EIAARN Cc1cccc(C)c1NC(=O)C(C#N)=NNc1ccc2ccccc2c1 ZINC000254556412 1042677841 /nfs/dbraw/zinc/67/78/41/1042677841.db2.gz OYAFPWTXYVNXEG-UHFFFAOYSA-N 0 0 342.402 4.387 50 0 EIAARN Cc1cccc(CNC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000175422687 1042875131 /nfs/dbraw/zinc/87/51/31/1042875131.db2.gz ORJWNUGCBAJOGX-HXUWFJFHSA-N 0 0 335.451 4.142 50 0 EIAARN Fc1cc2nc(/C(Cl)=C/c3cc4n(n3)CCCC4)[nH]c2cc1F ZINC000848639175 1042906658 /nfs/dbraw/zinc/90/66/58/1042906658.db2.gz PTCNONNYZGEAGC-WDZFZDKYSA-N 0 0 334.757 4.111 50 0 EIAARN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCC2(CCC2)C1 ZINC000152844636 1043003075 /nfs/dbraw/zinc/00/30/75/1043003075.db2.gz JNDZOVZVFPLEHQ-INIZCTEOSA-N 0 0 344.455 4.042 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3c3ccc(C)o3)cc2)n1 ZINC000604730910 1043057727 /nfs/dbraw/zinc/05/77/27/1043057727.db2.gz QNHIZRCGTDEYKY-IBGZPJMESA-N 0 0 349.434 4.368 50 0 EIAARN CCN(C(=O)c1cc2occc2s1)c1ccc(OC)c(OC)c1 ZINC000605451529 1043060751 /nfs/dbraw/zinc/06/07/51/1043060751.db2.gz ARDPRDLEKRAWNX-UHFFFAOYSA-N 0 0 331.393 4.178 50 0 EIAARN Cc1nnc(NC(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)s1 ZINC000170889520 1043152278 /nfs/dbraw/zinc/15/22/78/1043152278.db2.gz JSARLGKUQFXBMR-VIFPVBQESA-N 0 0 336.848 4.257 50 0 EIAARN O=C(CSCC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000034132322 1043253827 /nfs/dbraw/zinc/25/38/27/1043253827.db2.gz IQGKHMUFQZIGGN-UHFFFAOYSA-N 0 0 348.427 4.448 50 0 EIAARN CC(C)(C)c1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000377843901 1044401006 /nfs/dbraw/zinc/40/10/06/1044401006.db2.gz SKYKQHFOKPVHIA-CQSZACIVSA-N 0 0 339.439 4.493 50 0 EIAARN O=C(Nc1cccc(NC(=O)[C@H]2CC23CCCCC3)c1)c1cccnc1 ZINC000827701555 1044884123 /nfs/dbraw/zinc/88/41/23/1044884123.db2.gz JYFMMHGVHLMJCS-GOSISDBHSA-N 0 0 349.434 4.243 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2nccn2-c2ccccc2)[C@@H]1c1ccccc1 ZINC000252496620 1045337861 /nfs/dbraw/zinc/33/78/61/1045337861.db2.gz PNBTVGLPNMMFJB-QAPCUYQASA-N 0 0 332.407 4.097 50 0 EIAARN O=C(CSc1n[nH]c(C=Cc2ccccc2)n1)c1ccc(F)cc1 ZINC000032789354 1045967816 /nfs/dbraw/zinc/96/78/16/1045967816.db2.gz XTWUVJJSASKHRX-IZZDOVSWSA-N 0 0 339.395 4.089 50 0 EIAARN CCOC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000033408287 1047166828 /nfs/dbraw/zinc/16/68/28/1047166828.db2.gz PWQBNORHHUXDQR-KAMYIIQDSA-N 0 0 348.402 4.124 50 0 EIAARN CCOc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1OC ZINC000033476402 1047340909 /nfs/dbraw/zinc/34/09/09/1047340909.db2.gz GDTRWFMGBOKNKW-ZROIWOOFSA-N 0 0 329.783 4.240 50 0 EIAARN CC[C@H](Nc1cccnc1Cl)c1nc(CCC(F)(F)F)no1 ZINC000874434715 1047532393 /nfs/dbraw/zinc/53/23/93/1047532393.db2.gz BCPKRDGKWVSVNS-QMMMGPOBSA-N 0 0 334.729 4.176 50 0 EIAARN CCc1nnc(-c2cccc(NC(=O)C(C)(C)c3cccs3)c2)o1 ZINC000175376360 1049353413 /nfs/dbraw/zinc/35/34/13/1049353413.db2.gz XHTYYVQTMSKXNM-UHFFFAOYSA-N 0 0 341.436 4.277 50 0 EIAARN Cc1n[nH]c(C)c1NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000585081916 1049385141 /nfs/dbraw/zinc/38/51/41/1049385141.db2.gz ZOYPFEDCYRIOFY-LJQANCHMSA-N 0 0 326.444 4.002 50 0 EIAARN Cc1cc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cs1 ZINC000585081902 1049385322 /nfs/dbraw/zinc/38/53/22/1049385322.db2.gz XDIXSONKZZUWKW-UHFFFAOYSA-N 0 0 340.370 4.086 50 0 EIAARN CCOC1CC2(C1)CCN(C(=O)CC(C)(C)c1ccc(C)cc1)C2 ZINC000585082099 1049388188 /nfs/dbraw/zinc/38/81/88/1049388188.db2.gz DRLYGQFTSRMCSZ-UHFFFAOYSA-N 0 0 329.484 4.080 50 0 EIAARN CCc1nnc(-c2cccc(N[C@H]3CCc4c(cccc4OC)C3)c2)o1 ZINC000192447445 1049500049 /nfs/dbraw/zinc/50/00/49/1049500049.db2.gz LQEZPMYLWSZOTJ-KRWDZBQOSA-N 0 0 349.434 4.277 50 0 EIAARN C[C@@H]1C[C@@H](Cn2c(C3CC3)nnc2N(C)C2CCCCC2)C[C@H](C)O1 ZINC000585122728 1049578939 /nfs/dbraw/zinc/57/89/39/1049578939.db2.gz CVJGITLFJDXOLM-MUJYYYPQSA-N 0 0 346.519 4.128 50 0 EIAARN Cc1nc(-c2ccc(C(=O)N3CCC[C@@H]3C(F)(F)F)cc2)cs1 ZINC000585127631 1049603970 /nfs/dbraw/zinc/60/39/70/1049603970.db2.gz FZKXUOXQHURAST-CQSZACIVSA-N 0 0 340.370 4.285 50 0 EIAARN C[C@@H](c1ccc(Cn2c3ccccc3c(=O)n2C)cc1)C(F)(F)F ZINC000585133510 1049619376 /nfs/dbraw/zinc/61/93/76/1049619376.db2.gz KAWFNSNPISWNSW-LBPRGKRZSA-N 0 0 334.341 4.054 50 0 EIAARN COc1ccc(C[NH2+][C@@H](CC(C)(C)C)c2cccnc2)cc1C(=O)[O-] ZINC000952966872 1049685392 /nfs/dbraw/zinc/68/53/92/1049685392.db2.gz GFVIYODLEWQNSG-KRWDZBQOSA-N 0 0 342.439 4.056 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(F)c2F)c(C)c1 ZINC000952975952 1049687341 /nfs/dbraw/zinc/68/73/41/1049687341.db2.gz MGHBGFHSHQSXSL-UHFFFAOYSA-N 0 0 336.313 4.013 50 0 EIAARN CCCCN(Cc1cccnc1)C(=O)c1conc1-c1ccccc1 ZINC000952968890 1049688031 /nfs/dbraw/zinc/68/80/31/1049688031.db2.gz LZZRYICUYRQUMX-UHFFFAOYSA-N 0 0 335.407 4.179 50 0 EIAARN Cc1nc(CC(=O)N2CCC(Sc3ccccc3C)CC2)cs1 ZINC000952968260 1049688425 /nfs/dbraw/zinc/68/84/25/1049688425.db2.gz BLLDVFPWERBLPD-UHFFFAOYSA-N 0 0 346.521 4.086 50 0 EIAARN CCCN(C(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc21)C1CCCCC1 ZINC000952986094 1049691640 /nfs/dbraw/zinc/69/16/40/1049691640.db2.gz JNKYDPZPISFVIU-AWEZNQCLSA-N 0 0 341.455 4.010 50 0 EIAARN Cc1cc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)c(C)n1C ZINC000007845601 1049765043 /nfs/dbraw/zinc/76/50/43/1049765043.db2.gz IRTZXNBVACVIEA-UHFFFAOYSA-N 0 0 339.464 4.255 50 0 EIAARN CCCc1ccccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000184041908 1051792427 /nfs/dbraw/zinc/79/24/27/1051792427.db2.gz RFJZJAMYRKYWTO-OAQYLSRUSA-N 0 0 336.435 4.302 50 0 EIAARN CC(C)CCNC(=O)N1c2ccccc2C[C@H]1c1nc(C(C)C)no1 ZINC000581781104 1059978123 /nfs/dbraw/zinc/97/81/23/1059978123.db2.gz DZBAEFCUJODTTJ-INIZCTEOSA-N 0 0 342.443 4.053 50 0 EIAARN CCc1cccc(NC(=O)CC2=C3CCCC[C@H]3N(C(C)C)C2=O)c1 ZINC000581793386 1060006971 /nfs/dbraw/zinc/00/69/71/1060006971.db2.gz YAKMSQYNDWMWLS-LJQANCHMSA-N 0 0 340.467 4.067 50 0 EIAARN O=C(CCC1CCCC1)N1CCCCC[C@H]1c1nc(C2CC2)no1 ZINC000581789581 1060007813 /nfs/dbraw/zinc/00/78/13/1060007813.db2.gz XKGDOMRMMFBPCF-INIZCTEOSA-N 0 0 331.460 4.361 50 0 EIAARN O=C1[C@@H](Oc2ccc(F)cc2)C2(CCCCC2)N1Cc1ccccc1 ZINC000581803510 1060013045 /nfs/dbraw/zinc/01/30/45/1060013045.db2.gz VIRFMGVCJXSTDT-LJQANCHMSA-N 0 0 339.410 4.318 50 0 EIAARN CCCn1c(C)cnc1C[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC000581815465 1060022787 /nfs/dbraw/zinc/02/27/87/1060022787.db2.gz DCVXSFIYBZHUND-LJQANCHMSA-N 0 0 345.531 4.353 50 0 EIAARN CC(C)CCNC(=O)[C@]12CCCC=C1N(c1ccccc1)C(=O)CC2 ZINC000581821592 1060027510 /nfs/dbraw/zinc/02/75/10/1060027510.db2.gz VEJIIGWEKWMWOU-NRFANRHFSA-N 0 0 340.467 4.030 50 0 EIAARN Cc1cccc(/C=C\C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000050647350 214064174 /nfs/dbraw/zinc/06/41/74/214064174.db2.gz ZHXPFHPEIGJPSS-YAINUAMHSA-N 0 0 331.419 4.248 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C)n[nH]2)cc1 ZINC000051315491 214088095 /nfs/dbraw/zinc/08/80/95/214088095.db2.gz YUOUBWNLWCGXPF-UHFFFAOYSA-N 0 0 339.370 4.175 50 0 EIAARN Cc1c(C(=O)N2CCC[C@@]3(CCCO3)CC2)[nH]c2c1c(C)ccc2C ZINC000097637967 219043160 /nfs/dbraw/zinc/04/31/60/219043160.db2.gz CIIQSYYTNYLRAG-OAQYLSRUSA-N 0 0 340.467 4.268 50 0 EIAARN Fc1cc(Nc2nccc(C(F)(F)F)n2)cc(F)c1N1CCCC1 ZINC000052473767 214129437 /nfs/dbraw/zinc/12/94/37/214129437.db2.gz KVVLTHNARDPVFM-UHFFFAOYSA-N 0 0 344.287 4.117 50 0 EIAARN CC[C@H](NC(=O)CCc1ccccn1)c1ccc(Br)cc1 ZINC000062582218 214723154 /nfs/dbraw/zinc/72/31/54/214723154.db2.gz VWOASKQYOMQXDR-INIZCTEOSA-N 0 0 347.256 4.044 50 0 EIAARN Cc1nc(C2CCN(Cc3[nH]c4c(cccc4Cl)c3C)CC2)no1 ZINC000097660390 219046279 /nfs/dbraw/zinc/04/62/79/219046279.db2.gz URASKZDHFYDICE-UHFFFAOYSA-N 0 0 344.846 4.201 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Cc2ccccc2Cl)cc1 ZINC000052915869 214154503 /nfs/dbraw/zinc/15/45/03/214154503.db2.gz NNSPGUPYYYCWMX-GOSISDBHSA-N 0 0 329.827 4.255 50 0 EIAARN c1nn2cc(CN3CC[C@H]3c3ccccc3)cnc2c1-c1ccccc1 ZINC000097681909 219047696 /nfs/dbraw/zinc/04/76/96/219047696.db2.gz WXNHFOFJPISDNA-NRFANRHFSA-N 0 0 340.430 4.343 50 0 EIAARN CC(C)[C@H](CO)N(C)C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1 ZINC000097711766 219049272 /nfs/dbraw/zinc/04/92/72/219049272.db2.gz AIDJHEWJVIKYDL-SFHVURJKSA-N 0 0 346.858 4.488 50 0 EIAARN CC(C)[C@@H](C)n1nccc1NC(=O)NCc1ccc(Cl)s1 ZINC000097713727 219050768 /nfs/dbraw/zinc/05/07/68/219050768.db2.gz DWUTXRNZZWPNTH-SNVBAGLBSA-N 0 0 326.853 4.137 50 0 EIAARN Cc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000004696114 210250920 /nfs/dbraw/zinc/25/09/20/210250920.db2.gz PSKFYDRCVLIUGC-UHFFFAOYSA-N 0 0 331.843 4.432 50 0 EIAARN Cc1c2ccccc2sc1-c1csc(CCN2CCOC2=O)n1 ZINC000055049524 214267573 /nfs/dbraw/zinc/26/75/73/214267573.db2.gz RTEFXXSNVSTJLI-UHFFFAOYSA-N 0 0 344.461 4.328 50 0 EIAARN Cc1cccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)c1 ZINC000004696539 210250284 /nfs/dbraw/zinc/25/02/84/210250284.db2.gz JGYYEPUNADLSQD-GDNBJRDFSA-N 0 0 342.192 4.102 50 0 EIAARN CC(C)CN(C/C=C/c1ccccc1)C(=O)c1ncc(F)cc1F ZINC000055183137 214284962 /nfs/dbraw/zinc/28/49/62/214284962.db2.gz BAMPTBVKMXPHDC-RMKNXTFCSA-N 0 0 330.378 4.171 50 0 EIAARN CC(=O)Nc1cccc2ccc3c(c21)CN(Cc1ccccc1)CO3 ZINC000055246766 214294945 /nfs/dbraw/zinc/29/49/45/214294945.db2.gz SPSLWYHBBWMUQH-UHFFFAOYSA-N 0 0 332.403 4.150 50 0 EIAARN C(=C/c1ccco1)\CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055271624 214299746 /nfs/dbraw/zinc/29/97/46/214299746.db2.gz FUYRNMLVVMHVHB-GORDUTHDSA-N 0 0 348.402 4.119 50 0 EIAARN Cc1cc(N(C)Cc2nncn2C(C)C)nc2cc(Cl)ccc12 ZINC000055282914 214301490 /nfs/dbraw/zinc/30/14/90/214301490.db2.gz CBIYWMPGEGNHBD-UHFFFAOYSA-N 0 0 329.835 4.005 50 0 EIAARN CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1c[nH]nc1C1CC1 ZINC000055309238 214305385 /nfs/dbraw/zinc/30/53/85/214305385.db2.gz QSYHQEIFJWGWKM-HXUWFJFHSA-N 0 0 348.450 4.164 50 0 EIAARN Cc1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)nn1C(C)(C)C ZINC000055364642 214312985 /nfs/dbraw/zinc/31/29/85/214312985.db2.gz LEGKBXSHVBWCRW-SFHVURJKSA-N 0 0 340.471 4.099 50 0 EIAARN CC(C)CN(Cc1cnn(C)c1)Cc1nc2ccccc2n1C(C)C ZINC000055386224 214315271 /nfs/dbraw/zinc/31/52/71/214315271.db2.gz NKWOMWHTUMYOQT-UHFFFAOYSA-N 0 0 339.487 4.009 50 0 EIAARN CCCCc1ccc(C(=O)Nc2c(C)cnn2[C@@H](C)C2CC2)nc1 ZINC000055384722 214315539 /nfs/dbraw/zinc/31/55/39/214315539.db2.gz JXRNODMGQSGIGC-AWEZNQCLSA-N 0 0 326.444 4.152 50 0 EIAARN O=C(/C=C/c1cccc2cccnc12)NCCc1c[nH]c2ccccc12 ZINC000055355444 214310147 /nfs/dbraw/zinc/31/01/47/214310147.db2.gz ZVTPRNRVOCJJDZ-ZHACJKMWSA-N 0 0 341.414 4.088 50 0 EIAARN Cc1occc1CN(C)C(=O)c1cccnc1SC1CCCC1 ZINC000055474980 214325574 /nfs/dbraw/zinc/32/55/74/214325574.db2.gz VYSDPEKRXMJOGI-UHFFFAOYSA-N 0 0 330.453 4.290 50 0 EIAARN O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1c1ccccn1 ZINC000055523615 214327900 /nfs/dbraw/zinc/32/79/00/214327900.db2.gz ISJXTXQGXVMNOI-GOSISDBHSA-N 0 0 349.459 4.106 50 0 EIAARN C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(OCc2ccccn2)c1 ZINC000055645331 214335070 /nfs/dbraw/zinc/33/50/70/214335070.db2.gz VRRHRNTYPDYXHZ-IAGOWNOFSA-N 0 0 336.435 4.194 50 0 EIAARN CC[C@H](C(=O)Nc1nnc(Cc2ccccc2)s1)c1ccccc1 ZINC000004685282 210247264 /nfs/dbraw/zinc/24/72/64/210247264.db2.gz UBXDHLLNNQNDLQ-INIZCTEOSA-N 0 0 337.448 4.261 50 0 EIAARN O=C(NC[C@H]1CCCOC1)c1cc2sc3ccccc3c2s1 ZINC000055923170 214348861 /nfs/dbraw/zinc/34/88/61/214348861.db2.gz PLXOBHYCEJPEBE-LLVKDONJSA-N 0 0 331.462 4.272 50 0 EIAARN CCCCCC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000055831757 214343999 /nfs/dbraw/zinc/34/39/99/214343999.db2.gz FOJMLPIUFVLNRP-UHFFFAOYSA-N 0 0 342.414 4.275 50 0 EIAARN COc1ccc(NC(C)=O)c(NC(=O)c2cc3ccccc3s2)c1 ZINC000056179745 214364256 /nfs/dbraw/zinc/36/42/56/214364256.db2.gz SZMBPUCRWHIGEI-UHFFFAOYSA-N 0 0 340.404 4.121 50 0 EIAARN Cc1nc2cc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)ccc2[nH]1 ZINC000056309645 214369662 /nfs/dbraw/zinc/36/96/62/214369662.db2.gz PDHQOMJLRIMDAB-NWDGAFQWSA-N 0 0 325.334 4.179 50 0 EIAARN Cc1cc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)no1 ZINC000056342985 214371957 /nfs/dbraw/zinc/37/19/57/214371957.db2.gz CVKMZOZGCKOFSG-UHFFFAOYSA-N 0 0 340.210 4.486 50 0 EIAARN O=C(c1[nH]c2ccccc2c1Cl)N1CCC[C@H]1c1ccncc1 ZINC000056403362 214373747 /nfs/dbraw/zinc/37/37/47/214373747.db2.gz ZGWZXHSELGPTKF-HNNXBMFYSA-N 0 0 325.799 4.194 50 0 EIAARN COc1ccc2c(c1C)CCC/C2=C\CC1(C)C(=O)CCCC1=O ZINC000097922831 219060128 /nfs/dbraw/zinc/06/01/28/219060128.db2.gz NDCANGKWDRPSJD-NTCAYCPXSA-N 0 0 326.436 4.442 50 0 EIAARN Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000056771209 214387580 /nfs/dbraw/zinc/38/75/80/214387580.db2.gz CXGZNKKMPTUPET-JXFKEZNVSA-N 0 0 338.451 4.178 50 0 EIAARN Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000056771210 214387829 /nfs/dbraw/zinc/38/78/29/214387829.db2.gz CXGZNKKMPTUPET-OXJNMPFZSA-N 0 0 338.451 4.178 50 0 EIAARN CCCCN(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000056765067 214387890 /nfs/dbraw/zinc/38/78/90/214387890.db2.gz PBINZKPYQFGHBY-UHFFFAOYSA-N 0 0 349.818 4.449 50 0 EIAARN Cc1c2cccc(Cl)c2oc1C(=O)N(C)CCc1ccccn1 ZINC000057027844 214401863 /nfs/dbraw/zinc/40/18/63/214401863.db2.gz DZCZHVGNTFHPQX-UHFFFAOYSA-N 0 0 328.799 4.104 50 0 EIAARN COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1F ZINC000057412710 214426562 /nfs/dbraw/zinc/42/65/62/214426562.db2.gz MEGVXYDJYBLNFR-UHFFFAOYSA-N 0 0 345.761 4.130 50 0 EIAARN Cc1ccc(C)c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000057477000 214431468 /nfs/dbraw/zinc/43/14/68/214431468.db2.gz APZKPFWLJBDSHY-UHFFFAOYSA-N 0 0 342.782 4.364 50 0 EIAARN Cc1ccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1 ZINC000004675689 210242704 /nfs/dbraw/zinc/24/27/04/210242704.db2.gz QCRQFBKWENHFFW-UHFFFAOYSA-N 0 0 337.448 4.168 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)OCCC(C)C)c(Br)c1 ZINC000057994324 214468297 /nfs/dbraw/zinc/46/82/97/214468297.db2.gz BTYAUUHUUDYHDO-LBPRGKRZSA-N 0 0 328.250 4.147 50 0 EIAARN O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1ccc(SC(F)F)cc1 ZINC000058031361 214473770 /nfs/dbraw/zinc/47/37/70/214473770.db2.gz RHMDPWYWFIDUNR-CYBMUJFWSA-N 0 0 348.374 4.066 50 0 EIAARN COCc1cccc(CNC(=O)CCc2ccc(C(C)C)cc2)c1 ZINC000058099667 214478211 /nfs/dbraw/zinc/47/82/11/214478211.db2.gz WWCVYYMMYRRSFT-UHFFFAOYSA-N 0 0 325.452 4.205 50 0 EIAARN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cc(C)ccc1C ZINC000058165885 214489226 /nfs/dbraw/zinc/48/92/26/214489226.db2.gz ZEVILIYKLAZPHN-AWEZNQCLSA-N 0 0 343.448 4.209 50 0 EIAARN CCCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000004659847 210240426 /nfs/dbraw/zinc/24/04/26/210240426.db2.gz BBRKTLCSCMIZCW-UHFFFAOYSA-N 0 0 348.782 4.135 50 0 EIAARN Cc1noc(C)c1[C@@H](c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000004656170 210239067 /nfs/dbraw/zinc/23/90/67/210239067.db2.gz ZEKHPEYYOIKDQJ-LJQANCHMSA-N 0 0 341.432 4.163 50 0 EIAARN CC(C)c1noc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000058313016 214541864 /nfs/dbraw/zinc/54/18/64/214541864.db2.gz NOTKXMXBXNPOLF-UHFFFAOYSA-N 0 0 325.343 4.251 50 0 EIAARN C[C@H](CCc1ccco1)NC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000058357658 214561519 /nfs/dbraw/zinc/56/15/19/214561519.db2.gz GDLVQUKWBZGGJW-CQSZACIVSA-N 0 0 336.435 4.391 50 0 EIAARN O=c1[nH]c2ccccc2nc1SCc1cc(F)c(F)cc1Cl ZINC000004632146 210235802 /nfs/dbraw/zinc/23/58/02/210235802.db2.gz QDDVDHKCDOHTQI-UHFFFAOYSA-N 0 0 338.766 4.147 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000058825852 214605487 /nfs/dbraw/zinc/60/54/87/214605487.db2.gz HOUIEKIZTAJHOB-UHFFFAOYSA-N 0 0 328.199 4.262 50 0 EIAARN Cc1cccc(-n2c(/C=C/c3ccco3)nc3ccccc3c2=O)c1 ZINC000004615215 210232241 /nfs/dbraw/zinc/23/22/41/210232241.db2.gz BVPNDFWJALSJJZ-VAWYXSNFSA-N 0 0 328.371 4.458 50 0 EIAARN Cc1nn(C)c(C)c1/C=C\C(=O)Oc1cccc(Oc2ccccc2)c1 ZINC000098042474 219073144 /nfs/dbraw/zinc/07/31/44/219073144.db2.gz AFSSRHSTQBDQHW-SEYXRHQNSA-N 0 0 348.402 4.448 50 0 EIAARN Cn1cc(-c2nc(CSC/C=C\c3ccccc3)cs2)cn1 ZINC000098052648 219073719 /nfs/dbraw/zinc/07/37/19/219073719.db2.gz KYZZBVTYHXUHEG-YVMONPNESA-N 0 0 327.478 4.490 50 0 EIAARN CCOc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004611881 210231684 /nfs/dbraw/zinc/23/16/84/210231684.db2.gz IIQRMGJNIGQZFS-LFPRZYRFSA-N 0 0 327.468 4.420 50 0 EIAARN CCc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1 ZINC000169775608 529690507 /nfs/dbraw/zinc/69/05/07/529690507.db2.gz MFVVGKDKUKIUKV-UHFFFAOYSA-N 0 0 343.390 4.500 50 0 EIAARN O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(C(F)(F)F)c1 ZINC000004588835 210227774 /nfs/dbraw/zinc/22/77/74/210227774.db2.gz SYFULDHAQSLYQB-ZROIWOOFSA-N 0 0 335.256 4.189 50 0 EIAARN CCOC(=O)c1sc(-c2cccc(O)c2)nc1-c1ccccc1 ZINC000098071531 219078014 /nfs/dbraw/zinc/07/80/14/219078014.db2.gz ZMYKMUQGUIPLDP-UHFFFAOYSA-N 0 0 325.389 4.359 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccccc1OCc1ccccc1 ZINC000049549776 214017938 /nfs/dbraw/zinc/01/79/38/214017938.db2.gz WJGYVOLMUGEJFO-MRXNPFEDSA-N 0 0 333.391 4.123 50 0 EIAARN Cc1nn(C)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000049547978 214017989 /nfs/dbraw/zinc/01/79/89/214017989.db2.gz LICVOMVNZWXNST-ZDUSSCGKSA-N 0 0 342.251 4.460 50 0 EIAARN COc1cccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 ZINC000004588289 210227692 /nfs/dbraw/zinc/22/76/92/210227692.db2.gz YPVPTAJKRQHDEA-AQTBWJFISA-N 0 0 335.403 4.337 50 0 EIAARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000004588852 210227723 /nfs/dbraw/zinc/22/77/23/210227723.db2.gz NBMXOTSWUFVVAR-AUWJEWJLSA-N 0 0 336.149 4.477 50 0 EIAARN COc1ccc(C2=N/C(=C\c3cccc(Cl)c3Cl)C(=O)O2)cc1 ZINC000004589793 210227618 /nfs/dbraw/zinc/22/76/18/210227618.db2.gz GXRMAJPCKWOMCV-ZROIWOOFSA-N 0 0 348.185 4.347 50 0 EIAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000004585373 210227643 /nfs/dbraw/zinc/22/76/43/210227643.db2.gz YKWMMQVGXMUSPZ-UHFFFAOYSA-N 0 0 349.434 4.069 50 0 EIAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2Cc1ccccc1 ZINC000049546952 214016548 /nfs/dbraw/zinc/01/65/48/214016548.db2.gz KVWYQQULIGCKPG-INIZCTEOSA-N 0 0 333.391 4.064 50 0 EIAARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccsc1)SCC(=O)N2 ZINC000049545108 214016208 /nfs/dbraw/zinc/01/62/08/214016208.db2.gz KUFCURUBYWKYLB-HNNXBMFYSA-N 0 0 342.449 4.061 50 0 EIAARN CC(C)n1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3ccccc3n2)cn1 ZINC000063855425 214771253 /nfs/dbraw/zinc/77/12/53/214771253.db2.gz VTRSBXDRLXSNQB-HNNXBMFYSA-N 0 0 348.450 4.304 50 0 EIAARN O=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1cccnc1 ZINC000060416407 214636583 /nfs/dbraw/zinc/63/65/83/214636583.db2.gz GXDLODMILUPWOG-UHFFFAOYSA-N 0 0 334.394 4.106 50 0 EIAARN CC(C)c1ccc(-c2noc(CSC(=S)N3CCCC3)n2)cc1 ZINC000060697568 214645500 /nfs/dbraw/zinc/64/55/00/214645500.db2.gz BDZCGRDJHUSPLP-UHFFFAOYSA-N 0 0 347.509 4.474 50 0 EIAARN Cc1sc(NC(=O)c2cc(Cl)sc2Cl)c(C(N)=O)c1C ZINC000004570396 210223412 /nfs/dbraw/zinc/22/34/12/210223412.db2.gz AMKXLICEIABVQY-UHFFFAOYSA-N 0 0 349.264 4.084 50 0 EIAARN Cc1cccc(-c2nc(CCNC(=O)Cc3ccccc3)cs2)c1 ZINC000004570823 210223090 /nfs/dbraw/zinc/22/30/90/210223090.db2.gz VQCBOPGDABNHFA-UHFFFAOYSA-N 0 0 336.460 4.020 50 0 EIAARN O=C(c1nc(-c2ccccc2)oc1C1CC1)N1CCOc2ccccc21 ZINC000098113369 219084033 /nfs/dbraw/zinc/08/40/33/219084033.db2.gz GHCRUFOJTXFMJU-UHFFFAOYSA-N 0 0 346.386 4.258 50 0 EIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc4cc[nH]c4c3)c12 ZINC000061721962 214676145 /nfs/dbraw/zinc/67/61/45/214676145.db2.gz AXCQZAPSQTWJCF-UHFFFAOYSA-N 0 0 347.422 4.134 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1cc(Br)ccc1F ZINC000004542202 210218300 /nfs/dbraw/zinc/21/83/00/210218300.db2.gz QGGZNRMXDDSWOQ-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN Cc1c(C(=O)OC(C)C)oc2c1C(=O)C[C@H](c1ccccc1F)C2 ZINC000004520073 210212617 /nfs/dbraw/zinc/21/26/17/210212617.db2.gz UENGLNVUJHUYEW-LBPRGKRZSA-N 0 0 330.355 4.205 50 0 EIAARN CC(C)(C)C(=O)C=C1Nc2ccccc2O[C@]1(O)CC(=O)C(C)(C)C ZINC000100122018 219091476 /nfs/dbraw/zinc/09/14/76/219091476.db2.gz CGQTWEVSBYOEHG-TUOAVLBBSA-N 0 0 345.439 4.333 50 0 EIAARN CSc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 ZINC000004517641 210211649 /nfs/dbraw/zinc/21/16/49/210211649.db2.gz GWKBKABDBZDPFB-UHFFFAOYSA-N 0 0 339.420 4.328 50 0 EIAARN Cc1nn(CCC(=O)Nc2cc(Cl)ccc2C)c(C)c1Cl ZINC000004511318 210209171 /nfs/dbraw/zinc/20/91/71/210209171.db2.gz KNBGNMBFGYFQMF-UHFFFAOYSA-N 0 0 326.227 4.144 50 0 EIAARN Cc1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)no1 ZINC000004503003 210206894 /nfs/dbraw/zinc/20/68/94/210206894.db2.gz KOWDHXINVCLMIO-UHFFFAOYSA-N 0 0 331.224 4.162 50 0 EIAARN O=C1SC(=CNc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000100401447 219098566 /nfs/dbraw/zinc/09/85/66/219098566.db2.gz IJFXARQQNGZHAJ-GDNBJRDFSA-N 0 0 344.823 4.489 50 0 EIAARN FC(F)(F)c1nnc2sc(-c3cc(Cl)ccc3Cl)nn21 ZINC000004487555 210201877 /nfs/dbraw/zinc/20/18/77/210201877.db2.gz ASPJNZLKQDEHMN-UHFFFAOYSA-N 0 0 339.129 4.178 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000004484935 210199459 /nfs/dbraw/zinc/19/94/59/210199459.db2.gz IQKBAQYTPYKTKN-JQWIXIFHSA-N 0 0 337.876 4.003 50 0 EIAARN Cc1ccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)cc1C ZINC000100593075 219103001 /nfs/dbraw/zinc/10/30/01/219103001.db2.gz AWPHKCKJSLGFKN-OAHLLOKOSA-N 0 0 327.811 4.079 50 0 EIAARN CC(=O)Nc1c2ccccc2oc1-c1cc(=O)oc2cc(C)ccc21 ZINC000100650773 219103324 /nfs/dbraw/zinc/10/33/24/219103324.db2.gz WBJUGANEXONTGI-UHFFFAOYSA-N 0 0 333.343 4.473 50 0 biogenic EIAARN Clc1ccc([C@@H]2CC(c3ccccc3)=Nc3nnnn32)c(Cl)c1 ZINC000100679697 219104358 /nfs/dbraw/zinc/10/43/58/219104358.db2.gz SHRVCZLWKCUSJU-HNNXBMFYSA-N 0 0 344.205 4.036 50 0 EIAARN CCCNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064472708 214788017 /nfs/dbraw/zinc/78/80/17/214788017.db2.gz MSEICEWBSASURG-UHFFFAOYSA-N 0 0 328.412 4.485 50 0 EIAARN OCc1nc2ccccc2n1CCCOc1cccc2ccccc21 ZINC000004385612 210185184 /nfs/dbraw/zinc/18/51/84/210185184.db2.gz OVASZRWNZSLBQK-UHFFFAOYSA-N 0 0 332.403 4.151 50 0 EIAARN CCN1c2ccc(Br)cc2[C@@H](Cc2cccs2)C1=O ZINC000101014245 219113525 /nfs/dbraw/zinc/11/35/25/219113525.db2.gz OJTQQQPCIYDRKQ-CYBMUJFWSA-N 0 0 336.254 4.203 50 0 EIAARN Cc1ccccc1Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn21 ZINC000064791003 214804237 /nfs/dbraw/zinc/80/42/37/214804237.db2.gz FCAUFJMIBCEFMN-UHFFFAOYSA-N 0 0 344.422 4.362 50 0 EIAARN O=C1[C@@H]2[C@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000101137295 219117406 /nfs/dbraw/zinc/11/74/06/219117406.db2.gz GYXYSDLSMHXYGV-XMTFNYHQSA-N 0 0 341.838 4.356 50 0 EIAARN CSc1ccccc1CNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004364655 210180094 /nfs/dbraw/zinc/18/00/94/210180094.db2.gz WPXRUUMUUGRZGQ-UHFFFAOYSA-N 0 0 330.497 4.177 50 0 EIAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(C)=O ZINC000004341983 210176144 /nfs/dbraw/zinc/17/61/44/210176144.db2.gz ZSUWGICMVSFWTQ-UHFFFAOYSA-N 0 0 338.363 4.042 50 0 EIAARN CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1cccc2ccccc21 ZINC000101348367 219123410 /nfs/dbraw/zinc/12/34/10/219123410.db2.gz IATZVCSONYEVMW-IBGZPJMESA-N 0 0 328.371 4.061 50 0 EIAARN CCn1cc(CCNC(=O)Nc2cc(C)cc(C)c2)c2cccnc21 ZINC000065156279 214834267 /nfs/dbraw/zinc/83/42/67/214834267.db2.gz JFCPLGFLCQPNQL-UHFFFAOYSA-N 0 0 336.439 4.037 50 0 EIAARN COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)cc3)nc21 ZINC000004330785 210173713 /nfs/dbraw/zinc/17/37/13/210173713.db2.gz VMLNFRXBZLLWDR-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN CCc1cccc(NC(=O)N2CCc3cn(C)c4cccc(c34)C2)c1 ZINC000065148971 214831926 /nfs/dbraw/zinc/83/19/26/214831926.db2.gz JKNPWOCYRRPAJE-UHFFFAOYSA-N 0 0 333.435 4.331 50 0 EIAARN COc1ccc2oc(C(=O)OCCOc3ccc(C)cc3)c(C)c2c1 ZINC000004319072 210169368 /nfs/dbraw/zinc/16/93/68/210169368.db2.gz SLKUZRHTHPZUCL-UHFFFAOYSA-N 0 0 340.375 4.294 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1cccc(Cl)c1C ZINC000004316158 210169028 /nfs/dbraw/zinc/16/90/28/210169028.db2.gz IDBCLQVZEIYILR-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CC1CCC(N(C)C(=O)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000048355370 213930134 /nfs/dbraw/zinc/93/01/34/213930134.db2.gz 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210147987 /nfs/dbraw/zinc/14/79/87/210147987.db2.gz ZQVUDZIQLLWMJL-UHFFFAOYSA-N 0 0 335.588 4.230 50 0 EIAARN C[C@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(F)c(F)c1 ZINC000048150215 213890911 /nfs/dbraw/zinc/89/09/11/213890911.db2.gz QRSBZSXUKYOVHO-LBPRGKRZSA-N 0 0 342.349 4.033 50 0 EIAARN Cc1nn(C)c(C)c1-c1ccnc(N[C@H](C)c2ccc3[nH]ccc3c2)n1 ZINC000048134953 213889510 /nfs/dbraw/zinc/88/95/10/213889510.db2.gz NUNUSKBCFWZLFQ-GFCCVEGCSA-N 0 0 346.438 4.148 50 0 EIAARN CCN(C(=O)c1ccc2ccccc2c1OC(C)=O)c1ccccc1 ZINC000004211624 210145761 /nfs/dbraw/zinc/14/57/61/210145761.db2.gz XKWFQYZURYBXIV-UHFFFAOYSA-N 0 0 333.387 4.432 50 0 EIAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c1 ZINC000004176183 210140169 /nfs/dbraw/zinc/14/01/69/210140169.db2.gz YEUDKDSAWRUDTA-UHFFFAOYSA-N 0 0 329.469 4.221 50 0 EIAARN CNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000065478270 214926953 /nfs/dbraw/zinc/92/69/53/214926953.db2.gz IRPGTMHVXBQSGK-VAWYXSNFSA-N 0 0 343.386 4.045 50 0 EIAARN CCn1ccc2cc(NC(=O)c3ccc4c(c3)nc(C)n4C)ccc21 ZINC000065492838 214931804 /nfs/dbraw/zinc/93/18/04/214931804.db2.gz CNPMGODMFUJMEX-UHFFFAOYSA-N 0 0 332.407 4.109 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Nc1cc(-c2nnco2)ccc1C ZINC000047320773 213842899 /nfs/dbraw/zinc/84/28/99/213842899.db2.gz MEYVEHHBDDCCGC-UHFFFAOYSA-N 0 0 333.347 4.352 50 0 EIAARN Cc1cc2cc(CNC(=O)COc3ccc4ccccc4c3)ccc2[nH]1 ZINC000004138092 210129372 /nfs/dbraw/zinc/12/93/72/210129372.db2.gz JCBBGTPVTSRODG-UHFFFAOYSA-N 0 0 344.414 4.325 50 0 EIAARN O=C(n1c2ccccc2nc1Cc1ccccc1)N1CCCCCC1 ZINC000004136542 210129168 /nfs/dbraw/zinc/12/91/68/210129168.db2.gz VJWIPWNYNSKZMP-UHFFFAOYSA-N 0 0 333.435 4.471 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCN=C1SCc1cccc(F)c1 ZINC000004119876 210125280 /nfs/dbraw/zinc/12/52/80/210125280.db2.gz MVJHSZZPLRYZFQ-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN Cc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1 ZINC000004120057 210125378 /nfs/dbraw/zinc/12/53/78/210125378.db2.gz MZPIRWQOIYWMJO-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 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O=C(CCc1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000004107394 210122513 /nfs/dbraw/zinc/12/25/13/210122513.db2.gz UAAGRYJYIMQKAI-UHFFFAOYSA-N 0 0 347.418 4.187 50 0 EIAARN O=C(Nc1nnc(-c2ccco2)o1)c1cccc(Oc2ccccc2)c1 ZINC000004107306 210121813 /nfs/dbraw/zinc/12/18/13/210121813.db2.gz SGYTZZQYKDRNSX-UHFFFAOYSA-N 0 0 347.330 4.374 50 0 EIAARN CC(C)Sc1nc2c(c(=O)n1CCc1ccccc1)S[C@H](C)C2 ZINC000004108126 210121856 /nfs/dbraw/zinc/12/18/56/210121856.db2.gz YQLRGSDCFZFTHG-CYBMUJFWSA-N 0 0 346.521 4.023 50 0 EIAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(=O)c2ccccc2o1 ZINC000004077630 210114599 /nfs/dbraw/zinc/11/45/99/210114599.db2.gz YVRZDSDSMGGGSL-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN CC(=O)c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 ZINC000004070030 210111280 /nfs/dbraw/zinc/11/12/80/210111280.db2.gz UAIIGCAMIDBYSF-UHFFFAOYSA-N 0 0 336.416 4.194 50 0 EIAARN Cc1c(C(=O)C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)c2ccccc2n1C ZINC000004062507 210110757 /nfs/dbraw/zinc/11/07/57/210110757.db2.gz RVCJYDXUZIEUKO-ZFWWWQNUSA-N 0 0 340.467 4.000 50 0 EIAARN Cc1c(C(=O)C(=O)Nc2ccc(C(C)C)cc2)c2ccccc2n1C ZINC000004062603 210110590 /nfs/dbraw/zinc/11/05/90/210110590.db2.gz RPYYOQIVKFEOBS-UHFFFAOYSA-N 0 0 334.419 4.432 50 0 EIAARN Cc1cc2cc(CNC(=O)c3c(F)cccc3Cl)ccc2n1C ZINC000004061517 210110095 /nfs/dbraw/zinc/11/00/95/210110095.db2.gz WHUPFKKIDRXTBF-UHFFFAOYSA-N 0 0 330.790 4.209 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCCC(C)C)n1 ZINC000004050113 210107001 /nfs/dbraw/zinc/10/70/01/210107001.db2.gz YWRIINJIYUHCPD-UHFFFAOYSA-N 0 0 347.480 4.265 50 0 EIAARN CC[C@H](C)Oc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C ZINC000004050119 210107947 /nfs/dbraw/zinc/10/79/47/210107947.db2.gz CFJQVOPJMUWCBQ-HNNXBMFYSA-N 0 0 333.453 4.017 50 0 EIAARN CCCCCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C ZINC000004050110 210108008 /nfs/dbraw/zinc/10/80/08/210108008.db2.gz QVHZGXOJMMPXRN-UHFFFAOYSA-N 0 0 347.480 4.409 50 0 EIAARN Cc1nn(C(=O)OC(C)(C)C)c2cnc(OCc3ccccc3)cc12 ZINC000066055020 215004909 /nfs/dbraw/zinc/00/49/09/215004909.db2.gz 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CCCCSc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000003668664 210072578 /nfs/dbraw/zinc/07/25/78/210072578.db2.gz WVFOHLNVTVGIKM-UHFFFAOYSA-N 0 0 346.477 4.140 50 0 EIAARN CCn1cc(CC[C@H](C)NC(=O)c2cccs2)c2ccccc21 ZINC000003765566 210073258 /nfs/dbraw/zinc/07/32/58/210073258.db2.gz VGEIUULANVASPX-AWEZNQCLSA-N 0 0 326.465 4.474 50 0 EIAARN COc1ccncc1NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000066356498 215035759 /nfs/dbraw/zinc/03/57/59/215035759.db2.gz UUJBBKCROARTND-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN CCCC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1 ZINC000003647284 210071012 /nfs/dbraw/zinc/07/10/12/210071012.db2.gz IYDMCAIHPVAOCX-UHFFFAOYSA-N 0 0 327.409 4.271 50 0 aggregator EIAARN CCc1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 ZINC000003607532 210064593 /nfs/dbraw/zinc/06/45/93/210064593.db2.gz DDHGPLFRAZUCCY-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 ZINC000003615172 210065906 /nfs/dbraw/zinc/06/59/06/210065906.db2.gz FPOBTPVAYQVWCV-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN C[C@H]1CCCCN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003583636 210058318 /nfs/dbraw/zinc/05/83/18/210058318.db2.gz NIANVIXCUXVZMJ-VIFPVBQESA-N 0 0 335.662 4.460 50 0 EIAARN Cc1cs/c(=N/C(=O)c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000102495773 219208209 /nfs/dbraw/zinc/20/82/09/219208209.db2.gz GWXSKTHINUJHAE-HTXNQAPBSA-N 0 0 328.824 4.242 50 0 EIAARN CC(C)OC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000066607030 215058751 /nfs/dbraw/zinc/05/87/51/215058751.db2.gz YITGYQVUDHICDR-UHFFFAOYSA-N 0 0 329.343 4.323 50 0 EIAARN COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC ZINC000003549183 210051570 /nfs/dbraw/zinc/05/15/70/210051570.db2.gz LJARNOAFINUYFH-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000102558266 219210451 /nfs/dbraw/zinc/21/04/51/219210451.db2.gz JFNNVHXBXRIYSL-ACJLOTCBSA-N 0 0 348.431 4.405 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CN1c2ccccc2C[C@H]1C ZINC000003536931 210050461 /nfs/dbraw/zinc/05/04/61/210050461.db2.gz WAZCBQXRSYKZJA-CYBMUJFWSA-N 0 0 344.842 4.047 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000003559909 210055036 /nfs/dbraw/zinc/05/50/36/210055036.db2.gz RTQAZRONXCFDDO-UHFFFAOYSA-N 0 0 339.725 4.047 50 0 EIAARN Cc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 ZINC000003560036 210054591 /nfs/dbraw/zinc/05/45/91/210054591.db2.gz GPYGOXHUMYUNCA-UHFFFAOYSA-N 0 0 348.402 4.079 50 0 EIAARN Cc1nc(NC(=O)c2csc(NCc3ccccc3)n2)sc1C ZINC000044922130 213675926 /nfs/dbraw/zinc/67/59/26/213675926.db2.gz DQVSEWGSQBWELP-UHFFFAOYSA-N 0 0 344.465 4.081 50 0 EIAARN O=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000044911842 213671698 /nfs/dbraw/zinc/67/16/98/213671698.db2.gz QSEOCKROMSNGHM-GOEBONIOSA-N 0 0 344.480 4.309 50 0 EIAARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000102605289 219214296 /nfs/dbraw/zinc/21/42/96/219214296.db2.gz UCKUUTXBBIIZEL-IFXJQAMLSA-N 0 0 346.390 4.245 50 0 EIAARN O=C(Nc1ccon1)c1cc2sccc2n1Cc1ccccc1F ZINC000044893242 213661685 /nfs/dbraw/zinc/66/16/85/213661685.db2.gz BOPPABSSXRPJLH-UHFFFAOYSA-N 0 0 341.367 4.131 50 0 EIAARN CCOc1ccc([C@H](C)NC(=O)c2cccc(F)c2)cc1OCC ZINC000003430349 210037349 /nfs/dbraw/zinc/03/73/49/210037349.db2.gz XQCSTIYLYSSUKX-ZDUSSCGKSA-N 0 0 331.387 4.114 50 0 EIAARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1c(Cl)cccc1Cl ZINC000003397912 210027132 /nfs/dbraw/zinc/02/71/32/210027132.db2.gz JCLGEDITBPVMED-NSHDSACASA-N 0 0 335.234 4.383 50 0 EIAARN CN(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccco1 ZINC000003410844 210031941 /nfs/dbraw/zinc/03/19/41/210031941.db2.gz ZBEHYVVZNMJJGV-LBPRGKRZSA-N 0 0 348.855 4.180 50 0 EIAARN O=C(CNc1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1 ZINC000003413293 210031823 /nfs/dbraw/zinc/03/18/23/210031823.db2.gz VNCHNVXDQIQZCW-UHFFFAOYSA-N 0 0 331.149 4.322 50 0 EIAARN CCOc1ccc2nc(NC(=O)C3(c4ccccc4)CC3)sc2c1 ZINC000003409717 210031379 /nfs/dbraw/zinc/03/13/79/210031379.db2.gz MIZRKKAOAXWGPM-UHFFFAOYSA-N 0 0 338.432 4.365 50 0 EIAARN CCc1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 ZINC000003383687 210023381 /nfs/dbraw/zinc/02/33/81/210023381.db2.gz OOQLMKQWGGXPRW-CYBMUJFWSA-N 0 0 342.460 4.475 50 0 EIAARN OC1CCC(Nc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000003377110 210023050 /nfs/dbraw/zinc/02/30/50/210023050.db2.gz UNJQLRIUYYKBCA-UHFFFAOYSA-N 0 0 325.437 4.074 50 0 EIAARN S=C(NCc1ccccc1)NN(c1ccccc1)c1ccccc1 ZINC000003377716 210022496 /nfs/dbraw/zinc/02/24/96/210022496.db2.gz FDBVRLPKXDJZDR-UHFFFAOYSA-N 0 0 333.460 4.404 50 0 EIAARN CSc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000003373585 210020774 /nfs/dbraw/zinc/02/07/74/210020774.db2.gz HZWXQBAEWQUTCI-UHFFFAOYSA-N 0 0 341.461 4.488 50 0 EIAARN COc1ccccc1[C@@H]1N(Cc2ccc(Cl)cc2)C(=O)C1(F)F ZINC000003366355 210019113 /nfs/dbraw/zinc/01/91/13/210019113.db2.gz YHFMDOAWUTUHEW-HNNXBMFYSA-N 0 0 337.753 4.067 50 0 EIAARN C[C@@H]1CCC[C@H](C)N1Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000003363026 210019002 /nfs/dbraw/zinc/01/90/02/210019002.db2.gz HXBUDUIVMJPDTD-AOOOYVTPSA-N 0 0 345.299 4.392 50 0 EIAARN CC[C@H]1CCc2sc(C(=O)NCc3ccc(OC)cc3)cc2C1 ZINC000003359649 210017760 /nfs/dbraw/zinc/01/77/60/210017760.db2.gz XCHNDSPZKBUROJ-ZDUSSCGKSA-N 0 0 329.465 4.202 50 0 EIAARN O=C(COc1ccc2ccccc2c1)N[C@@H]1CCCc2ccccc21 ZINC000003355592 210017003 /nfs/dbraw/zinc/01/70/03/210017003.db2.gz MNQUXNOBBYVKHS-OAQYLSRUSA-N 0 0 331.415 4.412 50 0 EIAARN Cc1cccc(NC(=O)[C@H](C)Nc2cccc(Br)c2)c1 ZINC000003347850 210014852 /nfs/dbraw/zinc/01/48/52/210014852.db2.gz QMXRSFWMKPBRIC-LBPRGKRZSA-N 0 0 333.229 4.197 50 0 EIAARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000003344249 210013553 /nfs/dbraw/zinc/01/35/53/210013553.db2.gz CYOJLQAMZMCNBD-LBPRGKRZSA-N 0 0 348.418 4.391 50 0 EIAARN Cc1nc2cc(C(=O)Nc3nccs3)ccc2n1-c1ccccc1 ZINC000003343298 210013642 /nfs/dbraw/zinc/01/36/42/210013642.db2.gz UJIOYZRUNVTTAT-UHFFFAOYSA-N 0 0 334.404 4.043 50 0 EIAARN Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)C(=O)[C@@H]2C)cc1 ZINC000003344485 210013421 /nfs/dbraw/zinc/01/34/21/210013421.db2.gz PZJYRTKQLVGCTA-LBPRGKRZSA-N 0 0 346.789 4.145 50 0 EIAARN O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(F)cc1 ZINC000003328498 210007956 /nfs/dbraw/zinc/00/79/56/210007956.db2.gz QKKJJZZQMVRBHM-UHFFFAOYSA-N 0 0 341.407 4.217 50 0 EIAARN O=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1N1CCCC1 ZINC000003340361 210011890 /nfs/dbraw/zinc/01/18/90/210011890.db2.gz GVLXACILWSEMRI-UHFFFAOYSA-N 0 0 348.805 4.097 50 0 EIAARN Cc1cc(C)c(C(=O)COC(=O)C=Cc2ccc(F)cc2)c(C)c1 ZINC000003333080 210010559 /nfs/dbraw/zinc/01/05/59/210010559.db2.gz QQRIRFNRMZMGKU-RMKNXTFCSA-N 0 0 326.367 4.190 50 0 EIAARN O=C(COc1ccccc1F)Nc1cc(Cl)ccc1N1CCCC1 ZINC000003331010 210009055 /nfs/dbraw/zinc/00/90/55/210009055.db2.gz VFXXXOBLJRBHKL-UHFFFAOYSA-N 0 0 348.805 4.097 50 0 EIAARN Cc1ccc(NC(=O)CN(C)C(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000003329790 210008914 /nfs/dbraw/zinc/00/89/14/210008914.db2.gz VEOSPWKMZHZKSA-UHFFFAOYSA-N 0 0 344.499 4.244 50 0 EIAARN CC(C)(C)OC(=O)NCc1cccc2c1CN(Cc1ccccc1)C2 ZINC000067173931 215120152 /nfs/dbraw/zinc/12/01/52/215120152.db2.gz KOJVASDSGCZJSI-UHFFFAOYSA-N 0 0 338.451 4.227 50 0 EIAARN O=C(CN(c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 ZINC000003320246 210005638 /nfs/dbraw/zinc/00/56/38/210005638.db2.gz DQUCQWPXVDWDQW-UHFFFAOYSA-N 0 0 345.398 4.251 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2sccc2C)cc1 ZINC000003315576 210004925 /nfs/dbraw/zinc/00/49/25/210004925.db2.gz DJZBELPXARBKQY-GFCCVEGCSA-N 0 0 331.437 4.366 50 0 EIAARN Cn1c(=O)c2sccc2nc1SCc1c(F)cccc1Cl ZINC000067259727 215129029 /nfs/dbraw/zinc/12/90/29/215129029.db2.gz AHTXMJQSZAXOKE-UHFFFAOYSA-N 0 0 340.832 4.080 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000003296020 210000196 /nfs/dbraw/zinc/00/01/96/210000196.db2.gz FHHHKROOJMEGED-UHFFFAOYSA-N 0 0 339.174 4.026 50 0 EIAARN CCc1ccc(NC(=O)[C@H](C)Nc2ccc(Br)cc2)cc1 ZINC000003298675 209999948 /nfs/dbraw/zinc/99/99/48/209999948.db2.gz XLHMMLIYPAWXKB-LBPRGKRZSA-N 0 0 347.256 4.451 50 0 EIAARN CCOC(=O)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1 ZINC000003290370 209997448 /nfs/dbraw/zinc/99/74/48/209997448.db2.gz JVANMGMRLAHEOD-UHFFFAOYSA-N 0 0 332.812 4.431 50 0 EIAARN O=C(Oc1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 ZINC000003279414 209995917 /nfs/dbraw/zinc/99/59/17/209995917.db2.gz WVNNHMUFJZHMHN-UHFFFAOYSA-N 0 0 332.355 4.153 50 0 EIAARN O=C(C=Cc1ccco1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003263152 209992019 /nfs/dbraw/zinc/99/20/19/209992019.db2.gz OYPZZKKJWVZZGQ-QZMUEMGWSA-N 0 0 332.355 4.460 50 0 EIAARN O=C(c1ccc(C2OCCO2)s1)c1c(Cl)cccc1Cl ZINC000043210440 213567926 /nfs/dbraw/zinc/56/79/26/213567926.db2.gz JYCBJHNTXYUCOF-UHFFFAOYSA-N 0 0 329.204 4.331 50 0 EIAARN O=C(NCc1cccnc1Oc1ccccc1)[C@H]1CCc2ccccc21 ZINC000067446914 215146828 /nfs/dbraw/zinc/14/68/28/215146828.db2.gz LSGGJIMKHNVMPL-FQEVSTJZSA-N 0 0 344.414 4.220 50 0 EIAARN O=C(NCc1cccnc1Oc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000067446913 215146987 /nfs/dbraw/zinc/14/69/87/215146987.db2.gz LSGGJIMKHNVMPL-HXUWFJFHSA-N 0 0 344.414 4.220 50 0 EIAARN CCOC(=O)N(C)c1ccc(NC(=O)N(CC)[C@H](C)C(C)C)cc1 ZINC000067679665 215184687 /nfs/dbraw/zinc/18/46/87/215184687.db2.gz ISKDQJXIFPWLGW-CQSZACIVSA-N 0 0 335.448 4.178 50 0 EIAARN COc1ccc(Cl)cc1-c1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000067712745 215190674 /nfs/dbraw/zinc/19/06/74/215190674.db2.gz HUTYKWYNRITVCC-GXTWGEPZSA-N 0 0 342.826 4.035 50 0 EIAARN COc1cccc(CSc2nnc(Cc3cccc(F)c3)o2)c1 ZINC000067754572 215203272 /nfs/dbraw/zinc/20/32/72/215203272.db2.gz VCLJVIQECDYCCU-UHFFFAOYSA-N 0 0 330.384 4.100 50 0 EIAARN COc1cc(C=O)ccc1OCCOc1cc(C)ccc1C(C)C ZINC000002994692 209951996 /nfs/dbraw/zinc/95/19/96/209951996.db2.gz UZSZTAQBJMKUSE-UHFFFAOYSA-N 0 0 328.408 4.397 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1 ZINC000002951333 209944967 /nfs/dbraw/zinc/94/49/67/209944967.db2.gz QOXBTCGLTFWJCL-GOSISDBHSA-N 0 0 325.408 4.386 50 0 EIAARN Cc1nc([C@H](C)N(C)Cc2ccc(-n3ccnc3)cc2)c(C)s1 ZINC000067803430 215215557 /nfs/dbraw/zinc/21/55/57/215215557.db2.gz IYXIPVVZTIYXLY-ZDUSSCGKSA-N 0 0 326.469 4.139 50 0 EIAARN CCOCCOc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000002885238 209936156 /nfs/dbraw/zinc/93/61/56/209936156.db2.gz VGDIEAZXLQNTRR-HXUWFJFHSA-N 0 0 341.451 4.229 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000042383389 213499755 /nfs/dbraw/zinc/49/97/55/213499755.db2.gz FQMIWLKFBGAPQD-UHFFFAOYSA-N 0 0 329.787 4.012 50 0 EIAARN CC(C)Cc1ncc2c(n1)CN(C(=O)c1cc3ccccc3s1)C2 ZINC000067805565 215217759 /nfs/dbraw/zinc/21/77/59/215217759.db2.gz VARGJJFJSPNLTL-UHFFFAOYSA-N 0 0 337.448 4.046 50 0 EIAARN O=C(C[C@@H]1C=CCC1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000067856794 215232785 /nfs/dbraw/zinc/23/27/85/215232785.db2.gz LHXXLTUZLPRAKV-GOSISDBHSA-N 0 0 349.478 4.063 50 0 EIAARN Cc1ccc(OCCCOc2ccc(C=O)cc2Br)cc1 ZINC000002866748 209929852 /nfs/dbraw/zinc/92/98/52/209929852.db2.gz ZUTNMHMRRGOUHQ-UHFFFAOYSA-N 0 0 349.224 4.418 50 0 EIAARN Cc1ncnc(NCc2cccnc2Oc2ccc(F)cc2F)c1C ZINC000067872941 215237119 /nfs/dbraw/zinc/23/71/19/215237119.db2.gz AEWBFORBOXUITH-UHFFFAOYSA-N 0 0 342.349 4.171 50 0 EIAARN COc1ccc(F)c(CN(C)[C@H](C)c2c(C)n[nH]c2C)c1Cl ZINC000067880057 215239439 /nfs/dbraw/zinc/23/94/39/215239439.db2.gz JHXMJTQXNLWUTF-LLVKDONJSA-N 0 0 325.815 4.021 50 0 EIAARN CCc1ncc2c(n1)CN(c1cc(C)c3ccc(SC)cc3n1)C2 ZINC000067881249 215239817 /nfs/dbraw/zinc/23/98/17/215239817.db2.gz ZOKZHONQPUKXGZ-UHFFFAOYSA-N 0 0 336.464 4.138 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc(F)cc1 ZINC000002838204 209925655 /nfs/dbraw/zinc/92/56/55/209925655.db2.gz TZIKLHQKDSCAAJ-UHFFFAOYSA-N 0 0 325.792 4.219 50 0 EIAARN CCc1ccc([C@H](C)C(=O)Nc2ccccc2-c2nnc(C)o2)cc1 ZINC000067972531 215263744 /nfs/dbraw/zinc/26/37/44/215263744.db2.gz DNFBETULRBGVHA-ZDUSSCGKSA-N 0 0 335.407 4.350 50 0 EIAARN COc1cc(C)c(-c2nc(Cn3cc(C)nc3C)c(C)o2)cc1C ZINC000067946851 215256397 /nfs/dbraw/zinc/25/63/97/215256397.db2.gz CETBRYXEQDSEJQ-UHFFFAOYSA-N 0 0 325.412 4.137 50 0 EIAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000002796381 209916309 /nfs/dbraw/zinc/91/63/09/209916309.db2.gz ZTGCRYFCGOABRX-LBPRGKRZSA-N 0 0 339.361 4.102 50 0 EIAARN O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC[C@H]1c1ccc[nH]1 ZINC000068103016 215277399 /nfs/dbraw/zinc/27/73/99/215277399.db2.gz WLYUBUWOSQPDQG-KRWDZBQOSA-N 0 0 327.815 4.056 50 0 EIAARN O=C(/C=C/c1ccc(Br)cc1)NCCCc1ccccc1 ZINC000002774159 209908069 /nfs/dbraw/zinc/90/80/69/209908069.db2.gz XXRGRPRXPWACHE-JLHYYAGUSA-N 0 0 344.252 4.211 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000002748810 209902341 /nfs/dbraw/zinc/90/23/41/209902341.db2.gz MEJAANYFULFWMK-INIZCTEOSA-N 0 0 338.234 4.467 50 0 EIAARN Cc1c(C(=O)Nc2cccc(C)c2C)nnn1-c1ccc(C)cc1C ZINC000002715827 209895105 /nfs/dbraw/zinc/89/51/05/209895105.db2.gz BDSOLLZEZOLTJB-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN Cc1sc2ncnc(OCCOc3cccc(Cl)c3)c2c1C ZINC000002650399 209884542 /nfs/dbraw/zinc/88/45/42/209884542.db2.gz SGYUMTUHLJFRTK-UHFFFAOYSA-N 0 0 334.828 4.419 50 0 EIAARN c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 ZINC000103562259 219313731 /nfs/dbraw/zinc/31/37/31/219313731.db2.gz ADYNDGBDWNQGKT-CTNGQTDRSA-N 0 0 327.387 4.324 50 0 EIAARN CCOc1cc(C=O)ccc1OCc1cccc(Br)c1 ZINC000002558336 209867481 /nfs/dbraw/zinc/86/74/81/209867481.db2.gz KFFGCOXRVKICFK-UHFFFAOYSA-N 0 0 335.197 4.239 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2ncc[nH]2)c1 ZINC000103966561 219333551 /nfs/dbraw/zinc/33/35/51/219333551.db2.gz KLXIVJCKFNSYIB-UHFFFAOYSA-N 0 0 329.762 4.050 50 0 EIAARN c1ccc(-c2nccc(Sc3nnc(C4CC4)n3C3CC3)n2)cc1 ZINC000068428552 215307968 /nfs/dbraw/zinc/30/79/68/215307968.db2.gz YPFNLJDVNCCLEB-UHFFFAOYSA-N 0 0 335.436 4.099 50 0 EIAARN O=C(COC(=O)c1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000041125367 213421115 /nfs/dbraw/zinc/42/11/15/213421115.db2.gz VWIKPSKQPQAHRH-UHFFFAOYSA-N 0 0 327.138 4.172 50 0 EIAARN COc1ccc(-c2cc(-c3ccccc3)nc(Cl)n2)cc1OC ZINC000002496910 209858320 /nfs/dbraw/zinc/85/83/20/209858320.db2.gz LBINREJTDNMIPH-UHFFFAOYSA-N 0 0 326.783 4.481 50 0 EIAARN CC(C)c1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000002436019 209850878 /nfs/dbraw/zinc/85/08/78/209850878.db2.gz FIYRJZMYQPMPPH-UHFFFAOYSA-N 0 0 335.350 4.429 50 0 EIAARN CCOCCCn1c(-c2cccs2)nc2nc3ccccc3nc21 ZINC000002417846 209848423 /nfs/dbraw/zinc/84/84/23/209848423.db2.gz XMXWPPJRVGICRF-UHFFFAOYSA-N 0 0 338.436 4.135 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2F)s1)c1cccc(Cl)c1 ZINC000002236698 209834491 /nfs/dbraw/zinc/83/44/91/209834491.db2.gz GCQKOPHYAUQACT-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN CCCCN=C1NC(=Cc2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000002179727 209826849 /nfs/dbraw/zinc/82/68/49/209826849.db2.gz SCUACRWOZWCWSR-XDJHFCHBSA-N 0 0 333.435 4.128 50 0 EIAARN CCc1cccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1 ZINC000002160071 209824979 /nfs/dbraw/zinc/82/49/79/209824979.db2.gz ZASXYDHFNHYNJL-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN COc1ccc(-c2nc(SCc3ccc(Cl)s3)n[nH]2)cc1 ZINC000068870982 215340599 /nfs/dbraw/zinc/34/05/99/215340599.db2.gz LBWFDVFWTCLKME-UHFFFAOYSA-N 0 0 337.857 4.488 50 0 EIAARN FC(F)(F)[C@@H]1CCCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000069323112 215377633 /nfs/dbraw/zinc/37/76/33/215377633.db2.gz ADIROIMBGJGWKP-LLVKDONJSA-N 0 0 345.752 4.164 50 0 EIAARN CN(Cc1cccc(Cl)c1Cl)C(=O)CCc1ccccc1O ZINC000069348390 215381867 /nfs/dbraw/zinc/38/18/67/215381867.db2.gz IDBNVWQXQFPZRE-UHFFFAOYSA-N 0 0 338.234 4.290 50 0 EIAARN O=C(Cc1ccc2c(c1)CCC2)N(Cc1ccccc1)c1nccs1 ZINC000069329366 215379637 /nfs/dbraw/zinc/37/96/37/215379637.db2.gz VGAASPANNLNNRV-UHFFFAOYSA-N 0 0 348.471 4.408 50 0 EIAARN O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1cnns1 ZINC000069349978 215383826 /nfs/dbraw/zinc/38/38/26/215383826.db2.gz OHAGWCMEARKTFT-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)NCc2cccc(Cl)c2)cc1 ZINC000069350736 215385369 /nfs/dbraw/zinc/38/53/69/215385369.db2.gz WDWSZAYDZYOOER-CYBMUJFWSA-N 0 0 332.831 4.299 50 0 EIAARN Cc1nccc(C(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)n1 ZINC000069351298 215385958 /nfs/dbraw/zinc/38/59/58/215385958.db2.gz HMJCYXMQCKQGSS-NSHDSACASA-N 0 0 349.356 4.170 50 0 EIAARN O=C(COC(=O)c1cccc2ccccc21)Nc1ccc(Cl)cc1 ZINC000001934077 209807026 /nfs/dbraw/zinc/80/70/26/209807026.db2.gz VKFRWYMBQCOSNZ-UHFFFAOYSA-N 0 0 339.778 4.289 50 0 EIAARN COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@@H](C)C2 ZINC000001929356 209806750 /nfs/dbraw/zinc/80/67/50/209806750.db2.gz CGEMMMSXDPUUCC-LLVKDONJSA-N 0 0 335.469 4.178 50 0 EIAARN C[C@H](c1ccccn1)N(C(=O)c1ccc(Cn2cccc2)cc1)C1CC1 ZINC000069374782 215392468 /nfs/dbraw/zinc/39/24/68/215392468.db2.gz MUTCGHARHTZWCJ-QGZVFWFLSA-N 0 0 345.446 4.297 50 0 EIAARN CCN(Cc1cccc(F)c1)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000040526476 213336434 /nfs/dbraw/zinc/33/64/34/213336434.db2.gz GVVAAUGOZUXQPZ-UHFFFAOYSA-N 0 0 346.402 4.205 50 0 EIAARN Cc1ncc(CN(C)C(=O)/C=C(/c2ccccc2)C(F)(F)F)s1 ZINC000069413934 215401585 /nfs/dbraw/zinc/40/15/85/215401585.db2.gz FMHMWFGWJHOZKA-ZSOIEALJSA-N 0 0 340.370 4.056 50 0 EIAARN O=C(C=C(C1CC1)C1CC1)Nc1ccccc1Sc1nncs1 ZINC000069416721 215405192 /nfs/dbraw/zinc/40/51/92/215405192.db2.gz XAQCEAWFQMDRRQ-UHFFFAOYSA-N 0 0 343.477 4.374 50 0 EIAARN C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000104723621 219405865 /nfs/dbraw/zinc/40/58/65/219405865.db2.gz IGJROBULCVXYHC-RLFYNMQTSA-N 0 0 345.483 4.224 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1 ZINC000001807964 209796714 /nfs/dbraw/zinc/79/67/14/209796714.db2.gz KJACIKNXZSEPIM-UHFFFAOYSA-N 0 0 325.408 4.431 50 0 EIAARN Cc1ccc(-c2nc(S[C@H](C)c3nc(C(C)C)no3)n[nH]2)cc1 ZINC000040496519 213321229 /nfs/dbraw/zinc/32/12/29/213321229.db2.gz PVHDWXMPXCBXAB-LLVKDONJSA-N 0 0 329.429 4.140 50 0 EIAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1cccnc1 ZINC000040497854 213322264 /nfs/dbraw/zinc/32/22/64/213322264.db2.gz KSFUPZCDFSIQEI-LLVKDONJSA-N 0 0 338.238 4.291 50 0 EIAARN CC(C)CCn1c2ccccc2n2c1nc(-c1ccccc1)cc2=O ZINC000040484611 213314925 /nfs/dbraw/zinc/31/49/25/213314925.db2.gz VTSOHJASMMHKGE-UHFFFAOYSA-N 0 0 331.419 4.362 50 0 EIAARN O=C(Cc1cccc2cccnc21)Nc1ccccc1OC(F)F ZINC000040485788 213316377 /nfs/dbraw/zinc/31/63/77/213316377.db2.gz VUMNJFBMOQDQAO-UHFFFAOYSA-N 0 0 328.318 4.017 50 0 EIAARN CCCCOc1ccc(/C=C/C(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000001779896 209793088 /nfs/dbraw/zinc/79/30/88/209793088.db2.gz WWAISUPGFPGOQH-DHZHZOJOSA-N 0 0 345.468 4.492 50 0 EIAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)c1 ZINC000040286835 213289210 /nfs/dbraw/zinc/28/92/10/213289210.db2.gz JFDCWJPOPLGAEP-MRXNPFEDSA-N 0 0 337.354 4.144 50 0 EIAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccccc2)c(OC)c1 ZINC000040287587 213288738 /nfs/dbraw/zinc/28/87/38/213288738.db2.gz ZRMLCKCUJPIWCU-OAHLLOKOSA-N 0 0 349.390 4.013 50 0 EIAARN CC(C)c1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1 ZINC000069519157 215457078 /nfs/dbraw/zinc/45/70/78/215457078.db2.gz QLOBYZHBJABHGC-UHFFFAOYSA-N 0 0 345.446 4.443 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2nc3ccccc3s2)cc1 ZINC000001565273 209760534 /nfs/dbraw/zinc/76/05/34/209760534.db2.gz OLIFTJJUOXIUJG-UHFFFAOYSA-N 0 0 341.392 4.117 50 0 EIAARN CC(C)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1 ZINC000040160085 213277444 /nfs/dbraw/zinc/27/74/44/213277444.db2.gz VBEJXQHYSKWPAL-ZDUSSCGKSA-N 0 0 344.842 4.220 50 0 EIAARN CSc1ccc(CN(C)C(=O)c2ccc(Br)o2)cc1 ZINC000040159571 213276115 /nfs/dbraw/zinc/27/61/15/213276115.db2.gz QFUMNSKRFWAGQN-UHFFFAOYSA-N 0 0 340.242 4.036 50 0 EIAARN CC(C)(C)c1nnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1 ZINC000040156992 213275703 /nfs/dbraw/zinc/27/57/03/213275703.db2.gz JWRZVSDDKRQWAN-UHFFFAOYSA-N 0 0 343.374 4.036 50 0 EIAARN COCCCC(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000040129031 213270385 /nfs/dbraw/zinc/27/03/85/213270385.db2.gz USQLTKPOABNWJA-UHFFFAOYSA-N 0 0 326.421 4.328 50 0 EIAARN CC(C)OCc1cccc(CNC(=O)CCCc2cccs2)c1 ZINC000040122271 213270232 /nfs/dbraw/zinc/27/02/32/213270232.db2.gz FAAGIPRZFYBCLN-UHFFFAOYSA-N 0 0 331.481 4.312 50 0 EIAARN Cc1cc(C)n(-c2cccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2)n1 ZINC000040134059 213271568 /nfs/dbraw/zinc/27/15/68/213271568.db2.gz FHZHDKZPFXEUIW-OAHLLOKOSA-N 0 0 338.238 4.012 50 0 EIAARN Cc1cc(C)n(-c2cccc(NC(=O)[C@]3(C)CC3(Cl)Cl)c2)n1 ZINC000040134058 213270833 /nfs/dbraw/zinc/27/08/33/213270833.db2.gz FHZHDKZPFXEUIW-HNNXBMFYSA-N 0 0 338.238 4.012 50 0 EIAARN O=C(COc1ccccc1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000040117325 213268818 /nfs/dbraw/zinc/26/88/18/213268818.db2.gz ZDAQHIWVYVTXMD-FQEVSTJZSA-N 0 0 327.399 4.252 50 0 EIAARN CC[C@@H](C)Sc1ccc(NC(=O)NCc2ccnc(C)n2)c(C)c1 ZINC000069570566 215480076 /nfs/dbraw/zinc/48/00/76/215480076.db2.gz VMOLHXYCFZTGKI-CYBMUJFWSA-N 0 0 344.484 4.306 50 0 EIAARN CC[C@H](NC(=O)CCOc1ccccc1)c1ccccc1OC(F)F ZINC000040090588 213262547 /nfs/dbraw/zinc/26/25/47/213262547.db2.gz KPEPIMQEKRKRLK-INIZCTEOSA-N 0 0 349.377 4.324 50 0 EIAARN CC[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1OC(F)F ZINC000040090583 213262714 /nfs/dbraw/zinc/26/27/14/213262714.db2.gz HKBIJKGIQYHMFC-OAHLLOKOSA-N 0 0 337.341 4.237 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)N(C)Cc1ccsc1 ZINC000040103636 213264482 /nfs/dbraw/zinc/26/44/82/213264482.db2.gz AXDUGDPOKLFZRK-UHFFFAOYSA-N 0 0 339.258 4.483 50 0 EIAARN CC[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2Br)C1 ZINC000040098503 213263848 /nfs/dbraw/zinc/26/38/48/213263848.db2.gz CPEHRWBMJIRYRB-GFCCVEGCSA-N 0 0 325.250 4.411 50 0 EIAARN CCCCc1oc2ccccc2c1CN(C)C(=O)Nc1nncs1 ZINC000040095160 213263944 /nfs/dbraw/zinc/26/39/44/213263944.db2.gz PAZFKVSBHFQYLR-UHFFFAOYSA-N 0 0 344.440 4.291 50 0 EIAARN COc1cc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc(OC)c1 ZINC000040097694 213263460 /nfs/dbraw/zinc/26/34/60/213263460.db2.gz LRDCLHBMRSWLFX-LBPRGKRZSA-N 0 0 332.375 4.068 50 0 EIAARN CN(Cc1ccccc1Br)C(=O)Nc1cccc(F)c1 ZINC000040095892 213263514 /nfs/dbraw/zinc/26/35/14/213263514.db2.gz PCNGLYPKQGZNIA-UHFFFAOYSA-N 0 0 337.192 4.252 50 0 EIAARN O=C(NCc1ccccc1F)Nc1ccc(Br)cc1F ZINC000040097446 213263278 /nfs/dbraw/zinc/26/32/78/213263278.db2.gz LQHJSQNOQRZLFU-UHFFFAOYSA-N 0 0 341.155 4.049 50 0 EIAARN CCC[C@@H](C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC000040090349 213262966 /nfs/dbraw/zinc/26/29/66/213262966.db2.gz IANUFAUTXFFNAQ-CQSZACIVSA-N 0 0 328.412 4.044 50 0 EIAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)NC1CCC(C)CC1 ZINC000040050034 213255294 /nfs/dbraw/zinc/25/52/94/213255294.db2.gz OMVRVJONNCAXNK-UHFFFAOYSA-N 0 0 345.468 4.075 50 0 EIAARN CCN(C(=O)/C=C/c1sc2ccccc2c1Cl)[C@@H](C)COC ZINC000040071086 213257518 /nfs/dbraw/zinc/25/75/18/213257518.db2.gz AOMAUSCPDIZXGQ-VMPCVLLUSA-N 0 0 337.872 4.451 50 0 EIAARN O=C(Cc1cccc2cccnc21)NCCCSc1ccccc1 ZINC000040034483 213252669 /nfs/dbraw/zinc/25/26/69/213252669.db2.gz IWHPUCDMTKQGPO-UHFFFAOYSA-N 0 0 336.460 4.076 50 0 EIAARN C[C@H](Sc1ccccc1F)C(=O)Nc1cccc2ncccc21 ZINC000040049310 213253720 /nfs/dbraw/zinc/25/37/20/213253720.db2.gz ZURPRKSCXTZXMU-LBPRGKRZSA-N 0 0 326.396 4.493 50 0 EIAARN CC[C@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccc(OC)cc1 ZINC000040012138 213250363 /nfs/dbraw/zinc/25/03/63/213250363.db2.gz AEFWAZPKCOPZCO-KRWDZBQOSA-N 0 0 341.386 4.125 50 0 EIAARN CC[C@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000040005372 213248674 /nfs/dbraw/zinc/24/86/74/213248674.db2.gz CKEADNPENAMQRH-NRFANRHFSA-N 0 0 347.462 4.084 50 0 EIAARN COc1cccc(CCC(=O)Oc2cccc3ccccc32)c1OC ZINC000039976062 213248036 /nfs/dbraw/zinc/24/80/36/213248036.db2.gz AJBGDNBOLLQVQN-UHFFFAOYSA-N 0 0 336.387 4.395 50 0 EIAARN Nc1nc(Nc2ccccc2F)sc1C(=O)c1ccc(Cl)cc1 ZINC000001433038 209749774 /nfs/dbraw/zinc/74/97/74/209749774.db2.gz BTOBGXCSBBXWHS-UHFFFAOYSA-N 0 0 347.802 4.492 50 0 EIAARN CC(C)(NC(=O)Cc1cccc2ccccc21)[C@@H](O)c1ccccc1 ZINC000039248437 213232450 /nfs/dbraw/zinc/23/24/50/213232450.db2.gz WJXDSHWLGMVTSR-NRFANRHFSA-N 0 0 333.431 4.011 50 0 EIAARN O=C(Nc1nnc(-c2cccc(F)c2)s1)Nc1ccc(F)cc1 ZINC000001306902 209725316 /nfs/dbraw/zinc/72/53/16/209725316.db2.gz WNNOHBBNMUOOSY-UHFFFAOYSA-N 0 0 332.335 4.127 50 0 EIAARN O=C(Nc1cccc2ccccc21)c1ccc(Cn2ccnc2)cc1 ZINC000038834090 213228203 /nfs/dbraw/zinc/22/82/03/213228203.db2.gz DPRRHISKSSDAPE-UHFFFAOYSA-N 0 0 327.387 4.337 50 0 EIAARN O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](n2ccnc2)C1 ZINC000069657248 215521240 /nfs/dbraw/zinc/52/12/40/215521240.db2.gz WNSZWASLBICJFV-GOSISDBHSA-N 0 0 331.419 4.027 50 0 EIAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 ZINC000001002012 209699178 /nfs/dbraw/zinc/69/91/78/209699178.db2.gz DSKMNQVYQXWPOT-ZDUSSCGKSA-N 0 0 348.240 4.472 50 0 EIAARN CC[C@@H](C)N1C(=O)S/C(=C\c2ccccc2Br)C1=O ZINC000000981298 209697908 /nfs/dbraw/zinc/69/79/08/209697908.db2.gz HCLQPLZZNDNEBQ-ZPBHHCQCSA-N 0 0 340.242 4.284 50 0 EIAARN O=C(c1cc(Br)ccc1Cl)N1CCc2ccccc21 ZINC000000621013 209684969 /nfs/dbraw/zinc/68/49/69/209684969.db2.gz ABQAZHMSIQEYIG-UHFFFAOYSA-N 0 0 336.616 4.305 50 0 EIAARN COc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000000619420 209683629 /nfs/dbraw/zinc/68/36/29/209683629.db2.gz LNOOFRRAHAPHGU-UHFFFAOYSA-N 0 0 337.242 4.267 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)NCC1(c2cccs2)CC1 ZINC000038593170 213216728 /nfs/dbraw/zinc/21/67/28/213216728.db2.gz MIMFRRKDQMQTRB-UHFFFAOYSA-N 0 0 336.844 4.263 50 0 EIAARN O=C(CSCc1ccc(Br)cc1)NC1CCCCC1 ZINC000000614765 209680396 /nfs/dbraw/zinc/68/03/96/209680396.db2.gz SAQGJVXHHKILLG-UHFFFAOYSA-N 0 0 342.302 4.131 50 0 EIAARN Cc1oc(-c2ccsc2)nc1CC(=O)N(CC(F)(F)F)C(C)C ZINC000069700363 215539601 /nfs/dbraw/zinc/53/96/01/215539601.db2.gz OGHBITVHSPZASZ-UHFFFAOYSA-N 0 0 346.374 4.053 50 0 EIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1 ZINC000000573701 209669609 /nfs/dbraw/zinc/66/96/09/209669609.db2.gz ZFXCDACLUAEDMJ-UHFFFAOYSA-N 0 0 332.403 4.181 50 0 EIAARN O=C(NC1(c2ccc(Br)cc2)CC1)OCc1ccccc1 ZINC000038537771 213213472 /nfs/dbraw/zinc/21/34/72/213213472.db2.gz JEQGBWWBXOGYMZ-UHFFFAOYSA-N 0 0 346.224 4.365 50 0 EIAARN COC(=O)c1cc(Nc2cc(C)ccc2OC)c2cccc(F)c2n1 ZINC000038486941 213210002 /nfs/dbraw/zinc/21/00/02/213210002.db2.gz JMHWRQHMQSHXDF-UHFFFAOYSA-N 0 0 340.354 4.221 50 0 EIAARN CC(C)C(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000000567836 209666674 /nfs/dbraw/zinc/66/66/74/209666674.db2.gz MWNZZRHQQLMCMX-UHFFFAOYSA-N 0 0 331.260 4.229 50 0 EIAARN CCOc1ccccc1C[S@](=O)Cc1ncc(-c2ccccc2)o1 ZINC000069705090 215544412 /nfs/dbraw/zinc/54/44/12/215544412.db2.gz JVMWQAZTMGQRMG-XMMPIXPASA-N 0 0 341.432 4.189 50 0 EIAARN Cc1nn(C(=O)c2cccc(C(F)(F)F)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000553080 209661513 /nfs/dbraw/zinc/66/15/13/209661513.db2.gz ASQQSCCVCDUPNF-IUODEOHRSA-N 0 0 334.341 4.195 50 0 EIAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)Nc3ncnn32)cc1 ZINC000000531684 209650868 /nfs/dbraw/zinc/65/08/68/209650868.db2.gz XORDCRPUQVSDOW-MOPGFXCFSA-N 0 0 334.423 4.132 50 0 EIAARN COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000514293 209642397 /nfs/dbraw/zinc/64/23/97/209642397.db2.gz BEHWGDBNNRAMKA-SNVBAGLBSA-N 0 0 340.206 4.408 50 0 EIAARN Clc1ccc2c(c1)CNc1c(NCc3ccccc3)ncnc1O2 ZINC000000507733 209640353 /nfs/dbraw/zinc/64/03/53/209640353.db2.gz IWPKXXZJCMNOEG-UHFFFAOYSA-N 0 0 338.798 4.460 50 0 EIAARN Cc1ccc(NC(=O)CSc2nnc(C)c3ccccc32)c(C)c1 ZINC000000502089 209637945 /nfs/dbraw/zinc/63/79/45/209637945.db2.gz USWMWXCTVFUUJC-UHFFFAOYSA-N 0 0 337.448 4.286 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000069745094 215566735 /nfs/dbraw/zinc/56/67/35/215566735.db2.gz VRUUMOKVVGEQGT-LBPRGKRZSA-N 0 0 337.379 4.221 50 0 EIAARN Cc1ccccc1CN(Cc1ccccn1)C(=O)/C=C/c1ccncc1 ZINC000069775310 215574763 /nfs/dbraw/zinc/57/47/63/215574763.db2.gz 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/nfs/dbraw/zinc/11/74/31/213117431.db2.gz UAJRPDQBKWOUBY-UHFFFAOYSA-N 0 0 337.467 4.149 50 0 EIAARN CCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 ZINC000000456374 209611677 /nfs/dbraw/zinc/61/16/77/209611677.db2.gz ZIZYOELBFDEORG-UHFFFAOYSA-N 0 0 339.420 4.026 50 0 EIAARN CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000000454092 209610810 /nfs/dbraw/zinc/61/08/10/209610810.db2.gz RYTIFNGSKACZGY-UHFFFAOYSA-N 0 0 333.435 4.330 50 0 EIAARN CC(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 ZINC000000450808 209608019 /nfs/dbraw/zinc/60/80/19/209608019.db2.gz WZENCNNNIVJLDL-UHFFFAOYSA-N 0 0 342.445 4.230 50 0 EIAARN CCc1nc2sc(C(=O)N(C)Cc3ccc(C)o3)c(C)c2c(C)n1 ZINC000036674685 213108583 /nfs/dbraw/zinc/10/85/83/213108583.db2.gz JFEVADJVFAMSHV-UHFFFAOYSA-N 0 0 343.452 4.044 50 0 EIAARN FC(F)(F)Oc1ccccc1NCc1nc(-c2ccsc2)no1 ZINC000036652371 213107114 /nfs/dbraw/zinc/10/71/14/213107114.db2.gz CYHLVALTEYYLJW-UHFFFAOYSA-N 0 0 341.314 4.309 50 0 EIAARN CCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c2ccccc12 ZINC000036636350 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CCCCN(C)C(=O)c1cc(C)nc2onc(-c3ccccc3F)c21 ZINC000036618449 213104162 /nfs/dbraw/zinc/10/41/62/213104162.db2.gz VFDVACGDWXRNGF-UHFFFAOYSA-N 0 0 341.386 4.209 50 0 EIAARN Cc1cc(N)nc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 ZINC000070040683 215672299 /nfs/dbraw/zinc/67/22/99/215672299.db2.gz SRKLRTVMKCCPQD-GOSISDBHSA-N 0 0 335.432 4.084 50 0 EIAARN CC[C@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000036447638 213098456 /nfs/dbraw/zinc/09/84/56/213098456.db2.gz GUCJIVSKSFFESF-DYVFJYSZSA-N 0 0 346.471 4.074 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCc4ccccc43)c12 ZINC000036613718 213101961 /nfs/dbraw/zinc/10/19/61/213101961.db2.gz DZOVLIZGWYQAIM-KRWDZBQOSA-N 0 0 347.418 4.216 50 0 EIAARN O=c1c2ccccc2nc(-c2ccccn2)n1-c1ccc(Cl)cc1 ZINC000000448149 209606663 /nfs/dbraw/zinc/60/66/63/209606663.db2.gz WTGZBRAPNRXHHK-UHFFFAOYSA-N 0 0 333.778 4.101 50 0 EIAARN CCOc1ccccc1CS(=O)(=O)c1ccc2ccccc2c1 ZINC000036393769 213096169 /nfs/dbraw/zinc/09/61/69/213096169.db2.gz HVZVUSKSRLWVBR-UHFFFAOYSA-N 0 0 326.417 4.212 50 0 EIAARN Clc1ccc(Cl)c(-c2nnc3sc(-c4cccnc4)nn32)c1 ZINC000036364862 213091073 /nfs/dbraw/zinc/09/10/73/213091073.db2.gz LXEMWPHPXQRREP-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN O=C(Nc1ccon1)c1cc2occc2n1Cc1ccccc1Cl ZINC000036358700 213090064 /nfs/dbraw/zinc/09/00/64/213090064.db2.gz WKVOKOKBNZDPBV-UHFFFAOYSA-N 0 0 341.754 4.176 50 0 EIAARN COc1ccc(-c2nnsc2C(=O)NC2CCCCCCC2)cc1 ZINC000036359238 213090124 /nfs/dbraw/zinc/09/01/24/213090124.db2.gz VISDASSFOYWGCL-UHFFFAOYSA-N 0 0 345.468 4.056 50 0 EIAARN O=C1C[C@H](c2cccc(O)c2)c2ncn(-c3cccc(Cl)c3)c2N1 ZINC000036358103 213089039 /nfs/dbraw/zinc/08/90/39/213089039.db2.gz KZPGPCYSZNXULA-OAHLLOKOSA-N 0 0 339.782 4.355 50 0 EIAARN COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(F)cc2)cc1 ZINC000036357806 213088415 /nfs/dbraw/zinc/08/84/15/213088415.db2.gz OVQGLQGZOCEVRN-INIZCTEOSA-N 0 0 337.354 4.144 50 0 EIAARN CCOc1cc(/C=C/C(=O)NC(C)(C)CC)ccc1OC(F)F ZINC000036259288 213079595 /nfs/dbraw/zinc/07/95/95/213079595.db2.gz 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/nfs/dbraw/zinc/06/93/42/213069342.db2.gz MMJYQUXPKLCHAG-UHFFFAOYSA-N 0 0 346.496 4.488 50 0 EIAARN CCC(=O)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(C)C ZINC000036105257 213069000 /nfs/dbraw/zinc/06/90/00/213069000.db2.gz WWPIZWOOQZDRKA-UHFFFAOYSA-N 0 0 346.496 4.486 50 0 EIAARN Cc1cccc(OCc2nc(CN(C(=O)C3CC3)C(C)C)cs2)c1 ZINC000036106408 213069025 /nfs/dbraw/zinc/06/90/25/213069025.db2.gz ISABUTUHGFXZMG-UHFFFAOYSA-N 0 0 344.480 4.178 50 0 EIAARN CC(C)CNC(=O)c1csc(COc2ccccc2C(C)C)n1 ZINC000036083950 213060469 /nfs/dbraw/zinc/06/04/69/213060469.db2.gz GVPOKGPQZMSODA-UHFFFAOYSA-N 0 0 332.469 4.231 50 0 EIAARN CCc1nc2c(cnn2-c2ccccc2Cl)c(NCC(C)C)n1 ZINC000035988490 213054143 /nfs/dbraw/zinc/05/41/43/213054143.db2.gz GHPCLBQJIKOWSL-UHFFFAOYSA-N 0 0 329.835 4.099 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035824884 213051006 /nfs/dbraw/zinc/05/10/06/213051006.db2.gz LGWMNYOKMADBBG-UHFFFAOYSA-N 0 0 336.750 4.300 50 0 EIAARN Cc1nc2ccccc2c2c1C[C@@H]([C@@](C)(Cl)Br)O2 ZINC000000436228 209600369 /nfs/dbraw/zinc/60/03/69/209600369.db2.gz HIELOUZGQULWCY-GXTWGEPZSA-N 0 0 326.621 4.197 50 0 EIAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C(C)C)cc2)N1 ZINC000035781007 213049128 /nfs/dbraw/zinc/04/91/28/213049128.db2.gz PYFUFWIRRAVVMB-UXHICEINSA-N 0 0 348.446 4.068 50 0 biogenic EIAARN Cc1cccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)c1 ZINC000035622144 213042589 /nfs/dbraw/zinc/04/25/89/213042589.db2.gz RPPXJYGIOVOIDW-UHFFFAOYSA-N 0 0 333.439 4.242 50 0 EIAARN Cc1ccc(-c2nc3ncccn3c2NCc2ccc(F)cc2)cc1 ZINC000035562406 213038613 /nfs/dbraw/zinc/03/86/13/213038613.db2.gz KKRNCKJNRXIUIM-UHFFFAOYSA-N 0 0 332.382 4.456 50 0 EIAARN Nc1cc(-c2ccc(Br)cc2)nn1CC1CCCCC1 ZINC000000434160 209598976 /nfs/dbraw/zinc/59/89/76/209598976.db2.gz HEPTXKWATVCXEA-UHFFFAOYSA-N 0 0 334.261 4.475 50 0 EIAARN O=C(Nc1cc(F)cc(F)c1)c1ccc(-c2ccc(F)cc2)nc1 ZINC000035514772 213034828 /nfs/dbraw/zinc/03/48/28/213034828.db2.gz FACJNDYREYSYKQ-UHFFFAOYSA-N 0 0 328.293 4.418 50 0 EIAARN CCOc1ccccc1NC(=O)c1c(C)onc1-c1cccc(F)c1 ZINC000035536576 213036411 /nfs/dbraw/zinc/03/64/11/213036411.db2.gz NLPPCSBKIQPKIN-UHFFFAOYSA-N 0 0 340.354 4.440 50 0 EIAARN CCOc1ccc(NC(=O)c2c(C)onc2-c2cccc(F)c2)cc1 ZINC000035536516 213036345 /nfs/dbraw/zinc/03/63/45/213036345.db2.gz ZZXRJMVNGFSFRS-UHFFFAOYSA-N 0 0 340.354 4.440 50 0 EIAARN CCOc1ccc(CN2CCC[C@H]2c2cc(C)no2)cc1OCC ZINC000035511240 213035698 /nfs/dbraw/zinc/03/56/98/213035698.db2.gz FENVMFKDBXXJJT-INIZCTEOSA-N 0 0 330.428 4.118 50 0 EIAARN Cc1nc(-c2cc(NC(=O)c3ccc(Cl)cc3)c(C)s2)no1 ZINC000035510869 213035373 /nfs/dbraw/zinc/03/53/73/213035373.db2.gz ISWJPQJNLSQXLQ-UHFFFAOYSA-N 0 0 333.800 4.321 50 0 EIAARN Cc1ccccc1NC(=O)N(C)CCc1noc(C2CCCCC2)n1 ZINC000035479488 213032381 /nfs/dbraw/zinc/03/23/81/213032381.db2.gz SMCILXKZFPRBRE-UHFFFAOYSA-N 0 0 342.443 4.132 50 0 EIAARN COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000035476539 213031581 /nfs/dbraw/zinc/03/15/81/213031581.db2.gz IWBDVFYFWQCZLU-CQSZACIVSA-N 0 0 348.399 4.043 50 0 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/nfs/dbraw/zinc/58/81/07/209588107.db2.gz VINRRHOFCLUMKM-UHFFFAOYSA-N 0 0 341.480 4.365 50 0 EIAARN COC(=O)c1ccccc1NC(=O)/C=C\c1cccc2ccccc12 ZINC000033291429 212917503 /nfs/dbraw/zinc/91/75/03/212917503.db2.gz GDDJHHRAESBSHU-YPKPFQOOSA-N 0 0 331.371 4.278 50 0 EIAARN COc1ccccc1/C=C\C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000033290820 212917303 /nfs/dbraw/zinc/91/73/03/212917303.db2.gz BFNGBNMJBRKHFT-HJWRWDBZSA-N 0 0 331.799 4.318 50 0 EIAARN O=c1c2cc3cc(Cl)ccc3oc-2nn1-c1ccc(F)cc1F ZINC000033261819 212911339 /nfs/dbraw/zinc/91/13/39/212911339.db2.gz HIAAQGTZDWANOX-UHFFFAOYSA-N 0 0 332.693 4.015 50 0 EIAARN O=C(Nc1cccnc1)c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000033254345 212910916 /nfs/dbraw/zinc/91/09/16/212910916.db2.gz KSMRSHXZLVMEEN-UHFFFAOYSA-N 0 0 334.379 4.042 50 0 EIAARN COc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1O ZINC000033271117 212913731 /nfs/dbraw/zinc/91/37/31/212913731.db2.gz IRLYPDZBCCIRIS-GKCIPKSASA-N 0 0 325.408 4.344 50 0 EIAARN CC(C)c1nc2cc(NC(=O)c3cc(-c4ccco4)on3)ccc2o1 ZINC000033217379 212906992 /nfs/dbraw/zinc/90/69/92/212906992.db2.gz FFNDPGQCICEVKA-UHFFFAOYSA-N 0 0 337.335 4.452 50 0 EIAARN Cc1nc(C)c([C@H](C)N(C)C(=O)Cc2c[nH]c3ccccc23)s1 ZINC000071883135 215919299 /nfs/dbraw/zinc/91/92/99/215919299.db2.gz FCQMZLFBFBXSKF-LBPRGKRZSA-N 0 0 327.453 4.003 50 0 EIAARN C[C@@H](NC(=O)N(C)Cc1ccco1)c1nc(-c2ccccc2)cs1 ZINC000071885981 215922229 /nfs/dbraw/zinc/92/22/29/215922229.db2.gz UBADOVFQUCSBKD-CYBMUJFWSA-N 0 0 341.436 4.306 50 0 EIAARN Cc1ccc(CNC(=O)c2c3ccccc3nnc2-c2ccccc2)o1 ZINC000032953114 212880452 /nfs/dbraw/zinc/88/04/52/212880452.db2.gz AWXFHVOELJBKKX-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN CC[C@H](C)NC(=O)NC(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000032948852 212879255 /nfs/dbraw/zinc/87/92/55/212879255.db2.gz LQOHVUNTZJSZSZ-AWEZNQCLSA-N 0 0 346.421 4.216 50 0 EIAARN O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccccc1Cl ZINC000032930615 212875709 /nfs/dbraw/zinc/87/57/09/212875709.db2.gz OVIKSLANPKMYHR-UHFFFAOYSA-N 0 0 343.732 4.211 50 0 EIAARN Cc1ccc([C@@H](NC(=O)CCC(=O)c2ccc(F)cc2)C2CC2)cc1 ZINC000032865748 212858764 /nfs/dbraw/zinc/85/87/64/212858764.db2.gz JPIPDFXVRSEXKF-OAQYLSRUSA-N 0 0 339.410 4.365 50 0 EIAARN Fc1cccc(C2(c3nnc(-c4ccccc4F)o3)CCOCC2)c1 ZINC000071889776 215927882 /nfs/dbraw/zinc/92/78/82/215927882.db2.gz IQUVGOGSXUNYFA-UHFFFAOYSA-N 0 0 342.345 4.111 50 0 EIAARN Cc1nnc([C@H](C)Nc2ccc(OCc3ccccn3)c(Cl)c2)o1 ZINC000071902614 215944279 /nfs/dbraw/zinc/94/42/79/215944279.db2.gz ORDFKSLCBLLIDU-NSHDSACASA-N 0 0 344.802 4.179 50 0 EIAARN O=C(CSCc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 ZINC000032772641 212839789 /nfs/dbraw/zinc/83/97/89/212839789.db2.gz ZDLKCGKEOLYQTQ-UHFFFAOYSA-N 0 0 338.885 4.157 50 0 EIAARN O=C(NC(c1cccs1)c1cccs1)[C@H]1C[C@@H]1c1cccnc1 ZINC000071915264 215961557 /nfs/dbraw/zinc/96/15/57/215961557.db2.gz AZGHLNJRCXUBQZ-KGLIPLIRSA-N 0 0 340.473 4.214 50 0 EIAARN CCOc1ccc(S(=O)(=O)Oc2ccccc2)c2ccccc12 ZINC000032602201 212815203 /nfs/dbraw/zinc/81/52/03/212815203.db2.gz LPSBCOGTOSASOE-UHFFFAOYSA-N 0 0 328.389 4.006 50 0 EIAARN O=C(Cc1ccccc1O)Nc1cccc(C2SCCS2)c1 ZINC000072075519 216003369 /nfs/dbraw/zinc/00/33/69/216003369.db2.gz WZNUASKSWUKGBN-UHFFFAOYSA-N 0 0 331.462 4.052 50 0 EIAARN CC1CCN(C(=O)c2cccc(NC(=O)CC3CCCC3)c2)CC1 ZINC000072115688 216011323 /nfs/dbraw/zinc/01/13/23/216011323.db2.gz YXFCURHZZWPYAQ-UHFFFAOYSA-N 0 0 328.456 4.078 50 0 EIAARN CCc1cc([C@H](C)Nc2cc(-c3ccccc3)nc3ccnn32)on1 ZINC000072127390 216017804 /nfs/dbraw/zinc/01/78/04/216017804.db2.gz KKOCKBCVQPAVRX-ZDUSSCGKSA-N 0 0 333.395 4.120 50 0 EIAARN COc1ccc(O)cc1CN1CCC(Oc2ccccc2Cl)CC1 ZINC000072145687 216032546 /nfs/dbraw/zinc/03/25/46/216032546.db2.gz OSVCQTROHROCLO-UHFFFAOYSA-N 0 0 347.842 4.098 50 0 EIAARN CC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn21)c1ccncc1 ZINC000072150000 216038378 /nfs/dbraw/zinc/03/83/78/216038378.db2.gz NOERHVAKXDTFKS-QGZVFWFLSA-N 0 0 329.407 4.355 50 0 EIAARN CC(C)n1ccnc1-c1cc(NCc2cccnc2)nc2[nH]ccc21 ZINC000072149580 216036760 /nfs/dbraw/zinc/03/67/60/216036760.db2.gz GUZLZDLTFUPORS-UHFFFAOYSA-N 0 0 332.411 4.014 50 0 EIAARN CN(C)c1nc(Cl)c(CN(C)Cc2cccc3ncccc23)s1 ZINC000072154664 216043565 /nfs/dbraw/zinc/04/35/65/216043565.db2.gz HXRVNQWUOWZMNV-UHFFFAOYSA-N 0 0 346.887 4.043 50 0 EIAARN Cc1cccc(OC2CN(Cc3cnc(C4CCCCC4)nc3)C2)c1 ZINC000072154376 216044533 /nfs/dbraw/zinc/04/45/33/216044533.db2.gz WJDCIFLMYPWWCY-UHFFFAOYSA-N 0 0 337.467 4.096 50 0 EIAARN COc1ccc(-n2cc(-c3ncc[nH]3)c(-c3cccc(F)c3)n2)cc1 ZINC000072159096 216048936 /nfs/dbraw/zinc/04/89/36/216048936.db2.gz XIJZNDYHALSPKU-UHFFFAOYSA-N 0 0 334.354 4.077 50 0 EIAARN O=C(Cn1cnc2ccccc21)Nc1ccccc1-c1ccccc1 ZINC000000411765 209575293 /nfs/dbraw/zinc/57/52/93/209575293.db2.gz RDPMVOKZIGHFMQ-UHFFFAOYSA-N 0 0 327.387 4.342 50 0 EIAARN CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2ccc(C)cc2)cc1 ZINC000031682502 212743239 /nfs/dbraw/zinc/74/32/39/212743239.db2.gz SMPLAGWLHCAGNX-AWEZNQCLSA-N 0 0 327.449 4.167 50 0 EIAARN O[C@H](CNc1ncnc2c3ccccc3oc21)c1ccc(Cl)cc1 ZINC000030859662 212712965 /nfs/dbraw/zinc/71/29/65/212712965.db2.gz JLWVRFKJDRXTEM-CQSZACIVSA-N 0 0 339.782 4.175 50 0 EIAARN CCOc1ccc(CCC(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000072272037 216095678 /nfs/dbraw/zinc/09/56/78/216095678.db2.gz KIFMIZDBLCKRLH-QGZVFWFLSA-N 0 0 344.480 4.228 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)CCOc2ccccc2F)n1 ZINC000072273731 216097544 /nfs/dbraw/zinc/09/75/44/216097544.db2.gz GBQSTICEFVCLHZ-HNNXBMFYSA-N 0 0 348.443 4.113 50 0 EIAARN Cc1ccc(CCC2CCN(C(=O)c3cccc4[nH]ncc43)CC2)cc1 ZINC000072280037 216107705 /nfs/dbraw/zinc/10/77/05/216107705.db2.gz AADAHKDWZKCYEC-UHFFFAOYSA-N 0 0 347.462 4.356 50 0 EIAARN COc1cccc(CN(C)C(=O)c2cccc(Oc3ccncc3)c2)c1 ZINC000072281463 216110089 /nfs/dbraw/zinc/11/00/89/216110089.db2.gz AGHIUPKEFXVOOB-UHFFFAOYSA-N 0 0 348.402 4.155 50 0 EIAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(C)=O ZINC000000403092 209571151 /nfs/dbraw/zinc/57/11/51/209571151.db2.gz RKCVQLUEWCVWTN-UHFFFAOYSA-N 0 0 335.359 4.026 50 0 EIAARN COc1cc(OC)c(NC(=O)c2ccccc2Cl)cc1Cl ZINC000000398600 209568973 /nfs/dbraw/zinc/56/89/73/209568973.db2.gz AONMMOPQFRGWTB-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCC[C@@H](C)NC(=O)c1cc(Br)ccc1Br ZINC000000383794 209562275 /nfs/dbraw/zinc/56/22/75/209562275.db2.gz KBNNMTPIIHXYSM-MRVPVSSYSA-N 0 0 349.066 4.130 50 0 EIAARN Cc1cc(C)c(-n2nnnc2SCc2ccc(F)cc2)c(C)c1 ZINC000000367985 209554469 /nfs/dbraw/zinc/55/44/69/209554469.db2.gz MCVUFTANDIZWBD-UHFFFAOYSA-N 0 0 328.416 4.019 50 0 EIAARN CCCC(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000000365523 209553715 /nfs/dbraw/zinc/55/37/15/209553715.db2.gz XMVYQBKLFKDMRG-UHFFFAOYSA-N 0 0 334.778 4.470 50 0 EIAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000000364665 209553621 /nfs/dbraw/zinc/55/36/21/209553621.db2.gz NVFIZKVNBHDUPA-GFCCVEGCSA-N 0 0 334.213 4.164 50 0 EIAARN O=C(Nc1ccc2c(c1)C(=O)OC2)Nc1ccc(Cl)c(Cl)c1 ZINC000000363738 209551943 /nfs/dbraw/zinc/55/19/43/209551943.db2.gz MVHBHVJYFFPIQU-UHFFFAOYSA-N 0 0 337.162 4.308 50 0 EIAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000351889 209546240 /nfs/dbraw/zinc/54/62/40/209546240.db2.gz ZQIYXRXFRWIRJA-SNVBAGLBSA-N 0 0 327.277 4.251 50 0 EIAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)n2)cc1 ZINC000000351409 209545891 /nfs/dbraw/zinc/54/58/91/209545891.db2.gz VZSSVRAQYMTPHQ-UHFFFAOYSA-N 0 0 327.387 4.065 50 0 EIAARN COc1ccc(C2(C(=O)Nc3ccccc3C)CCCC2)cc1OC ZINC000000315203 209532267 /nfs/dbraw/zinc/53/22/67/209532267.db2.gz FQBYABJJKQMBEQ-UHFFFAOYSA-N 0 0 339.435 4.463 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1Cl ZINC000000313997 209531929 /nfs/dbraw/zinc/53/19/29/209531929.db2.gz GQILNHDSVBHFKF-UHFFFAOYSA-N 0 0 330.815 4.495 50 0 EIAARN CC(=O)Nc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1 ZINC000000311124 209529571 /nfs/dbraw/zinc/52/95/71/209529571.db2.gz NHGDSDMVXMEAQP-UHFFFAOYSA-N 0 0 334.404 4.083 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCCC[C@@H]1c1nccs1 ZINC000072286502 216118196 /nfs/dbraw/zinc/11/81/96/216118196.db2.gz CFJIZSOFFPKXDY-YWPYICTPSA-N 0 0 348.418 4.279 50 0 EIAARN Cc1ccc(C(=O)C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000030477348 212697999 /nfs/dbraw/zinc/69/79/99/212697999.db2.gz SNDPBOGCQYXVSR-LBPRGKRZSA-N 0 0 335.325 4.074 50 0 EIAARN O=C(CCNc1ccccc1)N[C@H](c1cccs1)c1ccccc1 ZINC000030127633 212690904 /nfs/dbraw/zinc/69/09/04/212690904.db2.gz GRXSTYSYWMCNLW-FQEVSTJZSA-N 0 0 336.460 4.456 50 0 EIAARN COc1ccc(CNc2ccc(F)c(Cl)c2)c(OC)c1OC ZINC000000280265 209516176 /nfs/dbraw/zinc/51/61/76/209516176.db2.gz XMYDPYUBBFSDQG-UHFFFAOYSA-N 0 0 325.767 4.117 50 0 EIAARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)c(Cl)c1 ZINC000000272704 209513323 /nfs/dbraw/zinc/51/33/23/209513323.db2.gz QOMCCHPERNDQEI-UHFFFAOYSA-N 0 0 335.791 4.086 50 0 EIAARN Cc1nc(COc2ccc(/C=C/C(=O)N3CCCCC3)cc2)cs1 ZINC000029651502 212676561 /nfs/dbraw/zinc/67/65/61/212676561.db2.gz RAENTFLPDQYLOX-JXMROGBWSA-N 0 0 342.464 4.056 50 0 EIAARN COc1ccccc1OCCn1c2ccccc2nc1C(F)(F)F ZINC000000259700 209506779 /nfs/dbraw/zinc/50/67/79/209506779.db2.gz SWRCXDBUEMPLQN-UHFFFAOYSA-N 0 0 336.313 4.143 50 0 EIAARN CSc1ccsc1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000107128269 219747049 /nfs/dbraw/zinc/74/70/49/219747049.db2.gz WTRCDPOZUHBJOQ-UHFFFAOYSA-N 0 0 332.372 4.074 50 0 EIAARN CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ncccn43)cs2)c1 ZINC000000246682 209501937 /nfs/dbraw/zinc/50/19/37/209501937.db2.gz NEQFXENBGUMDLL-UHFFFAOYSA-N 0 0 349.419 4.107 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)n1 ZINC000072298554 216137107 /nfs/dbraw/zinc/13/71/07/216137107.db2.gz ZZQKGZJAIRXDOU-HNNXBMFYSA-N 0 0 336.407 4.026 50 0 EIAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000000243748 209501545 /nfs/dbraw/zinc/50/15/45/209501545.db2.gz NBLLRMYRDPEQDX-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 biogenic EIAARN CC(C)(NC(=O)CCc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000072305431 216143623 /nfs/dbraw/zinc/14/36/23/216143623.db2.gz YBVWLCNSRFXHMA-UHFFFAOYSA-N 0 0 342.386 4.146 50 0 EIAARN COCc1nc2ccccc2n1CCOc1cccc2ccccc21 ZINC000000246985 209502610 /nfs/dbraw/zinc/50/26/10/209502610.db2.gz ZGBDSBAKPMULGR-UHFFFAOYSA-N 0 0 332.403 4.415 50 0 EIAARN O=C(NCc1ccccc1Cl)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000072328854 216153003 /nfs/dbraw/zinc/15/30/03/216153003.db2.gz WPVMUZUOLOYYGP-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN CSc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1Cl ZINC000072310332 216147486 /nfs/dbraw/zinc/14/74/86/216147486.db2.gz HEKZTMFRRSSJMN-UHFFFAOYSA-N 0 0 343.839 4.500 50 0 EIAARN CCc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2nc1CC ZINC000000217447 209490598 /nfs/dbraw/zinc/49/05/98/209490598.db2.gz YVXQCOUDRHLMED-AWEZNQCLSA-N 0 0 333.435 4.246 50 0 EIAARN O=C1N[C@H](c2ccccc2)Nc2c3cc4c(nc3sc21)CCCC4 ZINC000000202897 209481876 /nfs/dbraw/zinc/48/18/76/209481876.db2.gz JHMVTWZEQJYLKL-QGZVFWFLSA-N 0 0 335.432 4.029 50 0 EIAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc(Cl)cc1)CCC3 ZINC000000207932 209484468 /nfs/dbraw/zinc/48/44/68/209484468.db2.gz DSSZVKQNSQZUPQ-UHFFFAOYSA-N 0 0 328.824 4.252 50 0 EIAARN Cc1nc(-c2ccccc2O)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000072370098 216177277 /nfs/dbraw/zinc/17/72/77/216177277.db2.gz PQFYGHMLAKSBGX-UHFFFAOYSA-N 0 0 334.404 4.072 50 0 EIAARN Cc1ccc(Nc2nc(Cl)nc(NCc3ccccc3)n2)cc1 ZINC000000185821 209472169 /nfs/dbraw/zinc/47/21/69/209472169.db2.gz JRNSQORPHMGSLJ-UHFFFAOYSA-N 0 0 325.803 4.189 50 0 EIAARN COc1cc2c3c(C)nn(Cc4ccccc4)c3nc(C)c2cc1OC ZINC000000187703 209471401 /nfs/dbraw/zinc/47/14/01/209471401.db2.gz LDCYLRMYDDBHPD-UHFFFAOYSA-N 0 0 347.418 4.267 50 0 EIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c(C)c1 ZINC000000190357 209473949 /nfs/dbraw/zinc/47/39/49/209473949.db2.gz XFYSPCOCDKAHOG-UHFFFAOYSA-N 0 0 339.420 4.081 50 0 EIAARN COc1ccc(Cl)cc1C1=N/C(=C/c2ccccc2Cl)C(=O)O1 ZINC000000177663 209466335 /nfs/dbraw/zinc/46/63/35/209466335.db2.gz JPEGVKFHECWWMJ-RIYZIHGNSA-N 0 0 348.185 4.347 50 0 EIAARN COc1ccc2ccccc2c1/C=C1\N=C(c2ccccc2)OC1=O ZINC000000178359 209466190 /nfs/dbraw/zinc/46/61/90/209466190.db2.gz VIJONODJHDRQQT-AQTBWJFISA-N 0 0 329.355 4.193 50 0 EIAARN O=S(=O)(Nc1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000000172751 209463458 /nfs/dbraw/zinc/46/34/58/209463458.db2.gz NWKAAWRLKQJWIP-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN CCOc1cc(C=O)ccc1OCc1ccc(Br)cc1 ZINC000000151821 209454962 /nfs/dbraw/zinc/45/49/62/209454962.db2.gz USTZMMKVTMZRBK-UHFFFAOYSA-N 0 0 335.197 4.239 50 0 EIAARN O=C1NCCCN1c1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129572193 223070735 /nfs/dbraw/zinc/07/07/35/223070735.db2.gz XZNTZBIJSPDRLO-QWHCGFSZSA-N 0 0 341.377 4.139 50 0 EIAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1 ZINC000000150192 209453350 /nfs/dbraw/zinc/45/33/50/209453350.db2.gz LFJUNBRYJGOXMH-UHFFFAOYSA-N 0 0 345.761 4.100 50 0 EIAARN O=C1C[C@@H](c2ccccc2Cl)c2cnn(Cc3ccco3)c2N1 ZINC000072404820 216195845 /nfs/dbraw/zinc/19/58/45/216195845.db2.gz XKPMNVAEBVEZLG-ZDUSSCGKSA-N 0 0 327.771 4.301 50 0 EIAARN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)c3ccccc32)cc1 ZINC000000137129 209444007 /nfs/dbraw/zinc/44/40/07/209444007.db2.gz SXCHFAQGMVSWLH-HZPDHXFCSA-N 0 0 333.435 4.219 50 0 EIAARN Cc1sc2ncnc(SCC(=O)Nc3ccc(F)cc3)c2c1C ZINC000000132265 209440646 /nfs/dbraw/zinc/44/06/46/209440646.db2.gz OBZBLCKOLYWNFB-UHFFFAOYSA-N 0 0 347.440 4.178 50 0 EIAARN O=C(NCc1ccccn1)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000072405706 216197393 /nfs/dbraw/zinc/19/73/93/216197393.db2.gz WOSDKAFCRDZBKU-UHFFFAOYSA-N 0 0 336.338 4.245 50 0 EIAARN CSC1=N[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000000107280 209425051 /nfs/dbraw/zinc/42/50/51/209425051.db2.gz DBMDIRLMQDAWHU-HNNXBMFYSA-N 0 0 343.477 4.024 50 0 EIAARN Cc1nn(C(=O)c2ccc(Cl)c(Cl)c2)c(N)c1-c1ccccc1 ZINC000000106481 209424483 /nfs/dbraw/zinc/42/44/83/209424483.db2.gz VUYHCIDMWXSJRK-UHFFFAOYSA-N 0 0 346.217 4.436 50 0 EIAARN COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(C)=O ZINC000000116981 209431780 /nfs/dbraw/zinc/43/17/80/209431780.db2.gz WQTSRAXMPQVCEN-UHFFFAOYSA-N 0 0 331.437 4.458 50 0 EIAARN COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)C23CCCC3)cc1 ZINC000000111933 209428302 /nfs/dbraw/zinc/42/83/02/209428302.db2.gz KNCCXERJPCMRDH-IBGZPJMESA-N 0 0 337.419 4.352 50 0 biogenic EIAARN COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)C23CCCC3)cc1 ZINC000000111938 209428018 /nfs/dbraw/zinc/42/80/18/209428018.db2.gz KNCCXERJPCMRDH-LJQANCHMSA-N 0 0 337.419 4.352 50 0 biogenic EIAARN CCCc1cc(=O)oc2cc(OC(=O)/C=C/c3cccs3)ccc12 ZINC000000090181 209413230 /nfs/dbraw/zinc/41/32/30/209413230.db2.gz HZQQZBLAZHYQDH-VQHVLOKHSA-N 0 0 340.400 4.426 50 0 EIAARN O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCCC2(C1)CCCCCC2 ZINC000129668003 223079509 /nfs/dbraw/zinc/07/95/09/223079509.db2.gz OAVFWWURBGFQHZ-ROUUACIJSA-N 0 0 334.504 4.090 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)NCCC1=CCCCC1 ZINC000000068706 209399877 /nfs/dbraw/zinc/39/98/77/209399877.db2.gz FDWQHONUMWVKJA-UHFFFAOYSA-N 0 0 328.239 4.379 50 0 EIAARN O=C(NC[C@@H]1OCCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000000068475 209399760 /nfs/dbraw/zinc/39/97/60/209399760.db2.gz FCXSSFDHXPPVLE-INIZCTEOSA-N 0 0 336.218 4.037 50 0 EIAARN Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc12 ZINC000000064049 209397002 /nfs/dbraw/zinc/39/70/02/209397002.db2.gz ZAHIHWZVFPTGJS-RUDMXATFSA-N 0 0 340.762 4.374 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl ZINC000000064212 209396575 /nfs/dbraw/zinc/39/65/75/209396575.db2.gz FDLZPEFISWDPFM-VAWYXSNFSA-N 0 0 329.783 4.169 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000000063650 209396383 /nfs/dbraw/zinc/39/63/83/209396383.db2.gz AOWIVLKTOMGERN-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Fc1ccc(CSc2nnnn2-c2cccc3ccccc32)cc1 ZINC000000060574 209394591 /nfs/dbraw/zinc/39/45/91/209394591.db2.gz LKGTXCLAIXBLPE-UHFFFAOYSA-N 0 0 336.395 4.247 50 0 EIAARN Cc1cccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)c1 ZINC000000055308 209392696 /nfs/dbraw/zinc/39/26/96/209392696.db2.gz MXFZHYRPRANCIP-DHDCSXOGSA-N 0 0 342.192 4.102 50 0 EIAARN O=C(Nc1nnc(CSCc2ccccc2)s1)c1cccs1 ZINC000000052109 209392367 /nfs/dbraw/zinc/39/23/67/209392367.db2.gz USIXONVLLGBTLS-UHFFFAOYSA-N 0 0 347.490 4.285 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1ccccc1 ZINC000000053124 209391528 /nfs/dbraw/zinc/39/15/28/209391528.db2.gz RHGKMOQEQVQATP-UHFFFAOYSA-N 0 0 349.477 4.272 50 0 EIAARN O=C1N[C@H](c2cccs2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000000051790 209390794 /nfs/dbraw/zinc/39/07/94/209390794.db2.gz RWOVYKGCCMDWEU-GFCCVEGCSA-N 0 0 345.474 4.184 50 0 EIAARN Brc1cccc(CSc2nnc(-c3ccco3)o2)c1 ZINC000000051632 209390198 /nfs/dbraw/zinc/39/01/98/209390198.db2.gz UVILBAZLNVPFFD-UHFFFAOYSA-N 0 0 337.198 4.384 50 0 EIAARN CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(OC)cc3)c(O)cc21 ZINC000000049359 209390000 /nfs/dbraw/zinc/39/00/00/209390000.db2.gz OVYSTDDIGQCTPO-UHFFFAOYSA-N 0 0 339.391 4.045 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000042801 209387126 /nfs/dbraw/zinc/38/71/26/209387126.db2.gz LDXWVWBTIBPGSJ-OCCSQVGLSA-N 0 0 341.238 4.175 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000042800 209386702 /nfs/dbraw/zinc/38/67/02/209386702.db2.gz LDXWVWBTIBPGSJ-TZMCWYRMSA-N 0 0 341.238 4.175 50 0 EIAARN Cc1cc(C(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c(C)o1 ZINC000072440307 216234415 /nfs/dbraw/zinc/23/44/15/216234415.db2.gz IVDTULPRUKYIJZ-KRWDZBQOSA-N 0 0 341.386 4.279 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)nn1 ZINC000072446865 216236188 /nfs/dbraw/zinc/23/61/88/216236188.db2.gz RBYDRCRMMBWYDR-UHFFFAOYSA-N 0 0 339.782 4.483 50 0 EIAARN O=C(Cc1ccccc1)[C@@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000072481346 216262005 /nfs/dbraw/zinc/26/20/05/216262005.db2.gz IICOZBZBHUCURZ-QGZVFWFLSA-N 0 0 343.854 4.069 50 0 EIAARN Clc1ccc2nc(COc3ccccc3)c(Br)n2c1 ZINC000027093286 212547043 /nfs/dbraw/zinc/54/70/43/212547043.db2.gz BDVCESUVUFYWRX-UHFFFAOYSA-N 0 0 337.604 4.329 50 0 EIAARN Cc1cc(C)c(-c2cc(NC(=O)c3ccncc3Cl)n[nH]2)cc1C ZINC000072701050 216296212 /nfs/dbraw/zinc/29/62/12/216296212.db2.gz AXKUTAYZUCIAKI-UHFFFAOYSA-N 0 0 340.814 4.303 50 0 EIAARN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1OCC ZINC000026637676 212527635 /nfs/dbraw/zinc/52/76/35/212527635.db2.gz SKUCNANJDYSZIB-CYBMUJFWSA-N 0 0 331.387 4.114 50 0 EIAARN CN(Cc1ccccc1Br)c1cnc2ccccc2n1 ZINC000026135378 212507496 /nfs/dbraw/zinc/50/74/96/212507496.db2.gz MVSVCMBUNXNNHX-UHFFFAOYSA-N 0 0 328.213 4.029 50 0 EIAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc2cnccc21 ZINC000073075395 216346850 /nfs/dbraw/zinc/34/68/50/216346850.db2.gz DNVYXCQIOATDOL-IBGZPJMESA-N 0 0 332.403 4.221 50 0 EIAARN O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025372702 212476469 /nfs/dbraw/zinc/47/64/69/212476469.db2.gz PDFVMKTWMMUXKA-LBPRGKRZSA-N 0 0 345.848 4.066 50 0 EIAARN CCOc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2OC)cc1 ZINC000025108809 212460125 /nfs/dbraw/zinc/46/01/25/212460125.db2.gz XXIMWENLELUUKN-ASNKMWSDSA-N 0 0 339.435 4.327 50 0 EIAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C)ccc3C)c12 ZINC000024923494 212447328 /nfs/dbraw/zinc/44/73/28/212447328.db2.gz ZYLZSVDSXODYIE-UHFFFAOYSA-N 0 0 334.423 4.023 50 0 EIAARN O=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1cccc2ccccc21 ZINC000024691087 212433932 /nfs/dbraw/zinc/43/39/32/212433932.db2.gz XDSVTISKRLMEBD-KRWDZBQOSA-N 0 0 345.446 4.488 50 0 EIAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccnc2)cc1 ZINC000024535444 212425667 /nfs/dbraw/zinc/42/56/67/212425667.db2.gz IHLGNEORKBZGNM-GOSISDBHSA-N 0 0 325.412 4.239 50 0 EIAARN Clc1snnc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000023865230 212397468 /nfs/dbraw/zinc/39/74/68/212397468.db2.gz MEZPVDJPSGEZMO-NSHDSACASA-N 0 0 336.873 4.138 50 0 EIAARN Cc1sc2[nH]c([C@@H](C)Nc3ccc4c(c3)CCC4)nc(=O)c2c1C ZINC000023865862 212397475 /nfs/dbraw/zinc/39/74/75/212397475.db2.gz NGLAHAUKHLINAC-LLVKDONJSA-N 0 0 339.464 4.263 50 0 EIAARN Cc1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)c(C)c1 ZINC000023703342 212391791 /nfs/dbraw/zinc/39/17/91/212391791.db2.gz LEOUTJCKUUHBEJ-UHFFFAOYSA-N 0 0 341.842 4.238 50 0 EIAARN Cc1ccc(CN(C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)o1 ZINC000023619960 212385874 /nfs/dbraw/zinc/38/58/74/212385874.db2.gz KMWCKAVWQVLJOA-UHFFFAOYSA-N 0 0 342.424 4.079 50 0 EIAARN CCn1cc(-c2cc(C(=O)N3CCCCC3)c3cccc(C)c3n2)cn1 ZINC000023543709 212381921 /nfs/dbraw/zinc/38/19/21/212381921.db2.gz ADYYDZAMQZCAEO-UHFFFAOYSA-N 0 0 348.450 4.053 50 0 EIAARN Cc1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)[nH]1 ZINC000023446267 212377716 /nfs/dbraw/zinc/37/77/16/212377716.db2.gz LZIGNBDPSKWWKG-UHFFFAOYSA-N 0 0 348.402 4.146 50 0 EIAARN Cc1nc(NC(=O)c2ccc3c(c2)CCC3)sc1-c1ccccn1 ZINC000023500517 212380570 /nfs/dbraw/zinc/38/05/70/212380570.db2.gz CFJIWFMJXUHFRR-UHFFFAOYSA-N 0 0 335.432 4.255 50 0 EIAARN Cc1nc(/C=C/C(=O)N2CC[C@@H](C)Sc3ccccc32)cs1 ZINC000023493018 212380292 /nfs/dbraw/zinc/38/02/92/212380292.db2.gz ZKHUWNXXQGYDMZ-ABZNLYFFSA-N 0 0 330.478 4.382 50 0 EIAARN O=C(CSCc1ccccc1F)N[C@H]1CCCc2ccccc21 ZINC000023410960 212375548 /nfs/dbraw/zinc/37/55/48/212375548.db2.gz CWMBJUHMLQGRHY-SFHVURJKSA-N 0 0 329.440 4.253 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000023118196 212349194 /nfs/dbraw/zinc/34/91/94/212349194.db2.gz OFACVUHDAXSHOS-UHFFFAOYSA-N 0 0 345.402 4.205 50 0 EIAARN O=C(Nc1nc(C2CC2)cs1)c1occc1COc1ccccc1 ZINC000023135179 212353913 /nfs/dbraw/zinc/35/39/13/212353913.db2.gz WTACRAFSIYFLBM-UHFFFAOYSA-N 0 0 340.404 4.445 50 0 EIAARN Cc1ccccc1Cn1cnc2c(-c3ccccc3)csc2c1=O ZINC000023126374 212351121 /nfs/dbraw/zinc/35/11/21/212351121.db2.gz XPVILXPJBKAUQH-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN O=C(COC(=O)C1(c2cccc(Cl)c2)CCCCC1)c1ccc[nH]1 ZINC000022978247 212340580 /nfs/dbraw/zinc/34/05/80/212340580.db2.gz MWWKROCDSDGACU-UHFFFAOYSA-N 0 0 345.826 4.296 50 0 EIAARN Cc1c(C(=O)Nc2ccccc2F)n[nH]c1-c1ccc(Cl)cc1 ZINC000132414781 223329104 /nfs/dbraw/zinc/32/91/04/223329104.db2.gz LUIPOGDDBISVMA-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CN(Cn1c2ccccc2oc1=O)C(c1ccccc1)c1ccccc1 ZINC000023053672 212344260 /nfs/dbraw/zinc/34/42/60/212344260.db2.gz WFGFXMYHFRMREH-UHFFFAOYSA-N 0 0 344.414 4.273 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000075106626 216556444 /nfs/dbraw/zinc/55/64/44/216556444.db2.gz UBTPKXWOYIAHBL-HUUCEWRRSA-N 0 0 335.856 4.130 50 0 EIAARN CC(C)(C)c1ccc(OCCNC(=O)c2cc(F)ccc2F)cc1 ZINC000022655154 212314679 /nfs/dbraw/zinc/31/46/79/212314679.db2.gz HYONFKRSWISEMD-UHFFFAOYSA-N 0 0 333.378 4.071 50 0 EIAARN CC(C)CCC(=O)Nc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000022463172 212299886 /nfs/dbraw/zinc/29/98/86/212299886.db2.gz YTBIQPGEPIKAJD-UHFFFAOYSA-N 0 0 336.395 4.173 50 0 EIAARN CCC(=O)N1CCCc2ccc(NC(=O)Nc3cccs3)cc21 ZINC000022502837 212301838 /nfs/dbraw/zinc/30/18/38/212301838.db2.gz RLPPFLZIAFYMKI-UHFFFAOYSA-N 0 0 329.425 4.081 50 0 EIAARN COc1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1OC ZINC000022435400 212296976 /nfs/dbraw/zinc/29/69/76/212296976.db2.gz UEHKFLNMAGPWFZ-QWHCGFSZSA-N 0 0 349.789 4.239 50 0 EIAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(N(C)C)nc4)cc3c2C1 ZINC000022394414 212294426 /nfs/dbraw/zinc/29/44/26/212294426.db2.gz UEPIHJPMYHESNF-CYBMUJFWSA-N 0 0 348.450 4.006 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 ZINC000022410535 212295989 /nfs/dbraw/zinc/29/59/89/212295989.db2.gz MVLWUNSMVZTHAQ-UHFFFAOYSA-N 0 0 328.375 4.186 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1C ZINC000022319838 212289940 /nfs/dbraw/zinc/28/99/40/212289940.db2.gz XEKDXCQECAQJEP-QGZVFWFLSA-N 0 0 335.451 4.147 50 0 EIAARN O=C(N[C@H]1CCc2ccccc21)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000022322306 212289469 /nfs/dbraw/zinc/28/94/69/212289469.db2.gz CEJNYBVZAIGLQE-KRWDZBQOSA-N 0 0 337.810 4.147 50 0 EIAARN CCC[C@H]1CCc2c(sc(NC(=O)C(C)C)c2C(=O)OCC)C1 ZINC000022323209 212289583 /nfs/dbraw/zinc/28/95/83/212289583.db2.gz FLQHQBNBVZENFW-LBPRGKRZSA-N 0 0 337.485 4.424 50 0 EIAARN C/C=C(\C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2 ZINC000022323785 212290721 /nfs/dbraw/zinc/29/07/21/212290721.db2.gz BEJMNCZXHPGSMG-JXDHDYMSSA-N 0 0 335.469 4.344 50 0 EIAARN Cn1cnc2cc(C(=O)N(Cc3ccsc3)C3CCCC3)ccc21 ZINC000214967804 241101301 /nfs/dbraw/zinc/10/13/01/241101301.db2.gz KYHSKEMWPLAFQW-UHFFFAOYSA-N 0 0 339.464 4.220 50 0 EIAARN O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000215067542 241106119 /nfs/dbraw/zinc/10/61/19/241106119.db2.gz ZWASSPWNXPSMPY-FQEVSTJZSA-N 0 0 338.426 4.403 50 0 EIAARN COc1ccc([C@@H]2CCCCN(C(=O)/C=C/c3ccco3)C2)cc1 ZINC000208002470 241065319 /nfs/dbraw/zinc/06/53/19/241065319.db2.gz XJMLAJNUPCMKGI-FMQWLBJXSA-N 0 0 325.408 4.098 50 0 EIAARN COC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1 ZINC000215849148 241151971 /nfs/dbraw/zinc/15/19/71/241151971.db2.gz SQWSYZPBTKRBAM-UHFFFAOYSA-N 0 0 326.783 4.038 50 0 EIAARN Cc1nc2ccccn2c1CN(C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000216438782 241191656 /nfs/dbraw/zinc/19/16/56/241191656.db2.gz RYAJCHRXTKIVCV-KRWDZBQOSA-N 0 0 341.480 4.188 50 0 EIAARN Fc1cccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000215509728 241128155 /nfs/dbraw/zinc/12/81/55/241128155.db2.gz ASXDYRAOBPRYAU-IBGZPJMESA-N 0 0 336.414 4.338 50 0 EIAARN Fc1cccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000215509679 241129938 /nfs/dbraw/zinc/12/99/38/241129938.db2.gz ASXDYRAOBPRYAU-LJQANCHMSA-N 0 0 336.414 4.338 50 0 EIAARN O=C(c1cccnc1-c1cccc(C(F)(F)F)c1)N1C[C@H]2CC[C@@H]1C2 ZINC000215661738 241136897 /nfs/dbraw/zinc/13/68/97/241136897.db2.gz BZBYAUJLHPQITC-SWLSCSKDSA-N 0 0 346.352 4.392 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)c3ccc(N(C)C)cc3)n2)cc1 ZINC000022065302 212273932 /nfs/dbraw/zinc/27/39/32/212273932.db2.gz SFLUZDZBTYQMQV-UHFFFAOYSA-N 0 0 337.448 4.437 50 0 EIAARN Cn1nc(CN(C(=O)/C=C/c2ccccc2)C2CCCC2)cc1C1CC1 ZINC000217898988 241284312 /nfs/dbraw/zinc/28/43/12/241284312.db2.gz UWJSKJPDZXOHGF-SDNWHVSQSA-N 0 0 349.478 4.282 50 0 EIAARN c1cc(-c2noc(CSc3ncnc4ccsc43)n2)cs1 ZINC000022005429 212270195 /nfs/dbraw/zinc/27/01/95/212270195.db2.gz VHSVETWHDBBKRR-UHFFFAOYSA-N 0 0 332.435 4.095 50 0 EIAARN O=C(c1ccc(-c2ccccc2F)cc1)N1CCOC2(CCCC2)C1 ZINC000218908273 241350777 /nfs/dbraw/zinc/35/07/77/241350777.db2.gz GDONRGIDZOWLEE-UHFFFAOYSA-N 0 0 339.410 4.278 50 0 EIAARN O=C(c1ccccc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219313535 241380566 /nfs/dbraw/zinc/38/05/66/241380566.db2.gz XXYVCFJAUCSLER-KRWDZBQOSA-N 0 0 333.403 4.285 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)N1CCS[C@H](c2ccco2)CC1 ZINC000219370360 241381972 /nfs/dbraw/zinc/38/19/72/241381972.db2.gz FWJMDRPHXXCIJA-SFHVURJKSA-N 0 0 340.448 4.010 50 0 EIAARN O=C(Nc1c(F)cccc1F)N1CCS[C@H](c2ccco2)CC1 ZINC000219431473 241384947 /nfs/dbraw/zinc/38/49/47/241384947.db2.gz ZUDLHPIDPNUARQ-AWEZNQCLSA-N 0 0 338.379 4.270 50 0 EIAARN CCCn1cc(-c2ccncc2)cc1C(=O)NCc1cccc(F)c1 ZINC000075508991 216627181 /nfs/dbraw/zinc/62/71/81/216627181.db2.gz LYVZPPVXDZEHLN-UHFFFAOYSA-N 0 0 337.398 4.029 50 0 EIAARN Cc1cccc(-c2nocc2CCC(=O)NC2CCCCCC2)c1 ZINC000075510281 216628436 /nfs/dbraw/zinc/62/84/36/216628436.db2.gz PJYDTABVJKAKCX-UHFFFAOYSA-N 0 0 326.440 4.422 50 0 EIAARN COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(OC)c1 ZINC000021934023 212263690 /nfs/dbraw/zinc/26/36/90/212263690.db2.gz JNNNGFDHLMUKOU-AWEZNQCLSA-N 0 0 339.435 4.074 50 0 EIAARN C[C@H](NC(=O)c1cncn1-c1ccccc1)c1cc2ccccc2o1 ZINC000021933550 212263458 /nfs/dbraw/zinc/26/34/58/212263458.db2.gz MKZKHJMTLGEMKH-AWEZNQCLSA-N 0 0 331.375 4.110 50 0 EIAARN CC(C)CCNc1nc2c(cnn2C)c(Nc2cccc(Cl)c2)n1 ZINC000021928971 212263542 /nfs/dbraw/zinc/26/35/42/212263542.db2.gz UDGIATJETRCKLP-UHFFFAOYSA-N 0 0 344.850 4.218 50 0 EIAARN O=C(NCc1ccccn1)c1ccccc1SCc1cccs1 ZINC000021895882 212260773 /nfs/dbraw/zinc/26/07/73/212260773.db2.gz HOWZLEHNDRFDBW-UHFFFAOYSA-N 0 0 340.473 4.365 50 0 EIAARN COc1ccc(NC(=O)c2ccnc(Nc3cccc(C)c3)c2)cc1 ZINC000021881885 212258998 /nfs/dbraw/zinc/25/89/98/212258998.db2.gz MRYRFBFLROHCLM-UHFFFAOYSA-N 0 0 333.391 4.395 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn21 ZINC000021832166 212254696 /nfs/dbraw/zinc/25/46/96/212254696.db2.gz NPZUBVRUSDTYTI-UHFFFAOYSA-N 0 0 346.390 4.167 50 0 EIAARN O=C(NCCCCC(F)(F)F)N1CCCSc2ccccc21 ZINC000225502170 241901733 /nfs/dbraw/zinc/90/17/33/241901733.db2.gz XUBINXMMGPOXFV-UHFFFAOYSA-N 0 0 332.391 4.431 50 0 EIAARN Cc1oc2ncnc(NC(=O)c3ccc(C(F)(F)F)cc3)c2c1C ZINC000225398380 241841907 /nfs/dbraw/zinc/84/19/07/241841907.db2.gz NWNAERIFBKIXHS-UHFFFAOYSA-N 0 0 335.285 4.111 50 0 EIAARN COc1cc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cc(OC)c1 ZINC000021720456 212244793 /nfs/dbraw/zinc/24/47/93/212244793.db2.gz QWRFWEQHQHIMIV-GOSISDBHSA-N 0 0 330.428 4.152 50 0 EIAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1cc(C2CC2)no1 ZINC000225636818 241963582 /nfs/dbraw/zinc/96/35/82/241963582.db2.gz JMRLPSQWCSISGT-UHFFFAOYSA-N 0 0 344.374 4.119 50 0 EIAARN O=C(/C=C/c1cccs1)NCc1cccnc1-c1ccsc1 ZINC000225644449 241967193 /nfs/dbraw/zinc/96/71/93/241967193.db2.gz HMKPYAXOALMDFO-AATRIKPKSA-N 0 0 326.446 4.201 50 0 EIAARN Cc1cc(C)c2c(oc(=O)c3c2OC(=O)C[C@H]3c2ccccc2)c1C ZINC000226763026 242115235 /nfs/dbraw/zinc/11/52/35/242115235.db2.gz VYROLMIHXWVQHZ-HNNXBMFYSA-N 0 0 334.371 4.159 50 0 EIAARN CCCOc1ccc(CN2CCC[C@@H]2c2cc(C)on2)cc1OC ZINC000021720260 212244498 /nfs/dbraw/zinc/24/44/98/212244498.db2.gz FKZSWCDXZRBJFV-QGZVFWFLSA-N 0 0 330.428 4.118 50 0 EIAARN Cc1ccc(-c2noc3ncnc(NCc4ccc(F)cc4)c32)cc1 ZINC000021715103 212241745 /nfs/dbraw/zinc/24/17/45/212241745.db2.gz JDQJBRGGDGAFLU-UHFFFAOYSA-N 0 0 334.354 4.344 50 0 EIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)Nc1ccccc1F ZINC000021555543 212232229 /nfs/dbraw/zinc/23/22/29/212232229.db2.gz XHSMKIYPJHCHRV-UHFFFAOYSA-N 0 0 337.398 4.248 50 0 EIAARN Cc1c(Cl)cccc1-n1ccnc(NCCC2=CCCCC2)c1=O ZINC000021537040 212230223 /nfs/dbraw/zinc/23/02/23/212230223.db2.gz QVUFFORGCLRCAQ-UHFFFAOYSA-N 0 0 343.858 4.497 50 0 EIAARN Cc1oc(-c2cccc(Cl)c2)nc1CNC(=O)NC1CCCCC1 ZINC000021635459 212236322 /nfs/dbraw/zinc/23/63/22/212236322.db2.gz JUZVBBRPZALYNL-UHFFFAOYSA-N 0 0 347.846 4.435 50 0 EIAARN O=C(CSc1ccc(C(F)(F)F)cn1)NC1CCCCCC1 ZINC000021635737 212236057 /nfs/dbraw/zinc/23/60/57/212236057.db2.gz LAVCOQVORIZVKV-UHFFFAOYSA-N 0 0 332.391 4.032 50 0 EIAARN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000230214044 242252138 /nfs/dbraw/zinc/25/21/38/242252138.db2.gz SWZSWEKECFPGLF-WAOWUJCRSA-N 0 0 348.531 4.360 50 0 EIAARN C[C@@H]1CCc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2C1 ZINC000021475527 212226132 /nfs/dbraw/zinc/22/61/32/212226132.db2.gz JRBFCLNHICSOFP-SECBINFHSA-N 0 0 345.449 4.237 50 0 EIAARN Cc1ccc(-c2noc(COC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000021468530 212224825 /nfs/dbraw/zinc/22/48/25/212224825.db2.gz FGHAGLHYZZGTTK-UHFFFAOYSA-N 0 0 328.755 4.055 50 0 EIAARN COc1ccc(OC)c(-c2csc(Nc3cc(C)ccn3)n2)c1 ZINC000021364373 212224011 /nfs/dbraw/zinc/22/40/11/212224011.db2.gz XKNMAGKIYBTXCP-UHFFFAOYSA-N 0 0 327.409 4.274 50 0 EIAARN Cc1ccc(CSCCNC(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000021396393 212223613 /nfs/dbraw/zinc/22/36/13/212223613.db2.gz NZXVBMKBLLLFLY-GOSISDBHSA-N 0 0 343.517 4.061 50 0 EIAARN CCCn1c2ccc(NC(=O)c3ccc(CC)cc3)cc2sc1=O ZINC000021355075 212222539 /nfs/dbraw/zinc/22/25/39/212222539.db2.gz LXZBSDVEXQQHBN-UHFFFAOYSA-N 0 0 340.448 4.288 50 0 EIAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)C(C)(C)C)nc(N)c32)C1 ZINC000021228499 212217548 /nfs/dbraw/zinc/21/75/48/212217548.db2.gz IVQOZMSZDFFPIR-SECBINFHSA-N 0 0 349.525 4.106 50 0 EIAARN Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000021130457 212210333 /nfs/dbraw/zinc/21/03/33/212210333.db2.gz QNFXFZMDCKZIFA-UHFFFAOYSA-N 0 0 330.327 4.090 50 0 EIAARN COc1ccccc1Nc1c2[nH]cccc-2c(=O)n1-c1ccc(C)cc1 ZINC000021107740 212207461 /nfs/dbraw/zinc/20/74/61/212207461.db2.gz GMMPYLIZCKGKAO-HXUWFJFHSA-N 0 0 345.402 4.170 50 0 EIAARN COc1ccccc1Nc1c2[nH]cccc-2c(=O)n1-c1ccc(C)cc1 ZINC000021107745 212207603 /nfs/dbraw/zinc/20/76/03/212207603.db2.gz GMMPYLIZCKGKAO-FQEVSTJZSA-N 0 0 345.402 4.170 50 0 EIAARN COc1ccc(-n2c(Nc3cccc(C)c3)c3[nH]cccc-3c2=O)cc1 ZINC000021106587 212206923 /nfs/dbraw/zinc/20/69/23/212206923.db2.gz GFFYQXCLNVEDSZ-FQEVSTJZSA-N 0 0 345.402 4.170 50 0 EIAARN CCOc1ccc(CNC(=O)C[C@@H](c2ccccc2)n2cccc2)cc1 ZINC000021016352 212200751 /nfs/dbraw/zinc/20/07/51/212200751.db2.gz VNTVHCGXYIPZPG-NRFANRHFSA-N 0 0 348.446 4.183 50 0 EIAARN O=C(C[C@@H](c1ccccc1)n1cccc1)NCc1ccc(Cl)cc1 ZINC000021016077 212200516 /nfs/dbraw/zinc/20/05/16/212200516.db2.gz MSWGMPWPYXTHKT-IBGZPJMESA-N 0 0 338.838 4.437 50 0 EIAARN COc1ccccc1CNC(=O)C[C@@H](c1cccc(C)c1)n1cccc1 ZINC000020999065 212197964 /nfs/dbraw/zinc/19/79/64/212197964.db2.gz FERXTFRTTBHBRZ-FQEVSTJZSA-N 0 0 348.446 4.101 50 0 EIAARN COc1cccc([C@@H](CC(=O)Nc2ccc(F)cc2)n2cccc2)c1 ZINC000020998377 212197357 /nfs/dbraw/zinc/19/73/57/212197357.db2.gz YEHRDLNHHSRJHA-LJQANCHMSA-N 0 0 338.382 4.254 50 0 EIAARN Cc1ccc(CNC(=O)C[C@H](c2ccccc2C)n2cccc2)cc1 ZINC000020998654 212197170 /nfs/dbraw/zinc/19/71/70/212197170.db2.gz XFIXNZRHWZMMCK-OAQYLSRUSA-N 0 0 332.447 4.401 50 0 EIAARN Fc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1F ZINC000020996904 212196060 /nfs/dbraw/zinc/19/60/60/212196060.db2.gz OIJJNOYMFYVUHO-UHFFFAOYSA-N 0 0 336.345 4.287 50 0 EIAARN C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cccn1 ZINC000020990656 212195282 /nfs/dbraw/zinc/19/52/82/212195282.db2.gz JXXIAZHQDWMZLQ-VIFPVBQESA-N 0 0 331.725 4.145 50 0 EIAARN CC[C@@H](Sc1nc2ncccc2o1)C(=O)Nc1ccc(C)cc1 ZINC000020993845 212194928 /nfs/dbraw/zinc/19/49/28/212194928.db2.gz XLMVQRHDRNHYFO-CQSZACIVSA-N 0 0 327.409 4.041 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C)Cc1ccccc1C ZINC000020917678 212188753 /nfs/dbraw/zinc/18/87/53/212188753.db2.gz BKQVPPYLYZVNFF-UHFFFAOYSA-N 0 0 347.462 4.129 50 0 EIAARN CSc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1C ZINC000242140811 243010937 /nfs/dbraw/zinc/01/09/37/243010937.db2.gz WPLLCXRJEUIJIH-HNNXBMFYSA-N 0 0 330.457 4.199 50 0 EIAARN CN1C[C@H](C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc21 ZINC000241383245 242990068 /nfs/dbraw/zinc/99/00/68/242990068.db2.gz MTQQKSFSIDTXPU-MRXNPFEDSA-N 0 0 349.459 4.057 50 0 EIAARN COc1ccc(-c2nnc(SCCOc3cccc(C)c3)o2)cc1 ZINC000020897148 212183679 /nfs/dbraw/zinc/18/36/79/212183679.db2.gz KXHSYUBWGUHOLA-UHFFFAOYSA-N 0 0 342.420 4.225 50 0 EIAARN CCc1nc2c(s1)[C@H](N(C)C(=O)c1oc(C3CC3)nc1C)CCC2 ZINC000241926446 243005221 /nfs/dbraw/zinc/00/52/21/243005221.db2.gz UGGRNYWEEANOHN-CYBMUJFWSA-N 0 0 345.468 4.029 50 0 EIAARN O=C(NC1(CCO)CCCC1)c1ccc(Oc2cccc(F)c2)cc1 ZINC000241965596 243007539 /nfs/dbraw/zinc/00/75/39/243007539.db2.gz UUDGCUHRLRVDEP-UHFFFAOYSA-N 0 0 343.398 4.043 50 0 EIAARN CCN(Cc1cc(C2CCCCC2)no1)Cc1noc(C2CC2)n1 ZINC000243919606 243032262 /nfs/dbraw/zinc/03/22/62/243032262.db2.gz 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346.352 4.468 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1-n1cccn1 ZINC000084564647 217616021 /nfs/dbraw/zinc/61/60/21/217616021.db2.gz WVGBTWYNANQTPC-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 EIAARN FC(F)(F)Oc1ccc(-c2noc(COc3ccccc3)n2)cc1 ZINC000013725504 211622733 /nfs/dbraw/zinc/62/27/33/211622733.db2.gz IVCDRBWRKARING-UHFFFAOYSA-N 0 0 336.269 4.214 50 0 EIAARN Cc1cc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2C)ccc1F ZINC000086012813 217688280 /nfs/dbraw/zinc/68/82/80/217688280.db2.gz WNBRSPBCGSIBLB-NRFANRHFSA-N 0 0 348.421 4.489 50 0 EIAARN CCCc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 ZINC000013695905 211615177 /nfs/dbraw/zinc/61/51/77/211615177.db2.gz CMRKTNYFIYNNQF-UHFFFAOYSA-N 0 0 348.446 4.191 50 0 EIAARN COc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000013496758 211567773 /nfs/dbraw/zinc/56/77/73/211567773.db2.gz WPAJKYVSFZCBKB-UHFFFAOYSA-N 0 0 336.844 4.475 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2cccc(O)c2n1 ZINC000013367283 211551345 /nfs/dbraw/zinc/55/13/45/211551345.db2.gz DYRVIAGLGCTUEF-UHFFFAOYSA-N 0 0 332.281 4.212 50 0 EIAARN CCC(=O)Nc1nc2cc(NC(=O)NC3CCCCC3)ccc2s1 ZINC000013353841 211550523 /nfs/dbraw/zinc/55/05/23/211550523.db2.gz OHXSBYMHCAHVAE-UHFFFAOYSA-N 0 0 346.456 4.099 50 0 EIAARN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1cc(C)on1 ZINC000013331813 211548873 /nfs/dbraw/zinc/54/88/73/211548873.db2.gz YNZLUQDERWLJMT-LLVKDONJSA-N 0 0 329.183 4.086 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1ccc(Br)cc1CC ZINC000013325682 211545772 /nfs/dbraw/zinc/54/57/72/211545772.db2.gz UKGXYQBRGFHCPY-UHFFFAOYSA-N 0 0 337.217 4.123 50 0 EIAARN CCOc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 ZINC000013326315 211545786 /nfs/dbraw/zinc/54/57/86/211545786.db2.gz JBZJZKZJVRHCEP-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN CCOc1ccc(-c2n[nH]cc2Oc2ccccc2OCC)c(O)c1 ZINC000013127349 211525217 /nfs/dbraw/zinc/52/52/17/211525217.db2.gz WNVLPJAJNYJBFT-UHFFFAOYSA-N 0 0 340.379 4.372 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 ZINC000013011166 211511979 /nfs/dbraw/zinc/51/19/79/211511979.db2.gz BNBSYIZJIAMVMI-KBPBESRZSA-N 0 0 346.858 4.432 50 0 EIAARN C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 ZINC000013002312 211508247 /nfs/dbraw/zinc/50/82/47/211508247.db2.gz GAMHDKZCSZFEKC-AWEZNQCLSA-N 0 0 338.432 4.213 50 0 EIAARN CCc1ccc(-c2nc(COc3ccccc3C(N)=O)cs2)cc1 ZINC000012984385 211499715 /nfs/dbraw/zinc/49/97/15/211499715.db2.gz RYPNCGBLJBHFDM-UHFFFAOYSA-N 0 0 338.432 4.050 50 0 EIAARN O=C(OCc1ccccc1)N1CCC[C@@H]1/C=C/COc1ccccc1 ZINC000012960051 211493499 /nfs/dbraw/zinc/49/34/99/211493499.db2.gz RPWKCCRFSJKBCQ-YRVHBARZSA-N 0 0 337.419 4.423 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccccc3C)cc12 ZINC000012942396 211489089 /nfs/dbraw/zinc/48/90/89/211489089.db2.gz LFIXWKOKSQSKOE-UHFFFAOYSA-N 0 0 341.480 4.301 50 0 EIAARN COC(=O)c1cc(NC(=O)[C@H]2CCCc3ccccc32)ccc1Cl ZINC000012893737 211476694 /nfs/dbraw/zinc/47/66/94/211476694.db2.gz LGVLQKMUFGZCAO-HNNXBMFYSA-N 0 0 343.810 4.185 50 0 EIAARN COC(=O)c1sccc1Oc1ccccc1NC(=O)CC(C)C ZINC000012856274 211469198 /nfs/dbraw/zinc/46/91/98/211469198.db2.gz HZABDOPFUWQOFN-UHFFFAOYSA-N 0 0 333.409 4.312 50 0 EIAARN O=C(Cc1ccccc1Cl)Nc1nnc(C2CCCCC2)s1 ZINC000012806810 211461215 /nfs/dbraw/zinc/46/12/15/211461215.db2.gz HDZRLROXKWIQSV-UHFFFAOYSA-N 0 0 335.860 4.420 50 0 EIAARN Cc1ccc(OCc2nc(C(=O)N(C)c3ccccc3)cs2)cc1 ZINC000012740500 211441817 /nfs/dbraw/zinc/44/18/17/211441817.db2.gz HPAUPMOGSOWQHB-UHFFFAOYSA-N 0 0 338.432 4.307 50 0 EIAARN Cc1ccc(CC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1 ZINC000012765105 211449128 /nfs/dbraw/zinc/44/91/28/211449128.db2.gz AZCKHYOGKNVXOW-UHFFFAOYSA-N 0 0 339.826 4.074 50 0 EIAARN Cc1csc(N(C(=O)[C@H]2Cc3ccccc3O2)c2ccccc2)n1 ZINC000012762422 211448221 /nfs/dbraw/zinc/44/82/21/211448221.db2.gz LBUCLMFXFCZERI-QGZVFWFLSA-N 0 0 336.416 4.120 50 0 EIAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ccc(Br)cc1 ZINC000012587573 211417045 /nfs/dbraw/zinc/41/70/45/211417045.db2.gz RPLPPUADJVJGKL-TXEJJXNPSA-N 0 0 342.302 4.331 50 0 EIAARN C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccncc1 ZINC000012557637 211410242 /nfs/dbraw/zinc/41/02/42/211410242.db2.gz DYTIWCXKBIZKHC-INIZCTEOSA-N 0 0 348.402 4.130 50 0 EIAARN CCN1C[C@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O ZINC000012539717 211402847 /nfs/dbraw/zinc/40/28/47/211402847.db2.gz FXNJDCVASDVKAV-GOSISDBHSA-N 0 0 347.462 4.037 50 0 EIAARN CCc1nc2ccccc2n1C[C@H](O)c1cccc(Br)c1 ZINC000012525242 211399234 /nfs/dbraw/zinc/39/92/34/211399234.db2.gz IUXXTLQGCHVGKY-INIZCTEOSA-N 0 0 345.240 4.095 50 0 EIAARN Cc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000012527057 211398409 /nfs/dbraw/zinc/39/84/09/211398409.db2.gz ZAMYJTOOVIPOMI-UHFFFAOYSA-N 0 0 334.350 4.012 50 0 EIAARN CSc1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000012508157 211394831 /nfs/dbraw/zinc/39/48/31/211394831.db2.gz CCBGLXZCKRWVLU-UHFFFAOYSA-N 0 0 331.462 4.138 50 0 EIAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000012460572 211388683 /nfs/dbraw/zinc/38/86/83/211388683.db2.gz TTWRRFCRMZZXJW-UHFFFAOYSA-N 0 0 338.190 4.293 50 0 EIAARN O=C(NC(=S)Nc1ccccc1)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000012436553 211379510 /nfs/dbraw/zinc/37/95/10/211379510.db2.gz CICPWWXJNUEUBB-LVFIWVQCSA-N 0 0 328.481 4.106 50 0 EIAARN O=C(Nc1ccccc1)c1cnc2c(cccc2C(F)(F)F)c1O ZINC000012421852 211375960 /nfs/dbraw/zinc/37/59/60/211375960.db2.gz CIIRDNXNFOIPGT-UHFFFAOYSA-N 0 0 332.281 4.212 50 0 EIAARN Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)cc1 ZINC000012414357 211373305 /nfs/dbraw/zinc/37/33/05/211373305.db2.gz WOLRDUYFCRAXBG-QGZVFWFLSA-N 0 0 347.418 4.182 50 0 EIAARN CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000012404427 211369687 /nfs/dbraw/zinc/36/96/87/211369687.db2.gz LKQPPZFOMSRRIB-UHFFFAOYSA-N 0 0 342.414 4.340 50 0 EIAARN CN(C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000012404435 211369738 /nfs/dbraw/zinc/36/97/38/211369738.db2.gz XDIBLBYNKXQGIO-UHFFFAOYSA-N 0 0 348.377 4.355 50 0 EIAARN C[C@@H]1N(C(=O)Nc2ccccc2N2CCCCCC2)CCOC1(C)C ZINC000089919929 217882516 /nfs/dbraw/zinc/88/25/16/217882516.db2.gz CUKZZISYVZCDDV-INIZCTEOSA-N 0 0 345.487 4.098 50 0 EIAARN O=C(Nc1ccc(C(=O)c2cc3ccccc3o2)cc1)c1ccncc1 ZINC000012389479 211366448 /nfs/dbraw/zinc/36/64/48/211366448.db2.gz OWQNJXCZIKHLKJ-UHFFFAOYSA-N 0 0 342.354 4.311 50 0 EIAARN COc1cccc([C@@H](C)NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000012383782 211363714 /nfs/dbraw/zinc/36/37/14/211363714.db2.gz QEJKVYAELWDUJO-SECBINFHSA-N 0 0 325.742 4.118 50 0 EIAARN C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000012383244 211363206 /nfs/dbraw/zinc/36/32/06/211363206.db2.gz KJKARWKNWLOOHS-KFKAGJAMSA-N 0 0 341.476 4.204 50 0 EIAARN C[C@H](Cc1nnc(NC(=O)Cc2cccs2)s1)c1ccccc1 ZINC000012383643 211362763 /nfs/dbraw/zinc/36/27/63/211362763.db2.gz NRUATEAZLHCFCC-GFCCVEGCSA-N 0 0 343.477 4.127 50 0 EIAARN CC(C)(Oc1ccccc1)C(=O)Nc1ccccc1Br ZINC000012381193 211362044 /nfs/dbraw/zinc/36/20/44/211362044.db2.gz IEZIIKTZXBXPAH-UHFFFAOYSA-N 0 0 334.213 4.245 50 0 EIAARN O=C(Nc1ccc2nsnc2c1)c1cccnc1Oc1ccccc1 ZINC000012340849 211352606 /nfs/dbraw/zinc/35/26/06/211352606.db2.gz FJQDWIWSKPOZRN-UHFFFAOYSA-N 0 0 348.387 4.131 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Cl)cc1)CC3 ZINC000012321563 211345863 /nfs/dbraw/zinc/34/58/63/211345863.db2.gz WCKQUOUXWCRNEV-UHFFFAOYSA-N 0 0 340.810 4.028 50 0 EIAARN O=C(C[C@H](c1ccccc1)c1ccccc1F)NCc1ccncc1 ZINC000012307413 211341186 /nfs/dbraw/zinc/34/11/86/211341186.db2.gz AGMKKGOVTMDLBW-LJQANCHMSA-N 0 0 334.394 4.059 50 0 EIAARN Cc1ccc(CNC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 ZINC000012265902 211332063 /nfs/dbraw/zinc/33/20/63/211332063.db2.gz HOKHSICVTVCVQA-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN CCCc1c(C(=O)Nc2cccc(C)c2C)nnn1-c1ccccc1 ZINC000012274651 211331048 /nfs/dbraw/zinc/33/10/48/211331048.db2.gz CKLDVAVPVHFHQH-UHFFFAOYSA-N 0 0 334.423 4.089 50 0 EIAARN O=C(CSc1nnc(-c2ccco2)o1)c1ccc(Cl)s1 ZINC000012249196 211330550 /nfs/dbraw/zinc/33/05/50/211330550.db2.gz CXOQJMDQOCPSTF-UHFFFAOYSA-N 0 0 326.786 4.020 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2cccc(O[C@H](C)CC)c2)cc1 ZINC000012138838 211302769 /nfs/dbraw/zinc/30/27/69/211302769.db2.gz WSJIMPVIWVXJHO-CQSZACIVSA-N 0 0 340.423 4.465 50 0 EIAARN Cc1ccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 ZINC000012111316 211291151 /nfs/dbraw/zinc/29/11/51/211291151.db2.gz GPXMPCQSMHZXHE-UHFFFAOYSA-N 0 0 337.379 4.085 50 0 EIAARN Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 ZINC000012080454 211288536 /nfs/dbraw/zinc/28/85/36/211288536.db2.gz WWJVOGUSXDDUAQ-TZIWHRDSSA-N 0 0 345.377 4.463 50 0 EIAARN Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 ZINC000012080453 211287865 /nfs/dbraw/zinc/28/78/65/211287865.db2.gz WWJVOGUSXDDUAQ-PZJWPPBQSA-N 0 0 345.377 4.463 50 0 EIAARN Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)C2=CCCC2)c1C ZINC000012050470 211282720 /nfs/dbraw/zinc/28/27/20/211282720.db2.gz AJOQOUPZJUMDIF-SFHVURJKSA-N 0 0 335.451 4.093 50 0 EIAARN CC(C)(C)OC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1 ZINC000091302832 217990580 /nfs/dbraw/zinc/99/05/80/217990580.db2.gz BYAUHVJNVGKPOF-UHFFFAOYSA-N 0 0 341.407 4.068 50 0 EIAARN Cc1nc2c(c(S[C@H](C)C(=O)Nc3cccc(C)c3C)n1)CCC2 ZINC000012016721 211280431 /nfs/dbraw/zinc/28/04/31/211280431.db2.gz BWCQGRJVIMILAU-CYBMUJFWSA-N 0 0 341.480 4.010 50 0 EIAARN CC1(C)C[C@@](CCNc2nnc(C3CC3)o2)(c2ccccc2)CCO1 ZINC000091440469 218006294 /nfs/dbraw/zinc/00/62/94/218006294.db2.gz GAWIQWAXIMOYEY-FQEVSTJZSA-N 0 0 341.455 4.276 50 0 EIAARN O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccccc2)on1 ZINC000011915842 211268648 /nfs/dbraw/zinc/26/86/48/211268648.db2.gz UQUDAIVOXLYLBI-UHFFFAOYSA-N 0 0 339.351 4.343 50 0 EIAARN O=C(Nc1cccc(Br)c1)c1cc(-c2ccccc2)on1 ZINC000011916717 211267395 /nfs/dbraw/zinc/26/73/95/211267395.db2.gz SZBQKMITCYWIMZ-UHFFFAOYSA-N 0 0 343.180 4.356 50 0 EIAARN CN(Cc1cccc2cnccc21)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000091469046 218010995 /nfs/dbraw/zinc/01/09/95/218010995.db2.gz UHBVLTFREBMMIY-UHFFFAOYSA-N 0 0 334.394 4.064 50 0 EIAARN CCCCn1ccnc1C1CCN(C(=O)c2ccccc2C)CC1 ZINC000091625630 218034463 /nfs/dbraw/zinc/03/44/63/218034463.db2.gz VJRFLMINQQSZCD-UHFFFAOYSA-N 0 0 325.456 4.011 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50 0 EIAARN CCSc1ccccc1C(=O)NC[C@@H](OC)c1cccc(F)c1 ZINC000096388132 218747287 /nfs/dbraw/zinc/74/72/87/218747287.db2.gz KDXCBQRGWHIDAR-MRXNPFEDSA-N 0 0 333.428 4.055 50 0 EIAARN COc1ccc(-c2nnc(S[C@H](C)c3ccc(F)cc3)n2C)cc1 ZINC000006147873 210594875 /nfs/dbraw/zinc/59/48/75/210594875.db2.gz PBOBNDKAIMURQR-GFCCVEGCSA-N 0 0 343.427 4.483 50 0 EIAARN COc1ccc(OCCSc2ncnc3sc(C)c(C)c32)cc1 ZINC000006051718 210581257 /nfs/dbraw/zinc/58/12/57/210581257.db2.gz HLBCJWKTDKGFEU-UHFFFAOYSA-N 0 0 346.477 4.488 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000096403919 218753198 /nfs/dbraw/zinc/75/31/98/218753198.db2.gz FJVQSOYYJKQTQC-UHFFFAOYSA-N 0 0 328.318 4.489 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1 ZINC000005750808 210529828 /nfs/dbraw/zinc/52/98/28/210529828.db2.gz PJKWBINFJGSACA-ZDUSSCGKSA-N 0 0 341.407 4.010 50 0 EIAARN O=C(COc1ccccc1-c1ccccc1)N1CCc2ccccc21 ZINC000005672704 210513398 /nfs/dbraw/zinc/51/33/98/210513398.db2.gz AERXZEGWYSTLJX-UHFFFAOYSA-N 0 0 329.399 4.322 50 0 EIAARN Cc1csc([C@H](NC(=O)N[C@@H](C)c2ccc(F)cc2)C2CC2)n1 ZINC000096437456 218818195 /nfs/dbraw/zinc/81/81/95/218818195.db2.gz XLEKPBZVRZXBJJ-XHDPSFHLSA-N 0 0 333.432 4.102 50 0 EIAARN Cc1cnc([C@H](NC(=O)N(Cc2cccs2)C2CC2)C2CC2)s1 ZINC000096444052 218825525 /nfs/dbraw/zinc/82/55/25/218825525.db2.gz GFPOTYVAUGKFPZ-OAHLLOKOSA-N 0 0 347.509 4.338 50 0 EIAARN COc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1 ZINC000005560020 210491028 /nfs/dbraw/zinc/49/10/28/210491028.db2.gz AINUVIWTWSHVNX-UHFFFAOYSA-N 0 0 347.414 4.304 50 0 EIAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1F ZINC000005578856 210495312 /nfs/dbraw/zinc/49/53/12/210495312.db2.gz NIDAGKUWINWSKJ-UHFFFAOYSA-N 0 0 345.424 4.222 50 0 EIAARN CCCOc1ccccc1NC(=O)c1ccccc1Br ZINC000005512539 210478484 /nfs/dbraw/zinc/47/84/84/210478484.db2.gz YWXHKSNNHURKQB-UHFFFAOYSA-N 0 0 334.213 4.490 50 0 EIAARN O=C(c1ccoc1)N1CCc2cc(NC/C=C/c3ccco3)ccc21 ZINC000096485920 218862341 /nfs/dbraw/zinc/86/23/41/218862341.db2.gz FZGRMOGEJCDTLS-HNQUOIGGSA-N 0 0 334.375 4.201 50 0 EIAARN COc1ccccc1NC(=O)/C=C\c1ccc(Br)s1 ZINC000096557055 218883292 /nfs/dbraw/zinc/88/32/92/218883292.db2.gz ZTGJUQXUKWSHHD-CLFYSBASSA-N 0 0 338.226 4.171 50 0 EIAARN COc1cccc(/C=C\C(=O)Nc2ccc(F)cc2Cl)c1OC ZINC000096620117 218885625 /nfs/dbraw/zinc/88/56/25/218885625.db2.gz MNHNMNJQLBCEGM-TWGQIWQCSA-N 0 0 335.762 4.148 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N(C)CCc3ccccn3)s2)o1 ZINC000096500729 218876490 /nfs/dbraw/zinc/87/64/90/218876490.db2.gz MZGCPKMRHLKFFM-UHFFFAOYSA-N 0 0 326.421 4.026 50 0 EIAARN C/C=C/c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(OC)c1 ZINC000005440362 210463908 /nfs/dbraw/zinc/46/39/08/210463908.db2.gz IUIIRXIEDWYQAD-ONEGZZNKSA-N 0 0 345.826 4.077 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccc(F)cc1 ZINC000005382081 210453517 /nfs/dbraw/zinc/45/35/17/210453517.db2.gz MPXAELURWKMCDE-UHFFFAOYSA-N 0 0 339.366 4.056 50 0 EIAARN COCCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 ZINC000005245655 210422982 /nfs/dbraw/zinc/42/29/82/210422982.db2.gz CMQZLTRROXJIKJ-UHFFFAOYSA-N 0 0 344.480 4.042 50 0 EIAARN O=C(/C=C\c1cccc(Br)c1)N1CCc2sccc2C1 ZINC000096940784 218903919 /nfs/dbraw/zinc/90/39/19/218903919.db2.gz VHZDONLQPDASGD-PLNGDYQASA-N 0 0 348.265 4.109 50 0 EIAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2)n(CC(C)C)c1C ZINC000005262897 210429171 /nfs/dbraw/zinc/42/91/71/210429171.db2.gz MOVCJZLTPJKMFN-HNNXBMFYSA-N 0 0 331.485 4.275 50 0 EIAARN Cc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000005135690 210398516 /nfs/dbraw/zinc/39/85/16/210398516.db2.gz NPLSKYASQJPRQL-UHFFFAOYSA-N 0 0 333.313 4.002 50 0 EIAARN C[C@H](Nc1cccc(N2CCCC2)c1)c1ccc([S@](C)=O)cc1 ZINC000097045850 218927763 /nfs/dbraw/zinc/92/77/63/218927763.db2.gz HQURKUYIAIBROK-NPMXOYFQSA-N 0 0 328.481 4.197 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000005091510 210388086 /nfs/dbraw/zinc/38/80/86/210388086.db2.gz RLTCWLVVKXXRSV-UHFFFAOYSA-N 0 0 337.297 4.134 50 0 EIAARN CCCCn1c2ccccc2nc1NCc1cc(OC)ccc1OC ZINC000005054443 210377728 /nfs/dbraw/zinc/37/77/28/210377728.db2.gz UFAIPNMRNWHGGY-UHFFFAOYSA-N 0 0 339.439 4.466 50 0 EIAARN Cc1cccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000005063444 210380080 /nfs/dbraw/zinc/38/00/80/210380080.db2.gz MFTIFORDEMGKSL-UHFFFAOYSA-N 0 0 342.508 4.415 50 0 EIAARN CCOc1ccc([C@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005041952 210372706 /nfs/dbraw/zinc/37/27/06/210372706.db2.gz IXHFLVNNWBUZKB-HILYYZTDSA-N 0 0 342.483 4.414 50 0 EIAARN CCn1c(C(=O)NCc2ccccc2OC)cc2sc(Cl)cc21 ZINC000005036613 210371840 /nfs/dbraw/zinc/37/18/40/210371840.db2.gz HYTDYMLTSGCTSY-UHFFFAOYSA-N 0 0 348.855 4.315 50 0 EIAARN Cc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000005023293 210365904 /nfs/dbraw/zinc/36/59/04/210365904.db2.gz UBWOLFVQXHHSAY-UHFFFAOYSA-N 0 0 331.828 4.256 50 0 EIAARN CC(=O)Nc1ccccc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 ZINC000005019825 210364483 /nfs/dbraw/zinc/36/44/83/210364483.db2.gz AOFRHMXTMRCMKO-ZRDIBKRKSA-N 0 0 346.386 4.289 50 0 EIAARN C/C=C/c1ccc(OCCCCSc2ncccn2)c(OC)c1 ZINC000005013384 210361185 /nfs/dbraw/zinc/36/11/85/210361185.db2.gz UALNNEJUSCVERN-XVNBXDOJSA-N 0 0 330.453 4.470 50 0 EIAARN Cc1ccc(OCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1C ZINC000005008668 210360672 /nfs/dbraw/zinc/36/06/72/210360672.db2.gz KLPKQXHAYKJJBR-UHFFFAOYSA-N 0 0 327.468 4.015 50 0 EIAARN COCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000005008432 210360658 /nfs/dbraw/zinc/36/06/58/210360658.db2.gz QVKYZQIIRMBQGG-UHFFFAOYSA-N 0 0 335.856 4.009 50 0 EIAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccco2)cc1F ZINC000004991872 210353163 /nfs/dbraw/zinc/35/31/63/210353163.db2.gz HUACYGFBELKJQT-LJQANCHMSA-N 0 0 336.366 4.494 50 0 EIAARN CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cc(C)ccc1C ZINC000004994082 210353152 /nfs/dbraw/zinc/35/31/52/210353152.db2.gz NEODPFOSQZMKDH-UHFFFAOYSA-N 0 0 348.446 4.397 50 0 EIAARN O=c1ccc(-c2cccs2)nn1Cc1ccc(Cl)cc1Cl ZINC000004986573 210350639 /nfs/dbraw/zinc/35/06/39/210350639.db2.gz RHMPSDDBKNDTEL-UHFFFAOYSA-N 0 0 337.231 4.327 50 0 EIAARN Cc1noc(C)c1CSc1nnc(NCc2ccccc2)s1 ZINC000004997306 210354297 /nfs/dbraw/zinc/35/42/97/210354297.db2.gz JDSZYRFKPXHIGZ-UHFFFAOYSA-N 0 0 332.454 4.047 50 0 EIAARN CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1 ZINC000004974050 210344699 /nfs/dbraw/zinc/34/46/99/210344699.db2.gz WXLOZQOKGCOYEN-UHFFFAOYSA-N 0 0 334.419 4.088 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004953728 210339009 /nfs/dbraw/zinc/33/90/09/210339009.db2.gz BVSIETJUDLJWMA-UHFFFAOYSA-N 0 0 341.451 4.408 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)s1 ZINC000004947928 210336380 /nfs/dbraw/zinc/33/63/80/210336380.db2.gz PBYPVETUPWMGKO-BPLDGKMQSA-N 0 0 338.469 4.217 50 0 EIAARN Cc1ccc(Oc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 ZINC000007002957 208568894 /nfs/dbraw/zinc/56/88/94/208568894.db2.gz HTSBLURILMTMRV-UHFFFAOYSA-N 0 0 331.437 4.008 50 0 EIAARN COc1ccc(-c2nnc(SCc3ccc(OC)c(F)c3)o2)cc1 ZINC000003516654 208565974 /nfs/dbraw/zinc/56/59/74/208565974.db2.gz WEZPNZSMKMLMQK-UHFFFAOYSA-N 0 0 346.383 4.185 50 0 EIAARN Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1)C2=O ZINC000004928717 210325515 /nfs/dbraw/zinc/32/55/15/210325515.db2.gz NLKDPOSFRMMDOO-GOSISDBHSA-N 0 0 337.810 4.430 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1 ZINC000003482365 208558153 /nfs/dbraw/zinc/55/81/53/208558153.db2.gz HCVQGMRIRQJIKK-GOSISDBHSA-N 0 0 325.408 4.114 50 0 EIAARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CCCCC1 ZINC000004943573 210334575 /nfs/dbraw/zinc/33/45/75/210334575.db2.gz DHGUUOIKEOQIQR-UHFFFAOYSA-N 0 0 347.846 4.319 50 0 EIAARN Cc1ccc2c(COC(=O)c3c(F)cccc3Cl)cc(=O)oc2c1 ZINC000003510928 208562854 /nfs/dbraw/zinc/56/28/54/208562854.db2.gz RQWXBFLGSKOBRU-UHFFFAOYSA-N 0 0 346.741 4.251 50 0 EIAARN Cc1ccc2oc(=O)c3cc(C(=O)Nc4nccs4)sc3c2c1 ZINC000004939670 210331713 /nfs/dbraw/zinc/33/17/13/210331713.db2.gz PFAXBJUBNUHEHY-UHFFFAOYSA-N 0 0 342.401 4.025 50 0 EIAARN CCOc1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccccn2)cc1 ZINC000004915777 210322937 /nfs/dbraw/zinc/32/29/37/210322937.db2.gz IQLOXTYATMDRNA-HXUWFJFHSA-N 0 0 345.402 4.251 50 0 EIAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccncc2)N3)C1 ZINC000004913755 210321558 /nfs/dbraw/zinc/32/15/58/210321558.db2.gz ISIBJCIQXCPWSD-MLGOLLRUSA-N 0 0 341.480 4.148 50 0 EIAARN CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 ZINC000004911746 210320735 /nfs/dbraw/zinc/32/07/35/210320735.db2.gz KDEBQLQNMYHNDO-LBPRGKRZSA-N 0 0 345.826 4.456 50 0 EIAARN O=C(CSc1ccccn1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000007042808 208574526 /nfs/dbraw/zinc/57/45/26/208574526.db2.gz REKJEXQTSXVLCY-IBGZPJMESA-N 0 0 348.471 4.274 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000004902232 210317660 /nfs/dbraw/zinc/31/76/60/210317660.db2.gz OAZFFWFCUYKYTM-FQEVSTJZSA-N 0 0 338.451 4.473 50 0 EIAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2c2cc(C)ccn2)cc1 ZINC000004900467 210316665 /nfs/dbraw/zinc/31/66/65/210316665.db2.gz RWQQLJGVYJTQIS-HXUWFJFHSA-N 0 0 345.402 4.170 50 0 EIAARN CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000004894070 210313991 /nfs/dbraw/zinc/31/39/91/210313991.db2.gz XSBLEZXJFNXQRF-LBPRGKRZSA-N 0 0 336.501 4.271 50 0 EIAARN C(=C/c1ccccc1)\c1nn2c(CCc3ccccc3)nnc2s1 ZINC000004850781 210299250 /nfs/dbraw/zinc/29/92/50/210299250.db2.gz WJUNJCMVSMNTFV-WYMLVPIESA-N 0 0 332.432 4.141 50 0 EIAARN CCC(=O)Oc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000004869829 210308639 /nfs/dbraw/zinc/30/86/39/210308639.db2.gz WTXZONLTGIOWHJ-UHFFFAOYSA-N 0 0 347.798 4.225 50 0 EIAARN O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)OCO3 ZINC000004866332 210306542 /nfs/dbraw/zinc/30/65/42/210306542.db2.gz QEHOYJBMHNOLTA-JTQLQIEISA-N 0 0 336.174 4.196 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 ZINC000004842855 210296781 /nfs/dbraw/zinc/29/67/81/210296781.db2.gz BIJQDVYXAXORJS-MRXNPFEDSA-N 0 0 336.435 4.262 50 0 EIAARN CS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccccc1Cl ZINC000004839415 210295165 /nfs/dbraw/zinc/29/51/65/210295165.db2.gz UOZRBZKZILXAQD-UHFFFAOYSA-N 0 0 348.226 4.099 50 0 EIAARN Cc1ccc(SN(c2ccc(C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000004833597 210292473 /nfs/dbraw/zinc/29/24/73/210292473.db2.gz IVWCLHIQSWZPPE-QGZVFWFLSA-N 0 0 345.489 4.128 50 0 EIAARN Cc1nn(-c2ccc(Br)cc2)c(N)c1-c1ccccc1 ZINC000004826919 210289127 /nfs/dbraw/zinc/28/91/27/210289127.db2.gz FFZQABVSYMJWCE-UHFFFAOYSA-N 0 0 328.213 4.192 50 0 EIAARN CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000004814310 210284894 /nfs/dbraw/zinc/28/48/94/210284894.db2.gz RAJQZYGWFTTXRX-UHFFFAOYSA-N 0 0 343.423 4.159 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000000065329 209396667 /nfs/dbraw/zinc/39/66/67/209396667.db2.gz OUYWANSYAWDBTC-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN Cc1cc(NC=C2C(=O)Nc3ccccc32)ccc1Br ZINC000004801179 210280634 /nfs/dbraw/zinc/28/06/34/210280634.db2.gz WXBOJBPDTIKYQB-LCYFTJDESA-N 0 0 329.197 4.163 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004775951 210276128 /nfs/dbraw/zinc/27/61/28/210276128.db2.gz KBTTZNCJIWGRFI-UHFFFAOYSA-N 0 0 346.308 4.317 50 0 EIAARN O=C(Nc1cccc(Cn2cccn2)c1)c1cc(F)c(F)cc1Cl ZINC000004750446 210270399 /nfs/dbraw/zinc/27/03/99/210270399.db2.gz HMUFKNGQTTYTGE-UHFFFAOYSA-N 0 0 347.752 4.115 50 0 EIAARN O=C(COC(=O)c1nc(Cl)ccc1Cl)c1ccccc1Cl ZINC000004767321 210274394 /nfs/dbraw/zinc/27/43/94/210274394.db2.gz RNWJEPAZKHPGPV-UHFFFAOYSA-N 0 0 344.581 4.082 50 0 EIAARN Cc1ccc(CN2CCc3nc(-c4cccc(F)c4)[nH]c3C2)c(F)c1 ZINC000097572120 219036342 /nfs/dbraw/zinc/03/63/42/219036342.db2.gz TVMDLSOYSYRGKF-UHFFFAOYSA-N 0 0 339.389 4.222 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1N1CCCCC1 ZINC000004755752 210271708 /nfs/dbraw/zinc/27/17/08/210271708.db2.gz XCNBYHOAAZGGTI-UHFFFAOYSA-N 0 0 343.858 4.473 50 0 EIAARN Cc1cc(C)c(C[S@@](=O)Cc2cn3c(cccc3C)n2)c(C)c1 ZINC000155218852 224378715 /nfs/dbraw/zinc/37/87/15/224378715.db2.gz CLXYYSRHUZKKNQ-HSZRJFAPSA-N 0 0 326.465 4.017 50 0 EIAARN CCCCc1ccc(NC(=O)[C@H](C)n2c3ccccc3oc2=O)cc1 ZINC000032885579 257835890 /nfs/dbraw/zinc/83/58/90/257835890.db2.gz ZSHLMMUOXUOLHV-AWEZNQCLSA-N 0 0 338.407 4.137 50 0 EIAARN C/C=C\c1cc(C(=O)N(C)Cc2cccs2)cc(OC)c1OC ZINC000096925926 257839453 /nfs/dbraw/zinc/83/94/53/257839453.db2.gz 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O=C(NCCCN1c2ccccc2Sc2ccccc21)c1ccc[nH]1 ZINC000058412298 132804142 /nfs/dbraw/zinc/80/41/42/132804142.db2.gz NUUBUZZYMYMNRS-UHFFFAOYSA-N 0 0 349.459 4.438 50 0 EIAARN CC(C)c1ccc(N2CCC(c3n[nH]cc3-c3ccccc3)CC2)nn1 ZINC000067692831 132812579 /nfs/dbraw/zinc/81/25/79/132812579.db2.gz LWSYGOFXWOQFQM-UHFFFAOYSA-N 0 0 347.466 4.374 50 0 EIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000000413879 135649857 /nfs/dbraw/zinc/64/98/57/135649857.db2.gz DMGMWWAVAJOURK-UHFFFAOYSA-N 0 0 347.821 4.142 50 0 EIAARN COc1cc(OC)c(NC(=O)N2CC=Nc3ccccc32)cc1Cl ZINC000004759202 135666635 /nfs/dbraw/zinc/66/66/35/135666635.db2.gz SNSTYQXDBGWIFX-UHFFFAOYSA-N 0 0 345.786 4.112 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)C[C@@H]2C)cc1 ZINC000006714877 135675577 /nfs/dbraw/zinc/67/55/77/135675577.db2.gz CWPBXBLBOHQYOY-HNNXBMFYSA-N 0 0 343.858 4.391 50 0 EIAARN CCOc1ccc(NC(=O)N2C[C@H](C)Oc3ccc(C)cc32)cc1 ZINC000006842769 135677769 /nfs/dbraw/zinc/67/77/69/135677769.db2.gz RFYSLSBKDRBJBO-AWEZNQCLSA-N 0 0 326.396 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EIAARN Cc1ccccc1N1C(=S)N=NC1c1ccc(Br)cc1 ZINC000000276463 563270724 /nfs/dbraw/zinc/27/07/24/563270724.db2.gz OZCRRIDTCFSFFO-UHFFFAOYSA-N 0 0 346.253 4.294 50 0 EIAARN O[C@@H](CN(c1ccccc1)c1ccccc1)Cn1cnc2ccccc21 ZINC000000290000 563273426 /nfs/dbraw/zinc/27/34/26/563273426.db2.gz UADOBENHDRZEKF-HXUWFJFHSA-N 0 0 343.430 4.236 50 0 EIAARN Cc1nc2ccccc2n1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000000303444 563276678 /nfs/dbraw/zinc/27/66/78/563276678.db2.gz FMZRGVFDEOGNEU-KRWDZBQOSA-N 0 0 338.451 4.082 50 0 EIAARN Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccs2)S3)cc1 ZINC000000304282 563277089 /nfs/dbraw/zinc/27/70/89/563277089.db2.gz RIPMYYYWCRPHGR-CYBMUJFWSA-N 0 0 327.434 4.192 50 0 EIAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cn1 ZINC000000307494 563278419 /nfs/dbraw/zinc/27/84/19/563278419.db2.gz JSQZSISVCHYYPB-FPYGCLRLSA-N 0 0 337.604 4.149 50 0 EIAARN O=c1ccc2ccc(OCc3cccc(Br)c3)cc2o1 ZINC000000307442 563278442 /nfs/dbraw/zinc/27/84/42/563278442.db2.gz JAHAZMNEPPHNQK-UHFFFAOYSA-N 0 0 331.165 4.135 50 0 biogenic EIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc2ccccc2oc1=O ZINC000000313996 563282065 /nfs/dbraw/zinc/28/20/65/563282065.db2.gz JHASMEUHLBAJEX-UHFFFAOYSA-N 0 0 348.383 4.169 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000000316262 563282762 /nfs/dbraw/zinc/28/27/62/563282762.db2.gz ONARGDICQVYXOO-UHFFFAOYSA-N 0 0 326.396 4.075 50 0 EIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000000349488 563288970 /nfs/dbraw/zinc/28/89/70/563288970.db2.gz SWTYHSVABMZPTF-UHFFFAOYSA-N 0 0 346.386 4.200 50 0 EIAARN COc1cccc(CNc2ccc(N3CCCCC3)cc2)c1OC ZINC000000360228 563293394 /nfs/dbraw/zinc/29/33/94/563293394.db2.gz HYQDZOJHGOMQRZ-UHFFFAOYSA-N 0 0 326.440 4.306 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000364372 563295394 /nfs/dbraw/zinc/29/53/94/563295394.db2.gz FYDZUVWJTUBEIL-INIZCTEOSA-N 0 0 345.398 4.324 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)cc1 ZINC000000365509 563296103 /nfs/dbraw/zinc/29/61/03/563296103.db2.gz MUWGAMVSZRBLHY-UHFFFAOYSA-N 0 0 344.842 4.287 50 0 EIAARN Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)nc2c1CCCC2 ZINC000000366578 563296616 /nfs/dbraw/zinc/29/66/16/563296616.db2.gz KFLKNRKKTRJZPM-UHFFFAOYSA-N 0 0 347.871 4.048 50 0 EIAARN COc1cc(OC)c(NC(=O)CCCc2ccccc2)cc1Cl ZINC000000372007 563297865 /nfs/dbraw/zinc/29/78/65/563297865.db2.gz XQQIPOIJBBCFQK-UHFFFAOYSA-N 0 0 333.815 4.319 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1ccoc1C)CCCCCC2 ZINC000000375582 563298749 /nfs/dbraw/zinc/29/87/49/563298749.db2.gz FLICEKDZOHMMOL-UHFFFAOYSA-N 0 0 347.436 4.347 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1O ZINC000000382460 563300307 /nfs/dbraw/zinc/30/03/07/563300307.db2.gz JNBVFKQOOGSQEZ-UHFFFAOYSA-N 0 0 340.206 4.495 50 0 EIAARN O=c1oc2ccccc2cc1-c1nnc(NC2CCCCC2)s1 ZINC000000387584 563303544 /nfs/dbraw/zinc/30/35/44/563303544.db2.gz DWEMRXISDOKAPG-UHFFFAOYSA-N 0 0 327.409 4.056 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000000397254 563304821 /nfs/dbraw/zinc/30/48/21/563304821.db2.gz LLZDCBIOKUESQB-OCAPTIKFSA-N 0 0 337.634 4.288 50 0 EIAARN CC(=O)Oc1cc2oc(C)c(Oc3ccc(F)cc3)c(=O)c2cc1C ZINC000000407241 563306987 /nfs/dbraw/zinc/30/69/87/563306987.db2.gz URFSNCOEJNODQF-UHFFFAOYSA-N 0 0 342.322 4.267 50 0 EIAARN O=C(COc1ccccc1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000000406700 563307046 /nfs/dbraw/zinc/30/70/46/563307046.db2.gz WLFCVFXMWRXDSJ-OAQYLSRUSA-N 0 0 331.415 4.166 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)no1 ZINC000000425720 563310084 /nfs/dbraw/zinc/31/00/84/563310084.db2.gz GWLIXBDLTXGSGK-UHFFFAOYSA-N 0 0 338.150 4.197 50 0 EIAARN COc1ccc(C(=O)CSc2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000000432144 563311216 /nfs/dbraw/zinc/31/12/16/563311216.db2.gz QFWHJIXWIIVOSE-UHFFFAOYSA-N 0 0 326.421 4.163 50 0 EIAARN CCOc1ccc(C)cc1NC(=O)c1ccc(Br)cc1 ZINC000000433301 563311455 /nfs/dbraw/zinc/31/14/55/563311455.db2.gz UJKUOIYHCYBOMH-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN CCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 ZINC000000433864 563311946 /nfs/dbraw/zinc/31/19/46/563311946.db2.gz SQMZBRGFDWGSDA-UHFFFAOYSA-N 0 0 337.448 4.261 50 0 EIAARN COc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000442259 563314461 /nfs/dbraw/zinc/31/44/61/563314461.db2.gz OFJBVFAZWRBKDM-NSHDSACASA-N 0 0 339.313 4.120 50 0 EIAARN COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000000442336 563314507 /nfs/dbraw/zinc/31/45/07/563314507.db2.gz JYXVFSFNRFVQGM-ZDUSSCGKSA-N 0 0 333.815 4.371 50 0 EIAARN C[C@H](NC(=O)CSc1nc2ccccc2s1)c1ccccc1 ZINC000000446016 563317109 /nfs/dbraw/zinc/31/71/09/563317109.db2.gz KYOHXHIBPMMHRS-LBPRGKRZSA-N 0 0 328.462 4.266 50 0 EIAARN S=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1Cl ZINC000000450646 563319801 /nfs/dbraw/zinc/31/98/01/563319801.db2.gz GDDUNLMSMXLCLV-UHFFFAOYSA-N 0 0 329.856 4.350 50 0 EIAARN O=C(NC(=S)Nc1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000000451361 563320316 /nfs/dbraw/zinc/32/03/16/563320316.db2.gz VFUJZMBGMPOGJB-UHFFFAOYSA-N 0 0 332.428 4.065 50 0 EIAARN Cc1ccc(C(=O)COC(=O)c2cccc(Br)c2)cc1C ZINC000000454199 563322639 /nfs/dbraw/zinc/32/26/39/563322639.db2.gz VBZOJYRORKTYKO-UHFFFAOYSA-N 0 0 347.208 4.106 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000000454216 563322662 /nfs/dbraw/zinc/32/26/62/563322662.db2.gz GTMWJIGXWBDCCO-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1 ZINC000000454279 563322702 /nfs/dbraw/zinc/32/27/02/563322702.db2.gz INJIQHBFFMCXPI-VIFPVBQESA-N 0 0 326.179 4.105 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000455612 563323997 /nfs/dbraw/zinc/32/39/97/563323997.db2.gz MZLPSPSPZSWXJH-UHFFFAOYSA-N 0 0 325.408 4.413 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)c(C)c1 ZINC000000456445 563324196 /nfs/dbraw/zinc/32/41/96/563324196.db2.gz DLUYFXXMLZVOID-UHFFFAOYSA-N 0 0 337.444 4.356 50 0 EIAARN CC(C)COc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000000469466 563330147 /nfs/dbraw/zinc/33/01/47/563330147.db2.gz CRANKYFWKSGYOT-UHFFFAOYSA-N 0 0 327.468 4.276 50 0 EIAARN COc1ccccc1/C=C/C(=O)NCc1ccc(Cl)cc1Cl ZINC000000473094 563332558 /nfs/dbraw/zinc/33/25/58/563332558.db2.gz LRWZMDQNMOVZGQ-VQHVLOKHSA-N 0 0 336.218 4.332 50 0 EIAARN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl ZINC000000479889 563336087 /nfs/dbraw/zinc/33/60/87/563336087.db2.gz AQLXOJHSVIIDPD-UHFFFAOYSA-N 0 0 346.235 4.111 50 0 EIAARN C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1 ZINC000000482415 563337073 /nfs/dbraw/zinc/33/70/73/563337073.db2.gz KSKOUMYMEYZNED-NSHDSACASA-N 0 0 337.202 4.351 50 0 EIAARN Clc1ccc(-c2nnc3sc(-c4ccco4)nn32)c(Cl)c1 ZINC000000520457 563340397 /nfs/dbraw/zinc/34/03/97/563340397.db2.gz JHRHJCCSUZSRSV-UHFFFAOYSA-N 0 0 337.191 4.420 50 0 aggregator EIAARN Clc1ccc(Cn2ncc3c2ncnc3NC2CCCCC2)cc1 ZINC000000521268 563340623 /nfs/dbraw/zinc/34/06/23/563340623.db2.gz LZALKPBCUKWXMY-UHFFFAOYSA-N 0 0 341.846 4.273 50 0 EIAARN Clc1ccc(-c2nn3c(COc4ccccc4)nnc3s2)cc1 ZINC000000523939 563341050 /nfs/dbraw/zinc/34/10/50/563341050.db2.gz KGFJTKBXBLBONT-UHFFFAOYSA-N 0 0 342.811 4.085 50 0 EIAARN O=C1c2ccccc2[C@@H]2N1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000000525500 563341115 /nfs/dbraw/zinc/34/11/15/563341115.db2.gz BLMZEXAIXSZDJW-FQEVSTJZSA-N 0 0 340.382 4.002 50 0 biogenic EIAARN CCOc1cccc(-c2nnc3sc(C4CCCCC4)nn32)c1 ZINC000000525924 563341305 /nfs/dbraw/zinc/34/13/05/563341305.db2.gz ROXBYHDCTKAQQG-UHFFFAOYSA-N 0 0 328.441 4.299 50 0 EIAARN CCOc1ccc(-c2nnc3sc(-c4cccc(C)c4)nn32)cc1 ZINC000000530428 563342423 /nfs/dbraw/zinc/34/24/23/563342423.db2.gz QGSDARDCOQLVRP-UHFFFAOYSA-N 0 0 336.420 4.227 50 0 EIAARN Cc1sc2nc(SCc3ccc(C)cc3)n(C)c(=O)c2c1C ZINC000000533526 563343143 /nfs/dbraw/zinc/34/31/43/563343143.db2.gz NUBTYXDKBTUJHS-UHFFFAOYSA-N 0 0 330.478 4.213 50 0 EIAARN CC[C@@H](C)n1c(N)c(C(=O)O[C@@H](C)CC)c2nc3ccccc3nc21 ZINC000000542162 563344234 /nfs/dbraw/zinc/34/42/34/563344234.db2.gz MXHWYMCDLGFBJF-NEPJUHHUSA-N 0 0 340.427 4.093 50 0 EIAARN O=C(CSCc1ccccc1Cl)Nc1c(F)cccc1F ZINC000000562853 563347590 /nfs/dbraw/zinc/34/75/90/563347590.db2.gz XMGFCGFIWBHSHD-UHFFFAOYSA-N 0 0 327.783 4.490 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000000570270 563349439 /nfs/dbraw/zinc/34/94/39/563349439.db2.gz GQRNBTFTCPNXTH-UHFFFAOYSA-N 0 0 334.828 4.029 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)cc1Cl ZINC000000608917 563352454 /nfs/dbraw/zinc/35/24/54/563352454.db2.gz MUKWLOMMALASFH-UHFFFAOYSA-N 0 0 338.190 4.132 50 0 EIAARN COc1cccc([C@H](C)NC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000000610108 563353476 /nfs/dbraw/zinc/35/34/76/563353476.db2.gz FTPFNNWXSZJBMS-NSHDSACASA-N 0 0 334.803 4.240 50 0 EIAARN COc1ccc(CCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000611169 563354110 /nfs/dbraw/zinc/35/41/10/563354110.db2.gz UZXWBGKNOFBRMY-UHFFFAOYSA-N 0 0 338.835 4.017 50 0 EIAARN COc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000000611778 563354656 /nfs/dbraw/zinc/35/46/56/563354656.db2.gz CBOPULRSWJFPFH-UHFFFAOYSA-N 0 0 340.301 4.367 50 0 EIAARN O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCCC1 ZINC000000614906 563357415 /nfs/dbraw/zinc/35/74/15/563357415.db2.gz MIBPKOFRCFCING-MRXNPFEDSA-N 0 0 329.827 4.190 50 0 EIAARN Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)CCCC4)ccc12 ZINC000000621213 563362126 /nfs/dbraw/zinc/36/21/26/563362126.db2.gz ICKGLSXDWKLCSS-UHFFFAOYSA-N 0 0 348.398 4.242 50 0 EIAARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)cc1 ZINC000000798416 563363745 /nfs/dbraw/zinc/36/37/45/563363745.db2.gz BNRZOAPBMGXRLQ-SNVBAGLBSA-N 0 0 331.828 4.336 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000000816276 563364552 /nfs/dbraw/zinc/36/45/52/563364552.db2.gz PMHMUDINDCCSAE-OAHLLOKOSA-N 0 0 325.408 4.301 50 0 EIAARN COc1ccc(Br)cc1C(=O)Nc1ccccc1Cl ZINC000000858883 563364909 /nfs/dbraw/zinc/36/49/09/563364909.db2.gz GYHOXOUPODKBCE-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN COc1cc(NC(=O)C[C@@H](C)c2ccccc2)c(OC)cc1Cl ZINC000000859972 563365569 /nfs/dbraw/zinc/36/55/69/563365569.db2.gz GDOHOVUXLNYBRW-GFCCVEGCSA-N 0 0 333.815 4.490 50 0 EIAARN CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000001069327 563373262 /nfs/dbraw/zinc/37/32/62/563373262.db2.gz TXOYBZJLDLKSPO-CYBMUJFWSA-N 0 0 343.398 4.196 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3c4ccccc4ccc32)c(OC)c1 ZINC000001071163 563373283 /nfs/dbraw/zinc/37/32/83/563373283.db2.gz CMMXAQWHQSVLEW-GOSISDBHSA-N 0 0 333.387 4.331 50 0 EIAARN Cc1nc(NC(=O)c2cc(Br)ccc2Cl)sc1C ZINC000001116805 563375158 /nfs/dbraw/zinc/37/51/58/563375158.db2.gz DORNDEZJXLASAD-UHFFFAOYSA-N 0 0 345.649 4.428 50 0 EIAARN Cc1c(OCC(=O)C(C)(C)C)ccc2c(C(F)(F)F)cc(=O)oc12 ZINC000001165201 563376962 /nfs/dbraw/zinc/37/69/62/563376962.db2.gz MSMJCQUKPFZRBY-UHFFFAOYSA-N 0 0 342.313 4.114 50 0 EIAARN COc1cccc(NC(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000001297892 563382789 /nfs/dbraw/zinc/38/27/89/563382789.db2.gz HIEOMPJGIZIDBK-UHFFFAOYSA-N 0 0 332.429 4.238 50 0 EIAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000001438719 563389218 /nfs/dbraw/zinc/38/92/18/563389218.db2.gz BKVFUDJQIZFOLQ-UHFFFAOYSA-N 0 0 347.340 4.311 50 0 EIAARN Cc1c(Br)cc(Br)cc1Br ZINC000001664051 563400282 /nfs/dbraw/zinc/40/02/82/563400282.db2.gz BFRIZWKDNUHPHL-UHFFFAOYSA-N 0 0 328.829 4.283 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2)CC1 ZINC000001741530 563408958 /nfs/dbraw/zinc/40/89/58/563408958.db2.gz QMUWHXHOUNVLHQ-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN Cc1cc(C)cc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000001770393 563410202 /nfs/dbraw/zinc/41/02/02/563410202.db2.gz IKLRZBVUEHXLHQ-VMPITWQZSA-N 0 0 329.827 4.165 50 0 EIAARN Fc1ccc(C2=C[C@H](c3ccccc3Cl)n3nnnc3N2)cc1 ZINC000001813768 563413485 /nfs/dbraw/zinc/41/34/85/563413485.db2.gz ZDKMTIYUFLLFKD-OAHLLOKOSA-N 0 0 327.750 4.118 50 0 EIAARN CC(C)OC(=O)N[C@H](Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000001893156 563415612 /nfs/dbraw/zinc/41/56/12/563415612.db2.gz PICJRVTYPNGTPI-JTQLQIEISA-N 0 0 343.613 4.069 50 0 EIAARN CCCCCCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 ZINC000002073884 563421371 /nfs/dbraw/zinc/42/13/71/563421371.db2.gz ISSXLKGOHYHCEL-LBPRGKRZSA-N 0 0 330.457 4.361 50 0 EIAARN CCCOC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2C)c1C ZINC000002109118 563422717 /nfs/dbraw/zinc/42/27/17/563422717.db2.gz ZNGRTGUGYHZAMS-UHFFFAOYSA-N 0 0 346.452 4.075 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)NCc2ccccc2)cc1OCC ZINC000002140783 563423838 /nfs/dbraw/zinc/42/38/38/563423838.db2.gz BDQKVPMOCFQYNV-UHFFFAOYSA-N 0 0 347.842 4.458 50 0 EIAARN CC1CC(=O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C1 ZINC000002154593 563424437 /nfs/dbraw/zinc/42/44/37/563424437.db2.gz LKODKNPZCHEBQG-UHFFFAOYSA-N 0 0 339.235 4.014 50 0 EIAARN CC[C@@H](C(=O)NCCc1c[nH]c2cc(OC)ccc12)c1ccccc1 ZINC000002161202 563424744 /nfs/dbraw/zinc/42/47/44/563424744.db2.gz GGNAKHXMYIEERM-GOSISDBHSA-N 0 0 336.435 4.029 50 0 biogenic EIAARN COc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CCC4)c1 ZINC000002229832 563427400 /nfs/dbraw/zinc/42/74/00/563427400.db2.gz KWELEOXREJXIRK-UHFFFAOYSA-N 0 0 336.387 4.178 50 0 EIAARN Cc1ccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000002334531 563429776 /nfs/dbraw/zinc/42/97/76/563429776.db2.gz QVIQXEQRPXVTOB-UHFFFAOYSA-N 0 0 345.442 4.322 50 0 EIAARN CCCOc1ccc(C2N=NC(=S)N2c2ccccc2OC)cc1 ZINC000002347639 563430074 /nfs/dbraw/zinc/43/00/74/563430074.db2.gz UZLFVBFDHFOARD-UHFFFAOYSA-N 0 0 341.436 4.020 50 0 EIAARN O=C(c1ccccc1CN1CC=CC1)c1ccccc1C(F)(F)F ZINC000002515903 563437171 /nfs/dbraw/zinc/43/71/71/563437171.db2.gz YSAQSECOJNFSEJ-UHFFFAOYSA-N 0 0 331.337 4.308 50 0 EIAARN Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccc(F)cc1 ZINC000002621598 563444425 /nfs/dbraw/zinc/44/44/25/563444425.db2.gz VAAZQEDHLBKHJX-UHFFFAOYSA-N 0 0 335.806 4.263 50 0 EIAARN CCCCCC(=O)N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl ZINC000002702030 563446200 /nfs/dbraw/zinc/44/62/00/563446200.db2.gz XWCFDPIVYVFZTA-ZDUSSCGKSA-N 0 0 338.662 4.458 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000002749418 563448873 /nfs/dbraw/zinc/44/88/73/563448873.db2.gz IXLRNWZMUYULBJ-UHFFFAOYSA-N 0 0 331.372 4.115 50 0 EIAARN O=C(COc1cccc2ccccc21)Nc1cc(Cl)ccc1O ZINC000002835499 563453672 /nfs/dbraw/zinc/45/36/72/563453672.db2.gz ZPBSFODQHDWNQW-UHFFFAOYSA-N 0 0 327.767 4.216 50 0 EIAARN CCCCOc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000002837849 563454027 /nfs/dbraw/zinc/45/40/27/563454027.db2.gz CLADGHMFLNLRKU-UHFFFAOYSA-N 0 0 327.468 4.420 50 0 EIAARN Cc1cc(C)c(NC(=O)CN2c3cccc4cccc(c34)C2=O)c(C)c1 ZINC000002842289 563454931 /nfs/dbraw/zinc/45/49/31/563454931.db2.gz YDDMYWOKSXGNJG-UHFFFAOYSA-N 0 0 344.414 4.364 50 0 EIAARN O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CCCC1 ZINC000002867871 563458407 /nfs/dbraw/zinc/45/84/07/563458407.db2.gz YYNVMHJYMWNLDR-UHFFFAOYSA-N 0 0 337.810 4.186 50 0 EIAARN CCCOc1cc(C)c(S(=O)(=O)NC2CCCCCC2)cc1C ZINC000002869595 563458729 /nfs/dbraw/zinc/45/87/29/563458729.db2.gz WOJXEIWJFBCMHY-UHFFFAOYSA-N 0 0 339.501 4.093 50 0 EIAARN CCCCSc1nnc2c(n1)O[C@@](C)(CC)Nc1ccccc1-2 ZINC000002915262 563463131 /nfs/dbraw/zinc/46/31/31/563463131.db2.gz ZUCQTPFECGHHOP-KRWDZBQOSA-N 0 0 330.457 4.361 50 0 EIAARN CC(C)COc1ccccc1-c1nc(C(=O)N2CCCC2)cs1 ZINC000034714534 563463938 /nfs/dbraw/zinc/46/39/38/563463938.db2.gz CPDDXEUVKXKHIJ-UHFFFAOYSA-N 0 0 330.453 4.081 50 0 EIAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(CC)cc2)cc1 ZINC000002983990 563466284 /nfs/dbraw/zinc/46/62/84/563466284.db2.gz ZVNWNYQVCTYADW-UHFFFAOYSA-N 0 0 342.464 4.165 50 0 EIAARN CCCCc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 ZINC000003002958 563469495 /nfs/dbraw/zinc/46/94/95/563469495.db2.gz OJTWLUARQHYPJM-UHFFFAOYSA-N 0 0 326.465 4.464 50 0 EIAARN Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(C)cc3C)C2=O)cc1 ZINC000003079896 563471370 /nfs/dbraw/zinc/47/13/70/563471370.db2.gz VPBMVIUHUWORQO-MRXNPFEDSA-N 0 0 326.421 4.250 50 0 EIAARN COc1ccccc1-c1n[nH]c(CC(C)C)c1NC(=O)C1CCCC1 ZINC000034796346 563480614 /nfs/dbraw/zinc/48/06/14/563480614.db2.gz NBVIWYUYDYEIEJ-UHFFFAOYSA-N 0 0 341.455 4.413 50 0 EIAARN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)C(C)(C)C)c1 ZINC000034796181 563480619 /nfs/dbraw/zinc/48/06/19/563480619.db2.gz JNNMXBUDBCXESV-UHFFFAOYSA-N 0 0 329.444 4.268 50 0 EIAARN CCCCC(=O)Nc1c(-c2ccc(OC)cc2)nc2ccc(C)cn21 ZINC000034912807 563484923 /nfs/dbraw/zinc/48/49/23/563484923.db2.gz CCXCNXQPLIMYRQ-UHFFFAOYSA-N 0 0 337.423 4.447 50 0 EIAARN O=C(Nc1c(Cc2ccccc2)nc2ccccn21)c1cccc(F)c1 ZINC000034913095 563485165 /nfs/dbraw/zinc/48/51/65/563485165.db2.gz OAWQHKFYCPLQBF-UHFFFAOYSA-N 0 0 345.377 4.317 50 0 EIAARN CCc1nnc([C@@H](C)Sc2nnc(CCC3CCCCC3)o2)o1 ZINC000071893969 563488165 /nfs/dbraw/zinc/48/81/65/563488165.db2.gz IEKGUMGPUPWOHN-LLVKDONJSA-N 0 0 336.461 4.381 50 0 EIAARN COc1ccc(C(=O)CSc2ncnc3sc(C)c(C)c32)cc1 ZINC000004184614 563497248 /nfs/dbraw/zinc/49/72/48/563497248.db2.gz OLVFBRINRKFZKV-UHFFFAOYSA-N 0 0 344.461 4.292 50 0 EIAARN Cc1cc(NCCc2ccccc2)n2ncc(-c3ccccc3)c2n1 ZINC000005562456 563539982 /nfs/dbraw/zinc/53/99/82/563539982.db2.gz SFWLNFAQUMLVJM-UHFFFAOYSA-N 0 0 328.419 4.359 50 0 EIAARN Cc1cccc(C)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000005598841 563542168 /nfs/dbraw/zinc/54/21/68/563542168.db2.gz RGKQCTIRYOUJAG-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN COc1cc(C=O)cc(Cl)c1OC(=O)c1ccccc1Cl ZINC000005661073 563544071 /nfs/dbraw/zinc/54/40/71/563544071.db2.gz XIKLGWSCRJITAD-UHFFFAOYSA-N 0 0 325.147 4.034 50 0 EIAARN Cc1ccc(CNS(=O)(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000005745719 563548783 /nfs/dbraw/zinc/54/87/83/563548783.db2.gz YYZCWFORUDAGRE-OUKQBFOZSA-N 0 0 329.465 4.209 50 0 EIAARN Cc1nnc([C@@H](C)Nc2ccc(OCc3cccnc3)c(Cl)c2)o1 ZINC000071902459 563555066 /nfs/dbraw/zinc/55/50/66/563555066.db2.gz HLVZKENEYAESOF-LLVKDONJSA-N 0 0 344.802 4.179 50 0 EIAARN CSc1ccc(Cl)c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000071905547 563562590 /nfs/dbraw/zinc/56/25/90/563562590.db2.gz FPAOONKHADHWSY-UHFFFAOYSA-N 0 0 344.827 4.099 50 0 EIAARN Cc1ccc(C(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)cc1 ZINC000006556697 563571824 /nfs/dbraw/zinc/57/18/24/563571824.db2.gz SNEPWSWNLRFGBW-UHFFFAOYSA-N 0 0 343.839 4.409 50 0 EIAARN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)C1CCCC1 ZINC000071909690 563575131 /nfs/dbraw/zinc/57/51/31/563575131.db2.gz OPJMFONEBCYLHX-QHCPKHFHSA-N 0 0 333.497 4.397 50 0 EIAARN COC(=O)[C@@H](C)N(C(=O)CC1CCCCC1)c1c(C)cccc1C ZINC000006667444 563577126 /nfs/dbraw/zinc/57/71/26/563577126.db2.gz SPXURWBDPLUQJY-MRXNPFEDSA-N 0 0 331.456 4.168 50 0 EIAARN Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccncc1 ZINC000006677850 563577871 /nfs/dbraw/zinc/57/78/71/563577871.db2.gz NMQNPGVHCYTXAP-UHFFFAOYSA-N 0 0 329.812 4.475 50 0 EIAARN Cc1ccc(-c2noc(CNC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000006698007 563578662 /nfs/dbraw/zinc/57/86/62/563578662.db2.gz XPRWDBCCFHLEQF-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN O=C(NCc1ccco1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000006701134 563579697 /nfs/dbraw/zinc/57/96/97/563579697.db2.gz UGJFFFPZJQVSKZ-UHFFFAOYSA-N 0 0 346.180 4.232 50 0 EIAARN CC(C)c1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 ZINC000006701944 563580131 /nfs/dbraw/zinc/58/01/31/563580131.db2.gz MHKZFVFUSCLIDK-UHFFFAOYSA-N 0 0 337.448 4.432 50 0 EIAARN Cc1ccc(-c2noc(CN(C)C(=O)Nc3cccc(C)c3)n2)cc1 ZINC000006744988 563585008 /nfs/dbraw/zinc/58/50/08/563585008.db2.gz GGEDPSFGJLQZKP-UHFFFAOYSA-N 0 0 336.395 4.017 50 0 EIAARN Cc1nn2c(nccc2-c2ccc3c(c2)OCO3)c1-c1ccc(F)cc1 ZINC000006757605 563585753 /nfs/dbraw/zinc/58/57/53/563585753.db2.gz WJFCOLRNIFEOKI-UHFFFAOYSA-N 0 0 347.349 4.240 50 0 EIAARN CCc1c(C)c(C(=O)N[C@H](C)CC)n(Cc2cccc(OC)c2)c1C ZINC000006774850 563586000 /nfs/dbraw/zinc/58/60/00/563586000.db2.gz SSVORXWMVOIABA-CQSZACIVSA-N 0 0 342.483 4.253 50 0 EIAARN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2C)n1 ZINC000006816321 563587524 /nfs/dbraw/zinc/58/75/24/563587524.db2.gz WGVOODLEDWITCY-UHFFFAOYSA-N 0 0 349.459 4.491 50 0 EIAARN Cc1ccccc1NC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000002532776 563588325 /nfs/dbraw/zinc/58/83/25/563588325.db2.gz JXRQJVGSWKACLM-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccccc2F)no1 ZINC000006872735 563589921 /nfs/dbraw/zinc/58/99/21/563589921.db2.gz IOCIXXPKJYTWTO-UHFFFAOYSA-N 0 0 332.718 4.092 50 0 EIAARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1Cl ZINC000007058490 563594615 /nfs/dbraw/zinc/59/46/15/563594615.db2.gz KCFPKMJCALFHOE-JTQLQIEISA-N 0 0 331.828 4.336 50 0 EIAARN Cc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1 ZINC000002638767 563596686 /nfs/dbraw/zinc/59/66/86/563596686.db2.gz HBUCVXKBBXGWDJ-UHFFFAOYSA-N 0 0 337.198 4.213 50 0 EIAARN O=C(Nc1nnc(-c2cccs2)o1)c1cccc(C(F)(F)F)c1 ZINC000002641519 563597520 /nfs/dbraw/zinc/59/75/20/563597520.db2.gz OTICARRAKZKIBS-UHFFFAOYSA-N 0 0 339.298 4.069 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1 ZINC000002641589 563597885 /nfs/dbraw/zinc/59/78/85/563597885.db2.gz JPBLAESNPFFOSB-RMKNXTFCSA-N 0 0 331.784 4.103 50 0 EIAARN CC[C@@H](C)Oc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 ZINC000007342055 563599740 /nfs/dbraw/zinc/59/97/40/563599740.db2.gz FUKKJPDJIVPUIP-IUODEOHRSA-N 0 0 339.391 4.067 50 0 EIAARN CCCC(=O)N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000002688231 563600882 /nfs/dbraw/zinc/60/08/82/563600882.db2.gz NOGMUMDTKVHIEC-LLVKDONJSA-N 0 0 344.069 4.365 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1nnc(SCc2ccccc2)s1 ZINC000002708220 563603598 /nfs/dbraw/zinc/60/35/98/563603598.db2.gz LAQGWCLDFJGOTN-CMDGGOBGSA-N 0 0 343.433 4.075 50 0 EIAARN CCCCC(=O)Nc1cc(C)c(O)c(-c2nc3ncccc3o2)c1 ZINC000007505088 563603710 /nfs/dbraw/zinc/60/37/10/563603710.db2.gz MXNFHJAKVGOHRD-UHFFFAOYSA-N 0 0 325.368 4.033 50 0 EIAARN Cc1cccc(NC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000002762811 563610445 /nfs/dbraw/zinc/61/04/45/563610445.db2.gz WIKJSBYYHRXTFU-UHFFFAOYSA-N 0 0 337.423 4.265 50 0 EIAARN Cc1cc2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)n2n1 ZINC000002786731 563613105 /nfs/dbraw/zinc/61/31/05/563613105.db2.gz FTXZKKVJSNLPHQ-UHFFFAOYSA-N 0 0 343.255 4.325 50 0 EIAARN Cn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1Cl ZINC000002802540 563615588 /nfs/dbraw/zinc/61/55/88/563615588.db2.gz UXRCLARWPTXMQM-UHFFFAOYSA-N 0 0 334.803 4.018 50 0 EIAARN COc1ccccc1Nc1nc(N2CCc3ccccc32)ncc1F ZINC000002886087 563617880 /nfs/dbraw/zinc/61/78/80/563617880.db2.gz DHPLAYQCBZHQKI-UHFFFAOYSA-N 0 0 336.370 4.062 50 0 EIAARN Cc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc(C(C)C)cc1 ZINC000008022418 563619642 /nfs/dbraw/zinc/61/96/42/563619642.db2.gz ABRTVWQUBOZXAJ-UHFFFAOYSA-N 0 0 334.423 4.260 50 0 EIAARN COc1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1 ZINC000002900776 563620065 /nfs/dbraw/zinc/62/00/65/563620065.db2.gz BPYGXSWYYYXKCG-MRXNPFEDSA-N 0 0 336.218 4.149 50 0 EIAARN Cc1noc(C)c1NC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000071920246 563623191 /nfs/dbraw/zinc/62/31/91/563623191.db2.gz MMBGDGDWXOAHES-UHFFFAOYSA-N 0 0 337.782 4.280 50 0 EIAARN C[C@H](CN(C)C(=O)c1ccccc1-c1cncnc1)c1ccccc1 ZINC000071921736 563627193 /nfs/dbraw/zinc/62/71/93/563627193.db2.gz HYHQSMDWOZZDQP-MRXNPFEDSA-N 0 0 331.419 4.019 50 0 EIAARN CC(C)CCNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000008383066 563628599 /nfs/dbraw/zinc/62/85/99/563628599.db2.gz YSTPKMWBOXHEKO-UHFFFAOYSA-N 0 0 329.827 4.347 50 0 EIAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCCCC1 ZINC000003063554 563631889 /nfs/dbraw/zinc/63/18/89/563631889.db2.gz VWMDDKCCNPBTPV-UHFFFAOYSA-N 0 0 336.439 4.012 50 0 EIAARN CC(C)COc1ccccc1NC(=O)c1ccc(Br)o1 ZINC000008723037 563637611 /nfs/dbraw/zinc/63/76/11/563637611.db2.gz SOAGTPKLINYMGZ-UHFFFAOYSA-N 0 0 338.201 4.329 50 0 EIAARN CNC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000008723020 563637628 /nfs/dbraw/zinc/63/76/28/563637628.db2.gz QRWRWRAPQYZNGA-UHFFFAOYSA-N 0 0 344.823 4.167 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1 ZINC000008738686 563638376 /nfs/dbraw/zinc/63/83/76/563638376.db2.gz ZPPDIZKTDFIVBQ-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN CCOc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000008738786 563638448 /nfs/dbraw/zinc/63/84/48/563638448.db2.gz IUWHYTYUDJGENR-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN CC(=O)c1cc(Cl)ccc1OCc1nnc(-c2ccccc2)o1 ZINC000008745583 563639243 /nfs/dbraw/zinc/63/92/43/563639243.db2.gz KLVPXTPNNNAAME-UHFFFAOYSA-N 0 0 328.755 4.172 50 0 EIAARN Cc1cccc2c1N(C(=O)CSc1ncccn1)C(C)(C)C=C2C ZINC000009047179 563641601 /nfs/dbraw/zinc/64/16/01/563641601.db2.gz SSBGOXIIJIWLCE-UHFFFAOYSA-N 0 0 339.464 4.106 50 0 EIAARN CCCOc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000032593356 563662697 /nfs/dbraw/zinc/66/26/97/563662697.db2.gz UCZNLUKURFLALL-UHFFFAOYSA-N 0 0 341.436 4.034 50 0 EIAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C1CCC1 ZINC000012572778 563663489 /nfs/dbraw/zinc/66/34/89/563663489.db2.gz WNYBJMMGFBMSMT-QGZVFWFLSA-N 0 0 337.467 4.111 50 0 EIAARN CC(C)CCc1noc(CN(Cc2ccccc2)CC2CCC2)n1 ZINC000012574649 563663529 /nfs/dbraw/zinc/66/35/29/563663529.db2.gz WPPHLJACYLNABY-UHFFFAOYSA-N 0 0 327.472 4.461 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000012651473 563666821 /nfs/dbraw/zinc/66/68/21/563666821.db2.gz HSZSKHBEONPPNW-UHFFFAOYSA-N 0 0 348.377 4.259 50 0 EIAARN CN(Cc1nc(-c2cccs2)no1)[C@@H]1CCCc2ccccc21 ZINC000012715783 563669030 /nfs/dbraw/zinc/66/90/30/563669030.db2.gz BTHGQLVYPPMODL-OAHLLOKOSA-N 0 0 325.437 4.308 50 0 EIAARN CC(C)(C)c1ccc(OCCNC(=O)Nc2ccccc2F)cc1 ZINC000012793642 563672354 /nfs/dbraw/zinc/67/23/54/563672354.db2.gz FBAOMVPOKQPMHC-UHFFFAOYSA-N 0 0 330.403 4.324 50 0 EIAARN Cc1ccsc1CN(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000012971786 563679264 /nfs/dbraw/zinc/67/92/64/563679264.db2.gz RBWKLVQQNFEHNZ-UHFFFAOYSA-N 0 0 333.844 4.392 50 0 EIAARN COc1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc(OC)c1 ZINC000012982838 563681671 /nfs/dbraw/zinc/68/16/71/563681671.db2.gz VLLKQRAFCVHFQH-UHFFFAOYSA-N 0 0 348.402 4.327 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000012995578 563683313 /nfs/dbraw/zinc/68/33/13/563683313.db2.gz NIKQPNZSLGGEDC-UHFFFAOYSA-N 0 0 338.407 4.397 50 0 EIAARN C[C@@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccc(Cl)cc1 ZINC000012999140 563684536 /nfs/dbraw/zinc/68/45/36/563684536.db2.gz HVVVINKLVTVHIP-SNVBAGLBSA-N 0 0 347.773 4.187 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)cc3F)cnc21 ZINC000013000673 563684769 /nfs/dbraw/zinc/68/47/69/563684769.db2.gz JALIHCRMFUNAHT-UHFFFAOYSA-N 0 0 332.766 4.057 50 0 EIAARN COc1ccc(-c2cc(NC(=O)c3cccc(C)n3)ccc2OC)cc1 ZINC000013011991 563685293 /nfs/dbraw/zinc/68/52/93/563685293.db2.gz VIRPCXSKUVGTBL-UHFFFAOYSA-N 0 0 348.402 4.327 50 0 EIAARN C[C@@H]1CN([C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)C[C@@H](C)O1 ZINC000013071072 563687250 /nfs/dbraw/zinc/68/72/50/563687250.db2.gz MDZVDOLYUVELRM-WHSLLNHNSA-N 0 0 348.446 4.201 50 0 EIAARN CCOc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000013207197 563692016 /nfs/dbraw/zinc/69/20/16/563692016.db2.gz ZSYIRKHONVNTCJ-UHFFFAOYSA-N 0 0 341.411 4.144 50 0 EIAARN CCOc1ccc2ccccc2c1C(=O)Nc1cccc(NC(C)=O)c1 ZINC000013327845 563695688 /nfs/dbraw/zinc/69/56/88/563695688.db2.gz PECITSXCDMDTBG-UHFFFAOYSA-N 0 0 348.402 4.449 50 0 EIAARN CC[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000013329215 563696000 /nfs/dbraw/zinc/69/60/00/563696000.db2.gz FBOJYYRLMNLVKH-SECBINFHSA-N 0 0 329.268 4.263 50 0 EIAARN CN(CCOc1ccccc1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000032716627 563698459 /nfs/dbraw/zinc/69/84/59/563698459.db2.gz HLTJVEWZLRTZKC-UHFFFAOYSA-N 0 0 339.366 4.237 50 0 EIAARN CC(=O)c1cccc(NC(=S)NCCc2ccc(Cl)cc2)c1 ZINC000013497592 563699702 /nfs/dbraw/zinc/69/97/02/563699702.db2.gz RKHVRAPYRZQLEI-UHFFFAOYSA-N 0 0 332.856 4.072 50 0 EIAARN C[C@H](O)c1nc2ccccc2n1CCOc1ccc2ccccc2c1 ZINC000013566035 563702181 /nfs/dbraw/zinc/70/21/81/563702181.db2.gz DKSXSWREQOBNOQ-HNNXBMFYSA-N 0 0 332.403 4.322 50 0 EIAARN COc1ccccc1/C=C(/C(=O)Nc1ccncc1)c1ccccc1 ZINC000032726449 563707878 /nfs/dbraw/zinc/70/78/78/563707878.db2.gz FPEMUMFNGCVURI-XDJHFCHBSA-N 0 0 330.387 4.270 50 0 EIAARN COc1ccc([C@@H](C(C)C)N(C(C)=O)[C@H]2CCOC(C)(C)C2)cc1 ZINC000013681145 563710434 /nfs/dbraw/zinc/71/04/34/563710434.db2.gz GQALBBCARRXNIU-PKOBYXMFSA-N 0 0 333.472 4.198 50 0 EIAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)c1c[nH]c2ccccc21 ZINC000013688127 563711542 /nfs/dbraw/zinc/71/15/42/563711542.db2.gz HXQYVKHFEOUUJL-UHFFFAOYSA-N 0 0 342.811 4.068 50 0 EIAARN CC(C)[C@H](NC(=O)c1cccs1)c1ccc2c(c1)OCCCO2 ZINC000032741416 563721743 /nfs/dbraw/zinc/72/17/43/563721743.db2.gz RGIPGFCSQARROS-KRWDZBQOSA-N 0 0 331.437 4.037 50 0 EIAARN COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)C(C)C)cc1 ZINC000032744674 563722296 /nfs/dbraw/zinc/72/22/96/563722296.db2.gz PKRUTURDMKONIP-UZLBHIALSA-N 0 0 341.451 4.284 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=S)Nc2ccc(C)cc2C)cc1 ZINC000013813676 563724391 /nfs/dbraw/zinc/72/43/91/563724391.db2.gz 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/nfs/dbraw/zinc/73/80/23/563738023.db2.gz ZSPRQKWZBDAPAX-UHFFFAOYSA-N 0 0 326.783 4.362 50 0 EIAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccs1 ZINC000032797225 563738442 /nfs/dbraw/zinc/73/84/42/563738442.db2.gz FSFLOSGLGAYLIT-NSHDSACASA-N 0 0 342.386 4.226 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C(C)C)[nH]1 ZINC000014111508 563741608 /nfs/dbraw/zinc/74/16/08/563741608.db2.gz VXCKJWUCQCMWQC-LLVKDONJSA-N 0 0 328.441 4.081 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C(C)C)[nH]1 ZINC000014111505 563741661 /nfs/dbraw/zinc/74/16/61/563741661.db2.gz VXCKJWUCQCMWQC-NSHDSACASA-N 0 0 328.441 4.081 50 0 EIAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1F ZINC000014141352 563745216 /nfs/dbraw/zinc/74/52/16/563745216.db2.gz GEFMTCFIHCWOKO-UHFFFAOYSA-N 0 0 330.359 4.270 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc2cccnc21 ZINC000014167142 563746335 /nfs/dbraw/zinc/74/63/35/563746335.db2.gz FJKXDIMZGYSDIA-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN O=C1Cc2cc(-c3csc(NCc4ccc(F)cc4)n3)ccc2N1 ZINC000014164725 563746413 /nfs/dbraw/zinc/74/64/13/563746413.db2.gz CIWBONWEXABMSR-UHFFFAOYSA-N 0 0 339.395 4.056 50 0 EIAARN Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1C ZINC000014167856 563746651 /nfs/dbraw/zinc/74/66/51/563746651.db2.gz YZKPWNMQXQWYAJ-UHFFFAOYSA-N 0 0 341.432 4.292 50 0 EIAARN O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2oc(C3CC3)nc2c1 ZINC000032818723 563751530 /nfs/dbraw/zinc/75/15/30/563751530.db2.gz WCHRCKZGGHYYDO-UHFFFAOYSA-N 0 0 332.403 4.375 50 0 EIAARN COc1cccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000014240725 563754028 /nfs/dbraw/zinc/75/40/28/563754028.db2.gz KGLQGBQIPVNVSI-UHFFFAOYSA-N 0 0 347.414 4.455 50 0 EIAARN CCCCCNC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000014247960 563755647 /nfs/dbraw/zinc/75/56/47/563755647.db2.gz KCCXRWCTAXIWKJ-GOSISDBHSA-N 0 0 348.537 4.064 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000014254971 563755890 /nfs/dbraw/zinc/75/58/90/563755890.db2.gz IGJHRSUXLONIRC-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN Cc1nc2cc(NC(=O)c3cc(-c4ccccc4F)on3)ccc2o1 ZINC000032830342 563759229 /nfs/dbraw/zinc/75/92/29/563759229.db2.gz TYLBOMLYXKMWKG-UHFFFAOYSA-N 0 0 337.310 4.183 50 0 EIAARN O=C(CCCc1cccs1)NCCCc1nc2ccccc2s1 ZINC000032843514 563761337 /nfs/dbraw/zinc/76/13/37/563761337.db2.gz VLLVIPMSIQCINU-UHFFFAOYSA-N 0 0 344.505 4.430 50 0 EIAARN Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1Cc1ccccc1 ZINC000014737640 563763864 /nfs/dbraw/zinc/76/38/64/563763864.db2.gz CTICGLUMTUVVMD-UHFFFAOYSA-N 0 0 343.430 4.386 50 0 EIAARN CC(C)c1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 ZINC000032863515 563765780 /nfs/dbraw/zinc/76/57/80/563765780.db2.gz ZSBXLFNXZLFFAS-UHFFFAOYSA-N 0 0 327.409 4.077 50 0 EIAARN Cc1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)o1 ZINC000015011015 563771816 /nfs/dbraw/zinc/77/18/16/563771816.db2.gz VAXNTNIPFQQXKW-VBKFSLOCSA-N 0 0 327.405 4.257 50 0 EIAARN Cc1nn(C)c(C)c1Nc1nc(-c2ccsc2)nc2ccccc21 ZINC000015113565 563778789 /nfs/dbraw/zinc/77/87/89/563778789.db2.gz NBHJTNUVYDYWOW-UHFFFAOYSA-N 0 0 335.436 4.452 50 0 EIAARN Cc1cc(=O)oc2cc(OCCOc3cccc(Cl)c3)ccc12 ZINC000015180141 563779206 /nfs/dbraw/zinc/77/92/06/563779206.db2.gz YHUNYAZKLLBJNF-UHFFFAOYSA-N 0 0 330.767 4.213 50 0 EIAARN Cc1nc(C(=O)Nc2cc(C)ccc2C)nn1-c1ccc(Cl)cc1 ZINC000015190138 563779632 /nfs/dbraw/zinc/77/96/32/563779632.db2.gz JRWJYRMLQHCAJB-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CC(C)c1ccc(CN(C)CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000015299592 563781366 /nfs/dbraw/zinc/78/13/66/563781366.db2.gz IVVYTQDZUGFWNA-HNNXBMFYSA-N 0 0 330.497 4.181 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000015309183 563781904 /nfs/dbraw/zinc/78/19/04/563781904.db2.gz FSPNVLIHSQZYFZ-KRWDZBQOSA-N 0 0 338.451 4.391 50 0 EIAARN Cc1ccc(NC(=O)c2cc(F)cc(F)c2)c(Br)c1 ZINC000015315716 563782471 /nfs/dbraw/zinc/78/24/71/563782471.db2.gz FJEPYRJAGCCZGD-UHFFFAOYSA-N 0 0 326.140 4.288 50 0 EIAARN COc1cc(OC)cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000015394922 563784165 /nfs/dbraw/zinc/78/41/65/563784165.db2.gz CABLVDSTQXFRKC-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN CSc1ccc(Cl)c(C(=O)Nc2cccc(NC(C)=O)c2)c1 ZINC000015421785 563784172 /nfs/dbraw/zinc/78/41/72/563784172.db2.gz UVRLRFIYFDAEAN-UHFFFAOYSA-N 0 0 334.828 4.273 50 0 EIAARN COc1ccc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000015519722 563786155 /nfs/dbraw/zinc/78/61/55/563786155.db2.gz NPZMWPXCUQNCKY-GJZGRUSLSA-N 0 0 329.465 4.096 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000015540400 563786509 /nfs/dbraw/zinc/78/65/09/563786509.db2.gz XKBSETNQHNTIHL-GOSISDBHSA-N 0 0 345.826 4.091 50 0 EIAARN O=C(CCCSc1nccc(C(F)(F)F)n1)c1ccc(F)cc1 ZINC000032903546 563789126 /nfs/dbraw/zinc/78/91/26/563789126.db2.gz FOVKPFKBNOOAPZ-UHFFFAOYSA-N 0 0 344.333 4.390 50 0 EIAARN COc1ccccc1-c1cc2nc(C)cc(N3CCCCCC3)n2n1 ZINC000015670909 563790293 /nfs/dbraw/zinc/79/02/93/563790293.db2.gz RZVSOVYEZFWTBL-UHFFFAOYSA-N 0 0 336.439 4.094 50 0 EIAARN CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccccc21 ZINC000032905693 563791786 /nfs/dbraw/zinc/79/17/86/563791786.db2.gz OMINPKWARLOMCG-KRWDZBQOSA-N 0 0 333.353 4.394 50 0 EIAARN O=C(/C=C\c1ccco1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000015799726 563792657 /nfs/dbraw/zinc/79/26/57/563792657.db2.gz KFAFOQPKASJZAX-KTKRTIGZSA-N 0 0 338.388 4.245 50 0 EIAARN O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1cccnc1 ZINC000015826870 563793045 /nfs/dbraw/zinc/79/30/45/563793045.db2.gz GBWMAKMHHVWDQI-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN COc1cccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)c1 ZINC000015832469 563793404 /nfs/dbraw/zinc/79/34/04/563793404.db2.gz XASBCSZKGJOQLV-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc2ccc(C)nc21 ZINC000015835278 563794102 /nfs/dbraw/zinc/79/41/02/563794102.db2.gz MSGDHWHNBYPCAX-QGZVFWFLSA-N 0 0 338.382 4.478 50 0 EIAARN COc1ccc(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)cc1 ZINC000015839828 563795085 /nfs/dbraw/zinc/79/50/85/563795085.db2.gz NXRUZPHLAGVYCG-OAQYLSRUSA-N 0 0 346.430 4.226 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 ZINC000015841221 563795823 /nfs/dbraw/zinc/79/58/23/563795823.db2.gz CPDPZWDMSSSENU-UHFFFAOYSA-N 0 0 327.409 4.123 50 0 EIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nsnc3c2)c1 ZINC000015841302 563796177 /nfs/dbraw/zinc/79/61/77/563796177.db2.gz PEQZBNPCWOJISA-UHFFFAOYSA-N 0 0 341.436 4.141 50 0 EIAARN O=C(Nc1cc(Cl)ccc1Cl)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000015905914 563799649 /nfs/dbraw/zinc/79/96/49/563799649.db2.gz LKHISVRQKDLVPR-ZACCUICWSA-N 0 0 326.223 4.327 50 0 EIAARN O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccccc1F ZINC000016090228 563803129 /nfs/dbraw/zinc/80/31/29/563803129.db2.gz YBDQNWJCYXMMLD-UHFFFAOYSA-N 0 0 328.364 4.260 50 0 EIAARN Fc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000016276262 563807465 /nfs/dbraw/zinc/80/74/65/563807465.db2.gz WXESZTRLEQKVTA-UHFFFAOYSA-N 0 0 336.451 4.468 50 0 EIAARN COc1ccc(CN(C)Cn2c3ccccc3oc2=S)cc1OC ZINC000016353138 563809239 /nfs/dbraw/zinc/80/92/39/563809239.db2.gz RPCOXPBYUXMRRV-UHFFFAOYSA-N 0 0 344.436 4.070 50 0 EIAARN CCC[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000016420739 563810987 /nfs/dbraw/zinc/81/09/87/563810987.db2.gz DSDSXWCTEZRXQP-YJBOKZPZSA-N 0 0 342.508 4.325 50 0 EIAARN CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000016605885 563817361 /nfs/dbraw/zinc/81/73/61/563817361.db2.gz QKXKNZVCVNPWEA-UHFFFAOYSA-N 0 0 336.435 4.127 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3cc(C)cc(C)c3)c1CO2 ZINC000032920493 563823349 /nfs/dbraw/zinc/82/33/49/563823349.db2.gz IDSDQFUUBAIAJX-UHFFFAOYSA-N 0 0 334.375 4.412 50 0 EIAARN COc1ccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)cc1 ZINC000016954138 563826757 /nfs/dbraw/zinc/82/67/57/563826757.db2.gz IVCYEATXYODJDA-UHFFFAOYSA-N 0 0 327.359 4.065 50 0 EIAARN CSc1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 ZINC000016985215 563828073 /nfs/dbraw/zinc/82/80/73/563828073.db2.gz GKMOBJAVGSZFOZ-UHFFFAOYSA-N 0 0 327.449 4.095 50 0 EIAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccn1 ZINC000017067921 563832041 /nfs/dbraw/zinc/83/20/41/563832041.db2.gz KPYKEGWPHXWGJW-UHFFFAOYSA-N 0 0 330.844 4.306 50 0 EIAARN CCCCC[C@@H](C)NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000017068454 563832420 /nfs/dbraw/zinc/83/24/20/563832420.db2.gz QIRQFUZCEDDFDO-CYBMUJFWSA-N 0 0 332.469 4.357 50 0 EIAARN CN1C(=S)N=NC1c1ccc(COc2ccc3ccccc3c2)o1 ZINC000017070898 563833461 /nfs/dbraw/zinc/83/34/61/563833461.db2.gz XYHXWFMHEGOJTG-UHFFFAOYSA-N 0 0 337.404 4.096 50 0 EIAARN COc1ccc(-c2cc(C(=O)Nc3nc(C(C)C)cs3)on2)cc1 ZINC000017071674 563834918 /nfs/dbraw/zinc/83/49/18/563834918.db2.gz ATBXZXXAFBRAHH-UHFFFAOYSA-N 0 0 343.408 4.182 50 0 EIAARN O=c1c2ccccc2nc2sc(-c3cc(Cl)ccc3Cl)nn21 ZINC000017072335 563836143 /nfs/dbraw/zinc/83/61/43/563836143.db2.gz YXPSFMTXMXZKJA-UHFFFAOYSA-N 0 0 348.214 4.278 50 0 EIAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1cccnc1 ZINC000017169002 563839125 /nfs/dbraw/zinc/83/91/25/563839125.db2.gz NBPZTMQAMQXXOQ-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN COC(=O)c1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1 ZINC000017179808 563839500 /nfs/dbraw/zinc/83/95/00/563839500.db2.gz YFJDSQQSNYMVOP-JYRVWZFOSA-N 0 0 345.401 4.062 50 0 EIAARN C[C@H](NC(=O)Cc1ccccc1Cl)c1cccc(OC(F)F)c1 ZINC000032930435 563840975 /nfs/dbraw/zinc/84/09/75/563840975.db2.gz DARJLVXBGPCKCG-NSHDSACASA-N 0 0 339.769 4.361 50 0 EIAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccccc1Cl ZINC000032930544 563841336 /nfs/dbraw/zinc/84/13/36/563841336.db2.gz WRDFXXQSJJJRLA-UHFFFAOYSA-N 0 0 338.794 4.457 50 0 EIAARN CC(C)(CNC(=O)[C@@H]1CC=CCC1)c1ccc(Br)cc1 ZINC000032931319 563842629 /nfs/dbraw/zinc/84/26/29/563842629.db2.gz WMWCUTRGJXOGGE-CYBMUJFWSA-N 0 0 336.273 4.199 50 0 EIAARN N#CC(C#N)=C1c2ccccc2N(Cc2ccc3ccccc3c2)C1=O ZINC000001320732 563855507 /nfs/dbraw/zinc/85/55/07/563855507.db2.gz PSFUCCUGOYNZOK-UHFFFAOYSA-N 0 0 335.366 4.187 50 0 EIAARN Clc1cc(Cn2cc(-c3ccccc3)cn2)cc2c1OCCO2 ZINC000072035586 563860632 /nfs/dbraw/zinc/86/06/32/563860632.db2.gz OITDSCXEDILIFN-UHFFFAOYSA-N 0 0 326.783 4.023 50 0 EIAARN COc1ccc(OC)c(NC(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000043280221 563861597 /nfs/dbraw/zinc/86/15/97/563861597.db2.gz UOEVMDDJUQLYHG-UHFFFAOYSA-N 0 0 334.803 4.021 50 0 EIAARN CSc1ccccc1-c1nnc(NC(=O)c2ccccc2C)o1 ZINC000005240193 563861606 /nfs/dbraw/zinc/86/16/06/563861606.db2.gz ONOYXRYMVYCUGT-UHFFFAOYSA-N 0 0 325.393 4.019 50 0 EIAARN Nc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1Cl ZINC000032947359 563864153 /nfs/dbraw/zinc/86/41/53/563864153.db2.gz CMGKCZWEFUWKFO-UHFFFAOYSA-N 0 0 329.812 4.353 50 0 EIAARN CC(C)CC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1N ZINC000032947859 563864679 /nfs/dbraw/zinc/86/46/79/563864679.db2.gz JHALYBVTURNKEC-UHFFFAOYSA-N 0 0 327.812 4.490 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)Cc1ccco1 ZINC000023992913 563867936 /nfs/dbraw/zinc/86/79/36/563867936.db2.gz OYMWIHISJSSTIO-JTQLQIEISA-N 0 0 327.211 4.045 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(C)o1 ZINC000024033227 563868478 /nfs/dbraw/zinc/86/84/78/563868478.db2.gz BBSSIWXBQVEBNK-UHFFFAOYSA-N 0 0 340.404 4.463 50 0 EIAARN Cc1noc(C)c1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000069896698 563869684 /nfs/dbraw/zinc/86/96/84/563869684.db2.gz OXMQNANECFBJID-FQEVSTJZSA-N 0 0 347.418 4.034 50 0 EIAARN CC(C)c1cc(NC(=O)CNC(c2ccccc2)c2ccccc2)on1 ZINC000024219433 563869817 /nfs/dbraw/zinc/86/98/17/563869817.db2.gz PYBMUXXTWMWXMH-UHFFFAOYSA-N 0 0 349.434 4.116 50 0 EIAARN COc1ccc(C)cc1NC(=O)Cc1nc(-c2cccs2)oc1C ZINC000024354390 563870975 /nfs/dbraw/zinc/87/09/75/563870975.db2.gz UTXFOXOIMPACPY-UHFFFAOYSA-N 0 0 342.420 4.210 50 0 EIAARN Cc1oc(-c2cccs2)nc1Cn1cnc2cc(F)c(F)cc21 ZINC000024427721 563871405 /nfs/dbraw/zinc/87/14/05/563871405.db2.gz WFRGCKKYJZFMMZ-UHFFFAOYSA-N 0 0 331.347 4.388 50 0 EIAARN CCN(C(=O)Cc1nc(-c2cccs2)oc1C)c1ccccc1 ZINC000024502370 563872028 /nfs/dbraw/zinc/87/20/28/563872028.db2.gz QAPBXCSPBCUVGE-UHFFFAOYSA-N 0 0 326.421 4.307 50 0 EIAARN O=C(COC(=O)c1cc2c(cccc2F)s1)NC1CCCCCC1 ZINC000024728148 563874845 /nfs/dbraw/zinc/87/48/45/563874845.db2.gz AVQVROIEYVJHBN-UHFFFAOYSA-N 0 0 349.427 4.036 50 0 EIAARN CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024768753 563875521 /nfs/dbraw/zinc/87/55/21/563875521.db2.gz LGUTZHLVBDJJCR-UHFFFAOYSA-N 0 0 332.275 4.045 50 0 EIAARN Cc1cc(C)n(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000024828813 563876082 /nfs/dbraw/zinc/87/60/82/563876082.db2.gz NHZKKQTXVXAEMH-UHFFFAOYSA-N 0 0 345.752 4.201 50 0 EIAARN Cc1nc(NC(=O)C[C@H]2C=CCC2)sc1-c1nccn1C(F)F ZINC000024987437 563879125 /nfs/dbraw/zinc/87/91/25/563879125.db2.gz YWNBCHMQCQJLMH-JTQLQIEISA-N 0 0 338.383 4.005 50 0 EIAARN CCOc1cccc2cc([C@@H](C)NC(=O)c3[nH]nc4ccccc43)oc21 ZINC000025139524 563881394 /nfs/dbraw/zinc/88/13/94/563881394.db2.gz CUAKAHKUGCMBPV-GFCCVEGCSA-N 0 0 349.390 4.199 50 0 EIAARN CC(C)[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 ZINC000025159076 563881921 /nfs/dbraw/zinc/88/19/21/563881921.db2.gz SBAMSOBELZIFLE-IBGZPJMESA-N 0 0 337.398 4.139 50 0 EIAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3cccc(C)c3)cc2s1 ZINC000025425840 563884668 /nfs/dbraw/zinc/88/46/68/563884668.db2.gz UGEBINYSIAGVRJ-GFCCVEGCSA-N 0 0 325.437 4.352 50 0 EIAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2O1 ZINC000025623399 563886783 /nfs/dbraw/zinc/88/67/83/563886783.db2.gz PIHYXGFZZJJXRG-RBBKRZOGSA-N 0 0 343.426 4.090 50 0 EIAARN O=C(C[C@H]1C=CCC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000025910462 563888893 /nfs/dbraw/zinc/88/88/93/563888893.db2.gz JKPZOIDHCSJDSS-LSDHHAIUSA-N 0 0 342.464 4.165 50 0 EIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCC3)c(C)c2)c1 ZINC000025925872 563889262 /nfs/dbraw/zinc/88/92/62/563889262.db2.gz WCVVCPQNOQWFDB-UHFFFAOYSA-N 0 0 338.451 4.230 50 0 EIAARN O=C(NCCc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000025989006 563889651 /nfs/dbraw/zinc/88/96/51/563889651.db2.gz JDXYWEXCRHEICG-UHFFFAOYSA-N 0 0 340.442 4.033 50 0 EIAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCC1CCC1 ZINC000026141177 563890208 /nfs/dbraw/zinc/89/02/08/563890208.db2.gz JVQVMEPUXWKBCX-UHFFFAOYSA-N 0 0 348.450 4.209 50 0 EIAARN CC(=O)c1c(C)cc(C)c(CNc2ccc(Cl)c(C(N)=O)c2)c1C ZINC000026785795 563893161 /nfs/dbraw/zinc/89/31/61/563893161.db2.gz RLQXVONEQKCKMI-UHFFFAOYSA-N 0 0 344.842 4.179 50 0 EIAARN COC(=O)c1cc(NC(=O)c2cc(C)n(C3CC3)c2C)ccc1Cl ZINC000026882623 563893872 /nfs/dbraw/zinc/89/38/72/563893872.db2.gz YJNZOHXPJWQPHW-UHFFFAOYSA-N 0 0 346.814 4.132 50 0 EIAARN COc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)c1 ZINC000026894639 563893975 /nfs/dbraw/zinc/89/39/75/563893975.db2.gz GICRIQQPXPKWNB-DLBZAZTESA-N 0 0 340.814 4.086 50 0 EIAARN O=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc21 ZINC000026939986 563894074 /nfs/dbraw/zinc/89/40/74/563894074.db2.gz BRIYPKMAYOANGY-UHFFFAOYSA-N 0 0 343.386 4.461 50 0 EIAARN Cc1ccc(CCCNC(=O)c2nc(Cl)ccc2Cl)c(C)c1 ZINC000026911463 563894156 /nfs/dbraw/zinc/89/41/56/563894156.db2.gz LEPMIJGKQOHVDM-UHFFFAOYSA-N 0 0 337.250 4.368 50 0 EIAARN CCCc1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)s1 ZINC000027794651 563899684 /nfs/dbraw/zinc/89/96/84/563899684.db2.gz WOQJQKBYHSNPLU-UHFFFAOYSA-N 0 0 346.239 4.058 50 0 EIAARN O=C(Cc1coc(-c2ccccc2)n1)Nc1ccccc1N1CCCC1 ZINC000028009714 563901118 /nfs/dbraw/zinc/90/11/18/563901118.db2.gz VIZLTZKXOOVJSN-UHFFFAOYSA-N 0 0 347.418 4.123 50 0 EIAARN Cc1nc2ccccc2nc1SCc1nnc(-c2cccs2)o1 ZINC000028191130 563901502 /nfs/dbraw/zinc/90/15/02/563901502.db2.gz QUUNDLCOPUOXDW-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c(C)c1 ZINC000028683293 563903693 /nfs/dbraw/zinc/90/36/93/563903693.db2.gz HRJVLUFHAFCVSO-CQSZACIVSA-N 0 0 343.496 4.244 50 0 EIAARN C[C@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)cn1 ZINC000028805367 563904047 /nfs/dbraw/zinc/90/40/47/563904047.db2.gz VAMQWEYJEPSTOZ-LBPRGKRZSA-N 0 0 329.831 4.053 50 0 EIAARN Cn1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000028802949 563904116 /nfs/dbraw/zinc/90/41/16/563904116.db2.gz XYAJIVCHUJTIAI-UHFFFAOYSA-N 0 0 345.324 4.358 50 0 EIAARN CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1 ZINC000028923938 563904639 /nfs/dbraw/zinc/90/46/39/563904639.db2.gz GQZBPJAXCBTTMH-IBGZPJMESA-N 0 0 336.366 4.210 50 0 EIAARN O=C(CNc1ccc(OC(F)F)cc1)Nc1cccc2ccccc21 ZINC000029396984 563906265 /nfs/dbraw/zinc/90/62/65/563906265.db2.gz FGUQJIQVDAURGN-UHFFFAOYSA-N 0 0 342.345 4.492 50 0 EIAARN Cc1ccc([C@H](NC(=O)Nc2nnc(C3CC3)s2)C(C)(C)C)o1 ZINC000072284974 563906349 /nfs/dbraw/zinc/90/63/49/563906349.db2.gz HDYODOHIVRNISQ-LBPRGKRZSA-N 0 0 334.445 4.226 50 0 EIAARN CCCc1noc(CCC(=O)N2CCCCC[C@H]2c2ccc(C)o2)n1 ZINC000072291603 563908981 /nfs/dbraw/zinc/90/89/81/563908981.db2.gz NFGZLHNAAOPFLP-HNNXBMFYSA-N 0 0 345.443 4.000 50 0 EIAARN Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc4ccccc4c3)cc12 ZINC000030397763 563909779 /nfs/dbraw/zinc/90/97/79/563909779.db2.gz KRERMKGPHUCECX-LBPRGKRZSA-N 0 0 331.375 4.175 50 0 EIAARN CCSc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000030751850 563910401 /nfs/dbraw/zinc/91/04/01/563910401.db2.gz RHZAEQUSFHPIMW-UHFFFAOYSA-N 0 0 347.436 4.077 50 0 EIAARN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1 ZINC000030753945 563910522 /nfs/dbraw/zinc/91/05/22/563910522.db2.gz MSZRBKIKLZYXIO-HNNXBMFYSA-N 0 0 338.234 4.467 50 0 EIAARN Cc1sc(-c2ccco2)nc1C(=O)N(C)Cc1ccc(F)cc1F ZINC000030803164 563910718 /nfs/dbraw/zinc/91/07/18/563910718.db2.gz CJDUDFUWBGCBKT-UHFFFAOYSA-N 0 0 348.374 4.262 50 0 EIAARN Cc1noc2ncc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc12 ZINC000030894427 563911603 /nfs/dbraw/zinc/91/16/03/563911603.db2.gz XNEQEEDEYOMPMW-UHFFFAOYSA-N 0 0 341.370 4.355 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2nsnc2c1 ZINC000030948378 563911845 /nfs/dbraw/zinc/91/18/45/563911845.db2.gz AKXLPJNIFYGLKK-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN CO[C@@H](CNC(=O)CCc1cccc(C)c1)c1ccc(Cl)cc1 ZINC000072296784 563912574 /nfs/dbraw/zinc/91/25/74/563912574.db2.gz IGYUWFCLOAPNFT-SFHVURJKSA-N 0 0 331.843 4.085 50 0 EIAARN O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccncc1 ZINC000032088953 563913270 /nfs/dbraw/zinc/91/32/70/563913270.db2.gz TUCCUDYZQWGKBU-UHFFFAOYSA-N 0 0 342.358 4.051 50 0 EIAARN CCc1cc2c(ncnc2N[C@H](CC)[C@H](O)c2ccccc2F)s1 ZINC000072304144 563914387 /nfs/dbraw/zinc/91/43/87/563914387.db2.gz DPUCJKPCUQBSID-HZPDHXFCSA-N 0 0 345.443 4.317 50 0 EIAARN CC(=O)c1ccc(NC(=O)CCSc2nc3ccccc3o2)cc1 ZINC000032870981 563914416 /nfs/dbraw/zinc/91/44/16/563914416.db2.gz FSHGHNQCHWCKPE-UHFFFAOYSA-N 0 0 340.404 4.151 50 0 EIAARN COc1cccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1OC ZINC000071279259 563915450 /nfs/dbraw/zinc/91/54/50/563915450.db2.gz UKUDAPYBJBICNC-AWEZNQCLSA-N 0 0 341.411 4.139 50 0 EIAARN CC(C)c1cc([C@H]2CCCN2C(=O)Cc2ccccc2Cl)on1 ZINC000033270078 563915548 /nfs/dbraw/zinc/91/55/48/563915548.db2.gz WUCFJJCUJTVIEH-MRXNPFEDSA-N 0 0 332.831 4.358 50 0 EIAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000033269885 563915552 /nfs/dbraw/zinc/91/55/52/563915552.db2.gz ULHRXWGPPPWMMT-AWEZNQCLSA-N 0 0 340.757 4.200 50 0 EIAARN COc1ccc(/C=C2/SC(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000033319507 563915836 /nfs/dbraw/zinc/91/58/36/563915836.db2.gz MCLDGTKCQQMPBX-LFIBNONCSA-N 0 0 325.389 4.245 50 0 EIAARN O=C(Nc1cnccc1-c1cccc(F)c1)[C@@H]1CCOc2ccccc21 ZINC000177545499 563916287 /nfs/dbraw/zinc/91/62/87/563916287.db2.gz WMIHRRCZTULXIZ-GOSISDBHSA-N 0 0 348.377 4.393 50 0 EIAARN O=C1c2ccc(-c3nc4ccccc4o3)cc2C(=O)N1c1ccccc1 ZINC000022206005 563918602 /nfs/dbraw/zinc/91/86/02/563918602.db2.gz OOAKBHCUHNDFNU-UHFFFAOYSA-N 0 0 340.338 4.295 50 0 EIAARN C[C@@H](OC(=O)Cc1ccc(F)cc1F)C(Cl)=C(Cl)Cl ZINC000023115371 563918682 /nfs/dbraw/zinc/91/86/82/563918682.db2.gz GGUGGJKTOXEQNT-ZCFIWIBFSA-N 0 0 329.557 4.325 50 0 EIAARN Cc1ccc(N)c(N(Cc2ccccc2)C(=O)c2cccc(N)c2)c1 ZINC000003466318 563918784 /nfs/dbraw/zinc/91/87/84/563918784.db2.gz GKBDUIJKLRSXKT-UHFFFAOYSA-N 0 0 331.419 4.006 50 0 EIAARN Cn1cccc1[C@H]1CCCCN1c1ncnc2c3ccccc3oc21 ZINC000072310214 563919211 /nfs/dbraw/zinc/91/92/11/563919211.db2.gz YFYPGFHCXHWTHP-MRXNPFEDSA-N 0 0 332.407 4.446 50 0 EIAARN FC(F)(F)c1nn2cc(-c3ccc(Br)cc3)nc2s1 ZINC000033505389 563920089 /nfs/dbraw/zinc/92/00/89/563920089.db2.gz KSOBBFUKPBATOA-UHFFFAOYSA-N 0 0 348.147 4.239 50 0 EIAARN Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)c(C)o1 ZINC000075602438 563921446 /nfs/dbraw/zinc/92/14/46/563921446.db2.gz AMRCOYDTRVKAHQ-XHDPSFHLSA-N 0 0 349.862 4.059 50 0 EIAARN Cc1csc(-c2ccc(CNC(=O)Cc3cccc(F)c3)cc2)n1 ZINC000097938066 563922678 /nfs/dbraw/zinc/92/26/78/563922678.db2.gz VGPYTGPCSGQMIS-UHFFFAOYSA-N 0 0 340.423 4.117 50 0 EIAARN CC(=O)c1ccc(Nc2nc3ccccc3c(N3CCCC3)n2)cc1 ZINC000041148159 563924337 /nfs/dbraw/zinc/92/43/37/563924337.db2.gz RQDXWVVVOHNWBQ-UHFFFAOYSA-N 0 0 332.407 4.176 50 0 EIAARN CCc1noc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)n1 ZINC000033012803 563925664 /nfs/dbraw/zinc/92/56/64/563925664.db2.gz JWMQHBJQQLGFLG-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN CC(=O)Nc1nc2cc(NC(=O)CCC3CCCC3)ccc2s1 ZINC000033020041 563928803 /nfs/dbraw/zinc/92/88/03/563928803.db2.gz QFLJJKVZSXPZCS-UHFFFAOYSA-N 0 0 331.441 4.164 50 0 EIAARN CCC(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000033020223 563928879 /nfs/dbraw/zinc/92/88/79/563928879.db2.gz OWYMUSWXKPWIKT-UHFFFAOYSA-N 0 0 331.441 4.164 50 0 EIAARN Fc1c(F)c(F)c(CSc2nc(Cl)ns2)c(F)c1F ZINC000048056668 563929937 /nfs/dbraw/zinc/92/99/37/563929937.db2.gz BJXVHQQJKLIQAS-UHFFFAOYSA-N 0 0 332.706 4.179 50 0 EIAARN O=C(N[C@H]1CCCc2ccccc21)c1noc2c1COc1ccccc1-2 ZINC000033028812 563931644 /nfs/dbraw/zinc/93/16/44/563931644.db2.gz JCCUYTWHHZHPDN-KRWDZBQOSA-N 0 0 346.386 4.041 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000055060411 563933468 /nfs/dbraw/zinc/93/34/68/563933468.db2.gz XRTMGOWYFBOQIC-RMKNXTFCSA-N 0 0 349.478 4.166 50 0 EIAARN CCc1ccccc1Nc1nc(C)c(C(=O)n2nc(C)cc2C)s1 ZINC000057352039 563935584 /nfs/dbraw/zinc/93/55/84/563935584.db2.gz UXSDGOOOQVVPHW-UHFFFAOYSA-N 0 0 340.452 4.259 50 0 EIAARN O=C(C[C@H]1C=CCC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000060369740 563935938 /nfs/dbraw/zinc/93/59/38/563935938.db2.gz QHFRKFBANUQGIP-RDJZCZTQSA-N 0 0 337.423 4.147 50 0 EIAARN CCCCN(C)c1ccc(C(=O)N2CCc3sccc3C2)cc1 ZINC000058023450 563936828 /nfs/dbraw/zinc/93/68/28/563936828.db2.gz DVGRSDUCZKZVHJ-UHFFFAOYSA-N 0 0 328.481 4.183 50 0 EIAARN O=C(NCc1ccccn1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000058054946 563937070 /nfs/dbraw/zinc/93/70/70/563937070.db2.gz VXNCTWLOSSTVRV-LJQANCHMSA-N 0 0 349.459 4.000 50 0 EIAARN O=C(N[C@H]1CCCc2nc(-c3ccccc3)sc21)c1ccncc1 ZINC000058115490 563937566 /nfs/dbraw/zinc/93/75/66/563937566.db2.gz QZWAYOBLNLNMLO-HNNXBMFYSA-N 0 0 335.432 4.013 50 0 EIAARN Cc1ccc(CC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000058138806 563937720 /nfs/dbraw/zinc/93/77/20/563937720.db2.gz OSPRRYYORDFRLR-UHFFFAOYSA-N 0 0 325.799 4.015 50 0 EIAARN O=C(Nc1ccc(N2CCCC2=O)cc1)NC1CCCCCCC1 ZINC000058158732 563938161 /nfs/dbraw/zinc/93/81/61/563938161.db2.gz BIMJSVKMVZVOHQ-UHFFFAOYSA-N 0 0 329.444 4.048 50 0 EIAARN C[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000058167229 563938721 /nfs/dbraw/zinc/93/87/21/563938721.db2.gz WXNDFKXIAJAKMC-GWCFXTLKSA-N 0 0 340.250 4.071 50 0 EIAARN Cc1ncc(CN(C)C(=O)Nc2ccc(-c3nccs3)cc2)s1 ZINC000058168191 563938911 /nfs/dbraw/zinc/93/89/11/563938911.db2.gz OMDYUDYPPFGXIZ-UHFFFAOYSA-N 0 0 344.465 4.239 50 0 EIAARN O=S(=O)(c1cccc(Cl)c1)N(C1CCCC1)C1CCCC1 ZINC000058182902 563939272 /nfs/dbraw/zinc/93/92/72/563939272.db2.gz HELVTEUDHWGJAC-UHFFFAOYSA-N 0 0 327.877 4.216 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000058226612 563940347 /nfs/dbraw/zinc/94/03/47/563940347.db2.gz BLDQDLSHJDHVDA-QGHHPUGFSA-N 0 0 332.831 4.316 50 0 EIAARN O=C(NC[C@@H](O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000058265297 563941072 /nfs/dbraw/zinc/94/10/72/563941072.db2.gz KAGSHTPJNCUGCE-CQSZACIVSA-N 0 0 344.625 4.110 50 0 EIAARN Cc1nccn1-c1ccccc1CNC(=O)Nc1c(C)cccc1C ZINC000058307575 563942202 /nfs/dbraw/zinc/94/22/02/563942202.db2.gz VPRVFKLLHYTRTF-UHFFFAOYSA-N 0 0 334.423 4.119 50 0 EIAARN Cc1noc(C)c1CN(Cc1c(C)noc1C)[C@H](C)c1ccccn1 ZINC000058366847 563943902 /nfs/dbraw/zinc/94/39/02/563943902.db2.gz YYJNCFLWSICMGJ-CQSZACIVSA-N 0 0 340.427 4.055 50 0 EIAARN Cc1[nH]c2c(cccc2C(=O)Oc2ccc(N3CCCC3=O)cc2)c1C ZINC000058379139 563944320 /nfs/dbraw/zinc/94/43/20/563944320.db2.gz MDARCCANJCZZKR-UHFFFAOYSA-N 0 0 348.402 4.131 50 0 EIAARN COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(OC)nc1 ZINC000058391133 563944523 /nfs/dbraw/zinc/94/45/23/563944523.db2.gz 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/nfs/dbraw/zinc/94/93/12/563949312.db2.gz RMWPFTAQDICGCC-LJQANCHMSA-N 0 0 346.434 4.182 50 0 EIAARN C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccncc1 ZINC000096403767 563949987 /nfs/dbraw/zinc/94/99/87/563949987.db2.gz AHUOPBWZFZNZQO-SECBINFHSA-N 0 0 327.281 4.122 50 0 EIAARN CCc1ccc(NC(=O)CN2C[C@@H](C)Sc3ccccc32)cc1 ZINC000033059197 563950147 /nfs/dbraw/zinc/95/01/47/563950147.db2.gz HLEBDSWPKMFWOE-CQSZACIVSA-N 0 0 326.465 4.188 50 0 EIAARN C[C@H]1SCCN(Cc2nnc(-c3ccco3)o2)[C@@H]1c1ccccc1 ZINC000096411493 563950587 /nfs/dbraw/zinc/95/05/87/563950587.db2.gz CKVKMXUGIBCJGF-DYVFJYSZSA-N 0 0 341.436 4.008 50 0 EIAARN CC(C)(C)CN(C(=O)c1ncoc1-c1cccs1)c1cccnc1 ZINC000096411744 563950708 /nfs/dbraw/zinc/95/07/08/563950708.db2.gz RAAQKXDNHKSRAH-UHFFFAOYSA-N 0 0 341.436 4.491 50 0 EIAARN CC[C@@H](c1ccncc1)N(C)C(=O)NCc1cc(Cl)ccc1OC ZINC000096415241 563951101 /nfs/dbraw/zinc/95/11/01/563951101.db2.gz LXGJJDJPBNORBU-INIZCTEOSA-N 0 0 347.846 4.036 50 0 EIAARN CC[C@@H](NC(=O)Nc1nnc(C(F)F)s1)c1cc(F)ccc1F ZINC000096420145 563951430 /nfs/dbraw/zinc/95/14/30/563951430.db2.gz OQNPQGQPFOWXKA-SECBINFHSA-N 0 0 348.325 4.027 50 0 EIAARN COc1ccc(Br)cc1SCc1nc(C)c(C)o1 ZINC000096422246 563952378 /nfs/dbraw/zinc/95/23/78/563952378.db2.gz QEDXZWDWOXUTBW-UHFFFAOYSA-N 0 0 328.231 4.355 50 0 EIAARN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCc2cscn2)o1 ZINC000096433268 563952841 /nfs/dbraw/zinc/95/28/41/563952841.db2.gz BQEKFOZILFVDTB-BBRMVZONSA-N 0 0 332.469 4.231 50 0 EIAARN COCc1ccccc1NC(=O)N1CCSC[C@H]1c1ccc(C)o1 ZINC000096434004 563952915 /nfs/dbraw/zinc/95/29/15/563952915.db2.gz CVBBEWWYLBYDTM-INIZCTEOSA-N 0 0 346.452 4.056 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000096461423 563954061 /nfs/dbraw/zinc/95/40/61/563954061.db2.gz VQMAMVDNFOAMED-YOEHRIQHSA-N 0 0 338.411 4.065 50 0 EIAARN Cc1ccccc1-c1nc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)no1 ZINC000096471493 563954672 /nfs/dbraw/zinc/95/46/72/563954672.db2.gz CVISHJYCBKGXMF-RKNYENMMSA-N 0 0 344.411 4.194 50 0 EIAARN CC1(NC(=O)Nc2ccc(F)c(NC(=O)c3ccsc3)c2)CCC1 ZINC000096484481 563955323 /nfs/dbraw/zinc/95/53/23/563955323.db2.gz QQOJEJNSAWDJQA-UHFFFAOYSA-N 0 0 347.415 4.204 50 0 EIAARN COc1cccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)c1OC ZINC000064667111 563956998 /nfs/dbraw/zinc/95/69/98/563956998.db2.gz JNPRTTLPGOJZPJ-MRXNPFEDSA-N 0 0 330.428 4.152 50 0 EIAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2OC)no1 ZINC000064984748 563957808 /nfs/dbraw/zinc/95/78/08/563957808.db2.gz KQGDYTRPCNYDJG-INIZCTEOSA-N 0 0 329.400 4.005 50 0 EIAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(CC)no2)cc1 ZINC000064984988 563957813 /nfs/dbraw/zinc/95/78/13/563957813.db2.gz IGBNVZNXHIFSKX-MRXNPFEDSA-N 0 0 329.400 4.005 50 0 EIAARN COc1ccc(C(C)C)cc1[C@@H]1CC(=O)Nc2c1cnn2CC(C)C ZINC000065371873 563958476 /nfs/dbraw/zinc/95/84/76/563958476.db2.gz PTXPHZLEVQUIBE-HNNXBMFYSA-N 0 0 341.455 4.145 50 0 EIAARN Cc1nc(CCn2cnc(-c3ccccc3)c2C2CC2)nc2c1CCC2 ZINC000065387399 563959372 /nfs/dbraw/zinc/95/93/72/563959372.db2.gz YOZPVNGRSPCTCO-UHFFFAOYSA-N 0 0 344.462 4.257 50 0 EIAARN CCCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1cccnc1 ZINC000065406967 563960210 /nfs/dbraw/zinc/96/02/10/563960210.db2.gz LASBAUOPNIGANU-UHFFFAOYSA-N 0 0 343.434 4.267 50 0 EIAARN COc1ccccc1-n1nc(C(C)C)nc1CSc1ccncc1 ZINC000065426473 563960706 /nfs/dbraw/zinc/96/07/06/563960706.db2.gz AOWHZSRAAVVVIL-UHFFFAOYSA-N 0 0 340.452 4.087 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2cccnc2-c2cccs2)c1 ZINC000033139036 563963719 /nfs/dbraw/zinc/96/37/19/563963719.db2.gz CEMOZTPKXUCLDP-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1Br ZINC000070140284 563963894 /nfs/dbraw/zinc/96/38/94/563963894.db2.gz IDUGTDTXWBSUMA-UHFFFAOYSA-N 0 0 326.140 4.288 50 0 EIAARN COc1cc2c(cc1-c1nccn1Cc1nc3ccccc3o1)CCC2 ZINC000071498034 563964471 /nfs/dbraw/zinc/96/44/71/563964471.db2.gz GSMHSZAOSBEVAJ-UHFFFAOYSA-N 0 0 345.402 4.237 50 0 EIAARN Cc1c[nH]c(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)c1 ZINC000071575228 563964574 /nfs/dbraw/zinc/96/45/74/563964574.db2.gz PSCKKPHFPFUGIG-CQSZACIVSA-N 0 0 332.394 4.086 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)[nH]n1 ZINC000071707781 563964751 /nfs/dbraw/zinc/96/47/51/563964751.db2.gz SUVHJNKKDRHTDB-OAHLLOKOSA-N 0 0 343.446 4.157 50 0 EIAARN Cc1csc(N(CC(F)(F)F)C(=O)c2ccc(C)c(C)c2)n1 ZINC000060543537 563964867 /nfs/dbraw/zinc/96/48/67/563964867.db2.gz GWJGFXTYAYAVHA-UHFFFAOYSA-N 0 0 328.359 4.277 50 0 EIAARN O=C(c1ccccc1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071745348 563964925 /nfs/dbraw/zinc/96/49/25/563964925.db2.gz TYAOSTKEBKMCKQ-HNNXBMFYSA-N 0 0 329.390 4.450 50 0 EIAARN CC(C)c1ccc2cc(C(=O)N3CCC4(CCCO4)CC3)[nH]c2c1 ZINC000071747933 563964985 /nfs/dbraw/zinc/96/49/85/563964985.db2.gz IFIQRRYFZOZIEK-UHFFFAOYSA-N 0 0 326.440 4.077 50 0 EIAARN CC(C)c1nc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)no1 ZINC000071760922 563965369 /nfs/dbraw/zinc/96/53/69/563965369.db2.gz RYUDOIZZIAGQDW-ZDUSSCGKSA-N 0 0 342.226 4.078 50 0 EIAARN COc1ccccc1C(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000071767428 563965522 /nfs/dbraw/zinc/96/55/22/563965522.db2.gz JEBAKEQGCMMHIX-UHFFFAOYSA-N 0 0 326.783 4.074 50 0 EIAARN O=C(OCc1ccccc1C(F)(F)F)c1ccc(NC2CC2)nc1 ZINC000060581998 563965915 /nfs/dbraw/zinc/96/59/15/563965915.db2.gz YUDJCZILXBFTSF-UHFFFAOYSA-N 0 0 336.313 4.032 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000033254283 563965997 /nfs/dbraw/zinc/96/59/97/563965997.db2.gz XGYAZMREJODNGP-UHFFFAOYSA-N 0 0 341.317 4.145 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1C ZINC000033254285 563966012 /nfs/dbraw/zinc/96/60/12/563966012.db2.gz OHOHCFPOZGRKDQ-UHFFFAOYSA-N 0 0 333.391 4.483 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cc1C ZINC000033254305 563966030 /nfs/dbraw/zinc/96/60/30/563966030.db2.gz RLDFUJGHXKMYDI-UHFFFAOYSA-N 0 0 333.391 4.483 50 0 EIAARN Cc1cccc(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)n1 ZINC000033257402 563966200 /nfs/dbraw/zinc/96/62/00/563966200.db2.gz DOOBDGZXOPUOSY-UHFFFAOYSA-N 0 0 349.394 4.352 50 0 EIAARN Cc1nnc(CN(C(=O)c2cc(C)c(C)cc2Cl)C(C)(C)C)o1 ZINC000097080321 563967203 /nfs/dbraw/zinc/96/72/03/563967203.db2.gz ZVUTZEZVHOPITD-UHFFFAOYSA-N 0 0 335.835 4.089 50 0 EIAARN Cc1nccn1-c1ccc([C@@H](C)NCc2nc3ccccc3o2)cc1 ZINC000097081919 563967252 /nfs/dbraw/zinc/96/72/52/563967252.db2.gz UKBNGOMVJXDTCU-CQSZACIVSA-N 0 0 332.407 4.173 50 0 EIAARN CCc1noc(C)c1C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000075476642 563967361 /nfs/dbraw/zinc/96/73/61/563967361.db2.gz DJGIFPANLVHVLZ-UHFFFAOYSA-N 0 0 336.794 4.143 50 0 EIAARN Cc1cccc(C)c1OC(=O)NC(C)(C(F)(F)F)C(F)(F)F ZINC000000033284 563967742 /nfs/dbraw/zinc/96/77/42/563967742.db2.gz HAXKCERVXRRBDZ-UHFFFAOYSA-N 0 0 329.240 4.275 50 0 EIAARN CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=C(C)C=C(C)N21 ZINC000000032767 563967784 /nfs/dbraw/zinc/96/77/84/563967784.db2.gz ZBZSFJDMGPOLIH-UHFFFAOYSA-N 0 0 325.256 4.194 50 0 EIAARN Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000000034346 563967806 /nfs/dbraw/zinc/96/78/06/563967806.db2.gz FOUAOBAEUKHQNX-UHFFFAOYSA-N 0 0 338.329 4.234 50 0 EIAARN COc1ccc(NC(=O)NC[C@H](C)c2nc(C)cs2)c(Cl)c1 ZINC000097113204 563967903 /nfs/dbraw/zinc/96/79/03/563967903.db2.gz MUZNULOGAMQWFQ-VIFPVBQESA-N 0 0 339.848 4.039 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000000035357 563968043 /nfs/dbraw/zinc/96/80/43/563968043.db2.gz ZGWIFYYJEIUPRL-OAHLLOKOSA-N 0 0 326.421 4.401 50 0 EIAARN COCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cc(C)oc2C)o1 ZINC000097161850 563968400 /nfs/dbraw/zinc/96/84/00/563968400.db2.gz HKUNMSQQWAECSU-SUMWQHHRSA-N 0 0 346.427 4.244 50 0 EIAARN O=C(NCc1cccnc1)c1ccc(CSc2ccccc2)cc1 ZINC000000039398 563968563 /nfs/dbraw/zinc/96/85/63/563968563.db2.gz KOVVUCAOAQGMSK-UHFFFAOYSA-N 0 0 334.444 4.304 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H]2C(F)(F)F)c2ccc(C)c(C)c2n1 ZINC000077287604 563968726 /nfs/dbraw/zinc/96/87/26/563968726.db2.gz KXTYXUAVFSQSKG-OAHLLOKOSA-N 0 0 336.357 4.327 50 0 EIAARN Cc1nc2cc(C(=O)N(C)Cc3cccc4ncccc34)ccc2s1 ZINC000077343147 563969062 /nfs/dbraw/zinc/96/90/62/563969062.db2.gz QBLLBHVTKYUKDG-UHFFFAOYSA-N 0 0 347.443 4.425 50 0 EIAARN O=C(c1cnn(-c2ccccc2)c1)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077426869 563969639 /nfs/dbraw/zinc/96/96/39/563969639.db2.gz OSARAEYICPWIDE-HXUWFJFHSA-N 0 0 349.409 4.379 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)N(C)[C@H](c3ccccn3)C3CC3)c2c1 ZINC000077470069 563969860 /nfs/dbraw/zinc/96/98/60/563969860.db2.gz ZRJLCDQKVXFJST-NRFANRHFSA-N 0 0 345.446 4.470 50 0 EIAARN COc1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2Cl)c1 ZINC000077519549 563970154 /nfs/dbraw/zinc/97/01/54/563970154.db2.gz QZYGWDBVINGYQW-GOSISDBHSA-N 0 0 347.817 4.394 50 0 EIAARN Cc1cccc([C@@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)c1 ZINC000077517568 563970166 /nfs/dbraw/zinc/97/01/66/563970166.db2.gz SNICEDSHEAWPKS-HXUWFJFHSA-N 0 0 345.446 4.201 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)N3CC(Oc4ccccc4C)C3)c2c1 ZINC000077553560 563970361 /nfs/dbraw/zinc/97/03/61/563970361.db2.gz PWLQJFWLUORQSM-UHFFFAOYSA-N 0 0 346.430 4.063 50 0 EIAARN CC(C)c1nc(CN(C)C(=O)c2cccc(OC(F)F)c2)cs1 ZINC000082120841 563972496 /nfs/dbraw/zinc/97/24/96/563972496.db2.gz MEBWSMLWYZTECL-UHFFFAOYSA-N 0 0 340.395 4.140 50 0 EIAARN CC(C)Cc1cc(C(=O)N(Cc2ccccc2Cl)C2CC2)n(C)n1 ZINC000082147489 563972730 /nfs/dbraw/zinc/97/27/30/563972730.db2.gz WNWHBXCAAYTXEQ-UHFFFAOYSA-N 0 0 345.874 4.077 50 0 EIAARN CC(C)c1noc([C@H]2CCCN2C(=O)c2csc3c2CCCC3)n1 ZINC000082157236 563972788 /nfs/dbraw/zinc/97/27/88/563972788.db2.gz VJYLFZHGNKYIDP-CQSZACIVSA-N 0 0 345.468 4.111 50 0 EIAARN O=C(c1cccc(Cn2cccn2)c1)N1CCCCC[C@H]1c1ccco1 ZINC000082161557 563972854 /nfs/dbraw/zinc/97/28/54/563972854.db2.gz XDGYFPPRFCNXEA-IBGZPJMESA-N 0 0 349.434 4.282 50 0 EIAARN CCC(C)(C)C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000033288196 563972982 /nfs/dbraw/zinc/97/29/82/563972982.db2.gz ONJYQAYYUVBINX-UHFFFAOYSA-N 0 0 349.434 4.069 50 0 EIAARN Cc1ccc(-c2noc(-c3cccnc3N3CCC(C)CC3)n2)cc1 ZINC000033317772 563973664 /nfs/dbraw/zinc/97/36/64/563973664.db2.gz MHUHAKDIKQZUQY-UHFFFAOYSA-N 0 0 334.423 4.343 50 0 EIAARN CSc1ccc(C(=O)c2ccc(CN3CCSCC3)cc2)cc1 ZINC000085651245 563973854 /nfs/dbraw/zinc/97/38/54/563973854.db2.gz NHXXFKZVRFDKHM-UHFFFAOYSA-N 0 0 343.517 4.188 50 0 EIAARN Cc1ccc(C)c(C(=O)c2ccccc2CN2CCSCC2)c1 ZINC000085651662 563973869 /nfs/dbraw/zinc/97/38/69/563973869.db2.gz TWMPZBLZQPZLFG-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN O=S(=O)(Nc1ccccc1Cl)c1ccccc1C(F)(F)F ZINC000000074691 563974489 /nfs/dbraw/zinc/97/44/89/563974489.db2.gz IRLDTNRTAHYIMS-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN O=C(NC[C@@H](O)c1ccco1)Nc1sc2ccccc2c1Cl ZINC000072286248 563974965 /nfs/dbraw/zinc/97/49/65/563974965.db2.gz IPUBJWGRCQTHOM-SNVBAGLBSA-N 0 0 336.800 4.003 50 0 EIAARN Cc1ccc2nc(CCCNC(=O)C[C@H]3CCc4ccccc43)oc2c1 ZINC000091270476 563975193 /nfs/dbraw/zinc/97/51/93/563975193.db2.gz SESUPFGSYOJISJ-QGZVFWFLSA-N 0 0 348.446 4.305 50 0 EIAARN CCN(C[C@H]1CCCCO1)C(=O)c1[nH]c2c(cc(C)cc2C)c1C ZINC000091364720 563975371 /nfs/dbraw/zinc/97/53/71/563975371.db2.gz DJNGQUMLTXIYNG-MRXNPFEDSA-N 0 0 328.456 4.124 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)c2)n1 ZINC000095499669 563977061 /nfs/dbraw/zinc/97/70/61/563977061.db2.gz XKXXTUCDDVCDBY-IXDOHACOSA-N 0 0 348.450 4.176 50 0 EIAARN O=C(CCC1CCN(c2nccs2)CC1)Nc1ccccc1Cl ZINC000095506332 563977152 /nfs/dbraw/zinc/97/71/52/563977152.db2.gz VWNNOMMURXYAJI-UHFFFAOYSA-N 0 0 349.887 4.432 50 0 EIAARN CCCCc1nc2cc(C(=O)N(C)Cc3c(C)noc3C)ccc2o1 ZINC000095505125 563977159 /nfs/dbraw/zinc/97/71/59/563977159.db2.gz SCTBIQKZOPGWQP-UHFFFAOYSA-N 0 0 341.411 4.047 50 0 EIAARN CCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000096135762 563979428 /nfs/dbraw/zinc/97/94/28/563979428.db2.gz FENQNDMJSMODCD-GFCCVEGCSA-N 0 0 331.243 4.416 50 0 EIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1c(C)nn(CC)c1C ZINC000096138350 563979432 /nfs/dbraw/zinc/97/94/32/563979432.db2.gz MSHSBOQPIPJDFV-QGZVFWFLSA-N 0 0 343.475 4.310 50 0 EIAARN COC[C@@H]1CCCN1C(=O)Nc1ccc(SCc2ccco2)cc1 ZINC000096162265 563979841 /nfs/dbraw/zinc/97/98/41/563979841.db2.gz NPNUOXKDPHXCTP-HNNXBMFYSA-N 0 0 346.452 4.215 50 0 EIAARN CO[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000096165508 563979918 /nfs/dbraw/zinc/97/99/18/563979918.db2.gz SXYNSRHGHYFPRD-GOSISDBHSA-N 0 0 344.386 4.261 50 0 EIAARN COc1ccccc1CN(CC(C)C)c1nc2c(s1)c(C)nn2C ZINC000096163992 563979922 /nfs/dbraw/zinc/97/99/22/563979922.db2.gz GMOCCBKUBVEVAX-UHFFFAOYSA-N 0 0 344.484 4.009 50 0 EIAARN O=C(NCc1cccc2[nH]ccc21)Nc1ccnn1C[C@H]1CC=CCC1 ZINC000096164130 563979942 /nfs/dbraw/zinc/97/99/42/563979942.db2.gz LPIDUOMUQRVCGH-HNNXBMFYSA-N 0 0 349.438 4.042 50 0 EIAARN Clc1ccc(C2(c3nc([C@H]4CCOC4)no3)CCCCC2)cc1 ZINC000096165974 563979948 /nfs/dbraw/zinc/97/99/48/563979948.db2.gz DYKGTAZCOKRAFY-ZDUSSCGKSA-N 0 0 332.831 4.477 50 0 EIAARN Fc1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193793 563980111 /nfs/dbraw/zinc/98/01/11/563980111.db2.gz NLXSKWLZXWLSRY-UHFFFAOYSA-N 0 0 336.351 4.405 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2F)cc1OC ZINC000011563049 563980808 /nfs/dbraw/zinc/98/08/08/563980808.db2.gz HHHGPMHRYKJPGQ-MRXNPFEDSA-N 0 0 344.386 4.212 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N3CCC[C@@]4(CCCO4)CC3)cc2)o1 ZINC000097076249 563981257 /nfs/dbraw/zinc/98/12/57/563981257.db2.gz YFESKOPTMQSUSV-OAQYLSRUSA-N 0 0 339.435 4.430 50 0 EIAARN COc1ccc2ccccc2c1CNc1cccc(N(C)C(C)=O)c1 ZINC000072927997 563981271 /nfs/dbraw/zinc/98/12/71/563981271.db2.gz OZQRFESSTZTPJR-UHFFFAOYSA-N 0 0 334.419 4.443 50 0 EIAARN CCc1nc2cc(NC(=O)N(C)[C@@H](C)c3nc(C)cs3)ccc2[nH]1 ZINC000097117021 563981302 /nfs/dbraw/zinc/98/13/02/563981302.db2.gz VDXJISHWTPNELP-NSHDSACASA-N 0 0 343.456 4.115 50 0 EIAARN Cc1nccc(-c2cccc(NC(=S)N[C@H](C)c3ccccc3)c2)n1 ZINC000044107137 563981443 /nfs/dbraw/zinc/98/14/43/563981443.db2.gz LUBPCROBSCOPKS-CQSZACIVSA-N 0 0 348.475 4.500 50 0 EIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2ccc(O)cc2)s1 ZINC000247830510 563982959 /nfs/dbraw/zinc/98/29/59/563982959.db2.gz LGTBRJKPGGVDFV-ZACQAIPSSA-N 0 0 327.449 4.229 50 0 EIAARN Cc1cc(C)c(NC(=O)COc2ccc3c(c2)CCC3)c(Cl)c1 ZINC000014094383 563983215 /nfs/dbraw/zinc/98/32/15/563983215.db2.gz NIJBVFXXCZTLHL-UHFFFAOYSA-N 0 0 329.827 4.463 50 0 EIAARN C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)C(C)(C)C)cc3c2C1 ZINC000014135256 563983253 /nfs/dbraw/zinc/98/32/53/563983253.db2.gz VCCBCSUFSUQJMO-LBPRGKRZSA-N 0 0 327.424 4.065 50 0 EIAARN Cc1ccc(-c2nc3nc(C)cc(Nc4ccccc4F)n3n2)cc1 ZINC000014610274 563986142 /nfs/dbraw/zinc/98/61/42/563986142.db2.gz YKMZNIDRFUVRDZ-UHFFFAOYSA-N 0 0 333.370 4.291 50 0 EIAARN CCCCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 ZINC000014610638 563986153 /nfs/dbraw/zinc/98/61/53/563986153.db2.gz QZYZZPXDIYOKRV-UHFFFAOYSA-N 0 0 342.374 4.120 50 0 EIAARN COc1cccc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)c1 ZINC000000110303 563986624 /nfs/dbraw/zinc/98/66/24/563986624.db2.gz TYDUWABGDUYDSP-UHFFFAOYSA-N 0 0 337.354 4.225 50 0 EIAARN Cc1ccc2c(c1)O[C@H](c1cc(Cl)cc3c1OCOC3)CC2=O ZINC000000125018 563986805 /nfs/dbraw/zinc/98/68/05/563986805.db2.gz YDYPQVKDHUKGLR-KRWDZBQOSA-N 0 0 330.767 4.221 50 0 biogenic EIAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2cnc3ccccc3c2)n1 ZINC000178568647 563987249 /nfs/dbraw/zinc/98/72/49/563987249.db2.gz MHOXEQHDGPMNKM-LJQANCHMSA-N 0 0 332.407 4.307 50 0 EIAARN CCCc1ccc(OC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000000150071 563987368 /nfs/dbraw/zinc/98/73/68/563987368.db2.gz SKEIWSAKTQGRHB-UHFFFAOYSA-N 0 0 347.842 4.170 50 0 EIAARN Cc1cc(C)cc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c1 ZINC000000150377 563987399 /nfs/dbraw/zinc/98/73/99/563987399.db2.gz ODMVAPIBXHTMHW-ZDUSSCGKSA-N 0 0 348.240 4.472 50 0 EIAARN Cc1ccccc1/C=C1\N=C(c2cc(F)c(F)cc2Cl)OC1=O ZINC000000176723 563987693 /nfs/dbraw/zinc/98/76/93/563987693.db2.gz IKBQJWHGMCURAS-UUASQNMZSA-N 0 0 333.721 4.271 50 0 EIAARN Cc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)OC1=O ZINC000000176713 563987698 /nfs/dbraw/zinc/98/76/98/563987698.db2.gz OGQOUGXJAAIWCS-XNTDXEJSSA-N 0 0 342.192 4.102 50 0 EIAARN CCC(NC(=O)Nc1ccccc1OC)(C(F)(F)F)C(F)(F)F ZINC000000198561 563988266 /nfs/dbraw/zinc/98/82/66/563988266.db2.gz BVEOAVZHLIVWLV-UHFFFAOYSA-N 0 0 344.255 4.090 50 0 EIAARN O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1ccccc1F ZINC000000184595 563987966 /nfs/dbraw/zinc/98/79/66/563987966.db2.gz ZNILACGRPTVGIX-UHFFFAOYSA-N 0 0 328.130 4.295 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc(=O)c2ccccc2o1 ZINC000000189181 563988022 /nfs/dbraw/zinc/98/80/22/563988022.db2.gz AXZCENIZJLHNSM-UHFFFAOYSA-N 0 0 348.383 4.169 50 0 EIAARN Cc1ccccc1N[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000000241445 563989172 /nfs/dbraw/zinc/98/91/72/563989172.db2.gz PICGSDCTGOFIBY-OAQYLSRUSA-N 0 0 344.414 4.046 50 0 EIAARN O=C(CSCc1ccc(F)cc1)NCc1ccc(F)cc1Cl ZINC000000262656 563989756 /nfs/dbraw/zinc/98/97/56/563989756.db2.gz QRFFXEDEHWVQNW-UHFFFAOYSA-N 0 0 341.810 4.168 50 0 EIAARN CCc1ccc(OCC(=O)Nc2ccccc2Br)cc1 ZINC000000265232 563989951 /nfs/dbraw/zinc/98/99/51/563989951.db2.gz BSFXHCRYKORUOT-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN Cc1cc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)cc(C)c1O ZINC000000267441 563990019 /nfs/dbraw/zinc/99/00/19/563990019.db2.gz FHDGLKLUDSJWGO-UHFFFAOYSA-N 0 0 335.359 4.085 50 0 EIAARN CCCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1Cl ZINC000000307158 563990891 /nfs/dbraw/zinc/99/08/91/563990891.db2.gz FSENDHHZIIEZMK-CQSZACIVSA-N 0 0 344.842 4.082 50 0 EIAARN CCCc1nc2ccccc2c(NC(=O)CN2CCCCC2)c1CC ZINC000000333853 563991301 /nfs/dbraw/zinc/99/13/01/563991301.db2.gz BZQBQHZFLANGHH-UHFFFAOYSA-N 0 0 339.483 4.174 50 0 EIAARN CCOC(=O)[C@H]1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1 ZINC000000339662 563991343 /nfs/dbraw/zinc/99/13/43/563991343.db2.gz VKBOGXJZEZFNTB-INIZCTEOSA-N 0 0 349.430 4.415 50 0 EIAARN Cc1nn(Cc2cccc(C(=O)N3CCCCCC3)c2)c(C)c1Cl ZINC000028236802 563991458 /nfs/dbraw/zinc/99/14/58/563991458.db2.gz ORULIWMVZRIMGK-UHFFFAOYSA-N 0 0 345.874 4.218 50 0 EIAARN CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)C2CCCC2)c1 ZINC000000365493 563991692 /nfs/dbraw/zinc/99/16/92/563991692.db2.gz LWDNJPQQLXQRPM-UHFFFAOYSA-N 0 0 336.863 4.245 50 0 EIAARN CCOC(=O)c1oc2ccc(OC)cc2c1CSc1ccccn1 ZINC000000375938 563991858 /nfs/dbraw/zinc/99/18/58/563991858.db2.gz RXVLZEXXWVDBFY-UHFFFAOYSA-N 0 0 343.404 4.305 50 0 EIAARN CC(=O)Nc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000000382421 563991916 /nfs/dbraw/zinc/99/19/16/563991916.db2.gz JWHIDXXDLWEVML-FQEVSTJZSA-N 0 0 332.407 4.098 50 0 EIAARN CC(C)N(C1=N/C(=C/c2ccco2)C(=O)N1c1ccccc1)C(C)C ZINC000000382940 563991958 /nfs/dbraw/zinc/99/19/58/563991958.db2.gz PKKSQJWEZOZUAW-QGOAFFKASA-N 0 0 337.423 4.142 50 0 EIAARN COc1ccc(CSc2nnc(-c3ccccc3Cl)o2)cn1 ZINC000408513082 563992736 /nfs/dbraw/zinc/99/27/36/563992736.db2.gz ZWQJIUZCJZRKFE-UHFFFAOYSA-N 0 0 333.800 4.086 50 0 EIAARN COc1cccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c1O ZINC000408514142 563992808 /nfs/dbraw/zinc/99/28/08/563992808.db2.gz GWQRILBERVZDME-UHFFFAOYSA-N 0 0 345.704 4.325 50 0 EIAARN Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CC(F)(F)F)c1 ZINC000408515725 563993007 /nfs/dbraw/zinc/99/30/07/563993007.db2.gz XGWYYVAOFZTXAK-UHFFFAOYSA-N 0 0 326.293 4.015 50 0 EIAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)s1 ZINC000257365503 563993346 /nfs/dbraw/zinc/99/33/46/563993346.db2.gz FPOYGYCUNRHSFP-RDBSUJKOSA-N 0 0 345.468 4.030 50 0 EIAARN O=C([C@@H]1C[C@H]1c1ccccc1F)N1CCCC[C@H]1c1nccs1 ZINC000257365078 563993412 /nfs/dbraw/zinc/99/34/12/563993412.db2.gz NKBIUORBGBHHAM-LZWOXQAQSA-N 0 0 330.428 4.140 50 0 EIAARN C[C@H]1CCCN(c2nc3c(-c4ccccc4)nnn3c3ccccc32)C1 ZINC000005035193 563993972 /nfs/dbraw/zinc/99/39/72/563993972.db2.gz PPUMFYKVLDKNOR-HNNXBMFYSA-N 0 0 343.434 4.181 50 0 EIAARN CC[C@H](C)[C@H](NC(=O)NC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000409414920 563994583 /nfs/dbraw/zinc/99/45/83/563994583.db2.gz ZCDPBUSYYQJXGD-GUYCJALGSA-N 0 0 328.460 4.282 50 0 EIAARN O=C(c1ccccc1Oc1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125480578 563995544 /nfs/dbraw/zinc/99/55/44/563995544.db2.gz BKDVOOKUWTYJLW-UHFFFAOYSA-N 0 0 347.418 4.222 50 0 EIAARN O=C(N[C@@H]1COC2(C1)CCCCC2)c1[nH]c2ccccc2c1Cl ZINC000426477670 563995768 /nfs/dbraw/zinc/99/57/68/563995768.db2.gz DKTKEEQBHHAGAG-LBPRGKRZSA-N 0 0 332.831 4.043 50 0 EIAARN CN(C[C@H]1CCCCO1)C(=O)NC(C)(C)c1cccc2ccccc21 ZINC000426487712 563995786 /nfs/dbraw/zinc/99/57/86/563995786.db2.gz 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EIAARN O=C(Nc1ccc2c(c1)CC(=O)N2)c1ccc(-c2ccccc2)cc1 ZINC000017191946 564011393 /nfs/dbraw/zinc/01/13/93/564011393.db2.gz VKMLMCXIETZVSY-UHFFFAOYSA-N 0 0 328.371 4.101 50 0 EIAARN CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(-n3cccn3)cc2)c1 ZINC000017361032 564011788 /nfs/dbraw/zinc/01/17/88/564011788.db2.gz BBBVUSUAOIUMBD-UHFFFAOYSA-N 0 0 335.407 4.128 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000000249474 564012313 /nfs/dbraw/zinc/01/23/13/564012313.db2.gz CCTSFIUDZXWNPO-UHFFFAOYSA-N 0 0 329.421 4.056 50 0 EIAARN CCOc1ccc([C@H](C)NC(=O)c2cccc(Br)c2)cc1 ZINC000000305977 564012362 /nfs/dbraw/zinc/01/23/62/564012362.db2.gz RMTKXBKQKHTYRC-LBPRGKRZSA-N 0 0 348.240 4.339 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1 ZINC000000361901 564012425 /nfs/dbraw/zinc/01/24/25/564012425.db2.gz PVFYKCPQWUWPTK-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000000505691 564012477 /nfs/dbraw/zinc/01/24/77/564012477.db2.gz BNHDUHXWCHCYML-CQSZACIVSA-N 0 0 325.408 4.420 50 0 EIAARN COC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000409029 564012607 /nfs/dbraw/zinc/01/26/07/564012607.db2.gz UKBOZPMNFQPXGU-UHFFFAOYSA-N 0 0 339.178 4.424 50 0 EIAARN COc1cccc(CNc2ccc(Br)cc2C)c1OC ZINC000000437289 564012608 /nfs/dbraw/zinc/01/26/08/564012608.db2.gz LVQDFUYWJQCMMR-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN CCN(CC)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000000621480 564012894 /nfs/dbraw/zinc/01/28/94/564012894.db2.gz IJAMPUSKECGEIE-UHFFFAOYSA-N 0 0 325.412 4.379 50 0 EIAARN Nc1nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2s1 ZINC000000912032 564012949 /nfs/dbraw/zinc/01/29/49/564012949.db2.gz RDUFTULMWOHKNX-UHFFFAOYSA-N 0 0 338.219 4.438 50 0 EIAARN C[C@H](CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000017796288 564013022 /nfs/dbraw/zinc/01/30/22/564013022.db2.gz DURBBTVUYBLPOW-SJORKVTESA-N 0 0 333.435 4.243 50 0 EIAARN O=C(NCCc1cccs1)c1cc(Br)ccc1Cl ZINC000017909555 564013238 /nfs/dbraw/zinc/01/32/38/564013238.db2.gz VZRKTPONNAKGIX-UHFFFAOYSA-N 0 0 344.661 4.137 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)NCCSc1ccccc1 ZINC000002190993 564013274 /nfs/dbraw/zinc/01/32/74/564013274.db2.gz DNGWFMCXKDHJKI-UHFFFAOYSA-N 0 0 338.476 4.399 50 0 EIAARN O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002485263 564013342 /nfs/dbraw/zinc/01/33/42/564013342.db2.gz JUFHZEGXPGIZDC-UHFFFAOYSA-N 0 0 327.380 4.294 50 0 EIAARN Cc1cc(SCC(=O)N2C[C@H](C)C[C@H](C)C2)nc2ccccc12 ZINC000017967509 564013459 /nfs/dbraw/zinc/01/34/59/564013459.db2.gz JDSBVMJNOQQRCC-OKILXGFUSA-N 0 0 328.481 4.140 50 0 EIAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)[C@@H]1CCCO1 ZINC000004007909 564013776 /nfs/dbraw/zinc/01/37/76/564013776.db2.gz LLCUSVLXASIFOR-BPAFIMBUSA-N 0 0 336.435 4.144 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccc(F)cc2)n1 ZINC000016577682 564014329 /nfs/dbraw/zinc/01/43/29/564014329.db2.gz MOJTUILSQZZEET-UHFFFAOYSA-N 0 0 345.761 4.019 50 0 EIAARN O=[P@@](N=c1cccc[nH]1)(OCC(F)(F)F)Oc1ccccc1 ZINC000003151890 564015264 /nfs/dbraw/zinc/01/52/64/564015264.db2.gz JZGLCNMRSVNPGW-QFIPXVFZSA-N 0 0 332.218 4.260 50 0 EIAARN CCn1nccc1CCSc1nnc(-c2cc3ccccc3o2)o1 ZINC000189478271 564015333 /nfs/dbraw/zinc/01/53/33/564015333.db2.gz OFGGNWPTWXJTIP-UHFFFAOYSA-N 0 0 340.408 4.034 50 0 EIAARN O=C1c2ccccc2C(=O)N1c1ccc(C(F)(F)F)c(Cl)c1 ZINC000000483146 564016856 /nfs/dbraw/zinc/01/68/56/564016856.db2.gz KTOUCUMOEVMDQB-UHFFFAOYSA-N 0 0 325.673 4.159 50 0 EIAARN O=C(Nc1ccc(NCc2ccns2)cc1)N1CCCCCC1 ZINC000583650817 564018298 /nfs/dbraw/zinc/01/82/98/564018298.db2.gz BZKSWMAOBLIHAB-UHFFFAOYSA-N 0 0 330.457 4.163 50 0 EIAARN CCOc1cccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)c1 ZINC000583648336 564018300 /nfs/dbraw/zinc/01/83/00/564018300.db2.gz VHTGFGDTUPSIHE-UHFFFAOYSA-N 0 0 332.363 4.192 50 0 EIAARN CC1CCN(c2ccc(NC(=O)c3cccnc3)cc2Cl)CC1 ZINC000012651512 564018808 /nfs/dbraw/zinc/01/88/08/564018808.db2.gz RRYRASYPIBZPLK-UHFFFAOYSA-N 0 0 329.831 4.224 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)c3cc(Cl)ccc3F)cnc21 ZINC000012999478 564019307 /nfs/dbraw/zinc/01/93/07/564019307.db2.gz HUQFBEXEZUNGEP-UHFFFAOYSA-N 0 0 332.766 4.057 50 0 EIAARN COc1cc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC ZINC000012940790 564019308 /nfs/dbraw/zinc/01/93/08/564019308.db2.gz MZPYVFNKWOOIMQ-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN CC[C@H](C)NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000102033011 564019840 /nfs/dbraw/zinc/01/98/40/564019840.db2.gz GMJBHCOTABRVRL-LBPRGKRZSA-N 0 0 343.427 4.068 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 ZINC000000509723 564019887 /nfs/dbraw/zinc/01/98/87/564019887.db2.gz LDBIZLOYUIKBNA-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN Cc1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)o1 ZINC000102199425 564019909 /nfs/dbraw/zinc/01/99/09/564019909.db2.gz QQTRQHNUZMDVQA-YLQAJVPDSA-N 0 0 336.428 4.057 50 0 EIAARN COc1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000000509224 564019914 /nfs/dbraw/zinc/01/99/14/564019914.db2.gz GYKMMLVCLHGNNC-UHFFFAOYSA-N 0 0 336.387 4.178 50 0 biogenic EIAARN Cc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C)c1 ZINC000102168702 564019930 /nfs/dbraw/zinc/01/99/30/564019930.db2.gz XDTOZEPVXMWZFN-VDZJLULYSA-N 0 0 346.467 4.464 50 0 EIAARN CCOc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 ZINC000000516115 564020454 /nfs/dbraw/zinc/02/04/54/564020454.db2.gz NHDLJELKVZLAOA-UHFFFAOYSA-N 0 0 333.391 4.103 50 0 EIAARN CC[C@]1(C)Cc2c(sc3nc(SC)nc(N4CCCC4)c23)CO1 ZINC000000520675 564020976 /nfs/dbraw/zinc/02/09/76/564020976.db2.gz HCVYBKYFBJZVDK-QGZVFWFLSA-N 0 0 349.525 4.255 50 0 EIAARN CC[C@@]1(C)Cc2c(sc3nc(SC)nc(N4CCCC4)c23)CO1 ZINC000000520674 564020993 /nfs/dbraw/zinc/02/09/93/564020993.db2.gz HCVYBKYFBJZVDK-KRWDZBQOSA-N 0 0 349.525 4.255 50 0 EIAARN Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1 ZINC000000521647 564021046 /nfs/dbraw/zinc/02/10/46/564021046.db2.gz OYFMPLLDEYKVOB-UHFFFAOYSA-N 0 0 344.349 4.427 50 0 EIAARN Fc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)cc1 ZINC000000526255 564021224 /nfs/dbraw/zinc/02/12/24/564021224.db2.gz TZKNYNZUQAYZSG-CVEARBPZSA-N 0 0 328.778 4.217 50 0 EIAARN Cc1cc(OCC(=O)Nc2cccnc2Cl)cc(C)c1Cl ZINC000000527243 564021258 /nfs/dbraw/zinc/02/12/58/564021258.db2.gz ASHSZUJMBCBBRN-UHFFFAOYSA-N 0 0 325.195 4.023 50 0 EIAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(C)C)cc1 ZINC000000525996 564021271 /nfs/dbraw/zinc/02/12/71/564021271.db2.gz IHKLLBPTDNVQNQ-GOSISDBHSA-N 0 0 327.380 4.108 50 0 biogenic EIAARN O=C(CCCc1c[nH]c2ccccc12)Nc1nc2c(s1)CCCC2 ZINC000014236470 564022032 /nfs/dbraw/zinc/02/20/32/564022032.db2.gz STMRANWIXZBCQT-UHFFFAOYSA-N 0 0 339.464 4.465 50 0 EIAARN Cc1ccc(C(=O)n2c(=S)nc3sc4ccccc4n32)cc1 ZINC000000550545 564022888 /nfs/dbraw/zinc/02/28/88/564022888.db2.gz BYHHYJWGZWUAIG-UHFFFAOYSA-N 0 0 325.418 4.077 50 0 in-vitro EIAARN Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Br)cc1 ZINC000014423322 564023536 /nfs/dbraw/zinc/02/35/36/564023536.db2.gz LTLHFFSZUVNAKZ-UHFFFAOYSA-N 0 0 330.225 4.351 50 0 EIAARN O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1c(F)cccc1F ZINC000015011106 564023923 /nfs/dbraw/zinc/02/39/23/564023923.db2.gz VELAORSAGFLRJK-RMKNXTFCSA-N 0 0 325.261 4.218 50 0 EIAARN C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000104723625 564024006 /nfs/dbraw/zinc/02/40/06/564024006.db2.gz IGJROBULCVXYHC-MPGHIAIKSA-N 0 0 345.483 4.224 50 0 EIAARN C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC1CCCCC1 ZINC000018337761 564024181 /nfs/dbraw/zinc/02/41/81/564024181.db2.gz QBVSZOYIRYRMNH-JTQLQIEISA-N 0 0 332.391 4.030 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000015640945 564024291 /nfs/dbraw/zinc/02/42/91/564024291.db2.gz VVHPOHINYVSOMX-DHZHZOJOSA-N 0 0 337.810 4.237 50 0 EIAARN CC(C)c1nc(CC(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)cs1 ZINC000046745761 564024432 /nfs/dbraw/zinc/02/44/32/564024432.db2.gz HCGBGSNEANXAIA-DOMZBBRYSA-N 0 0 332.469 4.184 50 0 EIAARN CCc1ccc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn32)cc1 ZINC000046914008 564025506 /nfs/dbraw/zinc/02/55/06/564025506.db2.gz SFYHFXYKVDELAR-UHFFFAOYSA-N 0 0 333.395 4.307 50 0 EIAARN CCc1cccc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn32)c1 ZINC000046914063 564025525 /nfs/dbraw/zinc/02/55/25/564025525.db2.gz WVIYZMDQRZAYBG-UHFFFAOYSA-N 0 0 333.395 4.307 50 0 EIAARN COc1ccc(Br)c(C(=O)Nc2ccccc2Cl)c1 ZINC000003483219 564026358 /nfs/dbraw/zinc/02/63/58/564026358.db2.gz BFZOONMRBAOALR-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN C[C@@H](NC(=O)N1CC2(CCCC2)c2c1cccc2F)c1ccncc1 ZINC000194777474 564026331 /nfs/dbraw/zinc/02/63/31/564026331.db2.gz SDEDGOGGVJBWRN-CQSZACIVSA-N 0 0 339.414 4.323 50 0 EIAARN O=C(/C=C/c1ccccn1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000047517955 564026390 /nfs/dbraw/zinc/02/63/90/564026390.db2.gz DNCVCICVGKXAME-FNORWQNLSA-N 0 0 343.358 4.135 50 0 EIAARN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cc2ccccc2[nH]1 ZINC000047535144 564026414 /nfs/dbraw/zinc/02/64/14/564026414.db2.gz MYAGXSXXUUPTQA-UHFFFAOYSA-N 0 0 348.406 4.048 50 0 EIAARN CCOc1cc(NCc2cnc(C)n2-c2ccccc2)ccc1OC ZINC000081292590 564026594 /nfs/dbraw/zinc/02/65/94/564026594.db2.gz JYVYYGMQIBIFIW-UHFFFAOYSA-N 0 0 337.423 4.200 50 0 EIAARN Cc1ccc2c(C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)c(C(=O)[O-])n(C)c2c1 ZINC000106887551 564026714 /nfs/dbraw/zinc/02/67/14/564026714.db2.gz PDEALKVJTHNUOT-CKEIUWERSA-N 0 0 328.456 4.099 50 0 EIAARN O=C(Cc1cccc(OC(F)F)c1)Nc1ccccc1C(F)(F)F ZINC000107083085 564026814 /nfs/dbraw/zinc/02/68/14/564026814.db2.gz OIOPQUFVWVQERC-UHFFFAOYSA-N 0 0 345.267 4.488 50 0 EIAARN CCN(CC)C(=O)c1ccccc1NC(=O)c1sccc1SC ZINC000107129115 564026825 /nfs/dbraw/zinc/02/68/25/564026825.db2.gz LADPCTODLOOKRE-UHFFFAOYSA-N 0 0 348.493 4.204 50 0 EIAARN O=C(NC1CCCCCC1)c1cccnc1Nc1cccc(F)c1 ZINC000044821276 564027216 /nfs/dbraw/zinc/02/72/16/564027216.db2.gz TVTACUOVUFAHGP-UHFFFAOYSA-N 0 0 327.403 4.417 50 0 EIAARN C[C@H](C(=O)N1CCC[C@@H]1c1ccsc1)n1cnc2ccccc21 ZINC000044943617 564027853 /nfs/dbraw/zinc/02/78/53/564027853.db2.gz GTIYKSVVRWNTRE-CZUORRHYSA-N 0 0 325.437 4.023 50 0 EIAARN CCCCOc1ccc2oc(C)c(C(=O)NCc3ccco3)c2c1 ZINC000046085637 564029572 /nfs/dbraw/zinc/02/95/72/564029572.db2.gz QJBGLQZSNXGDIK-UHFFFAOYSA-N 0 0 327.380 4.443 50 0 EIAARN CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000047947548 564029835 /nfs/dbraw/zinc/02/98/35/564029835.db2.gz MDURAQSRMQKYPD-UHFFFAOYSA-N 0 0 347.802 4.230 50 0 EIAARN CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000048065936 564029914 /nfs/dbraw/zinc/02/99/14/564029914.db2.gz SOKQEOUJCPWSNJ-ATGUSINASA-N 0 0 338.407 4.146 50 0 EIAARN Cc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)nn1C(C)(C)C ZINC000048252363 564030426 /nfs/dbraw/zinc/03/04/26/564030426.db2.gz RSSGOPQIJQDLTE-UHFFFAOYSA-N 0 0 338.411 4.217 50 0 EIAARN Cc1nccn1-c1ccc(NC(=O)c2occc2-c2ccccc2)cn1 ZINC000048301010 564030835 /nfs/dbraw/zinc/03/08/35/564030835.db2.gz WBJARFBWGAEZDN-UHFFFAOYSA-N 0 0 344.374 4.088 50 0 EIAARN O=S(=O)(c1ccc2ccccc2c1)N(Cc1cccs1)C1CC1 ZINC000048312386 564031033 /nfs/dbraw/zinc/03/10/33/564031033.db2.gz GVSOUKAMHQDSJD-UHFFFAOYSA-N 0 0 343.473 4.255 50 0 EIAARN CCCCOc1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000048332964 564031052 /nfs/dbraw/zinc/03/10/52/564031052.db2.gz YSIYTPYGSDLGBL-UHFFFAOYSA-N 0 0 336.435 4.206 50 0 EIAARN COc1cc(NC(=O)Nc2cccc3ccccc32)ccc1NC(C)=O ZINC000048356290 564031374 /nfs/dbraw/zinc/03/13/74/564031374.db2.gz DEXCAOANDSQHIK-UHFFFAOYSA-N 0 0 349.390 4.451 50 0 EIAARN Cc1cc(C(=O)N(Cc2cccs2)Cc2cccn2C)c(C)o1 ZINC000049026650 564032403 /nfs/dbraw/zinc/03/24/03/564032403.db2.gz JSXVENJFBSFMDH-UHFFFAOYSA-N 0 0 328.437 4.139 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=S)Nc2ccc(OC(F)F)cc2)[C@@H]1C ZINC000005656987 564032913 /nfs/dbraw/zinc/03/29/13/564032913.db2.gz LIYBYTFQYGQACE-GYSYKLTISA-N 0 0 328.428 4.399 50 0 EIAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000005860870 564033007 /nfs/dbraw/zinc/03/30/07/564033007.db2.gz JSKYOWKJAQRQFH-NSHDSACASA-N 0 0 348.855 4.418 50 0 EIAARN O=C(CCCSc1n[nH]c(-c2cccs2)n1)c1cccs1 ZINC000006035340 564033114 /nfs/dbraw/zinc/03/31/14/564033114.db2.gz OKMJLXAVVIMJJP-UHFFFAOYSA-N 0 0 335.479 4.350 50 0 EIAARN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@H]2CCC[C@H]21 ZINC000081548864 564033332 /nfs/dbraw/zinc/03/33/32/564033332.db2.gz YDLSQDWRHIWYKT-CXAGYDPISA-N 0 0 337.423 4.019 50 0 EIAARN CCCSc1ncc(Cl)c(C(=O)Oc2ccc(C)cc2C)n1 ZINC000006810527 564033521 /nfs/dbraw/zinc/03/35/21/564033521.db2.gz ZWPYIEDWPUOEHV-UHFFFAOYSA-N 0 0 336.844 4.468 50 0 EIAARN CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccc2c(c1)OCO2 ZINC000007069244 564034053 /nfs/dbraw/zinc/03/40/53/564034053.db2.gz QPQDHIJVYSANFL-CSKARUKUSA-N 0 0 335.359 4.376 50 0 EIAARN CCOC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000081607904 564034098 /nfs/dbraw/zinc/03/40/98/564034098.db2.gz HUOJQGBSXXTOFK-CQSZACIVSA-N 0 0 338.407 4.476 50 0 EIAARN C[C@H]1CSc2ccccc2N1C(=O)c1csc([C@H]2CCCO2)n1 ZINC000122201400 564034257 /nfs/dbraw/zinc/03/42/57/564034257.db2.gz YYSOTDVTGCVJOR-SMDDNHRTSA-N 0 0 346.477 4.136 50 0 EIAARN CCOc1cc(/C=C/C(=O)Nc2cccc(C)c2C)ccc1OC ZINC000007609982 564034391 /nfs/dbraw/zinc/03/43/91/564034391.db2.gz VJJGNWJDOIAZTC-ZRDIBKRKSA-N 0 0 325.408 4.363 50 0 EIAARN Cc1noc(C)c1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000007718932 564034458 /nfs/dbraw/zinc/03/44/58/564034458.db2.gz VDYLLSSPZQQTDT-UHFFFAOYSA-N 0 0 344.430 4.335 50 0 EIAARN CC(C)Oc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000007988450 564034632 /nfs/dbraw/zinc/03/46/32/564034632.db2.gz ZFYXHRIUMBAMMH-QGZVFWFLSA-N 0 0 327.449 4.441 50 0 EIAARN Cc1cccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1C ZINC000000807916 564034640 /nfs/dbraw/zinc/03/46/40/564034640.db2.gz MHDNOMXPILLSAV-UHFFFAOYSA-N 0 0 346.430 4.490 50 0 EIAARN O=C(CCCCCn1cccc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000604405970 564034685 /nfs/dbraw/zinc/03/46/85/564034685.db2.gz VDURLSLKUVHUES-UHFFFAOYSA-N 0 0 335.451 4.115 50 0 EIAARN COc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c(OC)c1 ZINC000000818053 564035022 /nfs/dbraw/zinc/03/50/22/564035022.db2.gz NESATCCBXNTDCE-NRFANRHFSA-N 0 0 349.434 4.465 50 0 EIAARN O=C(CCSc1ccccc1)NCc1ccc(-c2ccoc2)nc1 ZINC000390831467 564035044 /nfs/dbraw/zinc/03/50/44/564035044.db2.gz SBGUYALZSBTICV-UHFFFAOYSA-N 0 0 338.432 4.140 50 0 EIAARN CC(=O)Nc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 ZINC000000818135 564035288 /nfs/dbraw/zinc/03/52/88/564035288.db2.gz FUTCEBZJUVAMEB-HXUWFJFHSA-N 0 0 332.407 4.098 50 0 EIAARN Cc1c(Cl)c(COC(=O)c2ccc(O)cc2)nc2ccccc12 ZINC000008447286 564035741 /nfs/dbraw/zinc/03/57/41/564035741.db2.gz LXCWWSWYZQILCO-UHFFFAOYSA-N 0 0 327.767 4.259 50 0 EIAARN CC[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ncccc1C ZINC000220737865 564036008 /nfs/dbraw/zinc/03/60/08/564036008.db2.gz HBEYPPBEAOAAHN-HNNXBMFYSA-N 0 0 336.357 4.219 50 0 EIAARN O=C(CCSCc1nc(-c2cccs2)no1)Nc1ccccc1 ZINC000032778892 564036208 /nfs/dbraw/zinc/03/62/08/564036208.db2.gz DVKUFVOGSCQAAY-UHFFFAOYSA-N 0 0 345.449 4.060 50 0 EIAARN O=C(NCc1ccco1)c1cc(Cl)cc(Cl)c1OC(F)F ZINC000032973879 564036354 /nfs/dbraw/zinc/03/63/54/564036354.db2.gz WJSYNLOZIYVCCI-UHFFFAOYSA-N 0 0 336.121 4.118 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1F ZINC000024077846 564036376 /nfs/dbraw/zinc/03/63/76/564036376.db2.gz SLQVKSONYRYANJ-CYBMUJFWSA-N 0 0 340.398 4.423 50 0 EIAARN CCCNC(=O)Nc1ccc(-c2noc(-c3ccc(C)s3)n2)cc1 ZINC000032996254 564036392 /nfs/dbraw/zinc/03/63/92/564036392.db2.gz ILUGFORIEHOASB-UHFFFAOYSA-N 0 0 342.424 4.305 50 0 EIAARN FC(F)(F)c1nsc(NCCOc2cccc3ccccc32)n1 ZINC000225388052 564046313 /nfs/dbraw/zinc/04/63/13/564046313.db2.gz YOCLLQLZPLETLS-UHFFFAOYSA-N 0 0 339.342 4.201 50 0 EIAARN O=C(Nc1c(F)cc(F)cc1Cl)c1ncccc1Br ZINC000225409419 564046499 /nfs/dbraw/zinc/04/64/99/564046499.db2.gz DLJYBLUQRLWFRW-UHFFFAOYSA-N 0 0 347.546 4.028 50 0 EIAARN O=C(Nc1ccc(-c2nc(-c3cnccn3)cs2)cc1)c1ccco1 ZINC000225455156 564046936 /nfs/dbraw/zinc/04/69/36/564046936.db2.gz FUUSMRWCFZCFJT-UHFFFAOYSA-N 0 0 348.387 4.112 50 0 EIAARN C[C@@H](NCc1nc(Cc2ccccc2)no1)c1ccc(Cl)cc1 ZINC000058341551 564050334 /nfs/dbraw/zinc/05/03/34/564050334.db2.gz XSDQRLLQSNEEAW-CYBMUJFWSA-N 0 0 327.815 4.165 50 0 EIAARN CC[C@H](NC(=O)c1cc[nH]c1C1CC1)c1nc(-c2ccccc2)c[nH]1 ZINC000239882332 564051724 /nfs/dbraw/zinc/05/17/24/564051724.db2.gz DBFDKEHIHISMKW-INIZCTEOSA-N 0 0 334.423 4.163 50 0 EIAARN CC(C)c1nn(C)cc1NC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000241338587 564051969 /nfs/dbraw/zinc/05/19/69/564051969.db2.gz MCBFQGGSGUOHSV-FQEVSTJZSA-N 0 0 340.471 4.129 50 0 EIAARN C[C@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1Cl ZINC000005796533 564052185 /nfs/dbraw/zinc/05/21/85/564052185.db2.gz UFEYRBWLJDOAEH-JTQLQIEISA-N 0 0 334.807 4.308 50 0 EIAARN CC[C@@H](C(=O)NCC[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000225608374 564052647 /nfs/dbraw/zinc/05/26/47/564052647.db2.gz ZAKHOAQFWKPTTC-MSOLQXFVSA-N 0 0 331.843 4.074 50 0 EIAARN CCSc1ccccc1C(=O)NCC[C@@H](O)c1cccc(Cl)c1 ZINC000225609038 564052687 /nfs/dbraw/zinc/05/26/87/564052687.db2.gz JBKNPDXXEMBWQL-MRXNPFEDSA-N 0 0 349.883 4.306 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)CN(Cc2ccccn2)C2CC2)cc1 ZINC000252487804 564053436 /nfs/dbraw/zinc/05/34/36/564053436.db2.gz IBSNWTRVBPIJNQ-INIZCTEOSA-N 0 0 337.467 4.198 50 0 EIAARN C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccccc1 ZINC000015089184 564053662 /nfs/dbraw/zinc/05/36/62/564053662.db2.gz GVBHVXHMUOCZSE-ZDUSSCGKSA-N 0 0 343.448 4.201 50 0 EIAARN COc1cc2c(cc1O)C=C[C@@]1(Oc3cccc4c3c1ccc4OC)O2 ZINC000000971372 564053754 /nfs/dbraw/zinc/05/37/54/564053754.db2.gz PASRWHIFQPBCIO-OAQYLSRUSA-N 0 0 348.354 4.214 50 0 EIAARN O=c1c(/C=C2/COc3ccc(Cl)cc3C2=O)coc2ccccc12 ZINC000000988388 564053904 /nfs/dbraw/zinc/05/39/04/564053904.db2.gz NYNJXYYSLNHQGD-GHXNOFRVSA-N 0 0 338.746 4.105 50 0 EIAARN C[C@]12CCC[C@@H]1[C@@H]1C(=O)C[C@H]3CC4(CC[C@@]3(C)[C@@H]1CC2)OCCO4 ZINC000257345869 564055846 /nfs/dbraw/zinc/05/58/46/564055846.db2.gz LXOGEYSXRYPSCR-ZWDFGCBGSA-N 0 0 332.484 4.341 50 0 EIAARN CCOC(=O)c1sc2nc(C)nc(Oc3ccc(F)cc3)c2c1C ZINC000015175159 564056029 /nfs/dbraw/zinc/05/60/29/564056029.db2.gz JRKWQRXFGHLHGD-UHFFFAOYSA-N 0 0 346.383 4.416 50 0 EIAARN C[C@H](NC(=O)N(Cc1ccoc1)C1CCCCC1)c1ccncc1 ZINC000073487265 564056489 /nfs/dbraw/zinc/05/64/89/564056489.db2.gz DUWIYTUVHVADCT-HNNXBMFYSA-N 0 0 327.428 4.280 50 0 EIAARN CC(C)(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000005901585 564056914 /nfs/dbraw/zinc/05/69/14/564056914.db2.gz 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/nfs/dbraw/zinc/05/80/06/564058006.db2.gz JSRWMNAZDMTSOV-UHFFFAOYSA-N 0 0 333.185 4.296 50 0 EIAARN CC(=O)c1c(F)cccc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012547950 564058997 /nfs/dbraw/zinc/05/89/97/564058997.db2.gz BWXVUCBPZABARD-UHFFFAOYSA-N 0 0 337.398 4.289 50 0 EIAARN CN(C)c1cccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000012554828 564059305 /nfs/dbraw/zinc/05/93/05/564059305.db2.gz RDMYVGCVCCBPMR-INIZCTEOSA-N 0 0 346.883 4.373 50 0 EIAARN Cc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1F ZINC000012556279 564059371 /nfs/dbraw/zinc/05/93/71/564059371.db2.gz FCWJICUDIUPLOW-UHFFFAOYSA-N 0 0 345.374 4.374 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000012558446 564059430 /nfs/dbraw/zinc/05/94/30/564059430.db2.gz XYNTVLUIEYWRII-AWEZNQCLSA-N 0 0 337.448 4.334 50 0 EIAARN COC(=O)c1cc2c(nc(-c3cccnc3)cc2C(F)(F)F)s1 ZINC000012560173 564059483 /nfs/dbraw/zinc/05/94/83/564059483.db2.gz VMBBLAGIRYDYPW-UHFFFAOYSA-N 0 0 338.310 4.164 50 0 EIAARN COc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000012588160 564060184 /nfs/dbraw/zinc/06/01/84/564060184.db2.gz FWTKFIPEXHVZOJ-IBGZPJMESA-N 0 0 333.391 4.001 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)c2)no1 ZINC000120883492 564060527 /nfs/dbraw/zinc/06/05/27/564060527.db2.gz CDRDOLIXTRNDEX-QGZVFWFLSA-N 0 0 348.406 4.066 50 0 EIAARN C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)c1ccc2c(c1)CCC2 ZINC000012620208 564060737 /nfs/dbraw/zinc/06/07/37/564060737.db2.gz PBVBEYNJDZASOQ-CYBMUJFWSA-N 0 0 349.459 4.324 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc3sc(C)nc3c2)on1 ZINC000299769993 564060762 /nfs/dbraw/zinc/06/07/62/564060762.db2.gz NRMSEKPEQYQRHO-CQSZACIVSA-N 0 0 342.424 4.270 50 0 EIAARN CCCOc1ccc(Cl)cc1CNC(=O)N1CCC(F)(F)CC1 ZINC000534587468 564061180 /nfs/dbraw/zinc/06/11/80/564061180.db2.gz RBRXHZKKZANEJG-UHFFFAOYSA-N 0 0 346.805 4.070 50 0 EIAARN CC(C)c1ccc(-c2ccc(C(=O)N(C)Cc3ccoc3)cc2)nn1 ZINC000534588404 564061195 /nfs/dbraw/zinc/06/11/95/564061195.db2.gz UJPKBGCHBMBFPN-UHFFFAOYSA-N 0 0 335.407 4.132 50 0 EIAARN C[C@@H](c1ccc(-c2cc(C(F)(F)F)ccn2)cc1)N1CCOCC1 ZINC000534655020 564061445 /nfs/dbraw/zinc/06/14/45/564061445.db2.gz UKELZJQIOIAYOA-ZDUSSCGKSA-N 0 0 336.357 4.161 50 0 EIAARN CC(=O)c1csc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000031890407 564061487 /nfs/dbraw/zinc/06/14/87/564061487.db2.gz KMDXKNAYKKLVBU-UHFFFAOYSA-N 0 0 342.464 4.314 50 0 EIAARN CC[C@@H](NC(=O)N(CC)Cc1ccc(SC)cc1)c1cccnc1 ZINC000534669730 564061547 /nfs/dbraw/zinc/06/15/47/564061547.db2.gz LKPKQOGOUAEEOB-GOSISDBHSA-N 0 0 343.496 4.486 50 0 EIAARN COC1(c2nc(-c3cc(F)ccc3F)c(C)s2)CCOCC1 ZINC000277424557 564061711 /nfs/dbraw/zinc/06/17/11/564061711.db2.gz FTVSRMVXVXFRCZ-UHFFFAOYSA-N 0 0 325.380 4.049 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2C)c(Cl)n1 ZINC000001382133 564063993 /nfs/dbraw/zinc/06/39/93/564063993.db2.gz KXPFNZUROOTRMX-UHFFFAOYSA-N 0 0 330.236 4.146 50 0 EIAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)cc1 ZINC000012679720 564062567 /nfs/dbraw/zinc/06/25/67/564062567.db2.gz RFCTZAXSJUEOCI-RISCZKNCSA-N 0 0 343.452 4.143 50 0 EIAARN Cc1onc(-c2ccccc2)c1C1N=NC(=S)N1c1ccccc1 ZINC000001268089 564062789 /nfs/dbraw/zinc/06/27/89/564062789.db2.gz DECBTPOOJPRXGI-UHFFFAOYSA-N 0 0 334.404 4.186 50 0 EIAARN CCn1nc(NC(=O)c2cccc(C)c2)c2cc3ccccc3nc21 ZINC000001263528 564062798 /nfs/dbraw/zinc/06/27/98/564062798.db2.gz OQSXUMCKSUCKDZ-UHFFFAOYSA-N 0 0 330.391 4.165 50 0 EIAARN COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1Cl ZINC000001266498 564062808 /nfs/dbraw/zinc/06/28/08/564062808.db2.gz OFLCIIWIQLRSKD-UHFFFAOYSA-N 0 0 336.775 4.350 50 0 EIAARN CN(C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1CCCCCC1 ZINC000083855628 564063910 /nfs/dbraw/zinc/06/39/10/564063910.db2.gz VRYUQGGFWFTTOS-OALUTQOASA-N 0 0 348.462 4.410 50 0 EIAARN Cc1ccc(-c2nnc3c4ccccc4nc(C(F)(F)F)n23)cc1 ZINC000001383108 564064070 /nfs/dbraw/zinc/06/40/70/564064070.db2.gz NZPWLVIYNHIOOZ-UHFFFAOYSA-N 0 0 328.297 4.272 50 0 EIAARN COc1cccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)c1 ZINC000001384261 564064149 /nfs/dbraw/zinc/06/41/49/564064149.db2.gz HQWXNSULELFKFF-UHFFFAOYSA-N 0 0 341.720 4.386 50 0 EIAARN Cc1sc(-c2ccc(Cl)nc2)nc1OC(=O)c1cccs1 ZINC000001385779 564064206 /nfs/dbraw/zinc/06/42/06/564064206.db2.gz KTZCFYRDPYZULV-UHFFFAOYSA-N 0 0 336.825 4.448 50 0 EIAARN CN(Cc1ccco1)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000012734746 564064415 /nfs/dbraw/zinc/06/44/15/564064415.db2.gz KQKWIACVHIFTRY-UHFFFAOYSA-N 0 0 339.366 4.270 50 0 EIAARN COCCc1noc(-c2cc(C3CC3)nc3ccc(Cl)cc32)n1 ZINC000083912012 564064554 /nfs/dbraw/zinc/06/45/54/564064554.db2.gz AXLMLKAKHIVMME-UHFFFAOYSA-N 0 0 329.787 4.005 50 0 EIAARN Cc1ccc(-c2nnc(SCc3nc(CC(C)C)no3)o2)cc1C ZINC000012737822 564064701 /nfs/dbraw/zinc/06/47/01/564064701.db2.gz HHWFGIABRNOVNW-UHFFFAOYSA-N 0 0 344.440 4.227 50 0 EIAARN Cc1nc(C(F)(F)F)c(-c2ncnn2-c2ccc(Cl)cc2)s1 ZINC000001397213 564064722 /nfs/dbraw/zinc/06/47/22/564064722.db2.gz OCHGUDGLAKUVKI-UHFFFAOYSA-N 0 0 344.749 4.371 50 0 EIAARN COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2C)cc1OC ZINC000000122504 564065369 /nfs/dbraw/zinc/06/53/69/564065369.db2.gz TXHKVLNNWPXKFS-WEVVVXLNSA-N 0 0 332.783 4.284 50 0 EIAARN CCOCCCNC(=O)c1cccnc1Sc1cc(C)ccc1C ZINC000012741580 564065443 /nfs/dbraw/zinc/06/54/43/564065443.db2.gz HCUUOLQYLCTEIK-UHFFFAOYSA-N 0 0 344.480 4.006 50 0 EIAARN CC[C@H](NCc1cnc(C)n1-c1ccccc1)c1nc(C)cs1 ZINC000084022413 564065813 /nfs/dbraw/zinc/06/58/13/564065813.db2.gz DFUKOAWXQZYSEQ-KRWDZBQOSA-N 0 0 326.469 4.187 50 0 EIAARN CSCc1ccccc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000184746353 564065866 /nfs/dbraw/zinc/06/58/66/564065866.db2.gz ZAVGSYCWDZQNPL-RHSMWYFYSA-N 0 0 336.501 4.122 50 0 EIAARN Cc1nc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)ccc2o1 ZINC000012747923 564065992 /nfs/dbraw/zinc/06/59/92/564065992.db2.gz YYMLXEGQBLINKL-JTQLQIEISA-N 0 0 330.771 4.196 50 0 EIAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OC3CCCC3)c12 ZINC000084066693 564066013 /nfs/dbraw/zinc/06/60/13/564066013.db2.gz XAYMBVLZVJULCW-UHFFFAOYSA-N 0 0 335.407 4.043 50 0 EIAARN Cc1c(Cl)c(CN2CCO[C@@H]3CCCC[C@@H]32)nc2ccccc12 ZINC000084068109 564066088 /nfs/dbraw/zinc/06/60/88/564066088.db2.gz DJQQEJJRDGZHND-ZWKOTPCHSA-N 0 0 330.859 4.340 50 0 EIAARN COc1ccc(-c2nc(COc3ccc(C)cc3OC)co2)cc1 ZINC000012752739 564067131 /nfs/dbraw/zinc/06/71/31/564067131.db2.gz CWQDKPHJCYWEKI-UHFFFAOYSA-N 0 0 325.364 4.246 50 0 EIAARN COc1ccc(C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000084174764 564067148 /nfs/dbraw/zinc/06/71/48/564067148.db2.gz JULOBKRGMNMHJC-UHFFFAOYSA-N 0 0 335.407 4.058 50 0 EIAARN CSc1cccc(NC(=O)CN(Cc2ccccc2F)C2CC2)c1 ZINC000012756226 564067245 /nfs/dbraw/zinc/06/72/45/564067245.db2.gz IPMFUXDUSYXNNP-UHFFFAOYSA-N 0 0 344.455 4.151 50 0 EIAARN Cc1nnc2ccc(N[C@@H](CC(C)(C)C)c3ccc(F)cc3)nn12 ZINC000084297137 564067715 /nfs/dbraw/zinc/06/77/15/564067715.db2.gz GAUZCJAEXDEGPK-HNNXBMFYSA-N 0 0 327.407 4.161 50 0 EIAARN CCN(Cc1ccccn1)C(=O)Nc1cccc(OC(F)F)c1C ZINC000084320758 564067787 /nfs/dbraw/zinc/06/77/87/564067787.db2.gz ZOHAUODOVXFETQ-UHFFFAOYSA-N 0 0 335.354 4.045 50 0 EIAARN Fc1cccc(Cl)c1CN(c1nccc(C(F)(F)F)n1)C1CC1 ZINC000084339047 564067844 /nfs/dbraw/zinc/06/78/44/564067844.db2.gz JMXNDCDHMPNMRO-UHFFFAOYSA-N 0 0 345.727 4.457 50 0 EIAARN CC[C@H](C)n1ncc(C(=O)Nc2cc(F)ccc2C(C)=O)c1C1CC1 ZINC000184848883 564067908 /nfs/dbraw/zinc/06/79/08/564067908.db2.gz JIPSGAWFGJUDLW-NSHDSACASA-N 0 0 343.402 4.326 50 0 EIAARN c1coc(-c2noc(CNc3cccc(OC4CCCC4)c3)n2)c1 ZINC000084374546 564068003 /nfs/dbraw/zinc/06/80/03/564068003.db2.gz QCGOHDCBNVJEKH-UHFFFAOYSA-N 0 0 325.368 4.263 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012767076 564068116 /nfs/dbraw/zinc/06/81/16/564068116.db2.gz BVAQRLZUHCALBW-GASCZTMLSA-N 0 0 343.496 4.182 50 0 EIAARN O=C(N[C@H]1C[C@H]1c1ccccc1)c1cccnc1SC1CCCC1 ZINC000084525468 564068435 /nfs/dbraw/zinc/06/84/35/564068435.db2.gz HOVQLHSATVNTIG-ROUUACIJSA-N 0 0 338.476 4.402 50 0 EIAARN O=C(Cc1cccc2ccccc21)N(C[C@H](O)c1ccccc1)C1CC1 ZINC000084522422 564068474 /nfs/dbraw/zinc/06/84/74/564068474.db2.gz RAHCTIJRTRQKQX-QFIPXVFZSA-N 0 0 345.442 4.107 50 0 EIAARN CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000084544365 564068635 /nfs/dbraw/zinc/06/86/35/564068635.db2.gz KZKZRVLFOMHLOG-IAGOWNOFSA-N 0 0 335.875 4.107 50 0 EIAARN CC(=O)CCCSc1nnc(-c2ccccc2F)n1CC(C)C ZINC000084575343 564068738 /nfs/dbraw/zinc/06/87/38/564068738.db2.gz KPGXXKVKEJVEJK-UHFFFAOYSA-N 0 0 335.448 4.202 50 0 EIAARN O=C(NC[C@@H](O)c1cc2ccccc2s1)c1ccccc1Cl ZINC000084595021 564068955 /nfs/dbraw/zinc/06/89/55/564068955.db2.gz BIGGWWHSLGJGCV-CQSZACIVSA-N 0 0 331.824 4.018 50 0 EIAARN CC(C)(C)c1nc2cc(NC(=O)c3ccc[nH]c3=S)ccc2[nH]1 ZINC000012773840 564069128 /nfs/dbraw/zinc/06/91/28/564069128.db2.gz CGZHDVZCYAEPDF-UHFFFAOYSA-N 0 0 326.425 4.170 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1F ZINC000012773947 564069148 /nfs/dbraw/zinc/06/91/48/564069148.db2.gz QLJMGQZDONRQKK-UHFFFAOYSA-N 0 0 340.398 4.059 50 0 EIAARN C[C@@H](c1ccccc1F)[S@@](=O)Cc1cccc(OC(F)F)c1 ZINC000084660669 564069473 /nfs/dbraw/zinc/06/94/73/564069473.db2.gz JICYOZWXWSJBRG-KPWVOAKYSA-N 0 0 328.355 4.437 50 0 EIAARN C[C@H](c1ccccc1F)[S@@](=O)Cc1cccc(OC(F)F)c1 ZINC000084660672 564069480 /nfs/dbraw/zinc/06/94/80/564069480.db2.gz JICYOZWXWSJBRG-RKFFSXRUSA-N 0 0 328.355 4.437 50 0 EIAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)NC1CCCCC1 ZINC000012777143 564069589 /nfs/dbraw/zinc/06/95/89/564069589.db2.gz KHSFMFBRLFIGCQ-UHFFFAOYSA-N 0 0 344.480 4.401 50 0 EIAARN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)Nc3cn[nH]c3)c2)C1 ZINC000084689700 564069590 /nfs/dbraw/zinc/06/95/90/564069590.db2.gz NVSKYIIDYZNTTH-SUMWQHHRSA-N 0 0 328.416 4.149 50 0 EIAARN CC[C@H](C)[C@H](C(=O)NCC1(CCO)CCCCC1)c1ccccc1 ZINC000084721593 564069783 /nfs/dbraw/zinc/06/97/83/564069783.db2.gz NPDPGKLGWITRKF-HKUYNNGSSA-N 0 0 331.500 4.265 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccs1 ZINC000015640448 564069901 /nfs/dbraw/zinc/06/99/01/564069901.db2.gz JATYCYIYLSYAKM-UHFFFAOYSA-N 0 0 337.326 4.205 50 0 EIAARN Cc1ccc(-c2cnc(CCC(=O)N3C[C@H](C)C[C@H](C)C3)o2)cc1C ZINC000012782120 564070034 /nfs/dbraw/zinc/07/00/34/564070034.db2.gz ZWTZWBNPYVMDEE-GASCZTMLSA-N 0 0 340.467 4.396 50 0 EIAARN CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000084757329 564070052 /nfs/dbraw/zinc/07/00/52/564070052.db2.gz WNXXSNBMCXTWSD-OAHLLOKOSA-N 0 0 345.874 4.038 50 0 EIAARN CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000084757328 564070060 /nfs/dbraw/zinc/07/00/60/564070060.db2.gz WNXXSNBMCXTWSD-HNNXBMFYSA-N 0 0 345.874 4.038 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000012784947 564070219 /nfs/dbraw/zinc/07/02/19/564070219.db2.gz YLMKJKRDXUETRG-CYBMUJFWSA-N 0 0 325.799 4.017 50 0 EIAARN Cc1cc(C)c2c(n1)sc1c2N[C@H](C)N(c2ccc(F)cc2)C1=O ZINC000015670735 564070443 /nfs/dbraw/zinc/07/04/43/564070443.db2.gz DMGPUPPREIEWLP-NSHDSACASA-N 0 0 341.411 4.471 50 0 EIAARN CCC[C@H](C(=O)Nc1ccc(Cl)cc1)N1Cc2ccccc2C1=O ZINC000015679159 564070707 /nfs/dbraw/zinc/07/07/07/564070707.db2.gz XMCSLXKPXXNQGY-QGZVFWFLSA-N 0 0 342.826 4.103 50 0 EIAARN COc1ccc(Nc2c(=O)c(=O)c2-c2ccc(Cl)cc2)cc1Cl ZINC000015682425 564070823 /nfs/dbraw/zinc/07/08/23/564070823.db2.gz LWBZSWVMJNDBEQ-UHFFFAOYSA-N 0 0 348.185 4.009 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(NCc2ncc(C(C)(C)C)o2)cc1 ZINC000085271081 564072411 /nfs/dbraw/zinc/07/24/11/564072411.db2.gz OPDNFRQIOOPTLY-UHFFFAOYSA-N 0 0 329.444 4.113 50 0 EIAARN CC[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC ZINC000012809237 564072623 /nfs/dbraw/zinc/07/26/23/564072623.db2.gz HKJRVCXHCMSPIQ-HNNXBMFYSA-N 0 0 349.434 4.076 50 0 EIAARN Cc1c(C)n(C)c2ccc(C(=O)NCc3cccc(Cl)c3)cc12 ZINC000015732209 564072690 /nfs/dbraw/zinc/07/26/90/564072690.db2.gz SFXBSGNCXGXYJC-UHFFFAOYSA-N 0 0 326.827 4.379 50 0 EIAARN COc1ccc2oc(C(=O)c3[nH]c(C)c(C(C)=O)c3C)c(C)c2c1 ZINC000012810994 564072789 /nfs/dbraw/zinc/07/27/89/564072789.db2.gz ROXAIYQEHSXBMS-UHFFFAOYSA-N 0 0 325.364 4.128 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1ccc2scnc2c1 ZINC000085436338 564073184 /nfs/dbraw/zinc/07/31/84/564073184.db2.gz MOCIVVQCKTZDCP-UHFFFAOYSA-N 0 0 334.400 4.467 50 0 EIAARN CSc1ccccc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1 ZINC000085471569 564073485 /nfs/dbraw/zinc/07/34/85/564073485.db2.gz JYYGRDQDBZAJJA-UHFFFAOYSA-N 0 0 349.459 4.471 50 0 EIAARN CCOC(=O)c1nc2ccccc2c(N(C)c2ccccc2CC)n1 ZINC000015784035 564074166 /nfs/dbraw/zinc/07/41/66/564074166.db2.gz CEBQRTRSOXXNAD-UHFFFAOYSA-N 0 0 335.407 4.137 50 0 EIAARN CCOC(=O)c1nc2ccccc2c(N(C)c2cccc(Cl)c2)n1 ZINC000015784040 564074182 /nfs/dbraw/zinc/07/41/82/564074182.db2.gz RYAPUSRRIMQVRH-UHFFFAOYSA-N 0 0 341.798 4.228 50 0 EIAARN O=C(NCc1nc2ccccc2[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000006110553 564074200 /nfs/dbraw/zinc/07/42/00/564074200.db2.gz BNTDOYVHSZCPGO-UHFFFAOYSA-N 0 0 343.386 4.285 50 0 EIAARN C[C@H]1CCn2c(nc3cc(C(=O)NC4CCCCCCC4)ccc32)C1 ZINC000015786885 564074901 /nfs/dbraw/zinc/07/49/01/564074901.db2.gz FGWQHUHBUNDWGZ-HNNXBMFYSA-N 0 0 339.483 4.461 50 0 EIAARN CCOc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1OC ZINC000012827903 564075093 /nfs/dbraw/zinc/07/50/93/564075093.db2.gz IVNATHORJUSVEQ-UHFFFAOYSA-N 0 0 346.452 4.072 50 0 EIAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1 ZINC000002151825 564075141 /nfs/dbraw/zinc/07/51/41/564075141.db2.gz UMVZSFNFQNVLAC-UHFFFAOYSA-N 0 0 337.448 4.318 50 0 EIAARN COCCn1ccc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc21 ZINC000085877649 564075146 /nfs/dbraw/zinc/07/51/46/564075146.db2.gz XNOUGLGJKIEFEH-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 biogenic EIAARN CC(=O)Nc1ccc(NCc2noc(-c3ccsc3)n2)c(Cl)c1 ZINC000086205610 564075358 /nfs/dbraw/zinc/07/53/58/564075358.db2.gz GEUICQQFPYJBBU-UHFFFAOYSA-N 0 0 348.815 4.022 50 0 EIAARN Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cccc(C)n3)cc2)cs1 ZINC000012851289 564075374 /nfs/dbraw/zinc/07/53/74/564075374.db2.gz WHLYAJNUXUKCMS-CYBMUJFWSA-N 0 0 337.448 4.313 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)Nc3ccccc3Cl)c2)no1 ZINC000015823236 564075496 /nfs/dbraw/zinc/07/54/96/564075496.db2.gz BYVRLGZUKVFSFF-UHFFFAOYSA-N 0 0 328.759 4.342 50 0 EIAARN C[C@@H](c1ccc2ccccc2c1)N(C(=O)NCc1nccn1C)C1CC1 ZINC000086392636 564075586 /nfs/dbraw/zinc/07/55/86/564075586.db2.gz MQJUOPHGIABXNA-HNNXBMFYSA-N 0 0 348.450 4.009 50 0 EIAARN CC(C)c1ccc(-c2noc(CCC(=O)NC3CCCCC3)n2)cc1 ZINC000012857940 564075589 /nfs/dbraw/zinc/07/55/89/564075589.db2.gz OAGRKNLUENKUHQ-UHFFFAOYSA-N 0 0 341.455 4.242 50 0 EIAARN Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccccc3Cl)C2)cc1 ZINC000015830434 564075795 /nfs/dbraw/zinc/07/57/95/564075795.db2.gz CQFYAORGLNRLTJ-INIZCTEOSA-N 0 0 329.856 4.043 50 0 EIAARN CC(C)(C(=O)Nc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 ZINC000012865548 564075844 /nfs/dbraw/zinc/07/58/44/564075844.db2.gz CTYMHLZTNCEMLI-UHFFFAOYSA-N 0 0 348.402 4.448 50 0 EIAARN CC(C)N(C(=O)CN1c2cccc3cccc(c23)C1=O)c1ccccc1 ZINC000012868818 564075895 /nfs/dbraw/zinc/07/58/95/564075895.db2.gz MEBGISOBKYDQPO-UHFFFAOYSA-N 0 0 344.414 4.242 50 0 EIAARN CSc1ccc(CN(C)Cn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000012869064 564075974 /nfs/dbraw/zinc/07/59/74/564075974.db2.gz GRXIJQDWZKBUMM-UHFFFAOYSA-N 0 0 348.855 4.059 50 0 EIAARN CC[C@H](C)CCCOC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F ZINC000043198771 564076173 /nfs/dbraw/zinc/07/61/73/564076173.db2.gz CVDVLBUUDPPNJU-BBRMVZONSA-N 0 0 332.362 4.460 50 0 EIAARN COc1c2ccccc2sc1CC(=O)Nc1ccc(OC)cc1 ZINC000045068880 564076252 /nfs/dbraw/zinc/07/62/52/564076252.db2.gz YBEJCDDWDVVWCP-UHFFFAOYSA-N 0 0 327.405 4.100 50 0 EIAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000015836305 564076370 /nfs/dbraw/zinc/07/63/70/564076370.db2.gz PXRUNHYDVXLHCT-KRWDZBQOSA-N 0 0 349.521 4.472 50 0 EIAARN Cc1nc(-c2cccs2)c(CC(=O)N2CCc3ccccc32)s1 ZINC000015840136 564076643 /nfs/dbraw/zinc/07/66/43/564076643.db2.gz HKDKWTCNACWJRG-UHFFFAOYSA-N 0 0 340.473 4.312 50 0 EIAARN Cc1ccccc1CNC(=O)Cc1scnc1-c1cccs1 ZINC000015840241 564076666 /nfs/dbraw/zinc/07/66/66/564076666.db2.gz XORSWOQHXDOSMD-UHFFFAOYSA-N 0 0 328.462 4.039 50 0 EIAARN Cc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000006152006 564076854 /nfs/dbraw/zinc/07/68/54/564076854.db2.gz NGVPBKMSIRNQMN-UHFFFAOYSA-N 0 0 338.451 4.051 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1ccc(F)c(Cl)c1)c1ccccc1O2 ZINC000015861289 564076958 /nfs/dbraw/zinc/07/69/58/564076958.db2.gz IXZQOORXKXHNBP-RHSMWYFYSA-N 0 0 348.830 4.414 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(CN(C(=O)C(C)C)C2CCCCC2)c1C ZINC000015862499 564077063 /nfs/dbraw/zinc/07/70/63/564077063.db2.gz MVQYQANVWUDCOA-UHFFFAOYSA-N 0 0 348.487 4.126 50 0 EIAARN CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2CCC ZINC000026121343 564077302 /nfs/dbraw/zinc/07/73/02/564077302.db2.gz HBONZSLKAQEIJJ-UHFFFAOYSA-N 0 0 342.487 4.171 50 0 EIAARN Cc1cccc(Cn2cc(C(=O)Nc3ccc(C)cc3C)ccc2=O)c1 ZINC000015883087 564077449 /nfs/dbraw/zinc/07/74/49/564077449.db2.gz HKUJYZDTZPNQLX-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Cc1cc(C(=O)COc2ccc(Cl)cc2)c(C)n1-c1nccs1 ZINC000012899387 564077669 /nfs/dbraw/zinc/07/76/69/564077669.db2.gz OILJQUNKJLYVKX-UHFFFAOYSA-N 0 0 346.839 4.466 50 0 EIAARN O=C(OCc1csc(-c2ccccc2Cl)n1)c1cccnc1 ZINC000012904647 564077773 /nfs/dbraw/zinc/07/77/73/564077773.db2.gz JUOUCFVBUANRPP-UHFFFAOYSA-N 0 0 330.796 4.216 50 0 EIAARN COc1ccc(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 ZINC000012912620 564077970 /nfs/dbraw/zinc/07/79/70/564077970.db2.gz VZXIASGGKIQGOO-UHFFFAOYSA-N 0 0 338.329 4.378 50 0 EIAARN CC(C)c1ccccc1NC(=O)CCCNC(=O)c1cccs1 ZINC000012914162 564077979 /nfs/dbraw/zinc/07/79/79/564077979.db2.gz AIEITAWOZKVAED-UHFFFAOYSA-N 0 0 330.453 4.020 50 0 EIAARN CC(C)c1ccc(C[S@](=O)[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000012913473 564077996 /nfs/dbraw/zinc/07/79/96/564077996.db2.gz TZUBGIYRPVHHGZ-NPMXOYFQSA-N 0 0 329.465 4.086 50 0 EIAARN CC(C)c1ccc(C[S@@](=O)[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000012913478 564078003 /nfs/dbraw/zinc/07/80/03/564078003.db2.gz TZUBGIYRPVHHGZ-CMJOXMDJSA-N 0 0 329.465 4.086 50 0 EIAARN Cc1cc(C(=O)COc2ccccc2Cl)c(C)n1-c1nccs1 ZINC000012915802 564078113 /nfs/dbraw/zinc/07/81/13/564078113.db2.gz FMHNBYNYAPOJAW-UHFFFAOYSA-N 0 0 346.839 4.466 50 0 EIAARN O=C(Nc1cccc(Cl)c1F)c1ccc(-c2cncnc2)cc1F ZINC000186448652 564078325 /nfs/dbraw/zinc/07/83/25/564078325.db2.gz OMVMMXNXLDMALA-UHFFFAOYSA-N 0 0 345.736 4.328 50 0 EIAARN Cc1ccc(C)c([C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000012930694 564078751 /nfs/dbraw/zinc/07/87/51/564078751.db2.gz HKVMECSBZKQILW-MGPUTAFESA-N 0 0 340.442 4.113 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)OCO2)NC1(c2cccs2)CCCC1 ZINC000575413768 564078885 /nfs/dbraw/zinc/07/88/85/564078885.db2.gz ZERQIMKQZPXIFR-SOFGYWHQSA-N 0 0 341.432 4.076 50 0 EIAARN O=C(c1ccc(-c2cccs2)cc1)N1CC[C@H](OCC2CC2)C1 ZINC000575414527 564078899 /nfs/dbraw/zinc/07/88/99/564078899.db2.gz WAQPDMXCOIHJAP-KRWDZBQOSA-N 0 0 327.449 4.056 50 0 EIAARN CCSc1ccccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000088363283 564079031 /nfs/dbraw/zinc/07/90/31/564079031.db2.gz FKPTXXCOKIZJKH-AWEZNQCLSA-N 0 0 330.457 4.281 50 0 EIAARN CN(Cc1ccncc1)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000088787368 564079894 /nfs/dbraw/zinc/07/98/94/564079894.db2.gz INEGUZBLQNVZIN-FQEVSTJZSA-N 0 0 349.409 4.152 50 0 EIAARN CN(Cc1nccs1)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000088784542 564079906 /nfs/dbraw/zinc/07/99/06/564079906.db2.gz JPILMSDGCPZKDB-KRWDZBQOSA-N 0 0 347.459 4.355 50 0 EIAARN O=C(CC[C@H]1CCCO1)Nc1c(F)cccc1OCc1ccccc1 ZINC000075139521 564080609 /nfs/dbraw/zinc/08/06/09/564080609.db2.gz PJVXIQYRMUCXRD-MRXNPFEDSA-N 0 0 343.398 4.302 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)c1nc(-c2ccccc2)oc1C ZINC000075143071 564080626 /nfs/dbraw/zinc/08/06/26/564080626.db2.gz VTTOIMOBSKZHDM-QGZVFWFLSA-N 0 0 335.407 4.268 50 0 EIAARN CCOC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001581237 564081682 /nfs/dbraw/zinc/08/16/82/564081682.db2.gz YNLFSUXIAWCHSI-UHFFFAOYSA-N 0 0 327.203 4.141 50 0 EIAARN O=C(C=CNc1scc2c1c(=O)oc1ccccc21)c1cccnc1 ZINC000006536317 564082118 /nfs/dbraw/zinc/08/21/18/564082118.db2.gz XYSXAEUFIOJQKX-VQHVLOKHSA-N 0 0 348.383 4.211 50 0 EIAARN Nc1c2ccccc2oc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000026423301 564082166 /nfs/dbraw/zinc/08/21/66/564082166.db2.gz ZKTPZMGXZXVKNU-UHFFFAOYSA-N 0 0 336.269 4.166 50 0 EIAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C)cc1 ZINC000000278072 564082523 /nfs/dbraw/zinc/08/25/23/564082523.db2.gz WANYYFHINYYQKR-APPDUMDISA-N 0 0 328.799 4.238 50 0 EIAARN O=C(Cc1ccsc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000006219577 564083016 /nfs/dbraw/zinc/08/30/16/564083016.db2.gz CWVZNJHZWACRPO-UHFFFAOYSA-N 0 0 336.388 4.331 50 0 EIAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)nc2c1 ZINC000006292182 564083672 /nfs/dbraw/zinc/08/36/72/564083672.db2.gz NDZXEAVXECABOO-MJBXVCDLSA-N 0 0 331.485 4.047 50 0 EIAARN O=C(NCc1cncc(-c2ccoc2)c1)Nc1cccc2cccnc21 ZINC000575619343 564083798 /nfs/dbraw/zinc/08/37/98/564083798.db2.gz DLWZMVABFXXZSW-UHFFFAOYSA-N 0 0 344.374 4.212 50 0 EIAARN O=C(NCc1cncc(-c2ccoc2)c1)c1ccccc1C(F)(F)F ZINC000575620919 564083897 /nfs/dbraw/zinc/08/38/97/564083897.db2.gz ROHNAJSDMDTFKT-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN O=C(Cc1ccccc1Cl)N1CCC(Oc2ccsc2)CC1 ZINC000575621250 564083964 /nfs/dbraw/zinc/08/39/64/564083964.db2.gz ZHGQKOHRXKTOHX-UHFFFAOYSA-N 0 0 335.856 4.014 50 0 EIAARN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)N2CCCCCC2)o1 ZINC000075437530 564084746 /nfs/dbraw/zinc/08/47/46/564084746.db2.gz SRHBMEGISSZBIN-UHFFFAOYSA-N 0 0 339.395 4.116 50 0 EIAARN CCc1cccc(C)c1NC(=O)[C@H](C)n1sc2ccccc2c1=O ZINC000006799937 564085189 /nfs/dbraw/zinc/08/51/89/564085189.db2.gz QZAKEANGJKXCLH-ZDUSSCGKSA-N 0 0 340.448 4.134 50 0 EIAARN COc1cccc(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000006333058 564085199 /nfs/dbraw/zinc/08/51/99/564085199.db2.gz BUACPZUHKOYMRL-UHFFFAOYSA-N 0 0 341.741 4.131 50 0 EIAARN COc1cccc(N=C2NN=C(c3cc4ccccc4o3)CS2)c1 ZINC000006367561 564085351 /nfs/dbraw/zinc/08/53/51/564085351.db2.gz WRECPTDHNHIBMO-UHFFFAOYSA-N 0 0 337.404 4.360 50 0 EIAARN C[C@H](C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c1cccs1 ZINC000122913559 564085378 /nfs/dbraw/zinc/08/53/78/564085378.db2.gz OXSWYCIYQMNIHA-IHRRRGAJSA-N 0 0 335.494 4.028 50 0 EIAARN CC(C)(C)[C@@H](Cn1cccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000006386533 564085429 /nfs/dbraw/zinc/08/54/29/564085429.db2.gz YOUUKIQHCANRAF-IGDKPHCXSA-N 0 0 343.515 4.021 50 0 EIAARN CC(C)c1ccc(O[C@@H](C)c2nnc(SC(=O)C3CC3)n2C)cc1 ZINC000006390385 564085454 /nfs/dbraw/zinc/08/54/54/564085454.db2.gz GEZCPTDVTSQFLF-LBPRGKRZSA-N 0 0 345.468 4.107 50 0 EIAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccncc3)c2c1 ZINC000006401279 564085576 /nfs/dbraw/zinc/08/55/76/564085576.db2.gz FFNZJNOOHLTNHZ-UHFFFAOYSA-N 0 0 340.386 4.253 50 0 EIAARN O=C(CCc1ccc(F)cc1)Nc1ccc(Br)cc1F ZINC000018115892 564085680 /nfs/dbraw/zinc/08/56/80/564085680.db2.gz YKTZXDFKVSGGJQ-UHFFFAOYSA-N 0 0 340.167 4.299 50 0 EIAARN O=C(Cc1nc(-c2ccc3ccccc3c2)cs1)NCc1ccco1 ZINC000012981677 564085683 /nfs/dbraw/zinc/08/56/83/564085683.db2.gz DNMOMEUADJICFV-UHFFFAOYSA-N 0 0 348.427 4.415 50 0 EIAARN O=C(NCCSc1ccccc1)c1ccccc1C(F)(F)F ZINC000012987126 564085739 /nfs/dbraw/zinc/08/57/39/564085739.db2.gz YQRMNGKMQXFMIM-UHFFFAOYSA-N 0 0 325.355 4.228 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000012984223 564085752 /nfs/dbraw/zinc/08/57/52/564085752.db2.gz IJFWCVODJHHGNJ-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN COC(=O)c1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1 ZINC000012999096 564086256 /nfs/dbraw/zinc/08/62/56/564086256.db2.gz ISNFTDLLZOZNFZ-UHFFFAOYSA-N 0 0 343.766 4.361 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(C)c3C)o2)cs1 ZINC000013006859 564086444 /nfs/dbraw/zinc/08/64/44/564086444.db2.gz RLUOTSJLIGKWSO-UHFFFAOYSA-N 0 0 326.421 4.258 50 0 EIAARN C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000013019094 564086866 /nfs/dbraw/zinc/08/68/66/564086866.db2.gz STBKBSVQRHNLBI-KZULUSFZSA-N 0 0 346.833 4.150 50 0 EIAARN C[C@@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000013019098 564086871 /nfs/dbraw/zinc/08/68/71/564086871.db2.gz STBKBSVQRHNLBI-XIKOKIGWSA-N 0 0 346.833 4.150 50 0 EIAARN CCOc1ccc(CNC(=O)c2ccc(-c3ccsc3)nc2)cc1 ZINC000075502001 564087155 /nfs/dbraw/zinc/08/71/55/564087155.db2.gz AJPJACFTFJGHDK-UHFFFAOYSA-N 0 0 338.432 4.139 50 0 EIAARN Cc1cccc(-c2nocc2CCC(=O)NCc2ccc(F)cc2)c1 ZINC000075510283 564087349 /nfs/dbraw/zinc/08/73/49/564087349.db2.gz GYMNQRDWTAKGBC-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN Cc1cccc(CNC(=O)CCc2conc2-c2ccc(F)cc2)c1 ZINC000075510414 564087355 /nfs/dbraw/zinc/08/73/55/564087355.db2.gz RAMXJPPQLCRCCZ-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN Cc1csc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)n1 ZINC000002625746 564087426 /nfs/dbraw/zinc/08/74/26/564087426.db2.gz LIOINMQTQKQTGI-UHFFFAOYSA-N 0 0 346.477 4.486 50 0 EIAARN CCCCC(=O)Nc1cc(-c2cc3cc(OC)ccc3n2CC)[nH]n1 ZINC000075544407 564088705 /nfs/dbraw/zinc/08/87/05/564088705.db2.gz BKORXJOVHRVPNU-UHFFFAOYSA-N 0 0 340.427 4.189 50 0 EIAARN CN(Cc1ccc(C(C)(C)C)s1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000092072835 564088812 /nfs/dbraw/zinc/08/88/12/564088812.db2.gz BDXTXAGMIWAPSR-OAHLLOKOSA-N 0 0 349.521 4.006 50 0 EIAARN CCCOP(=O)(OCCC)OC(C(F)(F)F)C(F)(F)F ZINC000001856218 564088939 /nfs/dbraw/zinc/08/89/39/564088939.db2.gz LQBJYYXUWBKTGA-UHFFFAOYSA-N 0 0 332.177 4.458 50 0 EIAARN Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cccn1C(C)C ZINC000092646121 564089036 /nfs/dbraw/zinc/08/90/36/564089036.db2.gz VCQQIQLQTRGDPF-UHFFFAOYSA-N 0 0 342.830 4.469 50 0 EIAARN Cc1ccsc1C(=O)Nc1nn(-c2ccccc2Cl)cc1C ZINC000092645652 564089040 /nfs/dbraw/zinc/08/90/40/564089040.db2.gz UHGLKEUKBVUCOP-UHFFFAOYSA-N 0 0 331.828 4.456 50 0 EIAARN CC(C)(C)n1ncc2c1CCC[C@H]2NCc1csc(C2CC2)n1 ZINC000075611545 564089854 /nfs/dbraw/zinc/08/98/54/564089854.db2.gz WRTIAFXVNRULSJ-OAHLLOKOSA-N 0 0 330.501 4.139 50 0 EIAARN Cc1cc(C)nc(N=NC(CCc2ccccc2)c2ccccc2O)n1 ZINC000252475122 564090169 /nfs/dbraw/zinc/09/01/69/564090169.db2.gz TVKOXBCIGDSWDG-UHFFFAOYSA-N 0 0 346.434 4.248 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000001993309 564090428 /nfs/dbraw/zinc/09/04/28/564090428.db2.gz TXRFAWKCEUMFQE-UHFFFAOYSA-N 0 0 339.435 4.396 50 0 EIAARN CCC(=O)N(CC[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000000102361 564090461 /nfs/dbraw/zinc/09/04/61/564090461.db2.gz RORFEHRCSGKUHD-MRXNPFEDSA-N 0 0 333.472 4.029 50 0 biogenic EIAARN Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O ZINC000000389347 564090475 /nfs/dbraw/zinc/09/04/75/564090475.db2.gz ZRYSIWWDHPTVNZ-UHFFFAOYSA-N 0 0 342.778 4.325 50 0 biogenic EIAARN CC(=O)c1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000000488485 564090520 /nfs/dbraw/zinc/09/05/20/564090520.db2.gz PGTHPAKSAOZVOR-GOSISDBHSA-N 0 0 339.464 4.208 50 0 biogenic EIAARN CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)COC3)n(C(C)(C)C)n1 ZINC000064394988 564090688 /nfs/dbraw/zinc/09/06/88/564090688.db2.gz KRDOUWPUCGJHHC-UHFFFAOYSA-N 0 0 341.455 4.218 50 0 EIAARN Cc1ccccc1Nc1nnc(SCC(=O)OC(C)(C)C)s1 ZINC000006508909 564091220 /nfs/dbraw/zinc/09/12/20/564091220.db2.gz JKYKDHDVKUOLRB-UHFFFAOYSA-N 0 0 337.470 4.024 50 0 EIAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1CC ZINC000064438961 564091308 /nfs/dbraw/zinc/09/13/08/564091308.db2.gz VRPXYBQBZMURCC-UHFFFAOYSA-N 0 0 349.434 4.460 50 0 EIAARN CCN(C(=O)c1cccnc1SC)C12CC3CC(CC(C3)C1)C2 ZINC000006510771 564091374 /nfs/dbraw/zinc/09/13/74/564091374.db2.gz QMHVAAJWMOVYMK-UHFFFAOYSA-N 0 0 330.497 4.234 50 0 EIAARN CC(C)NC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064472709 564091475 /nfs/dbraw/zinc/09/14/75/564091475.db2.gz UTLDLIFCFKPPET-UHFFFAOYSA-N 0 0 328.412 4.483 50 0 EIAARN Cc1onc(-c2ccccc2F)c1C(=O)NCc1ccccc1Cl ZINC000064473042 564091555 /nfs/dbraw/zinc/09/15/55/564091555.db2.gz YWEVRDRPHWTDIF-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN Cc1cc2occ(CC(=O)Nc3ccc4c(c3)OCCO4)c2cc1C ZINC000006552284 564091929 /nfs/dbraw/zinc/09/19/29/564091929.db2.gz XFICGMWXERIWTH-UHFFFAOYSA-N 0 0 337.375 4.002 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)CCCOc1cccc(C)c1 ZINC000006559236 564092097 /nfs/dbraw/zinc/09/20/97/564092097.db2.gz HPJWQFGATUIULG-MRXNPFEDSA-N 0 0 327.424 4.040 50 0 EIAARN Fc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000006584523 564092318 /nfs/dbraw/zinc/09/23/18/564092318.db2.gz PRDNNQLUOHGMFU-JKSUJKDBSA-N 0 0 328.778 4.217 50 0 EIAARN CCOc1ccc(OCCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000006588807 564092388 /nfs/dbraw/zinc/09/23/88/564092388.db2.gz PRPLNECYQGXMIE-UHFFFAOYSA-N 0 0 349.814 4.155 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)c1ccccc1C(=O)c1ccccc1 ZINC000006589933 564092394 /nfs/dbraw/zinc/09/23/94/564092394.db2.gz SEDWZKORGBOITK-UHFFFAOYSA-N 0 0 341.370 4.046 50 0 EIAARN C[C@@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000064580998 564092518 /nfs/dbraw/zinc/09/25/18/564092518.db2.gz INZNTPCFHWRIKV-AWEZNQCLSA-N 0 0 339.826 4.059 50 0 EIAARN Cc1ccc(CN(C)c2ncnc3sc4c(c32)CC[C@H](C)C4)o1 ZINC000006602746 564092857 /nfs/dbraw/zinc/09/28/57/564092857.db2.gz HHAIXBHLGRNDGL-NSHDSACASA-N 0 0 327.453 4.354 50 0 EIAARN Cc1c(C(=O)N2CC=C(c3cccs3)CC2)oc2c1C(=O)CCC2 ZINC000089568160 564092914 /nfs/dbraw/zinc/09/29/14/564092914.db2.gz MAPBJZDUKISPGQ-UHFFFAOYSA-N 0 0 341.432 4.098 50 0 EIAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(F)c2)s1 ZINC000006604131 564093024 /nfs/dbraw/zinc/09/30/24/564093024.db2.gz XFBHVUYQRCHAAL-UHFFFAOYSA-N 0 0 338.429 4.045 50 0 EIAARN Clc1cccc(COc2ccccc2-c2cnc3nncn3c2)c1 ZINC000426361921 564093468 /nfs/dbraw/zinc/09/34/68/564093468.db2.gz JSUIYUDWZPECEG-UHFFFAOYSA-N 0 0 336.782 4.024 50 0 EIAARN CCN(Cc1ccc(C)o1)C(=O)Nc1cc2nc[nH]c2c(C)c1C ZINC000426509844 564093906 /nfs/dbraw/zinc/09/39/06/564093906.db2.gz BSQXAASZRCPNIX-UHFFFAOYSA-N 0 0 326.400 4.135 50 0 EIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)NCc1cc(F)ccc1F ZINC000426500066 564093915 /nfs/dbraw/zinc/09/39/15/564093915.db2.gz HHSAJEFMSHMVMF-GOSISDBHSA-N 0 0 347.409 4.433 50 0 EIAARN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)n1C(F)F ZINC000426523718 564093976 /nfs/dbraw/zinc/09/39/76/564093976.db2.gz SZCHCYRIZNAYNB-HNNXBMFYSA-N 0 0 332.394 4.457 50 0 EIAARN CCCC[C@H]1C=CCN1C(=O)Nc1ccc(-c2nnc(C)o2)cc1 ZINC000426533752 564094014 /nfs/dbraw/zinc/09/40/14/564094014.db2.gz HCYYLPFLHKOKIX-INIZCTEOSA-N 0 0 326.400 4.008 50 0 EIAARN CN(CCC[C@@H]1CCCO1)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000426531889 564094022 /nfs/dbraw/zinc/09/40/22/564094022.db2.gz ZRCHNDCEIWIXTL-CYBMUJFWSA-N 0 0 345.270 4.094 50 0 EIAARN CC(C)N(C(=O)c1ccccc1-c1cnc(N)c(Cl)c1)C(C)C ZINC000426544634 564094071 /nfs/dbraw/zinc/09/40/71/564094071.db2.gz FBQPBSBTJAUZLE-UHFFFAOYSA-N 0 0 331.847 4.243 50 0 EIAARN O=C(c1cc(Cl)c[nH]1)N(C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000426580638 564094133 /nfs/dbraw/zinc/09/41/33/564094133.db2.gz DPAOCAKFXOXIQZ-IOMDMTNGSA-N 0 0 344.842 4.003 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000006610907 564094521 /nfs/dbraw/zinc/09/45/21/564094521.db2.gz PXMOPRWPUMHLNM-GFCCVEGCSA-N 0 0 340.448 4.497 50 0 EIAARN Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2ccc(Cl)nc2)cc1C ZINC000006635093 564094697 /nfs/dbraw/zinc/09/46/97/564094697.db2.gz OEEYENBZJIYOBB-ZDUSSCGKSA-N 0 0 331.799 4.088 50 0 EIAARN Cc1ccc2c(cnn2C(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000064662599 564094849 /nfs/dbraw/zinc/09/48/49/564094849.db2.gz QVJYZCAFAGQGEN-UHFFFAOYSA-N 0 0 344.212 4.496 50 0 EIAARN O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C1CCC1 ZINC000006639071 564094872 /nfs/dbraw/zinc/09/48/72/564094872.db2.gz RJHFIULKBUSMIQ-FQEVSTJZSA-N 0 0 333.387 4.435 50 0 EIAARN Cc1ccc(Cn2ncc3ccc(C(=O)NC4CCCC4)cc32)cc1 ZINC000064664839 564094900 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346.386 4.200 50 0 EIAARN CNC(=O)c1cn(-c2ccccc2)nc1-c1cccc2ccccc21 ZINC000065515040 564106714 /nfs/dbraw/zinc/10/67/14/564106714.db2.gz NUZJCHUCPHAKPR-UHFFFAOYSA-N 0 0 327.387 4.052 50 0 EIAARN CCc1nc2cc(NC(=O)c3cc4ccc(OC)cc4[nH]3)ccc2o1 ZINC000065521558 564106855 /nfs/dbraw/zinc/10/68/55/564106855.db2.gz WEFJLUZYXDSTCZ-UHFFFAOYSA-N 0 0 335.363 4.132 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000065530482 564106903 /nfs/dbraw/zinc/10/69/03/564106903.db2.gz QZJMEIVRROYAGG-PWSUYJOCSA-N 0 0 343.452 4.224 50 0 EIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1cc2c(c(Cl)c1)OCO2 ZINC000007364625 564107581 /nfs/dbraw/zinc/10/75/81/564107581.db2.gz BMSXMDSNSLDJNK-KRWDZBQOSA-N 0 0 344.798 4.045 50 0 EIAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc(N2CC[C@@H](C)C2)cc1 ZINC000065585268 564107793 /nfs/dbraw/zinc/10/77/93/564107793.db2.gz WAUPCKCDXATISF-CYBMUJFWSA-N 0 0 327.428 4.205 50 0 EIAARN CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007403320 564107920 /nfs/dbraw/zinc/10/79/20/564107920.db2.gz PAWNRQIVPOCFQY-UHFFFAOYSA-N 0 0 337.444 4.154 50 0 EIAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 ZINC000007405365 564107967 /nfs/dbraw/zinc/10/79/67/564107967.db2.gz KFEDWEQXAOIRAP-UHFFFAOYSA-N 0 0 325.380 4.063 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C[C@@H](C)C1CC1 ZINC000065592103 564107986 /nfs/dbraw/zinc/10/79/86/564107986.db2.gz LZOVLYBHHPAYSE-RDTXWAMCSA-N 0 0 325.456 4.156 50 0 EIAARN Cc1cccc(OC(F)F)c1NC(=O)N1CCc2ccccc2C1 ZINC000065593131 564108030 /nfs/dbraw/zinc/10/80/30/564108030.db2.gz NOQZQTVNDLTJMC-UHFFFAOYSA-N 0 0 332.350 4.187 50 0 EIAARN O=C(c1ccnc(Oc2ccccc2)c1)N(Cc1cccnc1)C1CC1 ZINC000065608829 564108255 /nfs/dbraw/zinc/10/82/55/564108255.db2.gz INVOPDJVKQCZDN-UHFFFAOYSA-N 0 0 345.402 4.074 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000007425143 564108367 /nfs/dbraw/zinc/10/83/67/564108367.db2.gz AOUNFLFFRIDJPB-AWEZNQCLSA-N 0 0 337.398 4.277 50 0 EIAARN Cc1ccccc1C(=O)N[C@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000526052148 564108624 /nfs/dbraw/zinc/10/86/24/564108624.db2.gz ADJHFANEKBBQIM-KRWDZBQOSA-N 0 0 335.407 4.172 50 0 EIAARN CCc1nnc(-c2cc3ccccc3n2CC(=O)c2ccccc2)o1 ZINC000007452240 564108648 /nfs/dbraw/zinc/10/86/48/564108648.db2.gz JEVGHRIGWIKEDQ-UHFFFAOYSA-N 0 0 331.375 4.137 50 0 EIAARN COc1ccc(NC(=O)c2sc3ccccc3c2C)c(OC)c1 ZINC000007461881 564108665 /nfs/dbraw/zinc/10/86/65/564108665.db2.gz HZQSMPWFWJTDQP-UHFFFAOYSA-N 0 0 327.405 4.479 50 0 EIAARN Cc1nsc(NC(=O)Cc2ccc(Br)cc2)c1Cl ZINC000170598536 564109232 /nfs/dbraw/zinc/10/92/32/564109232.db2.gz KUJHZKAJAHLRTD-UHFFFAOYSA-N 0 0 345.649 4.049 50 0 EIAARN Cc1ccc(-n2c(N)c(C(=O)N3CCCCCC3)sc2=S)cc1 ZINC000007499897 564109282 /nfs/dbraw/zinc/10/92/82/564109282.db2.gz NHLWRJDGWYETDZ-UHFFFAOYSA-N 0 0 347.509 4.175 50 0 EIAARN CCCNc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000170614795 564109975 /nfs/dbraw/zinc/10/99/75/564109975.db2.gz UYINLAHLWGHDAY-CQSZACIVSA-N 0 0 346.858 4.246 50 0 EIAARN OCCc1ccccc1OCc1nc(-c2c(F)cccc2F)cs1 ZINC000170616282 564110043 /nfs/dbraw/zinc/11/00/43/564110043.db2.gz RYLNKBTVVVPTRJ-UHFFFAOYSA-N 0 0 347.386 4.202 50 0 EIAARN COC(=O)Nc1ccc(O[C@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000170616318 564110055 /nfs/dbraw/zinc/11/00/55/564110055.db2.gz RDMKIFGPXJZKOR-GFCCVEGCSA-N 0 0 339.351 4.055 50 0 EIAARN CC(C)[C@H]1CCCN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1 ZINC000170627040 564110546 /nfs/dbraw/zinc/11/05/46/564110546.db2.gz KPLCZTHZCYHJSP-AWEZNQCLSA-N 0 0 328.412 4.083 50 0 EIAARN CC1(C)Cc2ccc(C(=O)N3CCC[C@@]4(CC=CCC4)C3)c(O)c2O1 ZINC000170626940 564110549 /nfs/dbraw/zinc/11/05/49/564110549.db2.gz MENAOTRHNHJPPC-NRFANRHFSA-N 0 0 341.451 4.068 50 0 EIAARN Cc1cc(F)cc2[nH]c(C(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)cc21 ZINC000170631065 564110658 /nfs/dbraw/zinc/11/06/58/564110658.db2.gz LXNHWEMYAUOYTE-SCLBCKFNSA-N 0 0 346.446 4.187 50 0 EIAARN O=C(Nc1ccc(-c2ccccc2)cn1)c1ccccc1-n1cccn1 ZINC000071820077 564111271 /nfs/dbraw/zinc/11/12/71/564111271.db2.gz PMENGJVMKUMWGC-UHFFFAOYSA-N 0 0 340.386 4.187 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=S)NC3CCCCCC3)ccc12 ZINC000013330394 564111614 /nfs/dbraw/zinc/11/16/14/564111614.db2.gz NFLOKUVCEDRDNY-UHFFFAOYSA-N 0 0 330.453 4.111 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000249698292 564111680 /nfs/dbraw/zinc/11/16/80/564111680.db2.gz VWSQRUYGMQXJDH-RBSFLKMASA-N 0 0 345.512 4.089 50 0 EIAARN COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000013746728 564112006 /nfs/dbraw/zinc/11/20/06/564112006.db2.gz UEOIKFQRWGKQQG-CQSZACIVSA-N 0 0 340.423 4.479 50 0 EIAARN O=C(CCCc1cccs1)Nc1nnc(-c2ccccc2)s1 ZINC000014108553 564112169 /nfs/dbraw/zinc/11/21/69/564112169.db2.gz MRBXECAMMNWFSV-UHFFFAOYSA-N 0 0 329.450 4.228 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)C1(C)C ZINC000014125218 564112207 /nfs/dbraw/zinc/11/22/07/564112207.db2.gz DBQCPIHRTPVFPN-BBRMVZONSA-N 0 0 334.847 4.475 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000014203725 564112329 /nfs/dbraw/zinc/11/23/29/564112329.db2.gz CYAUTZTWQMGLJQ-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN O=C(Nc1ccccc1SC(F)F)c1ccc2c(c1)OCCO2 ZINC000014603399 564112514 /nfs/dbraw/zinc/11/25/14/564112514.db2.gz LRVCABMHSBISDI-UHFFFAOYSA-N 0 0 337.347 4.025 50 0 EIAARN Cc1cc(NC(=O)N(C)C2CCCCCC2)n(Cc2ccccc2)n1 ZINC000089594265 564112647 /nfs/dbraw/zinc/11/26/47/564112647.db2.gz XUYYZAHRMAFPSA-UHFFFAOYSA-N 0 0 340.471 4.426 50 0 EIAARN Cc1nnc(-c2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)o1 ZINC000089643354 564112868 /nfs/dbraw/zinc/11/28/68/564112868.db2.gz AQXRKBQIENVARH-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN Cc1csc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000089705624 564113224 /nfs/dbraw/zinc/11/32/24/564113224.db2.gz SBWPTROQOPTBGB-QGZVFWFLSA-N 0 0 329.856 4.379 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000089768102 564113609 /nfs/dbraw/zinc/11/36/09/564113609.db2.gz RLQXYMSQSLMRSA-QLFBSQMISA-N 0 0 349.421 4.066 50 0 EIAARN O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccc(O)cc1 ZINC000089794442 564113866 /nfs/dbraw/zinc/11/38/66/564113866.db2.gz OGFFXMSHUFEPRI-OAHLLOKOSA-N 0 0 338.388 4.038 50 0 EIAARN O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000089818797 564114001 /nfs/dbraw/zinc/11/40/01/564114001.db2.gz JXWHJJPHFGLNHC-IVZWLZJFSA-N 0 0 348.394 4.037 50 0 EIAARN CC[C@@H](NC(=O)N[C@H](C)c1c(C)noc1C)c1cc(F)ccc1F ZINC000076019956 564114530 /nfs/dbraw/zinc/11/45/30/564114530.db2.gz UQVGDOZWQYWLFB-RFAUZJTJSA-N 0 0 337.370 4.081 50 0 EIAARN NC(=O)c1cccc(CNc2cccc(CSc3ccccn3)c2)c1 ZINC000089883936 564114706 /nfs/dbraw/zinc/11/47/06/564114706.db2.gz RLBLHZRVZXOKKQ-UHFFFAOYSA-N 0 0 349.459 4.085 50 0 EIAARN Cc1nc([C@@H]2CCCN2C(=O)C2CCC(c3ccccc3)CC2)no1 ZINC000076046554 564114886 /nfs/dbraw/zinc/11/48/86/564114886.db2.gz VOSHPGKPWHWWLG-ABHNRTSZSA-N 0 0 339.439 4.016 50 0 EIAARN C[C@@H](NC(=O)CCCc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000089904760 564114993 /nfs/dbraw/zinc/11/49/93/564114993.db2.gz GXDJTSRUAGLKGP-CYBMUJFWSA-N 0 0 336.357 4.301 50 0 EIAARN C[C@H](NC(=O)CCC(=O)Nc1cccc(Cl)c1F)c1ccccc1 ZINC000089905559 564115084 /nfs/dbraw/zinc/11/50/84/564115084.db2.gz IBJOFXPJUBHPCE-LBPRGKRZSA-N 0 0 348.805 4.075 50 0 EIAARN CC[C@@H](NC(=O)Nc1cccc(-c2ncc(C)o2)c1)c1ccncc1 ZINC000076070404 564115356 /nfs/dbraw/zinc/11/53/56/564115356.db2.gz DUWLWKVDKHAPQI-QGZVFWFLSA-N 0 0 336.395 4.318 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2nc(C3CC3)cs2)C[C@@H](c2ccsc2)O1 ZINC000089937005 564115512 /nfs/dbraw/zinc/11/55/12/564115512.db2.gz JSXDLQLJINFWEM-YGRLFVJLSA-N 0 0 349.481 4.076 50 0 EIAARN CCOC[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1 ZINC000089986708 564116064 /nfs/dbraw/zinc/11/60/64/564116064.db2.gz LFGRKYOKSXEOSZ-AWEZNQCLSA-N 0 0 347.455 4.361 50 0 EIAARN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1sccc1SC ZINC000271421231 564116235 /nfs/dbraw/zinc/11/62/35/564116235.db2.gz FJBARZIPNQGGJY-IINYFYTJSA-N 0 0 339.457 4.115 50 0 EIAARN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1sccc1SC ZINC000271421233 564116261 /nfs/dbraw/zinc/11/62/61/564116261.db2.gz FJBARZIPNQGGJY-QMTHXVAHSA-N 0 0 339.457 4.115 50 0 EIAARN Cc1ccc(OC[C@@H](O)CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000000072602 564116639 /nfs/dbraw/zinc/11/66/39/564116639.db2.gz GNHTUHAKLRCKBW-QFIPXVFZSA-N 0 0 347.458 4.442 50 0 EIAARN CSc1ccc([C@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 ZINC000000221969 564116656 /nfs/dbraw/zinc/11/66/56/564116656.db2.gz XIRDQZVOWARVPD-UONOGXRCSA-N 0 0 328.466 4.208 50 0 EIAARN CSc1ccccc1NC(=O)CC(=O)Nc1ccccc1SC ZINC000002876531 564117082 /nfs/dbraw/zinc/11/70/82/564117082.db2.gz OTXSKTMBTIAPLD-UHFFFAOYSA-N 0 0 346.477 4.098 50 0 EIAARN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](CCC(C)C)C1CC1 ZINC000027110892 564117386 /nfs/dbraw/zinc/11/73/86/564117386.db2.gz HRJYLXNCJSPGAG-UHFFFAOYSA-N 0 0 343.515 4.044 50 0 EIAARN CCCCc1ccc(NC(=O)c2nc(SC)ncc2Cl)cc1 ZINC000006698073 564117441 /nfs/dbraw/zinc/11/74/41/564117441.db2.gz CIWKRMMUVDETLX-UHFFFAOYSA-N 0 0 335.860 4.447 50 0 EIAARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(C)c(C)c2)CO1 ZINC000002123572 564118427 /nfs/dbraw/zinc/11/84/27/564118427.db2.gz PPPHUHDJCVWKCL-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc[nH]c3C3CC3)cc2)n1 ZINC000252480280 564119184 /nfs/dbraw/zinc/11/91/84/564119184.db2.gz BZHHRIQDLCQTAZ-HNNXBMFYSA-N 0 0 348.450 4.186 50 0 EIAARN C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)CCC(F)(F)F ZINC000252481212 564119223 /nfs/dbraw/zinc/11/92/23/564119223.db2.gz CIMLFMCIULDKCD-ZEDNOMKYSA-N 0 0 334.281 4.347 50 0 EIAARN CC(C)(C)OC(=O)Nc1ccccc1NCc1cccc2c1OCO2 ZINC000252489326 564119447 /nfs/dbraw/zinc/11/94/47/564119447.db2.gz JOFUKEYPAQNXSC-UHFFFAOYSA-N 0 0 342.395 4.374 50 0 EIAARN O=C(C[C@H]1CCCOC1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000193377448 564119472 /nfs/dbraw/zinc/11/94/72/564119472.db2.gz YDEFKMPHKBDWAX-CYBMUJFWSA-N 0 0 346.814 4.283 50 0 EIAARN COc1ccc([C@H](CCNC(=O)[C@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000002148423 564119500 /nfs/dbraw/zinc/11/95/00/564119500.db2.gz BNSRXZJARXDPQG-PKOBYXMFSA-N 0 0 347.499 4.146 50 0 biogenic EIAARN CCCCOc1c(Cl)cc(/C=C2/N=C(C)OC2=O)cc1OCC ZINC000002160019 564119649 /nfs/dbraw/zinc/11/96/49/564119649.db2.gz DZXGNRKHDVQWCH-NTEUORMPSA-N 0 0 337.803 4.234 50 0 EIAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1coc(C2CCC2)n1 ZINC000193913302 564120346 /nfs/dbraw/zinc/12/03/46/564120346.db2.gz WRBMPHUANHMPGM-UHFFFAOYSA-N 0 0 348.786 4.009 50 0 EIAARN Cc1nnc(-c2ccc(NC(=O)N3[C@H](C)C[C@H]4CCCC[C@H]43)cc2)o1 ZINC000252581878 564120783 /nfs/dbraw/zinc/12/07/83/564120783.db2.gz UKISCLLGHDCSJC-SRCQZFHVSA-N 0 0 340.427 4.230 50 0 EIAARN Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccccc4C)no3)CC2=O)c1 ZINC000007615822 564121008 /nfs/dbraw/zinc/12/10/08/564121008.db2.gz JCEORFYGCXZTKF-MRXNPFEDSA-N 0 0 347.418 4.182 50 0 EIAARN CCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1C1CC1 ZINC000007618649 564121031 /nfs/dbraw/zinc/12/10/31/564121031.db2.gz PHYMCHKHDZJQJE-LBPRGKRZSA-N 0 0 341.480 4.028 50 0 EIAARN COc1ccc(CN(C)[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000007682655 564121876 /nfs/dbraw/zinc/12/18/76/564121876.db2.gz NOOTWGBWDJAQTD-OAHLLOKOSA-N 0 0 337.423 4.247 50 0 EIAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000007725421 564122270 /nfs/dbraw/zinc/12/22/70/564122270.db2.gz LERWNHHPDSQCBN-UHFFFAOYSA-N 0 0 349.434 4.089 50 0 EIAARN c1ccc(Oc2ccc(OCc3ccc4c(c3)OCCO4)cc2)nc1 ZINC000065947762 564122480 /nfs/dbraw/zinc/12/24/80/564122480.db2.gz RNJQKHNXMDUTOX-UHFFFAOYSA-N 0 0 335.359 4.224 50 0 EIAARN Cc1ccccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000007756921 564122709 /nfs/dbraw/zinc/12/27/09/564122709.db2.gz LTMHKMNQCLFTOP-UHFFFAOYSA-N 0 0 340.423 4.272 50 0 EIAARN Cc1cccc(C)c1NC(=O)CN(Cc1ccc(F)cc1)C1CC1 ZINC000007757130 564122714 /nfs/dbraw/zinc/12/27/14/564122714.db2.gz BBUCAGAOIANBAM-UHFFFAOYSA-N 0 0 326.415 4.046 50 0 EIAARN O=C(CCC1CC1)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000195531261 564123609 /nfs/dbraw/zinc/12/36/09/564123609.db2.gz OTSPRZWFDQTRHX-QGZVFWFLSA-N 0 0 327.403 4.070 50 0 EIAARN C[C@@H]1c2ccsc2CCN1C(=O)CCc1nc2ccccc2s1 ZINC000007829671 564124102 /nfs/dbraw/zinc/12/41/02/564124102.db2.gz GXFRREOWQMFXKM-GFCCVEGCSA-N 0 0 342.489 4.436 50 0 EIAARN CNc1nc(-c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)cs1 ZINC000007844423 564124190 /nfs/dbraw/zinc/12/41/90/564124190.db2.gz LCJZCKKKTKOTGT-UHFFFAOYSA-N 0 0 341.436 4.047 50 0 EIAARN CN(Cc1ccsc1)C(=O)CSc1nc2ccccc2s1 ZINC000007883910 564124345 /nfs/dbraw/zinc/12/43/45/564124345.db2.gz GNHBGWMHCWDHKK-UHFFFAOYSA-N 0 0 334.491 4.109 50 0 EIAARN O=C(COc1ccc(F)cc1)N[C@H](c1cccs1)c1ccccc1 ZINC000007890129 564124440 /nfs/dbraw/zinc/12/44/40/564124440.db2.gz KSEBEQCAWFPHLA-IBGZPJMESA-N 0 0 341.407 4.172 50 0 EIAARN Cc1sc(=NC(=O)c2ccco2)n(C)c1-c1ccc(Cl)cc1 ZINC000252669413 564124802 /nfs/dbraw/zinc/12/48/02/564124802.db2.gz HLDNTBDDSZYDMO-UHFFFAOYSA-N 0 0 332.812 4.050 50 0 EIAARN CCOc1ccc([C@H]2CCCN2c2ncnc3sccc32)cc1 ZINC000007903469 564124978 /nfs/dbraw/zinc/12/49/78/564124978.db2.gz UFZQGXLEROCNAJ-MRXNPFEDSA-N 0 0 325.437 4.432 50 0 EIAARN COC(=O)c1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 ZINC000000382413 564125199 /nfs/dbraw/zinc/12/51/99/564125199.db2.gz IOZWRQMAQAOQRO-FQEVSTJZSA-N 0 0 347.418 4.234 50 0 EIAARN Clc1ccc(-n2cnc3c2ncnc3NCc2ccccc2)cc1 ZINC000019926073 564129109 /nfs/dbraw/zinc/12/91/09/564129109.db2.gz KREROWLZNXNQBI-UHFFFAOYSA-N 0 0 335.798 4.081 50 0 EIAARN COc1ccc(-n2cnc3c2ncnc3Nc2ccc(C)cc2C)cc1 ZINC000019926072 564129111 /nfs/dbraw/zinc/12/91/11/564129111.db2.gz IKZYZSQMLKJFCD-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN C[C@@H]1CCC[C@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)[C@H]1C ZINC000253369411 564130280 /nfs/dbraw/zinc/13/02/80/564130280.db2.gz CFYJWEVOTAVRLM-WQYJIASKSA-N 0 0 349.540 4.351 50 0 EIAARN CCC(C)(C)C1CCC(CC(=O)N2CCC[C@@H]2c2nncn2C)CC1 ZINC000253392165 564130461 /nfs/dbraw/zinc/13/04/61/564130461.db2.gz FBJGYGDGGXGAKG-OFLPRAFFSA-N 0 0 346.519 4.111 50 0 EIAARN Nc1c(Cl)ccc(C(=O)Nc2cccc(-n3cccn3)c2)c1Cl ZINC000253404929 564130610 /nfs/dbraw/zinc/13/06/10/564130610.db2.gz FYZZGUCTZGZEEY-UHFFFAOYSA-N 0 0 347.205 4.014 50 0 EIAARN Cc1cc2ncn([C@@H](C)c3nc(-c4cnccn4)cs3)c2cc1C ZINC000253416522 564130758 /nfs/dbraw/zinc/13/07/58/564130758.db2.gz NKRJZJJMFGGHGV-ZDUSSCGKSA-N 0 0 335.436 4.176 50 0 EIAARN CCN(C(=O)c1cncc(-c2ccccn2)c1)c1ccccc1Cl ZINC000253424759 564131094 /nfs/dbraw/zinc/13/10/94/564131094.db2.gz AIZXEDMVMZONNT-UHFFFAOYSA-N 0 0 337.810 4.464 50 0 EIAARN C[C@H](c1ccccc1)N(Cc1nnnn1-c1ccccc1)C1CCCC1 ZINC000253429562 564131265 /nfs/dbraw/zinc/13/12/65/564131265.db2.gz NRSUBNLZIYBFNZ-QGZVFWFLSA-N 0 0 347.466 4.168 50 0 EIAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253498202 564132746 /nfs/dbraw/zinc/13/27/46/564132746.db2.gz NCMZQTLCXHGLOK-ZSPTZRBXSA-N 0 0 330.468 4.450 50 0 EIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1C ZINC000002398670 564134506 /nfs/dbraw/zinc/13/45/06/564134506.db2.gz QHPZCZXTQGTTNA-UHFFFAOYSA-N 0 0 339.370 4.064 50 0 EIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1C ZINC000002408688 564134624 /nfs/dbraw/zinc/13/46/24/564134624.db2.gz QOVNVWNABIRTOM-UHFFFAOYSA-N 0 0 339.370 4.064 50 0 EIAARN COc1cccc(CSc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000002416070 564134777 /nfs/dbraw/zinc/13/47/77/564134777.db2.gz CCGNLGHDKRJKFR-UHFFFAOYSA-N 0 0 348.431 4.116 50 0 EIAARN COC(=O)c1sccc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000012756064 564135507 /nfs/dbraw/zinc/13/55/07/564135507.db2.gz ZQMNPRSCQUNHLR-UHFFFAOYSA-N 0 0 344.219 4.023 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cc(C)ccc1F ZINC000012984622 564135783 /nfs/dbraw/zinc/13/57/83/564135783.db2.gz UZCWVGCWVOQDHO-UHFFFAOYSA-N 0 0 341.361 4.328 50 0 EIAARN Cc1ccc(CNC(=O)COc2cccc(Oc3ccccc3)c2)cc1 ZINC000012979589 564135804 /nfs/dbraw/zinc/13/58/04/564135804.db2.gz HEHBHFSEYWXAKE-UHFFFAOYSA-N 0 0 347.414 4.483 50 0 EIAARN Oc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)c1 ZINC000013036282 564135923 /nfs/dbraw/zinc/13/59/23/564135923.db2.gz QNFOBAHMJAUJLQ-TZIWHRDSSA-N 0 0 343.386 4.030 50 0 EIAARN CN(CC(=O)Nc1cccc(F)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000013060672 564135967 /nfs/dbraw/zinc/13/59/67/564135967.db2.gz KEWNZOOOOUUYAS-UHFFFAOYSA-N 0 0 341.213 4.203 50 0 EIAARN COc1cccc(-c2noc(COc3cc(C)ccc3Cl)n2)c1 ZINC000013058394 564135971 /nfs/dbraw/zinc/13/59/71/564135971.db2.gz UAYGZCCDOLRARB-UHFFFAOYSA-N 0 0 330.771 4.286 50 0 EIAARN COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000013070419 564135995 /nfs/dbraw/zinc/13/59/95/564135995.db2.gz XPJJEWRJGUARBO-ZDUSSCGKSA-N 0 0 332.831 4.405 50 0 EIAARN Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000078848869 564137262 /nfs/dbraw/zinc/13/72/62/564137262.db2.gz GCDRXYGDMAFIPV-IFXJQAMLSA-N 0 0 343.471 4.309 50 0 EIAARN Cc1nnc([C@@H](C)Nc2ccc(OCc3cccc(F)c3)c(F)c2)o1 ZINC000079030588 564137712 /nfs/dbraw/zinc/13/77/12/564137712.db2.gz QDEJPWUCKWKSFK-LLVKDONJSA-N 0 0 345.349 4.408 50 0 EIAARN Cc1cc2oc(NC(=O)CCCc3ccccn3)nc2c(C)c1Cl ZINC000079065713 564137796 /nfs/dbraw/zinc/13/77/96/564137796.db2.gz VOFCPYWKQZLMOD-UHFFFAOYSA-N 0 0 343.814 4.454 50 0 EIAARN O=C(COCc1ccccc1)N[C@@H](c1ccsc1)c1cccs1 ZINC000390826318 564138465 /nfs/dbraw/zinc/13/84/65/564138465.db2.gz IBDOEHLYVGKOJL-SFHVURJKSA-N 0 0 343.473 4.232 50 0 EIAARN CCCc1nnsc1C(=O)N[C@H](c1ccsc1)c1cccs1 ZINC000390826782 564138509 /nfs/dbraw/zinc/13/85/09/564138509.db2.gz PJWPWOPUMCBFRI-CYBMUJFWSA-N 0 0 349.506 4.133 50 0 EIAARN O=S(=O)(NC1(c2cccs2)CCCC1)c1ccccc1Cl ZINC000390828039 564138543 /nfs/dbraw/zinc/13/85/43/564138543.db2.gz NUZLFVLVCJYIBK-UHFFFAOYSA-N 0 0 341.885 4.149 50 0 EIAARN CN(C)c1cccc(C(=O)N2CCCC[C@@H]2CSC(C)(C)C)c1 ZINC000390831017 564138692 /nfs/dbraw/zinc/13/86/92/564138692.db2.gz PCNFEQHOUCVGSU-QGZVFWFLSA-N 0 0 334.529 4.279 50 0 EIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cccc2ccsc21 ZINC000390833388 564138773 /nfs/dbraw/zinc/13/87/73/564138773.db2.gz GUQFWZUXXAZNMK-UHFFFAOYSA-N 0 0 340.404 4.121 50 0 EIAARN CC(C)c1ncncc1C(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000390833698 564138839 /nfs/dbraw/zinc/13/88/39/564138839.db2.gz LRJRXFWQMWZPLV-UHFFFAOYSA-N 0 0 332.816 4.115 50 0 EIAARN CC(C)NC(=O)Nc1ccccc1NC(=O)c1cncc2ccccc21 ZINC000390835185 564138979 /nfs/dbraw/zinc/13/89/79/564138979.db2.gz GCEIPLJOTHSQSK-UHFFFAOYSA-N 0 0 348.406 4.017 50 0 EIAARN C[C@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000095431337 564140333 /nfs/dbraw/zinc/14/03/33/564140333.db2.gz GZPZLIGQTUSICN-JKSUJKDBSA-N 0 0 340.423 4.104 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)N(c2cnc3ccccc3c2)C(C)C)c1C ZINC000279653433 564140495 /nfs/dbraw/zinc/14/04/95/564140495.db2.gz HQOMKXRFZQBWOE-UHFFFAOYSA-N 0 0 349.434 4.438 50 0 EIAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 ZINC000095460466 564140807 /nfs/dbraw/zinc/14/08/07/564140807.db2.gz CCIPPCPLZSGBOJ-UHFFFAOYSA-N 0 0 326.421 4.045 50 0 EIAARN C[C@@H]1CC(C)(C)N(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21 ZINC000095465826 564140996 /nfs/dbraw/zinc/14/09/96/564140996.db2.gz GPKCJUGOAHTCPA-OAHLLOKOSA-N 0 0 346.434 4.200 50 0 EIAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1c(Cl)cccc1Cl ZINC000080582888 564141379 /nfs/dbraw/zinc/14/13/79/564141379.db2.gz KXBHGSKJGIYAGX-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ccccn1 ZINC000095476775 564141456 /nfs/dbraw/zinc/14/14/56/564141456.db2.gz MGAQZACKDRTMGR-MRXNPFEDSA-N 0 0 339.826 4.349 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000095953252 564142364 /nfs/dbraw/zinc/14/23/64/564142364.db2.gz WYIFFHPMNKYILY-IBGZPJMESA-N 0 0 326.440 4.368 50 0 EIAARN CCc1onc(C)c1NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000156220127 564142383 /nfs/dbraw/zinc/14/23/83/564142383.db2.gz XZVYMNCZQGIAAQ-UHFFFAOYSA-N 0 0 340.383 4.461 50 0 EIAARN CC1CCC(N(C)C(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000095954176 564142451 /nfs/dbraw/zinc/14/24/51/564142451.db2.gz MRFSKGMXRIVUQE-UHFFFAOYSA-N 0 0 330.476 4.114 50 0 EIAARN CCCn1ccc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc21 ZINC000095956817 564142539 /nfs/dbraw/zinc/14/25/39/564142539.db2.gz DXZDXIKEFJLYKK-UHFFFAOYSA-N 0 0 337.379 4.424 50 0 EIAARN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000095957302 564142554 /nfs/dbraw/zinc/14/25/54/564142554.db2.gz IVXDWTPXIKDHQC-JTQLQIEISA-N 0 0 325.330 4.276 50 0 EIAARN CC[C@H](C)CN(C)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000095958293 564142580 /nfs/dbraw/zinc/14/25/80/564142580.db2.gz UBDGCTWKKUVZPP-ZDUSSCGKSA-N 0 0 329.400 4.042 50 0 EIAARN C[C@@H](Nc1ccc(C(=O)N2CCc3ccccc32)cn1)c1ccccc1 ZINC000095958743 564142638 /nfs/dbraw/zinc/14/26/38/564142638.db2.gz WJIVCNBAQMYMCP-MRXNPFEDSA-N 0 0 343.430 4.458 50 0 EIAARN CC[C@H](C)c1cc(C(=O)N(C)c2cc(-c3ccccc3C)[nH]n2)on1 ZINC000095961263 564142736 /nfs/dbraw/zinc/14/27/36/564142736.db2.gz SCWHRIKGXQNCGU-LBPRGKRZSA-N 0 0 338.411 4.163 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2cccc3[nH]ccc32)C[C@H](c2ccsc2)O1 ZINC000095965904 564142944 /nfs/dbraw/zinc/14/29/44/564142944.db2.gz ZPLYABLGEGUCBY-SJKOYZFVSA-N 0 0 341.436 4.223 50 0 EIAARN COc1cc(F)c(C(=O)N(C2CC2)C2CCC(C)CC2)cc1OC ZINC000095965856 564142950 /nfs/dbraw/zinc/14/29/50/564142950.db2.gz ZWDXBTVGOHYWNG-UHFFFAOYSA-N 0 0 335.419 4.026 50 0 EIAARN O=C1N[C@H](c2ncccc2C(F)(F)F)Nc2c3ccccc3sc21 ZINC000095979980 564143711 /nfs/dbraw/zinc/14/37/11/564143711.db2.gz FSDJBOCYHMVPPG-CQSZACIVSA-N 0 0 349.337 4.169 50 0 EIAARN CC(=O)Nc1cc(N[C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1C ZINC000095990610 564144132 /nfs/dbraw/zinc/14/41/32/564144132.db2.gz KILYJAWRHOHQTA-ZDUSSCGKSA-N 0 0 328.460 4.386 50 0 EIAARN Cc1noc(C)c1[C@@H](C)CC(=O)N(Cc1ccccc1)c1ccncc1 ZINC000095996667 564144310 /nfs/dbraw/zinc/14/43/10/564144310.db2.gz HIYSAOSTACENSC-HNNXBMFYSA-N 0 0 349.434 4.413 50 0 EIAARN O=C(/C=C/c1cccs1)NCc1cc(C2CC2)n(C2CCCC2)n1 ZINC000096104066 564145308 /nfs/dbraw/zinc/14/53/08/564145308.db2.gz KHZHPCKOFUHMDG-MDZDMXLPSA-N 0 0 341.480 4.267 50 0 EIAARN CO[C@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccccc1C ZINC000096105046 564145377 /nfs/dbraw/zinc/14/53/77/564145377.db2.gz KTHZRHZTMSWSRV-YFPIXMDGSA-N 0 0 341.476 4.234 50 0 EIAARN COc1ccc2cc(C(=O)N3CCC(c4cccs4)CC3)[nH]c2c1 ZINC000096120592 564145541 /nfs/dbraw/zinc/14/55/41/564145541.db2.gz XXJYQXDIJQIFQY-UHFFFAOYSA-N 0 0 340.448 4.258 50 0 EIAARN O=C(Nc1ccccc1Cl)[C@H]1CCCN1c1nc2ccccc2o1 ZINC000096122587 564145601 /nfs/dbraw/zinc/14/56/01/564145601.db2.gz DDWZNWACHYNZGQ-OAHLLOKOSA-N 0 0 341.798 4.089 50 0 EIAARN COC1(CNC(=O)Nc2ccccc2Cl)C2CC3CC(C2)CC1C3 ZINC000096123934 564145679 /nfs/dbraw/zinc/14/56/79/564145679.db2.gz GUDUTJGNOUHXST-UHFFFAOYSA-N 0 0 348.874 4.303 50 0 EIAARN CC1(C)CC(=O)Nc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc21 ZINC000096182997 564145878 /nfs/dbraw/zinc/14/58/78/564145878.db2.gz DKYCJPNBJNCDSN-CVEARBPZSA-N 0 0 334.419 4.049 50 0 EIAARN Cc1ccc(C(=O)N[C@H](c2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 ZINC000096277507 564146321 /nfs/dbraw/zinc/14/63/21/564146321.db2.gz WFHJYVWUVUWTEE-SFHVURJKSA-N 0 0 349.434 4.481 50 0 EIAARN Cc1ccc(-c2noc([C@H](NC(=O)c3ccccc3)C(C)C)n2)cc1 ZINC000096278369 564146349 /nfs/dbraw/zinc/14/63/49/564146349.db2.gz HQMGWBSXRUINEW-QGZVFWFLSA-N 0 0 335.407 4.172 50 0 EIAARN CCCCN(CCc1nc(-c2ccccc2)no1)C(=O)CC(C)(C)C ZINC000096293636 564146488 /nfs/dbraw/zinc/14/64/88/564146488.db2.gz AGQWLWUANKCRIL-UHFFFAOYSA-N 0 0 343.471 4.344 50 0 EIAARN C/C=C\c1ccc(OCc2csc(-c3cnn(C)c3)n2)c(OC)c1 ZINC000096308931 564146674 /nfs/dbraw/zinc/14/66/74/564146674.db2.gz CJNIPLYOBDSHAZ-PLNGDYQASA-N 0 0 341.436 4.164 50 0 EIAARN CC(C)c1noc(-c2ccccc2NC(=O)c2cccc(F)c2)n1 ZINC000096346409 564146860 /nfs/dbraw/zinc/14/68/60/564146860.db2.gz WRQSQJMJLMDWFW-UHFFFAOYSA-N 0 0 325.343 4.251 50 0 EIAARN CC[C@](CNC(=O)CCc1cccc(Cl)c1)(OC)c1ccccc1 ZINC000096391824 564147002 /nfs/dbraw/zinc/14/70/02/564147002.db2.gz GGEUSUMOORAHCW-HXUWFJFHSA-N 0 0 345.870 4.341 50 0 EIAARN O=C(Nc1ccc(SC(F)F)cc1)c1cc2c(s1)CCOC2 ZINC000096403900 564147216 /nfs/dbraw/zinc/14/72/16/564147216.db2.gz PBYWMQHIFKSTAA-UHFFFAOYSA-N 0 0 341.404 4.388 50 0 EIAARN Cc1ccccc1[C@H](C)CC(=O)N1CCC(OC2CCCC2)CC1 ZINC000096407212 564147399 /nfs/dbraw/zinc/14/73/99/564147399.db2.gz KRVPADKSPZXELH-QGZVFWFLSA-N 0 0 329.484 4.439 50 0 EIAARN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000096408340 564147504 /nfs/dbraw/zinc/14/75/04/564147504.db2.gz BBJBXRNLLZMVLJ-DEOSSOPVSA-N 0 0 341.476 4.005 50 0 EIAARN Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)Cc1cnccn1 ZINC000096410624 564147640 /nfs/dbraw/zinc/14/76/40/564147640.db2.gz DDLPBODBUJOESG-UHFFFAOYSA-N 0 0 344.484 4.340 50 0 EIAARN O=C(CC/C=C\c1ccccc1)N1CCC(OC2CCCC2)CC1 ZINC000096413803 564147665 /nfs/dbraw/zinc/14/76/65/564147665.db2.gz WWDBWYYUPJLUTC-WMZJFQQLSA-N 0 0 327.468 4.430 50 0 EIAARN CC[C@@](C)(NC(=O)c1sccc1Br)c1nccs1 ZINC000096416609 564147801 /nfs/dbraw/zinc/14/78/01/564147801.db2.gz VIBNJKYMZXJMPP-GFCCVEGCSA-N 0 0 345.287 4.022 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000096417938 564147838 /nfs/dbraw/zinc/14/78/38/564147838.db2.gz YYUYYXHJYNVSQH-SFHVURJKSA-N 0 0 340.427 4.045 50 0 EIAARN CC[C@](C)(NC(=O)Nc1cccc(OC(F)F)c1)c1nccs1 ZINC000096417960 564147875 /nfs/dbraw/zinc/14/78/75/564147875.db2.gz RUIDIODKHDXKTL-HNNXBMFYSA-N 0 0 341.383 4.191 50 0 EIAARN CN(C(=O)Nc1c(F)cccc1Oc1ccccc1)C1CCOCC1 ZINC000096445970 564148183 /nfs/dbraw/zinc/14/81/83/564148183.db2.gz NJJKRBLYTQLURL-UHFFFAOYSA-N 0 0 344.386 4.261 50 0 EIAARN CN(C(=O)c1cccc(F)c1Cl)c1ccc(-c2ccccc2)nn1 ZINC000096472896 564148383 /nfs/dbraw/zinc/14/83/83/564148383.db2.gz OXVPRQKZRTYUTP-UHFFFAOYSA-N 0 0 341.773 4.213 50 0 EIAARN C[C@@H](NC(=O)[C@H](C)C1CCOCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000096484921 564148688 /nfs/dbraw/zinc/14/86/88/564148688.db2.gz IPNDSAQBGIQIQT-GHMZBOCLSA-N 0 0 347.352 4.084 50 0 EIAARN CC(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000225671473 564148932 /nfs/dbraw/zinc/14/89/32/564148932.db2.gz WXSGSVSULOLBLL-UHFFFAOYSA-N 0 0 342.247 4.230 50 0 EIAARN Cc1cc(F)ccc1CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000097084918 564149387 /nfs/dbraw/zinc/14/93/87/564149387.db2.gz FDVCIWKTWXFACH-OAQYLSRUSA-N 0 0 325.836 4.278 50 0 EIAARN COc1ncccc1C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000097166835 564149494 /nfs/dbraw/zinc/14/94/94/564149494.db2.gz IINNUGMEUZKHBV-GFCCVEGCSA-N 0 0 330.815 4.109 50 0 EIAARN COc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1 ZINC000097165255 564149502 /nfs/dbraw/zinc/14/95/02/564149502.db2.gz JNXSBWRGXYEPOT-GOSISDBHSA-N 0 0 346.386 4.280 50 0 EIAARN CCn1ccnc1CNc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000097227729 564149568 /nfs/dbraw/zinc/14/95/68/564149568.db2.gz NZYPNFLLQJYDAX-LJQANCHMSA-N 0 0 341.842 4.250 50 0 EIAARN O=C(NC1CCCCC1)c1cc2c(s1)c1ccccc1oc2=O ZINC000002461356 564149674 /nfs/dbraw/zinc/14/96/74/564149674.db2.gz SBTZBDNZSVNIRR-UHFFFAOYSA-N 0 0 327.405 4.070 50 0 EIAARN CSc1cccc(C(=O)NCc2cccnc2-c2ccsc2)c1 ZINC000225647980 564150122 /nfs/dbraw/zinc/15/01/22/564150122.db2.gz ZFKSNWCKEVZLRM-UHFFFAOYSA-N 0 0 340.473 4.462 50 0 EIAARN O=C(NCc1cccnc1-c1ccsc1)c1c(F)cccc1F ZINC000225646773 564150133 /nfs/dbraw/zinc/15/01/33/564150133.db2.gz JMSIIQPNXNQHNK-UHFFFAOYSA-N 0 0 330.359 4.018 50 0 EIAARN C[C@@H](O)c1ccc(C2(CNC(=O)[C@@H]3CC=CCC3)CCCC2)s1 ZINC000225682473 564150271 /nfs/dbraw/zinc/15/02/71/564150271.db2.gz JTWQXJOTPKTTAY-HUUCEWRRSA-N 0 0 333.497 4.086 50 0 EIAARN C[C@@H](O)c1ccc(CCNC(=O)C2(c3cccs3)CCCC2)s1 ZINC000225687542 564150272 /nfs/dbraw/zinc/15/02/72/564150272.db2.gz UEPCXZHYQZFOAA-CYBMUJFWSA-N 0 0 349.521 4.034 50 0 EIAARN CSc1ccccc1[C@@H](C)NC(=O)NC[C@H](C)c1c(C)noc1C ZINC000225697586 564150333 /nfs/dbraw/zinc/15/03/33/564150333.db2.gz IPTGDQPWUHLVSB-NWDGAFQWSA-N 0 0 347.484 4.177 50 0 EIAARN CO[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccc(Cl)s1 ZINC000225709249 564150373 /nfs/dbraw/zinc/15/03/73/564150373.db2.gz PVHGKKKKQDIELT-SNVBAGLBSA-N 0 0 346.786 4.189 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000002543603 564150626 /nfs/dbraw/zinc/15/06/26/564150626.db2.gz PYUCKKYNWRPHDN-UHFFFAOYSA-N 0 0 345.402 4.104 50 0 EIAARN CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3o2)cc1 ZINC000002622422 564151247 /nfs/dbraw/zinc/15/12/47/564151247.db2.gz INUKHLSBWHSLIR-UHFFFAOYSA-N 0 0 340.404 4.151 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1nc2ccc(F)cc2s1 ZINC000002627340 564151360 /nfs/dbraw/zinc/15/13/60/564151360.db2.gz CMLAQZUWDWRJFB-UHFFFAOYSA-N 0 0 338.766 4.409 50 0 EIAARN CCOC(=O)c1c2cc(OC)ccc2oc1-c1ccc(OC)cc1 ZINC000002667423 564152099 /nfs/dbraw/zinc/15/20/99/564152099.db2.gz XEZGUJVZAJUTDE-UHFFFAOYSA-N 0 0 326.348 4.294 50 0 biogenic EIAARN CCc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000002692775 564152124 /nfs/dbraw/zinc/15/21/24/564152124.db2.gz QFKMMGXTZKTXKD-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN COc1cccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)c1 ZINC000002740876 564152407 /nfs/dbraw/zinc/15/24/07/564152407.db2.gz XTDDUTMJMWJBDO-UHFFFAOYSA-N 0 0 329.350 4.459 50 0 EIAARN O=C(c1ccn(C(F)F)n1)N(C1CCCCC1)C1CCCCC1 ZINC000002771030 564152555 /nfs/dbraw/zinc/15/25/55/564152555.db2.gz FKJTXVZHSITLKN-UHFFFAOYSA-N 0 0 325.403 4.386 50 0 EIAARN Cc1ccccc1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000002787506 564152640 /nfs/dbraw/zinc/15/26/40/564152640.db2.gz FLJLLICSYWVMMO-UHFFFAOYSA-N 0 0 341.798 4.134 50 0 EIAARN CCOc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1OC(F)F ZINC000002793429 564152678 /nfs/dbraw/zinc/15/26/78/564152678.db2.gz APMYXUXXNRTJJH-VXGBXAGGSA-N 0 0 327.371 4.090 50 0 EIAARN Fc1cccc(Cn2cc(NC(=S)NC3CCCCCC3)cn2)c1 ZINC000002802151 564152733 /nfs/dbraw/zinc/15/27/33/564152733.db2.gz XLLVSMFQEPFKKY-UHFFFAOYSA-N 0 0 346.475 4.080 50 0 EIAARN CCOc1cc(-c2nnc(-c3cccs3)o2)ccc1OC(F)F ZINC000002804204 564152769 /nfs/dbraw/zinc/15/27/69/564152769.db2.gz CIDQVQUMTYBLFR-UHFFFAOYSA-N 0 0 338.335 4.465 50 0 EIAARN CC(=O)N1CCc2sc(-c3csc(-c4ccc(C)o4)n3)cc2C1 ZINC000162449065 564152871 /nfs/dbraw/zinc/15/28/71/564152871.db2.gz RJIVWYHQFSHWDF-UHFFFAOYSA-N 0 0 344.461 4.345 50 0 EIAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 ZINC000002887813 564152941 /nfs/dbraw/zinc/15/29/41/564152941.db2.gz SMAGDXJMGWXPSM-UHFFFAOYSA-N 0 0 337.448 4.093 50 0 EIAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)ccc1OC ZINC000002908260 564152971 /nfs/dbraw/zinc/15/29/71/564152971.db2.gz ZBUXWFUXDPHRGA-OAHLLOKOSA-N 0 0 347.846 4.457 50 0 aggregator EIAARN Cc1ccc(NC(=O)Nc2nnc(N3CCCC[C@H]3C)s2)cc1C ZINC000002908392 564153008 /nfs/dbraw/zinc/15/30/08/564153008.db2.gz XRDQBQPMYQKNSI-CYBMUJFWSA-N 0 0 345.472 4.178 50 0 EIAARN COc1ccc(N[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1Cl ZINC000029408324 564153412 /nfs/dbraw/zinc/15/34/12/564153412.db2.gz INVDIDBPNYGGOO-CYBMUJFWSA-N 0 0 332.831 4.405 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(F)c1 ZINC000057412346 564154062 /nfs/dbraw/zinc/15/40/62/564154062.db2.gz YPSIUDGFZCPBMS-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN COc1cccc(-c2cc(C(=O)Nc3cccc(C(C)C)c3)n[nH]2)c1 ZINC000057412793 564154177 /nfs/dbraw/zinc/15/41/77/564154177.db2.gz WSJNEEXYHFJNPE-UHFFFAOYSA-N 0 0 335.407 4.461 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 ZINC000057413451 564154197 /nfs/dbraw/zinc/15/41/97/564154197.db2.gz LCXUTKBKWSWINT-NSHDSACASA-N 0 0 343.789 4.360 50 0 EIAARN O=C(NCc1ccccc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057413700 564154220 /nfs/dbraw/zinc/15/42/20/564154220.db2.gz XZWYXCJFAJFCNN-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN O=c1c2oc3ccccc3c2ncn1Cc1ccc(C(F)(F)F)cc1 ZINC000003007514 564154340 /nfs/dbraw/zinc/15/43/40/564154340.db2.gz STRYIKUXJLREGJ-UHFFFAOYSA-N 0 0 344.292 4.210 50 0 EIAARN O=C(COc1ccccc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000029849749 564154386 /nfs/dbraw/zinc/15/43/86/564154386.db2.gz UVSSZHRJXSQAMP-JOCHJYFZSA-N 0 0 343.426 4.240 50 0 EIAARN COc1ccc(NC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000003123388 564155291 /nfs/dbraw/zinc/15/52/91/564155291.db2.gz LMLNCDWVBWJMNN-UHFFFAOYSA-N 0 0 325.393 4.463 50 0 EIAARN O=C(Nc1nncs1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000057681932 564155454 /nfs/dbraw/zinc/15/54/54/564155454.db2.gz HUIDKMQGMFNXJI-BAUKFBFWSA-N 0 0 339.464 4.015 50 0 EIAARN O=C(Nc1ncccc1OC(F)F)c1cccc(Cl)c1Cl ZINC000057698283 564155502 /nfs/dbraw/zinc/15/55/02/564155502.db2.gz MWSWMMPXLRDWLK-UHFFFAOYSA-N 0 0 333.121 4.242 50 0 EIAARN O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1ccccc1 ZINC000003173699 564155656 /nfs/dbraw/zinc/15/56/56/564155656.db2.gz JHOJZPYNFCXTFQ-GDNBJRDFSA-N 0 0 344.823 4.446 50 0 EIAARN Cc1cc(C)n(CCc2nc(-c3ccc(OC(F)F)cc3)cs2)n1 ZINC000003206310 564155916 /nfs/dbraw/zinc/15/59/16/564155916.db2.gz DOUCVGIZAHXFMQ-UHFFFAOYSA-N 0 0 349.406 4.468 50 0 EIAARN c1ccc(COc2ccc(OCc3nnc4n3CCCCC4)cc2)cc1 ZINC000003241573 564156467 /nfs/dbraw/zinc/15/64/67/564156467.db2.gz LIKWARLEPUBKTK-UHFFFAOYSA-N 0 0 349.434 4.163 50 0 EIAARN COc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1OC ZINC000003242971 564156521 /nfs/dbraw/zinc/15/65/21/564156521.db2.gz QZHHZQVPLXDWHB-UHFFFAOYSA-N 0 0 340.297 4.080 50 0 EIAARN CC(C)CC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000003245263 564156548 /nfs/dbraw/zinc/15/65/48/564156548.db2.gz JARHLCYMVLSRPW-UHFFFAOYSA-N 0 0 343.448 4.366 50 0 EIAARN S=C(NC1CCCCC1)NN(Cc1ccccc1)c1ccccc1 ZINC000003255447 564156636 /nfs/dbraw/zinc/15/66/36/564156636.db2.gz ZLIFMNXUHNXQSP-UHFFFAOYSA-N 0 0 339.508 4.405 50 0 EIAARN O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000003292682 564157107 /nfs/dbraw/zinc/15/71/07/564157107.db2.gz YOAWZACDSSBTPW-NRFANRHFSA-N 0 0 345.398 4.056 50 0 EIAARN CCCc1ccc(C(=O)[C@@H](C)Sc2nnc3ccccn32)cc1 ZINC000003361788 564157700 /nfs/dbraw/zinc/15/77/00/564157700.db2.gz NCDYKQFBVRWDPG-CYBMUJFWSA-N 0 0 325.437 4.045 50 0 EIAARN COc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000030840585 564157925 /nfs/dbraw/zinc/15/79/25/564157925.db2.gz CJVRIUAJBJOLPT-OXQOHEQNSA-N 0 0 339.435 4.135 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCCC1)c1ccccc1 ZINC000003458352 564158244 /nfs/dbraw/zinc/15/82/44/564158244.db2.gz GCWWWKITYCFRIF-OAHLLOKOSA-N 0 0 336.435 4.306 50 0 EIAARN O=C(NC1CCCC1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000030993881 564158322 /nfs/dbraw/zinc/15/83/22/564158322.db2.gz KWZLDWUMOQYQDX-HNNXBMFYSA-N 0 0 329.469 4.476 50 0 EIAARN CC(=O)c1ccc(O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000003504307 564158550 /nfs/dbraw/zinc/15/85/50/564158550.db2.gz KZZAAUFVWQGFNC-MRXNPFEDSA-N 0 0 325.408 4.220 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)C1(C)C ZINC000031073687 564158686 /nfs/dbraw/zinc/15/86/86/564158686.db2.gz NUCDAUJKXVEABC-SJORKVTESA-N 0 0 342.483 4.392 50 0 EIAARN CCc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 ZINC000003533563 564158801 /nfs/dbraw/zinc/15/88/01/564158801.db2.gz LXHZJSXHTAIFSP-UHFFFAOYSA-N 0 0 327.409 4.230 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)cc1)c1csc(-c2ccco2)n1 ZINC000031303524 564159298 /nfs/dbraw/zinc/15/92/98/564159298.db2.gz MKVLYZMPSZNXPQ-UHFFFAOYSA-N 0 0 339.420 4.256 50 0 EIAARN CC(C)OCc1ccccc1CNC(=O)c1ccc2ccccc2n1 ZINC000031340606 564159317 /nfs/dbraw/zinc/15/93/17/564159317.db2.gz FKVJRKPOPQUZKQ-UHFFFAOYSA-N 0 0 334.419 4.090 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000031561723 564159569 /nfs/dbraw/zinc/15/95/69/564159569.db2.gz PZZTWEPPXLVGGS-UHFFFAOYSA-N 0 0 329.762 4.050 50 0 EIAARN Fc1cccc(-c2nc(COc3cccc(-c4nnco4)c3)co2)c1 ZINC000031611237 564159575 /nfs/dbraw/zinc/15/95/75/564159575.db2.gz KHWJBHBROMQAJI-UHFFFAOYSA-N 0 0 337.310 4.110 50 0 EIAARN CC(=O)Nc1cccc(-n2c(SCCC(C)C)nnc2C2CC2)c1 ZINC000031620882 564159616 /nfs/dbraw/zinc/15/96/16/564159616.db2.gz MAZGHRPTCMPNOY-UHFFFAOYSA-N 0 0 344.484 4.241 50 0 EIAARN Cc1nc(CSc2nc3ccccc3n2-c2ccc(C)cc2)no1 ZINC000031628503 564159623 /nfs/dbraw/zinc/15/96/23/564159623.db2.gz BTTMTAXAKWVXFS-UHFFFAOYSA-N 0 0 336.420 4.318 50 0 EIAARN Cc1nnc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s1 ZINC000031807385 564159926 /nfs/dbraw/zinc/15/99/26/564159926.db2.gz SRCCMEIHRGNZMD-UHFFFAOYSA-N 0 0 348.431 4.102 50 0 EIAARN Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cccnc3)coc2c1C ZINC000031941940 564160241 /nfs/dbraw/zinc/16/02/41/564160241.db2.gz GNDQWEBMKLGFPU-LJQANCHMSA-N 0 0 334.419 4.351 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 ZINC000004081340 564160386 /nfs/dbraw/zinc/16/03/86/564160386.db2.gz OQHMNEGOKQMOFM-UJPCIWJBSA-N 0 0 332.484 4.242 50 0 biogenic EIAARN COC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004084057 564160438 /nfs/dbraw/zinc/16/04/38/564160438.db2.gz VBAOKHVYDOQJSK-GAFSTRRNSA-N 0 0 348.527 4.222 50 0 biogenic EIAARN COc1ccccc1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000032069982 564160588 /nfs/dbraw/zinc/16/05/88/564160588.db2.gz CVCFICBQCWFSQF-UHFFFAOYSA-N 0 0 326.783 4.392 50 0 EIAARN O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1ccco1 ZINC000032088643 564160646 /nfs/dbraw/zinc/16/06/46/564160646.db2.gz QYDHAORAJCVIKQ-UHFFFAOYSA-N 0 0 339.738 4.389 50 0 EIAARN CC(=O)c1cccc(NC(=O)Cn2ccc3c2cccc3Cl)c1 ZINC000032102297 564160812 /nfs/dbraw/zinc/16/08/12/564160812.db2.gz JUZYHAUOQHNCBP-UHFFFAOYSA-N 0 0 326.783 4.136 50 0 EIAARN Cc1ccc2c(CC(=O)Nc3ccnn3Cc3ccco3)coc2c1C ZINC000007987430 564161890 /nfs/dbraw/zinc/16/18/90/564161890.db2.gz STDGQLYIJVWQHZ-UHFFFAOYSA-N 0 0 349.390 4.069 50 0 EIAARN CSCc1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1 ZINC000007990668 564162001 /nfs/dbraw/zinc/16/20/01/564162001.db2.gz MDIYNZIRNFJNEW-UHFFFAOYSA-N 0 0 337.448 4.047 50 0 EIAARN O=C(CSc1ccc2c(c1)CCC2)Nc1cccc2ncccc21 ZINC000007990640 564162002 /nfs/dbraw/zinc/16/20/02/564162002.db2.gz IQSHOLORKXJNNF-UHFFFAOYSA-N 0 0 334.444 4.454 50 0 EIAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(C2CC2)s1 ZINC000007996151 564162068 /nfs/dbraw/zinc/16/20/68/564162068.db2.gz JIAAMHPRUXLDMI-UHFFFAOYSA-N 0 0 342.449 4.100 50 0 EIAARN O=C(CCc1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000008013558 564162130 /nfs/dbraw/zinc/16/21/30/564162130.db2.gz BKEYYMCWFPNVRE-UHFFFAOYSA-N 0 0 331.375 4.394 50 0 EIAARN CSc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000008024132 564162221 /nfs/dbraw/zinc/16/22/21/564162221.db2.gz UMQCVAQOGBZUEP-LBPRGKRZSA-N 0 0 333.840 4.252 50 0 EIAARN CCCCn1nc(C)c(C(=O)Nc2ccc(F)cc2F)c1Cl ZINC000008076493 564162599 /nfs/dbraw/zinc/16/25/99/564162599.db2.gz MHIGOJJMYMKVFV-UHFFFAOYSA-N 0 0 327.762 4.176 50 0 EIAARN C[C@H](NC(=O)COc1ccc(F)cc1Cl)c1cc2ccccc2o1 ZINC000008070180 564162502 /nfs/dbraw/zinc/16/25/02/564162502.db2.gz FRTMSCHHWFRYKM-NSHDSACASA-N 0 0 347.773 4.482 50 0 EIAARN O=C(c1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3o2)CC1 ZINC000008128071 564162942 /nfs/dbraw/zinc/16/29/42/564162942.db2.gz JCMUTHGOAZEYPR-UHFFFAOYSA-N 0 0 346.430 4.336 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000263533619 564162950 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O=C(Cc1c(Cl)cccc1Cl)OCCNc1cccc(F)c1 ZINC000952876322 1049678913 /nfs/dbraw/zinc/67/89/13/1049678913.db2.gz MJXPWSVKFNVQTD-UHFFFAOYSA-N 0 0 342.197 4.330 50 0 EIAARN C[C@H](O)c1nc2cc(NC(=O)C3CCC(C(C)(C)C)CC3)ccc2[nH]1 ZINC000952972214 1049684466 /nfs/dbraw/zinc/68/44/66/1049684466.db2.gz ZWJJCLAKCVZLDL-HSBZDZAISA-N 0 0 343.471 4.407 50 0 EIAARN C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2cccc3cccnc32)cc1 ZINC000952974847 1049686045 /nfs/dbraw/zinc/68/60/45/1049686045.db2.gz BSSOKHOFZXDCEL-CQSZACIVSA-N 0 0 345.402 4.002 50 0 EIAARN Cc1ccc2[nH]c([C@@H](NC(=O)NCc3cccs3)C(C)C)nc2c1 ZINC000952980533 1049686716 /nfs/dbraw/zinc/68/67/16/1049686716.db2.gz KDKACBGLLSLQQS-INIZCTEOSA-N 0 0 342.468 4.129 50 0 EIAARN COC[C@H](C)N(Cc1ccccc1C)C(=O)c1cccn1C(C)C ZINC000952967572 1049686951 /nfs/dbraw/zinc/68/69/51/1049686951.db2.gz BUEIZCCBGCHPFH-KRWDZBQOSA-N 0 0 328.456 4.055 50 0 EIAARN Cc1ccc(F)c(C(=O)Nc2ccc(N3C(=O)CC[C@H]3C)cc2)c1F ZINC000952978811 1049687203 /nfs/dbraw/zinc/68/72/03/1049687203.db2.gz SQVVIRQUNKLWQG-GFCCVEGCSA-N 0 0 344.361 4.041 50 0 EIAARN CC[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)Cc2ccc(C)o2)c1 ZINC000952978573 1049687326 /nfs/dbraw/zinc/68/73/26/1049687326.db2.gz QZKUAZXDWRNHDP-AWEZNQCLSA-N 0 0 342.439 4.235 50 0 EIAARN Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)C2(c3ccccc3)CC2)c1 ZINC000952989007 1049692832 /nfs/dbraw/zinc/69/28/32/1049692832.db2.gz BNBQIBMEWFVQNJ-NRFANRHFSA-N 0 0 349.474 4.234 50 0 EIAARN Cc1cccc(CN(C[C@H]2CCCO2)C(=O)C2(c3ccccc3)CC2)c1 ZINC000952989014 1049692986 /nfs/dbraw/zinc/69/29/86/1049692986.db2.gz BNBQIBMEWFVQNJ-OAQYLSRUSA-N 0 0 349.474 4.234 50 0 EIAARN Cc1nscc1C(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC000179700634 1049718171 /nfs/dbraw/zinc/71/81/71/1049718171.db2.gz AIHFUYZMZKMGLH-MRXNPFEDSA-N 0 0 342.464 4.109 50 0 EIAARN Cc1ccc(CCCC(=O)Nc2ncn(C3CCCCC3)n2)s1 ZINC000182667680 1050789509 /nfs/dbraw/zinc/78/95/09/1050789509.db2.gz FOJFTKQOVJJRQV-UHFFFAOYSA-N 0 0 332.473 4.115 50 0 EIAARN C[S@@](=O)Cc1ccc(Cl)c(NCc2ncc(C(C)(C)C)o2)c1 ZINC000085277734 1053145823 /nfs/dbraw/zinc/14/58/23/1053145823.db2.gz DABCPJYCBCRFSU-QFIPXVFZSA-N 0 0 340.876 4.116 50 0 EIAARN Cc1ccc(-c2nnc([C@H](C)Nc3cnn(CC4CC4)c3)o2)cc1C ZINC000186364091 1055399198 /nfs/dbraw/zinc/39/91/98/1055399198.db2.gz RRHBQERYXQQFJR-AWEZNQCLSA-N 0 0 337.427 4.133 50 0 EIAARN CCCn1c(C)cc(-c2csc(NC(=O)c3ccccn3)n2)c1C ZINC000010892063 1055779660 /nfs/dbraw/zinc/77/96/60/1055779660.db2.gz NTSCSDXIRZFZDI-UHFFFAOYSA-N 0 0 340.452 4.286 50 0 EIAARN Cc1nc(C2CCCC2)sc1C(=O)N1CCOc2ccc(F)cc21 ZINC000088266026 1056604271 /nfs/dbraw/zinc/60/42/71/1056604271.db2.gz MYMNKCSWMVEKGB-UHFFFAOYSA-N 0 0 346.427 4.287 50 0 EIAARN Cc1ccc(OCC[C@@H]2CCN(C(=O)c3cccc4[nH]ccc43)C2)cc1 ZINC000581788216 1059993184 /nfs/dbraw/zinc/99/31/84/1059993184.db2.gz CGPVNPKUILVTNU-KRWDZBQOSA-N 0 0 348.446 4.408 50 0 EIAARN Cc1ccc(OCC[C@H]2CCN(C(=O)C3(c4ccccc4)CC3)C2)cc1 ZINC000581789146 1060007445 /nfs/dbraw/zinc/00/74/45/1060007445.db2.gz JRBAMLRKBJTBHT-LJQANCHMSA-N 0 0 349.474 4.344 50 0 EIAARN Cc1cnc(-c2ccccc2)n1[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000581807769 1060019456 /nfs/dbraw/zinc/01/94/56/1060019456.db2.gz NABRFHKQHMVAHD-IBGZPJMESA-N 0 0 337.467 4.212 50 0 EIAARN COc1ccc2nc(NC(=O)CCSc3ccccc3)sc2c1 ZINC000004740516 210265945 /nfs/dbraw/zinc/26/59/45/210265945.db2.gz NKAYXNPJNHEGML-UHFFFAOYSA-N 0 0 344.461 4.426 50 0 EIAARN Oc1cccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)c1 ZINC000004734012 210264066 /nfs/dbraw/zinc/26/40/66/210264066.db2.gz HGUJHOJDOSGNPE-UHFFFAOYSA-N 0 0 336.782 4.499 50 0 EIAARN Fc1ccc([C@@H]2CCCN2Cc2csc(-c3ncccn3)n2)cc1 ZINC000051375982 214092018 /nfs/dbraw/zinc/09/20/18/214092018.db2.gz AZCBIPBUGWYUDY-INIZCTEOSA-N 0 0 340.427 4.076 50 0 EIAARN O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000051951654 214109235 /nfs/dbraw/zinc/10/92/35/214109235.db2.gz OTRULTXHXWDKOS-DLBZAZTESA-N 0 0 349.352 4.006 50 0 EIAARN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(C[C@H]4O)CC[C@H]12 ZINC000004731322 210263277 /nfs/dbraw/zinc/26/32/77/210263277.db2.gz LYFJGTIFFFMUCR-KBONVHAXSA-N 0 0 334.500 4.323 50 0 biogenic EIAARN CC[C@H](C)Sc1nnc(NC(=O)CSc2ccccc2)s1 ZINC000004731663 210263111 /nfs/dbraw/zinc/26/31/11/210263111.db2.gz ASOLDDZRFSLQEC-JTQLQIEISA-N 0 0 339.511 4.160 50 0 EIAARN C[C@H]1CCc2sc3[nH]c(SCc4ccccc4)nc(=O)c3c2C1 ZINC000004730791 210262471 /nfs/dbraw/zinc/26/24/71/210262471.db2.gz AQRQBFGZRXEKMX-NSHDSACASA-N 0 0 342.489 4.402 50 0 EIAARN Cc1[nH]c2ccccc2c1C1CCN(Cc2ncc(Cl)n2C)CC1 ZINC000052464095 214130058 /nfs/dbraw/zinc/13/00/58/214130058.db2.gz MSWHXGNHDFVVEG-UHFFFAOYSA-N 0 0 342.874 4.243 50 0 EIAARN CC(C)COc1ccccc1-c1ncccc1C(=O)N1CCCCC1 ZINC000097679768 219047072 /nfs/dbraw/zinc/04/70/72/219047072.db2.gz VJTRVHWIQUOQQG-UHFFFAOYSA-N 0 0 338.451 4.410 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000004715686 210258273 /nfs/dbraw/zinc/25/82/73/210258273.db2.gz NERZNHLAWIVQQE-UHFFFAOYSA-N 0 0 347.212 4.050 50 0 EIAARN Cc1ccccc1SCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004717680 210257482 /nfs/dbraw/zinc/25/74/82/210257482.db2.gz OQPFTDMETUPPQS-UHFFFAOYSA-N 0 0 344.524 4.355 50 0 EIAARN Cc1cc2ccccc2n1CC(=O)Nc1cccc(Br)c1 ZINC000004711080 210256443 /nfs/dbraw/zinc/25/64/43/210256443.db2.gz VNOUHQJQKIPUAN-UHFFFAOYSA-N 0 0 343.224 4.351 50 0 EIAARN CCOc1ccc2[nH]c(S[C@H](C)c3nc(C4CC4)no3)nc2c1 ZINC000053331567 214177955 /nfs/dbraw/zinc/17/79/55/214177955.db2.gz XKKGHUUDBGDSKM-SECBINFHSA-N 0 0 330.413 4.075 50 0 EIAARN Cc1cccn2cc(-c3ccc(NC(=O)CC[C@H]4CCCO4)cc3)nc12 ZINC000053837721 214201253 /nfs/dbraw/zinc/20/12/53/214201253.db2.gz KWWQMCLDWMXGJM-GOSISDBHSA-N 0 0 349.434 4.207 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000053985504 214208959 /nfs/dbraw/zinc/20/89/59/214208959.db2.gz HWLMSTYKDFSDFJ-LBPRGKRZSA-N 0 0 337.379 4.274 50 0 EIAARN Cc1noc(C)c1CN(C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000054174700 214222352 /nfs/dbraw/zinc/22/23/52/214222352.db2.gz ALLHALQZUJQEAC-UHFFFAOYSA-N 0 0 349.434 4.176 50 0 EIAARN COc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1Br ZINC000004698785 210251327 /nfs/dbraw/zinc/25/13/27/210251327.db2.gz KZGOXFJZNMNXSI-UHFFFAOYSA-N 0 0 349.159 4.314 50 0 EIAARN Cc1ccc(N[C@](C)(C(=O)NCc2ccncc2)c2ccccc2)cc1 ZINC000055212032 214290011 /nfs/dbraw/zinc/29/00/11/214290011.db2.gz CEJFHCQLYOLHLB-QFIPXVFZSA-N 0 0 345.446 4.034 50 0 EIAARN CC[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C2CCCC2)c1 ZINC000055385060 214315047 /nfs/dbraw/zinc/31/50/47/214315047.db2.gz HEJXKECMXYEEDX-GOSISDBHSA-N 0 0 328.456 4.220 50 0 EIAARN CCCCc1cc(=O)oc2c1ccc1c2CN(Cc2ccco2)CO1 ZINC000055393788 214318545 /nfs/dbraw/zinc/31/85/45/214318545.db2.gz NZCVHCUHSRWQOR-UHFFFAOYSA-N 0 0 339.391 4.081 50 0 biogenic EIAARN C[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1cccc2cccnc12 ZINC000055453579 214324533 /nfs/dbraw/zinc/32/45/33/214324533.db2.gz BJEZXSLXXLQENZ-WBTMPAOCSA-N 0 0 334.444 4.455 50 0 EIAARN O=c1nc(C[C@@H]2CCCO2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000055492053 214326220 /nfs/dbraw/zinc/32/62/20/214326220.db2.gz CTEJKLXZKOGPDB-JTQLQIEISA-N 0 0 346.839 4.027 50 0 EIAARN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000055524102 214327173 /nfs/dbraw/zinc/32/71/73/214327173.db2.gz XLIJHLNPMVEXQO-HNNXBMFYSA-N 0 0 339.826 4.064 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)o1 ZINC000055860389 214345132 /nfs/dbraw/zinc/34/51/32/214345132.db2.gz UXMNHUXSFPHONR-AWEZNQCLSA-N 0 0 334.213 4.328 50 0 EIAARN Fc1ccc([C@@H](NCc2nc(-c3ccco3)no2)c2ccccc2)cc1 ZINC000055855306 214345338 /nfs/dbraw/zinc/34/53/38/214345338.db2.gz YBAOXSQFAGEKBK-IBGZPJMESA-N 0 0 349.365 4.348 50 0 EIAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1 ZINC000004682333 210246693 /nfs/dbraw/zinc/24/66/93/210246693.db2.gz AXMAWJRXBAPDLT-UHFFFAOYSA-N 0 0 342.464 4.219 50 0 EIAARN C[C@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1ccccc1 ZINC000056187735 214364532 /nfs/dbraw/zinc/36/45/32/214364532.db2.gz AUGNKNYLLZGKMO-INIZCTEOSA-N 0 0 347.418 4.100 50 0 EIAARN Cc1nc(S[C@@H](C)c2ccc3ccccc3c2)sc1CC(N)=O ZINC000056282390 214368327 /nfs/dbraw/zinc/36/83/27/214368327.db2.gz NQVHLXSKOSRCJC-LBPRGKRZSA-N 0 0 342.489 4.486 50 0 EIAARN CN(C)C(=O)Cc1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000056325156 214370503 /nfs/dbraw/zinc/37/05/03/214370503.db2.gz UGSXXBMRURSHPR-UHFFFAOYSA-N 0 0 347.418 4.115 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cnccn1 ZINC000004672716 210243112 /nfs/dbraw/zinc/24/31/12/210243112.db2.gz IHKRGDLDLHABQL-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN CCCN1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1 ZINC000057327414 214418877 /nfs/dbraw/zinc/41/88/77/214418877.db2.gz BOQHKHDZPNEZAD-UHFFFAOYSA-N 0 0 349.430 4.254 50 0 EIAARN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)C1CCCCC1 ZINC000004670390 210242964 /nfs/dbraw/zinc/24/29/64/210242964.db2.gz JTJZHSIIXJFESX-UHFFFAOYSA-N 0 0 348.402 4.006 50 0 EIAARN CCCSc1cc(N2CCOCC2)nc(-c2ccccc2Cl)n1 ZINC000004671270 210242800 /nfs/dbraw/zinc/24/28/00/210242800.db2.gz QTSKTEIBOQXSOL-UHFFFAOYSA-N 0 0 349.887 4.136 50 0 EIAARN O=C(c1csc2c1CCCC2)N1CC=C(c2ccc(O)cc2)CC1 ZINC000057841060 214456259 /nfs/dbraw/zinc/45/62/59/214456259.db2.gz KSYMNQWVQXWVTQ-UHFFFAOYSA-N 0 0 339.460 4.262 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccc(F)cc2)C1 ZINC000058096492 214478323 /nfs/dbraw/zinc/47/83/23/214478323.db2.gz CPIGJJVUIMHDJX-UHFFFAOYSA-N 0 0 347.821 4.176 50 0 EIAARN C[C@H](O)c1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000058218240 214508001 /nfs/dbraw/zinc/50/80/01/214508001.db2.gz NBDQMYGULCORPB-NSHDSACASA-N 0 0 338.329 4.080 50 0 EIAARN Cc1[nH]nc2nc(C)cc(C(=O)N[C@H](CC(C)C)c3ccccc3)c12 ZINC000058218803 214509489 /nfs/dbraw/zinc/50/94/89/214509489.db2.gz QYAGQLOVIJWEEC-QGZVFWFLSA-N 0 0 336.439 4.092 50 0 EIAARN Cc1nnc([C@@H](C)Sc2nc3c(n2-c2ccccc2)CCCC3)o1 ZINC000058180409 214496058 /nfs/dbraw/zinc/49/60/58/214496058.db2.gz ZJJFITDBRDHMBX-GFCCVEGCSA-N 0 0 340.452 4.296 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000058265787 214521589 /nfs/dbraw/zinc/52/15/89/214521589.db2.gz WEPDCJRQKSPAPB-NSHDSACASA-N 0 0 331.803 4.181 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000004655871 210238620 /nfs/dbraw/zinc/23/86/20/210238620.db2.gz NBTJMKQYBNMGRV-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN O=C(c1cnc(-c2ccccc2)nc1)N1CCCCc2ccccc21 ZINC000058356192 214559300 /nfs/dbraw/zinc/55/93/00/214559300.db2.gz DNWPWFMJHQPQHW-UHFFFAOYSA-N 0 0 329.403 4.127 50 0 EIAARN COC(=O)c1sc(N(C)Cc2c(F)cccc2Cl)nc1Cl ZINC000058401901 214573639 /nfs/dbraw/zinc/57/36/39/214573639.db2.gz WTMWVOQXTBROFC-UHFFFAOYSA-N 0 0 349.214 4.012 50 0 EIAARN O=C(NCCSc1ccccc1)c1c2c(nc3ccccc31)CCC2 ZINC000058381649 214568396 /nfs/dbraw/zinc/56/83/96/214568396.db2.gz LNIBLHQWHZQDHJ-UHFFFAOYSA-N 0 0 348.471 4.246 50 0 EIAARN Cc1nnc2ccc(C(=O)N[C@@H](c3ccccc3)C3CCCCC3)cn12 ZINC000058427012 214584867 /nfs/dbraw/zinc/58/48/67/214584867.db2.gz DPJRICGDCPNWNV-FQEVSTJZSA-N 0 0 348.450 4.089 50 0 EIAARN COc1cccc(OC)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004614275 210232685 /nfs/dbraw/zinc/23/26/85/210232685.db2.gz SJUYBWGSELBEPH-BUBBNXEVSA-N 0 0 343.467 4.039 50 0 EIAARN COc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1OC(F)F ZINC000058598285 214597709 /nfs/dbraw/zinc/59/77/09/214597709.db2.gz MNWYKZBXCLKWTO-HNNXBMFYSA-N 0 0 347.361 4.056 50 0 EIAARN CCCn1c(=O)c2ccccc2nc1SCc1cccc(F)c1 ZINC000059094204 214614110 /nfs/dbraw/zinc/61/41/10/214614110.db2.gz GSXAJWOJZOAORF-UHFFFAOYSA-N 0 0 328.412 4.238 50 0 EIAARN COc1ccccc1C1=N/C(=C\c2cccc(Cl)c2Cl)C(=O)O1 ZINC000004589607 210227877 /nfs/dbraw/zinc/22/78/77/210227877.db2.gz PYYQBZLULQMSMQ-LCYFTJDESA-N 0 0 348.185 4.347 50 0 EIAARN CSc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)cc1 ZINC000004585609 210227529 /nfs/dbraw/zinc/22/75/29/210227529.db2.gz PQXSJJYVKAAEGR-KPKJPENVSA-N 0 0 337.404 4.110 50 0 EIAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1Cl ZINC000004570946 210223717 /nfs/dbraw/zinc/22/37/17/210223717.db2.gz BEENUWXBDDBUKN-UHFFFAOYSA-N 0 0 336.778 4.092 50 0 EIAARN COc1cn(-c2ccccc2)nc1C(=O)Oc1cccc2ccccc21 ZINC000060913136 214650041 /nfs/dbraw/zinc/65/00/41/214650041.db2.gz BOQLMCHTXCTFTQ-UHFFFAOYSA-N 0 0 344.370 4.253 50 0 EIAARN O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c3ccccc3oc21 ZINC000004558383 210220125 /nfs/dbraw/zinc/22/01/25/210220125.db2.gz MFOXSTRHEAEKMI-UHFFFAOYSA-N 0 0 330.265 4.355 50 0 EIAARN C/C(=C\c1ccccc1)[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000004543379 210219196 /nfs/dbraw/zinc/21/91/96/210219196.db2.gz IIGCSMMYJZAWAD-MDJRLISTSA-N 0 0 338.476 4.458 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1sccc1Br ZINC000004542010 210217989 /nfs/dbraw/zinc/21/79/89/210217989.db2.gz GANINLBHJUMUFI-UHFFFAOYSA-N 0 0 326.215 4.080 50 0 EIAARN O=C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)c1cccs1 ZINC000004539404 210216667 /nfs/dbraw/zinc/21/66/67/210216667.db2.gz OHIAKALTHMQGJS-UHFFFAOYSA-N 0 0 345.807 4.274 50 0 EIAARN COc1cccc2c1ccn2CCC(=O)Nc1ccc2cc[nH]c2c1 ZINC000062001415 214691595 /nfs/dbraw/zinc/69/15/95/214691595.db2.gz YNCGTWYUWUWWQA-UHFFFAOYSA-N 0 0 333.391 4.160 50 0 biogenic EIAARN C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 ZINC000004488766 210202338 /nfs/dbraw/zinc/20/23/38/210202338.db2.gz HZUOOGXVGUDHJW-AAOUONPWSA-N 0 0 329.421 4.030 50 0 EIAARN c1coc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)N=C3N=CNN32)c1 ZINC000100435510 219098951 /nfs/dbraw/zinc/09/89/51/219098951.db2.gz MSMZLFRGZQEXER-IBGZPJMESA-N 0 0 340.386 4.247 50 0 EIAARN Cc1cc2c(ncnc2SCC(=O)Nc2ccc(C)c(C)c2)s1 ZINC000004488372 210201891 /nfs/dbraw/zinc/20/18/91/210201891.db2.gz LUOGQCOJFBXWEO-UHFFFAOYSA-N 0 0 343.477 4.347 50 0 EIAARN Cc1cc2c(ncnc2SCC(=O)Nc2ccc(C)cc2C)s1 ZINC000004488371 210201390 /nfs/dbraw/zinc/20/13/90/210201390.db2.gz GPDIIDMBJNWPDR-UHFFFAOYSA-N 0 0 343.477 4.347 50 0 EIAARN O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000100573910 219102114 /nfs/dbraw/zinc/10/21/14/219102114.db2.gz CQYGCUSVMDHCTG-LBPRGKRZSA-N 0 0 334.202 4.116 50 0 EIAARN Cc1ccc(C2=N/C(=C\c3ccc(Br)s3)C(=O)O2)cc1 ZINC000004471792 210194783 /nfs/dbraw/zinc/19/47/83/210194783.db2.gz ZKBIVNSOOWTYRB-WQLSENKSSA-N 0 0 348.221 4.164 50 0 EIAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(F)c1 ZINC000064438935 214785723 /nfs/dbraw/zinc/78/57/23/214785723.db2.gz UGGNXOWLFJLLPY-UHFFFAOYSA-N 0 0 339.370 4.037 50 0 EIAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000064472064 214788171 /nfs/dbraw/zinc/78/81/71/214788171.db2.gz TVCGHMRSZONLKL-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C(F)(F)F ZINC000004426667 210190239 /nfs/dbraw/zinc/19/02/39/210190239.db2.gz HYZFTJPWHHPKTI-UHFFFAOYSA-N 0 0 330.375 4.112 50 0 EIAARN Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C ZINC000004410585 210189944 /nfs/dbraw/zinc/18/99/44/210189944.db2.gz ZZLLARIGQJCNGD-UHFFFAOYSA-N 0 0 347.827 4.012 50 0 EIAARN Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000100843348 219108547 /nfs/dbraw/zinc/10/85/47/219108547.db2.gz JHXWWGTUMZEVRJ-UZYVYHOESA-N 0 0 342.439 4.418 50 0 EIAARN Cc1cc(C)cc(-n2ccn3cc(-c4ccc(Cl)cc4)nc3c2=O)c1 ZINC000064670305 214799752 /nfs/dbraw/zinc/79/97/52/214799752.db2.gz QVLGULXGFGFAHG-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN Clc1ccc(C2=CSc3nnc(Cc4ccccc4)n3N2)cc1 ZINC000100929650 219112193 /nfs/dbraw/zinc/11/21/93/219112193.db2.gz OMKOTQTTYUIQPK-UHFFFAOYSA-N 0 0 340.839 4.170 50 0 EIAARN Cc1ccc(-c2noc3c2ncnc3NCCc2ccccc2)cc1 ZINC000064658388 214798292 /nfs/dbraw/zinc/79/82/92/214798292.db2.gz GIBRDFWFLFOWNC-UHFFFAOYSA-N 0 0 330.391 4.248 50 0 EIAARN CCCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 ZINC000064787803 214803728 /nfs/dbraw/zinc/80/37/28/214803728.db2.gz USMUTYDVXMFOID-UHFFFAOYSA-N 0 0 325.412 4.092 50 0 EIAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(F)cc1 ZINC000004375401 210183968 /nfs/dbraw/zinc/18/39/68/210183968.db2.gz FVSSMGMAIRBRIK-UHFFFAOYSA-N 0 0 344.386 4.061 50 0 EIAARN O=C(CCC1CCCCC1)Nc1cccc(-c2ccc3nncn3n2)c1 ZINC000004377107 210183261 /nfs/dbraw/zinc/18/32/61/210183261.db2.gz YTWIQWYRIAEAGP-UHFFFAOYSA-N 0 0 349.438 4.090 50 0 EIAARN O=C(Nc1nnc(-c2ccsc2)o1)c1cc(Cl)ccc1Cl ZINC000049029105 213978323 /nfs/dbraw/zinc/97/83/23/213978323.db2.gz PCKBURBXEKEBLE-UHFFFAOYSA-N 0 0 340.191 4.357 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)nnn2C(C)C ZINC000064818442 214806297 /nfs/dbraw/zinc/80/62/97/214806297.db2.gz ZXJSKCWIJWXCKX-UHFFFAOYSA-N 0 0 328.803 4.226 50 0 EIAARN CCc1ccccc1NC(=O)c1cc2c(c3ccccc3oc2=O)n1C ZINC000064838959 214808776 /nfs/dbraw/zinc/80/87/76/214808776.db2.gz KAKSDSKBGZBVRL-UHFFFAOYSA-N 0 0 346.386 4.099 50 0 EIAARN Clc1ccc(C2=Nc3ncnn3[C@@H](c3ccco3)C2)c(Cl)c1 ZINC000101129592 219117399 /nfs/dbraw/zinc/11/73/99/219117399.db2.gz VESASEZZFAZCGU-CYBMUJFWSA-N 0 0 333.178 4.234 50 0 EIAARN O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1 ZINC000004356429 210179195 /nfs/dbraw/zinc/17/91/95/210179195.db2.gz KVIUWUKCDXKEIK-UHFFFAOYSA-N 0 0 342.370 4.397 50 0 EIAARN CCCCCCNC(=O)c1cnn2c1nccc2-c1cccc(C)c1 ZINC000004356371 210178732 /nfs/dbraw/zinc/17/87/32/210178732.db2.gz PIRCSELPTOOFBD-UHFFFAOYSA-N 0 0 336.439 4.015 50 0 EIAARN Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cc1 ZINC000064983867 214820348 /nfs/dbraw/zinc/82/03/48/214820348.db2.gz BJZVTVQZVHSPSI-LJQANCHMSA-N 0 0 347.455 4.440 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2C(F)(F)F)on1 ZINC000064984824 214820466 /nfs/dbraw/zinc/82/04/66/214820466.db2.gz VZGHVSVNAJYEHH-ZDUSSCGKSA-N 0 0 339.317 4.371 50 0 EIAARN O=P(Nc1ccccn1)(Nc1ccccn1)Oc1ccccc1 ZINC000004342558 210176101 /nfs/dbraw/zinc/17/61/01/210176101.db2.gz RALIMGIGWJNRRW-UHFFFAOYSA-N 0 0 326.296 4.188 50 0 EIAARN CCOc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000004340074 210175270 /nfs/dbraw/zinc/17/52/70/210175270.db2.gz QXFMQWWLMMJPRX-UHFFFAOYSA-N 0 0 340.375 4.184 50 0 biogenic EIAARN COC(=O)c1cc(Nc2ccc(F)c(F)c2)c2cccc(F)c2n1 ZINC000065033703 214823837 /nfs/dbraw/zinc/82/38/37/214823837.db2.gz NDJLJRSGRRKGTR-UHFFFAOYSA-N 0 0 332.281 4.182 50 0 EIAARN C[C@]12COc3ccc4ccccc4c3[C@H]1c1sc(=O)[nH]c1SC2 ZINC000004337626 210174296 /nfs/dbraw/zinc/17/42/96/210174296.db2.gz MVCHNDAEFUUZBT-KBXCAEBGSA-N 0 0 341.457 4.226 50 0 EIAARN CCn1cc(CCNC(=O)Nc2cccc(C)c2C)c2cccnc21 ZINC000065156270 214834537 /nfs/dbraw/zinc/83/45/37/214834537.db2.gz CRLHZCOBAVPNRD-UHFFFAOYSA-N 0 0 336.439 4.037 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000004330343 210173223 /nfs/dbraw/zinc/17/32/23/210173223.db2.gz BTVKLAHNZMAYPU-UHFFFAOYSA-N 0 0 343.408 4.229 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1C ZINC000065137272 214831437 /nfs/dbraw/zinc/83/14/37/214831437.db2.gz OESZVOPLKSQYSG-UHFFFAOYSA-N 0 0 330.391 4.421 50 0 EIAARN Cc1cccc(CSc2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000004326773 210171443 /nfs/dbraw/zinc/17/14/43/210171443.db2.gz QLVOALARBUEHRN-UHFFFAOYSA-N 0 0 338.461 4.454 50 0 EIAARN Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1 ZINC000065168985 214836704 /nfs/dbraw/zinc/83/67/04/214836704.db2.gz IFIZAPVIRKWUOO-UHFFFAOYSA-N 0 0 344.418 4.042 50 0 EIAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)Nc1ccccc1 ZINC000004304990 210165147 /nfs/dbraw/zinc/16/51/47/210165147.db2.gz GLOBQXKBQDGTDU-IBGZPJMESA-N 0 0 347.418 4.205 50 0 EIAARN CCOC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000004281445 210161430 /nfs/dbraw/zinc/16/14/30/210161430.db2.gz OXIRUOTUZBKLHX-UHFFFAOYSA-N 0 0 329.421 4.056 50 0 EIAARN COc1cc(CNC(=O)c2ccsc2)ccc1OC1CCCC1 ZINC000048281583 213910936 /nfs/dbraw/zinc/91/09/36/213910936.db2.gz LTAIDGBYTXJRDJ-UHFFFAOYSA-N 0 0 331.437 4.008 50 0 EIAARN CSc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000065331542 214871849 /nfs/dbraw/zinc/87/18/49/214871849.db2.gz MZDXKGKMZDIXDA-KRWDZBQOSA-N 0 0 349.459 4.377 50 0 EIAARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1ccccc1 ZINC000004264972 210155854 /nfs/dbraw/zinc/15/58/54/210155854.db2.gz RBUBMNHFJJGQQD-UHFFFAOYSA-N 0 0 339.464 4.423 50 0 EIAARN C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)c1c[nH]c2ccccc21 ZINC000004242448 210149410 /nfs/dbraw/zinc/14/94/10/210149410.db2.gz GBGHPBLFPPWVIY-SECBINFHSA-N 0 0 333.796 4.311 50 0 EIAARN Cc1ccc(NC2(C(=O)N(C)CCC[C@@H]3CCCO3)CCCC2)cc1 ZINC000065406367 214896686 /nfs/dbraw/zinc/89/66/86/214896686.db2.gz SSUWGHUCBPEIQY-LJQANCHMSA-N 0 0 344.499 4.137 50 0 EIAARN C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1[C@H]1CCN(C)C1=O ZINC000065409408 214899377 /nfs/dbraw/zinc/89/93/77/214899377.db2.gz KQAXZPSHKNITIY-DUVHGLKDSA-N 0 0 347.418 4.107 50 0 EIAARN Cc1noc(-c2ccccc2)c1NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000126359739 222688380 /nfs/dbraw/zinc/68/83/80/222688380.db2.gz MJRZOWXPJTUXID-KRWDZBQOSA-N 0 0 348.406 4.414 50 0 EIAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccn2)c1 ZINC000004178226 210139656 /nfs/dbraw/zinc/13/96/56/210139656.db2.gz YBGRPIVTZVJOEF-APWZRJJASA-N 0 0 333.416 4.385 50 0 EIAARN CCc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)cc1 ZINC000004169840 210138138 /nfs/dbraw/zinc/13/81/38/210138138.db2.gz UDHMATQOPNXPLJ-UHFFFAOYSA-N 0 0 338.794 4.349 50 0 EIAARN CCOC(=O)c1c(C)n(Cc2ccc(F)cc2)c2ccc(O)cc21 ZINC000004164694 210136883 /nfs/dbraw/zinc/13/68/83/210136883.db2.gz BKVJCRGPXFXVBN-UHFFFAOYSA-N 0 0 327.355 4.019 50 0 EIAARN CCCCN(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163013 210135521 /nfs/dbraw/zinc/13/55/21/210135521.db2.gz GREZPSNEKXGPMM-UHFFFAOYSA-N 0 0 334.419 4.180 50 0 EIAARN O=C(Nc1cnc2ccccc2c1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000047572498 213856304 /nfs/dbraw/zinc/85/63/04/213856304.db2.gz KIGDWCLLKWRVJH-UHFFFAOYSA-N 0 0 346.415 4.335 50 0 EIAARN COc1cc(OC)c(OC)cc1/C=C/c1ccc2cccc(O)c2n1 ZINC000004140897 210130748 /nfs/dbraw/zinc/13/07/48/210130748.db2.gz CQOXCIQHNWFXPO-CSKARUKUSA-N 0 0 337.375 4.137 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(F)c1 ZINC000047157807 213833572 /nfs/dbraw/zinc/83/35/72/213833572.db2.gz MKPIOUWYRWSYIZ-UHFFFAOYSA-N 0 0 343.333 4.137 50 0 EIAARN Cc1nn(-c2ccccc2)cc1CCCNc1nc2ccccc2o1 ZINC000065575898 214966546 /nfs/dbraw/zinc/96/65/46/214966546.db2.gz FBWCUGCQMFFASD-UHFFFAOYSA-N 0 0 332.407 4.367 50 0 EIAARN Cc1cccc(CSC2=NCCN2C(=O)c2cc(C)cc(C)c2)c1 ZINC000004120180 210125436 /nfs/dbraw/zinc/12/54/36/210125436.db2.gz KUSKJJBOXPFGIR-UHFFFAOYSA-N 0 0 338.476 4.357 50 0 EIAARN CC(C)(C)[C@H]1CCc2c(sc3[nH]c(-c4ccccn4)nc(=O)c23)C1 ZINC000004095180 210119734 /nfs/dbraw/zinc/11/97/34/210119734.db2.gz HTHSBHISHCZYDD-NSHDSACASA-N 0 0 339.464 4.198 50 0 EIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5n[nH]cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004097376 210119448 /nfs/dbraw/zinc/11/94/48/210119448.db2.gz LKAJKIOFIWVMDJ-IYRCEVNGSA-N 0 0 328.500 4.118 50 0 endogenous,world EIAARN COc1cccc2sc(NC(=O)c3ccc4ncsc4c3)nc21 ZINC000004088318 210117756 /nfs/dbraw/zinc/11/77/56/210117756.db2.gz JMMUJKZJBWFFRG-UHFFFAOYSA-N 0 0 341.417 4.167 50 0 EIAARN CC(C)Sc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000004086617 210116591 /nfs/dbraw/zinc/11/65/91/210116591.db2.gz ZTJPRAAGPPTAKF-UHFFFAOYSA-N 0 0 347.387 4.310 50 0 EIAARN Cc1cccc(-c2nnc(NC(=O)c3ccccc3Cl)s2)c1 ZINC000004072087 210113230 /nfs/dbraw/zinc/11/32/30/210113230.db2.gz WQYFGZYYKCBWEG-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000004070354 210111947 /nfs/dbraw/zinc/11/19/47/210111947.db2.gz CZQBSCPMADPVSM-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1c(C(=O)C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)c2ccccc2n1C ZINC000004062506 210110363 /nfs/dbraw/zinc/11/03/63/210110363.db2.gz RVCJYDXUZIEUKO-DZGCQCFKSA-N 0 0 340.467 4.000 50 0 EIAARN Cc1c(C(=O)C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)c2ccccc2n1C ZINC000004062509 210110169 /nfs/dbraw/zinc/11/01/69/210110169.db2.gz RVCJYDXUZIEUKO-HIFRSBDPSA-N 0 0 340.467 4.000 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2ncsc2c1 ZINC000004059536 210109967 /nfs/dbraw/zinc/10/99/67/210109967.db2.gz TVQRTEFWYPIBHG-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2ncsc2c1 ZINC000004059542 210109735 /nfs/dbraw/zinc/10/97/35/210109735.db2.gz PRUFBRAWRXTDIR-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN O=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000004057939 210109461 /nfs/dbraw/zinc/10/94/61/210109461.db2.gz XBEBONAQLXUAGH-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 EIAARN CCCCc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000046077859 213778921 /nfs/dbraw/zinc/77/89/21/213778921.db2.gz OMDDBICRVXGGSY-UHFFFAOYSA-N 0 0 325.408 4.443 50 0 EIAARN Cc1c(-c2cccc(NC(=O)c3ccc(F)cc3)c2)nc2ncccn12 ZINC000004033196 210104527 /nfs/dbraw/zinc/10/45/27/210104527.db2.gz LPFHSVLRCBLYOQ-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1cccc(C(F)(F)F)c1 ZINC000004033331 210104136 /nfs/dbraw/zinc/10/41/36/210104136.db2.gz QOGJWUSMSNNDBM-NSHDSACASA-N 0 0 345.324 4.102 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004018893 210101890 /nfs/dbraw/zinc/10/18/90/210101890.db2.gz GHOXRAGOADNXRY-UHFFFAOYSA-N 0 0 336.435 4.349 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000004028178 210103154 /nfs/dbraw/zinc/10/31/54/210103154.db2.gz DYBNZLJIMZQRMD-AWEZNQCLSA-N 0 0 348.398 4.240 50 0 biogenic EIAARN O=C1O/C(=C\c2ncc(C(F)(F)F)cc2Cl)c2ccccc21 ZINC000004039763 210105566 /nfs/dbraw/zinc/10/55/66/210105566.db2.gz CQQQXFSFMSVDNI-MLPAPPSSSA-N 0 0 325.673 4.422 50 0 EIAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(F)c1 ZINC000004033083 210104831 /nfs/dbraw/zinc/10/48/31/210104831.db2.gz XMJBJIQASVUDTN-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN CCc1ccc(Nc2c3c(nc4nc(-c5ccco5)nn42)CCC3)cc1 ZINC000046022711 213774406 /nfs/dbraw/zinc/77/44/06/213774406.db2.gz GWVKQRSZCNQUEL-UHFFFAOYSA-N 0 0 345.406 4.179 50 0 EIAARN Cc1c(-c2cccc(NC(=O)Nc3ccccc3)c2)nc2ncccn12 ZINC000004033225 210104711 /nfs/dbraw/zinc/10/47/11/210104711.db2.gz FZTPVENXDHHRRR-UHFFFAOYSA-N 0 0 343.390 4.349 50 0 EIAARN Cc1noc2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 ZINC000004025684 210100983 /nfs/dbraw/zinc/10/09/83/210100983.db2.gz CWEKHXSSQMBRHH-LDJCDLSFSA-N 0 0 327.468 4.320 50 0 biogenic EIAARN COc1cccc(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000045949886 213767962 /nfs/dbraw/zinc/76/79/62/213767962.db2.gz ZZROSBBIRVPMJN-LLVKDONJSA-N 0 0 336.338 4.179 50 0 EIAARN CCc1ccccc1N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 ZINC000004000105 210098763 /nfs/dbraw/zinc/09/87/63/210098763.db2.gz PHNPOMMCBHHQPN-UHFFFAOYSA-N 0 0 347.414 4.201 50 0 biogenic EIAARN CCOC(=O)c1nc2ccccc2nc1Nc1cccc(Cl)c1 ZINC000045901051 213765004 /nfs/dbraw/zinc/76/50/04/213765004.db2.gz JBQZBJBAXUXKLK-UHFFFAOYSA-N 0 0 327.771 4.204 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908233 210091721 /nfs/dbraw/zinc/09/17/21/210091721.db2.gz POPHPNMSEAJWTM-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccc(F)cc2)on1 ZINC000003907638 210091746 /nfs/dbraw/zinc/09/17/46/210091746.db2.gz WLOGLXXXIRBPSC-UHFFFAOYSA-N 0 0 332.718 4.092 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccc(O)c2)on1 ZINC000003908312 210091691 /nfs/dbraw/zinc/09/16/91/210091691.db2.gz BAZFFANZAJOHNN-UHFFFAOYSA-N 0 0 332.718 4.092 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000003907702 210091401 /nfs/dbraw/zinc/09/14/01/210091401.db2.gz BEXGGKKRZWZHPI-UHFFFAOYSA-N 0 0 340.766 4.450 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccc2O)on1 ZINC000003908574 210091251 /nfs/dbraw/zinc/09/12/51/210091251.db2.gz UHAAUQHVJRNMDC-UHFFFAOYSA-N 0 0 332.718 4.092 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccccc1 ZINC000003908250 210091315 /nfs/dbraw/zinc/09/13/15/210091315.db2.gz AXKCYUDBYGWJIR-LBPRGKRZSA-N 0 0 326.783 4.486 50 0 EIAARN COc1ccccc1[C@H]1CC(c2ccc(C(C)C)cc2)=Nc2ncnn21 ZINC000102048093 219182887 /nfs/dbraw/zinc/18/28/87/219182887.db2.gz JQINNKKENWCCSP-LJQANCHMSA-N 0 0 346.434 4.466 50 0 EIAARN CCCC[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000003906188 210090365 /nfs/dbraw/zinc/09/03/65/210090365.db2.gz YOMRIEHCCXJHIA-QGZVFWFLSA-N 0 0 325.387 4.363 50 0 EIAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccccc1F ZINC000003906479 210090437 /nfs/dbraw/zinc/09/04/37/210090437.db2.gz MRDBYTPEZKNLNT-UHFFFAOYSA-N 0 0 331.350 4.393 50 0 EIAARN O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1cccc(O)c1 ZINC000003901967 210088824 /nfs/dbraw/zinc/08/88/24/210088824.db2.gz KHVQNQXHJFHAKJ-BUHFOSPRSA-N 0 0 340.382 4.262 50 0 EIAARN Cc1csc(CCCNC(=O)CCCc2c[nH]c3ccccc23)n1 ZINC000102304651 219193779 /nfs/dbraw/zinc/19/37/79/219193779.db2.gz KCJMUJOKYKHIOO-UHFFFAOYSA-N 0 0 341.480 4.005 50 0 EIAARN Cc1cccc(OCCCCn2c(CCCO)nc3ccccc32)c1 ZINC000003648955 210070651 /nfs/dbraw/zinc/07/06/51/210070651.db2.gz SXBZYOMCZZVYAL-UHFFFAOYSA-N 0 0 338.451 4.129 50 0 EIAARN CCOC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1Cl ZINC000003623265 210068367 /nfs/dbraw/zinc/06/83/67/210068367.db2.gz UMPIHWXZSMBGPZ-QGZVFWFLSA-N 0 0 345.826 4.073 50 0 EIAARN COc1ccc(NC(=O)CSc2ccc(C)cc2C)c(OC)c1 ZINC000003606748 210065191 /nfs/dbraw/zinc/06/51/91/210065191.db2.gz OUZXZXPATVBEPI-UHFFFAOYSA-N 0 0 331.437 4.051 50 0 EIAARN COc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000003608448 210065253 /nfs/dbraw/zinc/06/52/53/210065253.db2.gz YUJIDSCRIZVHIT-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN COc1ccc(OCCCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000003606542 210065027 /nfs/dbraw/zinc/06/50/27/210065027.db2.gz HXWXRNRZWNIEOV-FQEVSTJZSA-N 0 0 339.435 4.048 50 0 EIAARN COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc(OC)c1 ZINC000003601611 210063086 /nfs/dbraw/zinc/06/30/86/210063086.db2.gz HQSWYFDUQNSROH-UHFFFAOYSA-N 0 0 343.423 4.019 50 0 EIAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(Cl)cc1 ZINC000003590817 210060823 /nfs/dbraw/zinc/06/08/23/210060823.db2.gz OLWIBKRAWVQUFR-UHFFFAOYSA-N 0 0 331.799 4.006 50 0 EIAARN CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000003590914 210060562 /nfs/dbraw/zinc/06/05/62/210060562.db2.gz ZDQBLLDVDRUHHP-UHFFFAOYSA-N 0 0 339.464 4.473 50 0 EIAARN O=S(=O)(Nc1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000003581251 210059439 /nfs/dbraw/zinc/05/94/39/210059439.db2.gz HKMFIKJYBDZXNF-UHFFFAOYSA-N 0 0 336.627 4.448 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nncn1-c1ccccc1 ZINC000003543869 210050179 /nfs/dbraw/zinc/05/01/79/210050179.db2.gz IBWFAPBWUMSTCP-UHFFFAOYSA-N 0 0 348.431 4.032 50 0 EIAARN O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1COc2ccccc2O1 ZINC000003559609 210054991 /nfs/dbraw/zinc/05/49/91/210054991.db2.gz WYYZQMGCFNBMAG-FQEVSTJZSA-N 0 0 331.371 4.132 50 0 EIAARN O=C1CCC[C@H]1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003561087 210054673 /nfs/dbraw/zinc/05/46/73/210054673.db2.gz XZCFGYQYIMMMOB-QGZVFWFLSA-N 0 0 347.443 4.419 50 0 EIAARN O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1COc2ccccc2O1 ZINC000003559607 210054488 /nfs/dbraw/zinc/05/44/88/210054488.db2.gz WYYZQMGCFNBMAG-HXUWFJFHSA-N 0 0 331.371 4.132 50 0 EIAARN CCSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1 ZINC000003466583 210047919 /nfs/dbraw/zinc/04/79/19/210047919.db2.gz VXDMPRZXQLNQCL-UHFFFAOYSA-N 0 0 330.478 4.235 50 0 EIAARN CCOc1ncccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003456641 210045313 /nfs/dbraw/zinc/04/53/13/210045313.db2.gz AMSXMDICUDSRNB-UHFFFAOYSA-N 0 0 344.720 4.405 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)OCc3cc(C)ccc3C)cc2)n1 ZINC000003441033 210040641 /nfs/dbraw/zinc/04/06/41/210040641.db2.gz QQCBEAFTIZINAJ-UHFFFAOYSA-N 0 0 334.419 4.463 50 0 EIAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1ccc(Cl)cc1 ZINC000003442608 210039713 /nfs/dbraw/zinc/03/97/13/210039713.db2.gz PNLOBINYWVDYSD-UHFFFAOYSA-N 0 0 337.828 4.334 50 0 EIAARN CCOc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cc1 ZINC000003427661 210035852 /nfs/dbraw/zinc/03/58/52/210035852.db2.gz SDKNFWINOUYVGT-UHFFFAOYSA-N 0 0 337.828 4.402 50 0 EIAARN CC(=O)Nc1ccccc1O[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000003418541 210034807 /nfs/dbraw/zinc/03/48/07/210034807.db2.gz XMSOBCKEVNYAFR-CQSZACIVSA-N 0 0 348.402 4.204 50 0 EIAARN CCSc1nc2n(n1)[C@@H](c1cccs1)C1C(=O)CCCC1=N2 ZINC000102675332 219221013 /nfs/dbraw/zinc/22/10/13/219221013.db2.gz YJJDXIBXJWLBNU-ZDUSSCGKSA-N 0 0 332.454 4.123 50 0 EIAARN COc1ccccc1CCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000003430464 210036964 /nfs/dbraw/zinc/03/69/64/210036964.db2.gz WHYWJTVRWVZNSU-UHFFFAOYSA-N 0 0 330.384 4.015 50 0 EIAARN CCSc1nc2n(n1)[C@@H](c1ccccc1C)C1C(=O)CCCC1=N2 ZINC000102678652 219221686 /nfs/dbraw/zinc/22/16/86/219221686.db2.gz POEWSOPRMBFHNW-INIZCTEOSA-N 0 0 340.452 4.370 50 0 EIAARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OC(F)F ZINC000003406251 210029983 /nfs/dbraw/zinc/02/99/83/210029983.db2.gz JPVGWKOKWQIMHA-LCYFTJDESA-N 0 0 349.720 4.286 50 0 EIAARN COc1ccc(C)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000003398477 210027852 /nfs/dbraw/zinc/02/78/52/210027852.db2.gz JOHBRKNKBISPMB-UHFFFAOYSA-N 0 0 326.440 4.352 50 0 EIAARN O=C(/C=C/c1ccccc1)OCC(=O)Nc1cccc2ccccc21 ZINC000003390892 210024825 /nfs/dbraw/zinc/02/48/25/210024825.db2.gz ORZKOMAMQNUBSL-BUHFOSPRSA-N 0 0 331.371 4.035 50 0 EIAARN Cn1cnnc1S[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000003395192 210026824 /nfs/dbraw/zinc/02/68/24/210026824.db2.gz LJSMZHQSYQXWGN-SFHVURJKSA-N 0 0 348.431 4.013 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000003387737 210025679 /nfs/dbraw/zinc/02/56/79/210025679.db2.gz LBNWTVRQAGDILW-HNNXBMFYSA-N 0 0 349.789 4.289 50 0 EIAARN COc1ccccc1-n1cnnc1SCc1cccc(Cl)c1 ZINC000003391569 210025435 /nfs/dbraw/zinc/02/54/35/210025435.db2.gz SRFFPJQZXGMHEE-UHFFFAOYSA-N 0 0 331.828 4.222 50 0 EIAARN CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000003376574 210020751 /nfs/dbraw/zinc/02/07/51/210020751.db2.gz HDSOYSZFZWYHLO-GFCCVEGCSA-N 0 0 331.799 4.086 50 0 EIAARN O=C1C[C@H](c2ccco2)CC2=Nc3nonc3N[C@H](c3ccccc3)C12 ZINC000102744007 219227316 /nfs/dbraw/zinc/22/73/16/219227316.db2.gz AHOFYAJZRCKICY-SJKOYZFVSA-N 0 0 348.362 4.292 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)c1cccc(Oc2ccccc2)c1 ZINC000003366032 210018874 /nfs/dbraw/zinc/01/88/74/210018874.db2.gz AZYYKSDYFABRFW-UHFFFAOYSA-N 0 0 333.343 4.460 50 0 EIAARN Cc1ccc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)s1 ZINC000003349033 210014695 /nfs/dbraw/zinc/01/46/95/210014695.db2.gz AFFKZZSDBLWCBK-JYRVWZFOSA-N 0 0 337.322 4.420 50 0 EIAARN CC(=O)Oc1ccccc1C(=O)Oc1cc(C)ccc1C(C)(C)C ZINC000003348994 210015305 /nfs/dbraw/zinc/01/53/05/210015305.db2.gz OFWVKYIQHDKNFV-UHFFFAOYSA-N 0 0 326.392 4.437 50 0 EIAARN OC1CCC(Nc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000003340903 210013081 /nfs/dbraw/zinc/01/30/81/210013081.db2.gz QSAKSDWYKYRIEG-UHFFFAOYSA-N 0 0 325.437 4.074 50 0 EIAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CC1CCCC1 ZINC000003324346 210006746 /nfs/dbraw/zinc/00/67/46/210006746.db2.gz OLMSTSXFCXNRTB-UHFFFAOYSA-N 0 0 336.863 4.016 50 0 EIAARN O=C(O[C@@H]1CCCCC1=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003303601 210001811 /nfs/dbraw/zinc/00/18/11/210001811.db2.gz AZCFOEVCTWGDII-LJQANCHMSA-N 0 0 335.359 4.163 50 0 EIAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000003322995 210006413 /nfs/dbraw/zinc/00/64/13/210006413.db2.gz JYJWICKUHNEEHT-UHFFFAOYSA-N 0 0 331.481 4.113 50 0 EIAARN Cc1noc(C)c1COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 ZINC000003319148 210005631 /nfs/dbraw/zinc/00/56/31/210005631.db2.gz BNVVGJVAVREBMW-UHFFFAOYSA-N 0 0 349.386 4.188 50 0 EIAARN c1coc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2)c1 ZINC000003318718 210005681 /nfs/dbraw/zinc/00/56/81/210005681.db2.gz FOHGYONWAFKEKV-OAHLLOKOSA-N 0 0 341.436 4.189 50 0 EIAARN COC(=O)c1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000003296805 209999764 /nfs/dbraw/zinc/99/97/64/209999764.db2.gz VOIWWRCWHCMTTC-UHFFFAOYSA-N 0 0 328.437 4.406 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1CC(=O)Nc1cccc(C)c1C ZINC000102918017 219241737 /nfs/dbraw/zinc/24/17/37/219241737.db2.gz OPLAYVZGQCKLKO-UHFFFAOYSA-N 0 0 347.462 4.346 50 0 EIAARN COc1cc(C)c(NC(=O)N(C)[C@@H](C)c2ccccc2)cc1OC ZINC000043403886 213579639 /nfs/dbraw/zinc/57/96/39/213579639.db2.gz UFJDTBFNXPRJEC-AWEZNQCLSA-N 0 0 328.412 4.237 50 0 EIAARN O=C(/C=C/c1cc2cc(Cl)ccc2o1)NCCc1ccccc1 ZINC000067339224 215134723 /nfs/dbraw/zinc/13/47/23/215134723.db2.gz LANKDUOADLPGMK-VQHVLOKHSA-N 0 0 325.795 4.458 50 0 EIAARN COC(=O)c1ccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)cc1 ZINC000067339780 215134761 /nfs/dbraw/zinc/13/47/61/215134761.db2.gz HEDIMJCKSPTDCL-MDZDMXLPSA-N 0 0 335.359 4.180 50 0 EIAARN COc1cccc2cc(C(=O)Nc3ccc(C)c(Cl)c3)c(=N)oc21 ZINC000067341966 215134784 /nfs/dbraw/zinc/13/47/84/215134784.db2.gz FDAJSTOBHLLCTE-UHFFFAOYSA-N 0 0 342.782 4.135 50 0 EIAARN CCCCc1ccc(NC(=O)COC(=O)c2cccc(C)c2C)cc1 ZINC000003275052 209995163 /nfs/dbraw/zinc/99/51/63/209995163.db2.gz TWALTZQJGFHTSS-UHFFFAOYSA-N 0 0 339.435 4.442 50 0 EIAARN O=C(OCc1c(Cl)nc2sccn21)c1ccc(F)cc1Cl ZINC000003250197 209989368 /nfs/dbraw/zinc/98/93/68/209989368.db2.gz KSKLAGJKOFIAET-UHFFFAOYSA-N 0 0 345.182 4.199 50 0 EIAARN CC(=O)c1c(C)nc(C)nc1SCc1ncc(-c2cccs2)o1 ZINC000067429225 215143738 /nfs/dbraw/zinc/14/37/38/215143738.db2.gz HCKCXGZCFPYEGK-UHFFFAOYSA-N 0 0 345.449 4.305 50 0 EIAARN Cc1ccsc1CNC(=O)Nc1ccccc1Br ZINC000043132644 213563654 /nfs/dbraw/zinc/56/36/54/213563654.db2.gz JKMHRUJXWFENBP-UHFFFAOYSA-N 0 0 325.231 4.141 50 0 EIAARN COc1ccc(C(=O)Cc2ccccc2OC(=O)c2ccccc2)cc1 ZINC000003190055 209974964 /nfs/dbraw/zinc/97/49/64/209974964.db2.gz PVMFMOATXRYDNJ-UHFFFAOYSA-N 0 0 346.382 4.340 50 0 EIAARN CCc1cccc(NC(=S)N(CCOC)[C@H](C)c2ccco2)c1 ZINC000003050492 209957860 /nfs/dbraw/zinc/95/78/60/209957860.db2.gz AOKAWQZXCFGIEJ-CQSZACIVSA-N 0 0 332.469 4.248 50 0 EIAARN CC(C)[C@@H](C)N(C(=O)c1cnn2c1nccc2-c1ccccc1)C1CC1 ZINC000067687017 215184116 /nfs/dbraw/zinc/18/41/16/215184116.db2.gz YDVBGAMAECFHIE-OAHLLOKOSA-N 0 0 348.450 4.045 50 0 EIAARN Cc1nc(C)c(Cn2cnc(-c3ccccc3)c2-c2nc[nH]c2C)s1 ZINC000067696975 215188673 /nfs/dbraw/zinc/18/86/73/215188673.db2.gz GICCLHHQXUJANG-UHFFFAOYSA-N 0 0 349.463 4.370 50 0 EIAARN CCC[C@@H](C)c1c(-c2ccccc2)ncn1Cc1cc(COC)[nH]n1 ZINC000067713872 215192978 /nfs/dbraw/zinc/19/29/78/215192978.db2.gz OTDZHNAMFVWGNR-OAHLLOKOSA-N 0 0 338.455 4.372 50 0 EIAARN CCOc1cccc(OCCOc2ccccc2Br)c1 ZINC000002984901 209949095 /nfs/dbraw/zinc/94/90/95/209949095.db2.gz OJUIDVHKCLHJBL-UHFFFAOYSA-N 0 0 337.213 4.306 50 0 EIAARN CCOc1ccccc1NC(=O)CCCc1ccc(OC)c(C)c1 ZINC000002902251 209938882 /nfs/dbraw/zinc/93/88/82/209938882.db2.gz NQZIAISHXSTRGL-UHFFFAOYSA-N 0 0 327.424 4.364 50 0 EIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000002882178 209936327 /nfs/dbraw/zinc/93/63/27/209936327.db2.gz IUVLHWSMMLIKSW-UHFFFAOYSA-N 0 0 330.236 4.209 50 0 EIAARN COc1ccccc1NC(=O)Cn1c2ccccc2c2c1CCCC2 ZINC000002887306 209937605 /nfs/dbraw/zinc/93/76/05/209937605.db2.gz YXTTWXAOEIFNNJ-UHFFFAOYSA-N 0 0 334.419 4.167 50 0 EIAARN CCC[C@@H](C)c1nnc(NC(=O)CSCc2ccccc2)s1 ZINC000002865499 209930961 /nfs/dbraw/zinc/93/09/61/209930961.db2.gz AXMFJXNGMVQLEE-GFCCVEGCSA-N 0 0 335.498 4.314 50 0 EIAARN CN(Cc1ccc([C@H]2CCCO2)s1)Cc1nc2ccccc2n1C ZINC000067920575 215249895 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Cc1cc(-c2ccc(C)cc2)n(CC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000032999147 212886924 /nfs/dbraw/zinc/88/69/24/212886924.db2.gz OLUFVSUTWNBWPH-UHFFFAOYSA-N 0 0 333.435 4.422 50 0 EIAARN O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(F)cc1 ZINC000032914311 212870981 /nfs/dbraw/zinc/87/09/81/212870981.db2.gz DURINQKQMIVWGD-UHFFFAOYSA-N 0 0 326.396 4.054 50 0 EIAARN O=C(NOCc1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000032914375 212870765 /nfs/dbraw/zinc/87/07/65/212870765.db2.gz UMTPTVCBCNEDOJ-UHFFFAOYSA-N 0 0 346.180 4.057 50 0 EIAARN Cc1nc2sc(-c3nc4ccccc4n3C(F)F)c(N)c2c(C)n1 ZINC000032934887 212878615 /nfs/dbraw/zinc/87/86/15/212878615.db2.gz NIDSUBRHXJQYQC-UHFFFAOYSA-N 0 0 345.378 4.302 50 0 EIAARN CCc1ccc(CNC(=O)c2cc(F)ccc2Br)s1 ZINC000032930301 212875692 /nfs/dbraw/zinc/87/56/92/212875692.db2.gz KWSZFDOAQDMILN-UHFFFAOYSA-N 0 0 342.233 4.142 50 0 EIAARN Cc1noc(C)c1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000071894100 215932866 /nfs/dbraw/zinc/93/28/66/215932866.db2.gz RMJZIJPGSPGOSP-MNOVXSKESA-N 0 0 325.195 4.340 50 0 EIAARN CC(C)c1cccc(NC(=O)COc2cccc3c2CCC[C@H]3O)c1 ZINC000032858060 212857414 /nfs/dbraw/zinc/85/74/14/212857414.db2.gz LLNDTPQKMKOIRW-LJQANCHMSA-N 0 0 339.435 4.197 50 0 EIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1C ZINC000032863047 212858242 /nfs/dbraw/zinc/85/82/42/212858242.db2.gz VJQZPTABELPTFB-HZPDHXFCSA-N 0 0 326.440 4.433 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000032909983 212868525 /nfs/dbraw/zinc/86/85/25/212868525.db2.gz SLUHTEHPQCISHQ-UHFFFAOYSA-N 0 0 331.456 4.329 50 0 EIAARN O=C(CC[C@H]1CCCO1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000071888327 215925521 /nfs/dbraw/zinc/92/55/21/215925521.db2.gz WEWKFYZOBUMLEA-APWZRJJASA-N 0 0 326.440 4.181 50 0 EIAARN CC[C@@H](C(=O)Nc1cccc(NC(=O)NC2CC2)c1)c1ccccc1 ZINC000032906535 212866892 /nfs/dbraw/zinc/86/68/92/212866892.db2.gz QUYUXQJBGRMJAK-GOSISDBHSA-N 0 0 337.423 4.103 50 0 EIAARN CO[C@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)c1ccccc1 ZINC000032833861 212853933 /nfs/dbraw/zinc/85/39/33/212853933.db2.gz 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O=C([O-])c1ccccc1[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000072174019 216065144 /nfs/dbraw/zinc/06/51/44/216065144.db2.gz VQDIJHGCIWJBFC-ZDUSSCGKSA-N 0 0 333.790 4.167 50 0 EIAARN CC(C)(C)OC(=O)N1CCC(c2[nH]nc3ccc(Cl)cc32)CC1 ZINC000072194188 216068433 /nfs/dbraw/zinc/06/84/33/216068433.db2.gz DFBFBODVZGLTNT-UHFFFAOYSA-N 0 0 335.835 4.331 50 0 EIAARN CC[C@H](C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1)c1ccccc1 ZINC000072232243 216073019 /nfs/dbraw/zinc/07/30/19/216073019.db2.gz IYASMZHQYJQLQN-IRXDYDNUSA-N 0 0 341.455 4.093 50 0 EIAARN CN(Cc1cccs1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000031347681 212731141 /nfs/dbraw/zinc/73/11/41/212731141.db2.gz HDTMXAVYPGCYMB-UHFFFAOYSA-N 0 0 330.453 4.005 50 0 EIAARN COc1ccc(-c2csc(CNC(=O)C3CCCCC3)n2)cc1 ZINC000072264923 216086314 /nfs/dbraw/zinc/08/63/14/216086314.db2.gz OGJLIWPVXDGLTB-UHFFFAOYSA-N 0 0 330.453 4.015 50 0 EIAARN COc1cc(F)c(NC(=O)[C@@]2(C)CCCc3ccccc32)cc1OC ZINC000072270520 216093848 /nfs/dbraw/zinc/09/38/48/216093848.db2.gz 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ZINC000000280605 209515526 /nfs/dbraw/zinc/51/55/26/209515526.db2.gz UOKIMODGXYGJMC-UHFFFAOYSA-N 0 0 325.767 4.117 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccncc1 ZINC000072295359 216132663 /nfs/dbraw/zinc/13/26/63/216132663.db2.gz CRBFRUASNBNMDY-LJQANCHMSA-N 0 0 333.391 4.150 50 0 EIAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000000270079 209512169 /nfs/dbraw/zinc/51/21/69/209512169.db2.gz IMRXUDBZTAXAGF-HOTGVXAUSA-N 0 0 335.513 4.401 50 0 EIAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000000267535 209512071 /nfs/dbraw/zinc/51/20/71/209512071.db2.gz ATPSAYKXQMRVSH-MRXNPFEDSA-N 0 0 347.414 4.243 50 0 EIAARN CCc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)c1 ZINC000000248239 209503763 /nfs/dbraw/zinc/50/37/63/209503763.db2.gz BGIJKXNPYKVRMD-IBGZPJMESA-N 0 0 344.499 4.299 50 0 EIAARN Cc1nc(C(=O)NCCc2c[nH]c3ccccc23)c(C(C)C)s1 ZINC000072325839 216152262 /nfs/dbraw/zinc/15/22/62/216152262.db2.gz CHCSUHJWMFDLFG-UHFFFAOYSA-N 0 0 327.453 4.029 50 0 biogenic EIAARN COc1cc(C(=O)NCc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000072329559 216154275 /nfs/dbraw/zinc/15/42/75/216154275.db2.gz GRJDYJQIIFGFLZ-UHFFFAOYSA-N 0 0 334.419 4.297 50 0 EIAARN O=C(NCc1ccc(Br)cc1)c1cc(F)ccc1Cl ZINC000072331791 216155347 /nfs/dbraw/zinc/15/53/47/216155347.db2.gz CYUUJAAHSPTXJZ-UHFFFAOYSA-N 0 0 342.595 4.172 50 0 EIAARN COc1cccc([C@@H]2C[C@H](c3ccc(C)c(C)c3)n3ncnc3N2)c1 ZINC000072332443 216155890 /nfs/dbraw/zinc/15/58/90/216155890.db2.gz NLKVUNQWEWGQCC-RBUKOAKNSA-N 0 0 334.423 4.050 50 0 EIAARN CC(C)c1noc(COC(=O)c2ccc(-c3ccc(F)cc3)s2)n1 ZINC000029142302 212653737 /nfs/dbraw/zinc/65/37/37/212653737.db2.gz ZDJJBZKNKGSFJT-UHFFFAOYSA-N 0 0 346.383 4.418 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)o1 ZINC000000204897 209483298 /nfs/dbraw/zinc/48/32/98/209483298.db2.gz XDJGRFVVVPCXCN-UHFFFAOYSA-N 0 0 332.359 4.326 50 0 EIAARN O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccccc1 ZINC000000193153 209475300 /nfs/dbraw/zinc/47/53/00/209475300.db2.gz KPWSJNXHIGYYPB-UHFFFAOYSA-N 0 0 325.433 4.067 50 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DOCNXRXZAZEHPZ-UHFFFAOYSA-N 0 0 343.430 4.305 50 0 EIAARN Cc1ccccc1[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2CCCN12 ZINC000075403043 216615326 /nfs/dbraw/zinc/61/53/26/216615326.db2.gz ZSYFZEKGOURNFG-ZWKOTPCHSA-N 0 0 326.827 4.158 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000022066298 212275811 /nfs/dbraw/zinc/27/58/11/212275811.db2.gz BTPANUAUHSEPCL-UHFFFAOYSA-N 0 0 339.464 4.360 50 0 EIAARN Cc1ccccc1NC(=O)NCc1ccc([C@H](O)c2ccco2)s1 ZINC000206688564 241048536 /nfs/dbraw/zinc/04/85/36/241048536.db2.gz MTHUHKKWBNDDSD-QGZVFWFLSA-N 0 0 342.420 4.053 50 0 EIAARN O=C(/C=C/c1cccs1)NCc1cncc(-c2ccsc2)c1 ZINC000206942806 241057485 /nfs/dbraw/zinc/05/74/85/241057485.db2.gz JVBYUHIEILBFCE-ONEGZZNKSA-N 0 0 326.446 4.201 50 0 EIAARN O=C(c1ccncc1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206994109 241059733 /nfs/dbraw/zinc/05/97/33/241059733.db2.gz JTBKNJFLLIKTEF-MRXNPFEDSA-N 0 0 332.856 4.055 50 0 EIAARN O=C(Nc1cccs1)N(CCc1cccs1)C1CCOCC1 ZINC000207963148 241064151 /nfs/dbraw/zinc/06/41/51/241064151.db2.gz UWOLSSZTDUPSPC-UHFFFAOYSA-N 0 0 336.482 4.065 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)NCC1(c2ccsc2)CCCC1 ZINC000217481418 241252250 /nfs/dbraw/zinc/25/22/50/241252250.db2.gz IZNNWTIEJUCPBQ-OAHLLOKOSA-N 0 0 329.465 4.144 50 0 EIAARN Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccc(F)cc3)sc2c1 ZINC000022024298 212271485 /nfs/dbraw/zinc/27/14/85/212271485.db2.gz GZQCUAGQJRIVNS-NSHDSACASA-N 0 0 330.384 4.150 50 0 EIAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)NCC2 ZINC000022018356 212271653 /nfs/dbraw/zinc/27/16/53/212271653.db2.gz WDYIKIZWXGOOHA-KRWDZBQOSA-N 0 0 338.234 4.246 50 0 EIAARN CCC(C)(C)NC(=O)CCc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000075478979 216623380 /nfs/dbraw/zinc/62/33/80/216623380.db2.gz OJYMMLRRRUAZIZ-UHFFFAOYSA-N 0 0 335.451 4.467 50 0 EIAARN Cc1nc2cc(-c3noc(CCc4c[nH]c5ccccc45)n3)ccc2o1 ZINC000075488029 216623683 /nfs/dbraw/zinc/62/36/83/216623683.db2.gz BDLWUMBCEOWQHJ-UHFFFAOYSA-N 0 0 344.374 4.453 50 0 EIAARN O=C(/C=C/c1ccccc1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219482978 241390645 /nfs/dbraw/zinc/39/06/45/241390645.db2.gz CTDASZZRFBLQKQ-KBOKABMXSA-N 0 0 329.490 4.468 50 0 EIAARN CC[C@@H](Sc1nc2ncccc2o1)C(=O)N(CC)c1ccccc1 ZINC000021920104 212262513 /nfs/dbraw/zinc/26/25/13/212262513.db2.gz SZUMDYBGTPGCKB-OAHLLOKOSA-N 0 0 341.436 4.147 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000021798565 212252339 /nfs/dbraw/zinc/25/23/39/212252339.db2.gz GAYMKGHNJNFONN-VIFPVBQESA-N 0 0 336.844 4.182 50 0 EIAARN O=C(Nc1nc2c(s1)CCCCC2)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000021902292 212262239 /nfs/dbraw/zinc/26/22/39/212262239.db2.gz LAOFNADDKNAGND-CQSZACIVSA-N 0 0 348.855 4.008 50 0 EIAARN Cc1c(C)n(CC(C)C)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000021801467 212251882 /nfs/dbraw/zinc/25/18/82/212251882.db2.gz SGOAVULPCJYFCF-UHFFFAOYSA-N 0 0 333.439 4.327 50 0 EIAARN Cc1cc(NCCc2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000021798982 212251973 /nfs/dbraw/zinc/25/19/73/212251973.db2.gz QMXICIBVJNDUSX-UHFFFAOYSA-N 0 0 346.409 4.498 50 0 EIAARN C[C@H]1CC(=O)N(Cc2ccc(Br)cc2)c2ccccc2N1 ZINC000021793373 212249989 /nfs/dbraw/zinc/24/99/89/212249989.db2.gz HNGGXBRVFPRDAH-LBPRGKRZSA-N 0 0 345.240 4.186 50 0 EIAARN Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3ccccc3n2)o1 ZINC000021729608 212246435 /nfs/dbraw/zinc/24/64/35/212246435.db2.gz TYIUSLQRFCIEFP-AWEZNQCLSA-N 0 0 337.375 4.139 50 0 EIAARN Cc1cc([C@H]2CCCCN2C(=O)Cc2c(C)[nH]c3ccccc32)no1 ZINC000222345265 241510434 /nfs/dbraw/zinc/51/04/34/241510434.db2.gz KOJFYGTTWPKNHT-LJQANCHMSA-N 0 0 337.423 4.069 50 0 EIAARN C[C@@H](O)c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000225687422 241987109 /nfs/dbraw/zinc/98/71/09/241987109.db2.gz AUHPNBXAYJAUSZ-SECBINFHSA-N 0 0 344.263 4.081 50 0 EIAARN COC1(CNC(=O)Nc2ccc(Cl)c(Cl)c2)CCSCC1 ZINC000225594626 241942568 /nfs/dbraw/zinc/94/25/68/241942568.db2.gz ZVDXSGKXYXGOLB-UHFFFAOYSA-N 0 0 349.283 4.027 50 0 EIAARN O=C(NCc1cccnc1-c1ccsc1)c1cc2ccccc2o1 ZINC000225644519 241967816 /nfs/dbraw/zinc/96/78/16/241967816.db2.gz WFNALGLBKRBYEE-UHFFFAOYSA-N 0 0 334.400 4.486 50 0 EIAARN C[C@H](NCc1ncnn1C(C)(C)C)c1cc(F)c(Cl)cc1Cl ZINC000225734710 242009693 /nfs/dbraw/zinc/00/96/93/242009693.db2.gz UBAIOXZUGJPSKL-VIFPVBQESA-N 0 0 345.249 4.330 50 0 EIAARN O=C(NCc1ccc(-c2ccco2)nc1)c1cccc(C(F)(F)F)c1 ZINC000225751338 242019249 /nfs/dbraw/zinc/01/92/49/242019249.db2.gz DFSNUDFNCOQUSJ-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN O=C(Cn1ccc(=O)c2sccc21)c1cccc(Cl)c1Cl ZINC000225777385 242030801 /nfs/dbraw/zinc/03/08/01/242030801.db2.gz BIEWAIAWRJWUQQ-UHFFFAOYSA-N 0 0 338.215 4.253 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NC[C@H](C)c3ccccc3C)no2)cc1 ZINC000227155323 242123717 /nfs/dbraw/zinc/12/37/17/242123717.db2.gz GSQISNAQSNWFQP-INIZCTEOSA-N 0 0 334.419 4.492 50 0 EIAARN Cc1ccc(OCc2ccc(-n3cccn3)cc2)c2c1[C@@H](C)CC2=O ZINC000021657259 212237889 /nfs/dbraw/zinc/23/78/89/212237889.db2.gz SKGQDKYVBALWNA-HNNXBMFYSA-N 0 0 332.403 4.450 50 0 EIAARN COc1ccc(OC)c(CN2CCC[C@@H]2c2cc(C(C)C)on2)c1 ZINC000021720556 212243841 /nfs/dbraw/zinc/24/38/41/212243841.db2.gz SFZYLKGQTRJKCD-QGZVFWFLSA-N 0 0 330.428 4.152 50 0 EIAARN COc1cccc(-c2noc3ncnc(Nc4cccc(C)c4)c23)c1 ZINC000021714939 212241750 /nfs/dbraw/zinc/24/17/50/212241750.db2.gz PWROTJKVYYYKJF-UHFFFAOYSA-N 0 0 332.363 4.345 50 0 EIAARN CCCc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)s1 ZINC000021635031 212235668 /nfs/dbraw/zinc/23/56/68/212235668.db2.gz WPUTXNSCHJNZCH-UHFFFAOYSA-N 0 0 331.372 4.142 50 0 EIAARN CSc1ccc(CCNc2nc(-c3ccccc3F)no2)cc1 ZINC000021630248 212235247 /nfs/dbraw/zinc/23/52/47/212235247.db2.gz KNKOAOVFNVHLGX-UHFFFAOYSA-N 0 0 329.400 4.252 50 0 EIAARN C[C@H]1CN(Cc2cc(-c3cccs3)on2)C[C@@H](c2ccccc2)O1 ZINC000229775810 242198693 /nfs/dbraw/zinc/19/86/93/242198693.db2.gz LEVAYHYETPBUAI-KSSFIOAISA-N 0 0 340.448 4.365 50 0 EIAARN Cc1sc2c(c1C)CSC(C(=O)Nc1ccc3c(c1)OCO3)=C2 ZINC000021529701 212229391 /nfs/dbraw/zinc/22/93/91/212229391.db2.gz IYKCDSVUGFWFKS-UHFFFAOYSA-N 0 0 345.445 4.320 50 0 EIAARN O=C(Cc1csc(-c2ccccc2)n1)NCC1(c2ccccc2)CC1 ZINC000021523621 212229079 /nfs/dbraw/zinc/22/90/79/212229079.db2.gz XCZRWVKCBIQZBZ-UHFFFAOYSA-N 0 0 348.471 4.201 50 0 EIAARN CCOc1ccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)cc1 ZINC000021524375 212229029 /nfs/dbraw/zinc/22/90/29/212229029.db2.gz AHLIIXOQVVECJW-UHFFFAOYSA-N 0 0 336.391 4.229 50 0 EIAARN Cc1ccc(NC(=O)[C@H](Nc2cccc(CO)c2)c2ccccc2)cc1 ZINC000021473295 212226662 /nfs/dbraw/zinc/22/66/62/212226662.db2.gz CTNVIWBWJQKJMN-OAQYLSRUSA-N 0 0 346.430 4.279 50 0 EIAARN CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccco2)c2ccccc21 ZINC000076023063 216686770 /nfs/dbraw/zinc/68/67/70/216686770.db2.gz KMIZFUHHWHOJCU-UHFFFAOYSA-N 0 0 342.395 4.072 50 0 EIAARN O=C(c1ccccc1C(F)(F)F)N1CCC(c2ccncc2)CC1 ZINC000021115029 212208756 /nfs/dbraw/zinc/20/87/56/212208756.db2.gz CJXUACNKSKAEJA-UHFFFAOYSA-N 0 0 334.341 4.120 50 0 EIAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccccc2F)cc1 ZINC000021106333 212206996 /nfs/dbraw/zinc/20/69/96/212206996.db2.gz VHFHIIREPXAUFY-IBGZPJMESA-N 0 0 349.365 4.000 50 0 EIAARN Cc1c(C)n(C)c2ccc(C(=O)NCc3ccccc3Cl)cc12 ZINC000021163956 212212195 /nfs/dbraw/zinc/21/21/95/212212195.db2.gz QXUOEYRRORNRBV-UHFFFAOYSA-N 0 0 326.827 4.379 50 0 EIAARN COc1ccc2cc(NC(=O)N[C@H]3CCCc4ccccc43)n(C)c2c1 ZINC000021148821 212210740 /nfs/dbraw/zinc/21/07/40/212210740.db2.gz RPXPGHJFDAEFFL-SFHVURJKSA-N 0 0 349.434 4.386 50 0 EIAARN COc1cccc(CNC(=O)C[C@H](c2ccccc2C)n2cccc2)c1 ZINC000020998719 212197867 /nfs/dbraw/zinc/19/78/67/212197867.db2.gz RTMWGRAKNXJWQK-OAQYLSRUSA-N 0 0 348.446 4.101 50 0 biogenic EIAARN COc1cccc([C@H](CC(=O)Nc2cccc(C)c2)n2cccc2)c1 ZINC000020998536 212197885 /nfs/dbraw/zinc/19/78/85/212197885.db2.gz JIWJISZGHBJRQB-FQEVSTJZSA-N 0 0 334.419 4.423 50 0 EIAARN COc1cccc(CNC(=O)C[C@@H](c2ccccc2C)n2cccc2)c1 ZINC000020998717 212197749 /nfs/dbraw/zinc/19/77/49/212197749.db2.gz RTMWGRAKNXJWQK-NRFANRHFSA-N 0 0 348.446 4.101 50 0 biogenic EIAARN COc1ccc(NC(=O)C[C@H](c2cccs2)n2cccc2)cc1 ZINC000020996988 212196638 /nfs/dbraw/zinc/19/66/38/212196638.db2.gz ZGHBDNVEYCBTHD-MRXNPFEDSA-N 0 0 326.421 4.176 50 0 EIAARN Fc1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000020947963 212192879 /nfs/dbraw/zinc/19/28/79/212192879.db2.gz DMJHDKHGWYBGEL-CQSZACIVSA-N 0 0 329.400 4.274 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000020924379 212188691 /nfs/dbraw/zinc/18/86/91/212188691.db2.gz UKKOACGBHPZJRK-LLVKDONJSA-N 0 0 337.826 4.131 50 0 EIAARN CC(=O)NCCCCCc1nc2ccccc2n1[C@H](C)c1ccccc1 ZINC000020868246 212180929 /nfs/dbraw/zinc/18/09/29/212180929.db2.gz MLQHJELMOAIZDA-QGZVFWFLSA-N 0 0 349.478 4.495 50 0 EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCC2)o1 ZINC000020902952 212186465 /nfs/dbraw/zinc/18/64/65/212186465.db2.gz VIUSUTREYGRGJD-UHFFFAOYSA-N 0 0 335.407 4.113 50 0 EIAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(C)ccc1OC ZINC000020900271 212184303 /nfs/dbraw/zinc/18/43/03/212184303.db2.gz ZFJZGKFFPLWVJD-MRXNPFEDSA-N 0 0 327.428 4.112 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1F ZINC000020898228 212183817 /nfs/dbraw/zinc/18/38/17/212183817.db2.gz WBMAMOOJDKFTNA-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccccc3)sc2C1 ZINC000020897379 212183634 /nfs/dbraw/zinc/18/36/34/212183634.db2.gz ADLMHLFXMDYKIA-CYBMUJFWSA-N 0 0 344.480 4.312 50 0 EIAARN CCOC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000020895243 212183434 /nfs/dbraw/zinc/18/34/34/212183434.db2.gz OQHDGEHDAQHGQI-UHFFFAOYSA-N 0 0 348.786 4.169 50 0 EIAARN COc1ccc(-c2noc(-c3cccnc3NCc3ccco3)n2)cc1 ZINC000020898175 212183189 /nfs/dbraw/zinc/18/31/89/212183189.db2.gz CVXSLULVBIUOPS-UHFFFAOYSA-N 0 0 348.362 4.012 50 0 EIAARN O=c1nc([C@@H]2CCC(F)(F)C2)[nH]c2sc3c(c21)CCCS3 ZINC000241897257 243006457 /nfs/dbraw/zinc/00/64/57/243006457.db2.gz TXCDIDRUBKAGLL-SSDOTTSWSA-N 0 0 328.409 4.338 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1 ZINC000020865441 212178096 /nfs/dbraw/zinc/17/80/96/212178096.db2.gz GKLWPBLJXGAINA-CYBMUJFWSA-N 0 0 331.485 4.061 50 0 EIAARN O=C(NC1CCCCC1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000020864331 212178202 /nfs/dbraw/zinc/17/82/02/212178202.db2.gz JVGFWCJLOMOSQL-UHFFFAOYSA-N 0 0 343.496 4.349 50 0 EIAARN O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(Nc3ccccc3)ncc21 ZINC000020795846 212172176 /nfs/dbraw/zinc/17/21/76/212172176.db2.gz YAXYYGBYHHAGPD-AWEZNQCLSA-N 0 0 333.366 4.272 50 0 EIAARN CCCn1nc(C)c2c1nc(-c1ccc3c(c1)OCO3)cc2C(F)F ZINC000020615796 212156304 /nfs/dbraw/zinc/15/63/04/212156304.db2.gz CLRNYMOYVJEXHN-UHFFFAOYSA-N 0 0 345.349 4.483 50 0 EIAARN COc1cccc(Cn2ccc(-c3cccc(-c4ncccn4)c3)n2)c1 ZINC000020560919 212147594 /nfs/dbraw/zinc/14/75/94/212147594.db2.gz CFJZUTFZDJHWSC-UHFFFAOYSA-N 0 0 342.402 4.064 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN(C[C@H](C)c2ccccc2)CO1 ZINC000020572579 212147760 /nfs/dbraw/zinc/14/77/60/212147760.db2.gz HWZPVZSNPVNCHS-HNNXBMFYSA-N 0 0 335.403 4.057 50 0 EIAARN CCc1c(C(=O)Nc2cc(Cl)ccc2C)cnn1-c1ccccn1 ZINC000252491910 243797887 /nfs/dbraw/zinc/79/78/87/243797887.db2.gz LZELOFVPVJUNNJ-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN Cc1cc(Cl)c(NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000253431006 243983405 /nfs/dbraw/zinc/98/34/05/243983405.db2.gz YZLBLADPKSLOEG-NWDGAFQWSA-N 0 0 343.254 4.192 50 0 EIAARN CCO[C@H](C)c1nc(COc2cccc(NC(=O)C(C)C)c2)cs1 ZINC000076697892 216806102 /nfs/dbraw/zinc/80/61/02/216806102.db2.gz SIOWNJHICAJMOQ-CYBMUJFWSA-N 0 0 348.468 4.414 50 0 EIAARN C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O ZINC000253505318 244007202 /nfs/dbraw/zinc/00/72/02/244007202.db2.gz USGKSIJYOHEDEV-NIMBFUQJSA-N 0 0 330.468 4.261 50 0 biogenic,in-vitro EIAARN C[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]3CC4(CC[C@]3(C)[C@@H]1C(=O)C2)OCCO4 ZINC000253592456 244029061 /nfs/dbraw/zinc/02/90/61/244029061.db2.gz ZQDFDIIVEXMNKF-LFMXGZDGSA-N 0 0 332.484 4.341 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]34C)OCCO5)[C@H]1CCC2=O ZINC000253596342 244032290 /nfs/dbraw/zinc/03/22/90/244032290.db2.gz QGISYVREUUQQKE-NDOCZDNFSA-N 0 0 332.484 4.341 50 0 EIAARN COc1cccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c1 ZINC000020437308 212129229 /nfs/dbraw/zinc/12/92/29/212129229.db2.gz NFDJGQQGKIHCLJ-HXUWFJFHSA-N 0 0 345.402 4.170 50 0 EIAARN COc1cccc(C(=O)c2cc3cc(Br)ccc3o2)c1 ZINC000020362306 212122186 /nfs/dbraw/zinc/12/21/86/212122186.db2.gz YJOVDTABHLKMSE-UHFFFAOYSA-N 0 0 331.165 4.435 50 0 EIAARN O=C1NC(=S)SC1=Cc1c[nH]c2ccc(Br)cc12 ZINC000020119447 212102813 /nfs/dbraw/zinc/10/28/13/212102813.db2.gz NMPUBLCCXWRDAV-KMKOMSMNSA-N 0 0 339.239 4.260 50 0 EIAARN CCOC(=O)Cc1sc(Nc2ccccn2)nc1-c1ccccc1 ZINC000020070464 212099843 /nfs/dbraw/zinc/09/98/43/212099843.db2.gz VUNKVEVRSZSEPL-UHFFFAOYSA-N 0 0 339.420 4.054 50 0 EIAARN Cc1cc(C)c2nc(C)cc(C(=O)N(C)[C@@H](C)c3cncs3)c2c1 ZINC000077304056 216869868 /nfs/dbraw/zinc/86/98/68/216869868.db2.gz QAKOLRQSBVTQIC-AWEZNQCLSA-N 0 0 339.464 4.450 50 0 EIAARN Cc1ccsc1C(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000077321944 216872854 /nfs/dbraw/zinc/87/28/54/216872854.db2.gz DGTXXHKUTXHNLU-AWEZNQCLSA-N 0 0 339.464 4.028 50 0 EIAARN COc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1Cl ZINC000019943408 212088769 /nfs/dbraw/zinc/08/87/69/212088769.db2.gz CNVPPURHHDSDBF-UHFFFAOYSA-N 0 0 347.823 4.303 50 0 EIAARN COc1cccc([C@H]2SCC(=O)N2c2ccc(F)c(Cl)c2)c1 ZINC000019926856 212084780 /nfs/dbraw/zinc/08/47/80/212084780.db2.gz MCNWWHMCCFRGKV-MRXNPFEDSA-N 0 0 337.803 4.266 50 0 EIAARN O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCC[C@@H]1c1ccccn1 ZINC000077428537 216901892 /nfs/dbraw/zinc/90/18/92/216901892.db2.gz VFQFNVXSKXNGJJ-HXUWFJFHSA-N 0 0 347.393 4.260 50 0 EIAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccco2)cc1 ZINC000019898751 212080661 /nfs/dbraw/zinc/08/06/61/212080661.db2.gz WFKPPTFMUAFHGI-UHFFFAOYSA-N 0 0 331.375 4.463 50 0 EIAARN CN(CCn1ccc2ccccc21)C(=O)c1cc(-c2ccccc2)on1 ZINC000077459995 216910927 /nfs/dbraw/zinc/91/09/27/216910927.db2.gz WDXIWBIYUOJKHM-UHFFFAOYSA-N 0 0 345.402 4.069 50 0 EIAARN CC(C)c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019827547 212073185 /nfs/dbraw/zinc/07/31/85/212073185.db2.gz GNKGGKOKTDQBMT-RMKNXTFCSA-N 0 0 348.490 4.281 50 0 EIAARN Cc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(C)cc1C ZINC000019837202 212074229 /nfs/dbraw/zinc/07/42/29/212074229.db2.gz LGKYPTLDTWNVJY-MRXNPFEDSA-N 0 0 337.467 4.260 50 0 EIAARN CCc1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)on1 ZINC000077505921 216923526 /nfs/dbraw/zinc/92/35/26/216923526.db2.gz FKETYYKSMOQYHJ-UHFFFAOYSA-N 0 0 336.391 4.302 50 0 EIAARN CCCc1cc(C(=O)N(Cc2ccccc2)Cc2cccc(C)n2)no1 ZINC000077523194 216927919 /nfs/dbraw/zinc/92/79/19/216927919.db2.gz KQGUYURAYORFSE-UHFFFAOYSA-N 0 0 349.434 4.173 50 0 EIAARN CCCc1[nH]c([C@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccccc1 ZINC000019770646 212063763 /nfs/dbraw/zinc/06/37/63/212063763.db2.gz IPCQWYXZQXYIIW-INIZCTEOSA-N 0 0 325.456 4.001 50 0 EIAARN COc1cccc([C@@H]2CCCCN2C(=O)c2ccc3nccnc3c2)c1 ZINC000077537496 216931818 /nfs/dbraw/zinc/93/18/18/216931818.db2.gz VOVKGOSGHCHLQM-FQEVSTJZSA-N 0 0 347.418 4.006 50 0 EIAARN COc1ccc(OC)c([C@@H]2CCN(c3ccc4ccccc4n3)C2)c1 ZINC000077565799 216938765 /nfs/dbraw/zinc/93/87/65/216938765.db2.gz GMRJISLETRTRME-MRXNPFEDSA-N 0 0 334.419 4.246 50 0 EIAARN Cc1ccc(O[C@H](C)CNc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000019738233 212059351 /nfs/dbraw/zinc/05/93/51/212059351.db2.gz DYUMWBRPHPTDHV-DYESRHJHSA-N 0 0 341.451 4.432 50 0 EIAARN Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000019736429 212058033 /nfs/dbraw/zinc/05/80/33/212058033.db2.gz KPGLNABKFAYUKV-CQSZACIVSA-N 0 0 326.440 4.281 50 0 EIAARN COc1cc2c(cc1OC)CN(C/C(Cl)=C/c1ccccc1)CC2 ZINC000019632686 212051526 /nfs/dbraw/zinc/05/15/26/212051526.db2.gz LWPHRRCEMZTFKB-ZDLGFXPLSA-N 0 0 343.854 4.342 50 0 EIAARN CSc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019536506 212039050 /nfs/dbraw/zinc/03/90/50/212039050.db2.gz RCTUEYFOGVWFPP-VMPITWQZSA-N 0 0 338.520 4.240 50 0 EIAARN CCCc1cc(CN(C)Cc2c[nH]nc2-c2cc3ccccc3o2)[nH]n1 ZINC000019301150 212014438 /nfs/dbraw/zinc/01/44/38/212014438.db2.gz AICLRSOHMRTFBM-UHFFFAOYSA-N 0 0 349.438 4.131 50 0 EIAARN CCCCC12CN3CC(C)(CN(C1)C3c1ccc(C(C)C)cc1)C2=O ZINC000019320108 212015778 /nfs/dbraw/zinc/01/57/78/212015778.db2.gz DNJISSMEIAJQGX-UHFFFAOYSA-N 0 0 340.511 4.205 50 0 biogenic EIAARN COc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)C(C)C)cc1 ZINC000019310875 212013962 /nfs/dbraw/zinc/01/39/62/212013962.db2.gz ZHTJOPQMZDNLLZ-JXFKEZNVSA-N 0 0 341.451 4.284 50 0 EIAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2-c2cncnc2)C1 ZINC000078101586 217022697 /nfs/dbraw/zinc/02/26/97/217022697.db2.gz YLTATYUCUYBXOY-QGZVFWFLSA-N 0 0 343.430 4.082 50 0 EIAARN C[C@H](OCCCNC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000018179313 211986259 /nfs/dbraw/zinc/98/62/59/211986259.db2.gz SDOBVWIAGNZMAA-ZDUSSCGKSA-N 0 0 334.366 4.254 50 0 EIAARN Cc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1 ZINC000018038393 211978969 /nfs/dbraw/zinc/97/89/69/211978969.db2.gz FDITWSSWIQMEGD-INIZCTEOSA-N 0 0 343.452 4.024 50 0 EIAARN CNc1nnc(SCc2csc(-c3cccs3)n2)s1 ZINC000017980108 211976354 /nfs/dbraw/zinc/97/63/54/211976354.db2.gz VWQRLRUPNSKGEU-UHFFFAOYSA-N 0 0 326.497 4.057 50 0 EIAARN CC(C)(C)C1CCC(O)(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000078646896 217094888 /nfs/dbraw/zinc/09/48/88/217094888.db2.gz JOHHTKYFFTVMDJ-JJQSQXROSA-N 0 0 347.474 4.013 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCc2ccccc2C1 ZINC000017322089 211965912 /nfs/dbraw/zinc/96/59/12/211965912.db2.gz ZADFTLYSRKSSJY-UHFFFAOYSA-N 0 0 328.415 4.256 50 0 EIAARN O=C(NC1CCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000017173095 211958478 /nfs/dbraw/zinc/95/84/78/211958478.db2.gz QHJHNOQBAAKAEQ-UHFFFAOYSA-N 0 0 327.811 4.243 50 0 EIAARN O=C(Nc1cccc2ccccc21)N1CCOC[C@@H]1c1ccccc1 ZINC000078936274 217151561 /nfs/dbraw/zinc/15/15/61/217151561.db2.gz AKHDTFBFVLRTBG-HXUWFJFHSA-N 0 0 332.403 4.445 50 0 EIAARN Cc1cc(S[C@H](C)C(=O)NCC2CCCCC2)nc(C(C)C)n1 ZINC000016454259 211905778 /nfs/dbraw/zinc/90/57/78/211905778.db2.gz RWZXOSHVJNVBQS-CQSZACIVSA-N 0 0 335.517 4.086 50 0 EIAARN CC(C)(C)S(=O)(=O)Cc1cccc(NCc2ccccc2F)c1 ZINC000079002867 217172764 /nfs/dbraw/zinc/17/27/64/217172764.db2.gz ZTCYQTPZMIJPCV-UHFFFAOYSA-N 0 0 335.444 4.151 50 0 EIAARN CC1(C)CCc2cc(CC(=O)Nc3cccc4[nH]ccc43)ccc2O1 ZINC000079191662 217200342 /nfs/dbraw/zinc/20/03/42/217200342.db2.gz MAHLRJLKBQFPRI-UHFFFAOYSA-N 0 0 334.419 4.453 50 0 biogenic EIAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000079308070 217205847 /nfs/dbraw/zinc/20/58/47/217205847.db2.gz UUPOIMFQBCMZPY-QGZVFWFLSA-N 0 0 348.450 4.032 50 0 EIAARN CCc1ccsc1C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000079361064 217214787 /nfs/dbraw/zinc/21/47/87/217214787.db2.gz AIKDNYZUQKDHSE-NRFANRHFSA-N 0 0 341.885 4.095 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2[nH]ccc2c1 ZINC000079481233 217231471 /nfs/dbraw/zinc/23/14/71/217231471.db2.gz TYDDQMKXSHSJEM-UHFFFAOYSA-N 0 0 331.375 4.394 50 0 EIAARN COc1ccccc1CNC(=O)Cc1cn(C(C)C)c2ccccc12 ZINC000079493520 217234104 /nfs/dbraw/zinc/23/41/04/217234104.db2.gz ABHCLPCWTABEPC-UHFFFAOYSA-N 0 0 336.435 4.090 50 0 EIAARN Cn1ccc2c1cccc2NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000079492329 217234233 /nfs/dbraw/zinc/23/42/33/217234233.db2.gz VVPPYQRUBSZUIS-UHFFFAOYSA-N 0 0 345.402 4.405 50 0 EIAARN O=c1[nH]n(C2CCCCC2)c2c1[C@@H](C(F)(F)F)SCC(=O)N2 ZINC000079495252 217234261 /nfs/dbraw/zinc/23/42/61/217234261.db2.gz MDCYRLZGWSSKCO-JTQLQIEISA-N 0 0 335.351 4.032 50 0 EIAARN Cc1c(C(=O)NCc2ccccc2)oc2c1[C@H]1N=C(C)S[C@@H]1CC2 ZINC000015730023 211846846 /nfs/dbraw/zinc/84/68/46/211846846.db2.gz FZGXMEVKEVVHQY-WBVHZDCISA-N 0 0 340.448 4.039 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3cccnc3)c3n2CCCCC3)cc1 ZINC000015677704 211842666 /nfs/dbraw/zinc/84/26/66/211842666.db2.gz BINSFEORJYMQBP-UHFFFAOYSA-N 0 0 346.434 4.232 50 0 EIAARN COc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1 ZINC000015658712 211837589 /nfs/dbraw/zinc/83/75/89/211837589.db2.gz UGSLRLYNZMLPLY-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN C[S@](=O)c1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000080133668 217281737 /nfs/dbraw/zinc/28/17/37/217281737.db2.gz JLDYSJZXIMBMHD-OYLFLEFRSA-N 0 0 346.452 4.166 50 0 EIAARN O=C(/C=C/C1CC1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000080328158 217298226 /nfs/dbraw/zinc/29/82/26/217298226.db2.gz XJSYKYSROLOWNM-LCJITAHGSA-N 0 0 339.460 4.040 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000015139377 211805380 /nfs/dbraw/zinc/80/53/80/211805380.db2.gz MBPUXWUBNYRNMS-UHFFFAOYSA-N 0 0 330.472 4.370 50 0 EIAARN Cc1cc(C)n([C@H](C)C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000081000276 217348173 /nfs/dbraw/zinc/34/81/73/217348173.db2.gz OFCGXLRXCRPVCZ-IAGOWNOFSA-N 0 0 348.450 4.000 50 0 EIAARN CC(C)=CC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000014966521 211779871 /nfs/dbraw/zinc/77/98/71/211779871.db2.gz PGSVJGSMUDBIOS-INIZCTEOSA-N 0 0 346.446 4.058 50 0 EIAARN C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000014775004 211761975 /nfs/dbraw/zinc/76/19/75/211761975.db2.gz CWOAGYSGNPOVFW-LLVKDONJSA-N 0 0 343.789 4.360 50 0 EIAARN Cc1cc(Nc2ccccc2)n2nc(-c3ccc(Cl)cc3)nc2n1 ZINC000014610318 211748925 /nfs/dbraw/zinc/74/89/25/211748925.db2.gz PPWNCAXXDWCVTR-UHFFFAOYSA-N 0 0 335.798 4.497 50 0 EIAARN O=C(CCc1ccco1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000014585979 211745581 /nfs/dbraw/zinc/74/55/81/211745581.db2.gz TVOWLDYKFVEZNT-UHFFFAOYSA-N 0 0 334.347 4.253 50 0 EIAARN CCN(Cc1ccc2c(c1)OCO2)c1ncnc2sc(C)c(C)c21 ZINC000014333606 211732561 /nfs/dbraw/zinc/73/25/61/211732561.db2.gz SOHUPNQALABEGN-UHFFFAOYSA-N 0 0 341.436 4.063 50 0 EIAARN Cc1cc2cc(C(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)ccc2o1 ZINC000082099758 217465982 /nfs/dbraw/zinc/46/59/82/217465982.db2.gz ISYSEINFVPGMLM-KRWDZBQOSA-N 0 0 348.446 4.340 50 0 EIAARN CCCn1nccc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000082106314 217465984 /nfs/dbraw/zinc/46/59/84/217465984.db2.gz VXANCQDVYYDCDM-UHFFFAOYSA-N 0 0 349.434 4.358 50 0 EIAARN COc1ccc(C(=O)N(C)[C@H](C)c2nc(C)sc2C)cc1Cl ZINC000082137377 217476330 /nfs/dbraw/zinc/47/63/30/217476330.db2.gz RDZJPKILAZHHNG-SECBINFHSA-N 0 0 338.860 4.255 50 0 EIAARN O=C(Nn1cnc2ccccc21)c1cc2c(s1)-c1ccccc1OC2 ZINC000014186996 211704182 /nfs/dbraw/zinc/70/41/82/211704182.db2.gz UNEIZDNZNGPLSK-UHFFFAOYSA-N 0 0 347.399 4.041 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000014124355 211686609 /nfs/dbraw/zinc/68/66/09/211686609.db2.gz FQPMSKKZJGXESD-UHFFFAOYSA-N 0 0 328.799 4.039 50 0 EIAARN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)n1c2ccccc2oc1=O ZINC000014105300 211682529 /nfs/dbraw/zinc/68/25/29/211682529.db2.gz MKHUEBLTRRLKJG-CYBMUJFWSA-N 0 0 338.407 4.092 50 0 EIAARN Cc1cnc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)cn1 ZINC000084258326 217591027 /nfs/dbraw/zinc/59/10/27/217591027.db2.gz OEMDDGLGYHAGIJ-KSSFIOAISA-N 0 0 339.439 4.133 50 0 EIAARN O=C(Nc1ccc2c(c1)oc1ccccc12)N1CC[C@@]2(CCOC2)C1 ZINC000084594607 217617979 /nfs/dbraw/zinc/61/79/79/217617979.db2.gz IXQNQENNQWDEPJ-HXUWFJFHSA-N 0 0 336.391 4.230 50 0 EIAARN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000013847368 211650196 /nfs/dbraw/zinc/65/01/96/211650196.db2.gz AJLKPGVIAZYLOI-MAUKXSAKSA-N 0 0 329.415 4.121 50 0 EIAARN CC[C@@H](C(=O)NCCCn1ccnc1-c1ccccc1)c1ccccc1 ZINC000085555059 217676458 /nfs/dbraw/zinc/67/64/58/217676458.db2.gz AUDLLYJYSFJEIZ-HXUWFJFHSA-N 0 0 347.462 4.250 50 0 EIAARN CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000013720793 211621245 /nfs/dbraw/zinc/62/12/45/211621245.db2.gz FPFUJJBMKMJVIY-HXUWFJFHSA-N 0 0 344.418 4.108 50 0 EIAARN COCCn1ccc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc21 ZINC000085876245 217686132 /nfs/dbraw/zinc/68/61/32/217686132.db2.gz NSPKYIVJVOORGE-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 biogenic EIAARN Cc1csc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000013686194 211611037 /nfs/dbraw/zinc/61/10/37/211611037.db2.gz LAIAFWAMUSIFIJ-UHFFFAOYSA-N 0 0 333.413 4.275 50 0 EIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)NC3CCCCC3)c12 ZINC000013642199 211597378 /nfs/dbraw/zinc/59/73/78/211597378.db2.gz ZWZNLBAXHCAOAV-UHFFFAOYSA-N 0 0 341.436 4.322 50 0 EIAARN C[C@]12CC3CC(CNC(=O)COc4ccccc4)(C1)C[C@@](C)(C3)C2 ZINC000013618560 211592885 /nfs/dbraw/zinc/59/28/85/211592885.db2.gz QJTXWWPOTFUUSK-SHYIKFMPSA-N 0 0 327.468 4.178 50 0 EIAARN COc1ccccc1NC(=S)N(C(C)C)[C@H](C)c1ccccn1 ZINC000013543877 211575192 /nfs/dbraw/zinc/57/51/92/211575192.db2.gz YQXBMQKGEOHGFW-CQSZACIVSA-N 0 0 329.469 4.259 50 0 EIAARN Cc1cccc(-c2noc([C@H](C)NC(=O)c3ccccc3Cl)n2)c1 ZINC000013495291 211567635 /nfs/dbraw/zinc/56/76/35/211567635.db2.gz NMFHPCKIUNPENK-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN CCn1c(SCc2ccc(F)cc2)nnc1-c1cccc(OC)c1 ZINC000013325761 211546337 /nfs/dbraw/zinc/54/63/37/211546337.db2.gz HWJGEMFILBFPDB-UHFFFAOYSA-N 0 0 343.427 4.405 50 0 EIAARN CCn1c(SCc2cccc(F)c2)nnc1-c1cccc(OC)c1 ZINC000013325563 211546184 /nfs/dbraw/zinc/54/61/84/211546184.db2.gz ONZHQKXOKCWVNS-UHFFFAOYSA-N 0 0 343.427 4.405 50 0 EIAARN Cc1ccnc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000013320495 211544534 /nfs/dbraw/zinc/54/45/34/211544534.db2.gz MHESRTOUTGLTMC-UHFFFAOYSA-N 0 0 330.697 4.101 50 0 EIAARN CN(C(=O)Cc1cccnc1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000089310255 217785135 /nfs/dbraw/zinc/78/51/35/217785135.db2.gz LBJVBKPUZJKWKL-OAHLLOKOSA-N 0 0 342.748 4.040 50 0 EIAARN CC(C)Oc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 ZINC000013071470 211518959 /nfs/dbraw/zinc/51/89/59/211518959.db2.gz BYCWKOSESQZPSG-UHFFFAOYSA-N 0 0 347.842 4.278 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2c(C)cccc2C)c(C)n1 ZINC000012988889 211501892 /nfs/dbraw/zinc/50/18/92/211501892.db2.gz DITHFDMMTZIPBU-UHFFFAOYSA-N 0 0 329.469 4.003 50 0 EIAARN COc1ccc([C@H](C)NC(=O)Cc2ccc3ccccc3c2)cc1F ZINC000012975102 211495602 /nfs/dbraw/zinc/49/56/02/211495602.db2.gz WHVTXKXJEIOAQW-AWEZNQCLSA-N 0 0 337.394 4.407 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000012917306 211482572 /nfs/dbraw/zinc/48/25/72/211482572.db2.gz DZDLPRMLCMEGDJ-UHFFFAOYSA-N 0 0 344.773 4.005 50 0 EIAARN COc1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c(OC)cc1Cl ZINC000012849114 211467968 /nfs/dbraw/zinc/46/79/68/211467968.db2.gz KHIBQNAHBDOQFK-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN COCCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012809423 211463195 /nfs/dbraw/zinc/46/31/95/211463195.db2.gz NUNLVRKXPDBCHN-UHFFFAOYSA-N 0 0 349.515 4.073 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000012792465 211457208 /nfs/dbraw/zinc/45/72/08/211457208.db2.gz FOAZGUIWOXRDSL-LJQANCHMSA-N 0 0 338.382 4.293 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccccc3F)n2)C1 ZINC000012791849 211457323 /nfs/dbraw/zinc/45/73/23/211457323.db2.gz FVWQKFXLNFINTP-CHWSQXEVSA-N 0 0 347.459 4.012 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000012789839 211456985 /nfs/dbraw/zinc/45/69/85/211456985.db2.gz BJJMMNBPQJVQIR-CQSZACIVSA-N 0 0 346.386 4.123 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1Cl ZINC000012749663 211443917 /nfs/dbraw/zinc/44/39/17/211443917.db2.gz XPSCEDIGMCPJSR-HNNXBMFYSA-N 0 0 345.826 4.459 50 0 EIAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3F)ccc2o1 ZINC000012735899 211441303 /nfs/dbraw/zinc/44/13/03/211441303.db2.gz RIRCCYAGONRIFV-SECBINFHSA-N 0 0 347.777 4.368 50 0 EIAARN CC(C)c1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 ZINC000012689392 211433559 /nfs/dbraw/zinc/43/35/59/211433559.db2.gz BZZFIKZUQXZLIX-UHFFFAOYSA-N 0 0 328.437 4.472 50 0 EIAARN COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)C3CCCC3)cc21 ZINC000012638318 211427645 /nfs/dbraw/zinc/42/76/45/211427645.db2.gz CBPDFUYGXFHIAF-UHFFFAOYSA-N 0 0 341.407 4.167 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)CCNC(=O)c1ccsc1 ZINC000012752372 211445558 /nfs/dbraw/zinc/44/55/58/211445558.db2.gz CXJMDTRXORMHBP-CYBMUJFWSA-N 0 0 330.453 4.020 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000012567179 211412198 /nfs/dbraw/zinc/41/21/98/211412198.db2.gz UAEYBPUNSDSWRW-QMTHXVAHSA-N 0 0 335.245 4.239 50 0 EIAARN O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1ccc(F)cc1F ZINC000012422189 211376745 /nfs/dbraw/zinc/37/67/45/211376745.db2.gz SJYMNYZHFVDYDX-UHFFFAOYSA-N 0 0 348.736 4.454 50 0 EIAARN CCCc1noc([C@@H](C)Sc2ncc(-c3ccccc3)n2C)n1 ZINC000012525264 211399367 /nfs/dbraw/zinc/39/93/67/211399367.db2.gz UIDZXEGDFMUTDS-GFCCVEGCSA-N 0 0 328.441 4.276 50 0 EIAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)CC[C@@H]1CCCCO1 ZINC000012476940 211391417 /nfs/dbraw/zinc/39/14/17/211391417.db2.gz XWSWIKGEFDMAIP-INIZCTEOSA-N 0 0 329.440 4.389 50 0 EIAARN CC(C)(C)c1cc(NC(=O)c2ccc(Br)s2)no1 ZINC000012381618 211361445 /nfs/dbraw/zinc/36/14/45/211361445.db2.gz RABRJNUCXLJNMA-UHFFFAOYSA-N 0 0 329.219 4.048 50 0 EIAARN CCCC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F ZINC000012419222 211375101 /nfs/dbraw/zinc/37/51/01/211375101.db2.gz IKVADSWUSPBDMB-UHFFFAOYSA-N 0 0 342.283 4.144 50 0 EIAARN CCOP(=O)(OCC)C(C)(C)NC(=O)Nc1ccc(C)cc1 ZINC000012411246 211371484 /nfs/dbraw/zinc/37/14/84/211371484.db2.gz JIZCBDGLGJFGSK-UHFFFAOYSA-N 0 0 328.349 4.119 50 0 EIAARN O=C(Nc1cccc(Cl)c1)C1=C(c2ccccc2)SCCO1 ZINC000012406456 211370691 /nfs/dbraw/zinc/37/06/91/211370691.db2.gz IORMCWCWXFDMCI-UHFFFAOYSA-N 0 0 331.824 4.411 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1F ZINC000012404416 211369759 /nfs/dbraw/zinc/36/97/59/211369759.db2.gz ZMMPCDUMSLHKBT-UHFFFAOYSA-N 0 0 340.398 4.094 50 0 EIAARN CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012404134 211368618 /nfs/dbraw/zinc/36/86/18/211368618.db2.gz IHCLSRUDOFKAJM-UHFFFAOYSA-N 0 0 345.830 4.466 50 0 EIAARN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000012389444 211364648 /nfs/dbraw/zinc/36/46/48/211364648.db2.gz ZHKQJIYAIZINHH-SFHVURJKSA-N 0 0 340.810 4.005 50 0 EIAARN O=C(Nc1c(Cl)cccc1Cl)C(=O)c1c[nH]c2ccccc12 ZINC000012360151 211356077 /nfs/dbraw/zinc/35/60/77/211356077.db2.gz KWVDTPFQUMWORN-UHFFFAOYSA-N 0 0 333.174 4.296 50 0 EIAARN CC(=O)Nc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 ZINC000012351679 211354279 /nfs/dbraw/zinc/35/42/79/211354279.db2.gz YBOPPFZBKYAFKJ-NVNXTCNLSA-N 0 0 346.308 4.157 50 0 EIAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccccn1 ZINC000012325030 211348131 /nfs/dbraw/zinc/34/81/31/211348131.db2.gz HTNDOMWGHXIGCD-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN Cc1ccsc1-c1nnc2sc(-c3cc(F)ccc3F)nn21 ZINC000012322252 211346562 /nfs/dbraw/zinc/34/65/62/211346562.db2.gz PMAOILOMHAAICB-UHFFFAOYSA-N 0 0 334.376 4.168 50 0 EIAARN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000012316649 211344854 /nfs/dbraw/zinc/34/48/54/211344854.db2.gz PVIMQTAJSVHBKH-HXUWFJFHSA-N 0 0 345.446 4.172 50 0 EIAARN Cc1cccnc1CCNc1nncc(-c2cccc3ccccc32)n1 ZINC000012318748 211344295 /nfs/dbraw/zinc/34/42/95/211344295.db2.gz ZLDCNDQIXKSWAM-UHFFFAOYSA-N 0 0 341.418 4.050 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCCc1ccccc1)CC3 ZINC000012296422 211335105 /nfs/dbraw/zinc/33/51/05/211335105.db2.gz NLFFWGOHCUVHAH-UHFFFAOYSA-N 0 0 348.446 4.084 50 0 biogenic EIAARN CCCc1cc(=O)[nH]c(SCc2nc(-c3ccccc3)oc2C)n1 ZINC000012262802 211331391 /nfs/dbraw/zinc/33/13/91/211331391.db2.gz LZFAVEHBXYSTID-UHFFFAOYSA-N 0 0 341.436 4.390 50 0 EIAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1 ZINC000012226175 211325654 /nfs/dbraw/zinc/32/56/54/211325654.db2.gz YYRINABYZJZACD-UHFFFAOYSA-N 0 0 348.324 4.306 50 0 EIAARN Cc1ccc(CN(C)Cc2nc(Cc3ccccc3Cl)no2)cc1 ZINC000012195769 211316911 /nfs/dbraw/zinc/31/69/11/211316911.db2.gz AHVFHERNYZYWHW-UHFFFAOYSA-N 0 0 341.842 4.254 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000012138244 211303725 /nfs/dbraw/zinc/30/37/25/211303725.db2.gz KDXSNPOVAUJRMF-LBPRGKRZSA-N 0 0 330.815 4.121 50 0 EIAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)oc2c1 ZINC000012111564 211292025 /nfs/dbraw/zinc/29/20/25/211292025.db2.gz MGBQMFGUKQTYHT-UHFFFAOYSA-N 0 0 347.292 4.373 50 0 EIAARN CSc1ccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)cc1 ZINC000012073297 211285709 /nfs/dbraw/zinc/28/57/09/211285709.db2.gz OYHPHFZZSGTCNT-KRWDZBQOSA-N 0 0 344.455 4.264 50 0 EIAARN CCCC(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000012056039 211285216 /nfs/dbraw/zinc/28/52/16/211285216.db2.gz LHVGTTPGYVOHLV-CQSZACIVSA-N 0 0 335.856 4.288 50 0 EIAARN CSc1ccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 ZINC000012039838 211282609 /nfs/dbraw/zinc/28/26/09/211282609.db2.gz AQWFPPMGULKWIO-UHFFFAOYSA-N 0 0 331.485 4.059 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3cccnc3)[nH]n2)cc1 ZINC000091441309 218006033 /nfs/dbraw/zinc/00/60/33/218006033.db2.gz PNYLPDJMYWWOIN-HXUWFJFHSA-N 0 0 346.434 4.148 50 0 EIAARN Cc1c2ccc(C)cc2oc1C(=O)N1CC(Oc2ccccc2F)C1 ZINC000091445212 218007459 /nfs/dbraw/zinc/00/74/59/218007459.db2.gz MEZSHDKFKIFNKW-UHFFFAOYSA-N 0 0 339.366 4.092 50 0 EIAARN COc1cccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)c1 ZINC000011914855 211268032 /nfs/dbraw/zinc/26/80/32/211268032.db2.gz VQSHWSWHSQSXSZ-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN CC[C@H](C(=O)NCc1ccc(-c2cccc(Cl)c2)o1)n1cccn1 ZINC000091459418 218010044 /nfs/dbraw/zinc/01/00/44/218010044.db2.gz XAOGQWJCIPSVRG-MRXNPFEDSA-N 0 0 343.814 4.064 50 0 EIAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(Cl)cc3)oc2c1 ZINC000011914646 211267682 /nfs/dbraw/zinc/26/76/82/211267682.db2.gz UACORUIYCGNCGK-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN Cc1ccccc1CSc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 ZINC000011905595 211266210 /nfs/dbraw/zinc/26/62/10/211266210.db2.gz GYMVRAFYDKXVLP-UHFFFAOYSA-N 0 0 336.460 4.270 50 0 EIAARN Cc1c([C@@H](C)NC(=O)Nc2ccc(C)cc2C)cnn1-c1ccccn1 ZINC000011821944 211252305 /nfs/dbraw/zinc/25/23/05/211252305.db2.gz KIERXGGUOJFSBP-OAHLLOKOSA-N 0 0 349.438 4.075 50 0 EIAARN O=C(Cc1csc(-c2ccccc2F)n1)N1CCc2ccccc21 ZINC000011865436 211260813 /nfs/dbraw/zinc/26/08/13/211260813.db2.gz VOXOGTVVDZAGDA-UHFFFAOYSA-N 0 0 338.407 4.081 50 0 EIAARN Cc1cccc2nc(C(=O)N3CCCCC[C@@H]3c3ccco3)c(F)n21 ZINC000091563431 218022547 /nfs/dbraw/zinc/02/25/47/218022547.db2.gz SMNKUPWGFWVZFF-CQSZACIVSA-N 0 0 341.386 4.132 50 0 EIAARN CC[C@H](C(=O)N(Cc1ccsc1)C1CCCCC1)n1cccn1 ZINC000091562700 218022961 /nfs/dbraw/zinc/02/29/61/218022961.db2.gz WWJFUHNFUBNXSZ-QGZVFWFLSA-N 0 0 331.485 4.257 50 0 EIAARN CCn1nccc1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000011695980 211239103 /nfs/dbraw/zinc/23/91/03/211239103.db2.gz WYQKPUAYIJJKSE-UHFFFAOYSA-N 0 0 348.431 4.432 50 0 EIAARN COc1c(C)cnc(CN(C)C(=O)c2ccc3oc(C)cc3c2)c1C ZINC000091645236 218038771 /nfs/dbraw/zinc/03/87/71/218038771.db2.gz YCUYNCCWCBAXKT-UHFFFAOYSA-N 0 0 338.407 4.034 50 0 EIAARN Cc1cc(N2CCCC2)ccc1NC(=O)CCC(=O)c1ccccc1 ZINC000011766399 211245953 /nfs/dbraw/zinc/24/59/53/211245953.db2.gz GCFDTYMXLKPVDH-UHFFFAOYSA-N 0 0 336.435 4.197 50 0 EIAARN Cc1c2ccc(C)cc2oc1C(=O)N(C)Cc1ccc2nccnc2c1 ZINC000091656702 218040703 /nfs/dbraw/zinc/04/07/03/218040703.db2.gz FYFNYOBBFLOCOB-UHFFFAOYSA-N 0 0 345.402 4.265 50 0 EIAARN CSc1ccccc1NC(=O)Cc1cc(-c2ccc(F)cc2)on1 ZINC000011693145 211236432 /nfs/dbraw/zinc/23/64/32/211236432.db2.gz DTCWSFPOLPJRBF-UHFFFAOYSA-N 0 0 342.395 4.384 50 0 EIAARN CCc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3CC)c2C)cc1 ZINC000011690264 211233032 /nfs/dbraw/zinc/23/30/32/211233032.db2.gz WVMMBWJRNUXRHL-UHFFFAOYSA-N 0 0 348.450 4.261 50 0 EIAARN Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000011666698 211231767 /nfs/dbraw/zinc/23/17/67/211231767.db2.gz CWHAWZXDHHJZSO-VXGBXAGGSA-N 0 0 333.815 4.158 50 0 EIAARN Cc1scc(C(=O)N2CCC[C@]3(CCOC3)C2)c1-c1ccccc1 ZINC000091770082 218063478 /nfs/dbraw/zinc/06/34/78/218063478.db2.gz MLJRPDWENVQAGS-FQEVSTJZSA-N 0 0 341.476 4.366 50 0 EIAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000011636464 211227786 /nfs/dbraw/zinc/22/77/86/211227786.db2.gz UEKKUGBMYVPLPR-NSHDSACASA-N 0 0 339.313 4.120 50 0 EIAARN Cc1[nH]c2c(c1C(=O)N1CCCCC[C@H]1c1ccco1)C(=O)CCC2 ZINC000091781068 218065079 /nfs/dbraw/zinc/06/50/79/218065079.db2.gz OHEIVHNJOOQBBQ-HNNXBMFYSA-N 0 0 340.423 4.193 50 0 EIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000011614166 211226027 /nfs/dbraw/zinc/22/60/27/211226027.db2.gz MNJOBPINKOEJJF-SNVBAGLBSA-N 0 0 342.247 4.133 50 0 EIAARN CCCN1CCCc2cc(CCNC(=O)c3cccc(C)c3)ccc21 ZINC000011612974 211224838 /nfs/dbraw/zinc/22/48/38/211224838.db2.gz CDGATSJVBRAIIX-UHFFFAOYSA-N 0 0 336.479 4.130 50 0 EIAARN Cc1ccc(N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)nn1 ZINC000091943851 218092046 /nfs/dbraw/zinc/09/20/46/218092046.db2.gz URONLIRQSXQRIJ-GOSISDBHSA-N 0 0 333.439 4.077 50 0 EIAARN Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl ZINC000011427033 211216157 /nfs/dbraw/zinc/21/61/57/211216157.db2.gz WRJIUWJEHAVMGF-UHFFFAOYSA-N 0 0 346.839 4.335 50 0 EIAARN C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1C(C)C ZINC000011368401 211213618 /nfs/dbraw/zinc/21/36/18/211213618.db2.gz MTACLUFUCGLRMC-UHFFFAOYSA-N 0 0 334.419 4.265 50 0 EIAARN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)c2c1[C@@H](C)CC2=O ZINC000011052482 211202829 /nfs/dbraw/zinc/20/28/29/211202829.db2.gz FPBKGYTZXTVAMQ-LBPRGKRZSA-N 0 0 343.810 4.356 50 0 EIAARN Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000011009393 211200830 /nfs/dbraw/zinc/20/08/30/211200830.db2.gz KYKDECUULRYXSN-UHFFFAOYSA-N 0 0 335.363 4.484 50 0 EIAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCCC[C@@H]1c1ccn(C)n1 ZINC000091943825 218092681 /nfs/dbraw/zinc/09/26/81/218092681.db2.gz CJGARUOUFVYFBD-QGZVFWFLSA-N 0 0 337.423 4.151 50 0 EIAARN CC(C)c1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000011154277 211205541 /nfs/dbraw/zinc/20/55/41/211205541.db2.gz XQSZJRWJQWQNIH-LJQANCHMSA-N 0 0 326.415 4.381 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000010824938 211191697 /nfs/dbraw/zinc/19/16/97/211191697.db2.gz DKYJBWBMRZRYTE-UHFFFAOYSA-N 0 0 327.424 4.018 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCc2sccc2C1 ZINC000010767834 211188496 /nfs/dbraw/zinc/18/84/96/211188496.db2.gz ZLHGBZULJGYMSZ-GFCCVEGCSA-N 0 0 334.872 4.095 50 0 EIAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000010691913 211187415 /nfs/dbraw/zinc/18/74/15/211187415.db2.gz UHLUYXHFHFYFAV-QGZVFWFLSA-N 0 0 330.387 4.323 50 0 EIAARN CN(C(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccccc1 ZINC000010740859 211187218 /nfs/dbraw/zinc/18/72/18/211187218.db2.gz KPDWKPNUCPRPIY-UHFFFAOYSA-N 0 0 347.443 4.268 50 0 EIAARN CCOc1ccc2nc(NC(=O)Cc3cc(C)ccc3C)sc2c1 ZINC000010700027 211186943 /nfs/dbraw/zinc/18/69/43/211186943.db2.gz CLCPMIBIOHPIJH-UHFFFAOYSA-N 0 0 340.448 4.493 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)c(C)c1 ZINC000010677217 211185891 /nfs/dbraw/zinc/18/58/91/211185891.db2.gz ZMXSHBWPQXHDEA-SFHVURJKSA-N 0 0 329.465 4.041 50 0 EIAARN O=C(Nc1cccc2ccccc21)c1ccc(Cn2cccn2)cc1 ZINC000010641891 211183729 /nfs/dbraw/zinc/18/37/29/211183729.db2.gz UMGDSEUNWFNLLT-UHFFFAOYSA-N 0 0 327.387 4.337 50 0 EIAARN Cc1nnsc1CN(C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000092061932 218111909 /nfs/dbraw/zinc/11/19/09/218111909.db2.gz BTVQNALAKIMCFX-UHFFFAOYSA-N 0 0 347.827 4.032 50 0 EIAARN Cc1nc2ccc(NC(=O)c3c[nH]nc3-c3ccccc3)cc2s1 ZINC000010556515 211181335 /nfs/dbraw/zinc/18/13/35/211181335.db2.gz PZGNKJWNIWQHBP-UHFFFAOYSA-N 0 0 334.404 4.247 50 0 EIAARN COc1cc(CNC(=O)c2ccccc2Cl)ccc1OC(C)C ZINC000010542665 211180507 /nfs/dbraw/zinc/18/05/07/211180507.db2.gz TYCYGZSVCADQEC-UHFFFAOYSA-N 0 0 333.815 4.066 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1 ZINC000010512182 211179194 /nfs/dbraw/zinc/17/91/94/211179194.db2.gz ZRLOXIVZSLECGS-UHFFFAOYSA-N 0 0 345.445 4.225 50 0 EIAARN COc1ccc2cc(CNC(=O)N[C@H](C)c3ccccc3)ccc2c1 ZINC000010495543 211176904 /nfs/dbraw/zinc/17/69/04/211176904.db2.gz RJCNKNMWWFVDFB-OAHLLOKOSA-N 0 0 334.419 4.409 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 ZINC000010460672 211173921 /nfs/dbraw/zinc/17/39/21/211173921.db2.gz BVPWGNHKUVPFDN-UHFFFAOYSA-N 0 0 336.435 4.119 50 0 EIAARN Cc1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c(F)c1 ZINC000010411471 211171123 /nfs/dbraw/zinc/17/11/23/211171123.db2.gz QFVTVUXEADTKSX-UHFFFAOYSA-N 0 0 326.375 4.020 50 0 EIAARN Cc1cccc(OCCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000010406951 211170422 /nfs/dbraw/zinc/17/04/22/211170422.db2.gz KYXDTEGXWZFJIC-UHFFFAOYSA-N 0 0 327.468 4.097 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000010373907 211168722 /nfs/dbraw/zinc/16/87/22/211168722.db2.gz WTZQGZAXKVPEIV-UHFFFAOYSA-N 0 0 337.206 4.228 50 0 EIAARN CCn1c(C)cc(C(=O)CSc2nc3cc(C)ccc3[nH]2)c1C ZINC000010231565 211155841 /nfs/dbraw/zinc/15/58/41/211155841.db2.gz GXHJKCZISFFAMH-UHFFFAOYSA-N 0 0 327.453 4.285 50 0 EIAARN CCOc1ccccc1-c1nn2c(nnc2-c2cccc(F)c2)s1 ZINC000010311582 211162908 /nfs/dbraw/zinc/16/29/08/211162908.db2.gz KHSVXJZXYOCSMB-UHFFFAOYSA-N 0 0 340.383 4.058 50 0 EIAARN O=c1oc2ccccc2c(NCc2ccccn2)c1Cc1ccccc1 ZINC000010313730 211162940 /nfs/dbraw/zinc/16/29/40/211162940.db2.gz NSIQMNLANJTUER-UHFFFAOYSA-N 0 0 342.398 4.391 50 0 EIAARN Cc1ccccc1[C@@H]1CC(=O)c2cnc(NCc3ccccc3)nc2C1 ZINC000010156885 211151710 /nfs/dbraw/zinc/15/17/10/211151710.db2.gz JGHHKTUMNNCUTD-KRWDZBQOSA-N 0 0 343.430 4.310 50 0 EIAARN Cc1nc(C)c(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000010143593 211150529 /nfs/dbraw/zinc/15/05/29/211150529.db2.gz XZJFMPOAGHZQFJ-HYFFIUAVSA-N 0 0 347.480 4.091 50 0 EIAARN CC(C)c1ccc([C@@H](C)NC(=O)CN2CCc3sccc3C2)cc1 ZINC000010093591 211147341 /nfs/dbraw/zinc/14/73/41/211147341.db2.gz BNTCYQYNWSIWKC-OAHLLOKOSA-N 0 0 342.508 4.107 50 0 EIAARN CCOC(=O)c1sc(NC(=O)Cc2ccc(Cl)s2)cc1C ZINC000010060999 211145937 /nfs/dbraw/zinc/14/59/37/211145937.db2.gz LBLAIIGDAYXJRO-UHFFFAOYSA-N 0 0 343.857 4.129 50 0 EIAARN C[C@H](Sc1nnc(NC2CC2)s1)c1nnc(-c2ccccc2)o1 ZINC000010028056 211141907 /nfs/dbraw/zinc/14/19/07/211141907.db2.gz VBGKKFQJAHJJMG-VIFPVBQESA-N 0 0 345.453 4.016 50 0 EIAARN O=C1CCc2c1cccc2OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000010198167 211153608 /nfs/dbraw/zinc/15/36/08/211153608.db2.gz AYUFTJSAVHXQOI-UHFFFAOYSA-N 0 0 340.766 4.098 50 0 EIAARN O=C(NCCc1ccccc1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000009961973 211137311 /nfs/dbraw/zinc/13/73/11/211137311.db2.gz FOGBEUCTLOVLBJ-UHFFFAOYSA-N 0 0 347.462 4.300 50 0 EIAARN Cc1[nH]c2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2c1C ZINC000009950358 211135746 /nfs/dbraw/zinc/13/57/46/211135746.db2.gz AOCUQCVKUQESIF-UHFFFAOYSA-N 0 0 347.418 4.164 50 0 EIAARN O=C(c1cccc(Br)c1)N1CCC[C@H]1c1ccccc1 ZINC000009894936 211131541 /nfs/dbraw/zinc/13/15/41/211131541.db2.gz NINXJXDNJRATHT-INIZCTEOSA-N 0 0 330.225 4.426 50 0 EIAARN O=C(c1cccc(C(F)(F)F)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000009899742 211131267 /nfs/dbraw/zinc/13/12/67/211131267.db2.gz YATBUZSCAYAMBO-UHFFFAOYSA-N 0 0 344.336 4.385 50 0 EIAARN Cc1sc(CNC(=O)c2ccccc2)nc1-c1ccc(F)cc1 ZINC000009836373 211126464 /nfs/dbraw/zinc/12/64/64/211126464.db2.gz WKPRZZPJDWTVTR-UHFFFAOYSA-N 0 0 326.396 4.188 50 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4.265 50 0 EIAARN CCNc1cc(C)nc(Nc2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000009573275 211102886 /nfs/dbraw/zinc/10/28/86/211102886.db2.gz LVWAJCLMOBQLPQ-UHFFFAOYSA-N 0 0 341.459 4.335 50 0 EIAARN O=c1c(SCc2ccc(Cl)cc2)nccn1-c1ccc(F)cc1 ZINC000009639629 211111318 /nfs/dbraw/zinc/11/13/18/211111318.db2.gz CWXWIXYPZQNHAU-UHFFFAOYSA-N 0 0 346.814 4.317 50 0 EIAARN COC(=O)c1ccccc1NC(=O)c1cc(Cl)sc1Cl ZINC000009614064 211109578 /nfs/dbraw/zinc/10/95/78/211109578.db2.gz FMFNPPZHBAGFTA-UHFFFAOYSA-N 0 0 330.192 4.094 50 0 EIAARN CC(=O)N1N=C(c2ccc(F)cc2)O[C@@]1(C)c1ccc2ccccc2c1 ZINC000009584571 211105499 /nfs/dbraw/zinc/10/54/99/211105499.db2.gz RCFXBCGLXJMBFC-NRFANRHFSA-N 0 0 348.377 4.392 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000009514957 211095205 /nfs/dbraw/zinc/09/52/05/211095205.db2.gz OZJVNVVQWDZZCG-UHFFFAOYSA-N 0 0 347.827 4.244 50 0 EIAARN COc1ccccc1NC(=O)NCCCSc1ccc(F)cc1 ZINC000009513959 211094792 /nfs/dbraw/zinc/09/47/92/211094792.db2.gz JQACAPXGSUMMDR-UHFFFAOYSA-N 0 0 334.416 4.138 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1OC(F)(F)F ZINC000009499530 211092460 /nfs/dbraw/zinc/09/24/60/211092460.db2.gz NLBGLZNWGGBFOC-UHFFFAOYSA-N 0 0 334.297 4.248 50 0 EIAARN Fc1ccc(-n2ncc3c2ncnc3Oc2ccc(Cl)cc2)cc1 ZINC000009569675 211101026 /nfs/dbraw/zinc/10/10/26/211101026.db2.gz PLAZJUSOLTUXSI-UHFFFAOYSA-N 0 0 340.745 4.400 50 0 EIAARN C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccs1 ZINC000009547889 211100756 /nfs/dbraw/zinc/10/07/56/211100756.db2.gz KIPKXFVQDIQMJV-CYBMUJFWSA-N 0 0 337.448 4.302 50 0 EIAARN COc1ccc(-c2ocnc2C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000009527259 211096302 /nfs/dbraw/zinc/09/63/02/211096302.db2.gz YADSQYSIYPROKE-SFHVURJKSA-N 0 0 348.402 4.158 50 0 EIAARN C[C@@H](c1cccs1)N(C)CC(=O)Nc1ccc(F)cc1Cl ZINC000009494266 211092200 /nfs/dbraw/zinc/09/22/00/211092200.db2.gz XRIWATPFUSSVAR-JTQLQIEISA-N 0 0 326.824 4.172 50 0 EIAARN Cc1nc(COc2ccccc2C(=O)NC2CCCCCC2)cs1 ZINC000009512370 211095966 /nfs/dbraw/zinc/09/59/66/211095966.db2.gz UFWNXPGNXYAZFI-UHFFFAOYSA-N 0 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CAGCNBLECVIQKM-LBPRGKRZSA-N 0 0 348.830 4.105 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1nnc(/C=C/c2ccccc2)s1 ZINC000009328961 211068815 /nfs/dbraw/zinc/06/88/15/211068815.db2.gz OOBQOPWXUQOOSD-PHEQNACWSA-N 0 0 333.416 4.360 50 0 EIAARN Cc1ccc(-n2ccnc(NCc3ccc(Cl)cc3)c2=O)c(C)c1 ZINC000009320306 211067890 /nfs/dbraw/zinc/06/78/90/211067890.db2.gz GRHPNNNGNWSSRA-UHFFFAOYSA-N 0 0 339.826 4.115 50 0 EIAARN CCc1cccc(N(C(=O)Nc2cccc(OC)c2)C2=NCCC2)c1 ZINC000009316171 211065997 /nfs/dbraw/zinc/06/59/97/211065997.db2.gz SFROOSHFABKGBR-UHFFFAOYSA-N 0 0 337.423 4.488 50 0 EIAARN CCOc1ccc(Oc2ccccc2NCC(=O)NC(C)(C)C)cc1 ZINC000009314832 211064472 /nfs/dbraw/zinc/06/44/72/211064472.db2.gz FYSUBZIOLRFFAQ-UHFFFAOYSA-N 0 0 342.439 4.204 50 0 EIAARN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)C2CC2)cc1 ZINC000009303239 211063372 /nfs/dbraw/zinc/06/33/72/211063372.db2.gz BSPXHCDMUKSSRX-LJQANCHMSA-N 0 0 347.418 4.141 50 0 EIAARN COc1ccccc1NC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000009255964 211058188 /nfs/dbraw/zinc/05/81/88/211058188.db2.gz LXOXVVAHSPXVFL-UHFFFAOYSA-N 0 0 349.814 4.397 50 0 EIAARN Nc1c2cccnc2sc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000009295560 211063181 /nfs/dbraw/zinc/06/31/81/211063181.db2.gz MLZKIBMVNHPUAP-UHFFFAOYSA-N 0 0 338.219 4.438 50 0 EIAARN Cc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CCCC1 ZINC000009265595 211059859 /nfs/dbraw/zinc/05/98/59/211059859.db2.gz MPRLDKJYDSHSJM-UHFFFAOYSA-N 0 0 348.402 4.230 50 0 EIAARN CN(Cc1ccccc1Br)C(=O)c1cc2ccccc2o1 ZINC000009255269 211058537 /nfs/dbraw/zinc/05/85/37/211058537.db2.gz NUJAVZAYKLWOEG-UHFFFAOYSA-N 0 0 344.208 4.468 50 0 EIAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 ZINC000009250686 211058039 /nfs/dbraw/zinc/05/80/39/211058039.db2.gz ZWIPBEZVICLHAB-LJQANCHMSA-N 0 0 349.459 4.264 50 0 EIAARN CCCOc1ccccc1C(=O)Nc1cccc(NC(=O)CC)c1 ZINC000009230867 211057089 /nfs/dbraw/zinc/05/70/89/211057089.db2.gz QYDWRBWFBUQTGR-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN Cc1cc(Nc2cccc(C)c2C)n2nc(-c3ccccc3)nc2n1 ZINC000009185300 211049339 /nfs/dbraw/zinc/04/93/39/211049339.db2.gz UUPJHJFOMAYYLJ-UHFFFAOYSA-N 0 0 329.407 4.460 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2cnn(-c3ccccc3)c2Cl)c1 ZINC000095117428 218281392 /nfs/dbraw/zinc/28/13/92/218281392.db2.gz WAPYJLVYGXBIHK-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccn1 ZINC000009154471 211046266 /nfs/dbraw/zinc/04/62/66/211046266.db2.gz TXHBYDFAAAMMRH-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c1 ZINC000009155369 211045922 /nfs/dbraw/zinc/04/59/22/211045922.db2.gz IGTUOVDIWURAHS-NSHDSACASA-N 0 0 335.762 4.088 50 0 EIAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CC(C)C)ccc1O2 ZINC000009135327 211044180 /nfs/dbraw/zinc/04/41/80/211044180.db2.gz VDAUUCLDUSDRNU-UHFFFAOYSA-N 0 0 338.407 4.362 50 0 EIAARN O=C(Cc1cccs1)Nc1nnc(CSc2ccccc2)s1 ZINC000009095438 211038831 /nfs/dbraw/zinc/03/88/31/211038831.db2.gz UKOOSSJQDHJANG-UHFFFAOYSA-N 0 0 347.490 4.073 50 0 EIAARN Clc1ccccc1-c1nn2c(CCc3ccccc3)nnc2s1 ZINC000009049342 211035139 /nfs/dbraw/zinc/03/51/39/211035139.db2.gz SHBQDFUANBIYTM-UHFFFAOYSA-N 0 0 340.839 4.291 50 0 EIAARN Cc1ccc2nc(NC(=O)c3ccc(Br)o3)sc2c1 ZINC000009015898 211032194 /nfs/dbraw/zinc/03/21/94/211032194.db2.gz HGFPAJKGVAMTFY-UHFFFAOYSA-N 0 0 337.198 4.213 50 0 EIAARN CC(C)CCN1c2cc(NC(=O)C(C)C)ccc2OCC(C)(C)C1=O ZINC000008959980 211024514 /nfs/dbraw/zinc/02/45/14/211024514.db2.gz GCLGWIQEJSVBPY-UHFFFAOYSA-N 0 0 346.471 4.079 50 0 EIAARN COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)c1 ZINC000095374604 218307626 /nfs/dbraw/zinc/30/76/26/218307626.db2.gz QNJPOXQCDPYXDQ-HXUWFJFHSA-N 0 0 347.418 4.063 50 0 EIAARN Cc1noc(C)c1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008982482 211025339 /nfs/dbraw/zinc/02/53/39/211025339.db2.gz YGWAWUAMQPNOMG-UHFFFAOYSA-N 0 0 344.798 4.064 50 0 EIAARN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC1CC1 ZINC000008985310 211025386 /nfs/dbraw/zinc/02/53/86/211025386.db2.gz UXBKMHVCFCFKRQ-UHFFFAOYSA-N 0 0 332.403 4.220 50 0 EIAARN Cc1cccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1C ZINC000008944609 211021529 /nfs/dbraw/zinc/02/15/29/211021529.db2.gz GEIAILPOUXXNQR-INIZCTEOSA-N 0 0 325.408 4.114 50 0 EIAARN COc1ccc(CNC(=O)c2cc(Cl)sc2Cl)cc1OC ZINC000008924100 211019038 /nfs/dbraw/zinc/01/90/38/211019038.db2.gz ABMITYKREQBYCJ-UHFFFAOYSA-N 0 0 346.235 4.002 50 0 EIAARN COc1ccc(CN(CC(=O)c2c[nH]c3ccccc23)C2CC2)cc1 ZINC000008922568 211018881 /nfs/dbraw/zinc/01/88/81/211018881.db2.gz CXOCKFIISWCVMQ-UHFFFAOYSA-N 0 0 334.419 4.024 50 0 EIAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ncccn21)c1ccccc1 ZINC000008845481 211010532 /nfs/dbraw/zinc/01/05/32/211010532.db2.gz AZUMXWSPPQNTHG-UHFFFAOYSA-N 0 0 348.793 4.302 50 0 EIAARN Cc1cc(S[C@H](C)C(=O)Nc2ccccc2F)nc(C(C)C)n1 ZINC000008878716 211013929 /nfs/dbraw/zinc/01/39/29/211013929.db2.gz QMQXBONFMIVOGQ-GFCCVEGCSA-N 0 0 333.432 4.167 50 0 EIAARN Cc1ccc(-c2cc(NC(=O)COc3ccc(Cl)cc3)on2)cc1 ZINC000008869074 211013522 /nfs/dbraw/zinc/01/35/22/211013522.db2.gz YPJJQOCSDYDNDM-UHFFFAOYSA-N 0 0 342.782 4.321 50 0 EIAARN CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000008769817 211003170 /nfs/dbraw/zinc/00/31/70/211003170.db2.gz JDLXZYJTCBRPPH-UHFFFAOYSA-N 0 0 337.448 4.370 50 0 EIAARN C[S@@](=O)Cc1ccc(Cl)c(NCc2ccccc2Cl)c1 ZINC000095398167 218330976 /nfs/dbraw/zinc/33/09/76/218330976.db2.gz KULNQLNKXHWQCK-FQEVSTJZSA-N 0 0 328.264 4.484 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1C ZINC000008762851 211002768 /nfs/dbraw/zinc/00/27/68/211002768.db2.gz CLORUGJOLIYFBK-UHFFFAOYSA-N 0 0 328.412 4.090 50 0 EIAARN c1sc(C2CC2)nc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000095396763 218328758 /nfs/dbraw/zinc/32/87/58/218328758.db2.gz XDQQYSVFBZKDJR-GOSISDBHSA-N 0 0 342.464 4.033 50 0 EIAARN CCCCC(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 ZINC000008761809 211001270 /nfs/dbraw/zinc/00/12/70/211001270.db2.gz LPUNSGXNMPWVTJ-UHFFFAOYSA-N 0 0 325.334 4.328 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc3ccccc3o1)O[C@@H](C)C2 ZINC000008756123 211000505 /nfs/dbraw/zinc/00/05/05/211000505.db2.gz BUCMECQJQOKMLP-LBPRGKRZSA-N 0 0 337.375 4.407 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)N1CCc2[nH]c3ccccc3c2C1 ZINC000008762389 211000414 /nfs/dbraw/zinc/00/04/14/211000414.db2.gz OJGLRZYZPMTZBA-UHFFFAOYSA-N 0 0 343.430 4.167 50 0 biogenic EIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccccc1 ZINC000008762032 211000426 /nfs/dbraw/zinc/00/04/26/211000426.db2.gz VXOOJYJSISOGKL-UHFFFAOYSA-N 0 0 340.810 4.244 50 0 EIAARN Cc1nccn1Cc1cccc(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000095398604 218331481 /nfs/dbraw/zinc/33/14/81/218331481.db2.gz TVYJBVSUEMBXJS-SFHVURJKSA-N 0 0 349.459 4.068 50 0 EIAARN Cc1cnc([C@H](Nc2cc(C)nc(-c3ccccn3)n2)C2CC2)s1 ZINC000095402786 218337022 /nfs/dbraw/zinc/33/70/22/218337022.db2.gz BNDZATWDYUORRS-MRXNPFEDSA-N 0 0 337.452 4.175 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)N[C@H](CC)c2ccncc2)cc1C ZINC000095403820 218338934 /nfs/dbraw/zinc/33/89/34/218338934.db2.gz ZGCFETLJALZGDV-MRXNPFEDSA-N 0 0 340.427 4.011 50 0 EIAARN O=C(/C=C/c1ccc2ccccc2n1)NC12CC3CC(CC(C3)C1)C2 ZINC000008720486 210991032 /nfs/dbraw/zinc/99/10/32/210991032.db2.gz GEGWZGANACNMBI-BQYQJAHWSA-N 0 0 332.447 4.333 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000008703868 210982787 /nfs/dbraw/zinc/98/27/87/210982787.db2.gz KKXCSRFSTOPGLV-LLVKDONJSA-N 0 0 330.384 4.150 50 0 EIAARN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1c(Cl)cccc1Cl ZINC000095417743 218356601 /nfs/dbraw/zinc/35/66/01/218356601.db2.gz RADUDUOUFXCBLR-IAQYHMDHSA-N 0 0 338.234 4.235 50 0 EIAARN Cc1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc(C)n1 ZINC000095418980 218358843 /nfs/dbraw/zinc/35/88/43/218358843.db2.gz FMWGKRAJDPOFKD-UHFFFAOYSA-N 0 0 339.370 4.064 50 0 EIAARN Fc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)c1ccccn1)CCO2 ZINC000095419303 218359337 /nfs/dbraw/zinc/35/93/37/218359337.db2.gz FDZWKGNCVPKWNJ-NQIIRXRSSA-N 0 0 334.394 4.424 50 0 EIAARN CCc1nc([C@@H](C)Sc2nnc(N)s2)oc1-c1ccccc1 ZINC000095416404 218354699 /nfs/dbraw/zinc/35/46/99/218354699.db2.gz NDSSLHICICXSHQ-SECBINFHSA-N 0 0 332.454 4.191 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cccc(Cl)c1 ZINC000008553782 210964725 /nfs/dbraw/zinc/96/47/25/210964725.db2.gz VGTBUMZYVQMLDS-UHFFFAOYSA-N 0 0 343.839 4.461 50 0 EIAARN CCn1c(SCc2nc3ccccc3o2)nnc1-c1cccs1 ZINC000008536610 210963876 /nfs/dbraw/zinc/96/38/76/210963876.db2.gz FJFOFYDVJXWQDG-UHFFFAOYSA-N 0 0 342.449 4.460 50 0 EIAARN Cc1nnc([C@H](N[C@H]2CCSc3ccccc32)c2ccccc2)[nH]1 ZINC000095421724 218363882 /nfs/dbraw/zinc/36/38/82/218363882.db2.gz YAKJTIOGGFUHPK-FUHWJXTLSA-N 0 0 336.464 4.029 50 0 EIAARN Cc1cnc([C@H](C)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000095423626 218366024 /nfs/dbraw/zinc/36/60/24/218366024.db2.gz NBFIHKAHJDGCBP-OLZOCXBDSA-N 0 0 344.484 4.147 50 0 EIAARN COc1cc(F)c(C(=O)Nc2c(C)cc(Cl)cc2C)cc1OC ZINC000095436421 218379126 /nfs/dbraw/zinc/37/91/26/218379126.db2.gz VRGVPNNDMQUAOR-UHFFFAOYSA-N 0 0 337.778 4.365 50 0 EIAARN COC(=O)Nc1cccc(NCc2nc3ccccc3n2C(C)C)c1 ZINC000095428567 218370884 /nfs/dbraw/zinc/37/08/84/218370884.db2.gz AUYWJSRHDOFZJZ-UHFFFAOYSA-N 0 0 338.411 4.408 50 0 EIAARN C[C@@H](C(=O)N(C)Cc1nc2ccccc2o1)c1ccc(Cl)s1 ZINC000095429518 218372536 /nfs/dbraw/zinc/37/25/36/218372536.db2.gz IJGSNSYCENTGCK-SNVBAGLBSA-N 0 0 334.828 4.305 50 0 EIAARN CCOc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3n2C)cc1 ZINC000008404017 210949920 /nfs/dbraw/zinc/94/99/20/210949920.db2.gz UQKKUDDCZHFOJA-ZDUSSCGKSA-N 0 0 340.448 4.336 50 0 EIAARN Cc1c(CN[C@@H](c2cccs2)c2ccc(Cl)cc2)cnn1C ZINC000095439974 218384004 /nfs/dbraw/zinc/38/40/04/218384004.db2.gz NAIHWNISPZYGTB-QGZVFWFLSA-N 0 0 331.872 4.323 50 0 EIAARN CC[C@H](NC(=O)c1c[nH]c2cccc(F)c12)c1ccc(OC)cc1 ZINC000095445219 218388780 /nfs/dbraw/zinc/38/87/80/218388780.db2.gz FIAATPKBGVCVGS-INIZCTEOSA-N 0 0 326.371 4.197 50 0 EIAARN COc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1 ZINC000008296899 210928789 /nfs/dbraw/zinc/92/87/89/210928789.db2.gz MVVMGQPBQSWUEZ-UHFFFAOYSA-N 0 0 336.416 4.005 50 0 EIAARN COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2ccco2)cc1 ZINC000008229632 210915485 /nfs/dbraw/zinc/91/54/85/210915485.db2.gz HTBWUOSJSNVBBX-JXOMPUQVSA-N 0 0 325.408 4.445 50 0 EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC2)cc1C ZINC000008231344 210915243 /nfs/dbraw/zinc/91/52/43/210915243.db2.gz YJHVOJHBSKLFBV-UHFFFAOYSA-N 0 0 331.419 4.002 50 0 EIAARN COCC1(N(C)C(=O)Nc2ccccc2Oc2cccc(C)c2)CC1 ZINC000095507661 218419936 /nfs/dbraw/zinc/41/99/36/218419936.db2.gz ZKTKWASJGSTBRV-UHFFFAOYSA-N 0 0 340.423 4.430 50 0 EIAARN CSc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000008049523 210887868 /nfs/dbraw/zinc/88/78/68/210887868.db2.gz OJABIPYSNZXDOW-UHFFFAOYSA-N 0 0 345.449 4.091 50 0 EIAARN O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)NC1CC1 ZINC000007982307 210874011 /nfs/dbraw/zinc/87/40/11/210874011.db2.gz SMXGUOZRWRLHGL-UHFFFAOYSA-N 0 0 340.473 4.360 50 0 EIAARN CCOC(=O)c1sc(Nc2cccc(Br)c2)nc1C ZINC000095929463 218450577 /nfs/dbraw/zinc/45/05/77/218450577.db2.gz SGZHARMWDHYQHN-UHFFFAOYSA-N 0 0 341.230 4.134 50 0 EIAARN Cc1c(O)ccc2c(CSc3ccc(F)c(F)c3)cc(=O)oc12 ZINC000007927592 210865684 /nfs/dbraw/zinc/86/56/84/210865684.db2.gz MQBNTNQTJLKNMS-UHFFFAOYSA-N 0 0 334.343 4.378 50 0 EIAARN CC(C)[C@@H](C)N(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C1CC1 ZINC000095957029 218464252 /nfs/dbraw/zinc/46/42/52/218464252.db2.gz FQCWLGBKMSDMSW-GFCCVEGCSA-N 0 0 331.847 4.379 50 0 EIAARN COc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1 ZINC000007844795 210854663 /nfs/dbraw/zinc/85/46/63/210854663.db2.gz GNUZRUIIHGYBCJ-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN O=[S@@](Cc1csc(CCc2ccccc2)n1)c1ccccc1F ZINC000095964510 218469582 /nfs/dbraw/zinc/46/95/82/218469582.db2.gz IQBSDCXILOPJBT-HSZRJFAPSA-N 0 0 345.464 4.375 50 0 EIAARN C[C@@H](c1c(F)cccc1F)[S@@](=O)Cc1ccn(C2CCCC2)n1 ZINC000095966841 218471800 /nfs/dbraw/zinc/47/18/00/218471800.db2.gz MJIBKWVUFYBCES-DAOPMYJZSA-N 0 0 338.423 4.286 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000007814067 210852381 /nfs/dbraw/zinc/85/23/81/210852381.db2.gz QIELKCJJAIYDRZ-LRDDRELGSA-N 0 0 347.867 4.461 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1Cl ZINC000007750042 210842405 /nfs/dbraw/zinc/84/24/05/210842405.db2.gz MLRZSLSATXLQOM-GOSISDBHSA-N 0 0 340.810 4.243 50 0 EIAARN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C(F)F)c1 ZINC000095984763 218490628 /nfs/dbraw/zinc/49/06/28/218490628.db2.gz ZHRNAWSGLIIWTR-CQSZACIVSA-N 0 0 334.370 4.333 50 0 EIAARN Cc1cccc2sc(NC(=O)c3ccccc3OC(F)F)nc21 ZINC000007725104 210838284 /nfs/dbraw/zinc/83/82/84/210838284.db2.gz GKGCNUKDRKNXMS-UHFFFAOYSA-N 0 0 334.347 4.458 50 0 EIAARN Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2cccc(F)c12 ZINC000007666829 210827360 /nfs/dbraw/zinc/82/73/60/210827360.db2.gz ZTSOBAWLELLRNT-UHFFFAOYSA-N 0 0 329.352 4.330 50 0 EIAARN FC(F)(F)c1cccc(-c2nnn(C/C=C/c3ccccc3)n2)c1 ZINC000007583611 210816095 /nfs/dbraw/zinc/81/60/95/210816095.db2.gz ALALMSZWPASRMZ-VMPITWQZSA-N 0 0 330.313 4.072 50 0 EIAARN Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2C)cc1 ZINC000007390718 210792747 /nfs/dbraw/zinc/79/27/47/210792747.db2.gz GCMZIJLQNPQMBB-UHFFFAOYSA-N 0 0 337.448 4.220 50 0 EIAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000007402842 210794902 /nfs/dbraw/zinc/79/49/02/210794902.db2.gz NFUDAQBEHQASOQ-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN COc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 ZINC000007402135 210794812 /nfs/dbraw/zinc/79/48/12/210794812.db2.gz YHBXPGKTAFQJMP-UHFFFAOYSA-N 0 0 330.434 4.441 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)c3c(F)cccc3F)s2)cc1 ZINC000007319045 210783839 /nfs/dbraw/zinc/78/38/39/210783839.db2.gz MXTZNVASBVUJQP-UHFFFAOYSA-N 0 0 331.347 4.044 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 ZINC000007242323 210772359 /nfs/dbraw/zinc/77/23/59/210772359.db2.gz QBAXZHWKLZPWMF-GFCCVEGCSA-N 0 0 344.842 4.276 50 0 EIAARN CCc1ccccc1NC(=O)c1oc2c(c1C)-c1nn(CC)cc1CC2 ZINC000006871835 210732423 /nfs/dbraw/zinc/73/24/23/210732423.db2.gz HEZJTSNEUDWCCK-UHFFFAOYSA-N 0 0 349.434 4.385 50 0 EIAARN O=C(N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1ccncc1 ZINC000096116996 218610552 /nfs/dbraw/zinc/61/05/52/218610552.db2.gz VHKCHSCMOGBBIS-MRXNPFEDSA-N 0 0 325.799 4.024 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2cccnc2)cs1 ZINC000006830908 210724463 /nfs/dbraw/zinc/72/44/63/210724463.db2.gz FRJVILSNWPWGAH-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN CCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccc(C)o1 ZINC000006747409 210699624 /nfs/dbraw/zinc/69/96/24/210699624.db2.gz NLVWWVOQMBSTDC-UHFFFAOYSA-N 0 0 339.391 4.422 50 0 EIAARN Cc1cc(C)n(-c2nc3cc(C)ccc3nc2Nc2ccccc2)n1 ZINC000006786017 210711730 /nfs/dbraw/zinc/71/17/30/210711730.db2.gz KPCOCVLSBFEJKJ-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN Cc1ccc(SCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000006738851 210696484 /nfs/dbraw/zinc/69/64/84/210696484.db2.gz BZPAJYGOZGFVRQ-UHFFFAOYSA-N 0 0 342.489 4.236 50 0 EIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C)c(C)c1 ZINC000006730171 210692865 /nfs/dbraw/zinc/69/28/65/210692865.db2.gz PUYJEXASKPBGLP-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN CC1(C)CC(=O)Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 ZINC000096183010 218645437 /nfs/dbraw/zinc/64/54/37/218645437.db2.gz MFRVWDHABWTSPI-UHFFFAOYSA-N 0 0 342.826 4.141 50 0 EIAARN O=C(Nc1ccccc1)c1nccnc1-c1nc2ccccc2s1 ZINC000006662369 210674545 /nfs/dbraw/zinc/67/45/45/210674545.db2.gz HZVBKBIKUDPMHL-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN Cc1cc(C)n2nc(S[C@@H](C)c3nc4ccccc4s3)nc2n1 ZINC000006589758 210660120 /nfs/dbraw/zinc/66/01/20/210660120.db2.gz UKEVWSDOXZPGFV-NSHDSACASA-N 0 0 341.465 4.204 50 0 EIAARN CCCCc1ccc(NC(=O)CSc2nc3cccnc3[nH]2)cc1 ZINC000006564526 210656274 /nfs/dbraw/zinc/65/62/74/210656274.db2.gz DGRURXFSDDXAJF-UHFFFAOYSA-N 0 0 340.452 4.031 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2ncsc2c1 ZINC000006510593 210644656 /nfs/dbraw/zinc/64/46/56/210644656.db2.gz FODQFQFIPMBXDH-UHFFFAOYSA-N 0 0 338.310 4.447 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C)c(F)c3)nc2c1 ZINC000006506583 210643709 /nfs/dbraw/zinc/64/37/09/210643709.db2.gz NSDLTOVFWOGOCA-UHFFFAOYSA-N 0 0 329.400 4.050 50 0 EIAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 ZINC000006318752 210616880 /nfs/dbraw/zinc/61/68/80/210616880.db2.gz CQIHIHNQTOXAEK-UHFFFAOYSA-N 0 0 342.464 4.067 50 0 EIAARN CCSc1ccc(NC(=O)N(CC)[C@@H](C)c2cccnc2)cn1 ZINC000096406977 218758359 /nfs/dbraw/zinc/75/83/59/218758359.db2.gz IKXZBMXKZVCMNS-ZDUSSCGKSA-N 0 0 330.457 4.204 50 0 EIAARN Brc1ccc2onc(-c3cnn(-c4ccccc4)c3)c2c1 ZINC000005948189 210565556 /nfs/dbraw/zinc/56/55/56/210565556.db2.gz GBZPVFAGLCPXKH-UHFFFAOYSA-N 0 0 340.180 4.443 50 0 EIAARN CN(C)c1cccc([C@H]2CCCN2C(=O)CCc2ccsc2)c1 ZINC000096410182 218764356 /nfs/dbraw/zinc/76/43/56/218764356.db2.gz AZHNLLRHVXMADI-GOSISDBHSA-N 0 0 328.481 4.110 50 0 EIAARN CS[C@@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000096411735 218766848 /nfs/dbraw/zinc/76/68/48/218766848.db2.gz XAPCLFDEDXQCHI-NHYWBVRUSA-N 0 0 349.887 4.145 50 0 EIAARN CS[C@H](C)c1cccc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)c1 ZINC000096415978 218776847 /nfs/dbraw/zinc/77/68/47/218776847.db2.gz LHYLBQKHYMTETJ-SMDDNHRTSA-N 0 0 347.484 4.468 50 0 EIAARN CC[C@@](C)(NC(=O)Nc1cccc(OC(F)F)c1)c1nccs1 ZINC000096417961 218780071 /nfs/dbraw/zinc/78/00/71/218780071.db2.gz RUIDIODKHDXKTL-OAHLLOKOSA-N 0 0 341.383 4.191 50 0 EIAARN Cc1csc([C@H](NC(=O)Nc2cccc3[nH]ccc32)C2CC2)n1 ZINC000096434452 218811735 /nfs/dbraw/zinc/81/17/35/218811735.db2.gz WAUMXPYBQPCCHZ-OAHLLOKOSA-N 0 0 326.425 4.206 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000005610246 210500783 /nfs/dbraw/zinc/50/07/83/210500783.db2.gz XWOCZZAKORLHQF-UHFFFAOYSA-N 0 0 338.190 4.341 50 0 EIAARN Cc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2s1 ZINC000005578236 210494025 /nfs/dbraw/zinc/49/40/25/210494025.db2.gz ZQPQSELAGMNYPP-SNVBAGLBSA-N 0 0 330.384 4.150 50 0 EIAARN COc1ccc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC ZINC000005577699 210492843 /nfs/dbraw/zinc/49/28/43/210492843.db2.gz RDDOTQJVDAQMHZ-UHFFFAOYSA-N 0 0 327.424 4.183 50 0 EIAARN CCOc1ccccc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005559740 210489132 /nfs/dbraw/zinc/48/91/32/210489132.db2.gz MRIWJELEZRAWAB-LFPRZYRFSA-N 0 0 327.468 4.420 50 0 EIAARN Cn1cnnc1-c1cccc(NCc2cccc(-c3ccncc3)c2)c1 ZINC000096482743 218858462 /nfs/dbraw/zinc/85/84/62/218858462.db2.gz REEPEVSTUUPEKE-UHFFFAOYSA-N 0 0 341.418 4.156 50 0 EIAARN COCc1c(C(=O)NCc2ccc(F)cc2)sc2cccc(F)c21 ZINC000005405056 210457297 /nfs/dbraw/zinc/45/72/97/210457297.db2.gz SAXIALLYPPAWMG-UHFFFAOYSA-N 0 0 347.386 4.256 50 0 EIAARN O=C1C[C@@H](c2ccccc2)Cc2c1cnn2-c1nc2ccccc2s1 ZINC000005486689 210472359 /nfs/dbraw/zinc/47/23/59/210472359.db2.gz MDBVMARSIGFDTH-AWEZNQCLSA-N 0 0 345.427 4.395 50 0 EIAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)c1ccc(Cl)cc1 ZINC000005454738 210468210 /nfs/dbraw/zinc/46/82/10/210468210.db2.gz OGVGEZXCNMDZFC-UHFFFAOYSA-N 0 0 338.219 4.240 50 0 EIAARN Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)c(O)c1 ZINC000005343496 210444482 /nfs/dbraw/zinc/44/44/82/210444482.db2.gz WBWPSAMODQAFAU-UHFFFAOYSA-N 0 0 335.407 4.268 50 0 EIAARN Cc1ccc(/C=C\C(=O)N(C)[C@H](C)c2nc3ccccc3s2)o1 ZINC000096875845 218895661 /nfs/dbraw/zinc/89/56/61/218895661.db2.gz UNJANKSYOYKMAU-BSYHEUMXSA-N 0 0 326.421 4.431 50 0 EIAARN Cc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000005324688 210440056 /nfs/dbraw/zinc/44/00/56/210440056.db2.gz FDUHCXLTQNLILM-UHFFFAOYSA-N 0 0 346.356 4.324 50 0 EIAARN O=C(/C=C\c1cnn(-c2ccccc2)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000096931441 218901115 /nfs/dbraw/zinc/90/11/15/218901115.db2.gz ITCSDVODKBYDCW-FAXUNHAKSA-N 0 0 343.430 4.153 50 0 EIAARN O=C(O[C@@H]1CCCCC1=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000005303678 210435453 /nfs/dbraw/zinc/43/54/53/210435453.db2.gz CHNNSQCPEDHVKH-MRXNPFEDSA-N 0 0 326.417 4.182 50 0 EIAARN CCOc1ccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000005296187 210434338 /nfs/dbraw/zinc/43/43/38/210434338.db2.gz UCXHAAWCZILIDX-MRXNPFEDSA-N 0 0 349.430 4.495 50 0 EIAARN CCOc1cccc2sc(NC(=O)Cc3ccc(C)cc3C)nc21 ZINC000005267962 210430072 /nfs/dbraw/zinc/43/00/72/210430072.db2.gz ZSBPZDNGTJTEGE-UHFFFAOYSA-N 0 0 340.448 4.493 50 0 EIAARN COc1cc2nc(NC(=O)/C=C/c3cccs3)sc2cc1OC ZINC000005187348 210409121 /nfs/dbraw/zinc/40/91/21/210409121.db2.gz LWILDOWDRPLSBA-AATRIKPKSA-N 0 0 346.433 4.027 50 0 EIAARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000005146283 210399451 /nfs/dbraw/zinc/39/94/51/210399451.db2.gz WJHIDONDDWBDOD-UHFFFAOYSA-N 0 0 344.386 4.061 50 0 EIAARN Cc1cccc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)c1 ZINC000005146258 210399352 /nfs/dbraw/zinc/39/93/52/210399352.db2.gz VKKZPONAOCMNPP-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000005118981 210392646 /nfs/dbraw/zinc/39/26/46/210392646.db2.gz NNSLJFSFUSAETP-NSHDSACASA-N 0 0 336.794 4.317 50 0 EIAARN c1ccc(-c2nn(-c3ccccc3)nc2-c2nc3ccccc3[nH]2)cc1 ZINC000005072597 210384986 /nfs/dbraw/zinc/38/49/86/210384986.db2.gz ALUCCZGARADLTB-UHFFFAOYSA-N 0 0 337.386 4.478 50 0 EIAARN Cc1ccc(Cl)c(OCCCCn2cnc3ccccc3c2=O)c1 ZINC000005077770 210384997 /nfs/dbraw/zinc/38/49/97/210384997.db2.gz BBDCZJUZHMONEU-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN c1cn(-c2ccc(-c3ccc(SCc4ccccn4)nn3)cc2)cn1 ZINC000005143187 210397667 /nfs/dbraw/zinc/39/76/67/210397667.db2.gz JVRBNOPYPFJPET-UHFFFAOYSA-N 0 0 345.431 4.017 50 0 EIAARN CC[C@H](C)NC(=O)CSCc1nc(-c2cccc(C)c2)oc1C ZINC000005057641 210378125 /nfs/dbraw/zinc/37/81/25/210378125.db2.gz KFALNOZBVDPPQL-ZDUSSCGKSA-N 0 0 332.469 4.106 50 0 EIAARN Fc1ccccc1CSc1ccc2nnc(-c3cccs3)n2n1 ZINC000005055855 210377066 /nfs/dbraw/zinc/37/70/66/210377066.db2.gz SFINBZLBSFEPNG-UHFFFAOYSA-N 0 0 342.424 4.284 50 0 EIAARN O=C(CN1CCCCCC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000005064526 210380530 /nfs/dbraw/zinc/38/05/30/210380530.db2.gz OPMXNDCMXPYIIS-UHFFFAOYSA-N 0 0 335.662 4.461 50 0 EIAARN Nc1c(Cl)cc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1Cl ZINC000097117699 218964604 /nfs/dbraw/zinc/96/46/04/218964604.db2.gz PPCBVKLXMWFDEP-CYBMUJFWSA-N 0 0 328.243 4.372 50 0 EIAARN Cc1nc(Nc2nc3ccccc3s2)[nH]c(=O)c1Cc1ccccc1 ZINC000005027650 210367160 /nfs/dbraw/zinc/36/71/60/210367160.db2.gz IFRGPPGBDPAJAF-UHFFFAOYSA-N 0 0 348.431 4.022 50 0 EIAARN COc1ccc2oc([C@H](C)NCc3nnc(C(C)C)o3)c(C)c2c1 ZINC000097112145 218961065 /nfs/dbraw/zinc/96/10/65/218961065.db2.gz GEIOPLUSGPRZJY-LBPRGKRZSA-N 0 0 329.400 4.107 50 0 EIAARN c1csc(-c2nc(SCc3nc4ccccc4s3)n[nH]2)c1 ZINC000005017189 210362347 /nfs/dbraw/zinc/36/23/47/210362347.db2.gz BPNIPRQWCLCRCK-UHFFFAOYSA-N 0 0 330.463 4.435 50 0 EIAARN Cc1cc(O)c(NC(=O)COc2ccc(Cl)cc2Cl)cc1C ZINC000005008056 210359353 /nfs/dbraw/zinc/35/93/53/210359353.db2.gz UCFAEIMPJBXHJX-UHFFFAOYSA-N 0 0 340.206 4.333 50 0 EIAARN CC(C)C(=O)N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000005003582 210357806 /nfs/dbraw/zinc/35/78/06/210357806.db2.gz DEGKDJCCWJESHX-LLVKDONJSA-N 0 0 345.053 4.187 50 0 EIAARN Cc1cccc(Cn2cccc2C2=N[C@H](Cc3ccccc3)CO2)c1 ZINC000004970526 210344085 /nfs/dbraw/zinc/34/40/85/210344085.db2.gz TUQXVKNQRWFFEQ-HXUWFJFHSA-N 0 0 330.431 4.233 50 0 EIAARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCc3ccccc3)c2)n1 ZINC000000029055 208551313 /nfs/dbraw/zinc/55/13/13/208551313.db2.gz HOTRWKGNAZKOQN-UHFFFAOYSA-N 0 0 340.810 4.500 50 0 EIAARN C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003520957 208565593 /nfs/dbraw/zinc/56/55/93/208565593.db2.gz OZNLWGDVCCWQOD-GFCCVEGCSA-N 0 0 345.826 4.461 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000003533558 208567387 /nfs/dbraw/zinc/56/73/87/208567387.db2.gz RRGVRVVSLFWVBC-UHFFFAOYSA-N 0 0 327.409 4.284 50 0 EIAARN Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3cccc(O)c3)c12 ZINC000004934805 210328446 /nfs/dbraw/zinc/32/84/46/210328446.db2.gz YYPRZNYKFWTMSI-UHFFFAOYSA-N 0 0 334.379 4.139 50 0 EIAARN Cc1cccc(NC(=O)CSc2c3c(nc4ccccc42)CCC3)n1 ZINC000004923647 210326242 /nfs/dbraw/zinc/32/62/42/210326242.db2.gz GYTFRKULZXKGNQ-UHFFFAOYSA-N 0 0 349.459 4.158 50 0 EIAARN Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)nc(-c3ccccc3)c2c1 ZINC000004942355 210333740 /nfs/dbraw/zinc/33/37/40/210333740.db2.gz MPNKLIBDSNULSX-HOTGVXAUSA-N 0 0 333.435 4.219 50 0 EIAARN CC(C)Oc1cccc(C(=O)Nc2c3nsnc3ccc2Cl)c1 ZINC000004939684 210331009 /nfs/dbraw/zinc/33/10/09/210331009.db2.gz BCSRRJQCFDXKJI-UHFFFAOYSA-N 0 0 347.827 4.384 50 0 EIAARN CCc1cccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)c1 ZINC000004917951 210322877 /nfs/dbraw/zinc/32/28/77/210322877.db2.gz NJNNHTJRAAFKIX-FQEVSTJZSA-N 0 0 329.403 4.415 50 0 aggregator EIAARN Cc1cccc(N[C@H]2c3ccccc3C(=O)N2c2cccnc2)c1C ZINC000004918024 210322727 /nfs/dbraw/zinc/32/27/27/210322727.db2.gz JIRSFJQJQKKCFE-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN Cc1nc2ccccc2c(SCc2nc(-c3cccs3)no2)n1 ZINC000007044744 208573976 /nfs/dbraw/zinc/57/39/76/208573976.db2.gz WZOLFJTWOFBCOK-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000004902952 210317418 /nfs/dbraw/zinc/31/74/18/210317418.db2.gz AYCUOBHKGYYYNL-MRXNPFEDSA-N 0 0 333.435 4.194 50 0 EIAARN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cccc(C)c2)N1 ZINC000004903162 210317034 /nfs/dbraw/zinc/31/70/34/210317034.db2.gz TYDSLBPWXLEJAC-MRXNPFEDSA-N 0 0 342.361 4.028 50 0 EIAARN c1nc(COc2cccc(N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)c2)cs1 ZINC000097232287 219001501 /nfs/dbraw/zinc/00/15/01/219001501.db2.gz CREWLHZUAQZBJT-KURKYZTESA-N 0 0 342.464 4.092 50 0 EIAARN COc1cc(C)c(N[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1OC ZINC000007057706 208580616 /nfs/dbraw/zinc/58/06/16/208580616.db2.gz JMGQHFCFYIYXJH-CYBMUJFWSA-N 0 0 338.407 4.177 50 0 EIAARN Cc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2F)cc1 ZINC000004890706 210312873 /nfs/dbraw/zinc/31/28/73/210312873.db2.gz UYNGRYWHVDEISA-CYBMUJFWSA-N 0 0 341.411 4.078 50 0 EIAARN Fc1ccccc1/C=C/c1nn2c(Cc3ccccc3)nnc2s1 ZINC000004856984 210303292 /nfs/dbraw/zinc/30/32/92/210303292.db2.gz ZVPPOKSBPOGPOI-ZHACJKMWSA-N 0 0 336.395 4.086 50 0 EIAARN O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1cccs1 ZINC000004854594 210302317 /nfs/dbraw/zinc/30/23/17/210302317.db2.gz HPLWYRQUSGGVIE-HNNXBMFYSA-N 0 0 329.450 4.248 50 0 EIAARN C[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000004854282 210301831 /nfs/dbraw/zinc/30/18/31/210301831.db2.gz PGSOREYYNHHTPA-ZANVPECISA-N 0 0 349.253 4.400 50 0 EIAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2ccco2)o1 ZINC000004851540 210300709 /nfs/dbraw/zinc/30/07/09/210300709.db2.gz JBZNROJDQFGXJN-ZDUSSCGKSA-N 0 0 326.377 4.234 50 0 EIAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C)cc1 ZINC000004854145 210300440 /nfs/dbraw/zinc/30/04/40/210300440.db2.gz WANYYFHINYYQKR-GTNSWQLSSA-N 0 0 328.799 4.238 50 0 EIAARN CCCOc1cccc(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000097324296 219011629 /nfs/dbraw/zinc/01/16/29/219011629.db2.gz WCDOQQLKOJZBAC-HNNXBMFYSA-N 0 0 344.430 4.074 50 0 EIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(C)cc1 ZINC000004843324 210298277 /nfs/dbraw/zinc/29/82/77/210298277.db2.gz TVYLWFCMFLGRHY-UHFFFAOYSA-N 0 0 336.395 4.099 50 0 EIAARN COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Cl)c1O ZINC000004845507 210298058 /nfs/dbraw/zinc/29/80/58/210298058.db2.gz FROHAWCXRGHWRW-FNORWQNLSA-N 0 0 327.767 4.478 50 0 EIAARN c1ccc(COc2ccc(-c3nc(-c4ccncc4)no3)cc2)cc1 ZINC000004868765 210308214 /nfs/dbraw/zinc/30/82/14/210308214.db2.gz WFYYGBYEZXBHPN-UHFFFAOYSA-N 0 0 329.359 4.378 50 0 EIAARN COc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(C)c1 ZINC000004867759 210306146 /nfs/dbraw/zinc/30/61/46/210306146.db2.gz FSFHNYKCINMWOL-UHFFFAOYSA-N 0 0 339.313 4.040 50 0 EIAARN C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1nccs1 ZINC000004841896 210296116 /nfs/dbraw/zinc/29/61/16/210296116.db2.gz IPIBGGXEZRHJOX-JTQLQIEISA-N 0 0 347.490 4.386 50 0 EIAARN COc1cc(OC)c(NC(=O)c2ccccc2SC)cc1Cl ZINC000004834473 210292331 /nfs/dbraw/zinc/29/23/31/210292331.db2.gz WJWOXJNMMSMDMD-UHFFFAOYSA-N 0 0 337.828 4.331 50 0 EIAARN FC(F)(F)c1nc(N2CCOCC2)sc1-c1ccc(Cl)cc1 ZINC000004825445 210289651 /nfs/dbraw/zinc/28/96/51/210289651.db2.gz CHMLOZLFWRAGNK-UHFFFAOYSA-N 0 0 348.777 4.319 50 0 EIAARN CCc1nc(C)c(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)o1 ZINC000097394522 219021896 /nfs/dbraw/zinc/02/18/96/219021896.db2.gz HAKRUHTXHJHYHU-SECBINFHSA-N 0 0 326.318 4.055 50 0 EIAARN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000004813774 210284871 /nfs/dbraw/zinc/28/48/71/210284871.db2.gz HRWMFWOIFABCIF-UHFFFAOYSA-N 0 0 346.235 4.193 50 0 EIAARN Cn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 ZINC000004790915 210278691 /nfs/dbraw/zinc/27/86/91/210278691.db2.gz GKMJQDAZEKXJSU-UHFFFAOYSA-N 0 0 335.885 4.413 50 0 EIAARN COc1ccc(CCNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000004784126 210277429 /nfs/dbraw/zinc/27/74/29/210277429.db2.gz IYLDHEPIRVWXQA-UHFFFAOYSA-N 0 0 339.366 4.067 50 0 EIAARN S=c1sc(SCCCc2cn[nH]c2)nn1-c1ccccc1 ZINC000097593774 219037329 /nfs/dbraw/zinc/03/73/29/219037329.db2.gz OUIIPZROFWQFTJ-UHFFFAOYSA-N 0 0 334.495 4.111 50 0 EIAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)c1cccc(C)n1 ZINC000118623739 221162643 /nfs/dbraw/zinc/16/26/43/221162643.db2.gz OYZSFZQJGBEEAR-UHFFFAOYSA-N 0 0 341.411 4.238 50 0 EIAARN CCC(CC)NC(=O)N(Cc1ccc(OC)cc1OC)C1CCCC1 ZINC000426541409 257963933 /nfs/dbraw/zinc/96/39/33/257963933.db2.gz NUVBTXIWNOOOPS-UHFFFAOYSA-N 0 0 348.487 4.347 50 0 EIAARN CCCOc1cc(C)ccc1NC(=O)c1occc1Br ZINC000081033246 257972710 /nfs/dbraw/zinc/97/27/10/257972710.db2.gz IFZIVALYXAIMFK-UHFFFAOYSA-N 0 0 338.201 4.392 50 0 EIAARN O=C([C@H]1CCC(=O)c2ccccc21)N(CC(F)F)c1ccc(F)cc1 ZINC000284610874 257936283 /nfs/dbraw/zinc/93/62/83/257936283.db2.gz IJYGXOMMBBVAFC-INIZCTEOSA-N 0 0 347.336 4.184 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 ZINC000012652810 257975333 /nfs/dbraw/zinc/97/53/33/257975333.db2.gz CEAXSYZYUDMPEZ-UHFFFAOYSA-N 0 0 344.414 4.429 50 0 EIAARN COc1ccc(CNc2cc(NC(=O)N(C)C)ccc2C)cc1Cl ZINC000408515517 257983117 /nfs/dbraw/zinc/98/31/17/257983117.db2.gz NKBMFTUPNBNWMF-UHFFFAOYSA-N 0 0 347.846 4.363 50 0 EIAARN Cc1ccc(F)c(NC(=O)Cc2cccs2)c1Br ZINC000408515376 257983708 /nfs/dbraw/zinc/98/37/08/257983708.db2.gz KWTRAQRFDOFSLI-UHFFFAOYSA-N 0 0 328.206 4.139 50 0 EIAARN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000245329674 258000272 /nfs/dbraw/zinc/00/02/72/258000272.db2.gz VKTCWLZASBSZRF-GIYDNNGJSA-N 0 0 343.854 4.458 50 0 EIAARN CC(C)Cc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000000073979 258047176 /nfs/dbraw/zinc/04/71/76/258047176.db2.gz XDWWOQWEPIIWPQ-UHFFFAOYSA-N 0 0 330.240 4.296 50 0 EIAARN COCCN1C(=O)CC[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000334163289 258016011 /nfs/dbraw/zinc/01/60/11/258016011.db2.gz 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/nfs/dbraw/zinc/04/83/41/258048341.db2.gz KTYPZXSFCYQVEX-UHFFFAOYSA-N 0 0 339.420 4.026 50 0 EIAARN Nc1c(-c2ccc(Cl)cc2)cnc2c(-c3ccc(F)cc3)cnn21 ZINC000001386224 258049034 /nfs/dbraw/zinc/04/90/34/258049034.db2.gz RXGWHWRZNGEZOH-UHFFFAOYSA-N 0 0 338.773 4.438 50 0 EIAARN Cc1cc(C)cc(S(=O)(=O)c2c(C)cc(C)nc2OCC(C)C)c1 ZINC000001386118 258049051 /nfs/dbraw/zinc/04/90/51/258049051.db2.gz FZPHBDBMWGSIKE-UHFFFAOYSA-N 0 0 347.480 4.183 50 0 EIAARN CC(=O)Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001385869 258049074 /nfs/dbraw/zinc/04/90/74/258049074.db2.gz QRWCYMWXTKVUOI-UHFFFAOYSA-N 0 0 329.705 4.270 50 0 EIAARN C[C@@H](Nc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003353353 258050473 /nfs/dbraw/zinc/05/04/73/258050473.db2.gz AKRZATARIHEQQV-CYBMUJFWSA-N 0 0 334.375 4.008 50 0 EIAARN CC[C@@H]1CCc2sc(C(=O)Nc3nnc(C4CC4)s3)cc2C1 ZINC000006489390 258051935 /nfs/dbraw/zinc/05/19/35/258051935.db2.gz YXBVKVOAQRVLHN-SECBINFHSA-N 0 0 333.482 4.244 50 0 EIAARN CCc1nnc(CSc2nnc(Nc3ccc(C)c(C)c3)s2)o1 ZINC000009368081 258054118 /nfs/dbraw/zinc/05/41/18/258054118.db2.gz CRAOZHYKEJYYLS-UHFFFAOYSA-N 0 0 347.469 4.136 50 0 EIAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)c1ccccc1F ZINC000012534969 258054748 /nfs/dbraw/zinc/05/47/48/258054748.db2.gz QCGKGJULTIMKIZ-UHFFFAOYSA-N 0 0 337.379 4.454 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C)cc(C)c1 ZINC000012875167 258055610 /nfs/dbraw/zinc/05/56/10/258055610.db2.gz OYSANVZBDKFQJB-HXUWFJFHSA-N 0 0 334.419 4.206 50 0 EIAARN CC(C)c1ccc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000031817715 258058222 /nfs/dbraw/zinc/05/82/22/258058222.db2.gz GWEJTVPDOFCOBW-UHFFFAOYSA-N 0 0 341.432 4.116 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000032940401 258058864 /nfs/dbraw/zinc/05/88/64/258058864.db2.gz AVQHCPCJFUGTGJ-OAHLLOKOSA-N 0 0 348.471 4.254 50 0 EIAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Cl)c(F)c1 ZINC000040121702 258059863 /nfs/dbraw/zinc/05/98/63/258059863.db2.gz WWWLIVORFXEXIM-NHYWBVRUSA-N 0 0 328.815 4.196 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000065004530 258062404 /nfs/dbraw/zinc/06/24/04/258062404.db2.gz NIWJODDFLLSZGX-UHFFFAOYSA-N 0 0 338.455 4.360 50 0 EIAARN Cc1oc(-c2ccccc2)nc1Cc1noc(Cc2ccc(F)cc2)n1 ZINC000065247378 258062453 /nfs/dbraw/zinc/06/24/53/258062453.db2.gz COIKSHDQDLBQRE-UHFFFAOYSA-N 0 0 349.365 4.354 50 0 EIAARN CCCCNC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058053 258062514 /nfs/dbraw/zinc/06/25/14/258062514.db2.gz FQALXWFTFKLLCZ-UHFFFAOYSA-N 0 0 347.418 4.466 50 0 EIAARN Cc1ccccc1-c1nnc(CNc2ccc(F)cc2OC(F)F)o1 ZINC000095414888 258066909 /nfs/dbraw/zinc/06/69/09/258066909.db2.gz YKYBQNLEIKMOII-UHFFFAOYSA-N 0 0 349.312 4.398 50 0 EIAARN CC[C@H](NC(=O)CCSCc1ccccc1)c1cccc(C)n1 ZINC000299758829 258076334 /nfs/dbraw/zinc/07/63/34/258076334.db2.gz QGWDBOPJUNUPFG-KRWDZBQOSA-N 0 0 328.481 4.281 50 0 EIAARN CCCO[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000299762548 258079207 /nfs/dbraw/zinc/07/92/07/258079207.db2.gz XDASEXCWFKSZNO-CYBMUJFWSA-N 0 0 347.846 4.311 50 0 EIAARN CC[C@@H](C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1 ZINC000000206253 209484651 /nfs/dbraw/zinc/48/46/51/209484651.db2.gz ICKUJBPPTAGAHH-SNVBAGLBSA-N 0 0 349.228 4.316 50 0 EIAARN Fc1ccccc1N1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000055543816 132196221 /nfs/dbraw/zinc/19/62/21/132196221.db2.gz BIKHEBKWMJZFPB-UHFFFAOYSA-N 0 0 339.241 4.455 50 0 EIAARN Fc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000055543993 132196236 /nfs/dbraw/zinc/19/62/36/132196236.db2.gz YDTDJVLCFAPVPV-UHFFFAOYSA-N 0 0 338.348 4.167 50 0 EIAARN Cc1cccc(CN2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@@H]2C)c1 ZINC000035798951 132391072 /nfs/dbraw/zinc/39/10/72/132391072.db2.gz DIRZHZUOFCLODW-INIZCTEOSA-N 0 0 342.870 4.194 50 0 EIAARN COc1ccc(CC(=O)N2CCSc3ccc(Cl)cc32)cc1 ZINC000040071175 132398411 /nfs/dbraw/zinc/39/84/11/132398411.db2.gz QFJKZJCUVIDZML-UHFFFAOYSA-N 0 0 333.840 4.030 50 0 EIAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(Cl)c1 ZINC000064658155 132806571 /nfs/dbraw/zinc/80/65/71/132806571.db2.gz QIAWFLZXDXJLJR-UHFFFAOYSA-N 0 0 333.844 4.496 50 0 EIAARN CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCCCC1 ZINC000000441339 135650700 /nfs/dbraw/zinc/65/07/00/135650700.db2.gz PNKGZSUSUOQDNL-UHFFFAOYSA-N 0 0 327.453 4.103 50 0 EIAARN Cc1cccc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1C ZINC000000473371 135651109 /nfs/dbraw/zinc/65/11/09/135651109.db2.gz PCACQHJEESSEMD-UHFFFAOYSA-N 0 0 336.479 4.389 50 0 EIAARN O=C(Nc1cccc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000000493998 135651327 /nfs/dbraw/zinc/65/13/27/135651327.db2.gz QECIJZFCOJQWJS-UHFFFAOYSA-N 0 0 331.419 4.194 50 0 EIAARN CCC1(CC)Nc2ccccc2C(=O)N1c1ccc(NC(C)=O)cc1 ZINC000000506704 135651613 /nfs/dbraw/zinc/65/16/13/135651613.db2.gz RSYOALNNZCKYHE-UHFFFAOYSA-N 0 0 337.423 4.234 50 0 EIAARN Cc1nn2c(nc3c(c2N2CCC(C)CC2)CCC3)c1-c1ccccc1 ZINC000002440962 135657587 /nfs/dbraw/zinc/65/75/87/135657587.db2.gz FFWPQDQBTUEQEX-UHFFFAOYSA-N 0 0 346.478 4.430 50 0 EIAARN COc1ccc(NC(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)cc1 ZINC000006842880 135677799 /nfs/dbraw/zinc/67/77/99/135677799.db2.gz 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CC(=O)Nc1cccc(Oc2nc(C)nc3sc4c(c32)CCC4)c1 ZINC000000107340 563228418 /nfs/dbraw/zinc/22/84/18/563228418.db2.gz PGCVMNORJBZXKH-UHFFFAOYSA-N 0 0 339.420 4.239 50 0 EIAARN CCc1cccc(CC)c1NC(=S)Nc1ccc2c(c1)OCO2 ZINC000000109241 563229237 /nfs/dbraw/zinc/22/92/37/563229237.db2.gz WULKXQPBXSPGCZ-UHFFFAOYSA-N 0 0 328.437 4.349 50 0 EIAARN Cc1ccc(NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)cc1 ZINC000000113649 563230662 /nfs/dbraw/zinc/23/06/62/563230662.db2.gz QYILGAZPLPSOJH-UHFFFAOYSA-N 0 0 336.416 4.306 50 0 EIAARN COc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 ZINC000000116556 563232119 /nfs/dbraw/zinc/23/21/19/563232119.db2.gz PSNRACTVUUDUCH-UHFFFAOYSA-N 0 0 333.387 4.380 50 0 EIAARN O=C(COc1ccc(-c2ccccc2)cc1)NCCc1ccccc1 ZINC000000116590 563232125 /nfs/dbraw/zinc/23/21/25/563232125.db2.gz VURFUWAPCRXEDF-UHFFFAOYSA-N 0 0 331.415 4.091 50 0 EIAARN COc1cccc([C@H]2CC(=O)Nc3c4ccccc4ccc32)c1OC ZINC000000124156 563235885 /nfs/dbraw/zinc/23/58/85/563235885.db2.gz YAHRTZMMRQBGOI-KRWDZBQOSA-N 0 0 333.387 4.331 50 0 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ZINC000000303473 563276753 /nfs/dbraw/zinc/27/67/53/563276753.db2.gz XWIYZKIKPBDAHC-UHFFFAOYSA-N 0 0 340.423 4.465 50 0 EIAARN COc1ccc(NC(=S)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000000307106 563278073 /nfs/dbraw/zinc/27/80/73/563278073.db2.gz BPYFRQJUNUDSGM-UHFFFAOYSA-N 0 0 336.844 4.475 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1 ZINC000000332426 563285006 /nfs/dbraw/zinc/28/50/06/563285006.db2.gz NNNHMOVWKHEDIH-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccco1 ZINC000000341877 563286580 /nfs/dbraw/zinc/28/65/80/563286580.db2.gz UCINZOVGBCQRKF-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1 ZINC000000342078 563286640 /nfs/dbraw/zinc/28/66/40/563286640.db2.gz OHHYOMNJCRLMOB-UHFFFAOYSA-N 0 0 340.448 4.360 50 0 EIAARN CC1(C)C(=O)[C@@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]1C2 ZINC000000352933 563290152 /nfs/dbraw/zinc/29/01/52/563290152.db2.gz IAOSELDKXQRXRF-JDNHERCYSA-N 0 0 326.223 4.327 50 0 EIAARN CCN(C(=O)COc1ccc(Br)c(C)c1)c1ccccc1 ZINC000000358960 563291891 /nfs/dbraw/zinc/29/18/91/563291891.db2.gz DVQZASIUCNDWTP-UHFFFAOYSA-N 0 0 348.240 4.189 50 0 EIAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2)c1 ZINC000000364517 563295547 /nfs/dbraw/zinc/29/55/47/563295547.db2.gz COUBYSPIHTUSDT-UHFFFAOYSA-N 0 0 340.423 4.322 50 0 EIAARN Cc1ccc2nc(NC(=O)COc3cc(C)ccc3C)sc2c1 ZINC000000371533 563297741 /nfs/dbraw/zinc/29/77/41/563297741.db2.gz RZYULTNTQPJZQT-UHFFFAOYSA-N 0 0 326.421 4.239 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)COc1c(C)cc(C)cc1C ZINC000000377895 563299421 /nfs/dbraw/zinc/29/94/21/563299421.db2.gz FIYJTCMDGVCPTA-UHFFFAOYSA-N 0 0 333.815 4.291 50 0 EIAARN Clc1ccc(OCc2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000000384952 563301536 /nfs/dbraw/zinc/30/15/36/563301536.db2.gz DMWFHXDYHXSYLG-UHFFFAOYSA-N 0 0 342.811 4.085 50 0 EIAARN CCOc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1Cl ZINC000000384727 563301581 /nfs/dbraw/zinc/30/15/81/563301581.db2.gz NWUSWVQVPQQPCB-UHFFFAOYSA-N 0 0 339.844 4.102 50 0 EIAARN O=c1cnn(Cc2ccccc2)c(Cl)c1SCc1ccccc1 ZINC000000385724 563302593 /nfs/dbraw/zinc/30/25/93/563302593.db2.gz JGFTUXFMQVDOIY-UHFFFAOYSA-N 0 0 342.851 4.237 50 0 EIAARN O=C(Nc1ccc(Cl)cc1Cl)OCc1ccc2c(c1)OCO2 ZINC000000396218 563304899 /nfs/dbraw/zinc/30/48/99/563304899.db2.gz AQQSLTBESBZRDU-UHFFFAOYSA-N 0 0 340.162 4.471 50 0 EIAARN COc1ccc2nc(NC(=O)c3cc4c(s3)CCCC4)sc2c1 ZINC000000401040 563305904 /nfs/dbraw/zinc/30/59/04/563305904.db2.gz YINIWXOQZYFNHQ-UHFFFAOYSA-N 0 0 344.461 4.498 50 0 EIAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1 ZINC000000421887 563309091 /nfs/dbraw/zinc/30/90/91/563309091.db2.gz ZJXROSJPRFWNRE-UHFFFAOYSA-N 0 0 340.404 4.029 50 0 EIAARN COc1cccc(-c2cc(C(=O)Nc3ccccc3SC)no2)c1 ZINC000000423697 563309402 /nfs/dbraw/zinc/30/94/02/563309402.db2.gz JCZCHJNFGCTGQF-UHFFFAOYSA-N 0 0 340.404 4.324 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000000442164 563314531 /nfs/dbraw/zinc/31/45/31/563314531.db2.gz OXTSDYLFAQJSSL-NYYWCZLTSA-N 0 0 337.297 4.246 50 0 EIAARN COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000000442797 563314777 /nfs/dbraw/zinc/31/47/77/563314777.db2.gz URQFSFUSXWWPTM-UHFFFAOYSA-N 0 0 342.192 4.451 50 0 EIAARN CCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1OC ZINC000000444609 563316375 /nfs/dbraw/zinc/31/63/75/563316375.db2.gz PYZYJMONWSSPIF-QIYIKKHUSA-N 0 0 349.386 4.104 50 0 EIAARN Cc1ccc(OCC(=O)Nc2cccc(Br)c2)c(C)c1 ZINC000000445038 563316705 /nfs/dbraw/zinc/31/67/05/563316705.db2.gz HKTAJJJVZFXCHA-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000000449630 563318671 /nfs/dbraw/zinc/31/86/71/563318671.db2.gz WUIXLKOYYYMQDQ-UHFFFAOYSA-N 0 0 330.815 4.121 50 0 EIAARN CCc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000000449535 563318675 /nfs/dbraw/zinc/31/86/75/563318675.db2.gz SAOYZMLPMIOSQR-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)c1 ZINC000000450340 563319287 /nfs/dbraw/zinc/31/92/87/563319287.db2.gz NDTDVMWWDPLVPD-UHFFFAOYSA-N 0 0 348.855 4.254 50 0 EIAARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccncc4)c3)nc2c1 ZINC000000451271 563320328 /nfs/dbraw/zinc/32/03/28/563320328.db2.gz UYROPTDDZWWIDQ-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CC(=O)c1c(C)n(Cc2ccccc2)c(=S)nc1N1CCCCC1 ZINC000000451359 563320338 /nfs/dbraw/zinc/32/03/38/563320338.db2.gz YXACLGLKHLBGDU-UHFFFAOYSA-N 0 0 341.480 4.162 50 0 EIAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)C1 ZINC000000452288 563321100 /nfs/dbraw/zinc/32/11/00/563321100.db2.gz UUPIJNVUGBXMOQ-MRVPVSSYSA-N 0 0 342.675 4.067 50 0 EIAARN COc1ccc(C(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)cc1 ZINC000000453369 563322006 /nfs/dbraw/zinc/32/20/06/563322006.db2.gz YTLJHKXSFWBNEN-LJQANCHMSA-N 0 0 336.343 4.069 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c(C)c1 ZINC000000453667 563322284 /nfs/dbraw/zinc/32/22/84/563322284.db2.gz ZCAUUNCMWIIENO-UHFFFAOYSA-N 0 0 342.464 4.217 50 0 EIAARN CC(C)COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000000454005 563322671 /nfs/dbraw/zinc/32/26/71/563322671.db2.gz USTWQZIXLLZCKU-QGZVFWFLSA-N 0 0 325.452 4.473 50 0 EIAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2F)c1 ZINC000000456026 563323928 /nfs/dbraw/zinc/32/39/28/563323928.db2.gz PCZDEHRLCIPLFJ-NSHDSACASA-N 0 0 346.427 4.172 50 0 EIAARN COc1ccc(-c2noc(-c3ccc(C)cc3Cl)n2)cc1OC ZINC000000458172 563325249 /nfs/dbraw/zinc/32/52/49/563325249.db2.gz VLOWCGWDFQVFIX-UHFFFAOYSA-N 0 0 330.771 4.383 50 0 EIAARN COC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000000458998 563325444 /nfs/dbraw/zinc/32/54/44/563325444.db2.gz HHOWNBGUOWCTCQ-UHFFFAOYSA-N 0 0 341.190 4.368 50 0 EIAARN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000000459008 563325447 /nfs/dbraw/zinc/32/54/47/563325447.db2.gz OSPGLDHZBFALNV-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Br)cc1C ZINC000000464279 563327956 /nfs/dbraw/zinc/32/79/56/563327956.db2.gz YFWJXEWWJLBUHS-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN CC(=O)Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1 ZINC000000467706 563329438 /nfs/dbraw/zinc/32/94/38/563329438.db2.gz GJTPHKXAZAJWJY-UHFFFAOYSA-N 0 0 334.253 4.096 50 0 EIAARN OCc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000000470333 563330862 /nfs/dbraw/zinc/33/08/62/563330862.db2.gz WGRDRAVROVOOTI-UHFFFAOYSA-N 0 0 345.595 4.313 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1Cl ZINC000000472271 563332164 /nfs/dbraw/zinc/33/21/64/563332164.db2.gz WVPCOUOKACFGGJ-JTQLQIEISA-N 0 0 340.206 4.408 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000000476058 563334161 /nfs/dbraw/zinc/33/41/61/563334161.db2.gz GRZWXAFIZZTGCZ-GQCTYLIASA-N 0 0 332.331 4.333 50 0 EIAARN CCn1c(C)c(C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21 ZINC000000477038 563335032 /nfs/dbraw/zinc/33/50/32/563335032.db2.gz BOAJDGRKACVGDN-UHFFFAOYSA-N 0 0 338.407 4.239 50 0 EIAARN O=C(/C=C/c1cccc2ccccc12)NC(=S)Nc1ccccc1O ZINC000000502928 563339061 /nfs/dbraw/zinc/33/90/61/563339061.db2.gz JEUZTUAJWYRKQF-OUKQBFOZSA-N 0 0 348.427 4.072 50 0 EIAARN COc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000514291 563339983 /nfs/dbraw/zinc/33/99/83/563339983.db2.gz JBWRDDKFZZWUCZ-SNVBAGLBSA-N 0 0 340.206 4.408 50 0 EIAARN Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)c2ncccc2C)cc1 ZINC000000529016 563342018 /nfs/dbraw/zinc/34/20/18/563342018.db2.gz FZCPCDJAQDAJJU-UHFFFAOYSA-N 0 0 344.414 4.494 50 0 EIAARN Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1 ZINC000000530985 563342488 /nfs/dbraw/zinc/34/24/88/563342488.db2.gz YCFOBHCDSXKNFP-UHFFFAOYSA-N 0 0 338.480 4.467 50 0 EIAARN COc1ccccc1NC(=S)N1CCC(Cc2ccccc2)CC1 ZINC000000541811 563344237 /nfs/dbraw/zinc/34/42/37/563344237.db2.gz OAPHKQPQWBAYMP-UHFFFAOYSA-N 0 0 340.492 4.347 50 0 EIAARN CCCC(=O)Nc1sc2c(c1C(=O)OCC)CCc1ccccc1-2 ZINC000000548566 563344488 /nfs/dbraw/zinc/34/44/88/563344488.db2.gz RRHONQXKXQMXQM-UHFFFAOYSA-N 0 0 343.448 4.429 50 0 EIAARN COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)C(C)C ZINC000000556318 563345487 /nfs/dbraw/zinc/34/54/87/563345487.db2.gz GKGDBLBELVVVOJ-UHFFFAOYSA-N 0 0 346.814 4.195 50 0 EIAARN COc1cc2sc(NC(=O)c3ccccc3F)nc2cc1Cl ZINC000000557404 563345735 /nfs/dbraw/zinc/34/57/35/563345735.db2.gz LQPFTGAGCWTYQJ-UHFFFAOYSA-N 0 0 336.775 4.350 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1Cl ZINC000000557852 563346388 /nfs/dbraw/zinc/34/63/88/563346388.db2.gz QLESZPQFMVNLSK-UHFFFAOYSA-N 0 0 339.620 4.367 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)c(Cl)c1 ZINC000000561762 563347426 /nfs/dbraw/zinc/34/74/26/563347426.db2.gz TWJAWEPHGSCJJZ-UHFFFAOYSA-N 0 0 339.620 4.367 50 0 EIAARN O=C(OCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000000572011 563350111 /nfs/dbraw/zinc/35/01/11/563350111.db2.gz WWBPRUVGSGWEJG-UHFFFAOYSA-N 0 0 325.589 4.460 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000000577745 563351033 /nfs/dbraw/zinc/35/10/33/563351033.db2.gz XHYGMNLDHYAZRM-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(C)c1 ZINC000000588451 563352146 /nfs/dbraw/zinc/35/21/46/563352146.db2.gz WZEFRFRPNZIUDN-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN O=C(CCC1CCCC1)Nc1cccc(I)c1 ZINC000000618151 563359907 /nfs/dbraw/zinc/35/99/07/563359907.db2.gz JESBMRVILVYRTO-UHFFFAOYSA-N 0 0 343.208 4.200 50 0 EIAARN c1coc(-c2nnc3sc(-c4csc5c4CCCC5)nn32)c1 ZINC000000620047 563361691 /nfs/dbraw/zinc/36/16/91/563361691.db2.gz OMVLFRHFRDOWND-UHFFFAOYSA-N 0 0 328.422 4.053 50 0 EIAARN Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2cccc3ccccc32)n1 ZINC000000621514 563362266 /nfs/dbraw/zinc/36/22/66/563362266.db2.gz AEHYRVFQSRZYHZ-AWEZNQCLSA-N 0 0 337.448 4.366 50 0 EIAARN O=C(c1ccccc1F)N(Cc1cccs1)c1ccc(O)cc1 ZINC000000782904 563363504 /nfs/dbraw/zinc/36/35/04/563363504.db2.gz KCNGWORSDMUOHB-UHFFFAOYSA-N 0 0 327.380 4.440 50 0 EIAARN CC(C)(C)c1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 ZINC000000917362 563365946 /nfs/dbraw/zinc/36/59/46/563365946.db2.gz LUWFKXMSJULTNT-UHFFFAOYSA-N 0 0 330.240 4.395 50 0 EIAARN Cc1ccc(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1 ZINC000000993399 563367402 /nfs/dbraw/zinc/36/74/02/563367402.db2.gz WMJBVUJINOKYGE-GOSISDBHSA-N 0 0 345.398 4.107 50 0 EIAARN Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000001009521 563368346 /nfs/dbraw/zinc/36/83/46/563368346.db2.gz OGNAFWDDDVCBRN-CQSZACIVSA-N 0 0 332.812 4.286 50 0 EIAARN CN1c2ccccc2C(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000001041028 563369601 /nfs/dbraw/zinc/36/96/01/563369601.db2.gz IHHASYPFWOYDON-UHFFFAOYSA-N 0 0 327.427 4.386 50 0 EIAARN Cc1c2ccccc2oc1C(=O)NCc1ccccc1Br ZINC000001056375 563371541 /nfs/dbraw/zinc/37/15/41/563371541.db2.gz NEPIJVPJQTZXBW-UHFFFAOYSA-N 0 0 344.208 4.434 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000001059678 563371914 /nfs/dbraw/zinc/37/19/14/563371914.db2.gz NZYXUANQJISHGM-INIZCTEOSA-N 0 0 336.435 4.262 50 0 EIAARN Cc1ccc(-c2noc(CN(C(=O)Cc3ccccc3)C(C)C)n2)cc1 ZINC000001062243 563372200 /nfs/dbraw/zinc/37/22/00/563372200.db2.gz YXGISZBXKQXBIO-UHFFFAOYSA-N 0 0 349.434 4.025 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2C)cc1 ZINC000001077308 563373839 /nfs/dbraw/zinc/37/38/39/563373839.db2.gz WJYBIPNTZWDZBH-UHFFFAOYSA-N 0 0 334.213 4.332 50 0 EIAARN COC(=O)c1ccccc1NC(=O)Cc1coc2cc(C)cc(C)c12 ZINC000001105729 563374917 /nfs/dbraw/zinc/37/49/17/563374917.db2.gz JTPLQLXQSWFPHZ-UHFFFAOYSA-N 0 0 337.375 4.017 50 0 EIAARN CCOc1ccc(N2C(=O)S/C(=C\c3cccc(O)c3)C2=O)cc1 ZINC000001207621 563379139 /nfs/dbraw/zinc/37/91/39/563379139.db2.gz UEBUPJOSAJDGCN-WJDWOHSUSA-N 0 0 341.388 4.032 50 0 EIAARN CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000001204723 563379143 /nfs/dbraw/zinc/37/91/43/563379143.db2.gz VLIFXMWHVBWRHX-VBKFSLOCSA-N 0 0 325.389 4.326 50 0 EIAARN COC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccco2)cc1 ZINC000001390719 563385769 /nfs/dbraw/zinc/38/57/69/563385769.db2.gz VNUSSKRUEDJGHD-UHFFFAOYSA-N 0 0 337.331 4.111 50 0 EIAARN CNc1cnn(-c2ccc(C)cc2)c(=O)c1Sc1ccc(C)cc1 ZINC000001398194 563387081 /nfs/dbraw/zinc/38/70/81/563387081.db2.gz DQHPAYGRKMXPED-UHFFFAOYSA-N 0 0 337.448 4.042 50 0 EIAARN Nc1ccccc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000001406190 563387688 /nfs/dbraw/zinc/38/76/88/563387688.db2.gz XBNQGBQBXLPHNC-UHFFFAOYSA-N 0 0 327.236 4.306 50 0 EIAARN COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@]2(C)C1=CC[C@H]2OC(C)=O ZINC000001405901 563387705 /nfs/dbraw/zinc/38/77/05/563387705.db2.gz LRTUTQVESNZNCY-PCFDJQJPSA-N 0 0 340.419 4.292 50 0 EIAARN Cc1ccc(C(=O)N2C3=C(CCCC3)C(=O)NC23CCCCC3)cc1 ZINC000001443466 563389594 /nfs/dbraw/zinc/38/95/94/563389594.db2.gz YYLVPMMZDJCUIW-UHFFFAOYSA-N 0 0 338.451 4.056 50 0 EIAARN Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cn1 ZINC000071888318 563400298 /nfs/dbraw/zinc/40/02/98/563400298.db2.gz LTZQQLRQULPMAV-FQEVSTJZSA-N 0 0 333.435 4.168 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1 ZINC000001722863 563407250 /nfs/dbraw/zinc/40/72/50/563407250.db2.gz RIXWRVFPTQHSRO-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN C[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1Cl ZINC000001926791 563416523 /nfs/dbraw/zinc/41/65/23/563416523.db2.gz IADZNIAJCNXPKO-ZDUSSCGKSA-N 0 0 330.815 4.212 50 0 EIAARN CCCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OC)cc2)c1 ZINC000002069873 563421104 /nfs/dbraw/zinc/42/11/04/563421104.db2.gz WNOJXOGUMGHDSX-UHFFFAOYSA-N 0 0 347.798 4.168 50 0 EIAARN CCCCSc1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000002302274 563428808 /nfs/dbraw/zinc/42/88/08/563428808.db2.gz COZBRSIOMRIGKS-UHFFFAOYSA-N 0 0 340.448 4.287 50 0 EIAARN O=C(c1ccc(Cl)cc1)c1ccc(I)cc1 ZINC000002392545 563431250 /nfs/dbraw/zinc/43/12/50/563431250.db2.gz YMEUBHUXXVUFID-UHFFFAOYSA-N 0 0 342.563 4.176 50 0 EIAARN CC(=O)[C@@H](C)Sc1cc(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000002416119 563432028 /nfs/dbraw/zinc/43/20/28/563432028.db2.gz GFPYOOGWRDKZHA-CQSZACIVSA-N 0 0 325.437 4.083 50 0 EIAARN COc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1 ZINC000002443114 563432469 /nfs/dbraw/zinc/43/24/69/563432469.db2.gz PRTUMWDQMFVJAI-UHFFFAOYSA-N 0 0 336.387 4.178 50 0 biogenic EIAARN CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000002499145 563434561 /nfs/dbraw/zinc/43/45/61/563434561.db2.gz FHQCHFPLLBVKLE-AWEZNQCLSA-N 0 0 343.398 4.332 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000002512688 563435189 /nfs/dbraw/zinc/43/51/89/563435189.db2.gz FLWSDZNURMVBJZ-UHFFFAOYSA-N 0 0 337.419 4.314 50 0 EIAARN Cc1ccc(C(=O)c2cccc(CN3CCSCC3)c2)c(C)c1 ZINC000002515289 563436417 /nfs/dbraw/zinc/43/64/17/563436417.db2.gz YHMXOZAULKTQLE-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN CCn1nc(NC(=O)c2cccc(C)c2)c2cc3ccc(C)cc3nc21 ZINC000002605557 563444429 /nfs/dbraw/zinc/44/44/29/563444429.db2.gz PTAWWBZBOCQQJC-UHFFFAOYSA-N 0 0 344.418 4.474 50 0 EIAARN Cc1ccc(NC(=O)CSc2ncnc3c4ccccc4oc32)cc1 ZINC000002722795 563446926 /nfs/dbraw/zinc/44/69/26/563446926.db2.gz ZTNQFDDKRCQVEX-UHFFFAOYSA-N 0 0 349.415 4.415 50 0 EIAARN O=C(CCCOc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000002751975 563448781 /nfs/dbraw/zinc/44/87/81/563448781.db2.gz KXFXDJWKCKPXPY-UHFFFAOYSA-N 0 0 337.463 4.327 50 0 EIAARN CC(C)CCC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002771490 563450198 /nfs/dbraw/zinc/45/01/98/563450198.db2.gz CVYICWMTJASGBS-LLVKDONJSA-N 0 0 338.300 4.487 50 0 EIAARN CC(C)CNC(=O)c1csc(-c2cccc(OCC(C)C)c2)n1 ZINC000034713041 563451240 /nfs/dbraw/zinc/45/12/40/563451240.db2.gz GPTPTECYLGVYPC-UHFFFAOYSA-N 0 0 332.469 4.231 50 0 EIAARN CC(=O)c1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 ZINC000002827223 563453319 /nfs/dbraw/zinc/45/33/19/563453319.db2.gz BQBNJFBXXMEPRF-UHFFFAOYSA-N 0 0 348.427 4.169 50 0 EIAARN O=C(CSCc1c(Cl)cccc1Cl)NCc1ccco1 ZINC000002842240 563454703 /nfs/dbraw/zinc/45/47/03/563454703.db2.gz XOUFKGCCLXGSOM-UHFFFAOYSA-N 0 0 330.236 4.136 50 0 EIAARN COc1cccc(C(=O)NCCSCc2ccccc2Cl)c1 ZINC000002845949 563455370 /nfs/dbraw/zinc/45/53/70/563455370.db2.gz KIOYRNJPERUQDG-UHFFFAOYSA-N 0 0 335.856 4.012 50 0 EIAARN CCOc1ccccc1NC(=S)NCCCCc1ccccc1 ZINC000002856741 563456404 /nfs/dbraw/zinc/45/64/04/563456404.db2.gz YTQZHDCPQOITLE-UHFFFAOYSA-N 0 0 328.481 4.395 50 0 EIAARN COc1ccccc1-c1nnc(SC/C=C/c2ccccc2)n1C ZINC000002865548 563458126 /nfs/dbraw/zinc/45/81/26/563458126.db2.gz QYDKZMXIIHNAFE-DHZHZOJOSA-N 0 0 337.448 4.296 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Cl ZINC000002868590 563458659 /nfs/dbraw/zinc/45/86/59/563458659.db2.gz AMAYTYHAVHMSHB-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN CCC(CC)c1nnc(NC(=O)COc2cccc(Cl)c2)s1 ZINC000002889500 563462090 /nfs/dbraw/zinc/46/20/90/563462090.db2.gz IYHJFRGHRVRWAQ-UHFFFAOYSA-N 0 0 339.848 4.113 50 0 EIAARN CCOC(=O)c1ccc(N[P@](C)(=O)Oc2ccc(F)cc2)cc1 ZINC000002900662 563462771 /nfs/dbraw/zinc/46/27/71/563462771.db2.gz WQCGUGTWPGEYCJ-HSZRJFAPSA-N 0 0 337.287 4.316 50 0 EIAARN Cc1ccc(CSCCNC(=O)CSc2ccc(C)cc2)cc1 ZINC000002983130 563465827 /nfs/dbraw/zinc/46/58/27/563465827.db2.gz KPPZOHNJYQKTTI-UHFFFAOYSA-N 0 0 345.533 4.445 50 0 EIAARN O=C(CSc1ccccc1)NCCSc1ccc(Cl)cc1 ZINC000002985443 563466930 /nfs/dbraw/zinc/46/69/30/563466930.db2.gz MYAPBCTXVZTWDQ-UHFFFAOYSA-N 0 0 337.897 4.341 50 0 EIAARN Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2)c1 ZINC000002986588 563467104 /nfs/dbraw/zinc/46/71/04/563467104.db2.gz NVODQAJLMYVUPL-UHFFFAOYSA-N 0 0 349.883 4.077 50 0 EIAARN COc1ccccc1OCCOc1ccc(C(=O)c2ccccc2)cc1 ZINC000002991252 563468174 /nfs/dbraw/zinc/46/81/74/563468174.db2.gz SSVYDSGICPRIEE-UHFFFAOYSA-N 0 0 348.398 4.384 50 0 EIAARN COc1ccc(C)cc1S(=O)(=O)Oc1c(Cl)cccc1Cl ZINC000002999654 563469227 /nfs/dbraw/zinc/46/92/27/563469227.db2.gz BEBQPJOMWYGUAY-UHFFFAOYSA-N 0 0 347.219 4.078 50 0 EIAARN CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000003127143 563473235 /nfs/dbraw/zinc/47/32/35/563473235.db2.gz IKCUOQFDCQUFTQ-HNNXBMFYSA-N 0 0 327.424 4.365 50 0 biogenic EIAARN CC(C)c1nc(CC(=O)N[C@H](C)c2nc3c(s2)CCCC3)cs1 ZINC000071893149 563478095 /nfs/dbraw/zinc/47/80/95/563478095.db2.gz CYBCZVKBZHWZQS-LLVKDONJSA-N 0 0 349.525 4.022 50 0 EIAARN O=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)c1cccc(F)c1 ZINC000034795050 563479902 /nfs/dbraw/zinc/47/99/02/563479902.db2.gz HEJFJSFQLWTEGV-UHFFFAOYSA-N 0 0 339.345 4.485 50 0 EIAARN CCc1[nH]nc(-c2ccc(F)c(F)c2)c1NC(=O)c1ccccc1 ZINC000034795659 563480354 /nfs/dbraw/zinc/48/03/54/563480354.db2.gz ZUYJQKDRRMOXER-UHFFFAOYSA-N 0 0 327.334 4.170 50 0 EIAARN COc1ccc(-n2ccc(NC(=O)c3oc4ccccc4c3C)n2)cc1 ZINC000034907460 563481910 /nfs/dbraw/zinc/48/19/10/563481910.db2.gz KAKJWQJYEVBJDY-UHFFFAOYSA-N 0 0 347.374 4.188 50 0 EIAARN Cc1nc(C(=O)Nc2ccc(C(C)C)cc2)nn1-c1ccccc1C ZINC000034910595 563482549 /nfs/dbraw/zinc/48/25/49/563482549.db2.gz MTOXSVBSKIUDHN-UHFFFAOYSA-N 0 0 334.423 4.260 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000003480065 563485566 /nfs/dbraw/zinc/48/55/66/563485566.db2.gz BXPAHNWKDWCGSZ-UHFFFAOYSA-N 0 0 338.234 4.467 50 0 EIAARN O=C(/C=C/c1ccncc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000071893527 563487403 /nfs/dbraw/zinc/48/74/03/563487403.db2.gz PXDCEVSGXHLWOZ-MDZDMXLPSA-N 0 0 340.386 4.277 50 0 EIAARN CC(C)Cc1nnc([C@H](C)Sc2nc3cc(Cl)cnc3[nH]2)o1 ZINC000071893877 563487858 /nfs/dbraw/zinc/48/78/58/563487858.db2.gz IYWRQGRKUZVLPY-QMMMGPOBSA-N 0 0 337.836 4.046 50 0 EIAARN CC(C)(C)c1ccc(C2=NNC(=O)[C@@H](c3c[nH]c4ccccc43)C2)cc1 ZINC000005187543 563522055 /nfs/dbraw/zinc/52/20/55/563522055.db2.gz VJFZZNIMQBQZRE-QGZVFWFLSA-N 0 0 345.446 4.473 50 0 EIAARN O=C(c1cccnc1-c1nc2ccccc2s1)N1CCCCCC1 ZINC000005427313 563532412 /nfs/dbraw/zinc/53/24/12/563532412.db2.gz RJJJJCHGXVSUOW-UHFFFAOYSA-N 0 0 337.448 4.375 50 0 EIAARN CCCN(CCC)C(=O)c1cccc(C(=O)N(CCC)CCC)c1 ZINC000005430711 563532417 /nfs/dbraw/zinc/53/24/17/563532417.db2.gz HVOKODAEPNQEPK-UHFFFAOYSA-N 0 0 332.488 4.211 50 0 EIAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc2ccccc21 ZINC000005581843 563541040 /nfs/dbraw/zinc/54/10/40/563541040.db2.gz BAFIUGLAUOJTLN-BUHFOSPRSA-N 0 0 332.428 4.366 50 0 EIAARN CCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2nc1CC ZINC000005674253 563544821 /nfs/dbraw/zinc/54/48/21/563544821.db2.gz LCENDJDSICBLPH-UHFFFAOYSA-N 0 0 336.391 4.334 50 0 EIAARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1Cc1ccco1 ZINC000005731203 563547661 /nfs/dbraw/zinc/54/76/61/563547661.db2.gz SJNKYBFZSVMFGR-UHFFFAOYSA-N 0 0 326.208 4.182 50 0 EIAARN CCOc1ccc(N2C(=S)N=NC2c2c[nH]c3ccccc32)cc1 ZINC000005891003 563553287 /nfs/dbraw/zinc/55/32/87/563553287.db2.gz MGJNVHFYOJBWTC-UHFFFAOYSA-N 0 0 336.420 4.103 50 0 EIAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H](C)C(C)(C)C ZINC000071902334 563553543 /nfs/dbraw/zinc/55/35/43/563553543.db2.gz JFHRWISSKZCMNN-CYBMUJFWSA-N 0 0 328.416 4.133 50 0 EIAARN COc1ccc(C2N=NC(=S)N2c2ccccc2C(C)C)cc1 ZINC000006146371 563559699 /nfs/dbraw/zinc/55/96/99/563559699.db2.gz TYDJBLSGEMFBIB-UHFFFAOYSA-N 0 0 325.437 4.355 50 0 EIAARN COc1ccc(Cc2n[nH]c(=S)n2C2CCCCC2)cc1OC ZINC000006373160 563566402 /nfs/dbraw/zinc/56/64/02/563566402.db2.gz CRDQCLWQRAWEPU-UHFFFAOYSA-N 0 0 333.457 4.054 50 0 EIAARN CC(C)c1cc(CNC(=O)Nc2cccc(-c3nccs3)c2)on1 ZINC000071907957 563570373 /nfs/dbraw/zinc/57/03/73/563570373.db2.gz GEDTWWZEASXZBK-UHFFFAOYSA-N 0 0 342.424 4.243 50 0 EIAARN Clc1ccc(OCCSc2nnc3[nH]c4ccccc4n32)cc1 ZINC000006506936 563570680 /nfs/dbraw/zinc/57/06/80/563570680.db2.gz CNKSTGFXCZKNDC-UHFFFAOYSA-N 0 0 344.827 4.035 50 0 EIAARN O=C(CCc1ccco1)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000010580402 563572404 /nfs/dbraw/zinc/57/24/04/563572404.db2.gz DQSCJDBGPLXAHB-UHFFFAOYSA-N 0 0 341.436 4.061 50 0 EIAARN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NC[C@H]2CC=CCC2)c1 ZINC000071909586 563575229 /nfs/dbraw/zinc/57/52/29/563575229.db2.gz APZUUUGOTGMTGT-OWJWWREXSA-N 0 0 348.512 4.212 50 0 EIAARN O=c1c(-c2ccccc2)c(O)cc(-c2cccnc2)n1-c1ccccc1 ZINC000006666643 563577099 /nfs/dbraw/zinc/57/70/99/563577099.db2.gz RKYMUVWHGRSRQJ-UHFFFAOYSA-N 0 0 340.382 4.272 50 0 EIAARN Cc1cc2oc(=O)c3c(c2cc1OC(=O)C1CCCCC1)CCCC3 ZINC000006686609 563577950 /nfs/dbraw/zinc/57/79/50/563577950.db2.gz NBFDDQCEZSKADJ-UHFFFAOYSA-N 0 0 340.419 4.466 50 0 EIAARN Cc1ccccc1NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000006697542 563578711 /nfs/dbraw/zinc/57/87/11/563578711.db2.gz ODXIODQQGPWLRK-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1 ZINC000006714561 563581606 /nfs/dbraw/zinc/58/16/06/563581606.db2.gz AAMRDGPAVXOIEU-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN Cc1ccc(NC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000006743813 563584954 /nfs/dbraw/zinc/58/49/54/563584954.db2.gz MXQZNCNWUILRIL-UHFFFAOYSA-N 0 0 336.395 4.017 50 0 EIAARN COC(=O)/C=C/c1ccc(OCCSc2ccccc2)c(OC)c1 ZINC000006793348 563586718 /nfs/dbraw/zinc/58/67/18/563586718.db2.gz CCAPUHSPAWULPS-PKNBQFBNSA-N 0 0 344.432 4.053 50 0 EIAARN c1ccc2c3nc(-c4cccnc4)nn3c(NC3CCCCC3)nc2c1 ZINC000006805414 563587210 /nfs/dbraw/zinc/58/72/10/563587210.db2.gz VVGWPVAMDBVPIG-UHFFFAOYSA-N 0 0 344.422 4.084 50 0 EIAARN Cc1cccc(-c2noc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 ZINC000006811175 563587218 /nfs/dbraw/zinc/58/72/18/563587218.db2.gz AYFCDWRHOAVTDP-UHFFFAOYSA-N 0 0 349.434 4.273 50 0 EIAARN Cc1cc(C)cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000007056360 563594674 /nfs/dbraw/zinc/59/46/74/563594674.db2.gz DXUFGVXPMWVGJI-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1Cl ZINC000007058493 563594680 /nfs/dbraw/zinc/59/46/80/563594680.db2.gz KCFPKMJCALFHOE-SNVBAGLBSA-N 0 0 331.828 4.336 50 0 EIAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000002634730 563596831 /nfs/dbraw/zinc/59/68/31/563596831.db2.gz NQHGRHSSEMIUCP-UHFFFAOYSA-N 0 0 348.402 4.073 50 0 EIAARN COc1cc(Cl)c(NC(=O)c2cc3ccccc3o2)cc1OC ZINC000010587189 563597660 /nfs/dbraw/zinc/59/76/60/563597660.db2.gz FEDDMLFOGHQPDZ-UHFFFAOYSA-N 0 0 331.755 4.356 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@H](c1cccc(C)c1)CC(=O)N2 ZINC000007342050 563599749 /nfs/dbraw/zinc/59/97/49/563599749.db2.gz WIFXFCPBUNMYBM-HNNXBMFYSA-N 0 0 325.408 4.267 50 0 EIAARN COc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cc(C)ccc1O2 ZINC000002691567 563601521 /nfs/dbraw/zinc/60/15/21/563601521.db2.gz OCKCUZKSLNMHKT-UHFFFAOYSA-N 0 0 336.416 4.446 50 0 EIAARN COc1ccc(-c2[nH]c3ccccc3c2SCCNC(C)=O)cc1 ZINC000002721177 563605989 /nfs/dbraw/zinc/60/59/89/563605989.db2.gz WLXBHDZACIGCPC-UHFFFAOYSA-N 0 0 340.448 4.072 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1nc(C)c(C)c1C ZINC000007636109 563608361 /nfs/dbraw/zinc/60/83/61/563608361.db2.gz NSAWKFVYWDTJAI-SNVBAGLBSA-N 0 0 335.835 4.060 50 0 EIAARN CCn1nc(C)c2c1nc(-c1cccc(OC)c1)cc2C(F)(F)F ZINC000002732555 563609470 /nfs/dbraw/zinc/60/94/70/563609470.db2.gz WOZMUVVVZIOSDV-UHFFFAOYSA-N 0 0 335.329 4.454 50 0 EIAARN CCCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCC2 ZINC000002763182 563610392 /nfs/dbraw/zinc/61/03/92/563610392.db2.gz JJVVRZIIRCTHDO-UHFFFAOYSA-N 0 0 347.411 4.195 50 0 EIAARN Cc1ccccc1C(=O)N(Cc1nc(-c2ccccc2)no1)C(C)(C)C ZINC000007720104 563612014 /nfs/dbraw/zinc/61/20/14/563612014.db2.gz YDSKJMRJJRGKNA-UHFFFAOYSA-N 0 0 349.434 4.486 50 0 EIAARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000002789162 563613545 /nfs/dbraw/zinc/61/35/45/563613545.db2.gz NMTDPKZAOITFIL-OAHLLOKOSA-N 0 0 330.428 4.385 50 0 EIAARN C[C@@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000002766344 563613756 /nfs/dbraw/zinc/61/37/56/563613756.db2.gz KTIVGPVAPGTPPW-GFCCVEGCSA-N 0 0 330.255 4.411 50 0 EIAARN CCN(CCC(F)(F)F)C(=O)c1cccc(Oc2nccs2)c1 ZINC000071914735 563614190 /nfs/dbraw/zinc/61/41/90/563614190.db2.gz JYQSSZIEYBOBRG-UHFFFAOYSA-N 0 0 344.358 4.350 50 0 EIAARN Cc1nccn1C(=O)c1sc2cccc(OC(F)F)c2c1Cl ZINC000002790995 563614898 /nfs/dbraw/zinc/61/48/98/563614898.db2.gz DDPHJTCPZKRVQM-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/69/42/26/563694226.db2.gz SLPFBXWQZYIDAU-UHFFFAOYSA-N 0 0 343.477 4.324 50 0 EIAARN Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1Cl ZINC000013326210 563694975 /nfs/dbraw/zinc/69/49/75/563694975.db2.gz ZMEJIZLRBQAYAA-SNVBAGLBSA-N 0 0 325.195 4.103 50 0 EIAARN CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000013328840 563695986 /nfs/dbraw/zinc/69/59/86/563695986.db2.gz MPYNPWZKCAUTSH-PBHICJAKSA-N 0 0 327.424 4.075 50 0 EIAARN O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1 ZINC000013329686 563696383 /nfs/dbraw/zinc/69/63/83/563696383.db2.gz WFZXBIURYUULCG-UHFFFAOYSA-N 0 0 348.377 4.008 50 0 EIAARN CCc1noc(C)c1C(=O)N[C@@H](CC)C12CC3CC(CC(C3)C1)C2 ZINC000013330748 563696425 /nfs/dbraw/zinc/69/64/25/563696425.db2.gz UJAVGXWPUQXFFC-SOZFHFLDSA-N 0 0 330.472 4.270 50 0 EIAARN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ncccc1C ZINC000013331687 563696629 /nfs/dbraw/zinc/69/66/29/563696629.db2.gz DHHOTBDJJNHHON-CYBMUJFWSA-N 0 0 339.222 4.493 50 0 EIAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(Cl)cn1 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COc1cccc(C(=O)Nc2nonc2-c2ccc(C(C)C)cc2)c1 ZINC000013735610 563719964 /nfs/dbraw/zinc/71/99/64/563719964.db2.gz RDHQZYSVPJVYRW-UHFFFAOYSA-N 0 0 337.379 4.121 50 0 EIAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)c1 ZINC000013744473 563720289 /nfs/dbraw/zinc/72/02/89/563720289.db2.gz KDABDOUJRXKEOG-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN O=C(Nc1nnc(C(F)(F)F)s1)c1cc2c(s1)CCCCC2 ZINC000013746652 563720834 /nfs/dbraw/zinc/72/08/34/563720834.db2.gz CTJXYALOVPYTFX-UHFFFAOYSA-N 0 0 347.387 4.140 50 0 EIAARN CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(C)c1 ZINC000013759173 563721583 /nfs/dbraw/zinc/72/15/83/563721583.db2.gz VRCIQJLEMLNGMJ-UHFFFAOYSA-N 0 0 348.446 4.197 50 0 EIAARN Cc1nc2ccc(C(=O)Oc3cccc4cccnc43)cc2nc1C ZINC000032740552 563721625 /nfs/dbraw/zinc/72/16/25/563721625.db2.gz HGPWXFNOQFWCLB-UHFFFAOYSA-N 0 0 329.359 4.014 50 0 EIAARN CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C(C)(C)C ZINC000013787950 563723670 /nfs/dbraw/zinc/72/36/70/563723670.db2.gz WGSSERNWLUNMSM-UHFFFAOYSA-N 0 0 328.456 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EIAARN O=C(Cc1ccc2ccccc2c1)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000032817682 563751229 /nfs/dbraw/zinc/75/12/29/563751229.db2.gz CBVJPBBKMQYZHG-UHFFFAOYSA-N 0 0 348.377 4.045 50 0 EIAARN Cc1nn(C)c(Cl)c1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000032818758 563751525 /nfs/dbraw/zinc/75/15/25/563751525.db2.gz QFZKBEMXKLPLKY-UHFFFAOYSA-N 0 0 346.818 4.073 50 0 EIAARN COc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(C)c1 ZINC000014223699 563751969 /nfs/dbraw/zinc/75/19/69/563751969.db2.gz CBUMZUNCKYBYKV-UHFFFAOYSA-N 0 0 333.453 4.003 50 0 EIAARN CC(C)CCC[C@@H](C)NC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000032809233 563752092 /nfs/dbraw/zinc/75/20/92/563752092.db2.gz PYMUASBZNSYIDF-SJLPKXTDSA-N 0 0 342.487 4.024 50 0 EIAARN C[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1F ZINC000032811032 563752777 /nfs/dbraw/zinc/75/27/77/563752777.db2.gz INNRAJWQYLEKFU-NSHDSACASA-N 0 0 331.778 4.380 50 0 EIAARN CCc1ccc(Cn2nccc2NC(=O)c2ccc(F)cc2F)cc1 ZINC000014245286 563754702 /nfs/dbraw/zinc/75/47/02/563754702.db2.gz YDYPQHCZKUMWCM-UHFFFAOYSA-N 0 0 341.361 4.024 50 0 EIAARN Cc1ccc2nc3c(c(C(=O)O[C@H]4CCCCC4=O)c2c1)CCCC3 ZINC000014253577 563755997 /nfs/dbraw/zinc/75/59/97/563755997.db2.gz IJTZNDBNUKXFBN-IBGZPJMESA-N 0 0 337.419 4.091 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Cl)n[nH]2)cc1 ZINC000014262376 563756744 /nfs/dbraw/zinc/75/67/44/563756744.db2.gz XVTIWOUBODMUJT-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(C)=O)s2)cc1 ZINC000032821000 563757597 /nfs/dbraw/zinc/75/75/97/563757597.db2.gz XKIQZAPKRJZLJK-INIZCTEOSA-N 0 0 343.448 4.327 50 0 EIAARN Cc1ccc2cccc(OCC(=O)N[C@H](C)c3ccc(C)c(C)c3)c2n1 ZINC000014339428 563758027 /nfs/dbraw/zinc/75/80/27/563758027.db2.gz BEVYNXFCBGHRRO-QGZVFWFLSA-N 0 0 348.446 4.416 50 0 EIAARN O=C(Nc1cccc2ccccc21)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000032833078 563759360 /nfs/dbraw/zinc/75/93/60/563759360.db2.gz CRNQRRPOVXAZJH-IBGZPJMESA-N 0 0 334.350 4.111 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000014575400 563760927 /nfs/dbraw/zinc/76/09/27/563760927.db2.gz ZMEYHMZGKPYDOI-SECBINFHSA-N 0 0 329.268 4.475 50 0 EIAARN COc1cc(CC(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1C ZINC000032847907 563762273 /nfs/dbraw/zinc/76/22/73/563762273.db2.gz OWXTZRYXWWIOAT-UHFFFAOYSA-N 0 0 339.222 4.074 50 0 EIAARN CCCCc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000014661050 563762356 /nfs/dbraw/zinc/76/23/56/563762356.db2.gz JGYNRPLGLFDLGE-UHFFFAOYSA-N 0 0 330.240 4.440 50 0 EIAARN COc1ccc(CCS[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000032854108 563763079 /nfs/dbraw/zinc/76/30/79/563763079.db2.gz VXNRKFOHYPEQIF-CQSZACIVSA-N 0 0 345.464 4.007 50 0 EIAARN CC[C@@H](NC(=O)Cn1c(C)cc2ccccc21)c1ccc(OC)cc1 ZINC000014701279 563763362 /nfs/dbraw/zinc/76/33/62/563763362.db2.gz VULTVLLROCADHX-LJQANCHMSA-N 0 0 336.435 4.226 50 0 EIAARN Cc1ccc(-c2nn(CN(C)Cc3ccccc3)c(=S)o2)cc1 ZINC000004549725 563764863 /nfs/dbraw/zinc/76/48/63/563764863.db2.gz NRCXXWBAAOIUFN-UHFFFAOYSA-N 0 0 325.437 4.271 50 0 EIAARN O/N=c1\oc2cc(O)ccc2cc1-c1nc(-c2ccccc2)cs1 ZINC000004550307 563764999 /nfs/dbraw/zinc/76/49/99/563764999.db2.gz YVLWJFUNRQUICN-JZJYNLBNSA-N 0 0 336.372 4.219 50 0 EIAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1ccccn1 ZINC000014897556 563766449 /nfs/dbraw/zinc/76/64/49/563766449.db2.gz VYYOKFLJJXDOMR-UHFFFAOYSA-N 0 0 328.368 4.010 50 0 EIAARN O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000014898790 563766533 /nfs/dbraw/zinc/76/65/33/563766533.db2.gz UKVGSTUJCGFAFM-UHFFFAOYSA-N 0 0 345.324 4.072 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CCC21OCCO1 ZINC000003881633 563770102 /nfs/dbraw/zinc/77/01/02/563770102.db2.gz AOYBIWCQSGSYJF-RMMWZPCPSA-N 0 0 328.452 4.037 50 0 biogenic EIAARN CCOc1ccc(C[C@@H]2c3cc(C)ccc3NC2=O)cc1OCC ZINC000015017688 563773294 /nfs/dbraw/zinc/77/32/94/563773294.db2.gz NFSFZBTUDCHSQI-MRXNPFEDSA-N 0 0 325.408 4.071 50 0 EIAARN Cc1ccsc1C[C@H]1c2cc(Br)ccc2N(C)C1=O ZINC000015018126 563773349 /nfs/dbraw/zinc/77/33/49/563773349.db2.gz JAVIDZZTOYBASM-LBPRGKRZSA-N 0 0 336.254 4.122 50 0 EIAARN C[C@@H](OC(=O)Cc1ccccc1F)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032876716 563773974 /nfs/dbraw/zinc/77/39/74/563773974.db2.gz DVKWUJRJZFRGIG-BUBBNXEVSA-N 0 0 344.426 4.085 50 0 EIAARN O=C1C[C@@H](c2nc3cc(Cl)ccc3o2)CN1c1ccc(F)cc1 ZINC000015082887 563777109 /nfs/dbraw/zinc/77/71/09/563777109.db2.gz ISGOYOKRMVERCW-SNVBAGLBSA-N 0 0 330.746 4.141 50 0 EIAARN COc1ccc(OC)c2c(C)cc(SCc3cccnc3)nc12 ZINC000015083443 563777165 /nfs/dbraw/zinc/77/71/65/563777165.db2.gz YWQOZRFVHXJISI-UHFFFAOYSA-N 0 0 326.421 4.248 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000032895164 563780652 /nfs/dbraw/zinc/78/06/52/563780652.db2.gz RNYGKDRRKKOFNP-INIZCTEOSA-N 0 0 345.826 4.335 50 0 EIAARN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cn2cc(Cl)ccc2n1 ZINC000032894935 563783217 /nfs/dbraw/zinc/78/32/17/563783217.db2.gz NLQJZVIVVJWOAW-NSHDSACASA-N 0 0 335.785 4.459 50 0 EIAARN COc1ccc2c(c1)C=C(C(=O)Nc1ccc(Cl)cc1)C=CO2 ZINC000015838754 563794877 /nfs/dbraw/zinc/79/48/77/563794877.db2.gz QUWVAMLOXWGCFX-UHFFFAOYSA-N 0 0 327.767 4.277 50 0 EIAARN O=c1nc(SCc2ccc(F)cc2)c2c(n1C1CCCC1)CCC2 ZINC000015840367 563795513 /nfs/dbraw/zinc/79/55/13/563795513.db2.gz KQNYUBBFMBCRKL-UHFFFAOYSA-N 0 0 344.455 4.279 50 0 EIAARN O=c1nc(SCc2ccccc2F)c2c(n1C1CCCC1)CCC2 ZINC000015840369 563795558 /nfs/dbraw/zinc/79/55/58/563795558.db2.gz GSTFRPOFIPIBBA-UHFFFAOYSA-N 0 0 344.455 4.279 50 0 EIAARN CC(C)(C)c1noc(CSc2nccn2-c2cccc(Cl)c2)n1 ZINC000032908880 563800471 /nfs/dbraw/zinc/80/04/71/563800471.db2.gz ILCGVRCNHXUXRR-UHFFFAOYSA-N 0 0 348.859 4.499 50 0 EIAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCCc2ccccc21 ZINC000016022940 563802334 /nfs/dbraw/zinc/80/23/34/563802334.db2.gz METFOWCEYKGZQB-UHFFFAOYSA-N 0 0 334.444 4.332 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccccc3F)cc12 ZINC000016053442 563802891 /nfs/dbraw/zinc/80/28/91/563802891.db2.gz CKLTZEGLZIJFAS-UHFFFAOYSA-N 0 0 345.443 4.131 50 0 EIAARN CCCc1cc(C(=O)Nc2ccccc2N2CCCC2=O)sc1C ZINC000016105846 563804019 /nfs/dbraw/zinc/80/40/19/563804019.db2.gz BXNCDSVMNAKNPC-UHFFFAOYSA-N 0 0 342.464 4.388 50 0 EIAARN CSc1ccccc1-c1nnc(NC(=O)/C=C/c2cccs2)o1 ZINC000004585565 563806352 /nfs/dbraw/zinc/80/63/52/563806352.db2.gz LRUQRTGUPURCTM-CMDGGOBGSA-N 0 0 343.433 4.172 50 0 EIAARN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000032913917 563807026 /nfs/dbraw/zinc/80/70/26/563807026.db2.gz SVTVUZXJCTWLPY-UHFFFAOYSA-N 0 0 348.431 4.171 50 0 EIAARN CCCSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 ZINC000016275987 563807494 /nfs/dbraw/zinc/80/74/94/563807494.db2.gz IPDPOOQDVKUXID-UHFFFAOYSA-N 0 0 340.452 4.230 50 0 EIAARN COc1cc(OC)c(NC(=S)Nc2ccccc2F)cc1Cl ZINC000016281560 563807499 /nfs/dbraw/zinc/80/74/99/563807499.db2.gz UYAJYUWNCUCPKO-UHFFFAOYSA-N 0 0 340.807 4.305 50 0 EIAARN CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C)on1 ZINC000016341202 563808932 /nfs/dbraw/zinc/80/89/32/563808932.db2.gz OEFYUVQLWMZKIQ-LLVKDONJSA-N 0 0 329.183 4.086 50 0 EIAARN CCCCN(CC(F)(F)F)C(=O)CCc1c[nH]c2ccccc12 ZINC000032915540 563813599 /nfs/dbraw/zinc/81/35/99/563813599.db2.gz XUFMUXFGPVXMPO-UHFFFAOYSA-N 0 0 326.362 4.292 50 0 EIAARN C[C@@H]1CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C[C@@H](C)O1 ZINC000016602692 563815798 /nfs/dbraw/zinc/81/57/98/563815798.db2.gz YPNFDDQZGLSLBY-RKDXNWHRSA-N 0 0 344.263 4.458 50 0 EIAARN Cc1scc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1C ZINC000016603007 563816365 /nfs/dbraw/zinc/81/63/65/563816365.db2.gz WNNWWXJNAQIISL-UHFFFAOYSA-N 0 0 342.464 4.243 50 0 EIAARN CCCc1sc(C(=O)Nc2ccncc2)cc1Br ZINC000016603846 563816586 /nfs/dbraw/zinc/81/65/86/563816586.db2.gz QIBKEEDAYZOXEJ-UHFFFAOYSA-N 0 0 325.231 4.110 50 0 EIAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1Cl ZINC000016625838 563818128 /nfs/dbraw/zinc/81/81/28/563818128.db2.gz YQFCHTQLBYAFON-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C2CC2)c(C)c1 ZINC000016651365 563819408 /nfs/dbraw/zinc/81/94/08/563819408.db2.gz UAFRFTMOXWLWQR-UHFFFAOYSA-N 0 0 332.407 4.014 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000032922726 563824458 /nfs/dbraw/zinc/82/44/58/563824458.db2.gz YYGREZKHGUXGJX-UHFFFAOYSA-N 0 0 326.327 4.132 50 0 EIAARN COc1cc2c(c(OC)c1)[C@@H](c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000017066621 563830627 /nfs/dbraw/zinc/83/06/27/563830627.db2.gz DPSPHJXGZJXCGW-MRXNPFEDSA-N 0 0 325.408 4.301 50 0 EIAARN Cn1c(CCc2ccccc2)nnc1SCc1ccccc1F ZINC000017067064 563831373 /nfs/dbraw/zinc/83/13/73/563831373.db2.gz YGKZFLWRSLJSHR-UHFFFAOYSA-N 0 0 327.428 4.032 50 0 EIAARN O=C1c2ccccc2SC1=CNN=c1[nH]c2ccccc2s1 ZINC000000295785 563839749 /nfs/dbraw/zinc/83/97/49/563839749.db2.gz GDTYERMOCCTKCL-NTEUORMPSA-N 0 0 325.418 4.043 50 0 EIAARN Cc1ccc(-c2cs/c(=N\c3cccc(Cl)c3)n2CCO)cc1 ZINC000017206672 563840558 /nfs/dbraw/zinc/84/05/58/563840558.db2.gz RNJZKHNPIQJEHT-ZZEZOPTASA-N 0 0 344.867 4.403 50 0 EIAARN COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1OC ZINC000032930101 563840652 /nfs/dbraw/zinc/84/06/52/563840652.db2.gz RFMWMJYRECMXMO-LBPRGKRZSA-N 0 0 333.815 4.157 50 0 EIAARN Cc1ccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)c(C)c1 ZINC000032930397 563840972 /nfs/dbraw/zinc/84/09/72/563840972.db2.gz NXJLPUBSLYETIZ-UHFFFAOYSA-N 0 0 346.430 4.207 50 0 EIAARN O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000032931106 563842342 /nfs/dbraw/zinc/84/23/42/563842342.db2.gz BBSIUJQVKWJHPC-CQSZACIVSA-N 0 0 336.254 4.488 50 0 EIAARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000000428072 563843422 /nfs/dbraw/zinc/84/34/22/563843422.db2.gz IQMKXEUWBPTINE-WBMJQRKESA-N 0 0 332.446 4.129 50 0 EIAARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000000428073 563843425 /nfs/dbraw/zinc/84/34/25/563843425.db2.gz IQMKXEUWBPTINE-MLGOLLRUSA-N 0 0 332.446 4.129 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)NCCc3ccccc3)ccc2c1 ZINC000017357482 563843503 /nfs/dbraw/zinc/84/35/03/563843503.db2.gz UUPVKJSSLDXBKW-INIZCTEOSA-N 0 0 333.431 4.311 50 0 EIAARN Cc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)CCCC3 ZINC000017945443 563846260 /nfs/dbraw/zinc/84/62/60/563846260.db2.gz JKYIUIDVQWXESB-UHFFFAOYSA-N 0 0 328.462 4.297 50 0 EIAARN COc1ccccc1Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O ZINC000018119552 563848922 /nfs/dbraw/zinc/84/89/22/563848922.db2.gz LSMXTIRUEKAOPB-OAHLLOKOSA-N 0 0 345.402 4.142 50 0 EIAARN FC(F)(F)c1cnc(N2CCC(n3cccc3)CC2)c(Cl)c1 ZINC000020443557 563859398 /nfs/dbraw/zinc/85/93/98/563859398.db2.gz DIOOTLCZIRTPSJ-UHFFFAOYSA-N 0 0 329.753 4.397 50 0 EIAARN CN(C)c1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000072021586 563860406 /nfs/dbraw/zinc/86/04/06/563860406.db2.gz PPJFZNAFQKUIIU-GOSISDBHSA-N 0 0 342.870 4.253 50 0 EIAARN Cc1noc([C@@H](C)NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 ZINC000072049640 563860742 /nfs/dbraw/zinc/86/07/42/563860742.db2.gz QPLCTYRHOBCQAV-MFKMUULPSA-N 0 0 347.484 4.082 50 0 EIAARN C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)c4ccccc4)cc3c2C1 ZINC000032945383 563861855 /nfs/dbraw/zinc/86/18/55/563861855.db2.gz ALCJEERYTFCUQH-AWEZNQCLSA-N 0 0 347.414 4.332 50 0 EIAARN CC(=O)c1ccccc1OCCn1c2ccccc2nc1C(F)(F)F ZINC000023985533 563867941 /nfs/dbraw/zinc/86/79/41/563867941.db2.gz XPHNZDFDLHUWBR-UHFFFAOYSA-N 0 0 348.324 4.337 50 0 EIAARN O=C(CCCc1cccs1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000023996942 563868192 /nfs/dbraw/zinc/86/81/92/563868192.db2.gz RIGGKLWZMFGMIR-FQEVSTJZSA-N 0 0 336.460 4.372 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)S[C@@H]1CCCc2ccccc21 ZINC000069896567 563869625 /nfs/dbraw/zinc/86/96/25/563869625.db2.gz YHJVPRVWUBKUPG-WMLDXEAASA-N 0 0 343.496 4.175 50 0 EIAARN CN(CCOc1ccc(F)cc1)C(=O)c1cc2ccccc2s1 ZINC000024187991 563869680 /nfs/dbraw/zinc/86/96/80/563869680.db2.gz DAFZREQKOGHGDH-UHFFFAOYSA-N 0 0 329.396 4.191 50 0 EIAARN COc1ccc(Cl)cc1NCC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000024214713 563869904 /nfs/dbraw/zinc/86/99/04/563869904.db2.gz PHJOEFQUXUPKBE-CQSZACIVSA-N 0 0 346.858 4.255 50 0 EIAARN COc1ccc(F)cc1CSc1nnc2sc3ccccc3n12 ZINC000024286208 563870330 /nfs/dbraw/zinc/87/03/30/563870330.db2.gz HHJSGIFCLAAOJJ-UHFFFAOYSA-N 0 0 345.424 4.384 50 0 EIAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1ccc(C)cc1 ZINC000006123497 563873849 /nfs/dbraw/zinc/87/38/49/563873849.db2.gz GRPMVBSCCAUOSQ-UHFFFAOYSA-N 0 0 331.437 4.356 50 0 EIAARN Cc1c(C(=O)Nc2nc3c(cccc3C)s2)[nH]c2c1C(=O)CCC2 ZINC000024761930 563875557 /nfs/dbraw/zinc/87/55/57/563875557.db2.gz VPBFNPFOLYWOQG-UHFFFAOYSA-N 0 0 339.420 4.013 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@@H](C)c1cccs1 ZINC000024780942 563875647 /nfs/dbraw/zinc/87/56/47/563875647.db2.gz UHZDINNFWZAXTH-LBPRGKRZSA-N 0 0 330.428 4.439 50 0 EIAARN C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(F)cc1F ZINC000024964526 563878296 /nfs/dbraw/zinc/87/82/96/563878296.db2.gz YBXHDWZIQYAUOB-JTQLQIEISA-N 0 0 335.379 4.269 50 0 EIAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025283435 563882513 /nfs/dbraw/zinc/88/25/13/563882513.db2.gz GHECITUMQMJIPS-FQEVSTJZSA-N 0 0 341.414 4.277 50 0 EIAARN Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cn1 ZINC000025310033 563882977 /nfs/dbraw/zinc/88/29/77/563882977.db2.gz RWNHBLPWSYRREW-UHFFFAOYSA-N 0 0 345.324 4.358 50 0 EIAARN O=C(Cc1csc(-c2ccco2)n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000025530090 563885742 /nfs/dbraw/zinc/88/57/42/563885742.db2.gz WLTGVPPFUWPJRC-ZFWWWQNUSA-N 0 0 330.453 4.127 50 0 EIAARN Cc1ccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)CCC3)c(C)c1 ZINC000025598270 563886460 /nfs/dbraw/zinc/88/64/60/563886460.db2.gz UVLFIQYSMALMRS-UHFFFAOYSA-N 0 0 349.474 4.414 50 0 EIAARN CC(=O)c1c(C)cc(C)c(CNc2ccccc2C(=O)N(C)C)c1C ZINC000025744436 563887676 /nfs/dbraw/zinc/88/76/76/563887676.db2.gz FXZJPEOWDPLMHF-UHFFFAOYSA-N 0 0 338.451 4.128 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1OCc1ccccc1Cl)C1CC1 ZINC000025770952 563888307 /nfs/dbraw/zinc/88/83/07/563888307.db2.gz TZPDVHDLQWJDJS-CYBMUJFWSA-N 0 0 329.827 4.447 50 0 EIAARN COc1ccc2nc(C)c(C(=O)N[C@@H](c3ccccc3)C3CC3)cc2c1 ZINC000025880261 563888875 /nfs/dbraw/zinc/88/88/75/563888875.db2.gz MTPSIPTYQSSATL-NRFANRHFSA-N 0 0 346.430 4.433 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1 ZINC000025879469 563888880 /nfs/dbraw/zinc/88/88/80/563888880.db2.gz PYBHRBGLGUKZST-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN COc1ccc2nc(C)c(C(=O)N[C@H](c3ccccc3)C3CC3)cc2c1 ZINC000025880257 563888905 /nfs/dbraw/zinc/88/89/05/563888905.db2.gz MTPSIPTYQSSATL-OAQYLSRUSA-N 0 0 346.430 4.433 50 0 EIAARN C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000026398565 563891497 /nfs/dbraw/zinc/89/14/97/563891497.db2.gz HCKPPZMSOFBTOZ-PGUXBMHVSA-N 0 0 345.270 4.263 50 0 EIAARN O=C(Nc1nc(-c2cccs2)cs1)C1=Cc2ccccc2OC1 ZINC000026768476 563893263 /nfs/dbraw/zinc/89/32/63/563893263.db2.gz SYJWAYOCRIIXFR-UHFFFAOYSA-N 0 0 340.429 4.286 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)CSc1ccc(F)c(F)c1 ZINC000027065827 563894589 /nfs/dbraw/zinc/89/45/89/563894589.db2.gz MIHLHRNVFGXVKE-UHFFFAOYSA-N 0 0 349.402 4.045 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(F)cc2C)c(C)n1CC(F)(F)F ZINC000027079812 563894600 /nfs/dbraw/zinc/89/46/00/563894600.db2.gz MGJUMWDIQNBRTM-UHFFFAOYSA-N 0 0 328.309 4.367 50 0 EIAARN O=C(NCc1cccs1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953112 563894840 /nfs/dbraw/zinc/89/48/40/563894840.db2.gz COGJNRZPVUUTOW-UHFFFAOYSA-N 0 0 345.427 4.288 50 0 EIAARN O=C(C1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000027384263 563895708 /nfs/dbraw/zinc/89/57/08/563895708.db2.gz PVSUMHTVMONAKG-KRWDZBQOSA-N 0 0 329.440 4.092 50 0 EIAARN CCN(CC)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000027475132 563896229 /nfs/dbraw/zinc/89/62/29/563896229.db2.gz RAKMOJQEANPDRE-UHFFFAOYSA-N 0 0 343.814 4.268 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)c1cccc2c3c([nH]c21)CCCC3 ZINC000027602343 563897601 /nfs/dbraw/zinc/89/76/01/563897601.db2.gz YQZKXFWPUHRHEM-IBGZPJMESA-N 0 0 346.430 4.300 50 0 EIAARN CSc1ncc(Cl)c(C(=O)NC[C@H](c2ccccc2)C(C)C)n1 ZINC000027632000 563897866 /nfs/dbraw/zinc/89/78/66/563897866.db2.gz OSUASSCYIMYOTF-ZDUSSCGKSA-N 0 0 349.887 4.022 50 0 EIAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1onc2c1CCCC2 ZINC000027662388 563898068 /nfs/dbraw/zinc/89/80/68/563898068.db2.gz HAYRKTPNAMBIHN-CYBMUJFWSA-N 0 0 342.439 4.257 50 0 EIAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1ccccc1 ZINC000027663898 563898520 /nfs/dbraw/zinc/89/85/20/563898520.db2.gz QMLBBSUHCDRFOL-LJQANCHMSA-N 0 0 342.870 4.297 50 0 EIAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc2ccccc2[nH]1 ZINC000027919916 563900240 /nfs/dbraw/zinc/90/02/40/563900240.db2.gz JYKSKUUQIHUKLH-UHFFFAOYSA-N 0 0 347.418 4.046 50 0 EIAARN CCOCc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000028347667 563902574 /nfs/dbraw/zinc/90/25/74/563902574.db2.gz KUEONYWXOQOFHA-HNNXBMFYSA-N 0 0 344.430 4.265 50 0 EIAARN Cc1cc(-c2cc(C(=O)OC(C)C)c3c(C)noc3n2)c(C)s1 ZINC000028478297 563903132 /nfs/dbraw/zinc/90/31/32/563903132.db2.gz XBBHJHRLXAUJIY-UHFFFAOYSA-N 0 0 330.409 4.442 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)Nc1c(Cl)cc(C)c2ncccc21 ZINC000072275379 563903138 /nfs/dbraw/zinc/90/31/38/563903138.db2.gz QRDSFIHTQHUMMF-UHFFFAOYSA-N 0 0 343.818 4.191 50 0 EIAARN C[C@@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)cn1 ZINC000028805364 563904130 /nfs/dbraw/zinc/90/41/30/563904130.db2.gz VAMQWEYJEPSTOZ-GFCCVEGCSA-N 0 0 329.831 4.053 50 0 EIAARN c1ccc([C@@H]2CN(Cc3nc(C4CC4)no3)Cc3ccccc32)cc1 ZINC000029523468 563907188 /nfs/dbraw/zinc/90/71/88/563907188.db2.gz PAAJPQUOVIGIPN-IBGZPJMESA-N 0 0 331.419 4.095 50 0 EIAARN CC[C@](C)(O)CNc1cc(C)nc2c(OC(F)(F)F)cccc12 ZINC000072286877 563907581 /nfs/dbraw/zinc/90/75/81/563907581.db2.gz KBBNKKWQDFBKLT-HNNXBMFYSA-N 0 0 328.334 4.015 50 0 EIAARN O=C(CCc1ccccc1)Nc1nc(CN2CCCCCC2)cs1 ZINC000029635375 563907619 /nfs/dbraw/zinc/90/76/19/563907619.db2.gz MDXKGWMIZKQNMR-UHFFFAOYSA-N 0 0 343.496 4.090 50 0 EIAARN Cc1ccc(-c2nc(CN3CCO[C@H](c4ccccc4)C3)cs2)o1 ZINC000029718903 563908007 /nfs/dbraw/zinc/90/80/07/563908007.db2.gz TXPHMKKRSCXVGE-SFHVURJKSA-N 0 0 340.448 4.285 50 0 EIAARN C[C@@H](Sc1ncnc2ccsc21)c1nc(-c2ccco2)no1 ZINC000029740344 563908402 /nfs/dbraw/zinc/90/84/02/563908402.db2.gz NFBKDZYOTAYPTQ-MRVPVSSYSA-N 0 0 330.394 4.188 50 0 EIAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1O ZINC000029794763 563908528 /nfs/dbraw/zinc/90/85/28/563908528.db2.gz AYWAYXWYPOVZAL-UHFFFAOYSA-N 0 0 335.388 4.021 50 0 EIAARN O=C(Nc1ccc2c(c1)CCO2)c1ccccc1C(=O)c1ccccc1 ZINC000030371885 563909672 /nfs/dbraw/zinc/90/96/72/563909672.db2.gz RNRTYEIEQKHORZ-UHFFFAOYSA-N 0 0 343.382 4.105 50 0 EIAARN Cc1noc([C@H](C)Nc2ccc(OCc3cccnc3)c(Cl)c2)n1 ZINC000030453802 563909771 /nfs/dbraw/zinc/90/97/71/563909771.db2.gz WAXGYGZDZIAYFY-NSHDSACASA-N 0 0 344.802 4.179 50 0 EIAARN Cc1ccc(C(=O)C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000030477347 563909783 /nfs/dbraw/zinc/90/97/83/563909783.db2.gz SNDPBOGCQYXVSR-GFCCVEGCSA-N 0 0 335.325 4.074 50 0 EIAARN Cc1nc(C)c(CN2CCN(Cc3ccc(C(C)C)cc3)CC2)s1 ZINC000072296391 563912170 /nfs/dbraw/zinc/91/21/70/563912170.db2.gz ORPVKUVYIYVEJA-UHFFFAOYSA-N 0 0 343.540 4.201 50 0 EIAARN CC(C)c1csc([C@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)n1 ZINC000072297282 563912586 /nfs/dbraw/zinc/91/25/86/563912586.db2.gz LBFGESGFAQJYJS-ZDUSSCGKSA-N 0 0 347.484 4.398 50 0 EIAARN O=c1c2ccc(-c3cc4ccccc4o3)[nH]c-2nn1-c1ccccc1 ZINC000031818910 563913151 /nfs/dbraw/zinc/91/31/51/563913151.db2.gz DOBUHJBHEPUISJ-UHFFFAOYSA-N 0 0 327.343 4.127 50 0 EIAARN Cc1ccc(N[C@@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000032579466 563913993 /nfs/dbraw/zinc/91/39/93/563913993.db2.gz SRJVAFATISVCIM-ZDUSSCGKSA-N 0 0 344.484 4.333 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)c2ccccc12 ZINC000032601917 563914112 /nfs/dbraw/zinc/91/41/12/563914112.db2.gz YQPIWRRUMONVJC-UHFFFAOYSA-N 0 0 341.432 4.266 50 0 EIAARN CCCS(=O)(=O)c1cc(N)cc2[nH]c(-c3ccc(Cl)cc3)cc21 ZINC000032628384 563914187 /nfs/dbraw/zinc/91/41/87/563914187.db2.gz DJEZTHNATUTWJI-UHFFFAOYSA-N 0 0 348.855 4.254 50 0 EIAARN Cc1cc(C)c(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)c(C)c1 ZINC000033088934 563915256 /nfs/dbraw/zinc/91/52/56/563915256.db2.gz UDQKNICNUDTJMG-OAHLLOKOSA-N 0 0 346.430 4.296 50 0 EIAARN O=C1C(=Cc2c(F)cccc2Cl)NC(=S)N1c1ccccc1 ZINC000033316344 563915810 /nfs/dbraw/zinc/91/58/10/563915810.db2.gz YJTDRLFZQQMCQW-NTEUORMPSA-N 0 0 332.787 4.153 50 0 EIAARN CC(C)(C)c1nccc(NCc2cccnc2OC2CCCC2)n1 ZINC000072307823 563915973 /nfs/dbraw/zinc/91/59/73/563915973.db2.gz ZUEOOFVJZKALQL-UHFFFAOYSA-N 0 0 326.444 4.103 50 0 EIAARN COc1ccc2[nH]c(SCC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000000994883 563917705 /nfs/dbraw/zinc/91/77/05/563917705.db2.gz BJZLYOXYHXRRDF-UHFFFAOYSA-N 0 0 332.812 4.200 50 0 EIAARN O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)Nc1cccc(Cl)c1 ZINC000072311230 563918172 /nfs/dbraw/zinc/91/81/72/563918172.db2.gz HRPIXCWFABTTNW-UHFFFAOYSA-N 0 0 344.777 4.191 50 0 EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NC(C)C)cc1 ZINC000032974899 563920271 /nfs/dbraw/zinc/92/02/71/563920271.db2.gz NKODTDCZWMKHAJ-UHFFFAOYSA-N 0 0 347.462 4.305 50 0 EIAARN Cc1ccc(/C=C\C(=O)Nc2cccc(Oc3ncccn3)c2)s1 ZINC000046292324 563920305 /nfs/dbraw/zinc/92/03/05/563920305.db2.gz JAKRCMHEVONHAM-HJWRWDBZSA-N 0 0 337.404 4.291 50 0 EIAARN CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1 ZINC000032996279 563921463 /nfs/dbraw/zinc/92/14/63/563921463.db2.gz VTGKSEXVKRZCSG-LLVKDONJSA-N 0 0 342.424 4.385 50 0 EIAARN O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)N1CCCCCC1 ZINC000032996360 563921690 /nfs/dbraw/zinc/92/16/90/563921690.db2.gz UQDGRLWEQRMZIY-UHFFFAOYSA-N 0 0 340.427 4.412 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)NC3CCCCCCC3)cc2)no1 ZINC000032996342 563921704 /nfs/dbraw/zinc/92/17/04/563921704.db2.gz FYPMECRNCNSNBX-UHFFFAOYSA-N 0 0 328.416 4.279 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc2[nH]ccc21 ZINC000071803372 563922448 /nfs/dbraw/zinc/92/24/48/563922448.db2.gz YOTBSXNEORVRTK-UHFFFAOYSA-N 0 0 336.420 4.442 50 0 EIAARN COc1ccc(-c2noc(-c3cccnc3NC3CCCC3)n2)cc1 ZINC000033004382 563924647 /nfs/dbraw/zinc/92/46/47/563924647.db2.gz LLPUTDHQTRJBHH-UHFFFAOYSA-N 0 0 336.395 4.162 50 0 EIAARN O=C(NCCc1cc(F)cc(F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000060310050 563925052 /nfs/dbraw/zinc/92/50/52/563925052.db2.gz BYDQENHVHUMRSY-UHFFFAOYSA-N 0 0 347.258 4.095 50 0 EIAARN CC(=O)Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1 ZINC000033020035 563928808 /nfs/dbraw/zinc/92/88/08/563928808.db2.gz CVVBFTARRMXOGO-UHFFFAOYSA-N 0 0 345.811 4.160 50 0 EIAARN COc1ccc(OC)c(-c2cc(=O)c3cc(Cl)c(C)cc3o2)c1 ZINC000048057033 563929952 /nfs/dbraw/zinc/92/99/52/563929952.db2.gz QQQXKYKTPGSYCP-UHFFFAOYSA-N 0 0 330.767 4.439 50 0 EIAARN O=C(N[C@@H]1CCCc2ccccc21)c1noc2c1COc1ccccc1-2 ZINC000033028811 563931595 /nfs/dbraw/zinc/93/15/95/563931595.db2.gz JCCUYTWHHZHPDN-QGZVFWFLSA-N 0 0 346.386 4.041 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 ZINC000071909711 563931958 /nfs/dbraw/zinc/93/19/58/563931958.db2.gz ARVZUNIDOCXPLD-UHFFFAOYSA-N 0 0 339.395 4.251 50 0 EIAARN Cc1ccc2c(COc3ccccc3NC(=O)C3CC3)cc(=O)oc2c1 ZINC000071911271 563932269 /nfs/dbraw/zinc/93/22/69/563932269.db2.gz ZRHSNKMSXOSABU-UHFFFAOYSA-N 0 0 349.386 4.029 50 0 EIAARN O=C(CSCCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000033047568 563934998 /nfs/dbraw/zinc/93/49/98/563934998.db2.gz YXWWJAOLPTZKMI-UHFFFAOYSA-N 0 0 343.536 4.437 50 0 EIAARN CCc1nc2cc(NC(=O)CCc3ccc(OC)c(F)c3)ccc2o1 ZINC000058015062 563936575 /nfs/dbraw/zinc/93/65/75/563936575.db2.gz QXAWIPZWKDYXDB-UHFFFAOYSA-N 0 0 342.370 4.109 50 0 EIAARN Cc1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1 ZINC000058014346 563936593 /nfs/dbraw/zinc/93/65/93/563936593.db2.gz ZARISBXLWZFEEG-UHFFFAOYSA-N 0 0 327.380 4.401 50 0 EIAARN CC(C)[C@H](NC(=O)Cn1ccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000058048002 563936924 /nfs/dbraw/zinc/93/69/24/563936924.db2.gz RQKPEPLLORMRBX-FQEVSTJZSA-N 0 0 346.434 4.031 50 0 EIAARN CN1CCN(C(=O)Nc2cccc3c2CCCC3)[C@H](c2ccccc2)C1 ZINC000058077655 563937188 /nfs/dbraw/zinc/93/71/88/563937188.db2.gz DTUMMFCGCBHJHQ-NRFANRHFSA-N 0 0 349.478 4.086 50 0 EIAARN CCN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(OC)nc1 ZINC000058087500 563937324 /nfs/dbraw/zinc/93/73/24/563937324.db2.gz CCXZNDJTRNFDHU-UHFFFAOYSA-N 0 0 346.430 4.275 50 0 EIAARN Cc1cccc2cc([C@H]3Nc4cccc(C)c4C(=O)N3)c(Cl)nc12 ZINC000058128906 563937521 /nfs/dbraw/zinc/93/75/21/563937521.db2.gz GZRUPPXNEQNBMZ-SFHVURJKSA-N 0 0 337.810 4.359 50 0 EIAARN Cc1nc(CSc2nc3ccccc3c(NC3CC3)n2)oc1C ZINC000058150730 563937889 /nfs/dbraw/zinc/93/78/89/563937889.db2.gz NVLIUAOXXLCEMH-UHFFFAOYSA-N 0 0 326.425 4.101 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H]2c2cccs2)c1C ZINC000058161265 563938396 /nfs/dbraw/zinc/93/83/96/563938396.db2.gz XIIZHANUUHWHCE-UKRRQHHQSA-N 0 0 344.480 4.304 50 0 EIAARN Cc1noc(-c2ccccc2NC(=O)c2cnc(C(C)(C)C)s2)n1 ZINC000058174895 563939079 /nfs/dbraw/zinc/93/90/79/563939079.db2.gz MQIOUTIKQXJMFN-UHFFFAOYSA-N 0 0 342.424 4.051 50 0 EIAARN COc1cccc(NC(=O)N(C)Cc2ccc(SC)c(OC)c2)c1 ZINC000058197100 563939552 /nfs/dbraw/zinc/93/95/52/563939552.db2.gz ZGWHLTXKOIJCMO-UHFFFAOYSA-N 0 0 346.452 4.090 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000058222814 563940323 /nfs/dbraw/zinc/94/03/23/563940323.db2.gz OTVKYHQXDVODCK-GFCCVEGCSA-N 0 0 328.412 4.355 50 0 EIAARN O=C(Cc1coc(-c2ccccc2)n1)N(Cc1ccsc1)C1CC1 ZINC000058282596 563941706 /nfs/dbraw/zinc/94/17/06/563941706.db2.gz AGRHPAMWVZRJGL-UHFFFAOYSA-N 0 0 338.432 4.137 50 0 EIAARN CCOCCOc1c(Cl)cccc1NC(=O)c1sccc1C ZINC000058292570 563941856 /nfs/dbraw/zinc/94/18/56/563941856.db2.gz HKWUKYXEGWKKHR-UHFFFAOYSA-N 0 0 339.844 4.378 50 0 EIAARN O=C(NCc1ccncc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000058327899 563942702 /nfs/dbraw/zinc/94/27/02/563942702.db2.gz BAPKSPURJNJYLC-CVEARBPZSA-N 0 0 349.459 4.058 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)N[C@H](C)c2cc(C)sc2C)c1 ZINC000058341258 563942891 /nfs/dbraw/zinc/94/28/91/563942891.db2.gz NZDVFUWJHPMZPB-GFCCVEGCSA-N 0 0 346.452 4.343 50 0 EIAARN CC1=NN(c2ccc(C(=O)NC[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000058356859 563943506 /nfs/dbraw/zinc/94/35/06/563943506.db2.gz VJSHAQAZQPQPPP-IBGZPJMESA-N 0 0 347.462 4.123 50 0 EIAARN Cc1cccc(OCCC(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000058357398 563943624 /nfs/dbraw/zinc/94/36/24/563943624.db2.gz BQXOQCUWYRFXAZ-YJBOKZPZSA-N 0 0 327.424 4.139 50 0 EIAARN Cc1[nH]c2ccc(C(=O)NCCO[C@H]3CCCC[C@@H]3C)cc2c1C ZINC000058370498 563944052 /nfs/dbraw/zinc/94/40/52/563944052.db2.gz BWTCPMNMSJBRDK-DJJJIMSYSA-N 0 0 328.456 4.110 50 0 EIAARN O=C(CNc1cc(CO)ccc1Cl)Nc1cccc2ccccc21 ZINC000058369714 563944073 /nfs/dbraw/zinc/94/40/73/563944073.db2.gz GYFLABAMTADATF-UHFFFAOYSA-N 0 0 340.810 4.036 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 ZINC000058420873 563945852 /nfs/dbraw/zinc/94/58/52/563945852.db2.gz BLUAJDGSGQHTPR-LLVKDONJSA-N 0 0 344.465 4.177 50 0 EIAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2scnc2C)s1 ZINC000058424647 563945917 /nfs/dbraw/zinc/94/59/17/563945917.db2.gz MWPVEPGIJXTJSA-UHFFFAOYSA-N 0 0 332.450 4.257 50 0 EIAARN O=C(OC[C@H]1CCCO1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000058426457 563946015 /nfs/dbraw/zinc/94/60/15/563946015.db2.gz XSBFKDLKNJAMBK-MRXNPFEDSA-N 0 0 349.386 4.344 50 0 EIAARN O=C(C=Cc1ccsc1)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000096405129 563950002 /nfs/dbraw/zinc/95/00/02/563950002.db2.gz JZUCZBYACKJDKF-RJRFIUFISA-N 0 0 341.215 4.494 50 0 EIAARN CN(C(=O)c1cccc(COc2cccc(F)c2)c1)c1ccccn1 ZINC000096413123 563950887 /nfs/dbraw/zinc/95/08/87/563950887.db2.gz SFKBGUPLPIZPDJ-UHFFFAOYSA-N 0 0 336.366 4.076 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000096415166 563951076 /nfs/dbraw/zinc/95/10/76/563951076.db2.gz JYCLMSDMTJJAPA-SJKOYZFVSA-N 0 0 333.382 4.214 50 0 EIAARN Cc1cc(C)cc(NC(=O)CN2C[C@@H](C)Sc3ccccc32)c1 ZINC000033059225 563951611 /nfs/dbraw/zinc/95/16/11/563951611.db2.gz IBAOCPGPETXRMZ-OAHLLOKOSA-N 0 0 326.465 4.243 50 0 EIAARN COc1c(Cl)cccc1NC(=O)N[C@H](c1nccs1)C1CC1 ZINC000096434299 563953018 /nfs/dbraw/zinc/95/30/18/563953018.db2.gz RYHPDJRYTLUQRL-LBPRGKRZSA-N 0 0 337.832 4.078 50 0 EIAARN Cc1noc(C)c1CSCC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000096441248 563953106 /nfs/dbraw/zinc/95/31/06/563953106.db2.gz SMEIMSWNNQRPLP-LRDDRELGSA-N 0 0 348.468 4.117 50 0 EIAARN O=C(CCCc1csc2ccccc12)NCCc1cscn1 ZINC000096461584 563954041 /nfs/dbraw/zinc/95/40/41/563954041.db2.gz LEDPRASKPONKCI-UHFFFAOYSA-N 0 0 330.478 4.039 50 0 EIAARN Cc1cc(C)c2nc(-c3cnc(C(C)C)nc3)cc(C(=O)N(C)C)c2c1 ZINC000063871131 563956369 /nfs/dbraw/zinc/95/63/69/563956369.db2.gz JXAREGLGTHIFRI-UHFFFAOYSA-N 0 0 348.450 4.134 50 0 EIAARN Cc1cccc(-c2ncc(CN(Cc3cncs3)C3CC3)cn2)c1 ZINC000063884016 563956507 /nfs/dbraw/zinc/95/65/07/563956507.db2.gz BKVNOWUEPQDYRU-UHFFFAOYSA-N 0 0 336.464 4.073 50 0 EIAARN OCCCn1cnc(-c2ccccc2)c1-c1ccnc2ccccc21 ZINC000065375782 563958905 /nfs/dbraw/zinc/95/89/05/563958905.db2.gz FLSXBEIAERPTCW-UHFFFAOYSA-N 0 0 329.403 4.148 50 0 EIAARN Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H](C)c1nccs1 ZINC000065381187 563959065 /nfs/dbraw/zinc/95/90/65/563959065.db2.gz HQBHZUMFQNERFN-ZDUSSCGKSA-N 0 0 342.420 4.115 50 0 EIAARN CC(=O)NCCn1cnc(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000065381710 563959079 /nfs/dbraw/zinc/95/90/79/563959079.db2.gz GINYTUNLEOPORE-UHFFFAOYSA-N 0 0 339.826 4.007 50 0 EIAARN O=C1C[C@@H](Cn2cnc(-c3ccccc3)c2C2CC2)CN1C1CCCC1 ZINC000065383939 563959153 /nfs/dbraw/zinc/95/91/53/563959153.db2.gz QSNVGDRHOGQRBR-INIZCTEOSA-N 0 0 349.478 4.219 50 0 EIAARN Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc(Oc2ccccc2)nc1 ZINC000065395125 563959564 /nfs/dbraw/zinc/95/95/64/563959564.db2.gz FTGSGWLDWRXCOF-MRXNPFEDSA-N 0 0 346.386 4.362 50 0 EIAARN CC[C@H](c1nccs1)n1cnc(-c2ccccc2)c1-c1nccn1C ZINC000065398441 563959833 /nfs/dbraw/zinc/95/98/33/563959833.db2.gz XRJARFMRCJKXLS-OAHLLOKOSA-N 0 0 349.463 4.407 50 0 EIAARN Cc1oc(-c2ccccc2)nc1[C@H]1CC(=O)Nc2cc(O)c(C)cc21 ZINC000065428166 563960665 /nfs/dbraw/zinc/96/06/65/563960665.db2.gz LSDFWASRQPHJBR-HNNXBMFYSA-N 0 0 334.375 4.138 50 0 EIAARN CN(Cc1cc(-c2ccccc2)no1)Cc1coc2ccccc2c1=O ZINC000065435085 563960921 /nfs/dbraw/zinc/96/09/21/563960921.db2.gz BNCQQFVMRNHSLP-UHFFFAOYSA-N 0 0 346.386 4.080 50 0 EIAARN CC(C)C[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2cccnc2)O1 ZINC000065528846 563961853 /nfs/dbraw/zinc/96/18/53/563961853.db2.gz UNOYPCHRRPDCSY-AABGKKOBSA-N 0 0 338.451 4.146 50 0 EIAARN Cc1nc(-c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)no1 ZINC000033077061 563963414 /nfs/dbraw/zinc/96/34/14/563963414.db2.gz GXZLQEAIDRINJP-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN Cc1ccc(CNC(=O)c2csc(Nc3ccc(C)cc3C)n2)o1 ZINC000033138796 563963727 /nfs/dbraw/zinc/96/37/27/563963727.db2.gz ASKZWIAVVYBDBU-UHFFFAOYSA-N 0 0 341.436 4.335 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c(OC)c1 ZINC000071282929 563964152 /nfs/dbraw/zinc/96/41/52/563964152.db2.gz VEJMEGQQXKNWNH-OAHLLOKOSA-N 0 0 341.411 4.139 50 0 EIAARN COc1ccc2cc([C@H]3CN(Cc4ncccc4C)CCO3)ccc2c1 ZINC000071403951 563964253 /nfs/dbraw/zinc/96/42/53/563964253.db2.gz CYTMMBYVOKZFHN-JOCHJYFZSA-N 0 0 348.446 4.125 50 0 EIAARN O=C1CC[C@]2(CCCO2)CCN1Cc1ccccc1-c1ccccc1 ZINC000071404081 563964262 /nfs/dbraw/zinc/96/42/62/563964262.db2.gz GXZYXRDZMFPOFZ-JOCHJYFZSA-N 0 0 335.447 4.415 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)cc1O ZINC000071745667 563964963 /nfs/dbraw/zinc/96/49/63/563964963.db2.gz JRKHSQGIDRKWOC-INIZCTEOSA-N 0 0 341.426 4.325 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)cc1O ZINC000071745666 563964978 /nfs/dbraw/zinc/96/49/78/563964978.db2.gz JRKHSQGIDRKWOC-MRXNPFEDSA-N 0 0 341.426 4.325 50 0 EIAARN Cc1ccccc1-c1ncc(-c2nccn2CC[C@@H]2CCCCO2)cn1 ZINC000071756995 563965292 /nfs/dbraw/zinc/96/52/92/563965292.db2.gz DTRQNSMQXLBSMZ-SFHVURJKSA-N 0 0 348.450 4.275 50 0 EIAARN Cc1[nH]c2ccc(CNc3ccc(C(=O)N4CCCC4)cn3)cc2c1C ZINC000071759997 563965332 /nfs/dbraw/zinc/96/53/32/563965332.db2.gz IHDYPXHDBJBSIM-UHFFFAOYSA-N 0 0 348.450 4.028 50 0 EIAARN O=C(Nc1ccc(O[C@H]2CCCCO2)c2ccccc12)C(F)(F)F ZINC000071767194 563965550 /nfs/dbraw/zinc/96/55/50/563965550.db2.gz MCSBOGGFTCLJDO-HNNXBMFYSA-N 0 0 339.313 4.246 50 0 EIAARN CCc1nc(-c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)no1 ZINC000033254261 563966016 /nfs/dbraw/zinc/96/60/16/563966016.db2.gz QABWDEFPVHCRRE-UHFFFAOYSA-N 0 0 347.418 4.430 50 0 EIAARN CCc1cccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1 ZINC000033254311 563966053 /nfs/dbraw/zinc/96/60/53/563966053.db2.gz SYDUNQMQZARUAL-UHFFFAOYSA-N 0 0 333.391 4.429 50 0 EIAARN Cc1ccc(/C=C/c2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1 ZINC000033255462 563966147 /nfs/dbraw/zinc/96/61/47/563966147.db2.gz GNANHGRKSYASJA-IZZDOVSWSA-N 0 0 347.418 4.052 50 0 EIAARN CC(C)NC(=O)Nc1ccc(-c2noc(-c3cccc(F)c3)n2)cc1 ZINC000033257203 563966174 /nfs/dbraw/zinc/96/61/74/563966174.db2.gz LOSQRFAQFGCNHW-UHFFFAOYSA-N 0 0 340.358 4.073 50 0 EIAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NC(C)C)cc3)ncn2)c1 ZINC000033261137 563966280 /nfs/dbraw/zinc/96/62/80/563966280.db2.gz IGXZVLOKIKOGJK-UHFFFAOYSA-N 0 0 346.434 4.334 50 0 EIAARN Cc1ccc(OC(=O)c2csc(-c3ccccn3)n2)c(Cl)c1 ZINC000097002680 563966584 /nfs/dbraw/zinc/96/65/84/563966584.db2.gz BRZBROUJIFPOOB-UHFFFAOYSA-N 0 0 330.796 4.386 50 0 EIAARN Cc1nc(C[S@](=O)[C@@H](C)c2cccc(Br)c2)oc1C ZINC000097083665 563967175 /nfs/dbraw/zinc/96/71/75/563967175.db2.gz MYBZZXYOPQZSBF-JEOXALJRSA-N 0 0 342.258 4.064 50 0 EIAARN CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(COC)o1)c1cccs1 ZINC000097095025 563967412 /nfs/dbraw/zinc/96/74/12/563967412.db2.gz SLFAXDGDIICSOL-CABCVRRESA-N 0 0 348.468 4.485 50 0 EIAARN C[S@](=O)Cc1cccc(NCCc2c(F)cccc2Cl)c1 ZINC000097114007 563967931 /nfs/dbraw/zinc/96/79/31/563967931.db2.gz CJQLMLRCWRASGX-OAQYLSRUSA-N 0 0 325.836 4.012 50 0 EIAARN O=C1COc2cc(NCc3cnc(C4CCCCC4)s3)ccc2N1 ZINC000097113782 563967932 /nfs/dbraw/zinc/96/79/32/563967932.db2.gz IADBAAADOOXZCY-UHFFFAOYSA-N 0 0 343.452 4.134 50 0 EIAARN COc1ccccc1-c1ncc(Cn2ccnc2-c2ccncc2)s1 ZINC000077286391 563968683 /nfs/dbraw/zinc/96/86/83/563968683.db2.gz BPLJVVOFUMLXAL-UHFFFAOYSA-N 0 0 348.431 4.126 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H]2C(F)(F)F)c2ccc(C)c(C)c2n1 ZINC000077287605 563968740 /nfs/dbraw/zinc/96/87/40/563968740.db2.gz KXTYXUAVFSQSKG-HNNXBMFYSA-N 0 0 336.357 4.327 50 0 EIAARN Cc1ccc(-c2ccccc2-c2nccn2CCn2nc(C)nc2C)o1 ZINC000077300581 563968839 /nfs/dbraw/zinc/96/88/39/563968839.db2.gz APNMCDUCXDEHTF-UHFFFAOYSA-N 0 0 347.422 4.027 50 0 EIAARN CC[C@H]1COCCN1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000077318918 563968927 /nfs/dbraw/zinc/96/89/27/563968927.db2.gz VZJODXFHKOOHJZ-INIZCTEOSA-N 0 0 326.396 4.122 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3C(F)(F)F)c2c1 ZINC000077407040 563969451 /nfs/dbraw/zinc/96/94/51/563969451.db2.gz OVVXEAFXSNPYFW-INIZCTEOSA-N 0 0 336.357 4.273 50 0 EIAARN O=C(c1ccc2nccnc2c1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077489762 563970036 /nfs/dbraw/zinc/97/00/36/563970036.db2.gz BAGAJBIYVRXLON-IBGZPJMESA-N 0 0 335.382 4.136 50 0 EIAARN CCCc1ccc2oc(C(=O)N(C)CCCn3cccn3)c(C)c2c1 ZINC000077505935 563970099 /nfs/dbraw/zinc/97/00/99/563970099.db2.gz MOJHAJZYMUTJSE-UHFFFAOYSA-N 0 0 339.439 4.053 50 0 EIAARN COc1ccc(OC)c([C@H]2CCN(c3ccc4ccccc4n3)C2)c1 ZINC000077565804 563970381 /nfs/dbraw/zinc/97/03/81/563970381.db2.gz GMRJISLETRTRME-INIZCTEOSA-N 0 0 334.419 4.246 50 0 EIAARN CC(C)CN(C(=O)Nc1cnn(-c2ccccc2Cl)c1)C1CC1 ZINC000097212611 563970497 /nfs/dbraw/zinc/97/04/97/563970497.db2.gz RXMSFBWCOPRVBR-UHFFFAOYSA-N 0 0 332.835 4.178 50 0 EIAARN Cc1ccc(S(=O)(=O)n2c3ccccc3nc2-c2ccccc2)cc1 ZINC000006143703 563970582 /nfs/dbraw/zinc/97/05/82/563970582.db2.gz XOTYJFDYHYEUDT-UHFFFAOYSA-N 0 0 348.427 4.249 50 0 EIAARN Cc1cccc(N(CC(F)(F)F)C(=O)c2cncc(F)c2)c1C ZINC000097014626 563970985 /nfs/dbraw/zinc/97/09/85/563970985.db2.gz LTTRRCYDGLQWIS-UHFFFAOYSA-N 0 0 326.293 4.047 50 0 EIAARN Cc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)s1 ZINC000082107151 563972300 /nfs/dbraw/zinc/97/23/00/563972300.db2.gz SCPFVHRSOFSEFR-INIZCTEOSA-N 0 0 344.480 4.093 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)c2ccc(F)cc2n1 ZINC000082107631 563972308 /nfs/dbraw/zinc/97/23/08/563972308.db2.gz PQRPZABQCLPUKM-LJQANCHMSA-N 0 0 335.382 4.055 50 0 EIAARN Cc1scc(C(=O)N2Cc3ccccc3[C@@H](O)C2)c1-c1ccccc1 ZINC000082120595 563972424 /nfs/dbraw/zinc/97/24/24/563972424.db2.gz PLRSGQUKQPVTGL-IBGZPJMESA-N 0 0 349.455 4.413 50 0 EIAARN COCCC[C@@H]1CCCN(C(=O)c2ccc3cccc(Cl)c3n2)C1 ZINC000082161633 563972822 /nfs/dbraw/zinc/97/28/22/563972822.db2.gz FNBHSDRMWUBKTL-AWEZNQCLSA-N 0 0 346.858 4.167 50 0 EIAARN Cc1nccn1C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000082162055 563972844 /nfs/dbraw/zinc/97/28/44/563972844.db2.gz ACPKHTJNIGSXHA-KRWDZBQOSA-N 0 0 339.483 4.041 50 0 EIAARN Cc1nccn1C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000082162057 563972851 /nfs/dbraw/zinc/97/28/51/563972851.db2.gz 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/nfs/dbraw/zinc/97/58/97/563975897.db2.gz KFOQILNOENBZMU-CQSZACIVSA-N 0 0 345.265 4.009 50 0 EIAARN Cc1oc2ccc(OCC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C ZINC000000086251 563975898 /nfs/dbraw/zinc/97/58/98/563975898.db2.gz OSGLAOKZVGVMSI-UHFFFAOYSA-N 0 0 332.396 4.300 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2cccs2)cc1Cl)c1ccco1 ZINC000000092926 563976605 /nfs/dbraw/zinc/97/66/05/563976605.db2.gz ZDVWKSPXFRCDPN-UHFFFAOYSA-N 0 0 346.795 4.499 50 0 EIAARN CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000095497168 563977008 /nfs/dbraw/zinc/97/70/08/563977008.db2.gz JDOZPXCHPONKRZ-CYBMUJFWSA-N 0 0 349.837 4.276 50 0 EIAARN CCCCn1ccnc1C1CCN(c2ccc(CSC)cn2)CC1 ZINC000095507228 563977166 /nfs/dbraw/zinc/97/71/66/563977166.db2.gz KYAPAGHQXFFSCM-UHFFFAOYSA-N 0 0 344.528 4.325 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)ccc1Cl ZINC000095511713 563977266 /nfs/dbraw/zinc/97/72/66/563977266.db2.gz QDMFITRTDZLKAN-INIZCTEOSA-N 0 0 345.874 4.446 50 0 EIAARN Cc1ccc2nc(C)c(C)c(C(=O)N(C)Cc3cc(C4CC4)on3)c2c1 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Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCC(C)C)cc1 ZINC000000224600 563989000 /nfs/dbraw/zinc/98/90/00/563989000.db2.gz YRCBFMVWWMVERL-UHFFFAOYSA-N 0 0 335.403 4.154 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1 ZINC000000235771 563989071 /nfs/dbraw/zinc/98/90/71/563989071.db2.gz VXNUIMSLVNPQCY-UHFFFAOYSA-N 0 0 337.806 4.215 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1C ZINC000000249395 563989445 /nfs/dbraw/zinc/98/94/45/563989445.db2.gz PRNLZIMKGNPMMW-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN CC[C@H](C)NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000000251373 563989494 /nfs/dbraw/zinc/98/94/94/563989494.db2.gz SSOHIGUJYPUQSI-JTQLQIEISA-N 0 0 331.416 4.039 50 0 EIAARN Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3n2C)CC1=O ZINC000000251959 563989522 /nfs/dbraw/zinc/98/95/22/563989522.db2.gz JGWBPZNKQZZEHZ-ZDUSSCGKSA-N 0 0 339.826 4.056 50 0 EIAARN CCc1ccc(-c2cc(C(=O)n3cccn3)c3ccccc3n2)cc1 ZINC000000253622 563989631 /nfs/dbraw/zinc/98/96/31/563989631.db2.gz PCJLEIDBTUWJCE-UHFFFAOYSA-N 0 0 327.387 4.349 50 0 EIAARN CCC(=O)O[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 ZINC000000267985 563989998 /nfs/dbraw/zinc/98/99/98/563989998.db2.gz NHMCUUWCWNYGQI-KXBFYZLASA-N 0 0 337.419 4.428 50 0 EIAARN Cc1ccc2oc(-c3cccc(NC(=O)c4cccnc4)c3)nc2c1 ZINC000000267765 563990009 /nfs/dbraw/zinc/99/00/09/563990009.db2.gz RIIVRWMKCQPSAU-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CC(C)(C)CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000000324699 563991217 /nfs/dbraw/zinc/99/12/17/563991217.db2.gz IAZNNJBFEVRHQA-OAHLLOKOSA-N 0 0 327.428 4.226 50 0 EIAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000000325376 563991228 /nfs/dbraw/zinc/99/12/28/563991228.db2.gz XQSWKEDTXSIYQZ-QGZVFWFLSA-N 0 0 348.406 4.414 50 0 EIAARN CC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000000342585 563991407 /nfs/dbraw/zinc/99/14/07/563991407.db2.gz OADDHNXPPJJDIZ-UHFFFAOYSA-N 0 0 331.169 4.216 50 0 EIAARN COc1ccc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cc1 ZINC000000359258 563991613 /nfs/dbraw/zinc/99/16/13/563991613.db2.gz 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/nfs/dbraw/zinc/99/22/79/563992279.db2.gz PYFPBLRCFHXORX-UHFFFAOYSA-N 0 0 325.843 4.183 50 0 EIAARN CN(C(=O)c1ccncc1C(F)(F)F)C1CC(c2ccccc2)C1 ZINC000408516455 563992824 /nfs/dbraw/zinc/99/28/24/563992824.db2.gz GWMXPHOVSHEZTK-UHFFFAOYSA-N 0 0 334.341 4.119 50 0 EIAARN CC(C)c1ccccc1N(C)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000408516811 563992877 /nfs/dbraw/zinc/99/28/77/563992877.db2.gz CVQVXVOMARIMOQ-UHFFFAOYSA-N 0 0 337.398 4.411 50 0 EIAARN Cc1ccc(Oc2ccccc2)c(NC(=O)CCc2ccc(=O)[nH]c2)c1 ZINC000408514872 563992947 /nfs/dbraw/zinc/99/29/47/563992947.db2.gz AAJBREJWYLKQBR-UHFFFAOYSA-N 0 0 348.402 4.459 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000257365269 563993343 /nfs/dbraw/zinc/99/33/43/563993343.db2.gz ZJRTUZYOHIHLBJ-BBWFWOEESA-N 0 0 326.465 4.309 50 0 EIAARN CCC[C@@H]1CCCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1 ZINC000061297884 563993802 /nfs/dbraw/zinc/99/38/02/563993802.db2.gz QRXZAZVFTLOAKB-MRXNPFEDSA-N 0 0 325.456 4.289 50 0 EIAARN Cc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1C ZINC000044257128 563994923 /nfs/dbraw/zinc/99/49/23/563994923.db2.gz WLKCIQDKFQXBHG-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN O=C(CCCc1ccccc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000046576027 563995190 /nfs/dbraw/zinc/99/51/90/563995190.db2.gz VYHSWSHGBIRCSX-UHFFFAOYSA-N 0 0 336.410 4.215 50 0 EIAARN CCc1ccc(N2C[C@H](c3noc(-c4ccccc4C)n3)CC2=O)cc1 ZINC000044415747 563995348 /nfs/dbraw/zinc/99/53/48/563995348.db2.gz HVHVVPLTIOSNMC-MRXNPFEDSA-N 0 0 347.418 4.128 50 0 EIAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000248244087 563995593 /nfs/dbraw/zinc/99/55/93/563995593.db2.gz KTYVXFQVIQOKJT-OTWHNJEPSA-N 0 0 339.410 4.302 50 0 EIAARN CN(C[C@@H]1CCCCO1)C(=O)NC(C)(C)c1cccc2ccccc21 ZINC000426487710 563995793 /nfs/dbraw/zinc/99/57/93/563995793.db2.gz YKQFNDBJKVMERN-KRWDZBQOSA-N 0 0 340.467 4.285 50 0 EIAARN COc1cc2c(cc1OC)/C(=C\c1ccc(SC)cc1)C(=O)OC2 ZINC000033868915 563995930 /nfs/dbraw/zinc/99/59/30/563995930.db2.gz 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563999226 /nfs/dbraw/zinc/99/92/26/563999226.db2.gz ORWLQRMCRMFAMI-MRXNPFEDSA-N 0 0 340.467 4.357 50 0 EIAARN Cc1nc(SC(F)F)sc1CC(=O)N1CCC(C(C)C)CC1 ZINC000253427584 563999228 /nfs/dbraw/zinc/99/92/28/563999228.db2.gz CUSFPFUOHFDSPR-UHFFFAOYSA-N 0 0 348.484 4.203 50 0 EIAARN CC(C)c1nn(C)cc1NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000253433170 563999278 /nfs/dbraw/zinc/99/92/78/563999278.db2.gz STXUVPZYKUDEST-FMQWLBJXSA-N 0 0 338.455 4.253 50 0 EIAARN O=C1CS[C@H](c2c(F)cccc2Cl)N1c1cccc(F)c1 ZINC000000431359 563999479 /nfs/dbraw/zinc/99/94/79/563999479.db2.gz WDFLKGNRDVVIJN-OAHLLOKOSA-N 0 0 325.767 4.397 50 0 EIAARN CO[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000128259534 563999665 /nfs/dbraw/zinc/99/96/65/563999665.db2.gz WTAUADSINRHXLV-KRWDZBQOSA-N 0 0 347.817 4.015 50 0 EIAARN Cc1ccc(-c2csc3ncnc(N4C[C@H](C)O[C@@H](C)C4)c23)cc1 ZINC000005176192 564000030 /nfs/dbraw/zinc/00/00/30/564000030.db2.gz WCEVVRBRGKLOTP-KBPBESRZSA-N 0 0 339.464 4.280 50 0 EIAARN CC1(C)[C@@H]2C[C@@H](Sc3nnn(-c4ccccc4)n3)[C@](C)(Cl)C[C@@H]21 ZINC000005180112 564000053 /nfs/dbraw/zinc/00/00/53/564000053.db2.gz SSQSSYIXOVMRJG-UMPJEAMMSA-N 0 0 348.903 4.187 50 0 EIAARN Cc1ccc2cccc(OCC(=O)Nc3ccc(F)cc3Cl)c2n1 ZINC000005198600 564000346 /nfs/dbraw/zinc/00/03/46/564000346.db2.gz NVPBPNMZTHLLEP-UHFFFAOYSA-N 0 0 344.773 4.353 50 0 EIAARN O=C(Nc1ccncc1)c1sc(-n2cccc2)nc1-c1ccccc1 ZINC000061718980 564000417 /nfs/dbraw/zinc/00/04/17/564000417.db2.gz AKUIMXQPPDNWSY-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 EIAARN CNc1nc2c(s1)[C@H](c1cccc(OC)c1OC(C)C)CC(=O)N2 ZINC000061721169 564000484 /nfs/dbraw/zinc/00/04/84/564000484.db2.gz WGFCIRKLZGWHAX-NSHDSACASA-N 0 0 347.440 4.104 50 0 EIAARN Cc1c2ccc(OC(=O)C3CC3)cc2oc(=O)c1Cc1ccccc1 ZINC000000457646 564000584 /nfs/dbraw/zinc/00/05/84/564000584.db2.gz CLYHSTKBWHUKBD-UHFFFAOYSA-N 0 0 334.371 4.008 50 0 EIAARN Cc1nn2c(nc(C)cc2-n2ccnc2C)c1-c1ccc(Cl)cc1 ZINC000005206835 564000629 /nfs/dbraw/zinc/00/06/29/564000629.db2.gz 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O=C(NCCc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 ZINC000005465922 564004390 /nfs/dbraw/zinc/00/43/90/564004390.db2.gz CDDNSIRQNMKFSL-UHFFFAOYSA-N 0 0 333.406 4.317 50 0 EIAARN CCc1cccc(C)c1NC(=O)COc1cccc2ccc(C)nc21 ZINC000005468703 564004411 /nfs/dbraw/zinc/00/44/11/564004411.db2.gz DYQPELZFZHMDSL-UHFFFAOYSA-N 0 0 334.419 4.432 50 0 EIAARN COc1ccc2c(CC(=O)Nc3ccc(OC(F)F)cc3)coc2c1 ZINC000005512155 564004857 /nfs/dbraw/zinc/00/48/57/564004857.db2.gz BLIUVOUCHONECV-UHFFFAOYSA-N 0 0 347.317 4.224 50 0 EIAARN COc1ccc(C(=O)CCNc2ccc(Cc3ccncc3)cc2)cc1 ZINC000005570137 564005518 /nfs/dbraw/zinc/00/55/18/564005518.db2.gz ONQUFTJDSQDXPH-UHFFFAOYSA-N 0 0 346.430 4.366 50 0 EIAARN Cc1noc(C)c1CSCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005574104 564005746 /nfs/dbraw/zinc/00/57/46/564005746.db2.gz OPCLFLHWOGSQQL-UHFFFAOYSA-N 0 0 344.358 4.182 50 0 EIAARN CC[C@@H](NC(=O)CCc1ccccn1)c1ccc(Br)cc1 ZINC000062582222 564006556 /nfs/dbraw/zinc/00/65/56/564006556.db2.gz VWOASKQYOMQXDR-MRXNPFEDSA-N 0 0 347.256 4.044 50 0 EIAARN O=C(NCc1cccc(Cl)c1)c1ccc(Br)s1 ZINC000006543251 564006601 /nfs/dbraw/zinc/00/66/01/564006601.db2.gz ORCMIACGEYIFLK-UHFFFAOYSA-N 0 0 330.634 4.094 50 0 EIAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)Cc1ccccc1 ZINC000005629214 564006741 /nfs/dbraw/zinc/00/67/41/564006741.db2.gz PHNSJFGWUSUGQU-CYBMUJFWSA-N 0 0 342.489 4.436 50 0 EIAARN Cc1cc(OCCCC(=O)NCc2ccccc2F)ccc1Cl ZINC000005630741 564006785 /nfs/dbraw/zinc/00/67/85/564006785.db2.gz SELPVGSREKCCJQ-UHFFFAOYSA-N 0 0 335.806 4.263 50 0 EIAARN c1ccc(-c2nc3ccccc3c(NCCc3ccccn3)n2)cc1 ZINC000005638034 564006874 /nfs/dbraw/zinc/00/68/74/564006874.db2.gz VKFANENWXCZVNM-UHFFFAOYSA-N 0 0 326.403 4.346 50 0 EIAARN O=C(CC1CCCC1)Nc1cccc(NC(=O)CC2CCCC2)n1 ZINC000008723388 564007105 /nfs/dbraw/zinc/00/71/05/564007105.db2.gz KQCDCAJYEQZPDB-UHFFFAOYSA-N 0 0 329.444 4.119 50 0 EIAARN CC(C)(C)OCc1nc(Cc2csc(-c3ccccc3)n2)no1 ZINC000273840951 564007874 /nfs/dbraw/zinc/00/78/74/564007874.db2.gz ZUWUZDORGLWPKS-UHFFFAOYSA-N 0 0 329.425 4.099 50 0 EIAARN FC(F)(F)c1cc(Br)ccc1N1CCC(F)(F)C1 ZINC000169725693 564017200 /nfs/dbraw/zinc/01/72/00/564017200.db2.gz YIUIWNXKUQDXSM-UHFFFAOYSA-N 0 0 330.094 4.313 50 0 EIAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)C1CCCC1 ZINC000017178230 564011415 /nfs/dbraw/zinc/01/14/15/564011415.db2.gz FQVPHKFVOZHJEK-UHFFFAOYSA-N 0 0 348.446 4.408 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(F)cc1F ZINC000017318888 564011661 /nfs/dbraw/zinc/01/16/61/564011661.db2.gz UKNLXBXGPYCEMI-UHFFFAOYSA-N 0 0 327.378 4.057 50 0 EIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C=C(C)C ZINC000000145666 564012110 /nfs/dbraw/zinc/01/21/10/564012110.db2.gz RTVIOENHNZIUQF-UHFFFAOYSA-N 0 0 329.421 4.497 50 0 EIAARN COc1cccc(CNc2ccc(C)cc2Br)c1OC ZINC000000243752 564012155 /nfs/dbraw/zinc/01/21/55/564012155.db2.gz YYHBBZIIEPCKMX-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN CC(C)Oc1cccc(C(=O)Nc2cccc(Br)c2)c1 ZINC000000309875 564012357 /nfs/dbraw/zinc/01/23/57/564012357.db2.gz MIRIYQNPWAIVJN-UHFFFAOYSA-N 0 0 334.213 4.489 50 0 EIAARN O=C(C[C@H]1OCCc2ccccc21)Nc1cncc(Cl)c1Cl ZINC000180152940 564012367 /nfs/dbraw/zinc/01/23/67/564012367.db2.gz QSLDEGPTMPOTRH-CQSZACIVSA-N 0 0 337.206 4.031 50 0 EIAARN O=C(CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000000365208 564012427 /nfs/dbraw/zinc/01/24/27/564012427.db2.gz MZWHCEWSSISORO-UHFFFAOYSA-N 0 0 347.237 4.300 50 0 EIAARN CCOc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2)cc1 ZINC000000451089 564012659 /nfs/dbraw/zinc/01/26/59/564012659.db2.gz GBAFKCXRHOQEBZ-LBPRGKRZSA-N 0 0 348.240 4.339 50 0 EIAARN COc1ccccc1C(=O)CSc1nnc(C2CCCCC2)o1 ZINC000006374048 564012835 /nfs/dbraw/zinc/01/28/35/564012835.db2.gz AATUJVGGFCFGDX-UHFFFAOYSA-N 0 0 332.425 4.101 50 0 EIAARN CC(=O)c1ccccc1OCCOc1ccc(C)c2c1C(=O)C[C@@H]2C ZINC000014708230 564013065 /nfs/dbraw/zinc/01/30/65/564013065.db2.gz MYKYBGBPNZRGOA-AWEZNQCLSA-N 0 0 338.403 4.345 50 0 EIAARN COc1ccc(C(=O)NCCCN(C)c2ccccc2)c2ccccc12 ZINC000017827002 564013076 /nfs/dbraw/zinc/01/30/76/564013076.db2.gz XCFSOEMNBCRHBW-UHFFFAOYSA-N 0 0 348.446 4.105 50 0 EIAARN Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c1 ZINC000017918285 564013265 /nfs/dbraw/zinc/01/32/65/564013265.db2.gz QAYNMJLDVSHENX-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)c3ccccc32)cc1 ZINC000017952543 564013385 /nfs/dbraw/zinc/01/33/85/564013385.db2.gz SXCHFAQGMVSWLH-IYBDPMFKSA-N 0 0 333.435 4.219 50 0 EIAARN C[C@H](Sc1nncn1-c1ccccc1)c1ncc(C(C)(C)C)o1 ZINC000177170200 564013780 /nfs/dbraw/zinc/01/37/80/564013780.db2.gz HUXDAJANNZSPLE-LBPRGKRZSA-N 0 0 328.441 4.406 50 0 EIAARN Cc1ccc(NC(=O)Cc2noc(-c3ccccc3C)n2)cc1Cl ZINC000016577174 564014388 /nfs/dbraw/zinc/01/43/88/564014388.db2.gz CLQFRHPKYPSOGO-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN COc1ccc(/C=C\C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000006131751 564014516 /nfs/dbraw/zinc/01/45/16/564014516.db2.gz AIRTWISSAFHEKV-TWGQIWQCSA-N 0 0 331.799 4.318 50 0 EIAARN CCOC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)C)C2 ZINC000000483758 564016850 /nfs/dbraw/zinc/01/68/50/564016850.db2.gz FPARACPOUNLZSN-JTQLQIEISA-N 0 0 339.457 4.254 50 0 EIAARN COc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)C(C)C)cc1 ZINC000000489575 564017514 /nfs/dbraw/zinc/01/75/14/564017514.db2.gz GBIFCRZAZCBEGU-KRWDZBQOSA-N 0 0 337.419 4.121 50 0 biogenic EIAARN Cc1nc2sc3c(ncnc3NCC(C)C)c2c2c1CCCC2 ZINC000000503398 564019196 /nfs/dbraw/zinc/01/91/96/564019196.db2.gz CCPGBCBETNHEAJ-UHFFFAOYSA-N 0 0 326.469 4.495 50 0 EIAARN CC(C)c1nc(-n2cccc2)sc1C(=O)NCc1ccc(F)cc1 ZINC000049006269 564019577 /nfs/dbraw/zinc/01/95/77/564019577.db2.gz OWCUJXZGFWYEDQ-UHFFFAOYSA-N 0 0 343.427 4.126 50 0 EIAARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C[C@H](C)C[C@@H](C)C1 ZINC000102509415 564020203 /nfs/dbraw/zinc/02/02/03/564020203.db2.gz WWCZZUCBFHITNR-IJLUTSLNSA-N 0 0 329.271 4.298 50 0 EIAARN CCOc1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000000521399 564021025 /nfs/dbraw/zinc/02/10/25/564021025.db2.gz CISAWPXLPDTBKY-UHFFFAOYSA-N 0 0 341.436 4.146 50 0 EIAARN Cc1ccccc1-c1nn2c(nnc2-c2ccccc2Cl)s1 ZINC000000529479 564021396 /nfs/dbraw/zinc/02/13/96/564021396.db2.gz CIZVTWHFIJNMSA-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN COc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 ZINC000000530909 564021426 /nfs/dbraw/zinc/02/14/26/564021426.db2.gz HNUCDPOXNDABRN-IAGOWNOFSA-N 0 0 340.814 4.086 50 0 EIAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1 ZINC000000531681 564021672 /nfs/dbraw/zinc/02/16/72/564021672.db2.gz XORDCRPUQVSDOW-RBUKOAKNSA-N 0 0 334.423 4.132 50 0 EIAARN O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000014361891 564022359 /nfs/dbraw/zinc/02/23/59/564022359.db2.gz AWAKKUNJEDRERU-MRXNPFEDSA-N 0 0 330.225 4.426 50 0 EIAARN COc1cccc(-c2nc3nc4ccccc4nc3n2CC(C)C)c1 ZINC000000541677 564022506 /nfs/dbraw/zinc/02/25/06/564022506.db2.gz DRYAPQJOPWAQLG-UHFFFAOYSA-N 0 0 332.407 4.311 50 0 EIAARN CC1(C)C[C@@H]([C@H](CC(=O)Nc2nccs2)c2ccccc2)CCO1 ZINC000000550248 564022895 /nfs/dbraw/zinc/02/28/95/564022895.db2.gz BIGDMJGRSNELTA-JKSUJKDBSA-N 0 0 344.480 4.461 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000554350 564023075 /nfs/dbraw/zinc/02/30/75/564023075.db2.gz ORESNOZWCQLJMM-UHFFFAOYSA-N 0 0 348.377 4.259 50 0 EIAARN O=C1C(=CC=Cc2ccccc2)NC(=S)N1c1ccc(Cl)cc1 ZINC000103696166 564023124 /nfs/dbraw/zinc/02/31/24/564023124.db2.gz MUBBJQXPCCQHFL-HASPRUBHSA-N 0 0 340.835 4.158 50 0 EIAARN O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1 ZINC000000560616 564023255 /nfs/dbraw/zinc/02/32/55/564023255.db2.gz UJPPQJXFNZBRED-UHFFFAOYSA-N 0 0 344.370 4.104 50 0 EIAARN O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)N1CCCC1 ZINC000000561022 564023267 /nfs/dbraw/zinc/02/32/67/564023267.db2.gz JKEAXWJIVRRFEI-UHFFFAOYSA-N 0 0 338.451 4.027 50 0 EIAARN CCC(=O)c1cn(CC(=O)Nc2cc(C)ccc2C)c2ccccc12 ZINC000000560813 564023277 /nfs/dbraw/zinc/02/32/77/564023277.db2.gz OILYBAQGZJLRGB-UHFFFAOYSA-N 0 0 334.419 4.490 50 0 EIAARN CSc1nc2ccc(NC(=O)c3n[nH]c4ccccc43)cc2s1 ZINC000015896751 564024364 /nfs/dbraw/zinc/02/43/64/564024364.db2.gz KVFPHBXYORAUGE-UHFFFAOYSA-N 0 0 340.433 4.147 50 0 EIAARN CCCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(OC)cc1)(C3)C2 ZINC000024578905 564024567 /nfs/dbraw/zinc/02/45/67/564024567.db2.gz YOXFSLSONXZYDR-RGMRCXJASA-N 0 0 341.495 4.450 50 0 EIAARN COCCOCc1cccc(NC(=O)N(C)[C@H](C)c2cccs2)c1 ZINC000047591016 564026536 /nfs/dbraw/zinc/02/65/36/564026536.db2.gz LSZWNTMMHLBLPU-CQSZACIVSA-N 0 0 348.468 4.136 50 0 EIAARN O=C(NCc1ccc(Br)cc1)Nc1ccccc1Cl ZINC000044845536 564027502 /nfs/dbraw/zinc/02/75/02/564027502.db2.gz LFVAWWITJBEOKH-UHFFFAOYSA-N 0 0 339.620 4.424 50 0 EIAARN Fc1cccc([C@@H]2CCCN2Cc2csc(-c3ncccn3)n2)c1 ZINC000044976912 564028020 /nfs/dbraw/zinc/02/80/20/564028020.db2.gz MQAONWXSNZURSS-INIZCTEOSA-N 0 0 340.427 4.076 50 0 EIAARN Cc1cccc2nc(CS[C@@H](C)c3ccc(F)cc3)cc(=O)n12 ZINC000045091112 564028107 /nfs/dbraw/zinc/02/81/07/564028107.db2.gz PRBBTGQBAZAVDJ-ZDUSSCGKSA-N 0 0 328.412 4.136 50 0 EIAARN COc1ccccc1[C@@H](C)N(C)C(=O)CCn1ccc2ccccc21 ZINC000045250081 564028282 /nfs/dbraw/zinc/02/82/82/564028282.db2.gz DWAKKQKWLYUVCH-MRXNPFEDSA-N 0 0 336.435 4.260 50 0 EIAARN C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000108868672 564028495 /nfs/dbraw/zinc/02/84/95/564028495.db2.gz BCRLLYGESUBULV-XDQVBPFNSA-N 0 0 332.469 4.249 50 0 EIAARN O=C(N[C@@H]1CCOc2ccccc21)N[C@H]1CCSc2ccccc21 ZINC000045552112 564028534 /nfs/dbraw/zinc/02/85/34/564028534.db2.gz USMNKRPVFNTAEV-CVEARBPZSA-N 0 0 340.448 4.047 50 0 EIAARN COCc1c2ccccc2oc1C(=O)Nc1ccccc1-n1ccnc1 ZINC000045860099 564028721 /nfs/dbraw/zinc/02/87/21/564028721.db2.gz HYDMOLDGRHRRGO-UHFFFAOYSA-N 0 0 347.374 4.017 50 0 EIAARN Cc1ccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)cc1F ZINC000045901397 564028814 /nfs/dbraw/zinc/02/88/14/564028814.db2.gz YMFPONCVLCFKAA-UHFFFAOYSA-N 0 0 339.370 4.386 50 0 EIAARN CC(C)OC(=O)c1nc2ccccc2nc1Nc1cccc(F)c1 ZINC000045901394 564028822 /nfs/dbraw/zinc/02/88/22/564028822.db2.gz LHJQYKULFMRWAC-UHFFFAOYSA-N 0 0 325.343 4.078 50 0 EIAARN Cc1cccc(C2=NC(C)(C)N(C(=O)c3ccc(F)cc3)C2=S)c1 ZINC000045932888 564028923 /nfs/dbraw/zinc/02/89/23/564028923.db2.gz YCQFLFHIBDPWSL-UHFFFAOYSA-N 0 0 340.423 4.143 50 0 EIAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)cc1 ZINC000045967364 564029047 /nfs/dbraw/zinc/02/90/47/564029047.db2.gz WFYVXSXECQZARB-UHFFFAOYSA-N 0 0 335.407 4.206 50 0 EIAARN CCCn1c(=O)oc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21 ZINC000046010222 564029111 /nfs/dbraw/zinc/02/91/11/564029111.db2.gz GSCWMCKILBVXMY-UHFFFAOYSA-N 0 0 345.786 4.302 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)c(C)c1 ZINC000046018249 564029250 /nfs/dbraw/zinc/02/92/50/564029250.db2.gz VXRYKPXOXJLSDT-GOSISDBHSA-N 0 0 347.455 4.277 50 0 EIAARN COCc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000046032701 564029351 /nfs/dbraw/zinc/02/93/51/564029351.db2.gz TXIJPVMWNSYIJY-SFHVURJKSA-N 0 0 328.387 4.341 50 0 EIAARN COc1ccccc1[C@H]1C[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000109536963 564029406 /nfs/dbraw/zinc/02/94/06/564029406.db2.gz KLBZFDXRRPJORR-OLZOCXBDSA-N 0 0 328.318 4.295 50 0 EIAARN C[C@H]1C[C@@H]1c1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)o1 ZINC000048043456 564029897 /nfs/dbraw/zinc/02/98/97/564029897.db2.gz WLERVQQLVFPHQM-WFASDCNBSA-N 0 0 339.395 4.211 50 0 EIAARN C[C@H]1C[C@H]1c1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)o1 ZINC000048236899 564030158 /nfs/dbraw/zinc/03/01/58/564030158.db2.gz HBDRSQDHBKFAQO-WMLDXEAASA-N 0 0 337.423 4.009 50 0 EIAARN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)s1 ZINC000048312675 564031027 /nfs/dbraw/zinc/03/10/27/564031027.db2.gz OWBRHYMHQGGVRX-MRXNPFEDSA-N 0 0 335.494 4.063 50 0 EIAARN O=C(CCCOc1ccccc1F)Nc1cccc(-c2cc[nH]n2)c1 ZINC000048365406 564031480 /nfs/dbraw/zinc/03/14/80/564031480.db2.gz NUWBYWQSFUSLHK-UHFFFAOYSA-N 0 0 339.370 4.014 50 0 EIAARN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048374750 564031699 /nfs/dbraw/zinc/03/16/99/564031699.db2.gz IMHBYQMFUUXUMU-JSGCOSHPSA-N 0 0 338.411 4.029 50 0 EIAARN CCCO[C@H]1CCCN(C(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000062649116 564031925 /nfs/dbraw/zinc/03/19/25/564031925.db2.gz YVVCKQNMPPWGMF-ZDUSSCGKSA-N 0 0 340.851 4.080 50 0 EIAARN O=C(CC1CCCCC1)NCc1ccc(N2CCCCCC2)nc1 ZINC000048934604 564032368 /nfs/dbraw/zinc/03/23/68/564032368.db2.gz ZCGZUPKMRUTLQF-UHFFFAOYSA-N 0 0 329.488 4.049 50 0 EIAARN CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1nc(C2CC2)cs1 ZINC000049657999 564032848 /nfs/dbraw/zinc/03/28/48/564032848.db2.gz WCEPSTRLYGJOGF-UHFFFAOYSA-N 0 0 330.457 4.102 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=S)Nc2ccc(OC(F)F)cc2)[C@@H]1C ZINC000005656991 564032905 /nfs/dbraw/zinc/03/29/05/564032905.db2.gz LIYBYTFQYGQACE-JTNHKYCSSA-N 0 0 328.428 4.399 50 0 EIAARN O=C(Cc1cnn(-c2ccccc2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000014898394 564032919 /nfs/dbraw/zinc/03/29/19/564032919.db2.gz JFTDWHSPPLTHSM-UHFFFAOYSA-N 0 0 345.324 4.072 50 0 EIAARN CCCCOc1ccc(/C=C2\c3ccccc3N(C)C2=O)cc1OC ZINC000006651633 564033295 /nfs/dbraw/zinc/03/32/95/564033295.db2.gz YPJZGCZNPOKSPZ-GHRIWEEISA-N 0 0 337.419 4.391 50 0 EIAARN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000081548865 564033311 /nfs/dbraw/zinc/03/33/11/564033311.db2.gz YDLSQDWRHIWYKT-SUMWQHHRSA-N 0 0 337.423 4.019 50 0 EIAARN CCc1c(C(=O)N[C@H](C)CCC(C)C)cnn1-c1ccc(F)cc1 ZINC000024757305 564033619 /nfs/dbraw/zinc/03/36/19/564033619.db2.gz YREYKRKXUNGQPC-CQSZACIVSA-N 0 0 331.435 4.128 50 0 EIAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942323 564033870 /nfs/dbraw/zinc/03/38/70/564033870.db2.gz CAKVLXNEZCSYJH-UHFFFAOYSA-N 0 0 339.826 4.392 50 0 EIAARN Cc1c(C(=O)N[C@H](C)c2ccccc2C)cnn1-c1cccc(C)c1 ZINC000024830524 564034029 /nfs/dbraw/zinc/03/40/29/564034029.db2.gz KYJISGKCGHCZHB-MRXNPFEDSA-N 0 0 333.435 4.289 50 0 EIAARN COc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000007112578 564034126 /nfs/dbraw/zinc/03/41/26/564034126.db2.gz GNLDITMDXSGTIR-LJQANCHMSA-N 0 0 334.375 4.055 50 0 EIAARN CC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12 ZINC000000807308 564034625 /nfs/dbraw/zinc/03/46/25/564034625.db2.gz ZLVQKDTWVSNOON-UHFFFAOYSA-N 0 0 326.783 4.136 50 0 EIAARN COC(=O)c1c(C)c2ccccc2nc1COc1ccc(C(C)=O)cc1 ZINC000008287634 564035036 /nfs/dbraw/zinc/03/50/36/564035036.db2.gz ZIHRQOBMLAIRLA-UHFFFAOYSA-N 0 0 349.386 4.111 50 0 EIAARN O=C(Nc1ccc2c(c1)CCO2)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000031342632 564035874 /nfs/dbraw/zinc/03/58/74/564035874.db2.gz CZEULTJNHRAFKB-UHFFFAOYSA-N 0 0 332.403 4.234 50 0 EIAARN O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@H]1c1nccs1 ZINC000221228484 564036085 /nfs/dbraw/zinc/03/60/85/564036085.db2.gz JRXCDCCWKFCJGO-KRWDZBQOSA-N 0 0 341.480 4.111 50 0 EIAARN CC(=O)c1sc(N(C(C)=O)c2cccc(C(F)(F)F)c2)nc1C ZINC000221621206 564036300 /nfs/dbraw/zinc/03/63/00/564036300.db2.gz AJCFAPFLXPJZEK-UHFFFAOYSA-N 0 0 342.342 4.358 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1 ZINC000033254306 564036602 /nfs/dbraw/zinc/03/66/02/564036602.db2.gz ZCKLLQLQSGJCBO-UHFFFAOYSA-N 0 0 333.391 4.483 50 0 EIAARN CN(C)c1ccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000033255356 564036625 /nfs/dbraw/zinc/03/66/25/564036625.db2.gz MJEQBQGCBYTVQJ-UHFFFAOYSA-N 0 0 348.450 4.460 50 0 EIAARN C[C@@H](NC(=O)NCc1ccccc1)c1cccc(Br)c1 ZINC000024688637 564036641 /nfs/dbraw/zinc/03/66/41/564036641.db2.gz OMAMUOIYHAWBRX-GFCCVEGCSA-N 0 0 333.229 4.010 50 0 EIAARN C[C@H](CCc1ccccc1)CC(=O)N1c2ccnn2[C@H](C)C[C@@H]1C ZINC000222050107 564036681 /nfs/dbraw/zinc/03/66/81/564036681.db2.gz LDCOVOLPMKTGPD-IXDOHACOSA-N 0 0 325.456 4.228 50 0 EIAARN CCc1n[nH]c2c1CN(C(=O)c1ccccc1-c1cccc(C)c1)CC2 ZINC000222575072 564037035 /nfs/dbraw/zinc/03/70/35/564037035.db2.gz LPRZHKSARDTQSS-UHFFFAOYSA-N 0 0 345.446 4.146 50 0 EIAARN CC(C)(O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)cc2)C1 ZINC000222691903 564037501 /nfs/dbraw/zinc/03/75/01/564037501.db2.gz IBIMEEZMKICJEX-QGZVFWFLSA-N 0 0 341.426 4.116 50 0 EIAARN Cc1nc2cc(NC(=O)CCSCc3ccccc3)ccc2o1 ZINC000225400834 564046454 /nfs/dbraw/zinc/04/64/54/564046454.db2.gz UNUWMILWAXCYSL-UHFFFAOYSA-N 0 0 326.421 4.398 50 0 EIAARN Cn1cc(C2CCN(Cc3ccc(F)c(Cl)c3Cl)CC2)cn1 ZINC000225465139 564047020 /nfs/dbraw/zinc/04/70/20/564047020.db2.gz ZAWBQNIHFZXBNI-UHFFFAOYSA-N 0 0 342.245 4.246 50 0 EIAARN CCO[C@H](c1noc(Cc2csc(CC)n2)n1)c1ccc(C)cc1 ZINC000225600121 564048248 /nfs/dbraw/zinc/04/82/48/564048248.db2.gz DZQHESQMCIQFJQ-KRWDZBQOSA-N 0 0 343.452 4.114 50 0 EIAARN CCSc1cccc(CNc2ccc(C(=O)N(C)C)cc2OC)c1 ZINC000225642887 564048895 /nfs/dbraw/zinc/04/88/95/564048895.db2.gz GMCDAJMMLMKUNB-UHFFFAOYSA-N 0 0 344.480 4.121 50 0 EIAARN COc1cccc(Cl)c1CC(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000225692832 564049434 /nfs/dbraw/zinc/04/94/34/564049434.db2.gz UUYNPWNGEDJTHA-NSHDSACASA-N 0 0 344.798 4.072 50 0 EIAARN CCOc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C ZINC000231431262 564051209 /nfs/dbraw/zinc/05/12/09/564051209.db2.gz DPQFQICMXRPINB-UHFFFAOYSA-N 0 0 347.908 4.232 50 0 EIAARN Cc1cc([C@H](C)NC(=O)N(C)C[C@@H](C)c2nccs2)c(C)s1 ZINC000182169357 564051252 /nfs/dbraw/zinc/05/12/52/564051252.db2.gz FLQDGWXUZZOPKL-PWSUYJOCSA-N 0 0 337.514 4.328 50 0 EIAARN Cc1ccc(C)c(N(C(=O)c2cnn(-c3nccs3)c2)C(C)C)c1 ZINC000241121738 564051879 /nfs/dbraw/zinc/05/18/79/564051879.db2.gz JDQBELCUNKCBIL-UHFFFAOYSA-N 0 0 340.452 4.001 50 0 EIAARN CC(C)(C)SCCCC(=O)Nc1ccc(-c2nncs2)cc1 ZINC000241338575 564051957 /nfs/dbraw/zinc/05/19/57/564051957.db2.gz MBXYISAWVKVWKO-UHFFFAOYSA-N 0 0 335.498 4.456 50 0 EIAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cnoc1-c1ccccc1F ZINC000241588395 564052026 /nfs/dbraw/zinc/05/20/26/564052026.db2.gz PCUZXKCWDFIACZ-UHFFFAOYSA-N 0 0 348.337 4.123 50 0 EIAARN O=C(Nc1ccc(OCc2ccco2)c(Cl)c1)C1CCC(O)CC1 ZINC000241657597 564052072 /nfs/dbraw/zinc/05/20/72/564052072.db2.gz PXOFPJKWZUTIDB-UHFFFAOYSA-N 0 0 349.814 4.002 50 0 EIAARN CC(C)N(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1CCOC1 ZINC000241720925 564052095 /nfs/dbraw/zinc/05/20/95/564052095.db2.gz QTKCZXIJCQJTND-CYBMUJFWSA-N 0 0 333.815 4.240 50 0 EIAARN CC[C@@H](C)[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248249877 564053108 /nfs/dbraw/zinc/05/31/08/564053108.db2.gz RXRURJZOOQSXPI-OAHLLOKOSA-N 0 0 338.430 4.021 50 0 EIAARN Cc1ccc(NC(=O)CCN(C)Cc2csc(C(C)C)n2)cc1C ZINC000252488240 564053400 /nfs/dbraw/zinc/05/34/00/564053400.db2.gz IOAUZQVTTFXNNK-UHFFFAOYSA-N 0 0 345.512 4.344 50 0 EIAARN 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/nfs/dbraw/zinc/06/91/88/564069188.db2.gz HGWXJNZIAFBKFJ-UHFFFAOYSA-N 0 0 348.834 4.086 50 0 EIAARN O=C(Nc1ccccc1-c1cccs1)[C@@H]1COc2ccccc2O1 ZINC000012775424 564069301 /nfs/dbraw/zinc/06/93/01/564069301.db2.gz QYFHVJCPKLCYMW-KRWDZBQOSA-N 0 0 337.400 4.194 50 0 EIAARN CN(Cc1nccs1)C(=O)CCCc1cc(Cl)sc1Cl ZINC000087355574 564069328 /nfs/dbraw/zinc/06/93/28/564069328.db2.gz IVZAUGMFLUUNCE-UHFFFAOYSA-N 0 0 349.308 4.493 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C1(C)C ZINC000084671156 564069573 /nfs/dbraw/zinc/06/95/73/564069573.db2.gz IAHRTAWQLDSBGB-BXUZGUMPSA-N 0 0 346.496 4.475 50 0 EIAARN CC1=NN(c2ccc(C(=O)NCC3CCCCCCC3)cc2)CC1 ZINC000084677942 564069596 /nfs/dbraw/zinc/06/95/96/564069596.db2.gz CIMFQKHJMXNFMD-UHFFFAOYSA-N 0 0 327.472 4.363 50 0 EIAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3C)c(=O)oc2c1 ZINC000012778147 564069709 /nfs/dbraw/zinc/06/97/09/564069709.db2.gz GTVBOTZFHBADFK-UHFFFAOYSA-N 0 0 335.403 4.290 50 0 EIAARN C[C@@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)[C@@H](C)CO1 ZINC000084705530 564069711 /nfs/dbraw/zinc/06/97/11/564069711.db2.gz GCJMTZUUGJVYCA-WDEREUQCSA-N 0 0 331.462 4.365 50 0 EIAARN Cc1cc2ncn([C@@H](C)c3nc(-c4cnn(C)c4)cs3)c2cc1C ZINC000084728295 564069856 /nfs/dbraw/zinc/06/98/56/564069856.db2.gz IFCFTOAROMWHRL-ZDUSSCGKSA-N 0 0 337.452 4.119 50 0 EIAARN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)NCc1ccncc1 ZINC000084734650 564069878 /nfs/dbraw/zinc/06/98/78/564069878.db2.gz MGHBMHRCNTYAQI-LJQANCHMSA-N 0 0 325.456 4.401 50 0 EIAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc2onc(C)c2c1 ZINC000084734528 564069887 /nfs/dbraw/zinc/06/98/87/564069887.db2.gz MAFGBGBKQOLHHM-IEBWSBKVSA-N 0 0 349.434 4.330 50 0 EIAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000012784020 564070156 /nfs/dbraw/zinc/07/01/56/564070156.db2.gz ALAHJCDUXJGVOL-GFCCVEGCSA-N 0 0 342.395 4.355 50 0 EIAARN CCN(C(=O)c1cc2c(s1)CCCCC2)c1ccc(OC)nc1 ZINC000084779626 564070178 /nfs/dbraw/zinc/07/01/78/564070178.db2.gz RSGMTVWPOAMMRO-UHFFFAOYSA-N 0 0 330.453 4.087 50 0 EIAARN C=C1C(Nc2ccccc2C)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000015672031 564070502 /nfs/dbraw/zinc/07/05/02/564070502.db2.gz GCJJNEHOGSVOIW-UHFFFAOYSA-N 0 0 346.839 4.233 50 0 EIAARN CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000005597617 564070516 /nfs/dbraw/zinc/07/05/16/564070516.db2.gz LGOBGUDEHHJNNV-MFLSKIGUSA-N 0 0 331.456 4.192 50 0 EIAARN COc1ccc(F)cc1C[S@@](=O)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000085224251 564072239 /nfs/dbraw/zinc/07/22/39/564072239.db2.gz XGYKIVKLRMDUPD-RULNZOCKSA-N 0 0 339.432 4.130 50 0 EIAARN Cn1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)c2ccccc21 ZINC000085292804 564072449 /nfs/dbraw/zinc/07/24/49/564072449.db2.gz MPKFIAITCAOREW-UHFFFAOYSA-N 0 0 344.374 4.013 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006043511 564072450 /nfs/dbraw/zinc/07/24/50/564072450.db2.gz DHMRQOBYKAEKJZ-UHFFFAOYSA-N 0 0 341.451 4.408 50 0 EIAARN O=c1[n-]c2c(c3ccccc13)[C@H](c1ccccc1)N1C=CC=CC1=[NH+]2 ZINC000012810152 564072557 /nfs/dbraw/zinc/07/25/57/564072557.db2.gz JWLOGJIOBBIUPE-IBGZPJMESA-N 0 0 325.371 4.047 50 0 EIAARN CCCN1c2ccc(NC(=O)CCC3CCCC3)cc2CCC1=O ZINC000015729987 564072591 /nfs/dbraw/zinc/07/25/91/564072591.db2.gz MRKTUOAEUPDYBL-UHFFFAOYSA-N 0 0 328.456 4.285 50 0 EIAARN CN(C(=O)c1noc2c1CCc1sccc1-2)c1cccc(Cl)c1 ZINC000015733203 564072729 /nfs/dbraw/zinc/07/27/29/564072729.db2.gz YWIIEZPZTMCOLA-UHFFFAOYSA-N 0 0 344.823 4.432 50 0 EIAARN C[C@@H](Sc1nnc2n1CCCCC2)c1nc2ccccc2s1 ZINC000012812633 564072903 /nfs/dbraw/zinc/07/29/03/564072903.db2.gz RWBWWNCWTWASKT-LLVKDONJSA-N 0 0 330.482 4.468 50 0 EIAARN COc1ccc(-c2csc(NC(=O)CC3CCCC3)n2)c(OC)c1 ZINC000012812468 564072912 /nfs/dbraw/zinc/07/29/12/564072912.db2.gz AAWNGNYZNVPLCA-UHFFFAOYSA-N 0 0 346.452 4.346 50 0 EIAARN CCc1nc2ccccc2c(C(=O)NCc2ccc(OC)cc2)c1C ZINC000006053938 564073093 /nfs/dbraw/zinc/07/30/93/564073093.db2.gz PKADAWKBQQVVIW-UHFFFAOYSA-N 0 0 334.419 4.044 50 0 EIAARN CC(C)C(=O)Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000012817976 564073187 /nfs/dbraw/zinc/07/31/87/564073187.db2.gz DZGDCOBZPWAKKH-UHFFFAOYSA-N 0 0 340.467 4.292 50 0 EIAARN O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1ccccc1 ZINC000012816541 564073203 /nfs/dbraw/zinc/07/32/03/564073203.db2.gz XVBNREGXVJXHDI-OAHLLOKOSA-N 0 0 339.819 4.005 50 0 EIAARN Cc1nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2s1 ZINC000001465713 564073282 /nfs/dbraw/zinc/07/32/82/564073282.db2.gz HWZRUJCLQLSMAX-UHFFFAOYSA-N 0 0 332.450 4.022 50 0 EIAARN Cc1cccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccc3n2)c1 ZINC000001469219 564073329 /nfs/dbraw/zinc/07/33/29/564073329.db2.gz UZYPQYQHGQGNQB-QGZVFWFLSA-N 0 0 346.430 4.119 50 0 EIAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)Nc1ccccc1 ZINC000085474165 564073602 /nfs/dbraw/zinc/07/36/02/564073602.db2.gz UPTVXRSIGQLUOM-UHFFFAOYSA-N 0 0 342.445 4.362 50 0 EIAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)NCC1CCCCC1 ZINC000006084156 564073639 /nfs/dbraw/zinc/07/36/39/564073639.db2.gz XWVRAWFVSMEKFD-UHFFFAOYSA-N 0 0 341.451 4.387 50 0 EIAARN c1csc(-c2nc(CSc3nnc4n3CCCCC4)co2)c1 ZINC000006097368 564074091 /nfs/dbraw/zinc/07/40/91/564074091.db2.gz OPIINUBVAJXPTR-UHFFFAOYSA-N 0 0 332.454 4.013 50 0 EIAARN C[C@H](Sc1cccc(O)c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000185683336 564074515 /nfs/dbraw/zinc/07/45/15/564074515.db2.gz RINRAXJFCGPUTC-WFASDCNBSA-N 0 0 333.478 4.298 50 0 EIAARN O=C(NCc1cccs1)c1sc2ncccc2c1-n1cccc1 ZINC000015786026 564074767 /nfs/dbraw/zinc/07/47/67/564074767.db2.gz XEVDSAXJQJMRGE-UHFFFAOYSA-N 0 0 339.445 4.079 50 0 EIAARN C[C@H]1CCn2c(nc3cc(C(=O)NC4CCCCCC4)ccc32)C1 ZINC000015786883 564074907 /nfs/dbraw/zinc/07/49/07/564074907.db2.gz DPRKOQAKIXDFNM-AWEZNQCLSA-N 0 0 325.456 4.071 50 0 EIAARN O=C(NCCCc1ccccc1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786952 564074942 /nfs/dbraw/zinc/07/49/42/564074942.db2.gz BRRHQEGWPPJKBD-UHFFFAOYSA-N 0 0 347.462 4.125 50 0 EIAARN O=C(CSc1nnc(-c2ccccc2)o1)Nc1cccc(Cl)c1 ZINC000000411872 564074969 /nfs/dbraw/zinc/07/49/69/564074969.db2.gz MLKPPEFYGVDLOC-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1F)CCCC3 ZINC000002501444 564075006 /nfs/dbraw/zinc/07/50/06/564075006.db2.gz AIGJNKOKUNLBLV-UHFFFAOYSA-N 0 0 341.411 4.149 50 0 EIAARN CC(C)n1nccc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129901945 564075045 /nfs/dbraw/zinc/07/50/45/564075045.db2.gz QGKKWWJLHPWWSH-MRXNPFEDSA-N 0 0 339.439 4.030 50 0 EIAARN O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1F ZINC000012827564 564075089 /nfs/dbraw/zinc/07/50/89/564075089.db2.gz XDIFSGAKFBTPOD-UHFFFAOYSA-N 0 0 329.705 4.011 50 0 EIAARN CC1(C)C[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CCO1 ZINC000085874982 564075159 /nfs/dbraw/zinc/07/51/59/564075159.db2.gz RQSXMUNZCHBRIZ-HNNXBMFYSA-N 0 0 340.467 4.124 50 0 biogenic EIAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000006126774 564075392 /nfs/dbraw/zinc/07/53/92/564075392.db2.gz MJLPBPGPBMUEKR-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN Cc1c(COc2ccccc2)cccc1NCc1nnc(C2CC2)o1 ZINC000086212858 564075395 /nfs/dbraw/zinc/07/53/95/564075395.db2.gz QTHSCJNMQMLDHR-UHFFFAOYSA-N 0 0 335.407 4.447 50 0 EIAARN CC(C)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000012855602 564075494 /nfs/dbraw/zinc/07/54/94/564075494.db2.gz FCXBNZCWHHWNAV-UHFFFAOYSA-N 0 0 336.435 4.185 50 0 EIAARN CCCCC1CCC(C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000012855194 564075495 /nfs/dbraw/zinc/07/54/95/564075495.db2.gz KFXLEQIMSMWBQL-UHFFFAOYSA-N 0 0 348.462 4.219 50 0 EIAARN COc1c(F)cc(NC(=O)N([C@H](C)c2ccco2)C2CC2)cc1F ZINC000086283651 564075521 /nfs/dbraw/zinc/07/55/21/564075521.db2.gz CCLAOXARHVPEIN-SNVBAGLBSA-N 0 0 336.338 4.324 50 0 EIAARN CC(=O)N(C)c1cccc(NC(=O)N([C@H](C)c2ccco2)C2CC2)c1 ZINC000086302081 564075543 /nfs/dbraw/zinc/07/55/43/564075543.db2.gz BSHXMVNJUMLLDF-CYBMUJFWSA-N 0 0 341.411 4.020 50 0 EIAARN Cc1csc([C@H](NC(=O)N([C@H](C)c2ccco2)C2CC2)C2CC2)n1 ZINC000086424502 564075621 /nfs/dbraw/zinc/07/56/21/564075621.db2.gz ISMGKSAGPYIYAM-MLGOLLRUSA-N 0 0 345.468 4.431 50 0 EIAARN CC(C)[C@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1ccncc1 ZINC000086398550 564075635 /nfs/dbraw/zinc/07/56/35/564075635.db2.gz BDQOMXVHPGSWAL-KDOFPFPSSA-N 0 0 327.428 4.307 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)C2CC2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012865321 564075825 /nfs/dbraw/zinc/07/58/25/564075825.db2.gz NIUHNMOVKXFKQC-JTQLQIEISA-N 0 0 331.485 4.134 50 0 EIAARN Cc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2C)s1 ZINC000015840067 564076642 /nfs/dbraw/zinc/07/66/42/564076642.db2.gz YIZLWSXGWLPMAR-UHFFFAOYSA-N 0 0 342.489 4.347 50 0 EIAARN Cc1ccc(NC(=O)C2=CCN(Cc3ccccc3F)CC2)cc1F ZINC000015861018 564076913 /nfs/dbraw/zinc/07/69/13/564076913.db2.gz JQAPUZDXTGNEPS-UHFFFAOYSA-N 0 0 342.389 4.044 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)C1=CCN(Cc2ccccc2F)CC1 ZINC000015861027 564076931 /nfs/dbraw/zinc/07/69/31/564076931.db2.gz OIVFNCRUWQKOQF-UHFFFAOYSA-N 0 0 344.817 4.250 50 0 EIAARN O=C(Nc1ccccc1CCc1nc2ccccc2[nH]1)c1ccco1 ZINC000015863724 564077082 /nfs/dbraw/zinc/07/70/82/564077082.db2.gz IIYPFFVDQMCUNQ-UHFFFAOYSA-N 0 0 331.375 4.193 50 0 EIAARN CCn1c(=O)c2ccccc2nc1S[C@@H](C)c1ccc(F)cc1 ZINC000006172471 564077223 /nfs/dbraw/zinc/07/72/23/564077223.db2.gz ZWROHOHDLNHUKE-LBPRGKRZSA-N 0 0 328.412 4.409 50 0 EIAARN CCc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(C)cc2)c1 ZINC000015883119 564077447 /nfs/dbraw/zinc/07/74/47/564077447.db2.gz AOWFFQGLNGNKRB-UHFFFAOYSA-N 0 0 346.430 4.020 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000012886479 564077499 /nfs/dbraw/zinc/07/74/99/564077499.db2.gz OTKBGTLTFFWPBY-MRXNPFEDSA-N 0 0 339.435 4.152 50 0 EIAARN Cc1nc(CSc2ccccc2C(=O)NC2CCCCCC2)no1 ZINC000012888488 564077503 /nfs/dbraw/zinc/07/75/03/564077503.db2.gz PBPFABZXWYVLCI-UHFFFAOYSA-N 0 0 345.468 4.123 50 0 EIAARN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1Cl ZINC000012889088 564077551 /nfs/dbraw/zinc/07/75/51/564077551.db2.gz STCDQRRQNBCMON-LBPRGKRZSA-N 0 0 342.826 4.180 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCSc3c(F)cccc32)c1 ZINC000012899619 564077687 /nfs/dbraw/zinc/07/76/87/564077687.db2.gz BMFYQJFYZDKKFP-DYVFJYSZSA-N 0 0 345.439 4.255 50 0 EIAARN COc1cccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c1 ZINC000012909993 564077864 /nfs/dbraw/zinc/07/78/64/564077864.db2.gz QRPHTOVYMTZIOJ-UHFFFAOYSA-N 0 0 335.359 4.410 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)CN(C)Cc1ccc2ccccc2c1 ZINC000012914618 564078025 /nfs/dbraw/zinc/07/80/25/564078025.db2.gz LQOUKCWROJXBQF-SFHVURJKSA-N 0 0 346.474 4.457 50 0 EIAARN COc1ccc([C@@H]2CCCN2Cc2cc(C(C)=O)ccc2OC)cc1 ZINC000012915413 564078116 /nfs/dbraw/zinc/07/81/16/564078116.db2.gz FOUBXFLQEKTNTG-FQEVSTJZSA-N 0 0 339.435 4.244 50 0 EIAARN COc1ccccc1-c1noc2ncnc(Nc3cccc(C)c3)c12 ZINC000015934711 564078356 /nfs/dbraw/zinc/07/83/56/564078356.db2.gz KUNDDZPMJFKTIF-UHFFFAOYSA-N 0 0 332.363 4.345 50 0 EIAARN COc1cccc(Nc2ncnc3onc(-c4ccccc4OC)c32)c1 ZINC000015934722 564078357 /nfs/dbraw/zinc/07/83/57/564078357.db2.gz KVGDOKJHVYRBMG-UHFFFAOYSA-N 0 0 348.362 4.046 50 0 EIAARN O=C(CSc1ccc2ccccc2n1)NCc1ccccc1Cl ZINC000005627378 564078647 /nfs/dbraw/zinc/07/86/47/564078647.db2.gz NICIHSDLRYJNBF-UHFFFAOYSA-N 0 0 342.851 4.297 50 0 EIAARN CC[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(C)cc1 ZINC000012933026 564078957 /nfs/dbraw/zinc/07/89/57/564078957.db2.gz QSPRCYNLGQEUDT-AEFFLSMTSA-N 0 0 329.827 4.219 50 0 EIAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000012935889 564079259 /nfs/dbraw/zinc/07/92/59/564079259.db2.gz XFVISXMYPPKEJF-LJQANCHMSA-N 0 0 338.451 4.088 50 0 EIAARN O=C(Cc1csc(-c2ccsc2)n1)N[C@H]1CCCc2occc21 ZINC000012936466 564079303 /nfs/dbraw/zinc/07/93/03/564079303.db2.gz IKOYYOHUKKXUCM-AWEZNQCLSA-N 0 0 344.461 4.201 50 0 EIAARN COc1ccc2cc(NC(=O)[C@H](CC(C)C)n3cccc3)cnc2c1 ZINC000575443338 564079507 /nfs/dbraw/zinc/07/95/07/564079507.db2.gz UGZXCGAKFXLNOP-IBGZPJMESA-N 0 0 337.423 4.271 50 0 EIAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000016086526 564079629 /nfs/dbraw/zinc/07/96/29/564079629.db2.gz HRGLUQIBHSTGQV-MRVPVSSYSA-N 0 0 336.265 4.094 50 0 EIAARN COC(=O)CC1(Nc2nc(C(F)F)nc3ccccc32)CCCCC1 ZINC000075091875 564079911 /nfs/dbraw/zinc/07/99/11/564079911.db2.gz YSFGXMKSXWVTIW-UHFFFAOYSA-N 0 0 349.381 4.245 50 0 EIAARN O=C(Nc1ccc(F)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1 ZINC000075094178 564079932 /nfs/dbraw/zinc/07/99/32/564079932.db2.gz IHYFPIFKLUIKDK-KRWDZBQOSA-N 0 0 348.805 4.209 50 0 EIAARN CC[C@H](C(=O)N(C)Cc1nc2ccccc2s1)c1c(C)noc1C ZINC000075126583 564080383 /nfs/dbraw/zinc/08/03/83/564080383.db2.gz DXASUEVVTHVCGN-ZDUSSCGKSA-N 0 0 343.452 4.053 50 0 EIAARN C[C@H](NC(=O)/C=C/c1ccsc1)c1nc(-c2cccnc2)cs1 ZINC000075136705 564080484 /nfs/dbraw/zinc/08/04/84/564080484.db2.gz QNJIKFSIIVXQKR-ITKZLYELSA-N 0 0 341.461 4.157 50 0 EIAARN O=C(NCc1cccs1)N(CCc1cccs1)Cc1ccco1 ZINC000075154770 564080810 /nfs/dbraw/zinc/08/08/10/564080810.db2.gz QTGYYIPGVSNALW-UHFFFAOYSA-N 0 0 346.477 4.357 50 0 EIAARN O=S(=O)(c1ccc(Cl)s1)N1CCC(c2cccs2)CC1 ZINC000075157069 564080878 /nfs/dbraw/zinc/08/08/78/564080878.db2.gz OOMFYTZNZYAKDW-UHFFFAOYSA-N 0 0 347.914 4.031 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)N1CCC(c2ccsc2)CC1 ZINC000075157180 564080928 /nfs/dbraw/zinc/08/09/28/564080928.db2.gz HPBBQLUGSUMSKA-UHFFFAOYSA-N 0 0 334.872 4.491 50 0 EIAARN O=C(c1cc(C2CC2)on1)N(Cc1ccsc1)Cc1ccco1 ZINC000075170172 564081017 /nfs/dbraw/zinc/08/10/17/564081017.db2.gz NPLRDBKOLFYEOI-UHFFFAOYSA-N 0 0 328.393 4.049 50 0 EIAARN O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2cccs2)C1 ZINC000075165877 564081020 /nfs/dbraw/zinc/08/10/20/564081020.db2.gz CKLXUCIFHRVCAK-GJZGRUSLSA-N 0 0 344.436 4.038 50 0 EIAARN O=C([C@H]1CC=CCC1)N(CCc1cccs1)Cc1cccnc1 ZINC000075170155 564081038 /nfs/dbraw/zinc/08/10/38/564081038.db2.gz OBRJFOUEFWWQIO-KRWDZBQOSA-N 0 0 326.465 4.071 50 0 EIAARN Cc1ccc(NC(=O)Cc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000006189706 564081106 /nfs/dbraw/zinc/08/11/06/564081106.db2.gz COOMRBPEWMYSTC-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN CC(C)Cc1ccc([C@H](C)c2nnc3c(=O)[nH]c4ccccc4n32)cc1 ZINC000075251672 564081201 /nfs/dbraw/zinc/08/12/01/564081201.db2.gz YGRDTDDEZWWMHZ-AWEZNQCLSA-N 0 0 346.434 4.333 50 0 EIAARN Cc1cccc(Nc2nc3nonc3nc2NC2CCCCC2)c1C ZINC000075273721 564081298 /nfs/dbraw/zinc/08/12/98/564081298.db2.gz NMUSMCPPMVGEAY-UHFFFAOYSA-N 0 0 338.415 4.118 50 0 EIAARN CC[C@@H](O)c1ccc(OCc2ncc(-c3ccccc3OC)o2)cc1 ZINC000089126982 564081723 /nfs/dbraw/zinc/08/17/23/564081723.db2.gz WJQSWBVHRISHAK-QGZVFWFLSA-N 0 0 339.391 4.373 50 0 EIAARN Cc1ccc(CNC(=O)c2cc3ccc4ccc(C)nc4c3[nH]2)cc1 ZINC000075346758 564081960 /nfs/dbraw/zinc/08/19/60/564081960.db2.gz NLIBSZKFVXZWGQ-UHFFFAOYSA-N 0 0 329.403 4.263 50 0 EIAARN Cc1ccc(NC(=O)NCC[C@@H](CCO)c2ccsc2)cc1C ZINC000575606881 564082384 /nfs/dbraw/zinc/08/23/84/564082384.db2.gz KQXPTRUBRASMSI-HNNXBMFYSA-N 0 0 332.469 4.043 50 0 EIAARN CSc1cccc(NC(=O)c2n[nH]nc2-c2cccc(Cl)c2)c1 ZINC000575607809 564082416 /nfs/dbraw/zinc/08/24/16/564082416.db2.gz PBRGXUVSOZIJLT-UHFFFAOYSA-N 0 0 344.827 4.099 50 0 EIAARN O=C(NCc1ccc(-c2ccco2)o1)c1cccc(C(F)(F)F)c1 ZINC000575609114 564082478 /nfs/dbraw/zinc/08/24/78/564082478.db2.gz OQQOOGBLYOVGOG-UHFFFAOYSA-N 0 0 335.281 4.488 50 0 EIAARN O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2cccs2)o1 ZINC000575609643 564082527 /nfs/dbraw/zinc/08/25/27/564082527.db2.gz ZIUBNMHIQQHPMK-UHFFFAOYSA-N 0 0 347.823 4.357 50 0 EIAARN Cc1cc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)c(C)o1 ZINC000575609783 564082568 /nfs/dbraw/zinc/08/25/68/564082568.db2.gz GYNUJHFCHMOVCB-SFHVURJKSA-N 0 0 341.432 4.088 50 0 EIAARN CCOc1ccc(CC(=O)NCc2ccc(-c3ccsc3)o2)cc1 ZINC000575611883 564082678 /nfs/dbraw/zinc/08/26/78/564082678.db2.gz ZQXHBHMLNBFYCV-UHFFFAOYSA-N 0 0 341.432 4.266 50 0 EIAARN CC(=O)c1sc(NC(=O)Cc2ccsc2)nc1-c1ccccc1 ZINC000006235324 564083154 /nfs/dbraw/zinc/08/31/54/564083154.db2.gz OUCFMTAEFNFWHX-UHFFFAOYSA-N 0 0 342.445 4.255 50 0 EIAARN C[C@@H]1CCC[C@H](C)N1C(=O)CCCCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000006250082 564083228 /nfs/dbraw/zinc/08/32/28/564083228.db2.gz UFQWQGQEWQONBQ-USTZCAOPSA-N 0 0 336.520 4.126 50 0 EIAARN Cc1sc(NC(=O)c2ccccc2F)c(C(=O)OC(C)C)c1C ZINC000006254939 564083254 /nfs/dbraw/zinc/08/32/54/564083254.db2.gz PQXOPYVELMCXPT-UHFFFAOYSA-N 0 0 335.400 4.322 50 0 EIAARN CC(C)=CCSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000006256896 564083313 /nfs/dbraw/zinc/08/33/13/564083313.db2.gz DDTPGTWKFAPXJW-GFCCVEGCSA-N 0 0 341.477 4.350 50 0 EIAARN COCc1nc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cs1 ZINC000063981179 564083364 /nfs/dbraw/zinc/08/33/64/564083364.db2.gz JIBJSUQZHJCXGR-UHFFFAOYSA-N 0 0 345.449 4.029 50 0 EIAARN O=C(OCc1noc(C2CC2)n1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000063988732 564083453 /nfs/dbraw/zinc/08/34/53/564083453.db2.gz GMXUCLZSBZAXBS-UHFFFAOYSA-N 0 0 349.799 4.014 50 0 EIAARN Cc1noc(C)c1COc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000006284167 564083575 /nfs/dbraw/zinc/08/35/75/564083575.db2.gz DWYUZAYXVHUKQZ-UHFFFAOYSA-N 0 0 342.439 4.323 50 0 EIAARN Cc1ccc(C2=NC(=CNc3ccc(Cl)cc3C)C(=O)O2)cc1 ZINC000006300996 564083733 /nfs/dbraw/zinc/08/37/33/564083733.db2.gz PQUYSMRTGGGBCB-YBEGLDIGSA-N 0 0 326.783 4.214 50 0 EIAARN O=C(NCc1cncc(-c2ccoc2)c1)c1c(F)cccc1Cl ZINC000575621354 564083976 /nfs/dbraw/zinc/08/39/76/564083976.db2.gz VOWAZDQKQYJUTL-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN Cc1csc(SCC2CCN(C(=O)c3cccs3)CC2)n1 ZINC000090608109 564084911 /nfs/dbraw/zinc/08/49/11/564084911.db2.gz LPSCPNMHJCSNSZ-UHFFFAOYSA-N 0 0 338.523 4.158 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)N(Cc1ccoc1)Cc1cccs1 ZINC000090612129 564085080 /nfs/dbraw/zinc/08/50/80/564085080.db2.gz JDPOSGQNHRKYHA-OAHLLOKOSA-N 0 0 341.432 4.337 50 0 EIAARN CCOc1ccccc1NC(=O)c1ccc(Br)cc1F ZINC000006355808 564085285 /nfs/dbraw/zinc/08/52/85/564085285.db2.gz ZMRVLOWYMPHBRF-UHFFFAOYSA-N 0 0 338.176 4.239 50 0 EIAARN FC(F)(F)c1cccc(N2C(=S)N=NC2CCc2ccccc2)c1 ZINC000006402876 564085594 /nfs/dbraw/zinc/08/55/94/564085594.db2.gz RDKKNFYANPZRPK-UHFFFAOYSA-N 0 0 349.381 4.360 50 0 EIAARN CCCc1nc2cc(CCC(=O)Nc3ccc(F)c(F)c3)ccc2[nH]1 ZINC000075465681 564085936 /nfs/dbraw/zinc/08/59/36/564085936.db2.gz WVHGOUWEWFABLG-UHFFFAOYSA-N 0 0 343.377 4.365 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccsc1 ZINC000013005623 564086379 /nfs/dbraw/zinc/08/63/79/564086379.db2.gz OMYOYEOZZRKIOA-UHFFFAOYSA-N 0 0 328.418 4.059 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)CCSc3ccccc3)cnc21 ZINC000013016612 564086813 /nfs/dbraw/zinc/08/68/13/564086813.db2.gz ATWHNCSIMHKNJO-UHFFFAOYSA-N 0 0 340.452 4.133 50 0 EIAARN Cc1ccc(CNC(=O)CCc2conc2-c2ccc(F)cc2)cc1 ZINC000075510452 564087363 /nfs/dbraw/zinc/08/73/63/564087363.db2.gz YBRPNGVYLXBGNB-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN Fc1c(F)c(F)c(N=NCc2ccnc3ccccc23)c(F)c1F ZINC000020031317 564087593 /nfs/dbraw/zinc/08/75/93/564087593.db2.gz VQBGSBVVGUUAEJ-UHFFFAOYSA-N 0 0 337.251 4.376 50 0 EIAARN O=C(COc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000168764 564087596 /nfs/dbraw/zinc/08/75/96/564087596.db2.gz AAWIEDSRWFRBSM-UHFFFAOYSA-N 0 0 329.705 4.376 50 0 EIAARN Cc1sc(-c2cc[nH]n2)cc1NC(=O)c1nccc2ccccc21 ZINC000075519311 564087615 /nfs/dbraw/zinc/08/76/15/564087615.db2.gz BWINVMQUTJJJNK-UHFFFAOYSA-N 0 0 334.404 4.247 50 0 EIAARN COc1ccc(-c2c/c(=N\CCCO)c3c(C)cc(C)cc3o2)cc1 ZINC000001791685 564087688 /nfs/dbraw/zinc/08/76/88/564087688.db2.gz YNOIYOJSKDGFKR-RELWKKBWSA-N 0 0 337.419 4.008 50 0 EIAARN COc1cccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)c1 ZINC000006451762 564087759 /nfs/dbraw/zinc/08/77/59/564087759.db2.gz UCNRARVCOWDDRR-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2CCCC2=C2CCC[C@H]23)c(C)c1 ZINC000239328973 564088082 /nfs/dbraw/zinc/08/80/82/564088082.db2.gz JYCRFHOUJNWOOZ-HNBVOPMISA-N 0 0 335.447 4.319 50 0 EIAARN Cc1ccc(-c2cnc(CNC(=O)Nc3cccnc3Cl)o2)cc1 ZINC000075539164 564088084 /nfs/dbraw/zinc/08/80/84/564088084.db2.gz QIAZLQFGQZKYGA-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000242196984 564088473 /nfs/dbraw/zinc/08/84/73/564088473.db2.gz XGRVPMCVBKYGMQ-MIZPHKNDSA-N 0 0 347.458 4.287 50 0 EIAARN Cc1[nH]nc(NC(=O)[C@H](C)Oc2ccccc2)c1-c1cccc(C)c1 ZINC000075544464 564088544 /nfs/dbraw/zinc/08/85/44/564088544.db2.gz SITGJNBHJYTQHI-HNNXBMFYSA-N 0 0 335.407 4.100 50 0 EIAARN CCOc1ccccc1C1=CCN(C(=O)Nc2cnccc2C)CC1 ZINC000089279428 564088686 /nfs/dbraw/zinc/08/86/86/564088686.db2.gz WNGZRPDDHOBKCT-UHFFFAOYSA-N 0 0 337.423 4.110 50 0 EIAARN O=C(OCc1cccc(Cl)c1)c1cc(-c2ccccc2F)no1 ZINC000028578880 564088946 /nfs/dbraw/zinc/08/89/46/564088946.db2.gz RYCQKQGDTHGZHP-UHFFFAOYSA-N 0 0 331.730 4.491 50 0 EIAARN COc1ccc(CC(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1 ZINC000001898866 564089164 /nfs/dbraw/zinc/08/91/64/564089164.db2.gz PQQDNUUDXLYLJD-UHFFFAOYSA-N 0 0 337.419 4.451 50 0 EIAARN Cc1ccc(NCC(=O)Nc2ccnn2C2CCCC2)c(Cl)c1 ZINC000075568218 564089565 /nfs/dbraw/zinc/08/95/65/564089565.db2.gz HHIRKYGUYVAXIH-UHFFFAOYSA-N 0 0 332.835 4.011 50 0 EIAARN C[C@@H](NC(=O)N(C)[C@@H](C)c1cccnc1)C(C)(C)c1ccccc1 ZINC000075582600 564089694 /nfs/dbraw/zinc/08/96/94/564089694.db2.gz MEDWFALGFGYFMQ-JKSUJKDBSA-N 0 0 325.456 4.150 50 0 EIAARN Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)Cc2ccsc2)s1 ZINC000075606879 564089792 /nfs/dbraw/zinc/08/97/92/564089792.db2.gz HVGCUVBPTOWEDC-PWSUYJOCSA-N 0 0 337.514 4.155 50 0 EIAARN CN(Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1ccccc1F ZINC000089356037 564089811 /nfs/dbraw/zinc/08/98/11/564089811.db2.gz IILHQBLLUPDWIS-IBGZPJMESA-N 0 0 329.415 4.016 50 0 EIAARN Cc1ncc(C(=O)N(CC(C)C)CC(F)(F)F)c(Cl)c1Cl ZINC000089505450 564090896 /nfs/dbraw/zinc/09/08/96/564090896.db2.gz OCDSKJICEGSPHT-UHFFFAOYSA-N 0 0 343.176 4.357 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000006509711 564091232 /nfs/dbraw/zinc/09/12/32/564091232.db2.gz XYWZZIVCASSAOE-UHFFFAOYSA-N 0 0 337.297 4.134 50 0 EIAARN O=C(c1cnc2ccccc2c1Nc1ccccc1)N1CCSCC1 ZINC000064471723 564091481 /nfs/dbraw/zinc/09/14/81/564091481.db2.gz RITLWYDVFAZHLY-UHFFFAOYSA-N 0 0 349.459 4.167 50 0 EIAARN O=C(Nc1cccc(Cl)c1N1CCCC1)C(Cl)(Cl)Cl ZINC000006547961 564091859 /nfs/dbraw/zinc/09/18/59/564091859.db2.gz PBIVENOFQQVBQD-UHFFFAOYSA-N 0 0 342.053 4.249 50 0 EIAARN CC(C)(C)n1ncc(NCC2(c3ccccc3)CCC2)c(Cl)c1=O ZINC000064537801 564092114 /nfs/dbraw/zinc/09/21/14/564092114.db2.gz ZLMJWMOYQKAJBU-UHFFFAOYSA-N 0 0 345.874 4.186 50 0 EIAARN CCc1sc(C(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1C ZINC000013105548 564092158 /nfs/dbraw/zinc/09/21/58/564092158.db2.gz GSFAMCFVRSJFQH-UHFFFAOYSA-N 0 0 342.420 4.334 50 0 EIAARN COc1ccc(-c2cncc(C(=O)Nc3ccccc3OC)c2)cc1 ZINC000064568287 564092248 /nfs/dbraw/zinc/09/22/48/564092248.db2.gz DGLYQWRUQNCMOC-UHFFFAOYSA-N 0 0 334.375 4.018 50 0 EIAARN COC(=O)c1c(-c2ccc(-c3ccccc3)cc2)cn2c1SCC2=O ZINC000006588749 564092353 /nfs/dbraw/zinc/09/23/53/564092353.db2.gz GVLUGMMWMXTIMX-UHFFFAOYSA-N 0 0 349.411 4.355 50 0 EIAARN CCOc1ccc(CC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000064579973 564092435 /nfs/dbraw/zinc/09/24/35/564092435.db2.gz UWHYENVJYUFGBQ-IBGZPJMESA-N 0 0 327.399 4.131 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000064580986 564092514 /nfs/dbraw/zinc/09/25/14/564092514.db2.gz GXAISZSPXHSPNZ-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN Cc1noc(C)c1N(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000089532481 564092674 /nfs/dbraw/zinc/09/26/74/564092674.db2.gz QHRNPECRIZAYSO-UHFFFAOYSA-N 0 0 328.372 4.224 50 0 EIAARN Cc1nc(-c2cccc(NCc3ccc([S@@](C)=O)cc3)c2)oc1C ZINC000089558681 564092845 /nfs/dbraw/zinc/09/28/45/564092845.db2.gz JWNLWZRCIHOWNR-DEOSSOPVSA-N 0 0 340.448 4.308 50 0 EIAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(F)cc2)s1 ZINC000006604126 564093032 /nfs/dbraw/zinc/09/30/32/564093032.db2.gz BJSKYXXFXQOHLP-UHFFFAOYSA-N 0 0 338.429 4.045 50 0 EIAARN C[C@H](NC(=O)c1cccc(-c2cnn3cccnc23)c1)C1=CCCCC1 ZINC000426399204 564093604 /nfs/dbraw/zinc/09/36/04/564093604.db2.gz KHTRSLVHRXBFOB-HNNXBMFYSA-N 0 0 346.434 4.015 50 0 EIAARN Cn1ccnc1-c1cccc(C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)c1 ZINC000426530900 564094037 /nfs/dbraw/zinc/09/40/37/564094037.db2.gz QEEXWNKYOKMKMS-OALUTQOASA-N 0 0 349.478 4.199 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)N(C)CCCSc2ccccc2)cn1 ZINC000426628651 564094265 /nfs/dbraw/zinc/09/42/65/564094265.db2.gz AEAPQYCORVNBAK-INIZCTEOSA-N 0 0 343.496 4.275 50 0 EIAARN CCOc1ncccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006613090 564094516 /nfs/dbraw/zinc/09/45/16/564094516.db2.gz SDNJWBWUMIIBRP-UHFFFAOYSA-N 0 0 348.402 4.312 50 0 EIAARN Cc1cc(C(F)F)nc2sc3c(c21)N[C@H](c1ccccc1)NC3=O ZINC000006613249 564094528 /nfs/dbraw/zinc/09/45/28/564094528.db2.gz BHDNMFHCAFPTLB-HNNXBMFYSA-N 0 0 345.374 4.396 50 0 EIAARN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000006626213 564094681 /nfs/dbraw/zinc/09/46/81/564094681.db2.gz KFMQCNWQRVWJMP-SECBINFHSA-N 0 0 348.226 4.172 50 0 EIAARN COc1ccc(OCc2ccc(C(=O)Nc3ccccc3C)o2)cc1 ZINC000064658606 564094724 /nfs/dbraw/zinc/09/47/24/564094724.db2.gz MRBMXJBDSMOMGJ-UHFFFAOYSA-N 0 0 337.375 4.428 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NCc3ccccc3C)cc3cccc(c32)O1 ZINC000064657960 564094809 /nfs/dbraw/zinc/09/48/09/564094809.db2.gz OCSGDOMAFBPFII-KRWDZBQOSA-N 0 0 334.419 4.051 50 0 EIAARN Cc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1 ZINC000064667219 564094934 /nfs/dbraw/zinc/09/49/34/564094934.db2.gz AKFOIPCAJIAGPJ-INIZCTEOSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1cccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000064667240 564094948 /nfs/dbraw/zinc/09/49/48/564094948.db2.gz FKDNEGDPHRGICM-MRXNPFEDSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000064667299 564094968 /nfs/dbraw/zinc/09/49/68/564094968.db2.gz RRBSWLSZDNSZOD-INIZCTEOSA-N 0 0 337.810 4.308 50 0 EIAARN CCc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000064667261 564094970 /nfs/dbraw/zinc/09/49/70/564094970.db2.gz WSAAECJENVSXBI-KRWDZBQOSA-N 0 0 335.382 4.048 50 0 EIAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@H]3c2ccccc2Cl)cc1 ZINC000064667294 564094979 /nfs/dbraw/zinc/09/49/79/564094979.db2.gz ARVJFQAFDFXEDL-HNNXBMFYSA-N 0 0 337.810 4.308 50 0 EIAARN O=C(CC1CCCC1)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000064678087 564095335 /nfs/dbraw/zinc/09/53/35/564095335.db2.gz UDETWMREAQIAJX-UHFFFAOYSA-N 0 0 333.447 4.414 50 0 EIAARN CCc1cccc2c(C(=O)CSc3nc(C)c(C)c(C)n3)c[nH]c21 ZINC000006653989 564095470 /nfs/dbraw/zinc/09/54/70/564095470.db2.gz GOHPZCIAMQGGIZ-UHFFFAOYSA-N 0 0 339.464 4.421 50 0 EIAARN CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c2ccccc12 ZINC000006667912 564095685 /nfs/dbraw/zinc/09/56/85/564095685.db2.gz ZEENWVIQNBKDIF-PBHICJAKSA-N 0 0 347.480 4.096 50 0 EIAARN CC(C)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000006705469 564096256 /nfs/dbraw/zinc/09/62/56/564096256.db2.gz PPSJBXSSNZKHSE-LJQANCHMSA-N 0 0 340.448 4.060 50 0 EIAARN CC(C)CC(=O)N(Cc1nccn1Cc1cccc(Cl)c1)C1CC1 ZINC000006723338 564096430 /nfs/dbraw/zinc/09/64/30/564096430.db2.gz WGDPRAAPKIHNBO-UHFFFAOYSA-N 0 0 345.874 4.122 50 0 EIAARN COc1ccc(Nc2ncnc3c(-c4ccccc4)noc32)cc1OC ZINC000064820815 564096598 /nfs/dbraw/zinc/09/65/98/564096598.db2.gz LAOVMZMOZBCGGB-UHFFFAOYSA-N 0 0 348.362 4.046 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1nc(SC(C)C)ncc1Cl ZINC000006748064 564096950 /nfs/dbraw/zinc/09/69/50/564096950.db2.gz KUKNTWNRWLTOFW-UHFFFAOYSA-N 0 0 335.860 4.500 50 0 EIAARN Cc1ccc2c(c1)Cc1c(=O)[nH]c(-c3cc(Cl)ccc3O)nc1O2 ZINC000006748477 564097020 /nfs/dbraw/zinc/09/70/20/564097020.db2.gz UKIXMVBVFDUITH-UHFFFAOYSA-N 0 0 340.766 4.213 50 0 EIAARN CCc1ccc(NC(=O)c2n[nH]c3c2CSc2ccccc2-3)cc1 ZINC000006748604 564097081 /nfs/dbraw/zinc/09/70/81/564097081.db2.gz GBGOGEQSWDZSHY-UHFFFAOYSA-N 0 0 335.432 4.497 50 0 EIAARN C[C@H](CNc1nc2ccc(Cl)cc2n2cnnc12)c1ccccc1 ZINC000006752079 564097212 /nfs/dbraw/zinc/09/72/12/564097212.db2.gz WJGWARRCZWGCPU-GFCCVEGCSA-N 0 0 337.814 4.147 50 0 EIAARN Cc1cccc2c1cnn2C(=O)Nc1ccc(Br)c(C)c1 ZINC000006768828 564097477 /nfs/dbraw/zinc/09/74/77/564097477.db2.gz PQRXFZOJOOQJHU-UHFFFAOYSA-N 0 0 344.212 4.496 50 0 EIAARN CC(C)c1c(C(=O)N2CCCCC2)c(C2CC2)nn1-c1ccccc1 ZINC000006771579 564097494 /nfs/dbraw/zinc/09/74/94/564097494.db2.gz XFPGSBINHMETLG-UHFFFAOYSA-N 0 0 337.467 4.499 50 0 EIAARN CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000006785736 564097722 /nfs/dbraw/zinc/09/77/22/564097722.db2.gz PATHSCLOCSCHLN-UHFFFAOYSA-N 0 0 330.236 4.209 50 0 EIAARN CCc1ccc(NC(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000006785787 564097726 /nfs/dbraw/zinc/09/77/26/564097726.db2.gz SESGLKCKHFJWPD-UHFFFAOYSA-N 0 0 337.467 4.213 50 0 EIAARN CCSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl ZINC000006788201 564097805 /nfs/dbraw/zinc/09/78/05/564097805.db2.gz QJUBLCUNUWWOKT-UHFFFAOYSA-N 0 0 330.840 4.210 50 0 EIAARN CC(C)[C@H](NC(=O)c1cccc(F)c1)c1ccc2c(c1)OCCCO2 ZINC000006789988 564097896 /nfs/dbraw/zinc/09/78/96/564097896.db2.gz AQRSOSKZIZNIOS-IBGZPJMESA-N 0 0 343.398 4.114 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cccc(OC(F)F)c1 ZINC000006789751 564097912 /nfs/dbraw/zinc/09/79/12/564097912.db2.gz ZOZKQRUGIDIMGI-UHFFFAOYSA-N 0 0 348.374 4.170 50 0 EIAARN O=C(c1cc(F)c(F)cc1Cl)N1CCC(c2nccs2)CC1 ZINC000370784444 564097980 /nfs/dbraw/zinc/09/79/80/564097980.db2.gz WTLZZYWCUVHIQO-UHFFFAOYSA-N 0 0 342.798 4.095 50 0 EIAARN Cc1ccc(C)c(NC(=O)CCCn2sc3ccccc3c2=O)c1 ZINC000006800159 564098183 /nfs/dbraw/zinc/09/81/83/564098183.db2.gz GXFUOKPQUIUFLT-UHFFFAOYSA-N 0 0 340.448 4.099 50 0 EIAARN O=C(NC1CCCCCC1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006806972 564098331 /nfs/dbraw/zinc/09/83/31/564098331.db2.gz VEIYRRIBNQDUHN-UHFFFAOYSA-N 0 0 348.450 4.116 50 0 EIAARN Cc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)cc1C ZINC000006804386 564098333 /nfs/dbraw/zinc/09/83/33/564098333.db2.gz MQFJMRWILGXGNX-UHFFFAOYSA-N 0 0 346.430 4.311 50 0 EIAARN O=C(Nc1cccc(F)c1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006806984 564098341 /nfs/dbraw/zinc/09/83/41/564098341.db2.gz IAAACABDLGJIFC-UHFFFAOYSA-N 0 0 346.365 4.054 50 0 EIAARN CCSc1ncc(Cl)c(C(=O)Oc2ccc(Cl)cc2)n1 ZINC000006810460 564098451 /nfs/dbraw/zinc/09/84/51/564098451.db2.gz KYCNGDFWZRMRNK-UHFFFAOYSA-N 0 0 329.208 4.115 50 0 EIAARN O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccc(Cl)cc1 ZINC000006810803 564098588 /nfs/dbraw/zinc/09/85/88/564098588.db2.gz ILGKDPNDTCSDKQ-UHFFFAOYSA-N 0 0 345.761 4.100 50 0 EIAARN C[C@H](NC(=O)c1nn(C)c2c1CSc1ccccc1-2)c1ccccc1 ZINC000006817727 564098760 /nfs/dbraw/zinc/09/87/60/564098760.db2.gz YCUGUHKRAUIJAV-ZDUSSCGKSA-N 0 0 349.459 4.184 50 0 EIAARN Cc1ccc2c(CC(=O)Nc3nc(-c4cccnc4)cs3)coc2c1 ZINC000006831035 564099147 /nfs/dbraw/zinc/09/91/47/564099147.db2.gz UNHHZPQFGPVKLC-UHFFFAOYSA-N 0 0 349.415 4.441 50 0 EIAARN O=C(Nc1nc(-c2ccccn2)cs1)Nc1ccc(F)cc1F ZINC000006831153 564099164 /nfs/dbraw/zinc/09/91/64/564099164.db2.gz LGGVJHCTAUPYSX-UHFFFAOYSA-N 0 0 332.335 4.127 50 0 EIAARN Cc1ccc2c(CC(=O)Nc3nc(-c4ccncc4)cs3)coc2c1 ZINC000006830895 564099169 /nfs/dbraw/zinc/09/91/69/564099169.db2.gz QKHJRRACABUANE-UHFFFAOYSA-N 0 0 349.415 4.441 50 0 EIAARN CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2C)cc1 ZINC000006837233 564099288 /nfs/dbraw/zinc/09/92/88/564099288.db2.gz UEHCRFRYXCRUHV-LJQANCHMSA-N 0 0 340.448 4.040 50 0 EIAARN CC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 ZINC000006836395 564099298 /nfs/dbraw/zinc/09/92/98/564099298.db2.gz FULHLIRZLOFGDO-IBGZPJMESA-N 0 0 340.448 4.040 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc2c1SCCC2=O ZINC000006841632 564099381 /nfs/dbraw/zinc/09/93/81/564099381.db2.gz AWAYPWQXZZZDDJ-AWEZNQCLSA-N 0 0 339.460 4.116 50 0 EIAARN Cc1c2ccccc2oc1-c1noc(C(=O)NCc2cccc(C)c2)n1 ZINC000065009971 564099555 /nfs/dbraw/zinc/09/95/55/564099555.db2.gz CALBMQYSASEXLV-UHFFFAOYSA-N 0 0 347.374 4.030 50 0 EIAARN CCC(=O)Nc1ccc(C2(C(=O)N[C@@H](C)CC)CCCCC2)cc1 ZINC000065027396 564099673 /nfs/dbraw/zinc/09/96/73/564099673.db2.gz ZDZZPFLGRQGMTQ-HNNXBMFYSA-N 0 0 330.472 4.152 50 0 EIAARN COC(=O)c1cc(Nc2ccc(Cl)cc2)c2cccc(OC)c2n1 ZINC000065033639 564099905 /nfs/dbraw/zinc/09/99/05/564099905.db2.gz ATVMTPOOUNIKSV-UHFFFAOYSA-N 0 0 342.782 4.427 50 0 EIAARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2cccs2)no1 ZINC000006868041 564100107 /nfs/dbraw/zinc/10/01/07/564100107.db2.gz DEPZPMRVSNBYGB-UHFFFAOYSA-N 0 0 330.752 4.225 50 0 EIAARN CC(C)(C)c1cccc(OCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000006871892 564100190 /nfs/dbraw/zinc/10/01/90/564100190.db2.gz URQUAZKYRRFABB-UHFFFAOYSA-N 0 0 331.843 4.333 50 0 EIAARN CCCc1nn(-c2ccc(Cl)cc2)c(CCC)c1C(=O)NC1CC1 ZINC000006872756 564100253 /nfs/dbraw/zinc/10/02/53/564100253.db2.gz FULPKHPXRFBIDO-UHFFFAOYSA-N 0 0 345.874 4.323 50 0 EIAARN Cc1cc(C)cc(NC(=O)COCc2cc(-c3cccs3)on2)c1 ZINC000006876553 564100299 /nfs/dbraw/zinc/10/02/99/564100299.db2.gz UWZZUXOTSTYUKF-UHFFFAOYSA-N 0 0 342.420 4.175 50 0 EIAARN CCc1ccccc1NC(=O)[C@H](CC)Sc1nc2cccnc2[nH]1 ZINC000006877741 564100439 /nfs/dbraw/zinc/10/04/39/564100439.db2.gz XDDGWYUYYYRHCO-HNNXBMFYSA-N 0 0 340.452 4.030 50 0 EIAARN Cc1cccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1C ZINC000006879758 564100468 /nfs/dbraw/zinc/10/04/68/564100468.db2.gz GGOHJVJHCJZVNQ-UHFFFAOYSA-N 0 0 337.341 4.017 50 0 EIAARN Cc1cccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)c1 ZINC000169776327 564100779 /nfs/dbraw/zinc/10/07/79/564100779.db2.gz WRDWHVYPUVRHAJ-UHFFFAOYSA-N 0 0 343.390 4.114 50 0 EIAARN CCOc1cc(-c2n[nH]c(=S)n2CC(C)C)ccc1OC(F)F ZINC000006892312 564100856 /nfs/dbraw/zinc/10/08/56/564100856.db2.gz LOLQUCBPTFVYDS-UHFFFAOYSA-N 0 0 343.399 4.264 50 0 EIAARN C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)NC1CCCCC1 ZINC000006908432 564101141 /nfs/dbraw/zinc/10/11/41/564101141.db2.gz HVMTWTJJQNWWIV-JTQLQIEISA-N 0 0 337.876 4.146 50 0 EIAARN Cc1[nH]c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2c1C ZINC000065119654 564101327 /nfs/dbraw/zinc/10/13/27/564101327.db2.gz NPCUYJMGWSDTHY-UHFFFAOYSA-N 0 0 334.419 4.064 50 0 EIAARN CCc1nc2ccc(C(=O)NC3CCCCCC3)cc2nc1CC ZINC000006917883 564101372 /nfs/dbraw/zinc/10/13/72/564101372.db2.gz KBULTYZXHZDEML-UHFFFAOYSA-N 0 0 325.456 4.207 50 0 EIAARN O=c1c(SCc2cccc(F)c2)nccn1-c1cccc(Cl)c1 ZINC000006915319 564101417 /nfs/dbraw/zinc/10/14/17/564101417.db2.gz LMPXMUXHKLKPNQ-UHFFFAOYSA-N 0 0 346.814 4.317 50 0 EIAARN CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C)c(F)c1 ZINC000065118449 564101432 /nfs/dbraw/zinc/10/14/32/564101432.db2.gz NSLCLVXYZZCSAW-UHFFFAOYSA-N 0 0 329.400 4.196 50 0 EIAARN c1cc(-c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)cc2c1OCO2 ZINC000006926791 564101527 /nfs/dbraw/zinc/10/15/27/564101527.db2.gz ZEZIJHWTPTUMQM-UHFFFAOYSA-N 0 0 338.407 4.224 50 0 EIAARN Cc1cccc(OCc2nc(-c3cccc(-c4ccnn4C)c3)no2)c1 ZINC000065137274 564101528 /nfs/dbraw/zinc/10/15/28/564101528.db2.gz SLOJCJYLPXNBIO-UHFFFAOYSA-N 0 0 346.390 4.025 50 0 EIAARN Cc1nc2cc(-c3noc(COc4ccc(Cl)cc4)n3)ccc2o1 ZINC000065149616 564101746 /nfs/dbraw/zinc/10/17/46/564101746.db2.gz OGTVJNRIVAWAQK-UHFFFAOYSA-N 0 0 341.754 4.419 50 0 EIAARN CC(C)CN(CC(C)C)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942294 564101969 /nfs/dbraw/zinc/10/19/69/564101969.db2.gz HCXICXILROWOOE-UHFFFAOYSA-N 0 0 333.863 4.484 50 0 EIAARN Cc1cccc(-c2ncccc2CNC(=O)c2ccc(N(C)C)cc2)c1 ZINC000065171210 564102240 /nfs/dbraw/zinc/10/22/40/564102240.db2.gz QRUMSEBMMVDXDA-UHFFFAOYSA-N 0 0 345.446 4.053 50 0 EIAARN Cc1ccc(NC(=O)c2cccc(-c3nc4cccnc4n3C)c2)cc1 ZINC000065172621 564102307 /nfs/dbraw/zinc/10/23/07/564102307.db2.gz UHDPVOPTJDGPEF-UHFFFAOYSA-N 0 0 342.402 4.196 50 0 EIAARN Cc1ccc(C(=O)N2CCC(CCOc3ccccc3)CC2)s1 ZINC000065180538 564102342 /nfs/dbraw/zinc/10/23/42/564102342.db2.gz LLPFNDHRADGVKT-UHFFFAOYSA-N 0 0 329.465 4.378 50 0 EIAARN O=C(/C=C/c1ccco1)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000065180689 564102374 /nfs/dbraw/zinc/10/23/74/564102374.db2.gz ZHAYXZHEDDXAAY-VOTSOKGWSA-N 0 0 343.398 4.140 50 0 EIAARN CC(=O)Nc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000006968461 564102441 /nfs/dbraw/zinc/10/24/41/564102441.db2.gz RVBYMTDZOQYUAK-UHFFFAOYSA-N 0 0 343.433 4.082 50 0 EIAARN Cc1ccsc1-c1nnc(CC(=O)Nc2cccc(Cl)c2C)o1 ZINC000065214327 564102811 /nfs/dbraw/zinc/10/28/11/564102811.db2.gz YLSLKUGGBAAMSG-UHFFFAOYSA-N 0 0 347.827 4.250 50 0 EIAARN O=C(Nc1ccsc1-c1nnc(C2CC2)o1)c1ccccc1F ZINC000065218668 564102914 /nfs/dbraw/zinc/10/29/14/564102914.db2.gz IJKJRISGZMNSFN-UHFFFAOYSA-N 0 0 329.356 4.067 50 0 EIAARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1F ZINC000007003014 564102998 /nfs/dbraw/zinc/10/29/98/564102998.db2.gz FTLDZSDOYLKKIN-HNNXBMFYSA-N 0 0 341.430 4.255 50 0 EIAARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 ZINC000007003181 564103001 /nfs/dbraw/zinc/10/30/01/564103001.db2.gz JERMTFKCMPFKFV-HNNXBMFYSA-N 0 0 341.430 4.255 50 0 EIAARN O=C(Cc1ccccc1F)Nc1cnc(-c2cccc(Cl)c2)nc1 ZINC000065225052 564103073 /nfs/dbraw/zinc/10/30/73/564103073.db2.gz MUUZTAZVIUIHTN-UHFFFAOYSA-N 0 0 341.773 4.117 50 0 EIAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000007028242 564103217 /nfs/dbraw/zinc/10/32/17/564103217.db2.gz CWIREUOYRDTFPL-UHQDVWGKSA-N 0 0 348.512 4.067 50 0 EIAARN O=C(c1ccncc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21 ZINC000065254911 564103479 /nfs/dbraw/zinc/10/34/79/564103479.db2.gz YJSWOZXOEXHDKX-UHFFFAOYSA-N 0 0 347.443 4.285 50 0 EIAARN O=C(NCc1cccnc1)c1cc2cn(C3CCCC3)cc2s1 ZINC000065285733 564104344 /nfs/dbraw/zinc/10/43/44/564104344.db2.gz GGORFSLPKCWFTF-UHFFFAOYSA-N 0 0 325.437 4.143 50 0 EIAARN Cc1ccc(CN2CCCC[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000065286105 564104406 /nfs/dbraw/zinc/10/44/06/564104406.db2.gz ICRDGNGLGDTYRT-SFHVURJKSA-N 0 0 334.423 4.167 50 0 EIAARN Cc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 ZINC000007062531 564104508 /nfs/dbraw/zinc/10/45/08/564104508.db2.gz KIEOMCAKWWMYKD-FQEVSTJZSA-N 0 0 339.435 4.283 50 0 EIAARN O=C(OCc1nc2ccccc2o1)c1csc(-c2cccs2)n1 ZINC000007076152 564104735 /nfs/dbraw/zinc/10/47/35/564104735.db2.gz XAJMQKVGCRWUJS-UHFFFAOYSA-N 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/nfs/dbraw/zinc/11/53/27/564115327.db2.gz NKNXCEKASUYWFY-NEPJUHHUSA-N 0 0 325.250 4.492 50 0 EIAARN CS[C@H]1CC[C@@H](NC(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 ZINC000076069470 564115361 /nfs/dbraw/zinc/11/53/61/564115361.db2.gz ISULTEVNCFGRGX-CABCVRRESA-N 0 0 331.441 4.056 50 0 EIAARN CC1(C)CN(C(=O)C[C@@H]2CCOc3ccccc32)Cc2ccccc21 ZINC000089919680 564115404 /nfs/dbraw/zinc/11/54/04/564115404.db2.gz OSTKMJYREZYDMN-INIZCTEOSA-N 0 0 335.447 4.263 50 0 EIAARN C[C@H](NC(=O)N1CCC(OCC2CC2)CC1)c1cccc(Cl)c1 ZINC000076084556 564115457 /nfs/dbraw/zinc/11/54/57/564115457.db2.gz QSPXLRPIPYYXTE-ZDUSSCGKSA-N 0 0 336.863 4.002 50 0 EIAARN COc1cc2ccccc2cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000016962303 564115533 /nfs/dbraw/zinc/11/55/33/564115533.db2.gz HXALUEWPQDMVKI-CQSZACIVSA-N 0 0 337.341 4.263 50 0 EIAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cccc(F)c1 ZINC000007580634 564115816 /nfs/dbraw/zinc/11/58/16/564115816.db2.gz AANSUMJYXXGOMC-UHFFFAOYSA-N 0 0 344.411 4.121 50 0 EIAARN CCC[C@@]1(C(F)(F)F)CCCN1C(=O)[C@@H](C)Oc1ccccc1 ZINC000089949915 564115844 /nfs/dbraw/zinc/11/58/44/564115844.db2.gz MIRZNFXNRJKJHQ-CJNGLKHVSA-N 0 0 329.362 4.178 50 0 EIAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C1CCCCC1 ZINC000016992089 564116020 /nfs/dbraw/zinc/11/60/20/564116020.db2.gz KUJIKIXFYRHUEZ-UHFFFAOYSA-N 0 0 346.471 4.497 50 0 EIAARN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Cc1ccc[nH]1 ZINC000090063919 564116240 /nfs/dbraw/zinc/11/62/40/564116240.db2.gz GKOWTCASNOAFMS-AWEZNQCLSA-N 0 0 339.464 4.209 50 0 EIAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)O[C@@H](C)c3cccc(C)c3)c12 ZINC000170632953 564116304 /nfs/dbraw/zinc/11/63/04/564116304.db2.gz FIXDZUDJLFNRFH-AWEZNQCLSA-N 0 0 349.434 4.381 50 0 EIAARN CC(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000017113062 564116434 /nfs/dbraw/zinc/11/64/34/564116434.db2.gz SAXNWEGZNONQRF-UHFFFAOYSA-N 0 0 336.435 4.264 50 0 EIAARN c1cnn(-c2ccccc2NCc2cnc(-c3cccnc3)s2)c1 ZINC000090192249 564116470 /nfs/dbraw/zinc/11/64/70/564116470.db2.gz IVJVYRBMOKYMGO-UHFFFAOYSA-N 0 0 333.420 4.003 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000017167228 564116572 /nfs/dbraw/zinc/11/65/72/564116572.db2.gz DAVGZAUEUBWRAH-KBPBESRZSA-N 0 0 342.464 4.119 50 0 EIAARN COCCCn1c2c(c(=S)nc1-c1cccc(OC)c1)CCCC2 ZINC000002875888 564117101 /nfs/dbraw/zinc/11/71/01/564117101.db2.gz BWGZKMHFPHSBBQ-UHFFFAOYSA-N 0 0 344.480 4.203 50 0 EIAARN CN(C)c1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000170637473 564117404 /nfs/dbraw/zinc/11/74/04/564117404.db2.gz LVAAWWYKLOMOOV-SJORKVTESA-N 0 0 329.831 4.084 50 0 EIAARN C[C@H]1CCCCN1C(=O)c1cccnc1-c1nc2ccccc2s1 ZINC000006703566 564117467 /nfs/dbraw/zinc/11/74/67/564117467.db2.gz CVIUBHZEEAYPAC-ZDUSSCGKSA-N 0 0 337.448 4.373 50 0 EIAARN CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000006747383 564117504 /nfs/dbraw/zinc/11/75/04/564117504.db2.gz SSLJJZCIMMKLNP-UHFFFAOYSA-N 0 0 340.423 4.465 50 0 EIAARN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)C[C@H]1CCOC1 ZINC000366519945 564117840 /nfs/dbraw/zinc/11/78/40/564117840.db2.gz ZLFUJKXXHATKGQ-PMAPCBKXSA-N 0 0 349.474 4.018 50 0 EIAARN Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(F)cc1)C3 ZINC000002121049 564118402 /nfs/dbraw/zinc/11/84/02/564118402.db2.gz FIZBNYYOWPWUPE-UHFFFAOYSA-N 0 0 339.366 4.214 50 0 biogenic EIAARN CN(C)C(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000007595597 564118831 /nfs/dbraw/zinc/11/88/31/564118831.db2.gz BOXVQFJHELDMCO-UHFFFAOYSA-N 0 0 330.472 4.179 50 0 EIAARN O=C(Nc1ccc(Br)cc1)OCCOc1ccccc1 ZINC000002173854 564119036 /nfs/dbraw/zinc/11/90/36/564119036.db2.gz LWMSFRDWUWGUBC-UHFFFAOYSA-N 0 0 336.185 4.077 50 0 EIAARN Cc1ccc2c(c1)CCN(C(=O)Nc1cccc(N3CCCC3)c1)C2 ZINC000252487881 564119397 /nfs/dbraw/zinc/11/93/97/564119397.db2.gz IDFFWDNVFPDYQT-UHFFFAOYSA-N 0 0 335.451 4.185 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)c2cnn(CCC(C)C)c2C(C)C)o1 ZINC000252492321 564119601 /nfs/dbraw/zinc/11/96/01/564119601.db2.gz MISUSMVDVANBOE-HNNXBMFYSA-N 0 0 331.460 4.445 50 0 EIAARN O=C(Nc1cccc(OC(F)F)c1)c1ccnc(OC2CCCC2)c1 ZINC000252497417 564119696 /nfs/dbraw/zinc/11/96/96/564119696.db2.gz QGZBMNMJSZYADX-UHFFFAOYSA-N 0 0 348.349 4.257 50 0 EIAARN O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2c1)C1=CCOCC1 ZINC000252508963 564119996 /nfs/dbraw/zinc/11/99/96/564119996.db2.gz XZNUURZROPKSGQ-QFIPXVFZSA-N 0 0 343.426 4.392 50 0 EIAARN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000252508902 564120005 /nfs/dbraw/zinc/12/00/05/564120005.db2.gz XXCIGZQKWTYMHK-WDEREUQCSA-N 0 0 335.448 4.186 50 0 EIAARN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1scnc1-c1ccccc1 ZINC000252523250 564120452 /nfs/dbraw/zinc/12/04/52/564120452.db2.gz CEKQRIMBSBQBJH-SJKOYZFVSA-N 0 0 336.416 4.313 50 0 EIAARN Oc1ccc(-c2nn3c(-c4ccccc4)nnc3c3ccccc32)cc1 ZINC000002196876 564120829 /nfs/dbraw/zinc/12/08/29/564120829.db2.gz OINDMQUBCHKTKG-UHFFFAOYSA-N 0 0 338.370 4.317 50 0 EIAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCCCCC1 ZINC000007608514 564120897 /nfs/dbraw/zinc/12/08/97/564120897.db2.gz ZNBGSSJNWGHBOY-UHFFFAOYSA-N 0 0 327.424 4.093 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 ZINC000007612337 564120957 /nfs/dbraw/zinc/12/09/57/564120957.db2.gz YYNUFIUTPUSMIC-UHFFFAOYSA-N 0 0 326.783 4.214 50 0 EIAARN Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccccc4C)no3)CC2=O)c1 ZINC000007615823 564120999 /nfs/dbraw/zinc/12/09/99/564120999.db2.gz JCEORFYGCXZTKF-INIZCTEOSA-N 0 0 347.418 4.182 50 0 EIAARN CCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc32)nnc1C1CC1 ZINC000007618659 564121043 /nfs/dbraw/zinc/12/10/43/564121043.db2.gz CTKHESQKETYWHS-LLVKDONJSA-N 0 0 340.452 4.020 50 0 EIAARN CC[C@H](C)NC(=O)Cn1c(Cc2ccccc2)nc2cc(C)c(C)cc21 ZINC000037398244 564121182 /nfs/dbraw/zinc/12/11/82/564121182.db2.gz GPMLEROAMUXRKN-KRWDZBQOSA-N 0 0 349.478 4.159 50 0 EIAARN Fc1ccc(-c2nnc(CN3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000007650853 564121528 /nfs/dbraw/zinc/12/15/28/564121528.db2.gz AZWRGHGRTCVUBR-UHFFFAOYSA-N 0 0 335.382 4.165 50 0 EIAARN COc1cc(CNC(=O)c2ccccc2)ccc1OCc1ccccc1 ZINC000007648909 564121538 /nfs/dbraw/zinc/12/15/38/564121538.db2.gz QDOSLWHIKBDLIL-UHFFFAOYSA-N 0 0 347.414 4.204 50 0 EIAARN COc1ccc2cc(CN(C)Cc3nccn3C(F)F)ccc2c1 ZINC000194582693 564121661 /nfs/dbraw/zinc/12/16/61/564121661.db2.gz FHGPUFZJNUKBBE-UHFFFAOYSA-N 0 0 331.366 4.072 50 0 EIAARN C[C@@H](Sc1n[nH]c(-c2ccccc2O)n1)c1nc2ccccc2o1 ZINC000194589077 564121698 /nfs/dbraw/zinc/12/16/98/564121698.db2.gz KRNXJWZFKUXSJQ-SNVBAGLBSA-N 0 0 338.392 4.172 50 0 EIAARN Cc1ccc([C@@H](NC(=O)COc2cccc(F)c2)c2ccccc2)cc1 ZINC000007686160 564121934 /nfs/dbraw/zinc/12/19/34/564121934.db2.gz OYLIMBCRCYFEQO-QFIPXVFZSA-N 0 0 349.405 4.419 50 0 EIAARN COc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 ZINC000065918611 564122236 /nfs/dbraw/zinc/12/22/36/564122236.db2.gz UIYLIIINPYXHGQ-UHFFFAOYSA-N 0 0 334.419 4.196 50 0 EIAARN CC(C)OCCOCc1cccc(Nc2ncnc3sccc32)c1 ZINC000065946070 564122441 /nfs/dbraw/zinc/12/24/41/564122441.db2.gz RQRMKNMEYYJVJV-UHFFFAOYSA-N 0 0 343.452 4.377 50 0 EIAARN Cc1cc2nc(NCCc3c[nH]c4ccccc34)c3ccccc3n2n1 ZINC000007737981 564122571 /nfs/dbraw/zinc/12/25/71/564122571.db2.gz NFVAPHXVZGNRNW-UHFFFAOYSA-N 0 0 341.418 4.327 50 0 EIAARN Cc1ccc(CN(C)C(=O)CSc2nc3ccccc3o2)c(C)c1 ZINC000007748051 564122620 /nfs/dbraw/zinc/12/26/20/564122620.db2.gz WYQDZSNDFDEOCC-UHFFFAOYSA-N 0 0 340.448 4.195 50 0 EIAARN Cc1noc([C@H]2CCCN(C(=S)Nc3ccc(C(C)C)cc3)C2)n1 ZINC000066007591 564123198 /nfs/dbraw/zinc/12/31/98/564123198.db2.gz QTGFXBSRNUIUFC-HNNXBMFYSA-N 0 0 344.484 4.078 50 0 EIAARN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000195528601 564123584 /nfs/dbraw/zinc/12/35/84/564123584.db2.gz ZVUILHDCYIJURD-ZKYQVNSYSA-N 0 0 332.341 4.307 50 0 EIAARN C[S@](=O)Cc1cc(NCc2cc(F)c(F)c(F)c2)ccc1Cl ZINC000195559119 564123830 /nfs/dbraw/zinc/12/38/30/564123830.db2.gz JSAXFRJGKZJLGB-QFIPXVFZSA-N 0 0 347.789 4.248 50 0 EIAARN Cc1ccc(F)cc1CNc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000195559015 564123840 /nfs/dbraw/zinc/12/38/40/564123840.db2.gz QYRVINWLSNUWNF-OAQYLSRUSA-N 0 0 325.836 4.278 50 0 EIAARN Cc1nnc(CC(=O)N(Cc2cccc3ccccc32)C2CCCC2)o1 ZINC000170833531 564123942 /nfs/dbraw/zinc/12/39/42/564123942.db2.gz MSXSENPDJSAAGC-UHFFFAOYSA-N 0 0 349.434 4.045 50 0 EIAARN Cc1cc2occ(CC(=O)Oc3ccc(-c4nnco4)cc3)c2cc1C ZINC000007813346 564123974 /nfs/dbraw/zinc/12/39/74/564123974.db2.gz YWPYWXDXCFIJPD-UHFFFAOYSA-N 0 0 348.358 4.248 50 0 EIAARN CCn1c(SCc2cc(-c3cccs3)on2)nnc1C1CC1 ZINC000007825980 564124056 /nfs/dbraw/zinc/12/40/56/564124056.db2.gz GLTXIQIZVQUYKF-UHFFFAOYSA-N 0 0 332.454 4.184 50 0 EIAARN O=C(COc1cccc(F)c1)N[C@H](c1cccs1)c1ccccc1 ZINC000007885496 564124388 /nfs/dbraw/zinc/12/43/88/564124388.db2.gz HWEDXCALZKVBEF-IBGZPJMESA-N 0 0 341.407 4.172 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)OCc1cc(-c2ccccc2)on1 ZINC000007895203 564124747 /nfs/dbraw/zinc/12/47/47/564124747.db2.gz WIAUHYSDLLLSLB-UHFFFAOYSA-N 0 0 332.359 4.109 50 0 EIAARN O=C(N=c1sc2ccccc2n1-c1ccccc1)c1ccccc1 ZINC000252666265 564124786 /nfs/dbraw/zinc/12/47/86/564124786.db2.gz AXNDLMGPUOVXDU-UHFFFAOYSA-N 0 0 330.412 4.433 50 0 EIAARN CCCCCCOC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000003090817 564125282 /nfs/dbraw/zinc/12/52/82/564125282.db2.gz NBJXJBCQHLOCCC-IBGZPJMESA-N 0 0 339.435 4.281 50 0 biogenic EIAARN COc1cc(NC(=O)c2c(C)nc3ccccc3c2C)cc(OC)c1 ZINC000007920032 564125351 /nfs/dbraw/zinc/12/53/51/564125351.db2.gz AHZLTJTVLCSURZ-UHFFFAOYSA-N 0 0 336.391 4.121 50 0 EIAARN C[C@H](c1ccccn1)N(C)C(=O)NCCCSC1CCCCC1 ZINC000584899169 564131698 /nfs/dbraw/zinc/13/16/98/564131698.db2.gz XZERKJMRTDJIMP-OAHLLOKOSA-N 0 0 335.517 4.240 50 0 EIAARN O=C(Nc1ccc(-c2ccco2)cc1F)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000253432007 564131770 /nfs/dbraw/zinc/13/17/70/564131770.db2.gz ILWULWURFSINEV-KDOFPFPSSA-N 0 0 344.386 4.165 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2)c1 ZINC000027639935 564133586 /nfs/dbraw/zinc/13/35/86/564133586.db2.gz DERKGYWPKQSLOL-UHFFFAOYSA-N 0 0 347.296 4.023 50 0 EIAARN CCCCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21 ZINC000002401945 564134585 /nfs/dbraw/zinc/13/45/85/564134585.db2.gz GNLNGWSFTBOBOU-UHFFFAOYSA-N 0 0 332.407 4.455 50 0 EIAARN CCCCOCCCNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000002428386 564134984 /nfs/dbraw/zinc/13/49/84/564134984.db2.gz YEMVRLVPRFBPRT-UHFFFAOYSA-N 0 0 332.835 4.383 50 0 EIAARN Cc1n[nH]c2ccc(-c3cncc(N[C@@H](CO)c4ccccc4)c3)cc12 ZINC000209451426 564135790 /nfs/dbraw/zinc/13/57/90/564135790.db2.gz SWXADLXPEUSILB-NRFANRHFSA-N 0 0 344.418 4.079 50 0 EIAARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013063274 564135955 /nfs/dbraw/zinc/13/59/55/564135955.db2.gz WOLWFJZQOQNREZ-LLVKDONJSA-N 0 0 335.234 4.383 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3CCCC3)cc12 ZINC000007950948 564136086 /nfs/dbraw/zinc/13/60/86/564136086.db2.gz AHEKWILUMDQLRV-UHFFFAOYSA-N 0 0 343.427 4.207 50 0 EIAARN CCOc1ccc(NC(=O)CNc2cc(C)ccc2C)cc1OCC ZINC000007952616 564136135 /nfs/dbraw/zinc/13/61/35/564136135.db2.gz KOMWRRCISAGBMQ-UHFFFAOYSA-N 0 0 342.439 4.151 50 0 EIAARN COc1cccc(-n2c(Nc3ccc(C)cc3)c3[nH]cccc-3c2=O)c1 ZINC000013366884 564136292 /nfs/dbraw/zinc/13/62/92/564136292.db2.gz HUAIVAZPFJQJFD-FQEVSTJZSA-N 0 0 345.402 4.170 50 0 EIAARN C[C@H]1C[C@H](C)CN(c2nnc(Cc3ccncc3)c3ccccc32)C1 ZINC000013368676 564136333 /nfs/dbraw/zinc/13/63/33/564136333.db2.gz NXYDHDASUBTSDH-HOTGVXAUSA-N 0 0 332.451 4.098 50 0 EIAARN COc1cc(-c2noc(-c3sc([C@@H](C)OC)nc3C)n2)ccc1F ZINC000328593751 564136824 /nfs/dbraw/zinc/13/68/24/564136824.db2.gz DYLVJDUOVAUNQV-SECBINFHSA-N 0 0 349.387 4.024 50 0 EIAARN Cc1nnc([C@H]2CCCCN2C(=O)Nc2ccc(C3CCC3)cc2)[nH]1 ZINC000374707147 564137391 /nfs/dbraw/zinc/13/73/91/564137391.db2.gz LYKFHTBAXCSBIP-QGZVFWFLSA-N 0 0 339.443 4.140 50 0 EIAARN Cc1nnc([C@H](C)Nc2ccc(OCc3ccco3)c(Cl)c2)o1 ZINC000079030397 564137722 /nfs/dbraw/zinc/13/77/22/564137722.db2.gz HGDVBQNXNCREIR-JTQLQIEISA-N 0 0 333.775 4.377 50 0 EIAARN CN(C(=O)c1ccccc1OCc1cscn1)c1ccc(F)cc1 ZINC000079070622 564137793 /nfs/dbraw/zinc/13/77/93/564137793.db2.gz WBPHAIZUKQMNSZ-UHFFFAOYSA-N 0 0 342.395 4.138 50 0 EIAARN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCc1cccnc1 ZINC000079070831 564137840 /nfs/dbraw/zinc/13/78/40/564137840.db2.gz YDTJRAPKJLLDCT-GFCCVEGCSA-N 0 0 349.261 4.467 50 0 EIAARN Cc1c2ccccc2sc1C(=O)N[C@@H](C)C[C@@H](O)c1ccco1 ZINC000079107534 564137941 /nfs/dbraw/zinc/13/79/41/564137941.db2.gz YDPCAOXOHDELFU-SMDDNHRTSA-N 0 0 329.421 4.045 50 0 EIAARN CC(C)c1ccc(CN2C(=O)C[C@](C)(c3ccsc3)C2=O)cc1 ZINC000079107690 564137946 /nfs/dbraw/zinc/13/79/46/564137946.db2.gz XOPYSNQXETWONR-LJQANCHMSA-N 0 0 327.449 4.088 50 0 EIAARN COc1cc(SC)ccc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000278380079 564138321 /nfs/dbraw/zinc/13/83/21/564138321.db2.gz SUFRWHXWRIVMKX-OAHLLOKOSA-N 0 0 343.448 4.173 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CSC(C)(C)C ZINC000390828438 564138554 /nfs/dbraw/zinc/13/85/54/564138554.db2.gz BAUWNJWYPOYBCB-HOTGVXAUSA-N 0 0 335.513 4.367 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N3CC(OCC(F)(F)F)C3)cc2)cc1 ZINC000390828435 564138563 /nfs/dbraw/zinc/13/85/63/564138563.db2.gz BALMDWISKMGAFU-UHFFFAOYSA-N 0 0 349.352 4.065 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)nc1)c1ccccc1C(F)(F)F ZINC000390829960 564138609 /nfs/dbraw/zinc/13/86/09/564138609.db2.gz HSQHKOBGPREKAL-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN O=C(NCCc1ccc(-c2ccoc2)s1)c1c(F)cccc1F ZINC000390829693 564138614 /nfs/dbraw/zinc/13/86/14/564138614.db2.gz FYZVXWYKDDCBFY-UHFFFAOYSA-N 0 0 333.359 4.259 50 0 EIAARN O=C(NCCCc1cc2ccccc2o1)c1nc2ccccc2s1 ZINC000390831851 564138701 /nfs/dbraw/zinc/13/87/01/564138701.db2.gz VKNGQKAYXRXMRA-UHFFFAOYSA-N 0 0 336.416 4.405 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)cc1)C1(c2ccc(F)cc2)CC1 ZINC000390832004 564138711 /nfs/dbraw/zinc/13/87/11/564138711.db2.gz WOOYZGBAMGKKRF-UHFFFAOYSA-N 0 0 335.378 4.434 50 0 EIAARN O=C(c1ccnc(C2CC2)c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000390833451 564138763 /nfs/dbraw/zinc/13/87/63/564138763.db2.gz HPRYTEJWEQVPRD-UHFFFAOYSA-N 0 0 348.402 4.100 50 0 EIAARN CCc1cc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cc(=O)[nH]1 ZINC000390833564 564138829 /nfs/dbraw/zinc/13/88/29/564138829.db2.gz JJXXIBLACBWCAS-IBGZPJMESA-N 0 0 344.414 4.142 50 0 EIAARN Cc1cnc([C@H](NC(=O)NC2(c3ccccc3F)CC2)C2CC2)s1 ZINC000080445389 564140187 /nfs/dbraw/zinc/14/01/87/564140187.db2.gz DEORYTORXRXCDM-OAHLLOKOSA-N 0 0 345.443 4.030 50 0 EIAARN Cc1csc(-c2cccc(C(=O)N[C@@H]3CCO[C@H](C(C)C)C3)c2)n1 ZINC000095459012 564140706 /nfs/dbraw/zinc/14/07/06/564140706.db2.gz RKDUDMXRIAJLKD-SJORKVTESA-N 0 0 344.480 4.052 50 0 EIAARN COCCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2ccccc21 ZINC000095473280 564141301 /nfs/dbraw/zinc/14/13/01/564141301.db2.gz VAHDAMGJBBYSBD-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 EIAARN CC(C)C[C@H]1SCC(=O)Nc2c1cnn2-c1nc2ccccc2[nH]1 ZINC000095476463 564141445 /nfs/dbraw/zinc/14/14/45/564141445.db2.gz UQRQYABHAPQKLL-CQSZACIVSA-N 0 0 341.440 4.171 50 0 EIAARN O=C1CS[C@@H](c2ccccc2)c2cnn(Cc3cccs3)c2N1 ZINC000095477837 564141462 /nfs/dbraw/zinc/14/14/62/564141462.db2.gz ZWNOAXOKKFFNTE-INIZCTEOSA-N 0 0 341.461 4.417 50 0 EIAARN CC(C)n1ccc2c1cccc2C(=O)Nc1ccc2c(c1)OCCO2 ZINC000095480787 564141580 /nfs/dbraw/zinc/14/15/80/564141580.db2.gz XAPGWOFDLUUKPR-UHFFFAOYSA-N 0 0 336.391 4.246 50 0 EIAARN O=C(c1cc2ccc3cccnc3c2[nH]1)N1CCCc2ccccc21 ZINC000020575399 564141604 /nfs/dbraw/zinc/14/16/04/564141604.db2.gz UAJDOSVMSGLIIW-UHFFFAOYSA-N 0 0 327.387 4.309 50 0 EIAARN O=c1[nH]c2ccc(-c3csc(Nc4ccccc4F)n3)cc2o1 ZINC000095947982 564142291 /nfs/dbraw/zinc/14/22/91/564142291.db2.gz VJHFXLJGIZRWJD-UHFFFAOYSA-N 0 0 327.340 4.127 50 0 EIAARN Cc1c2ccc3ccccc3c2oc1C(=O)NCCNc1ccccn1 ZINC000095948060 564142308 /nfs/dbraw/zinc/14/23/08/564142308.db2.gz CNWXLCWNHTXINU-UHFFFAOYSA-N 0 0 345.402 4.131 50 0 EIAARN CCc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000095949510 564142356 /nfs/dbraw/zinc/14/23/56/564142356.db2.gz BSPUWOIIIUVLMP-IBGZPJMESA-N 0 0 338.451 4.091 50 0 EIAARN O=C([C@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCCSCC1 ZINC000095957335 564142569 /nfs/dbraw/zinc/14/25/69/564142569.db2.gz RPJQSFGUOKPZID-RYUDHWBXSA-N 0 0 330.280 4.062 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2cccs2)C1=O ZINC000095960085 564142658 /nfs/dbraw/zinc/14/26/58/564142658.db2.gz KALYSRFXWNKNEU-CQSZACIVSA-N 0 0 349.452 4.201 50 0 EIAARN CCOCc1ccccc1NC(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000095965227 564142897 /nfs/dbraw/zinc/14/28/97/564142897.db2.gz WPEZBRZRLONFAI-HZPDHXFCSA-N 0 0 336.501 4.361 50 0 EIAARN Cc1noc(C)c1CN[C@@H](C)c1ccc(Oc2cccnc2)c(F)c1 ZINC000095985332 564143925 /nfs/dbraw/zinc/14/39/25/564143925.db2.gz RZCWEOCKSBCQAW-LBPRGKRZSA-N 0 0 341.386 4.469 50 0 EIAARN CC(C)C(=O)Nc1ccc(N[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000095990522 564144138 /nfs/dbraw/zinc/14/41/38/564144138.db2.gz DMBIXYFZXSHCFJ-LFPIHBKWSA-N 0 0 344.480 4.192 50 0 EIAARN C[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1nc2ccccc2o1 ZINC000095993805 564144207 /nfs/dbraw/zinc/14/42/07/564144207.db2.gz HWYYHOCLZNHQGK-LBPRGKRZSA-N 0 0 336.395 4.285 50 0 EIAARN CC(=O)c1csc(C(=O)N(Cc2ccccc2)c2ccncc2)c1 ZINC000095996621 564144298 /nfs/dbraw/zinc/14/42/98/564144298.db2.gz AKLVTJDXKPVCDZ-UHFFFAOYSA-N 0 0 336.416 4.193 50 0 EIAARN Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc(C)cc2C)no1 ZINC000095998821 564144331 /nfs/dbraw/zinc/14/43/31/564144331.db2.gz 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/nfs/dbraw/zinc/14/54/73/564145473.db2.gz NTQVWYYJAPEAET-UHFFFAOYSA-N 0 0 346.434 4.071 50 0 EIAARN CC(C)c1sc(Cl)nc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000096118852 564145491 /nfs/dbraw/zinc/14/54/91/564145491.db2.gz BFYLVPRWJSLEOK-VIFPVBQESA-N 0 0 348.859 4.287 50 0 EIAARN CO[C@H]1CCN(c2ccc(NC(=O)Nc3ccccc3Cl)cc2)C1 ZINC000096122340 564145599 /nfs/dbraw/zinc/14/55/99/564145599.db2.gz CLPORECJGABKSF-HNNXBMFYSA-N 0 0 345.830 4.209 50 0 EIAARN CO[C@@H]1CCCN(c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)C1 ZINC000096122509 564145611 /nfs/dbraw/zinc/14/56/11/564145611.db2.gz JVFYOYLNWVQYGX-LJQANCHMSA-N 0 0 339.439 4.254 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)C1CCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278063 564146312 /nfs/dbraw/zinc/14/63/12/564146312.db2.gz FZVCQJGJQQFPME-ABAIWWIYSA-N 0 0 347.846 4.394 50 0 EIAARN CC[C@H](C)N(CCc1nc(-c2cccc(C)c2)no1)C(=O)C1CCC1 ZINC000096293151 564146462 /nfs/dbraw/zinc/14/64/62/564146462.db2.gz HJHQMNIJXLUOPH-HNNXBMFYSA-N 0 0 341.455 4.015 50 0 EIAARN CO[C@H](CNC(=O)c1cc2ccccc2s1)c1ccccc1C ZINC000096389248 564146974 /nfs/dbraw/zinc/14/69/74/564146974.db2.gz STOHFDDUYBRSKU-MRXNPFEDSA-N 0 0 325.433 4.327 50 0 EIAARN CO[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccccc1C ZINC000096389116 564146996 /nfs/dbraw/zinc/14/69/96/564146996.db2.gz RPWOHKRPIWHCMO-INIZCTEOSA-N 0 0 337.341 4.131 50 0 EIAARN O=C([C@H]1C[C@H]1c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000096402361 564147125 /nfs/dbraw/zinc/14/71/25/564147125.db2.gz TUZPIPCWFHOHPZ-ROUUACIJSA-N 0 0 345.446 4.073 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2Cl)ccc1OC1CCOCC1 ZINC000096414150 564147670 /nfs/dbraw/zinc/14/76/70/564147670.db2.gz ABFJRKUKERNFPH-UHFFFAOYSA-N 0 0 345.826 4.459 50 0 EIAARN CS[C@H](C)c1cccc(NC(=O)N[C@H](C)Cc2c(C)noc2C)c1 ZINC000096415977 564147767 /nfs/dbraw/zinc/14/77/67/564147767.db2.gz LHYLBQKHYMTETJ-BXUZGUMPSA-N 0 0 347.484 4.468 50 0 EIAARN C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ncc(-c2ccccc2)o1 ZINC000096436856 564148061 /nfs/dbraw/zinc/14/80/61/564148061.db2.gz RLXQHQGOMFYDOK-QWHCGFSZSA-N 0 0 349.390 4.234 50 0 EIAARN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ncc(-c2ccccc2)o1 ZINC000096436859 564148078 /nfs/dbraw/zinc/14/80/78/564148078.db2.gz RLXQHQGOMFYDOK-CHWSQXEVSA-N 0 0 349.390 4.234 50 0 EIAARN O=C(Nc1ccc(NCc2cccc(O)c2)cc1)N1CCCCCC1 ZINC000096482832 564148595 /nfs/dbraw/zinc/14/85/95/564148595.db2.gz CGHYAKCDSIWCMT-UHFFFAOYSA-N 0 0 339.439 4.412 50 0 EIAARN Cc1nn(C)c(C)c1C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000283747959 564148948 /nfs/dbraw/zinc/14/89/48/564148948.db2.gz IDQYJXSQRGNSJK-UHFFFAOYSA-N 0 0 347.846 4.264 50 0 EIAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1c(Cl)nc2ccccn21 ZINC000096766604 564148958 /nfs/dbraw/zinc/14/89/58/564148958.db2.gz FZQBVIQTVKARRA-DHZHZOJOSA-N 0 0 330.174 4.134 50 0 EIAARN O=C(c1cc(F)c(F)cc1Cl)N(CC1CC1)CC(F)(F)F ZINC000097011816 564149092 /nfs/dbraw/zinc/14/90/92/564149092.db2.gz KICJMTBKTXVQEK-UHFFFAOYSA-N 0 0 327.680 4.033 50 0 EIAARN C[C@@H](OC(=O)[C@@H]1CC1(Cl)Cl)c1nc2ccccc2n1C(F)F ZINC000097010012 564149098 /nfs/dbraw/zinc/14/90/98/564149098.db2.gz LDFRMINIFRRKCQ-SFYZADRCSA-N 0 0 349.164 4.229 50 0 EIAARN O=C(NC[C@@H]1C[C@]12CCCc1ccccc12)C1CCC(F)(F)CC1 ZINC000097022208 564149128 /nfs/dbraw/zinc/14/91/28/564149128.db2.gz OWOOHEOKQAUBIW-QFBILLFUSA-N 0 0 333.422 4.222 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000097022858 564149206 /nfs/dbraw/zinc/14/92/06/564149206.db2.gz LLPUDYGWRZJCLD-SJCJKPOMSA-N 0 0 329.419 4.023 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)c(C)n1 ZINC000225571163 564149784 /nfs/dbraw/zinc/14/97/84/564149784.db2.gz GYOFCGFJSLJKIM-UHFFFAOYSA-N 0 0 344.365 4.083 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000027970801 564149827 /nfs/dbraw/zinc/14/98/27/564149827.db2.gz FGJUNUNTGLAHQU-UHFFFAOYSA-N 0 0 349.434 4.118 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)n1 ZINC000027983571 564149879 /nfs/dbraw/zinc/14/98/79/564149879.db2.gz OIXVJWCDEFNTFG-UHFFFAOYSA-N 0 0 344.317 4.093 50 0 EIAARN O=C(NCc1cccnc1-c1ccsc1)c1ccc(Cl)s1 ZINC000225644560 564150082 /nfs/dbraw/zinc/15/00/82/564150082.db2.gz PGROUZPWIPVIIT-UHFFFAOYSA-N 0 0 334.853 4.455 50 0 EIAARN C[C@H](O)c1ccc(C2(CNC(=O)c3ccccc3)CCCC2)s1 ZINC000225680332 564150238 /nfs/dbraw/zinc/15/02/38/564150238.db2.gz IAPJELODLIOCGF-AWEZNQCLSA-N 0 0 329.465 4.043 50 0 EIAARN C[C@H](O)c1ccc(C2(CNC(=O)/C=C/c3ccoc3)CCCC2)s1 ZINC000225683125 564150281 /nfs/dbraw/zinc/15/02/81/564150281.db2.gz DJNDGCPLJIDTGK-GBXSZLQWSA-N 0 0 345.464 4.036 50 0 EIAARN CO[C@@H](CNC(=O)CCCc1ccccc1)c1ccc(Cl)s1 ZINC000225701271 564150332 /nfs/dbraw/zinc/15/03/32/564150332.db2.gz DBFGAUHAYLZOKY-AWEZNQCLSA-N 0 0 337.872 4.228 50 0 EIAARN O=C(Cc1ccccc1F)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000002639365 564151671 /nfs/dbraw/zinc/15/16/71/564151671.db2.gz SQJBBXKCKHRTEL-UHFFFAOYSA-N 0 0 348.349 4.409 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)CCC1CCCC1)CCC2 ZINC000002641139 564151685 /nfs/dbraw/zinc/15/16/85/564151685.db2.gz BBZIYVYLCGNZMP-UHFFFAOYSA-N 0 0 335.469 4.322 50 0 EIAARN Cc1ccc(OCCSc2nnc(-c3ccccc3C)n2C)cc1 ZINC000002641447 564151705 /nfs/dbraw/zinc/15/17/05/564151705.db2.gz KCEXTPPIIGVPSD-UHFFFAOYSA-N 0 0 339.464 4.270 50 0 EIAARN CCc1cccc2c(C(=O)COC(=O)c3ccc(C)s3)c[nH]c21 ZINC000002645694 564151824 /nfs/dbraw/zinc/15/18/24/564151824.db2.gz IRZNIQNMNSDWRS-UHFFFAOYSA-N 0 0 327.405 4.140 50 0 EIAARN CCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(F)cc1 ZINC000002721316 564152269 /nfs/dbraw/zinc/15/22/69/564152269.db2.gz QKWYLFPDKRMEGS-AWEZNQCLSA-N 0 0 339.414 4.467 50 0 EIAARN FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2ccnn21 ZINC000002747907 564152411 /nfs/dbraw/zinc/15/24/11/564152411.db2.gz ZRWNIQWGJUAZAP-UHFFFAOYSA-N 0 0 342.118 4.178 50 0 EIAARN CSc1ccsc1C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000303979644 564153278 /nfs/dbraw/zinc/15/32/78/564153278.db2.gz DVGOKLQUWMPCMZ-OAHLLOKOSA-N 0 0 343.473 4.087 50 0 EIAARN Cc1c(C)c(=O)oc2c1cc(Cl)c1c2CN(C2CCCC2)CO1 ZINC000057140737 564153307 /nfs/dbraw/zinc/15/33/07/564153307.db2.gz JEZRDZQBDQVMNH-UHFFFAOYSA-N 0 0 333.815 4.158 50 0 EIAARN CCOC(=O)c1oc2ccccc2c1CNc1nc2ccccc2o1 ZINC000057265412 564153421 /nfs/dbraw/zinc/15/34/21/564153421.db2.gz OQFCVWGWCZBBHQ-UHFFFAOYSA-N 0 0 336.347 4.363 50 0 EIAARN Cc1ccc(NC(=O)C[C@@]2(C)NN=C(c3ccccc3)S2)c(C)c1 ZINC000670426963 564153909 /nfs/dbraw/zinc/15/39/09/564153909.db2.gz ADTQPHHVTKNGDR-IBGZPJMESA-N 0 0 339.464 4.046 50 0 EIAARN CCCCc1cc(=O)oc2cc(OC(=O)c3cccs3)ccc12 ZINC000002976086 564153932 /nfs/dbraw/zinc/15/39/32/564153932.db2.gz WZQPBTAADQAQFH-UHFFFAOYSA-N 0 0 328.389 4.416 50 0 EIAARN O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412199 564154056 /nfs/dbraw/zinc/15/40/56/564154056.db2.gz UPBRAWAHAQYMJU-UHFFFAOYSA-N 0 0 337.810 4.471 50 0 EIAARN CN(C)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 ZINC000057412516 564154132 /nfs/dbraw/zinc/15/41/32/564154132.db2.gz VWFQNPKHRWOPJC-UHFFFAOYSA-N 0 0 340.814 4.048 50 0 EIAARN CC(C)[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 ZINC000057452436 564154320 /nfs/dbraw/zinc/15/43/20/564154320.db2.gz XBPBNVRLQHBGRH-PMACEKPBSA-N 0 0 340.442 4.132 50 0 EIAARN CC(C)[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 ZINC000057452439 564154335 /nfs/dbraw/zinc/15/43/35/564154335.db2.gz XBPBNVRLQHBGRH-WOJBJXKFSA-N 0 0 340.442 4.132 50 0 EIAARN COCCN(C(=S)Nc1ccccc1Cl)[C@H](C)c1cccnc1 ZINC000003036925 564154574 /nfs/dbraw/zinc/15/45/74/564154574.db2.gz RTNTVRABANHGGC-CYBMUJFWSA-N 0 0 349.887 4.141 50 0 EIAARN COCCN(C(=S)Nc1ccc(C)c(C)c1)[C@H](C)c1ccccn1 ZINC000003047319 564154683 /nfs/dbraw/zinc/15/46/83/564154683.db2.gz QJFGRMXBFXWPJV-MRXNPFEDSA-N 0 0 343.496 4.105 50 0 EIAARN C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl ZINC000057529607 564154753 /nfs/dbraw/zinc/15/47/53/564154753.db2.gz HLAMDRGKWMQGOB-FZKQIMNGSA-N 0 0 328.843 4.011 50 0 EIAARN COc1ccc(C=Cc2onc3c2C(=O)CC(C)(C)C3)cc1OC ZINC000230241169 564155247 /nfs/dbraw/zinc/15/52/47/564155247.db2.gz QIWNYUXWEVNJLM-VURMDHGXSA-N 0 0 327.380 4.017 50 0 EIAARN O=C(Nc1ccc(F)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 ZINC000003116994 564155255 /nfs/dbraw/zinc/15/52/55/564155255.db2.gz PVADAPIMNIUAEU-UHFFFAOYSA-N 0 0 349.230 4.455 50 0 EIAARN NC(=S)[C@@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000003133247 564155385 /nfs/dbraw/zinc/15/53/85/564155385.db2.gz BFHRJGOZOWUIKQ-NSHDSACASA-N 0 0 330.762 4.172 50 0 EIAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(C)cc1 ZINC000003229780 564156319 /nfs/dbraw/zinc/15/63/19/564156319.db2.gz ZIPMCVQIAIOEKU-UHFFFAOYSA-N 0 0 336.391 4.033 50 0 EIAARN CSc1ncccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000003260355 564156734 /nfs/dbraw/zinc/15/67/34/564156734.db2.gz XQCYMRVJHFWENS-UHFFFAOYSA-N 0 0 345.424 4.318 50 0 EIAARN c1ccc2c(c1)CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC000003340141 564157452 /nfs/dbraw/zinc/15/74/52/564157452.db2.gz JKPCEULHIROZLA-UHFFFAOYSA-N 0 0 338.414 4.255 50 0 EIAARN COc1ccc(C(C)=O)c(OC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000003360420 564157710 /nfs/dbraw/zinc/15/77/10/564157710.db2.gz GSUNERNVHOEVMF-UHFFFAOYSA-N 0 0 340.709 4.049 50 0 EIAARN COc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000030840591 564157919 /nfs/dbraw/zinc/15/79/19/564157919.db2.gz CJVRIUAJBJOLPT-UZLBHIALSA-N 0 0 339.435 4.135 50 0 EIAARN CCN(C)c1cccc(NC(=O)CCCOc2ccccc2C)c1 ZINC000058173923 564157965 /nfs/dbraw/zinc/15/79/65/564157965.db2.gz NXLJVVFFIYGKGJ-UHFFFAOYSA-N 0 0 326.440 4.249 50 0 EIAARN COc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1OC ZINC000003499304 564158466 /nfs/dbraw/zinc/15/84/66/564158466.db2.gz NPCMNTJLTWRCNB-UHFFFAOYSA-N 0 0 331.437 4.051 50 0 EIAARN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cn1 ZINC000003503932 564158537 /nfs/dbraw/zinc/15/85/37/564158537.db2.gz SWDIMKKQLKQVRP-VIFPVBQESA-N 0 0 349.868 4.464 50 0 EIAARN Cc1nn(C)c(Oc2ccccc2)c1CN[C@@H]1CCOc2ccccc21 ZINC000058326156 564158636 /nfs/dbraw/zinc/15/86/36/564158636.db2.gz JUNMWAUTFSUQAH-LJQANCHMSA-N 0 0 349.434 4.134 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000003524148 564158706 /nfs/dbraw/zinc/15/87/06/564158706.db2.gz BWLIHTQBWMOURY-LBPRGKRZSA-N 0 0 339.313 4.300 50 0 EIAARN C[C@@H]1CN(C(=O)c2cccc3ccccc32)C[C@@H](c2ccccc2)O1 ZINC000058427121 564159114 /nfs/dbraw/zinc/15/91/14/564159114.db2.gz SLOUOPQKWSRCJR-IERDGZPVSA-N 0 0 331.415 4.442 50 0 EIAARN O=C(Cc1ccncc1)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000355146348 564159290 /nfs/dbraw/zinc/15/92/90/564159290.db2.gz WTMZOKVPLSZHTR-UHFFFAOYSA-N 0 0 339.782 4.104 50 0 EIAARN C[C@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1Cl ZINC000031486838 564159428 /nfs/dbraw/zinc/15/94/28/564159428.db2.gz XAJWOADCIGCSAM-LBPRGKRZSA-N 0 0 343.789 4.156 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(Cl)sc1Cl ZINC000263095235 564159481 /nfs/dbraw/zinc/15/94/81/564159481.db2.gz IHRWTIOLORVNBX-LSJOCFKGSA-N 0 0 334.268 4.273 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000031532671 564159542 /nfs/dbraw/zinc/15/95/42/564159542.db2.gz ZLNKZERCJIWBCP-UHFFFAOYSA-N 0 0 347.418 4.167 50 0 EIAARN O=C1CCCN1c1ccc(OCc2cc(F)cc3cccnc32)cc1 ZINC000031609217 564159553 /nfs/dbraw/zinc/15/95/53/564159553.db2.gz RTOCIQIHWKGWHS-UHFFFAOYSA-N 0 0 336.366 4.080 50 0 EIAARN Cc1cc(N)nc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000031745665 564159748 /nfs/dbraw/zinc/15/97/48/564159748.db2.gz JJMPGERAEYSPEQ-UHFFFAOYSA-N 0 0 341.480 4.390 50 0 EIAARN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)n1cnc2ccccc21 ZINC000031835997 564160038 /nfs/dbraw/zinc/16/00/38/564160038.db2.gz YVICPUXFNCIDAC-MRXNPFEDSA-N 0 0 348.450 4.226 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12 ZINC000031903878 564160186 /nfs/dbraw/zinc/16/01/86/564160186.db2.gz BQQZSVQIXFFRAP-UHFFFAOYSA-N 0 0 347.480 4.193 50 0 EIAARN O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc2ccccc2n1 ZINC000032027850 564160529 /nfs/dbraw/zinc/16/05/29/564160529.db2.gz CSKHMJMHSUJJAT-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN O=C1C[C@@H](c2ccccc2)C(=O)N1C(c1ccccc1)c1ccccc1 ZINC000218909846 564161125 /nfs/dbraw/zinc/16/11/25/564161125.db2.gz GPQKKSSPMZEKHL-FQEVSTJZSA-N 0 0 341.410 4.319 50 0 EIAARN CCCC[C@H](CC)N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000059377756 564161161 /nfs/dbraw/zinc/16/11/61/564161161.db2.gz FBZPJUVAFSWZLB-PGRDOPGGSA-N 0 0 337.463 4.499 50 0 EIAARN COC(=O)c1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 ZINC000007989598 564161956 /nfs/dbraw/zinc/16/19/56/564161956.db2.gz SJCCQPOXJGAGMM-UHFFFAOYSA-N 0 0 329.352 4.079 50 0 EIAARN O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1ccncc1 ZINC000007989585 564161972 /nfs/dbraw/zinc/16/19/72/564161972.db2.gz IGSNTKPWBYNBQM-UHFFFAOYSA-N 0 0 346.415 4.361 50 0 EIAARN Cc1nc(CC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cs1 ZINC000007995583 564162041 /nfs/dbraw/zinc/16/20/41/564162041.db2.gz YKCXFGGGYCHLMV-UHFFFAOYSA-N 0 0 343.477 4.373 50 0 EIAARN O=C(NCCCCCc1nc(-c2cccs2)no1)C1CCCCC1 ZINC000008013426 564162155 /nfs/dbraw/zinc/16/21/55/564162155.db2.gz ORHGEPIYIQRHBT-UHFFFAOYSA-N 0 0 347.484 4.207 50 0 EIAARN O=C(CCc1ccco1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008039776 564162355 /nfs/dbraw/zinc/16/23/55/564162355.db2.gz FPTFMDGRPMTOMU-AWEZNQCLSA-N 0 0 340.448 4.228 50 0 EIAARN c1cc2c(cc1Nc1ncnc3sc4c(c31)CCC4)OCCCO2 ZINC000008054285 564162419 /nfs/dbraw/zinc/16/24/19/564162419.db2.gz PUMLDFFVQQQBMR-UHFFFAOYSA-N 0 0 339.420 4.085 50 0 EIAARN COc1ccccc1OCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000008072903 564162534 /nfs/dbraw/zinc/16/25/34/564162534.db2.gz NATUYAJFWGMUAS-HNNXBMFYSA-N 0 0 335.403 4.105 50 0 EIAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=S)NC1CC1 ZINC000008080643 564162613 /nfs/dbraw/zinc/16/26/13/564162613.db2.gz BIPYUBNHFYHTKV-UHFFFAOYSA-N 0 0 340.492 4.124 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000263525847 564162758 /nfs/dbraw/zinc/16/27/58/564162758.db2.gz UAKUGYRBEPQKEY-XIRDDKMYSA-N 0 0 342.464 4.028 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000263533617 564162939 /nfs/dbraw/zinc/16/29/39/564162939.db2.gz XXTKDLWLVLBGCD-BNOWGMLFSA-N 0 0 348.493 4.089 50 0 EIAARN C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)N1CCCCCC1 ZINC000008135598 564163137 /nfs/dbraw/zinc/16/31/37/564163137.db2.gz FHTHSGYDOLXKOO-NSHDSACASA-N 0 0 337.876 4.100 50 0 EIAARN COc1cccc(CSc2nnc(NCc3ccccc3)s2)c1 ZINC000008192259 564163486 /nfs/dbraw/zinc/16/34/86/564163486.db2.gz FBMYCXCPSSILIP-UHFFFAOYSA-N 0 0 343.477 4.451 50 0 EIAARN C[C@H](NC(=O)CCC(=O)c1cccs1)c1cc2ccccc2o1 ZINC000008237506 564163759 /nfs/dbraw/zinc/16/37/59/564163759.db2.gz ZYPCDTGZOYVPCP-LBPRGKRZSA-N 0 0 327.405 4.335 50 0 EIAARN O=C(NCc1cccc(Cl)c1)c1csc(-c2cccs2)n1 ZINC000008274027 564163941 /nfs/dbraw/zinc/16/39/41/564163941.db2.gz YYUZSNFIFAQOFR-UHFFFAOYSA-N 0 0 334.853 4.455 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000008273856 564163958 /nfs/dbraw/zinc/16/39/58/564163958.db2.gz WJQMTHUFGPXIAR-INIZCTEOSA-N 0 0 347.462 4.299 50 0 EIAARN Cc1cc(F)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000008302837 564164127 /nfs/dbraw/zinc/16/41/27/564164127.db2.gz FNQIFQJVOMDQCC-UHFFFAOYSA-N 0 0 338.338 4.232 50 0 EIAARN CCc1ccc2c(CC(=O)Nc3nc4c(s3)CCC4)coc2c1 ZINC000008313202 564164210 /nfs/dbraw/zinc/16/42/10/564164210.db2.gz HTHWNKNLCCBONT-UHFFFAOYSA-N 0 0 326.421 4.122 50 0 EIAARN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2ccccc2s1 ZINC000008315307 564164240 /nfs/dbraw/zinc/16/42/40/564164240.db2.gz ZSLDDRYUFVHVHC-HNNXBMFYSA-N 0 0 340.448 4.061 50 0 EIAARN CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000008320552 564164276 /nfs/dbraw/zinc/16/42/76/564164276.db2.gz PXUYXISESHQLFV-CQSZACIVSA-N 0 0 332.494 4.246 50 0 EIAARN O=C([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)cc1 ZINC000263574449 564164347 /nfs/dbraw/zinc/16/43/47/564164347.db2.gz NPJZFOIGBBUDFI-JOCHJYFZSA-N 0 0 335.447 4.255 50 0 EIAARN CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1C1CC1 ZINC000008327882 564164491 /nfs/dbraw/zinc/16/44/91/564164491.db2.gz VNVBABYSSXQBEO-VIFPVBQESA-N 0 0 347.469 4.140 50 0 EIAARN Cc1cccc(-c2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1 ZINC000008330103 564164528 /nfs/dbraw/zinc/16/45/28/564164528.db2.gz VROPAEYEMNDOJQ-UHFFFAOYSA-N 0 0 340.423 4.117 50 0 EIAARN CC(=O)Nc1cccc(Oc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000008389440 564164864 /nfs/dbraw/zinc/16/48/64/564164864.db2.gz LJKMCMROTOJQTM-UHFFFAOYSA-N 0 0 347.296 4.399 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)Cc2ccc(NC(C)=O)cc2)CC1 ZINC000008389124 564164885 /nfs/dbraw/zinc/16/48/85/564164885.db2.gz QHLDPFZOEXMGLW-UHFFFAOYSA-N 0 0 344.499 4.299 50 0 EIAARN CC[C@H](C(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000008406121 564165168 /nfs/dbraw/zinc/16/51/68/564165168.db2.gz XSAPWAIXKQLCRM-IBGZPJMESA-N 0 0 338.451 4.301 50 0 EIAARN CC(=O)Nc1cc(NC(=O)c2sccc2C2CC2)c(F)cc1F ZINC000067238386 564165384 /nfs/dbraw/zinc/16/53/84/564165384.db2.gz JGYGDCLVEBDMOD-UHFFFAOYSA-N 0 0 336.363 4.114 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3NCCc2ccccc2)cc1C ZINC000008583037 564165854 /nfs/dbraw/zinc/16/58/54/564165854.db2.gz USUJCKNTBVLOIZ-UHFFFAOYSA-N 0 0 343.434 4.087 50 0 EIAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000008587038 564165866 /nfs/dbraw/zinc/16/58/66/564165866.db2.gz HYEAEWRFUMZUPT-NRFANRHFSA-N 0 0 347.462 4.385 50 0 EIAARN CCOc1ccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)cc1 ZINC000008602762 564166030 /nfs/dbraw/zinc/16/60/30/564166030.db2.gz 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/nfs/dbraw/zinc/16/85/50/564168550.db2.gz AVHRWXFDQWOCOK-OAHLLOKOSA-N 0 0 337.419 4.121 50 0 EIAARN O=C(C[C@@H]1OCCc2sccc21)N1CCC[C@@H]1c1ccsc1 ZINC000069418813 564169311 /nfs/dbraw/zinc/16/93/11/564169311.db2.gz MTLTXPLGBZDJDF-CABCVRRESA-N 0 0 333.478 4.177 50 0 EIAARN O=C(C[C@H]1OCCc2sccc21)N1CCC[C@H]1c1ccsc1 ZINC000069418809 564169327 /nfs/dbraw/zinc/16/93/27/564169327.db2.gz MTLTXPLGBZDJDF-LSDHHAIUSA-N 0 0 333.478 4.177 50 0 EIAARN CC(C)c1nc(CCNC(=O)c2ccccc2C(F)(F)F)cs1 ZINC000069518632 564170091 /nfs/dbraw/zinc/17/00/91/564170091.db2.gz HQBNKRAGYUDAEQ-UHFFFAOYSA-N 0 0 342.386 4.258 50 0 EIAARN Cc1ccsc1-c1nnc(SCc2cn3cccc(C)c3n2)o1 ZINC000069560917 564170460 /nfs/dbraw/zinc/17/04/60/564170460.db2.gz OUIUQVHZHRMSMN-UHFFFAOYSA-N 0 0 342.449 4.355 50 0 EIAARN CCOC1CCN(C(=O)N[C@@H](C)c2ccc(SCC)cc2)CC1 ZINC000069587389 564170724 /nfs/dbraw/zinc/17/07/24/564170724.db2.gz LVCLGSGRWGQLIX-AWEZNQCLSA-N 0 0 336.501 4.070 50 0 EIAARN CN(C)c1ccc(NC(=O)N2Cc3ccccc3C2)c(C(F)(F)F)c1 ZINC000069651984 564171136 /nfs/dbraw/zinc/17/11/36/564171136.db2.gz OYAYWMPAOIDZHE-UHFFFAOYSA-N 0 0 349.356 4.319 50 0 EIAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccncc1 ZINC000069705795 564171664 /nfs/dbraw/zinc/17/16/64/564171664.db2.gz IWFYHVGOQWQNBB-CQSZACIVSA-N 0 0 336.464 4.452 50 0 EIAARN O=C(Cc1cccs1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000069744855 564171969 /nfs/dbraw/zinc/17/19/69/564171969.db2.gz QKDLARGUJKTVGY-CQSZACIVSA-N 0 0 340.448 4.224 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000069757205 564171999 /nfs/dbraw/zinc/17/19/99/564171999.db2.gz HKJCRAYSFAWBKF-OAHLLOKOSA-N 0 0 347.462 4.370 50 0 EIAARN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)[C@H]1CCCO1 ZINC000069809416 564172231 /nfs/dbraw/zinc/17/22/31/564172231.db2.gz FXJYGPGIKKSCRF-MRXNPFEDSA-N 0 0 341.798 4.001 50 0 EIAARN Cc1occc1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000069844839 564172472 /nfs/dbraw/zinc/17/24/72/564172472.db2.gz LOUPYTKHZNWWMB-UHFFFAOYSA-N 0 0 346.814 4.120 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000069846352 564172508 /nfs/dbraw/zinc/17/25/08/564172508.db2.gz QYHIRISBHJTJQF-INIZCTEOSA-N 0 0 348.450 4.032 50 0 EIAARN Cc1nccn1[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000069849533 564172514 /nfs/dbraw/zinc/17/25/14/564172514.db2.gz PMVKSOOGBZXNIM-HNNXBMFYSA-N 0 0 343.427 4.023 50 0 EIAARN COCCNc1ccc(CNC(=O)Nc2ccccc2C(C)C)cc1 ZINC000069875656 564172617 /nfs/dbraw/zinc/17/26/17/564172617.db2.gz BZCLIGWRJCXNRV-UHFFFAOYSA-N 0 0 341.455 4.190 50 0 EIAARN Cc1noc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000069896696 564172725 /nfs/dbraw/zinc/17/27/25/564172725.db2.gz OXMQNANECFBJID-HXUWFJFHSA-N 0 0 347.418 4.034 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C ZINC000041095355 564173165 /nfs/dbraw/zinc/17/31/65/564173165.db2.gz BBJDCDTVEBBBTM-RHSMWYFYSA-N 0 0 339.501 4.031 50 0 EIAARN COc1ccc2oc(C)c(C(=O)Nc3cc(OC)ccc3OC)c2c1 ZINC000041156513 564173583 /nfs/dbraw/zinc/17/35/83/564173583.db2.gz PNOPCTYIIXDZHI-UHFFFAOYSA-N 0 0 341.363 4.019 50 0 EIAARN CC(C)n1cc(C(=O)Nc2cccc3[nH]ccc32)c2ccccc2c1=O ZINC000070666367 564174277 /nfs/dbraw/zinc/17/42/77/564174277.db2.gz VUHNNCKEHJIAKA-UHFFFAOYSA-N 0 0 345.402 4.316 50 0 biogenic EIAARN CSc1ccccc1NC(=O)CN(C)c1nc2ccccc2s1 ZINC000070972794 564174587 /nfs/dbraw/zinc/17/45/87/564174587.db2.gz MTKYZEDMVDPOHY-UHFFFAOYSA-N 0 0 343.477 4.093 50 0 EIAARN Cn1ccnc1[C@@H](NCc1cccc(Cl)c1)c1cccc(F)c1 ZINC000042203887 564174745 /nfs/dbraw/zinc/17/47/45/564174745.db2.gz FJPXCCVTICJPIX-KRWDZBQOSA-N 0 0 329.806 4.092 50 0 EIAARN CC(C)NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000071279687 564174800 /nfs/dbraw/zinc/17/48/00/564174800.db2.gz PZPYCZRHZXWMDB-CYBMUJFWSA-N 0 0 330.255 4.030 50 0 EIAARN O=c1[nH]n(C2CCCC2)c2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000071280179 564174863 /nfs/dbraw/zinc/17/48/63/564174863.db2.gz ZUQMFEDSWRFCAV-ZDUSSCGKSA-N 0 0 331.803 4.069 50 0 EIAARN COc1ccc([C@@H](C)N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)cc1 ZINC000071796265 564175351 /nfs/dbraw/zinc/17/53/51/564175351.db2.gz RYLCNMFQNKUXCQ-CYBMUJFWSA-N 0 0 338.407 4.018 50 0 EIAARN CCNC(=O)CSc1ccc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000071796273 564175359 /nfs/dbraw/zinc/17/53/59/564175359.db2.gz QJDSUDSGHSGBNS-UHFFFAOYSA-N 0 0 347.439 4.279 50 0 EIAARN Cn1cc([C@H]2CCCN2Cc2coc(-c3ccccc3Cl)n2)cn1 ZINC000071797108 564175424 /nfs/dbraw/zinc/17/54/24/564175424.db2.gz LOHOXHVUWRQTMA-QGZVFWFLSA-N 0 0 342.830 4.066 50 0 EIAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@@H]1CCOC1 ZINC000071832947 564175763 /nfs/dbraw/zinc/17/57/63/564175763.db2.gz PMNSXNOJHHGMGW-GFCCVEGCSA-N 0 0 340.404 4.064 50 0 EIAARN Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000071837416 564175818 /nfs/dbraw/zinc/17/58/18/564175818.db2.gz KCYLWFYTAFHEDH-OCCSQVGLSA-N 0 0 339.361 4.380 50 0 EIAARN CCOc1ccccc1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 ZINC000071841891 564175837 /nfs/dbraw/zinc/17/58/37/564175837.db2.gz XBIRNCUVMUCMQA-ROUUACIJSA-N 0 0 339.435 4.188 50 0 EIAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(COC)n1 ZINC000071844370 564175921 /nfs/dbraw/zinc/17/59/21/564175921.db2.gz JEVLESHCHHKJEU-NVXWUHKLSA-N 0 0 344.480 4.088 50 0 EIAARN Cc1noc(C)c1COC(=O)c1cccc2c3c([nH]c21)CC[C@H](C)C3 ZINC000071850403 564175991 /nfs/dbraw/zinc/17/59/91/564175991.db2.gz CCZNLJFEZTXDQO-NSHDSACASA-N 0 0 338.407 4.255 50 0 EIAARN CC[C@H](NC(=O)N[C@H]1CCCOc2ccccc21)c1nc(C)cs1 ZINC000071856670 564176066 /nfs/dbraw/zinc/17/60/66/564176066.db2.gz QWGLOHPAEDVGCE-GJZGRUSLSA-N 0 0 345.468 4.116 50 0 EIAARN CC[C@@H]1CN(C(=O)c2oc(-c3ccccc3)nc2C)c2ccccc2O1 ZINC000074065400 564176459 /nfs/dbraw/zinc/17/64/59/564176459.db2.gz YYSQNLLPAKELDG-MRXNPFEDSA-N 0 0 348.402 4.468 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCOc2ccccc21 ZINC000076764245 564176481 /nfs/dbraw/zinc/17/64/81/564176481.db2.gz KRYCAVMCRNWSSG-HNNXBMFYSA-N 0 0 336.416 4.315 50 0 EIAARN O=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CCOc2ccccc21 ZINC000076791276 564176523 /nfs/dbraw/zinc/17/65/23/564176523.db2.gz CMGYDWLRHYYJRT-HNNXBMFYSA-N 0 0 336.416 4.315 50 0 EIAARN O=C(CC(c1ccccc1)c1ccccc1)NCC[C@@H](O)c1ccco1 ZINC000077111317 564176582 /nfs/dbraw/zinc/17/65/82/564176582.db2.gz YYHMBPFFJYOICE-HXUWFJFHSA-N 0 0 349.430 4.042 50 0 EIAARN c1cn(-c2cc(Oc3ccc(Sc4ccncc4)cc3)ncn2)cn1 ZINC000077214601 564176645 /nfs/dbraw/zinc/17/66/45/564176645.db2.gz OSCXCAJSYTUNRK-UHFFFAOYSA-N 0 0 347.403 4.001 50 0 EIAARN O=C(N[C@@H](Sc1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000000389970 568414622 /nfs/dbraw/zinc/41/46/22/568414622.db2.gz PLGKXEPYTSSYAC-NRFANRHFSA-N 0 0 347.439 4.418 50 0 EIAARN COc1ccc2c(cc(Br)n2C(=O)OC(C)(C)C)c1 ZINC000261493832 568419338 /nfs/dbraw/zinc/41/93/38/568419338.db2.gz KDSCECBRHJLZKY-UHFFFAOYSA-N 0 0 326.190 4.196 50 0 EIAARN C[C@H]1CCSCCN1C(=O)Nc1ccccc1-c1ccncc1 ZINC000192231575 568420729 /nfs/dbraw/zinc/42/07/29/568420729.db2.gz WQOHGOJBVHSPNM-AWEZNQCLSA-N 0 0 327.453 4.108 50 0 EIAARN C[C@H](c1ccco1)N(C)C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000078832367 1020189600 /nfs/dbraw/zinc/18/96/00/1020189600.db2.gz CDZAQFCYXZJFTC-OAHLLOKOSA-N 0 0 335.407 4.276 50 0 EIAARN Cc1cc(-c2nc([C@H]3CC(=O)N(C4CCCC4)C3)[nH]c2C)c(C)s1 ZINC000023398884 1021519811 /nfs/dbraw/zinc/51/98/11/1021519811.db2.gz HLSYOHUFNMGTDZ-AWEZNQCLSA-N 0 0 343.496 4.322 50 0 EIAARN Cc1cccc2c(CCC(=O)Nc3cnn([C@H](C)C4CC4)c3)c[nH]c21 ZINC000186356261 1022571063 /nfs/dbraw/zinc/57/10/63/1022571063.db2.gz LUKGMYRVWFTOSW-CQSZACIVSA-N 0 0 336.439 4.215 50 0 EIAARN Cc1cc(N(CCO)Cc2ccccc2)nc2cc(Cl)ccc12 ZINC000023634604 1022707009 /nfs/dbraw/zinc/70/70/09/1022707009.db2.gz AMYWYYJXRRTCHY-UHFFFAOYSA-N 0 0 326.827 4.196 50 0 EIAARN O=C(N[C@@H]1CCCc2sccc21)c1csc(C(F)(F)F)n1 ZINC000193838400 1022761775 /nfs/dbraw/zinc/76/17/75/1022761775.db2.gz AUTXDGPJRJTKBN-MRVPVSSYSA-N 0 0 332.372 4.031 50 0 EIAARN CCCN(CC1CC1)Cn1[nH]c(/C=C/c2ccc(C)o2)nc1=S ZINC000014197732 1022830229 /nfs/dbraw/zinc/83/02/29/1022830229.db2.gz RVXKPGIAXVGWJA-CMDGGOBGSA-N 0 0 332.473 4.092 50 0 EIAARN O=C(NCC(c1ccco1)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000675007881 1023311073 /nfs/dbraw/zinc/31/10/73/1023311073.db2.gz YTULBRAIJSKASN-UHFFFAOYSA-N 0 0 349.308 4.453 50 0 EIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](c2ccsc2)C1 ZINC000675008421 1023311935 /nfs/dbraw/zinc/31/19/35/1023311935.db2.gz XSBLHLBMDOILPV-LBPRGKRZSA-N 0 0 325.355 4.397 50 0 EIAARN O=C(CCC1CCCCC1)N1CCC[C@@H]1CCc1noc(C2CC2)n1 ZINC000675021140 1023327918 /nfs/dbraw/zinc/32/79/18/1023327918.db2.gz WRKOEECBYXVCIU-QGZVFWFLSA-N 0 0 345.487 4.231 50 0 EIAARN Cc1cc2c(N)c(C(=O)Nc3ccc(F)cc3F)sc2nc1C ZINC000675030264 1023341330 /nfs/dbraw/zinc/34/13/30/1023341330.db2.gz WYQZOMKSDHEHHV-UHFFFAOYSA-N 0 0 333.363 4.026 50 0 EIAARN C[C@@H](C(=O)Nc1ccc(F)cc1)n1cc(Oc2ccc(F)cc2)cn1 ZINC000675030579 1023342194 /nfs/dbraw/zinc/34/21/94/1023342194.db2.gz PWAANOXTYNENPD-LBPRGKRZSA-N 0 0 343.333 4.153 50 0 EIAARN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC(C)(C)c1ccc(C)nc1 ZINC000330841623 1023634142 /nfs/dbraw/zinc/63/41/42/1023634142.db2.gz ZXTNOQVMUXOUNE-JLSDUUJJSA-N 0 0 332.488 4.115 50 0 EIAARN O=C(Nc1ccc(Oc2ccccc2)nc1)c1coc(C2CCC2)n1 ZINC000194076692 1024103762 /nfs/dbraw/zinc/10/37/62/1024103762.db2.gz SFAUSGPRPBPJFB-UHFFFAOYSA-N 0 0 335.363 4.382 50 0 EIAARN COc1ccc(-c2csc(Nc3ccc(F)cn3)n2)cc1OC ZINC000049006109 1024792122 /nfs/dbraw/zinc/79/21/22/1024792122.db2.gz CHKLBZRUQFMZPW-UHFFFAOYSA-N 0 0 331.372 4.105 50 0 EIAARN Clc1ccc(N=NCc2ccccc2OCc2ccccc2)nn1 ZINC000254617925 1024966719 /nfs/dbraw/zinc/96/67/19/1024966719.db2.gz DRMLBEPPLSIVIW-UHFFFAOYSA-N 0 0 338.798 4.155 50 0 EIAARN S=C1N=NC(c2cccc(Cl)c2)N1N=Cc1cccc(Cl)c1 ZINC000254815497 1025000969 /nfs/dbraw/zinc/00/09/69/1025000969.db2.gz CVYIAXGULLROHO-UHFFFAOYSA-N 0 0 349.246 4.423 50 0 EIAARN Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)Cc1cccs1 ZINC000000802342 1025485604 /nfs/dbraw/zinc/48/56/04/1025485604.db2.gz QZXFWWVWOVBBBJ-UHFFFAOYSA-N 0 0 340.404 4.083 50 0 EIAARN COc1ccc([C@@H]2O[C@H]2C(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1 ZINC000018011361 1025496300 /nfs/dbraw/zinc/49/63/00/1025496300.db2.gz NONMRNVMRORZLC-OOMCBONISA-N 0 0 349.430 4.016 50 0 EIAARN O=C(C[C@H](Cn1cccc1)c1ccccc1)N1CCc2ccccc2C1 ZINC000888105171 1026156253 /nfs/dbraw/zinc/15/62/53/1026156253.db2.gz YWDYCARDGFZTAV-JOCHJYFZSA-N 0 0 344.458 4.247 50 0 EIAARN CC(C)(C)Nc1ncnc2scc([C@@H]3COc4ccccc4O3)c21 ZINC000006702440 1026507787 /nfs/dbraw/zinc/50/77/87/1026507787.db2.gz GNRQUIJIJLEGTD-AWEZNQCLSA-N 0 0 341.436 4.414 50 0 EIAARN CNC(=O)c1ccc(/C=C(\Cl)c2nc3cc(F)ccc3o2)cc1 ZINC000176907800 1030411058 /nfs/dbraw/zinc/41/10/58/1030411058.db2.gz UIFSAQANEWQMGB-JYRVWZFOSA-N 0 0 330.746 4.063 50 0 EIAARN CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)s1 ZINC000194766718 1030463092 /nfs/dbraw/zinc/46/30/92/1030463092.db2.gz LRJZIFMWRHXTCZ-UHFFFAOYSA-N 0 0 342.464 4.107 50 0 EIAARN COc1ncc(C)cc1NC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000673765551 1031087154 /nfs/dbraw/zinc/08/71/54/1031087154.db2.gz AGEFGDDQRFLUDE-HNNXBMFYSA-N 0 0 329.400 4.141 50 0 EIAARN O=C1c2ccccc2N[C@@H](/C=C/c2ccco2)N1CCc1ccccc1 ZINC000065980681 1031657595 /nfs/dbraw/zinc/65/75/95/1031657595.db2.gz RIKVWEOJLHFJPY-JNCYCUAHSA-N 0 0 344.414 4.430 50 0 EIAARN COC1=CC2=CC[C@H]3[C@H]4CC[C@](O)(C(C)=O)[C@]4(C)CC[C@@H]3[C@]2(C)CC1 ZINC000257355396 1034627138 /nfs/dbraw/zinc/62/71/38/1034627138.db2.gz AMLZABRDYNLKCX-LYSZKAAZSA-N 0 0 344.495 4.410 50 0 EIAARN Cn1nc(C(=O)Nc2cccc(Cl)c2)c2c1-c1ccsc1CC2 ZINC000006917428 1039858726 /nfs/dbraw/zinc/85/87/26/1039858726.db2.gz OXJBFMROGYVGMF-UHFFFAOYSA-N 0 0 343.839 4.153 50 0 EIAARN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2ccn(C)c2c1 ZINC000083572639 1040806721 /nfs/dbraw/zinc/80/67/21/1040806721.db2.gz DENKQTLFPSNNCW-OAHLLOKOSA-N 0 0 348.450 4.051 50 0 EIAARN COc1ccccc1N1C(=O)c2ccccc2/C(=C\c2ccco2)C1=O ZINC000083980497 1040981553 /nfs/dbraw/zinc/98/15/53/1040981553.db2.gz XKEBWTMRTAHIGM-GHRIWEEISA-N 0 0 345.354 4.016 50 0 EIAARN Cc1ccc(COc2ccc(CN=Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000254514448 1042547849 /nfs/dbraw/zinc/54/78/49/1042547849.db2.gz NNRDQHPHOJVSMT-UHFFFAOYSA-N 0 0 346.434 4.427 50 0 EIAARN CCO[C@@H]1C[C@H](N(C)C(=O)/C=C\c2csc(C)n2)C12CCCCC2 ZINC000606444230 1043066758 /nfs/dbraw/zinc/06/67/58/1043066758.db2.gz WSJKGXRKSCUVQD-LZDOZHLXSA-N 0 0 348.512 4.051 50 0 EIAARN CC(C)(C)c1cnc(NC(=O)N2CCOC[C@H]2c2ccccc2)s1 ZINC000608333562 1043079521 /nfs/dbraw/zinc/07/95/21/1043079521.db2.gz GRGLYEWVKYVJDK-AWEZNQCLSA-N 0 0 345.468 4.046 50 0 EIAARN O=C(NCc1ccc(F)cc1)NC[C@@H](c1ccsc1)c1ccco1 ZINC000618257573 1043154435 /nfs/dbraw/zinc/15/44/35/1043154435.db2.gz ZYIXPUDUBWPCHO-INIZCTEOSA-N 0 0 344.411 4.112 50 0 EIAARN Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(N)cc3)cc2)cc1 ZINC000034133402 1043253760 /nfs/dbraw/zinc/25/37/60/1043253760.db2.gz FYQDMLBWORCYQY-UHFFFAOYSA-N 0 0 339.416 4.202 50 0 EIAARN O=c1ccnc(C(=Cc2ccc(Cl)c(F)c2)Cc2ccccc2)[nH]1 ZINC000427290382 1043742131 /nfs/dbraw/zinc/74/21/31/1043742131.db2.gz ZSDTTWVVPMWHMM-RVDMUPIBSA-N 0 0 340.785 4.346 50 0 EIAARN C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)Cc2cccnc2)C1 ZINC000822416771 1044090250 /nfs/dbraw/zinc/09/02/50/1044090250.db2.gz JFJUDOBHPXCUMD-AWEZNQCLSA-N 0 0 343.858 4.153 50 0 EIAARN CC[C@H](NC(=O)c1cnc2ccccc2c1)c1nc(C)c(C)s1 ZINC000822668878 1044138336 /nfs/dbraw/zinc/13/83/36/1044138336.db2.gz NACMKKFRXRHFET-HNNXBMFYSA-N 0 0 325.437 4.189 50 0 EIAARN CCCc1ccc(C(=O)NCc2cncc(-c3cccnc3)c2)cc1 ZINC000823010356 1044207614 /nfs/dbraw/zinc/20/76/14/1044207614.db2.gz KGGOJBNVDGDKGO-UHFFFAOYSA-N 0 0 331.419 4.026 50 0 EIAARN CCn1c(C)cc2cc(NC(=O)c3cc(CC(C)C)on3)ccc21 ZINC000823582643 1044291029 /nfs/dbraw/zinc/29/10/29/1044291029.db2.gz VASXGCRKFBDGAQ-UHFFFAOYSA-N 0 0 325.412 4.408 50 0 EIAARN CC(C)(C)c1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000377843897 1044399802 /nfs/dbraw/zinc/39/98/02/1044399802.db2.gz SKYKQHFOKPVHIA-AWEZNQCLSA-N 0 0 339.439 4.493 50 0 EIAARN CC(C)c1nc2cc(NS(=O)(=O)/C=C/c3ccccc3)ccc2o1 ZINC000032097631 1044533909 /nfs/dbraw/zinc/53/39/09/1044533909.db2.gz 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CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccc1)CO3 ZINC000055393825 214318662 /nfs/dbraw/zinc/31/86/62/214318662.db2.gz YTRUOXOYJQUOLO-UHFFFAOYSA-N 0 0 335.403 4.016 50 0 EIAARN CCc1cc([C@H](C)NC(=O)CSCc2ccccc2Cl)on1 ZINC000055413714 214321359 /nfs/dbraw/zinc/32/13/59/214321359.db2.gz HVNZIWNSVIJCPR-NSHDSACASA-N 0 0 338.860 4.001 50 0 EIAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1ccccn1 ZINC000055520815 214327464 /nfs/dbraw/zinc/32/74/64/214327464.db2.gz UEYCPDXFWCOGLJ-CQSZACIVSA-N 0 0 341.461 4.244 50 0 EIAARN CCc1cccc(CC)c1NC(=O)/C=C\c1ccc(NC(C)=O)cc1 ZINC000055551344 214329567 /nfs/dbraw/zinc/32/95/67/214329567.db2.gz LCYUIRHJKPETPG-KAMYIIQDSA-N 0 0 336.435 4.422 50 0 EIAARN Cc1nc2ccc(C(=O)N3CCC[C@H]3C3CCCCC3)cc2nc1C ZINC000055600005 214333317 /nfs/dbraw/zinc/33/33/17/214333317.db2.gz NEQBBFDOEYUVHI-FQEVSTJZSA-N 0 0 337.467 4.432 50 0 EIAARN Cc1ccccc1Nc1nc(C(=O)N2CCc3ccccc3C2)cs1 ZINC000004687890 210247338 /nfs/dbraw/zinc/24/73/38/210247338.db2.gz WJVHUDVQUVDLJX-UHFFFAOYSA-N 0 0 349.459 4.394 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)o1 ZINC000055860388 214345095 /nfs/dbraw/zinc/34/50/95/214345095.db2.gz UXMNHUXSFPHONR-CQSZACIVSA-N 0 0 334.213 4.328 50 0 EIAARN Cc1cc(/C=C\C(=O)NC[C@@H]2CCCOC2)c(C)n1C1CCCCC1 ZINC000055922538 214348866 /nfs/dbraw/zinc/34/88/66/214348866.db2.gz DAASZFLZINHEFX-LENZSSGSSA-N 0 0 344.499 4.166 50 0 EIAARN Cc1cccnc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000056407986 214374976 /nfs/dbraw/zinc/37/49/76/214374976.db2.gz APKRGFYXKOYKER-UHFFFAOYSA-N 0 0 347.205 4.135 50 0 EIAARN O=C(Nc1ccncc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000056500548 214376505 /nfs/dbraw/zinc/37/65/05/214376505.db2.gz ITDXPSFPBGCWKX-SFHVURJKSA-N 0 0 335.432 4.323 50 0 EIAARN CCCCNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000056765062 214387493 /nfs/dbraw/zinc/38/74/93/214387493.db2.gz ISJNRFWRKMPGLU-UHFFFAOYSA-N 0 0 335.791 4.107 50 0 EIAARN Cc1csc(CNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)n1 ZINC000056853390 214391782 /nfs/dbraw/zinc/39/17/82/214391782.db2.gz OYOAZBXTOYWBME-SNVBAGLBSA-N 0 0 343.374 4.031 50 0 EIAARN O=C(CSCc1ccccc1)Nc1nnc(-c2ccccc2)s1 ZINC000056894590 214394545 /nfs/dbraw/zinc/39/45/45/214394545.db2.gz YKCPQCKKJPXJOS-UHFFFAOYSA-N 0 0 341.461 4.077 50 0 EIAARN CCc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000057413480 214426742 /nfs/dbraw/zinc/42/67/42/214426742.db2.gz WBTZHHNRYBHXSH-UHFFFAOYSA-N 0 0 339.826 4.223 50 0 EIAARN Fc1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn32)cc1 ZINC000004664961 210240999 /nfs/dbraw/zinc/24/09/99/210240999.db2.gz LEFSKMHXSAJYCS-UHFFFAOYSA-N 0 0 336.351 4.405 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004660358 210239848 /nfs/dbraw/zinc/23/98/48/210239848.db2.gz FVAOBAAJFRWURS-MISXGVKJSA-N 0 0 330.255 4.456 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000058265788 214521541 /nfs/dbraw/zinc/52/15/41/214521541.db2.gz WEPDCJRQKSPAPB-LLVKDONJSA-N 0 0 331.803 4.181 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000004660357 210239744 /nfs/dbraw/zinc/23/97/44/210239744.db2.gz FVAOBAAJFRWURS-JTNHKYCSSA-N 0 0 330.255 4.456 50 0 EIAARN O=C(Nc1ccc(NCc2ccccn2)cc1)c1ccc(F)cc1F ZINC000058244711 214514002 /nfs/dbraw/zinc/51/40/02/214514002.db2.gz OMGPMKXNKNEETP-UHFFFAOYSA-N 0 0 339.345 4.224 50 0 EIAARN CC(C)[C@H](NC(=O)/C=C\c1cccs1)c1ccc2c(c1)OCCO2 ZINC000097997453 219066338 /nfs/dbraw/zinc/06/63/38/219066338.db2.gz HVZPQGWXXUSSKI-QJSCKGPTSA-N 0 0 343.448 4.046 50 0 EIAARN C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2ccc(F)cc2F)C[C@@H]1C ZINC000004654035 210238119 /nfs/dbraw/zinc/23/81/19/210238119.db2.gz RPFFOOSNJXMCPE-DYEKYZERSA-N 0 0 339.382 4.051 50 0 EIAARN CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1-c1c(C)cccc1C ZINC000004644950 210236864 /nfs/dbraw/zinc/23/68/64/210236864.db2.gz GLZGZARXNNMGBA-HXUWFJFHSA-N 0 0 335.455 4.325 50 0 EIAARN CCN(C(=O)Nc1ccc(C(C)=O)cc1)[C@@H](C)c1cccc(O)c1 ZINC000058298816 214536471 /nfs/dbraw/zinc/53/64/71/214536471.db2.gz NKHWAPAHTVRKTA-ZDUSSCGKSA-N 0 0 326.396 4.210 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1 ZINC000004644721 210236680 /nfs/dbraw/zinc/23/66/80/210236680.db2.gz JECKPEAUCMDMSW-UHFFFAOYSA-N 0 0 337.375 4.224 50 0 EIAARN CCCn1cc(C(=O)Nc2nc3c(s2)CCC3)c2ccccc21 ZINC000058366898 214563811 /nfs/dbraw/zinc/56/38/11/214563811.db2.gz BRSIVTOGRIELHB-UHFFFAOYSA-N 0 0 325.437 4.249 50 0 EIAARN CC(C)(C)c1ncc(NC(=O)c2cc3c(s2)CCCCC3)cn1 ZINC000058406796 214575704 /nfs/dbraw/zinc/57/57/04/214575704.db2.gz KKHWHXBOAPUXQU-UHFFFAOYSA-N 0 0 329.469 4.357 50 0 EIAARN O=C(NCc1nc2ccccc2[nH]1)c1sc2ccccc2c1Cl ZINC000004625438 210234412 /nfs/dbraw/zinc/23/44/12/210234412.db2.gz GGLFDEJGUQYZQG-UHFFFAOYSA-N 0 0 341.823 4.361 50 0 EIAARN Clc1ccc(/C=C\c2nn3c(nnc3-c3ccccn3)s2)cc1 ZINC000098028043 219071292 /nfs/dbraw/zinc/07/12/92/219071292.db2.gz FYNBZMMNECICBR-TWGQIWQCSA-N 0 0 339.811 4.072 50 0 EIAARN O=C(/C=C\c1ccc(Cl)cc1)N(C[C@H]1CCOC1)c1ccccc1 ZINC000098054662 219074275 /nfs/dbraw/zinc/07/42/75/219074275.db2.gz PKCVSLUIRSQDDO-SDMNGIDPSA-N 0 0 341.838 4.423 50 0 EIAARN Cc1oc(-c2ccccc2)nc1COC(=O)/C=C\c1ccsc1 ZINC000098054307 219074622 /nfs/dbraw/zinc/07/46/22/219074622.db2.gz AVKKAMSDBRIAAN-FPLPWBNLSA-N 0 0 325.389 4.468 50 0 EIAARN C/C(=C\C(=O)NCc1ncc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000098055468 219075498 /nfs/dbraw/zinc/07/54/98/219075498.db2.gz HGVGMMDMZKYEDQ-SDNWHVSQSA-N 0 0 336.366 4.200 50 0 EIAARN CC[C@@H](C)Sc1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000059332009 214616816 /nfs/dbraw/zinc/61/68/16/214616816.db2.gz LAZPUPWUPHFSHZ-MRVPVSSYSA-N 0 0 327.862 4.334 50 0 EIAARN CCc1c(C(=O)Nc2ccc(N(CC)CC)cc2)[nH]c(C)c1C(C)=O ZINC000059359293 214618384 /nfs/dbraw/zinc/61/83/84/214618384.db2.gz GVZFSBUBEDDIKW-UHFFFAOYSA-N 0 0 341.455 4.187 50 0 EIAARN COc1cccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccccc2)c1 ZINC000049548865 214017851 /nfs/dbraw/zinc/01/78/51/214017851.db2.gz ZWJPPJUANSPEIS-KRWDZBQOSA-N 0 0 333.391 4.064 50 0 EIAARN COc1cccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccccc2)c1 ZINC000049548867 214017249 /nfs/dbraw/zinc/01/72/49/214017249.db2.gz ZWJPPJUANSPEIS-QGZVFWFLSA-N 0 0 333.391 4.064 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)cc1 ZINC000060165807 214629409 /nfs/dbraw/zinc/62/94/09/214629409.db2.gz GCXGUSLSRUVULD-GFCCVEGCSA-N 0 0 342.464 4.108 50 0 EIAARN Cn1ncc2c1NC(=O)CS[C@@H]2c1cccc(OC2CCCC2)c1 ZINC000049545361 214016966 /nfs/dbraw/zinc/01/69/66/214016966.db2.gz GSNCTWJLTOAVKR-QGZVFWFLSA-N 0 0 343.452 4.166 50 0 EIAARN Cc1ccc2c(C(=O)N(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1C ZINC000063847503 214771331 /nfs/dbraw/zinc/77/13/31/214771331.db2.gz ZEGDGNODCCQDKV-UHFFFAOYSA-N 0 0 348.450 4.134 50 0 EIAARN Cc1ccc(-c2nc(CCNC(=O)c3cccc(F)c3)cs2)cc1 ZINC000004570749 210223702 /nfs/dbraw/zinc/22/37/02/210223702.db2.gz FHTTUWJMUPKCOE-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN O=C(/C=C/c1ccccc1F)N(Cc1ccccc1)c1ccccn1 ZINC000060850428 214649238 /nfs/dbraw/zinc/64/92/38/214649238.db2.gz QXXUNCNOFNQZDD-BUHFOSPRSA-N 0 0 332.378 4.467 50 0 EIAARN COC(=O)c1sc(N)cc1O[C@@H](C)c1ccccc1C(F)(F)F ZINC000098088316 219082480 /nfs/dbraw/zinc/08/24/80/219082480.db2.gz ULUHOOMPDHUVSR-QMMMGPOBSA-N 0 0 345.342 4.276 50 0 EIAARN CC(=O)c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000060991865 214653194 /nfs/dbraw/zinc/65/31/94/214653194.db2.gz POMPSRZDHCKAQD-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN O=C(Nc1ccc(F)c(N2CCCC2=O)c1)NC1CCCCCCC1 ZINC000061573215 214667093 /nfs/dbraw/zinc/66/70/93/214667093.db2.gz AKYHIDGDOOYXRA-UHFFFAOYSA-N 0 0 347.434 4.187 50 0 EIAARN COc1cccc2c1O[C@@H](C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000004539978 210216305 /nfs/dbraw/zinc/21/63/05/210216305.db2.gz OVYZWXVFOUTKAI-ZBEGNZNMSA-N 0 0 328.799 4.238 50 0 EIAARN O=c1[nH]c2ccccc2nc1Cc1ncc(C(F)(F)F)cc1Cl ZINC000100408293 219098465 /nfs/dbraw/zinc/09/84/65/219098465.db2.gz IPGPYAYGNRZINK-AWNIVKPZSA-N 0 0 339.704 4.159 50 0 EIAARN Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000100574596 219101868 /nfs/dbraw/zinc/10/18/68/219101868.db2.gz LIMAMPGWZLQTOH-MRXNPFEDSA-N 0 0 341.838 4.387 50 0 EIAARN O=C1C[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100702183 219104411 /nfs/dbraw/zinc/10/44/11/219104411.db2.gz SHODEKNQDYLGMS-LBPRGKRZSA-N 0 0 334.202 4.116 50 0 EIAARN NC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000004427967 210191967 /nfs/dbraw/zinc/19/19/67/210191967.db2.gz DOVIBCPHDNLZGU-QOTSGZDISA-N 0 0 331.419 4.362 50 0 EIAARN CC(C)(C)n1ncc(NCc2csc3ccccc23)c(Cl)c1=O ZINC000064538074 214790149 /nfs/dbraw/zinc/79/01/49/214790149.db2.gz KWLDLVMOPGUSSH-UHFFFAOYSA-N 0 0 347.871 4.479 50 0 EIAARN COc1ccc(Br)cc1CNc1nc2ccccc2o1 ZINC000064550515 214791433 /nfs/dbraw/zinc/79/14/33/214791433.db2.gz NSEPYUVBPFOUOV-UHFFFAOYSA-N 0 0 333.185 4.211 50 0 EIAARN O=c1[nH]c2ccccc2n1CCCSc1cccc2cccnc21 ZINC000004393410 210187864 /nfs/dbraw/zinc/18/78/64/210187864.db2.gz WOFAQMZEELHQOV-UHFFFAOYSA-N 0 0 335.432 4.060 50 0 EIAARN c1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)cn2)cc1 ZINC000064676766 214800050 /nfs/dbraw/zinc/80/00/50/214800050.db2.gz XTICPYGFDISFNK-UHFFFAOYSA-N 0 0 328.375 4.411 50 0 EIAARN Cc1ccccc1-c1cn2ccn(-c3ccc(Cl)cc3)c(=O)c2n1 ZINC000064675425 214800101 /nfs/dbraw/zinc/80/01/01/214800101.db2.gz ZWPGWWBIEOIOHT-UHFFFAOYSA-N 0 0 335.794 4.114 50 0 EIAARN CCOc1ccc(C[C@H]2c3cccc(C)c3NC2=O)cc1OCC ZINC000101016101 219113700 /nfs/dbraw/zinc/11/37/00/219113700.db2.gz IOJNXBDBTOHAHP-INIZCTEOSA-N 0 0 325.408 4.071 50 0 EIAARN CC(C)Cn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000101114454 219116267 /nfs/dbraw/zinc/11/62/67/219116267.db2.gz NWNJPYRRUXKSLG-SFHVURJKSA-N 0 0 347.418 4.010 50 0 EIAARN COc1ccccc1/C=C/c1nn2c(nnc2-c2ccccc2)s1 ZINC000004361468 210180608 /nfs/dbraw/zinc/18/06/08/210180608.db2.gz XBGRSPJCSDBLLR-VAWYXSNFSA-N 0 0 334.404 4.032 50 0 EIAARN CN(CCc1noc(C2CCCCC2)n1)C(=O)c1ccccc1Cl ZINC000064840652 214809521 /nfs/dbraw/zinc/80/95/21/214809521.db2.gz QSIPWXNBCMBLJJ-UHFFFAOYSA-N 0 0 347.846 4.085 50 0 EIAARN Cc1ccc(C[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2C)cc1 ZINC000101152269 219118079 /nfs/dbraw/zinc/11/80/79/219118079.db2.gz HGVYNGSVGNPDNN-BBRMVZONSA-N 0 0 341.838 4.325 50 0 EIAARN CC(=O)Nc1ccc(C2(C(=O)N3CCC[C@@H](C)C3)CCCCC2)cc1 ZINC000065027455 214822898 /nfs/dbraw/zinc/82/28/98/214822898.db2.gz YEZRCCJJWNVOGY-MRXNPFEDSA-N 0 0 342.483 4.105 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cccc(F)c2)nc1 ZINC000065030151 214824005 /nfs/dbraw/zinc/82/40/05/214824005.db2.gz YRYLFYRBGZMMFP-UHFFFAOYSA-N 0 0 340.785 4.471 50 0 EIAARN CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000004330465 210173439 /nfs/dbraw/zinc/17/34/39/210173439.db2.gz SFSQWJMMSJYNEA-UHFFFAOYSA-N 0 0 349.799 4.103 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2nc3c(s2)c(C)ccc3C)c1 ZINC000004330924 210172920 /nfs/dbraw/zinc/17/29/20/210172920.db2.gz QMYHWSDICXWCNW-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN CCn1nccc1-c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 ZINC000065137339 214831035 /nfs/dbraw/zinc/83/10/35/214831035.db2.gz ZMWRVODLNKHXPH-UHFFFAOYSA-N 0 0 334.354 4.426 50 0 EIAARN CCC(CC)C(=O)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135210 214831558 /nfs/dbraw/zinc/83/15/58/214831558.db2.gz LSLLYPCTZBQJHJ-SFHVURJKSA-N 0 0 337.467 4.286 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)s1 ZINC000004329606 210171557 /nfs/dbraw/zinc/17/15/57/210171557.db2.gz XSYIEEKCTRCKNT-UHFFFAOYSA-N 0 0 340.191 4.357 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2cc(C)cc(C)c2)cc1 ZINC000004323004 210170484 /nfs/dbraw/zinc/17/04/84/210170484.db2.gz JJXIJSIGNSOYNE-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN COc1cc2ncnc(Sc3ccc(Cl)cc3)c2cc1OC ZINC000004324126 210169982 /nfs/dbraw/zinc/16/99/82/210169982.db2.gz QFELTKRZRDXOKV-UHFFFAOYSA-N 0 0 332.812 4.452 50 0 EIAARN COc1ccc(-c2c(NC(=O)C(C)C)oc3ccccc3c2=O)cc1 ZINC000101452378 219127388 /nfs/dbraw/zinc/12/73/88/219127388.db2.gz IHKNQUXFWIIBGS-UHFFFAOYSA-N 0 0 337.375 4.063 50 0 EIAARN CCCCCOc1ccc([C@H](C)NC(=O)c2ccncc2)cc1OC ZINC000048518143 213944349 /nfs/dbraw/zinc/94/43/49/213944349.db2.gz CMEHIQZEBGBCBE-HNNXBMFYSA-N 0 0 342.439 4.150 50 0 EIAARN Cc1nc2c3ccccc3oc2c(Nc2ccc3c(c2)OCCO3)n1 ZINC000004309299 210166149 /nfs/dbraw/zinc/16/61/49/210166149.db2.gz HLUPYAKKSXUGSB-UHFFFAOYSA-N 0 0 333.347 4.199 50 0 EIAARN O=C(Nc1ccccn1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000048346825 213927507 /nfs/dbraw/zinc/92/75/07/213927507.db2.gz IHXWTUNLYDQOPT-UHFFFAOYSA-N 0 0 335.329 4.297 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(NCc2ccco2)n1 ZINC000048308300 213916586 /nfs/dbraw/zinc/91/65/86/213916586.db2.gz CLZVLYVOEWBMPW-UHFFFAOYSA-N 0 0 345.406 4.151 50 0 EIAARN CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000065373070 214878894 /nfs/dbraw/zinc/87/88/94/214878894.db2.gz NOSVYIFDHRPAFF-AABGKKOBSA-N 0 0 343.854 4.308 50 0 EIAARN O=C(Nc1ccccc1-n1cccn1)c1cc2c(cccc2F)s1 ZINC000048236570 213900667 /nfs/dbraw/zinc/90/06/67/213900667.db2.gz MUCXKFIFSXZHSR-UHFFFAOYSA-N 0 0 337.379 4.478 50 0 EIAARN OCCCn1cnc(-c2ccccc2)c1-c1cnc2ccccc2c1 ZINC000065394082 214886433 /nfs/dbraw/zinc/88/64/33/214886433.db2.gz NCUBBCBGCSMJJO-UHFFFAOYSA-N 0 0 329.403 4.148 50 0 EIAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1 ZINC000004224431 210147471 /nfs/dbraw/zinc/14/74/71/210147471.db2.gz MZZSVADFZYBURJ-UHFFFAOYSA-N 0 0 339.395 4.011 50 0 EIAARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1C ZINC000004223296 210146698 /nfs/dbraw/zinc/14/66/98/210146698.db2.gz MTLDGTZXUXDFQS-UHFFFAOYSA-N 0 0 349.459 4.488 50 0 EIAARN Cc1csc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 ZINC000004196036 210143862 /nfs/dbraw/zinc/14/38/62/210143862.db2.gz HQOCCUAIRPOHNQ-UHFFFAOYSA-N 0 0 347.490 4.306 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)cc1C ZINC000004194693 210143455 /nfs/dbraw/zinc/14/34/55/210143455.db2.gz NKUIRTDHTOWFOH-UHFFFAOYSA-N 0 0 329.830 4.200 50 0 aggregator EIAARN O=C1C[C@@H](c2ccncc2F)c2ccc(Oc3ccccc3)cc2N1 ZINC000065432949 214909318 /nfs/dbraw/zinc/90/93/18/214909318.db2.gz RFCNFQMEGVUWGB-KRWDZBQOSA-N 0 0 334.350 4.487 50 0 EIAARN O=C(CCC(=O)c1cccs1)OCc1nc2ccccc2s1 ZINC000004165779 210136555 /nfs/dbraw/zinc/13/65/55/210136555.db2.gz TYMQLVSQHIOUSI-UHFFFAOYSA-N 0 0 331.418 4.064 50 0 EIAARN CCCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)C[C@@H](C)CC2 ZINC000004144640 210132843 /nfs/dbraw/zinc/13/28/43/210132843.db2.gz AXYILPIOMQQSJH-NSHDSACASA-N 0 0 337.485 4.424 50 0 EIAARN NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)cc1Cl ZINC000004135038 210129479 /nfs/dbraw/zinc/12/94/79/210129479.db2.gz HFKFJBFDNXAXTF-UHFFFAOYSA-N 0 0 349.173 4.091 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1C ZINC000047157835 213833504 /nfs/dbraw/zinc/83/35/04/213833504.db2.gz IUSXYIYSASSFRL-UHFFFAOYSA-N 0 0 335.407 4.475 50 0 EIAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccnc1 ZINC000004129352 210128170 /nfs/dbraw/zinc/12/81/70/210128170.db2.gz JWVAINAPEINUCK-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN O=C(CCc1ccccc1F)N[C@H](c1nccs1)c1ccccc1 ZINC000065537778 214952527 /nfs/dbraw/zinc/95/25/27/214952527.db2.gz YKJUIGJMPLWCBB-SFHVURJKSA-N 0 0 340.423 4.121 50 0 EIAARN O=C(c1ccccc1F)N1CCN=C1SCc1cccc(Cl)c1 ZINC000004120620 210126584 /nfs/dbraw/zinc/12/65/84/210126584.db2.gz TYVLENUIOKMKOR-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN O=C(NCc1nc(-c2ccccc2)cs1)c1nccc2ccccc21 ZINC000065564832 214962030 /nfs/dbraw/zinc/96/20/30/214962030.db2.gz SGOACDBPCALHJL-UHFFFAOYSA-N 0 0 345.427 4.288 50 0 EIAARN Cc1ccc(C(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 ZINC000004120602 210125879 /nfs/dbraw/zinc/12/58/79/210125879.db2.gz MPCVHDYKWYAYTD-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN Cc1ccc(-c2noc(-c3ccc(Nc4ccc(F)cc4)nn3)n2)cc1 ZINC000046913582 213816388 /nfs/dbraw/zinc/81/63/88/213816388.db2.gz ATLKVFDRBQWUSY-UHFFFAOYSA-N 0 0 347.353 4.385 50 0 EIAARN O=C(c1ccccc1)N1CCN=C1SCc1c(F)cccc1Cl ZINC000004120141 210125251 /nfs/dbraw/zinc/12/52/51/210125251.db2.gz VGZZNEMGBXHPIV-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN Cc1ccccc1CSC1=NCCN1C(=O)c1ccc(F)c(F)c1 ZINC000004120027 210125011 /nfs/dbraw/zinc/12/50/11/210125011.db2.gz FQZPWCGXYHAMLU-UHFFFAOYSA-N 0 0 346.402 4.018 50 0 EIAARN CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000065594613 214973769 /nfs/dbraw/zinc/97/37/69/214973769.db2.gz NLUMKFBJXHRPDY-CQSZACIVSA-N 0 0 347.503 4.358 50 0 EIAARN O=C(Nc1nnc(-c2ccco2)o1)c1ccc(-c2ccccc2)cc1 ZINC000004107249 210122635 /nfs/dbraw/zinc/12/26/35/210122635.db2.gz GRHDCIULQKNFTE-UHFFFAOYSA-N 0 0 331.331 4.249 50 0 EIAARN CCc1ccccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 ZINC000004111194 210122486 /nfs/dbraw/zinc/12/24/86/210122486.db2.gz DRVTZMNXHLUOAG-UHFFFAOYSA-N 0 0 335.407 4.179 50 0 EIAARN Cc1ccccc1CN1C(=O)Nc2ccccc2C(=O)N1C(C)(C)C ZINC000004108567 210121821 /nfs/dbraw/zinc/12/18/21/210121821.db2.gz UZYZRNHVEUCCTM-UHFFFAOYSA-N 0 0 337.423 4.198 50 0 EIAARN COc1ccc(NC(=O)CSc2c(C)[nH]c3ccccc32)cc1 ZINC000004106378 210121244 /nfs/dbraw/zinc/12/12/44/210121244.db2.gz XJOXNNFPMDWCQH-UHFFFAOYSA-N 0 0 326.421 4.216 50 0 EIAARN O=S1(=O)c2ccccc2N=NN1Cc1ccc(Cl)c(Cl)c1 ZINC000004105272 210120338 /nfs/dbraw/zinc/12/03/38/210120338.db2.gz YNXAVVKSGFKJBQ-UHFFFAOYSA-N 0 0 342.207 4.197 50 0 aggregator EIAARN Cc1noc(C)c1CCC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000065614831 214982772 /nfs/dbraw/zinc/98/27/72/214982772.db2.gz CDIKULAEUWATCI-UHFFFAOYSA-N 0 0 346.430 4.433 50 0 EIAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cc(F)cc(F)c1 ZINC000101789069 219164484 /nfs/dbraw/zinc/16/44/84/219164484.db2.gz JKJSRGZGYHQZBG-WZUFQYTHSA-N 0 0 344.748 4.272 50 0 EIAARN COC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccc(C(C)C)cc1)C2 ZINC000004085337 210116657 /nfs/dbraw/zinc/11/66/57/210116657.db2.gz CBCNWSQQAZIOEP-HNNXBMFYSA-N 0 0 326.392 4.411 50 0 biogenic EIAARN Cc1cc2cc(CNC(=O)c3cccc(C(F)(F)F)c3)ccc2n1C ZINC000004061529 210110713 /nfs/dbraw/zinc/11/07/13/210110713.db2.gz GXHWDDXPHDJDTL-UHFFFAOYSA-N 0 0 346.352 4.436 50 0 EIAARN Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2n1C ZINC000004061605 210109774 /nfs/dbraw/zinc/10/97/74/210109774.db2.gz WDERIUXDHQTAPJ-UHFFFAOYSA-N 0 0 327.815 4.462 50 0 EIAARN O=C(CCSc1ccccc1)Nc1nc(-c2ccccn2)cs1 ZINC000004059124 210109788 /nfs/dbraw/zinc/10/97/88/210109788.db2.gz RBNWPHSYWNJGBC-UHFFFAOYSA-N 0 0 341.461 4.326 50 0 EIAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1C ZINC000004033064 210104273 /nfs/dbraw/zinc/10/42/73/210104273.db2.gz UBMFJHWIIZJFJK-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033426 210104061 /nfs/dbraw/zinc/10/40/61/210104061.db2.gz FGPDXXTYKFWGIV-AWEZNQCLSA-N 0 0 337.398 4.106 50 0 EIAARN Cc1[nH]nc2c1[C@H](c1ccc(OCc3cccc(C)c3)cc1)CC(=O)N2 ZINC000046016672 213773168 /nfs/dbraw/zinc/77/31/68/213773168.db2.gz HMWOXHUTWTWJGK-SFHVURJKSA-N 0 0 347.418 4.080 50 0 EIAARN Brc1nc(-c2cnco2)ccc1OCc1ccccc1 ZINC000066054223 215004896 /nfs/dbraw/zinc/00/48/96/215004896.db2.gz SNEXISSXLANPHT-UHFFFAOYSA-N 0 0 331.169 4.078 50 0 EIAARN CC(C)(C)c1cc(=O)[nH]c(SCc2cccc(C(F)(F)F)c2)n1 ZINC000004024706 210101874 /nfs/dbraw/zinc/10/18/74/210101874.db2.gz KRGUIQNGTIIVJJ-UHFFFAOYSA-N 0 0 342.386 4.379 50 0 EIAARN CCc1cccc(Nc2c3c(nc4nc(-c5ccco5)nn42)CCC3)c1 ZINC000046022723 213774223 /nfs/dbraw/zinc/77/42/23/213774223.db2.gz SYXJVYWPEZEKFB-UHFFFAOYSA-N 0 0 345.406 4.179 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 ZINC000004031931 210104789 /nfs/dbraw/zinc/10/47/89/210104789.db2.gz YVVVBRIVURBVIF-UHFFFAOYSA-N 0 0 332.425 4.085 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000004033351 210104942 /nfs/dbraw/zinc/10/49/42/210104942.db2.gz ZTQVZVRIBLHFLX-INIZCTEOSA-N 0 0 333.435 4.194 50 0 EIAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCC4=C4CCC[C@@H]4[C@@H]3C2=O)c(C)c1 ZINC000004015846 210099712 /nfs/dbraw/zinc/09/97/12/210099712.db2.gz JYCRFHOUJNWOOZ-TZRIAGMCSA-N 0 0 335.447 4.319 50 0 EIAARN C[C@@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)N(C)C1CCCCC1 ZINC000045927483 213766513 /nfs/dbraw/zinc/76/65/13/213766513.db2.gz GVWVYGUPOQKNMH-CQSZACIVSA-N 0 0 343.496 4.348 50 0 EIAARN Nc1n[nH]c(Nc2ccccc2)c1C(=O)Nc1ccc2ccccc2c1 ZINC000066087404 215009355 /nfs/dbraw/zinc/00/93/55/215009355.db2.gz IDPOKSSIDCNIGA-UHFFFAOYSA-N 0 0 343.390 4.141 50 0 EIAARN Cc1[nH]nc2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C2 ZINC000003983817 210096814 /nfs/dbraw/zinc/09/68/14/210096814.db2.gz HVPVPQFZGNASDB-XSUYJZTMSA-N 0 0 326.484 4.056 50 0 biogenic EIAARN CCOC(=O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003958763 210095667 /nfs/dbraw/zinc/09/56/67/210095667.db2.gz DZTAJGBADYJNRE-UHFFFAOYSA-N 0 0 327.424 4.018 50 0 EIAARN Cc1ccc(Nc2nc3ccccc3nc2C(=O)OCC(C)C)cc1 ZINC000045901698 213765083 /nfs/dbraw/zinc/76/50/83/213765083.db2.gz MKTABKFPNSTHIY-UHFFFAOYSA-N 0 0 335.407 4.495 50 0 EIAARN COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1 ZINC000003941071 210093456 /nfs/dbraw/zinc/09/34/56/210093456.db2.gz ITZZJGGGGVJVMG-UHFFFAOYSA-N 0 0 329.440 4.249 50 0 EIAARN CCCN(CCC)c1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000003912228 210092365 /nfs/dbraw/zinc/09/23/65/210092365.db2.gz DPBJYYIKYGSBIY-UHFFFAOYSA-N 0 0 329.835 4.095 50 0 EIAARN CSc1ccccc1NC(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000003907791 210090839 /nfs/dbraw/zinc/09/08/39/210090839.db2.gz VHXQRLMSXAIGGX-UHFFFAOYSA-N 0 0 326.377 4.021 50 0 EIAARN Cc1cccc(N2C(=O)S[C@H](Nc3ccc(C)c(C)c3)C2=O)c1 ZINC000003647935 210070584 /nfs/dbraw/zinc/07/05/84/210070584.db2.gz ZFYHEXJQGWGIOY-INIZCTEOSA-N 0 0 326.421 4.250 50 0 EIAARN CCCCCn1cc(C(=O)C(=O)NC2CCCCC2)c2ccccc21 ZINC000003627627 210068289 /nfs/dbraw/zinc/06/82/89/210068289.db2.gz FMNQADMLHXJELL-UHFFFAOYSA-N 0 0 340.467 4.463 50 0 EIAARN O=C(OCc1ccc(Br)cc1)c1ccc2ccccc2n1 ZINC000003619448 210067868 /nfs/dbraw/zinc/06/78/68/210067868.db2.gz MHKMSSDPCBGJPZ-UHFFFAOYSA-N 0 0 342.192 4.354 50 0 EIAARN O=C(CCCOc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000003603056 210063013 /nfs/dbraw/zinc/06/30/13/210063013.db2.gz IOAOMOSEGCZGCL-UHFFFAOYSA-N 0 0 338.234 4.469 50 0 EIAARN Cc1ccccc1OCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000003561685 210055876 /nfs/dbraw/zinc/05/58/76/210055876.db2.gz CUKLSRLDVIASSZ-UHFFFAOYSA-N 0 0 346.382 4.210 50 0 EIAARN COc1ccccc1Nc1nc(C)c(C(=O)Nc2ccccc2)s1 ZINC000003591878 210060454 /nfs/dbraw/zinc/06/04/54/210060454.db2.gz VHDVQZLGAWEMGP-UHFFFAOYSA-N 0 0 339.420 4.456 50 0 EIAARN O=C(Cc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000003554619 210053639 /nfs/dbraw/zinc/05/36/39/210053639.db2.gz PPJFLMQIJLARTE-UHFFFAOYSA-N 0 0 330.359 4.270 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2cc3ccccc3o2)cc1C ZINC000003553126 210053253 /nfs/dbraw/zinc/05/32/53/210053253.db2.gz ZOTZANPRRDNUCK-UHFFFAOYSA-N 0 0 329.377 4.232 50 0 EIAARN COc1ccc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000003552892 210052892 /nfs/dbraw/zinc/05/28/92/210052892.db2.gz RANZEVSBFSFYNK-LLVKDONJSA-N 0 0 338.234 4.422 50 0 EIAARN COc1ccc(CCC(=O)Nc2cccc3ccccc32)cc1OC ZINC000003549089 210052371 /nfs/dbraw/zinc/05/23/71/210052371.db2.gz OXRJXJBNQQUVMU-UHFFFAOYSA-N 0 0 335.403 4.428 50 0 EIAARN COc1ccc(Br)c(C(=O)Nc2cccc(Cl)c2)c1 ZINC000003548280 210051790 /nfs/dbraw/zinc/05/17/90/210051790.db2.gz HCEUYRGIFOYXQO-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN Cc1c2ccccc2oc1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000003537339 210050341 /nfs/dbraw/zinc/05/03/41/210050341.db2.gz QFOPAAIRRLSXRZ-UHFFFAOYSA-N 0 0 334.780 4.496 50 0 EIAARN C[C@@H](c1ccc(C(=O)N2CCc3ccccc3C2)o1)[NH+]1CCCCC1 ZINC000102539625 219209074 /nfs/dbraw/zinc/20/90/74/219209074.db2.gz CFUFSLQOLJGFOH-INIZCTEOSA-N 0 0 338.451 4.025 50 0 EIAARN C[C@@H]1CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccc3ncccc3c2)C1 ZINC000102602632 219213167 /nfs/dbraw/zinc/21/31/67/219213167.db2.gz XZKYGSHMXHSJRY-DYZYQPBXSA-N 0 0 347.378 4.099 50 0 EIAARN c1ccc(CCCSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000003452423 210044019 /nfs/dbraw/zinc/04/40/19/210044019.db2.gz UQQNTEHXHUJTPJ-UHFFFAOYSA-N 0 0 340.404 4.190 50 0 EIAARN Cc1ccccc1CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000003453948 210043973 /nfs/dbraw/zinc/04/39/73/210043973.db2.gz WAKMZFZMYNLKMN-JOCHJYFZSA-N 0 0 344.414 4.115 50 0 EIAARN C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)c1cccc(Cl)c1 ZINC000003454759 210044587 /nfs/dbraw/zinc/04/45/87/210044587.db2.gz ZMPQCPOFNBYKQM-VIFPVBQESA-N 0 0 334.784 4.347 50 0 EIAARN CC(=O)N[C@@H](CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 ZINC000003437758 210038733 /nfs/dbraw/zinc/03/87/33/210038733.db2.gz NCYGAAWPXFHQRX-IBGZPJMESA-N 0 0 338.451 4.190 50 0 EIAARN Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1F ZINC000003429476 210037968 /nfs/dbraw/zinc/03/79/68/210037968.db2.gz 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Cn1cnc2cc(-c3noc(-c4ccc(C(F)(F)F)cc4)n3)ccc21 ZINC000035453362 213028943 /nfs/dbraw/zinc/02/89/43/213028943.db2.gz UDHTYRXIGCNBLF-UHFFFAOYSA-N 0 0 344.296 4.309 50 0 EIAARN CCCn1cnc2cc(-c3noc(Cc4cccc(F)c4)n3)ccc21 ZINC000035453641 213028284 /nfs/dbraw/zinc/02/82/84/213028284.db2.gz FDLYCXDDZCEZII-UHFFFAOYSA-N 0 0 336.370 4.226 50 0 EIAARN O=C(NCCc1ccccc1)c1cc2occc2n1Cc1ccccc1 ZINC000035474941 213031385 /nfs/dbraw/zinc/03/13/85/213031385.db2.gz XMNQDYIBIILOEF-UHFFFAOYSA-N 0 0 344.414 4.255 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NC3CCCC3)cc3c2c(ccc3Cl)O1 ZINC000035477450 213031131 /nfs/dbraw/zinc/03/11/31/213031131.db2.gz OMOMKRJXYRIMBJ-LBPRGKRZSA-N 0 0 332.831 4.138 50 0 EIAARN CC(C)CNC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000071279533 215749807 /nfs/dbraw/zinc/74/98/07/215749807.db2.gz YLKNUFHUKRFMJE-AWEZNQCLSA-N 0 0 344.282 4.277 50 0 EIAARN Cc1cccc2c1ccn2CC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000071282774 215751516 /nfs/dbraw/zinc/75/15/16/215751516.db2.gz NLILDWMJJSVNEM-UHFFFAOYSA-N 0 0 348.431 4.107 50 0 EIAARN O=C1C[C@H](c2ccsc2)c2snc(-c3ccc(F)cc3)c2N1 ZINC000035324578 213022239 /nfs/dbraw/zinc/02/22/39/213022239.db2.gz RZZTWXDAEPFCHI-GFCCVEGCSA-N 0 0 330.409 4.485 50 0 EIAARN CCc1ccc(CNC(=O)c2cc(-c3cc(C)ccc3C)n[nH]2)cc1 ZINC000071328483 215761212 /nfs/dbraw/zinc/76/12/12/215761212.db2.gz PGICRTWQWWIMFV-UHFFFAOYSA-N 0 0 333.435 4.186 50 0 EIAARN CC(C)Nc1nc2ccccc2c2nnc(-c3ccccc3Cl)n21 ZINC000034699858 212983967 /nfs/dbraw/zinc/98/39/67/212983967.db2.gz OEWSIDRHVOYBDO-UHFFFAOYSA-N 0 0 337.814 4.418 50 0 EIAARN COc1c(F)cccc1C(=O)N1CCC[C@H](CCc2ccccc2)C1 ZINC000071753708 215810818 /nfs/dbraw/zinc/81/08/18/215810818.db2.gz JIMGHDHGYPVBFC-QGZVFWFLSA-N 0 0 341.426 4.319 50 0 EIAARN Cc1nc2cccc(C(=O)N3CCC[C@H](CCc4ccccc4)C3)c2[nH]1 ZINC000071763176 215819087 /nfs/dbraw/zinc/81/90/87/215819087.db2.gz JTKCCJITVQHFAL-GOSISDBHSA-N 0 0 347.462 4.356 50 0 EIAARN Cc1ccc(C(=O)c2cnc3cc4c(cc3c2Cl)OCO4)cc1 ZINC000071775364 215825282 /nfs/dbraw/zinc/82/52/82/215825282.db2.gz JKBITDCYACBTTP-UHFFFAOYSA-N 0 0 325.751 4.156 50 0 EIAARN Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2)cc1 ZINC000000427360 209592137 /nfs/dbraw/zinc/59/21/37/209592137.db2.gz FCMJFCUVHBAASF-UHFFFAOYSA-N 0 0 337.448 4.220 50 0 EIAARN CCCCc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 ZINC000033508988 212944614 /nfs/dbraw/zinc/94/46/14/212944614.db2.gz YSEAFHJKHJAWQB-UHFFFAOYSA-N 0 0 334.419 4.435 50 0 EIAARN CCC(=O)Nc1nc(C(C)C)c(-c2nc(-c3ccccc3)no2)s1 ZINC000033331288 212928887 /nfs/dbraw/zinc/92/88/87/212928887.db2.gz MBJNKLDMWUTDES-UHFFFAOYSA-N 0 0 342.424 4.332 50 0 EIAARN Cc1ccc2c(c1)C=C(C(=O)NCc1ccccc1Cl)C=CO2 ZINC000033321272 212925473 /nfs/dbraw/zinc/92/54/73/212925473.db2.gz DWDFYYGITZGNNQ-UHFFFAOYSA-N 0 0 325.795 4.254 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)C1=Cc2cc(C)ccc2OC=C1 ZINC000033321281 212924622 /nfs/dbraw/zinc/92/46/22/212924622.db2.gz SESUZYZMPLWNRG-UHFFFAOYSA-N 0 0 349.386 4.100 50 0 EIAARN Clc1ccc(-n2ncc3c2ncnc3NCc2ccccc2)cc1 ZINC000000425605 209588272 /nfs/dbraw/zinc/58/82/72/209588272.db2.gz MYQLEZIRJKUQME-UHFFFAOYSA-N 0 0 335.798 4.081 50 0 EIAARN O=C1CS[C@H](c2cccc(F)c2)N1c1ccc(F)c(Cl)c1 ZINC000000423833 209587355 /nfs/dbraw/zinc/58/73/55/209587355.db2.gz ILMSXJAXRURSMY-OAHLLOKOSA-N 0 0 325.767 4.397 50 0 EIAARN CCc1cccc(C)c1NC(=O)COc1nc(CC)nc2ccccc21 ZINC000033141689 212902995 /nfs/dbraw/zinc/90/29/95/212902995.db2.gz VJPRKYRZYZWQRI-UHFFFAOYSA-N 0 0 349.434 4.081 50 0 EIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccc(C)cc1C ZINC000033086153 212896252 /nfs/dbraw/zinc/89/62/52/212896252.db2.gz RJHJBGWGQZGIQP-UHFFFAOYSA-N 0 0 334.423 4.321 50 0 EIAARN CCc1noc(-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1 ZINC000033012826 212887769 /nfs/dbraw/zinc/88/77/69/212887769.db2.gz KRLITQJUJKMDHK-UHFFFAOYSA-N 0 0 341.798 4.134 50 0 EIAARN CCc1nc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)no1 ZINC000032996314 212886147 /nfs/dbraw/zinc/88/61/47/212886147.db2.gz STRZUQWUFDEODO-UHFFFAOYSA-N 0 0 326.331 4.082 50 0 EIAARN Cc1ccc(C(=O)NC2CCCCCC2)cc1-n1cnc2cccnc21 ZINC000032931901 212877565 /nfs/dbraw/zinc/87/75/65/212877565.db2.gz WFYPTMZBIGUVBD-UHFFFAOYSA-N 0 0 348.450 4.182 50 0 EIAARN O=C(NCCC1=CCCCC1)c1cccc(-n2cnc3cccnc32)c1 ZINC000032931879 212877650 /nfs/dbraw/zinc/87/76/50/212877650.db2.gz SSLGMMXHVYTFMR-UHFFFAOYSA-N 0 0 346.434 4.041 50 0 EIAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(C)cc1C ZINC000032911570 212868206 /nfs/dbraw/zinc/86/82/06/212868206.db2.gz NWVKLLLPPREJGT-UHFFFAOYSA-N 0 0 347.462 4.160 50 0 EIAARN Cc1c(C(=O)N2CCCC[C@H]2C)sc2nc(C3CC3)nc(C)c12 ZINC000032908085 212867628 /nfs/dbraw/zinc/86/76/28/212867628.db2.gz KLAPJLXJHSDKEC-SNVBAGLBSA-N 0 0 329.469 4.200 50 0 EIAARN Cc1ccccc1-c1nnc(C2(c3cccc(F)c3)CCOCC2)o1 ZINC000071889737 215927702 /nfs/dbraw/zinc/92/77/02/215927702.db2.gz PNQNSEKFQJBZAT-UHFFFAOYSA-N 0 0 338.382 4.281 50 0 EIAARN Cc1ccccc1N(C(=O)C1CCN(CC(F)(F)F)CC1)C(C)C ZINC000071902884 215944510 /nfs/dbraw/zinc/94/45/10/215944510.db2.gz CXOICHAMYWIECB-UHFFFAOYSA-N 0 0 342.405 4.011 50 0 EIAARN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000032796986 212844293 /nfs/dbraw/zinc/84/42/93/212844293.db2.gz WKNZMBZXCXCGHL-VXGBXAGGSA-N 0 0 344.377 4.141 50 0 EIAARN O=C(COc1ccc2ccccc2c1)N(Cc1cccs1)C1CC1 ZINC000032796203 212844184 /nfs/dbraw/zinc/84/41/84/212844184.db2.gz RMDZDBFTQLTIJI-UHFFFAOYSA-N 0 0 337.444 4.471 50 0 EIAARN CC1(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC000071914440 215960786 /nfs/dbraw/zinc/96/07/86/215960786.db2.gz CVIJKCRPDVCVOF-KRWDZBQOSA-N 0 0 335.875 4.192 50 0 EIAARN O=C(NCCCSc1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000032736275 212830232 /nfs/dbraw/zinc/83/02/32/212830232.db2.gz RRMZIXABFPVHNJ-UHFFFAOYSA-N 0 0 328.412 4.219 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000032721159 212829920 /nfs/dbraw/zinc/82/99/20/212829920.db2.gz FZCXMTCLSPQOKD-AWEZNQCLSA-N 0 0 327.424 4.404 50 0 EIAARN O=C(Nc1cccc(C(F)F)c1)N[C@@H](CCCO)c1ccccc1 ZINC000071921164 215968695 /nfs/dbraw/zinc/96/86/95/215968695.db2.gz JWRZWMQCOWGZQI-INIZCTEOSA-N 0 0 334.366 4.260 50 0 EIAARN CCC(CC)NC(=O)c1cc2sc(N(CC)CC)nc2s1 ZINC000071965731 215981830 /nfs/dbraw/zinc/98/18/30/215981830.db2.gz XPYDSURYNKRPMN-UHFFFAOYSA-N 0 0 325.503 4.122 50 0 EIAARN O=c1c2ccccc2nc(/C=C\c2ccccc2)n1-c1ccc(O)cc1 ZINC000032625320 212819612 /nfs/dbraw/zinc/81/96/12/212819612.db2.gz UODHAIKICSVODS-GDNBJRDFSA-N 0 0 340.382 4.262 50 0 EIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000072115931 216011219 /nfs/dbraw/zinc/01/12/19/216011219.db2.gz SUADHKATHDNEPQ-GFCCVEGCSA-N 0 0 337.345 4.131 50 0 EIAARN O=C1C[C@@H](c2cc(Cl)ccc2F)c2cnn(C3CCCC3)c2N1 ZINC000072117255 216012818 /nfs/dbraw/zinc/01/28/18/216012818.db2.gz KJXNFXJLKDAMOY-LBPRGKRZSA-N 0 0 333.794 4.265 50 0 EIAARN Fc1cccc(F)c1CC[C@H]1CCCN(Cc2nnc(C3CC3)o2)C1 ZINC000072119571 216014201 /nfs/dbraw/zinc/01/42/01/216014201.db2.gz ZXKLXUMTDGHMNJ-CYBMUJFWSA-N 0 0 347.409 4.070 50 0 EIAARN COc1ccccc1C(=O)Nc1cccc(-c2nc3cnccc3o2)c1 ZINC000032072298 212784178 /nfs/dbraw/zinc/78/41/78/212784178.db2.gz OLRFJGWDAAZOCH-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12 ZINC000031903894 212756614 /nfs/dbraw/zinc/75/66/14/212756614.db2.gz WKKOYQUVHFNGID-UHFFFAOYSA-N 0 0 347.480 4.240 50 0 EIAARN COCCNc1cc(-c2cccc(C(F)(F)F)c2)c2cc[nH]c2n1 ZINC000072153997 216043814 /nfs/dbraw/zinc/04/38/14/216043814.db2.gz JXIHMAWATHRPSA-UHFFFAOYSA-N 0 0 335.329 4.307 50 0 EIAARN CSc1cccc(NC(=O)N2CCCC[C@H]2CCn2cccn2)c1 ZINC000072164631 216052764 /nfs/dbraw/zinc/05/27/64/216052764.db2.gz RMDRTROFZPLQLQ-INIZCTEOSA-N 0 0 344.484 4.082 50 0 EIAARN CC[C@@H](C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1)c1ccccc1 ZINC000072232246 216073153 /nfs/dbraw/zinc/07/31/53/216073153.db2.gz IYASMZHQYJQLQN-IAGOWNOFSA-N 0 0 341.455 4.093 50 0 EIAARN CC(C)c1nc([C@H]2CCCN(C(=O)C[C@H](C)c3ccccc3)C2)no1 ZINC000072232232 216073361 /nfs/dbraw/zinc/07/33/61/216073361.db2.gz LRDOKESKKGJKOW-RDJZCZTQSA-N 0 0 341.455 4.093 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1cc(-c2cc(Cl)ccc2O)[nH]n1 ZINC000072238560 216077891 /nfs/dbraw/zinc/07/78/91/216077891.db2.gz DLUYIQGGCOLOMH-UHFFFAOYSA-N 0 0 348.189 4.341 50 0 EIAARN COc1ccc(OC)c(Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000072240723 216079332 /nfs/dbraw/zinc/07/93/32/216079332.db2.gz GEUSIUAYDJPUNP-UHFFFAOYSA-N 0 0 349.312 4.409 50 0 EIAARN COc1cccc(CNC(=O)c2cc3occc3c(OC(C)C)c2)c1 ZINC000072240172 216079468 /nfs/dbraw/zinc/07/94/68/216079468.db2.gz WTADCWJRYWEDCC-UHFFFAOYSA-N 0 0 339.391 4.159 50 0 EIAARN COc1ccccc1Oc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)o1 ZINC000072265315 216087561 /nfs/dbraw/zinc/08/75/61/216087561.db2.gz JXBGUDVAIUJGHU-KBPBESRZSA-N 0 0 329.396 4.199 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OC(F)F)c2cccnc12 ZINC000031094369 212722368 /nfs/dbraw/zinc/72/23/68/212722368.db2.gz BEACIXQRDQAYAM-UHFFFAOYSA-N 0 0 328.318 4.397 50 0 EIAARN COc1cc(F)c(NC(=O)[C@]2(C)CCCc3ccccc32)cc1OC ZINC000072270521 216093916 /nfs/dbraw/zinc/09/39/16/216093916.db2.gz SZWONFMLRMBYMS-HXUWFJFHSA-N 0 0 343.398 4.076 50 0 EIAARN CCOc1ccc(CCC(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000072272038 216095393 /nfs/dbraw/zinc/09/53/93/216095393.db2.gz KIFMIZDBLCKRLH-KRWDZBQOSA-N 0 0 344.480 4.228 50 0 EIAARN Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CCOc3ccccc32)n1 ZINC000072273926 216096895 /nfs/dbraw/zinc/09/68/95/216096895.db2.gz KWONDEAZSHVOEP-HZPDHXFCSA-N 0 0 342.464 4.071 50 0 EIAARN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000000407952 209572541 /nfs/dbraw/zinc/57/25/41/209572541.db2.gz OPTWRDFVXQQSTK-INIZCTEOSA-N 0 0 339.460 4.139 50 0 EIAARN O=C1c2ccccc2C(=O)N2CCCC[C@@H]2CC[C@@H]1c1ccccc1 ZINC000000404530 209571273 /nfs/dbraw/zinc/57/12/73/209571273.db2.gz WNFFKBXVAGJNIV-QZTJIDSGSA-N 0 0 333.431 4.442 50 0 EIAARN COc1cc(OC)c(NC(=O)Oc2ccc3c(c2)CCC3)cc1Cl ZINC000000401887 209569639 /nfs/dbraw/zinc/56/96/39/209569639.db2.gz TXCRTBJHWNQKRK-UHFFFAOYSA-N 0 0 347.798 4.457 50 0 EIAARN Cc1ccc(C2(C)OCC(C)(C)CO2)cc1NC(=O)c1ccccc1 ZINC000000398935 209568538 /nfs/dbraw/zinc/56/85/38/209568538.db2.gz MCKOOQHMBMGIDS-UHFFFAOYSA-N 0 0 339.435 4.493 50 0 EIAARN Cc1c(C)c(=O)oc2c(C)c(O[C@H](C)C(=O)c3ccccc3)ccc12 ZINC000000389362 209566427 /nfs/dbraw/zinc/56/64/27/209566427.db2.gz LWLWMKZVJACQPO-OAHLLOKOSA-N 0 0 336.387 4.368 50 0 biogenic EIAARN Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)c(OC(F)F)c1 ZINC000000374296 209557377 /nfs/dbraw/zinc/55/73/77/209557377.db2.gz DSFYKYQFHZZARA-UHFFFAOYSA-N 0 0 343.276 4.450 50 0 EIAARN Cc1sc(NC(=O)c2cccnc2Cl)nc1-c1ccccc1 ZINC000000368871 209554888 /nfs/dbraw/zinc/55/48/88/209554888.db2.gz IXPICUFIBANRBQ-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1C ZINC000000361064 209550790 /nfs/dbraw/zinc/55/07/90/209550790.db2.gz VTKJXWTXOFUCJJ-UHFFFAOYSA-N 0 0 332.856 4.392 50 0 EIAARN CCc1ccc(NC(=O)Nc2ccccc2CN(CC)C(C)=O)cc1 ZINC000072282532 216112440 /nfs/dbraw/zinc/11/24/40/216112440.db2.gz UJNYBFJYKBOZKG-UHFFFAOYSA-N 0 0 339.439 4.261 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)no1 ZINC000000342468 209542962 /nfs/dbraw/zinc/54/29/62/209542962.db2.gz IZFQDZOHKNBUHG-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(C2CCCCC2)cc1 ZINC000000319755 209535334 /nfs/dbraw/zinc/53/53/34/209535334.db2.gz HNQXMVIOIUZZEU-JOCHJYFZSA-N 0 0 349.430 4.147 50 0 EIAARN O=C(CCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000000325261 209537168 /nfs/dbraw/zinc/53/71/68/209537168.db2.gz OAFOOXBWOCVLRR-SFHVURJKSA-N 0 0 347.418 4.033 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000072283727 216113598 /nfs/dbraw/zinc/11/35/98/216113598.db2.gz ZGXLXVOWEUWABE-INIZCTEOSA-N 0 0 325.456 4.123 50 0 EIAARN CCOc1cc(-c2ccc3c(c2)OCO3)cc(=O)c2c(C)oc(C)c21 ZINC000000277989 209515617 /nfs/dbraw/zinc/51/56/17/209515617.db2.gz LYIUCQVJIILKHM-UHFFFAOYSA-N 0 0 338.359 4.204 50 0 biogenic EIAARN Cc1ccc(SCC(F)(F)F)c(NC(=O)C2CCOCC2)c1 ZINC000072290557 216125622 /nfs/dbraw/zinc/12/56/22/216125622.db2.gz GOFUGFXMXLFDKE-UHFFFAOYSA-N 0 0 333.375 4.015 50 0 EIAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)CC)c2ccc(C)cc2)c1C ZINC000000286217 209519166 /nfs/dbraw/zinc/51/91/66/209519166.db2.gz IUAAYHXVPBBPPH-UHFFFAOYSA-N 0 0 342.439 4.060 50 0 EIAARN CC[C@@H](NC(=O)CCCCOc1cccc(C)c1)c1ccncc1 ZINC000072295357 216132657 /nfs/dbraw/zinc/13/26/57/216132657.db2.gz GBGAGUZYXOFJHV-LJQANCHMSA-N 0 0 326.440 4.207 50 0 EIAARN C[C@H](Cc1ccccc1F)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072291659 216126759 /nfs/dbraw/zinc/12/67/59/216126759.db2.gz HOFPJNAFQMAWES-CZUORRHYSA-N 0 0 332.444 4.215 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(Br)o1 ZINC000000258900 209507103 /nfs/dbraw/zinc/50/71/03/209507103.db2.gz FPEMGPGQEOAVRF-UHFFFAOYSA-N 0 0 334.091 4.313 50 0 EIAARN O=C(Nc1cccc(OC(=O)c2cccs2)c1)c1cccs1 ZINC000000241610 209500440 /nfs/dbraw/zinc/50/04/40/209500440.db2.gz NKUFCTQAWJEGKT-UHFFFAOYSA-N 0 0 329.402 4.281 50 0 EIAARN CCOc1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000000240198 209499959 /nfs/dbraw/zinc/49/99/59/209499959.db2.gz FXRBJXSYHUBYJP-GOSISDBHSA-N 0 0 341.480 4.404 50 0 biogenic EIAARN Cc1c(NC(=O)C[C@H]2CCc3ccccc32)cnn1-c1ccccc1 ZINC000129401626 223052126 /nfs/dbraw/zinc/05/21/26/223052126.db2.gz HEAAUHNVOJESPF-QGZVFWFLSA-N 0 0 331.419 4.239 50 0 EIAARN COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(F)cc3)nc1-2 ZINC000000249542 209503552 /nfs/dbraw/zinc/50/35/52/209503552.db2.gz WQEXCVZZWVOBSJ-UHFFFAOYSA-N 0 0 340.379 4.114 50 0 EIAARN O=C(NCc1ccccc1C(F)(F)F)c1c[nH]nc1-c1ccccc1 ZINC000072328821 216152085 /nfs/dbraw/zinc/15/20/85/216152085.db2.gz JSPQLUHUEWMBPK-UHFFFAOYSA-N 0 0 345.324 4.026 50 0 EIAARN Cc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000072328954 216153996 /nfs/dbraw/zinc/15/39/96/216153996.db2.gz SNPDHEIQPDQQLV-INIZCTEOSA-N 0 0 333.435 4.136 50 0 EIAARN CCc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000072329199 216154073 /nfs/dbraw/zinc/15/40/73/216154073.db2.gz XSWHUWSRNYIHFW-AWEZNQCLSA-N 0 0 349.434 4.139 50 0 EIAARN O=C(c1cccc(F)c1)N1Cc2ccccc2-c2ccccc2C1=O ZINC000000227578 209496541 /nfs/dbraw/zinc/49/65/41/209496541.db2.gz UWSFUQJHMJWWFC-UHFFFAOYSA-N 0 0 331.346 4.289 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000072331738 216154810 /nfs/dbraw/zinc/15/48/10/216154810.db2.gz RROJUSQYSLDOSX-UHFFFAOYSA-N 0 0 328.170 4.071 50 0 EIAARN CNc1ccccc1NC(=O)CCn1c2ccccc2oc1=S ZINC000000224639 209495103 /nfs/dbraw/zinc/49/51/03/209495103.db2.gz XZTGQGDFAOTAIS-UHFFFAOYSA-N 0 0 327.409 4.034 50 0 biogenic EIAARN O=C(CC1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029267616 212659980 /nfs/dbraw/zinc/65/99/80/212659980.db2.gz VAYHQSULVGMEDK-UHFFFAOYSA-N 0 0 325.456 4.239 50 0 EIAARN CCSc1nnc(-c2cccnc2)n1-c1ccc(C)c(Cl)c1 ZINC000000221624 209493921 /nfs/dbraw/zinc/49/39/21/209493921.db2.gz UPXROWBUPXUHKL-UHFFFAOYSA-N 0 0 330.844 4.403 50 0 EIAARN CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 ZINC000000213957 209488181 /nfs/dbraw/zinc/48/81/81/209488181.db2.gz NNIDFDGGXNCJLZ-LBPRGKRZSA-N 0 0 332.494 4.080 50 0 EIAARN COc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O ZINC000000206396 209484830 /nfs/dbraw/zinc/48/48/30/209484830.db2.gz DMPBYYNOBGTZTB-UHFFFAOYSA-N 0 0 337.375 4.149 50 0 EIAARN O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2cccc(F)c2)o1 ZINC000000194265 209477082 /nfs/dbraw/zinc/47/70/82/209477082.db2.gz IGQZFVMAFNPJMF-UHFFFAOYSA-N 0 0 342.713 4.303 50 0 EIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C)CSC3)cc1 ZINC000000190298 209474605 /nfs/dbraw/zinc/47/46/05/209474605.db2.gz YVGIBZBAKRLOLL-UHFFFAOYSA-N 0 0 349.459 4.488 50 0 EIAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C)c2)CSC3)cc1 ZINC000000190301 209474288 /nfs/dbraw/zinc/47/42/88/209474288.db2.gz BYBHDSPWJXMGFB-UHFFFAOYSA-N 0 0 349.459 4.488 50 0 EIAARN COC(=O)c1sc2ccccc2c1NC(=O)c1cccc(C)c1 ZINC000000190388 209474298 /nfs/dbraw/zinc/47/42/98/209474298.db2.gz AFGZXDUFTDGNGQ-UHFFFAOYSA-N 0 0 325.389 4.249 50 0 EIAARN CCOC(=O)c1c(C)n(-c2ccc(OCC)cc2)c2ccc(O)cc21 ZINC000000151919 209455438 /nfs/dbraw/zinc/45/54/38/209455438.db2.gz YJWFCPJKHSTRIO-UHFFFAOYSA-N 0 0 339.391 4.220 50 0 EIAARN CN(Cc1ccccc1)C(=O)CCn1ccc2c1cccc2Cl ZINC000072403734 216195304 /nfs/dbraw/zinc/19/53/04/216195304.db2.gz VTABFLRYVSDAOB-UHFFFAOYSA-N 0 0 326.827 4.343 50 0 EIAARN Cc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)sc1C ZINC000072406173 216197207 /nfs/dbraw/zinc/19/72/07/216197207.db2.gz IBLLQYQDFHGTEF-UHFFFAOYSA-N 0 0 346.843 4.066 50 0 EIAARN Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1ccccc1 ZINC000000147867 209450036 /nfs/dbraw/zinc/45/00/36/209450036.db2.gz KQMYWELJGGXOAK-UHFFFAOYSA-N 0 0 345.324 4.358 50 0 EIAARN Cc1ccc(S(=O)(=O)NCc2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000000144491 209447959 /nfs/dbraw/zinc/44/79/59/209447959.db2.gz JFUAUUVPSHWJLV-UHFFFAOYSA-N 0 0 331.481 4.016 50 0 EIAARN Cc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 ZINC000000133531 209441675 /nfs/dbraw/zinc/44/16/75/209441675.db2.gz AGMLPBPACSPWIL-UHFFFAOYSA-N 0 0 342.782 4.468 50 0 EIAARN Cc1ccc(C(=O)NCc2csc(-c3cccs3)n2)cc1C ZINC000000131596 209440242 /nfs/dbraw/zinc/44/02/42/209440242.db2.gz AAOGTMYJXNIHBR-UHFFFAOYSA-N 0 0 328.462 4.418 50 0 EIAARN O=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000000106345 209424565 /nfs/dbraw/zinc/42/45/65/209424565.db2.gz PPEXQJAGOHHQOR-UHFFFAOYSA-N 0 0 329.359 4.071 50 0 EIAARN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000000103034 209421787 /nfs/dbraw/zinc/42/17/87/209421787.db2.gz CCMYZGLVHFRGRY-UHFFFAOYSA-N 0 0 328.462 4.048 50 0 EIAARN Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCC3 ZINC000000099195 209419057 /nfs/dbraw/zinc/41/90/57/209419057.db2.gz JPRNTSHCTIJJHG-UHFFFAOYSA-N 0 0 337.448 4.318 50 0 EIAARN CCN(Cc1ccccc1F)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072411953 216203561 /nfs/dbraw/zinc/20/35/61/216203561.db2.gz BRUVWQJPMSMTEX-UHFFFAOYSA-N 0 0 343.442 4.192 50 0 EIAARN CC1(C)C(=O)[C@@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]1C2 ZINC000000109692 209426098 /nfs/dbraw/zinc/42/60/98/209426098.db2.gz DTXQVARBXZLJMS-QLJPJBMISA-N 0 0 325.330 4.039 50 0 EIAARN Clc1ccc2[nH]c(CCCn3ccnc3-c3ccoc3)nc2c1 ZINC000072418993 216207413 /nfs/dbraw/zinc/20/74/13/216207413.db2.gz UDLYQVVVYUKVQD-UHFFFAOYSA-N 0 0 326.787 4.306 50 0 EIAARN Cc1cc2c(cc1C)[C@@H](c1cc3c(cc1Cl)OCO3)CC(=O)N2 ZINC000000088901 209412726 /nfs/dbraw/zinc/41/27/26/209412726.db2.gz RISOLTAHTLTNDH-LLVKDONJSA-N 0 0 329.783 4.160 50 0 EIAARN Clc1cc2[nH]cc(-c3nnnn3-c3ccccc3)c2cc1Cl ZINC000000088088 209412070 /nfs/dbraw/zinc/41/20/70/209412070.db2.gz WYMOIZNILBQZPP-UHFFFAOYSA-N 0 0 330.178 4.117 50 0 EIAARN CCOc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C)C3)cc1 ZINC000000083250 209407893 /nfs/dbraw/zinc/40/78/93/209407893.db2.gz HVMISXKMTUSREX-NSHDSACASA-N 0 0 330.453 4.106 50 0 EIAARN CNC(=O)c1cccc(-n2ccnc2-c2ccccc2-c2ccco2)c1 ZINC000072427308 216217200 /nfs/dbraw/zinc/21/72/00/216217200.db2.gz FWIAXNZDKGVELQ-UHFFFAOYSA-N 0 0 343.386 4.159 50 0 EIAARN O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)C1CCC1 ZINC000028221659 212604479 /nfs/dbraw/zinc/60/44/79/212604479.db2.gz TUYITONADOSNPN-UHFFFAOYSA-N 0 0 337.354 4.281 50 0 EIAARN COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000000060388 209394625 /nfs/dbraw/zinc/39/46/25/209394625.db2.gz BAPZHCNOYPQWRC-UHFFFAOYSA-N 0 0 347.414 4.474 50 0 EIAARN COc1cccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)c1 ZINC000000060051 209394628 /nfs/dbraw/zinc/39/46/28/209394628.db2.gz PCDDKDJQBZUEQW-UHFFFAOYSA-N 0 0 334.371 4.493 50 0 biogenic EIAARN O=C(OCc1ccccc1)c1ccc(C(=O)OCc2ccccc2)cc1 ZINC000000058241 209394406 /nfs/dbraw/zinc/39/44/06/209394406.db2.gz IWGFEQWCMAADJZ-UHFFFAOYSA-N 0 0 346.382 4.401 50 0 EIAARN COc1ccccc1-c1nn(CNc2ccccc2F)c(=S)o1 ZINC000000058776 209394376 /nfs/dbraw/zinc/39/43/76/209394376.db2.gz ZHOOQAKXUITRIG-UHFFFAOYSA-N 0 0 331.372 4.090 50 0 EIAARN c1ccc2[nH]c(CSc3nnc4sc5ccccc5n34)nc2c1 ZINC000000056349 209392927 /nfs/dbraw/zinc/39/29/27/209392927.db2.gz XHRZMNFEMFMWCC-UHFFFAOYSA-N 0 0 337.433 4.113 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000053301 209392351 /nfs/dbraw/zinc/39/23/51/209392351.db2.gz XNEOKQUWPKJAPM-UHFFFAOYSA-N 0 0 329.359 4.071 50 0 EIAARN CCCC(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1 ZINC000000052488 209392231 /nfs/dbraw/zinc/39/22/31/209392231.db2.gz OXGMWJYWPWUKQU-UHFFFAOYSA-N 0 0 333.457 4.153 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000000048077 209389749 /nfs/dbraw/zinc/38/97/49/209389749.db2.gz MAXNUMUSQWWIBE-UHFFFAOYSA-N 0 0 341.407 4.004 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc(Br)c(Cl)c1 ZINC000000045890 209388547 /nfs/dbraw/zinc/38/85/47/209388547.db2.gz OQFXOQCWZNEYID-GQCTYLIASA-N 0 0 326.577 4.347 50 0 EIAARN Cc1ccccc1NC(=O)Cn1ccnc1-c1cc2ccccc2o1 ZINC000072476457 216254023 /nfs/dbraw/zinc/25/40/23/216254023.db2.gz KKPSBRDSCMWFDL-UHFFFAOYSA-N 0 0 331.375 4.243 50 0 EIAARN Cc1cc(Cl)cc2c(N3CCC(c4ncc[nH]4)CC3)ccnc12 ZINC000072477632 216255457 /nfs/dbraw/zinc/25/54/57/216255457.db2.gz BRWKZZYJGZMOTF-UHFFFAOYSA-N 0 0 326.831 4.304 50 0 EIAARN Cc1nn2c(nc(-c3ccccc3)cc2NCCC(F)(F)F)c1C ZINC000072478756 216256613 /nfs/dbraw/zinc/25/66/13/216256613.db2.gz PPVZISUGNPOOEZ-UHFFFAOYSA-N 0 0 334.345 4.377 50 0 EIAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCC(C)C ZINC000027632072 212568905 /nfs/dbraw/zinc/56/89/05/212568905.db2.gz HSMOMNDMPSABFR-UHFFFAOYSA-N 0 0 340.471 4.355 50 0 EIAARN COc1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 ZINC000027662318 212571929 /nfs/dbraw/zinc/57/19/29/212571929.db2.gz FZCVFYPFDGONJQ-UHFFFAOYSA-N 0 0 336.366 4.076 50 0 EIAARN CCOc1ccc(Cl)cc1S(=O)(=O)N(CC)C1CCCCC1 ZINC000027588292 212567778 /nfs/dbraw/zinc/56/77/78/212567778.db2.gz QNWMRRZPYLKJRF-UHFFFAOYSA-N 0 0 345.892 4.082 50 0 EIAARN CCC(CC)c1nnc(NC(=O)CCC(=O)c2ccc(C)cc2)s1 ZINC000026561844 212525335 /nfs/dbraw/zinc/52/53/35/212525335.db2.gz HVYZKJNOYOCKSO-UHFFFAOYSA-N 0 0 345.468 4.352 50 0 EIAARN CNC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000026437522 212519551 /nfs/dbraw/zinc/51/95/51/212519551.db2.gz XBOGALZWRXUYKL-ZDUSSCGKSA-N 0 0 338.432 4.235 50 0 EIAARN CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000026379265 212517004 /nfs/dbraw/zinc/51/70/04/212517004.db2.gz WKZUOJZEVLTDAD-GJZGRUSLSA-N 0 0 339.439 4.075 50 0 EIAARN Cc1cc(NCc2ncc(-c3cccs3)o2)ccc1C(=O)N(C)C ZINC000072912589 216327259 /nfs/dbraw/zinc/32/72/59/216327259.db2.gz NZEMUGJQIZMRHB-UHFFFAOYSA-N 0 0 341.436 4.025 50 0 EIAARN Cc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(C)n1C1CC1 ZINC000073066955 216347192 /nfs/dbraw/zinc/34/71/92/216347192.db2.gz UFQOOEIMLLYNSE-UHFFFAOYSA-N 0 0 348.450 4.495 50 0 EIAARN CCCN(C(=O)c1ccncc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000073050687 216344082 /nfs/dbraw/zinc/34/40/82/216344082.db2.gz DDMZIZQIMVEKER-MRXNPFEDSA-N 0 0 328.843 4.145 50 0 EIAARN O=C(c1ccc2ncsc2c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025535096 212487911 /nfs/dbraw/zinc/48/79/11/212487911.db2.gz YUMDVYPTYQWMHI-MRXNPFEDSA-N 0 0 326.396 4.413 50 0 EIAARN O=C(OCCc1cccnc1)c1nc(-c2ccccc2)oc1C1CC1 ZINC000073299867 216375130 /nfs/dbraw/zinc/37/51/30/216375130.db2.gz ZDQYTZHOUGSAGS-UHFFFAOYSA-N 0 0 334.375 4.014 50 0 EIAARN O=C(NC1CCC(c2ccccc2)CC1)c1ccc(Br)o1 ZINC000025097675 212459800 /nfs/dbraw/zinc/45/98/00/212459800.db2.gz CPPJFZGTBNAGBE-UHFFFAOYSA-N 0 0 348.240 4.498 50 0 EIAARN CC(C)c1noc(CSc2nc(C3CC3)nc3ccccc32)n1 ZINC000025051395 212456675 /nfs/dbraw/zinc/45/66/75/212456675.db2.gz BEGFERVPDDDDCP-UHFFFAOYSA-N 0 0 326.425 4.306 50 0 EIAARN O=C(OCc1cnn(-c2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000024992324 212452833 /nfs/dbraw/zinc/45/28/33/212452833.db2.gz AVEJLLUFSITRJS-UHFFFAOYSA-N 0 0 336.435 4.132 50 0 EIAARN COc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 ZINC000024842313 212443871 /nfs/dbraw/zinc/44/38/71/212443871.db2.gz UOAMDTCNTKMALW-UHFFFAOYSA-N 0 0 345.196 4.191 50 0 EIAARN C[C@H]1CCc2nc(NC(=O)CCCC(=O)c3cccs3)sc2C1 ZINC000024843021 212443375 /nfs/dbraw/zinc/44/33/75/212443375.db2.gz AWAQAEZAGDJXEX-NSHDSACASA-N 0 0 348.493 4.321 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3F)cc2)cs1 ZINC000012977285 541307940 /nfs/dbraw/zinc/30/79/40/541307940.db2.gz YUAHIERDQPSTHG-UHFFFAOYSA-N 0 0 344.386 4.327 50 0 EIAARN C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccs1 ZINC000024760025 212438086 /nfs/dbraw/zinc/43/80/86/212438086.db2.gz XXVKSSJOWRSXRB-VIFPVBQESA-N 0 0 349.253 4.483 50 0 EIAARN O=C(Nc1ccccn1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000024444848 212420785 /nfs/dbraw/zinc/42/07/85/212420785.db2.gz WWKQXWIUXUDMNW-LJQANCHMSA-N 0 0 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/nfs/dbraw/zinc/25/02/37/212250237.db2.gz CGDILPOSXFBCJJ-UHFFFAOYSA-N 0 0 338.363 4.001 50 0 EIAARN O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H]1c1cccc(F)c1 ZINC000021791442 212249800 /nfs/dbraw/zinc/24/98/00/212249800.db2.gz XHGFJWDJINQRMV-SFHVURJKSA-N 0 0 336.366 4.458 50 0 EIAARN Cc1c(C)n(-c2ccccc2)c2ncn3nc(-c4ccccc4)nc3c12 ZINC000021801107 212252019 /nfs/dbraw/zinc/25/20/19/212252019.db2.gz YFSLACQSHIKOKC-UHFFFAOYSA-N 0 0 339.402 4.352 50 0 EIAARN Cc1cccc(NC(=O)c2cccn3c2nnc3-c2ccccc2F)c1 ZINC000021723440 212245578 /nfs/dbraw/zinc/24/55/78/212245578.db2.gz DEYNWDYHTYNTRV-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN O=C(CC(F)(F)F)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000225472423 241882709 /nfs/dbraw/zinc/88/27/09/241882709.db2.gz DYGSMAZOCQVKLZ-UHFFFAOYSA-N 0 0 334.750 4.032 50 0 EIAARN CCOc1ccc(NC(=O)NCc2cccnc2-c2ccco2)cc1 ZINC000225662392 241976485 /nfs/dbraw/zinc/97/64/85/241976485.db2.gz YMJMPIHHLSZCML-UHFFFAOYSA-N 0 0 337.379 4.062 50 0 EIAARN COc1cccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)c1OC ZINC000021720416 212244896 /nfs/dbraw/zinc/24/48/96/212244896.db2.gz VZLCDPVONDSHJA-MRXNPFEDSA-N 0 0 330.428 4.152 50 0 EIAARN O=C(CSC1CCCC1)NCc1cncc(-c2cccs2)c1 ZINC000225666115 241978879 /nfs/dbraw/zinc/97/88/79/241978879.db2.gz VGVAIXKIOLPZTK-UHFFFAOYSA-N 0 0 332.494 4.102 50 0 EIAARN Cc1cc(C)n(-c2ccc(CCC(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000225604888 241949199 /nfs/dbraw/zinc/94/91/99/241949199.db2.gz CZWCKLPCRCTHLP-UHFFFAOYSA-N 0 0 337.398 4.200 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@@H]2CCSC2)nc1 ZINC000225714135 242001365 /nfs/dbraw/zinc/00/13/65/242001365.db2.gz GVKPUIGGCZSTBW-CYBMUJFWSA-N 0 0 348.855 4.180 50 0 EIAARN O=C(c1cc2cc(Cl)ccn2n1)N1CCC[C@H]1c1cccs1 ZINC000225797946 242041709 /nfs/dbraw/zinc/04/17/09/242041709.db2.gz LMKKTQXDZKCRFP-AWEZNQCLSA-N 0 0 331.828 4.027 50 0 EIAARN C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(F)c(Cl)cc1Cl ZINC000225734735 242010673 /nfs/dbraw/zinc/01/06/73/242010673.db2.gz UBAIOXZUGJPSKL-SECBINFHSA-N 0 0 345.249 4.330 50 0 EIAARN O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(Cl)s1 ZINC000225754562 242019792 /nfs/dbraw/zinc/01/97/92/242019792.db2.gz TWIKZJOSENWUEU-UHFFFAOYSA-N 0 0 334.853 4.455 50 0 EIAARN CCn1nc(C)c2nc(C(C)C)nc(NCCc3ccccc3F)c21 ZINC000226743791 242110433 /nfs/dbraw/zinc/11/04/33/242110433.db2.gz VHFKVYOITHQAKC-UHFFFAOYSA-N 0 0 341.434 4.072 50 0 EIAARN Cc1ccc(C)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)c1 ZINC000021650705 212237140 /nfs/dbraw/zinc/23/71/40/212237140.db2.gz SMAJZAHYCKDGGU-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000229260597 242155048 /nfs/dbraw/zinc/15/50/48/242155048.db2.gz IMHBYQMFUUXUMU-GXTWGEPZSA-N 0 0 338.411 4.029 50 0 EIAARN Cc1ccc(CCNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000021540800 212232056 /nfs/dbraw/zinc/23/20/56/212232056.db2.gz GSPKPQZGZBPXEJ-UHFFFAOYSA-N 0 0 339.826 4.011 50 0 EIAARN Fc1ccc(C2=Nc3ccc(F)cc3N=C(c3cccnc3)N2)cc1 ZINC000021523193 212229051 /nfs/dbraw/zinc/22/90/51/212229051.db2.gz IJXNRRZDKVZCNT-UHFFFAOYSA-N 0 0 334.329 4.310 50 0 EIAARN O=C(N[C@H]1CCOC2(CCCC2)C1)N[C@H]1CCSc2ccccc21 ZINC000132984991 223379454 /nfs/dbraw/zinc/37/94/54/223379454.db2.gz NGFSGFVIHZBPBS-HOCLYGCPSA-N 0 0 346.496 4.015 50 0 EIAARN O=C(Nc1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1)C1CC1 ZINC000021370641 212223631 /nfs/dbraw/zinc/22/36/31/212223631.db2.gz RCAPOYNYJXFYEV-UHFFFAOYSA-N 0 0 347.773 4.185 50 0 EIAARN C[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccc2c(c1)CCCC2 ZINC000021398347 212222825 /nfs/dbraw/zinc/22/28/25/212222825.db2.gz OFYVRHIOAHKWNW-JLTOFOAXSA-N 0 0 337.488 4.460 50 0 EIAARN CC(C)c1nc([C@H]2CCCN2C(=O)CC/C=C/c2ccccc2)no1 ZINC000076044472 216691774 /nfs/dbraw/zinc/69/17/74/216691774.db2.gz FBMVEZFFGAGQAM-SCBHQAGPSA-N 0 0 339.439 4.350 50 0 EIAARN C[C@H](Sc1nnc(Cc2ccccc2)n1C)c1ccc(F)cc1 ZINC000021280237 212217330 /nfs/dbraw/zinc/21/73/30/212217330.db2.gz LPJKUPZKXPSFKC-ZDUSSCGKSA-N 0 0 327.428 4.398 50 0 EIAARN COc1ccc2c(c1)N=C(c1cccnc1)NC(c1ccccc1)=N2 ZINC000021169664 212214388 /nfs/dbraw/zinc/21/43/88/212214388.db2.gz UKJJKACGVLJPMO-UHFFFAOYSA-N 0 0 328.375 4.041 50 0 EIAARN Cc1ccc(-n2c(Nc3ccccc3C)c3[nH]cccc-3c2=O)cc1 ZINC000021108022 212209064 /nfs/dbraw/zinc/20/90/64/212209064.db2.gz MRLLRDFQIUCXKE-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN O=c1c2ccc[nH]c-2c(Nc2ccc(F)cc2)n1Cc1cccs1 ZINC000021105965 212207686 /nfs/dbraw/zinc/20/76/86/212207686.db2.gz DQAGTCOZBHWAFL-QGZVFWFLSA-N 0 0 339.395 4.049 50 0 EIAARN Cc1ccc(C)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c1 ZINC000021105083 212207439 /nfs/dbraw/zinc/20/74/39/212207439.db2.gz UMMYCQPEAZAQDP-LJQANCHMSA-N 0 0 333.391 4.058 50 0 EIAARN O=C(c1cccc2c1SCCC2=O)N1CC=C(c2ccccc2)CC1 ZINC000021103116 212206984 /nfs/dbraw/zinc/20/69/84/212206984.db2.gz CTTOQARDDUBHOF-UHFFFAOYSA-N 0 0 349.455 4.295 50 0 EIAARN Cc1c(C)n(C)c2ccc(C(=O)NCc3ccc(Cl)cc3)cc12 ZINC000021163960 212212108 /nfs/dbraw/zinc/21/21/08/212212108.db2.gz VFJKOQBEOXHXAS-UHFFFAOYSA-N 0 0 326.827 4.379 50 0 EIAARN CCc1ccc(CNC(=O)c2ncoc2-c2cccc(Cl)c2)cc1 ZINC000021044820 212202976 /nfs/dbraw/zinc/20/29/76/212202976.db2.gz DHQVWXDXNMPWFP-UHFFFAOYSA-N 0 0 340.810 4.487 50 0 EIAARN COc1ccc(CNC(=O)C[C@@H](c2ccccc2C)n2cccc2)cc1 ZINC000020998645 212197146 /nfs/dbraw/zinc/19/71/46/212197146.db2.gz SNJTXAJLROZHDD-NRFANRHFSA-N 0 0 348.446 4.101 50 0 EIAARN O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1Cl ZINC000020996997 212196131 /nfs/dbraw/zinc/19/61/31/212196131.db2.gz JUPYCEQDYWKTOP-INIZCTEOSA-N 0 0 344.867 4.499 50 0 EIAARN CCc1ccc(CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000020995738 212196049 /nfs/dbraw/zinc/19/60/49/212196049.db2.gz RUOQPVFOYAYEPG-UHFFFAOYSA-N 0 0 339.826 4.223 50 0 EIAARN CC[C@H](Sc1nc2ncccc2o1)C(=O)Nc1ccc(C)c(C)c1 ZINC000020993881 212195256 /nfs/dbraw/zinc/19/52/56/212195256.db2.gz RUGNRMYJRNZWMZ-HNNXBMFYSA-N 0 0 341.436 4.349 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000020924373 212188028 /nfs/dbraw/zinc/18/80/28/212188028.db2.gz UKKOACGBHPZJRK-NSHDSACASA-N 0 0 337.826 4.131 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2Cl)no1 ZINC000020888840 212182381 /nfs/dbraw/zinc/18/23/81/212182381.db2.gz RDCKNFCWQHHHDW-SNVBAGLBSA-N 0 0 345.761 4.020 50 0 EIAARN C[C@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2Cl)no1 ZINC000020888844 212181590 /nfs/dbraw/zinc/18/15/90/212181590.db2.gz RDCKNFCWQHHHDW-JTQLQIEISA-N 0 0 345.761 4.020 50 0 EIAARN CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000020890504 212181738 /nfs/dbraw/zinc/18/17/38/212181738.db2.gz RQEGHMCUJCCAQX-UHFFFAOYSA-N 0 0 326.396 4.310 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)on1 ZINC000020911870 212185939 /nfs/dbraw/zinc/18/59/39/212185939.db2.gz DPGXRBWAQAHNBS-CQSZACIVSA-N 0 0 332.831 4.471 50 0 EIAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000020900317 212184692 /nfs/dbraw/zinc/18/46/92/212184692.db2.gz MLFSIKKCTSHUCX-QQABJKMWSA-N 0 0 341.499 4.242 50 0 EIAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000020900319 212184541 /nfs/dbraw/zinc/18/45/41/212184541.db2.gz MLFSIKKCTSHUCX-IGDKPHCXSA-N 0 0 341.499 4.242 50 0 EIAARN Cc1ccc(C)c(N(C)C(=O)c2noc3c2COc2ccccc2-3)c1 ZINC000020901946 212184255 /nfs/dbraw/zinc/18/42/55/212184255.db2.gz KKMUHNBWPDYIDV-UHFFFAOYSA-N 0 0 334.375 4.127 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000242324400 243017644 /nfs/dbraw/zinc/01/76/44/243017644.db2.gz ZBALUHHDYZQXBC-KRWDZBQOSA-N 0 0 342.418 4.412 50 0 EIAARN Cc1nn(-c2cccc(C)c2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 ZINC000020898711 212183310 /nfs/dbraw/zinc/18/33/10/212183310.db2.gz MWUXAIICLCYWIH-LJQANCHMSA-N 0 0 349.459 4.264 50 0 EIAARN CSc1cccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1C ZINC000242140812 243009548 /nfs/dbraw/zinc/00/95/48/243009548.db2.gz WPLLCXRJEUIJIH-OAHLLOKOSA-N 0 0 330.457 4.199 50 0 EIAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000020763178 212169831 /nfs/dbraw/zinc/16/98/31/212169831.db2.gz YMGYPUHYQQMESZ-UHFFFAOYSA-N 0 0 343.430 4.085 50 0 biogenic EIAARN O=C(Oc1ccccc1Cl)C1=C(c2ccccc2)SCCO1 ZINC000020739975 212168637 /nfs/dbraw/zinc/16/86/37/212168637.db2.gz KBNLBWQMHASWMD-UHFFFAOYSA-N 0 0 332.808 4.378 50 0 EIAARN O=C1CS[C@H](c2cccc(OC3CCCC3)c2)c2c[nH]nc2N1 ZINC000020745047 212168399 /nfs/dbraw/zinc/16/83/99/212168399.db2.gz IYIGMVQGYSMSNZ-MRXNPFEDSA-N 0 0 329.425 4.155 50 0 EIAARN Clc1ccc(-c2ccc(NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000020718104 212163977 /nfs/dbraw/zinc/16/39/77/212163977.db2.gz FHHBLRXPTQHTAX-UHFFFAOYSA-N 0 0 339.782 4.138 50 0 EIAARN Cc1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1 ZINC000020616045 212155985 /nfs/dbraw/zinc/15/59/85/212155985.db2.gz NMLIEDUGPGDSKE-UHFFFAOYSA-N 0 0 339.342 4.214 50 0 EIAARN Cc1c(C)c(=O)oc2c1ccc1c2CN([C@@H](C)c2ccccc2)CO1 ZINC000020609922 212155011 /nfs/dbraw/zinc/15/50/11/212155011.db2.gz JWDBOTUBEZAKIS-HNNXBMFYSA-N 0 0 335.403 4.323 50 0 biogenic EIAARN C[C@@H](CNC(=O)Nc1cccc2ccccc21)Cn1cc(Cl)cn1 ZINC000020606817 212153454 /nfs/dbraw/zinc/15/34/54/212153454.db2.gz YPPXFBJUXDXILF-ZDUSSCGKSA-N 0 0 342.830 4.148 50 0 EIAARN Cc1nn(C)c(C)c1-c1ccnc(NCc2ccc3sccc3c2)n1 ZINC000020600640 212151476 /nfs/dbraw/zinc/15/14/76/212151476.db2.gz WOIQXOLYHCUOHV-UHFFFAOYSA-N 0 0 349.463 4.321 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1cc2c3c(ccc2Cl)OCCn13 ZINC000020559897 212146868 /nfs/dbraw/zinc/14/68/68/212146868.db2.gz GJRGKHWDIFLPKD-UHFFFAOYSA-N 0 0 330.746 4.079 50 0 EIAARN O=C(NCCC1=CCCCC1)c1cc2cccc3c2n1CCS3 ZINC000020559746 212146666 /nfs/dbraw/zinc/14/66/66/212146666.db2.gz QLBFCSGWJQLRQF-UHFFFAOYSA-N 0 0 326.465 4.367 50 0 EIAARN Cc1cccnc1-c1cccc(-c2ccn(C[C@H]3CCCCO3)n2)c1 ZINC000020535928 212144583 /nfs/dbraw/zinc/14/45/83/212144583.db2.gz VASJILRLECWYMK-LJQANCHMSA-N 0 0 333.435 4.490 50 0 EIAARN Cc1ccsc1CCNc1c(=O)c(=O)c1-c1ccc(C(C)C)cc1 ZINC000020510310 212141804 /nfs/dbraw/zinc/14/18/04/212141804.db2.gz UKBNFVLIGWOHDA-UHFFFAOYSA-N 0 0 339.460 4.098 50 0 EIAARN CC(C)Cn1ccc2c1cccc2OCC(=O)Nc1cccc(O)c1 ZINC000253410146 243920753 /nfs/dbraw/zinc/92/07/53/243920753.db2.gz MWTBLVIXAREQGY-UHFFFAOYSA-N 0 0 338.407 4.020 50 0 EIAARN CCOC(=O)c1sc2[nH]c(C3CCC(C)CC3)nc(=O)c2c1C ZINC000253537007 244015106 /nfs/dbraw/zinc/01/51/06/244015106.db2.gz ZDKHSNBDIVERPU-UHFFFAOYSA-N 0 0 334.441 4.176 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1F ZINC000020457683 212133225 /nfs/dbraw/zinc/13/32/25/212133225.db2.gz FFUZTPBNAOIHMX-UHFFFAOYSA-N 0 0 327.186 4.497 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O ZINC000253596343 244031668 /nfs/dbraw/zinc/03/16/68/244031668.db2.gz QGISYVREUUQQKE-QHLWVNNFSA-N 0 0 332.484 4.341 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CCC21OCCO1 ZINC000253596535 244032400 /nfs/dbraw/zinc/03/24/00/244032400.db2.gz SLODIKZFXFILEX-KUIMHTBBSA-N 0 0 332.484 4.341 50 0 EIAARN O=C(Nc1c(F)cccc1F)c1cc(F)ccc1Br ZINC000020307058 212117770 /nfs/dbraw/zinc/11/77/70/212117770.db2.gz IEVLUSJSVIXXGX-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN O=C(c1nc2c(n1O)CCCCC2)c1ccc(Oc2ccccc2)cc1 ZINC000020060071 212098725 /nfs/dbraw/zinc/09/87/25/212098725.db2.gz CHOGZMQRYZRCEV-UHFFFAOYSA-N 0 0 348.402 4.413 50 0 EIAARN Cc1cc(C(=O)N2CC(Oc3ccccc3)C2)c2ccc(C)c(C)c2n1 ZINC000077319235 216870842 /nfs/dbraw/zinc/87/08/42/216870842.db2.gz BXSXBGYIAKGVHR-UHFFFAOYSA-N 0 0 346.430 4.063 50 0 EIAARN C[C@H](NC(=O)c1cc(F)ccc1F)c1cccc(Br)c1 ZINC000020029747 212094717 /nfs/dbraw/zinc/09/47/17/212094717.db2.gz OXQSCFLWMDLSJD-VIFPVBQESA-N 0 0 340.167 4.218 50 0 EIAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc(Cl)ccn1 ZINC000020022799 212094734 /nfs/dbraw/zinc/09/47/34/212094734.db2.gz KPCSFACNLCROAB-UHFFFAOYSA-N 0 0 347.802 4.174 50 0 EIAARN CCCCn1c2ccccc2n(CCOc2ccccc2Cl)c1=N ZINC000019939829 212088802 /nfs/dbraw/zinc/08/88/02/212088802.db2.gz UCJOBFQCNKCBGH-UHFFFAOYSA-N 0 0 343.858 4.455 50 0 EIAARN CCc1ccc(N2C(=O)CS[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000019927366 212084683 /nfs/dbraw/zinc/08/46/83/212084683.db2.gz XNOICCLZDJFKJD-LJQANCHMSA-N 0 0 343.448 4.045 50 0 EIAARN CCOC(=O)Nc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn21 ZINC000019898724 212080889 /nfs/dbraw/zinc/08/08/89/212080889.db2.gz RECNLJXFJBWNTJ-UHFFFAOYSA-N 0 0 333.750 4.362 50 0 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C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccco1 ZINC000014123510 211686704 /nfs/dbraw/zinc/68/67/04/211686704.db2.gz PTYVISQRPUCNBR-GFCCVEGCSA-N 0 0 340.404 4.084 50 0 EIAARN CC(=O)c1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000014093235 211679573 /nfs/dbraw/zinc/67/95/73/211679573.db2.gz KEHIFENMYVACGC-UHFFFAOYSA-N 0 0 328.755 4.172 50 0 EIAARN CCCCc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1 ZINC000013331178 211547454 /nfs/dbraw/zinc/54/74/54/211547454.db2.gz TXCKCRAVZGRNKZ-UHFFFAOYSA-N 0 0 338.436 4.195 50 0 EIAARN Cc1ccc(Cn2ccc(NC(=S)Nc3cccc(C)c3)n2)cc1 ZINC000013330856 211547114 /nfs/dbraw/zinc/54/71/14/211547114.db2.gz ACFKQVBJGJBLQK-UHFFFAOYSA-N 0 0 336.464 4.357 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2csc3c2CC[C@@H](C)C3)c1 ZINC000013326796 211546355 /nfs/dbraw/zinc/54/63/55/211546355.db2.gz OKEXRRVPSOXDEP-LLVKDONJSA-N 0 0 328.437 4.084 50 0 EIAARN COc1ccccc1CCNC(=O)Nc1ccccc1C(F)(F)F ZINC000013324151 211544326 /nfs/dbraw/zinc/54/43/26/211544326.db2.gz MQUUQCIBYCJSQB-UHFFFAOYSA-N 0 0 338.329 4.078 50 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343.370 4.077 50 0 EIAARN CC(C)n1ccc2c1nc1c(c2C(=O)NC2CCCCC2)CCC1 ZINC000094992971 218271925 /nfs/dbraw/zinc/27/19/25/218271925.db2.gz ODTANSMBWHQIOW-UHFFFAOYSA-N 0 0 325.456 4.168 50 0 EIAARN CC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000009231054 211055896 /nfs/dbraw/zinc/05/58/96/211055896.db2.gz PWOVODXPGXDJFS-UHFFFAOYSA-N 0 0 336.863 4.387 50 0 EIAARN FC(F)(Cl)Oc1c(Br)cccc1Br ZINC000095215729 218282920 /nfs/dbraw/zinc/28/29/20/218282920.db2.gz VPLSZDGWKWBQPX-UHFFFAOYSA-N 0 0 336.357 4.380 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)c3cc4ccccc4cc3O)cnc21 ZINC000095348789 218282926 /nfs/dbraw/zinc/28/29/26/218282926.db2.gz QBCVZFRBVGXWIK-UHFFFAOYSA-N 0 0 346.390 4.123 50 0 EIAARN CC(C)(C)c1cc(NC(=O)CSc2ccc3ccccc3n2)on1 ZINC000009118403 211043508 /nfs/dbraw/zinc/04/35/08/211043508.db2.gz CBVWCMVZYWTRLH-UHFFFAOYSA-N 0 0 341.436 4.251 50 0 EIAARN CCc1ccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)cc1 ZINC000009088309 211039280 /nfs/dbraw/zinc/03/92/80/211039280.db2.gz SNNSDIGYWXNGCC-UHFFFAOYSA-N 0 0 345.406 4.481 50 0 EIAARN Cc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)nn1C ZINC000009001744 211030313 /nfs/dbraw/zinc/03/03/13/211030313.db2.gz SHZLCPBDTLXTEY-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN O=C(c1cc2ccccc2o1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000009060201 211036250 /nfs/dbraw/zinc/03/62/50/211036250.db2.gz HUHIRPOFQCQFJO-MRXNPFEDSA-N 0 0 331.375 4.286 50 0 EIAARN COc1ccc(-c2nnc3sc(-c4c[nH]c5ccccc54)nn32)cc1 ZINC000009051529 211034038 /nfs/dbraw/zinc/03/40/38/211034038.db2.gz AVUWTLXLQCXCCG-UHFFFAOYSA-N 0 0 347.403 4.010 50 0 EIAARN c1[nH]c2ccccc2c1-c1nn2c(CCc3ccccc3)nnc2s1 ZINC000008991165 211028828 /nfs/dbraw/zinc/02/88/28/211028828.db2.gz XMPMWMZPOXQHKG-UHFFFAOYSA-N 0 0 345.431 4.119 50 0 EIAARN CSc1ccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)cc1 ZINC000008990482 211028344 /nfs/dbraw/zinc/02/83/44/211028344.db2.gz NBUCCVHTYOHODD-UHFFFAOYSA-N 0 0 336.420 4.120 50 0 EIAARN Cc1nc2ncccc2c(N[C@H]2CCCC[C@@H]2OCc2ccccc2)n1 ZINC000095379714 218312683 /nfs/dbraw/zinc/31/26/83/218312683.db2.gz LMJRHJGMOLYKRH-OALUTQOASA-N 0 0 348.450 4.273 50 0 EIAARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(C)o1 ZINC000008843940 211010761 /nfs/dbraw/zinc/01/07/61/211010761.db2.gz PQRNSXFKYNSMTO-HNNXBMFYSA-N 0 0 347.212 4.048 50 0 EIAARN Cc1ccc2oc(C(=O)Nc3cccc(Br)c3)cc2n1 ZINC000008798642 211007177 /nfs/dbraw/zinc/00/71/77/211007177.db2.gz IEZXAVVIJIVERJ-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN CC(C)NC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 ZINC000008854290 211012498 /nfs/dbraw/zinc/01/24/98/211012498.db2.gz WTNJSMHHJZUIHN-UHFFFAOYSA-N 0 0 340.901 4.156 50 0 EIAARN Cc1ccc(CNC(=O)c2c(C)onc2-c2ccccc2Cl)o1 ZINC000008860303 211011879 /nfs/dbraw/zinc/01/18/79/211011879.db2.gz HDIDBZBUOMESOP-UHFFFAOYSA-N 0 0 330.771 4.135 50 0 EIAARN Cc1nc(NC(=O)Cc2csc(-c3ccsc3)n2)sc1C ZINC000008775505 211005391 /nfs/dbraw/zinc/00/53/91/211005391.db2.gz KURXBIXOUFVCSH-UHFFFAOYSA-N 0 0 335.479 4.126 50 0 EIAARN Cc1ccc2[nH]c(CCC(=O)Nc3cccc(C(F)(F)F)c3)nc2c1 ZINC000008772038 211003190 /nfs/dbraw/zinc/00/31/90/211003190.db2.gz UXTXXHHJKPQCDA-UHFFFAOYSA-N 0 0 347.340 4.461 50 0 EIAARN Cc1ccc(-c2csc3ncn(C[C@@H]4CCCCO4)c(=O)c23)cc1 ZINC000008734883 210994593 /nfs/dbraw/zinc/99/45/93/210994593.db2.gz QGVRAWGDGQEPRV-HNNXBMFYSA-N 0 0 340.448 4.003 50 0 EIAARN Cc1nnc(CN2CC[C@H](c3cccc(Oc4ccccc4)c3)C2)o1 ZINC000095405399 218340993 /nfs/dbraw/zinc/34/09/93/218340993.db2.gz BJUOFCYDRSTVRE-KRWDZBQOSA-N 0 0 335.407 4.160 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)N(c1ccccc1)c1ccccc1 ZINC000008714534 210988167 /nfs/dbraw/zinc/98/81/67/210988167.db2.gz FPDLFCAEPYSYAF-UHFFFAOYSA-N 0 0 346.386 4.463 50 0 EIAARN Cc1cc(C)n(C[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000008714386 210987816 /nfs/dbraw/zinc/98/78/16/210987816.db2.gz PZQHZKVCNLUEPC-VIFPVBQESA-N 0 0 326.227 4.082 50 0 EIAARN O=C(Nc1ccccc1NCc1cn2ccccc2n1)c1cccs1 ZINC000095409493 218346111 /nfs/dbraw/zinc/34/61/11/218346111.db2.gz NVRGTGZLTUCZEC-UHFFFAOYSA-N 0 0 348.431 4.260 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)nnn2C1CCCC1 ZINC000008600139 210971507 /nfs/dbraw/zinc/97/15/07/210971507.db2.gz GHQLPRFAIPCZFY-UHFFFAOYSA-N 0 0 334.423 4.416 50 0 EIAARN CC[C@H](NC(=O)N1CCO[C@H](c2ccsc2)C1)c1cccs1 ZINC000095412409 218350063 /nfs/dbraw/zinc/35/00/63/218350063.db2.gz GNSPVKUWHYVKSQ-KBPBESRZSA-N 0 0 336.482 4.044 50 0 EIAARN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C1=COCCC1 ZINC000095413098 218350544 /nfs/dbraw/zinc/35/05/44/218350544.db2.gz TVXZFWDJKHYYPF-CQSZACIVSA-N 0 0 342.464 4.332 50 0 EIAARN COc1ccccc1OCc1ccccc1NC(=O)NC1CC=CC1 ZINC000095414226 218352390 /nfs/dbraw/zinc/35/23/90/218352390.db2.gz CTHUOCXQOGUWKR-UHFFFAOYSA-N 0 0 338.407 4.114 50 0 EIAARN Cc1nc(CC(=O)NCc2ccccc2)sc1-c1ccc(F)cc1 ZINC000095427184 218369175 /nfs/dbraw/zinc/36/91/75/218369175.db2.gz AFCWPDRNUGDEPT-UHFFFAOYSA-N 0 0 340.423 4.117 50 0 EIAARN c1nnc(-c2cccc(NCc3cccc(-c4ccncc4)c3)c2)o1 ZINC000095428647 218370866 /nfs/dbraw/zinc/37/08/66/218370866.db2.gz KAJPYQLBHZMADO-UHFFFAOYSA-N 0 0 328.375 4.411 50 0 EIAARN Cc1nnc(-c2ccc(NCc3csc(-c4ccccn4)n3)cc2)o1 ZINC000095429258 218371895 /nfs/dbraw/zinc/37/18/95/218371895.db2.gz GPVDZZUDQIMDIM-UHFFFAOYSA-N 0 0 349.419 4.176 50 0 EIAARN CC(=O)N(Cc1ccc(NCc2c(F)cccc2F)cc1)C1CC1 ZINC000095429191 218372136 /nfs/dbraw/zinc/37/21/36/218372136.db2.gz UICVRALSXWYRLF-UHFFFAOYSA-N 0 0 330.378 4.088 50 0 EIAARN O=C(OCc1ccc(Cl)cc1)c1cc(O)c2ccccc2c1O ZINC000008277636 210925277 /nfs/dbraw/zinc/92/52/77/210925277.db2.gz IHRDVRFMYMEJKX-UHFFFAOYSA-N 0 0 328.751 4.261 50 0 EIAARN O=C(CSc1nnc(NC2CC2)s1)c1ccc2ccccc2c1 ZINC000008271877 210924648 /nfs/dbraw/zinc/92/46/48/210924648.db2.gz SLBJFCBSYSSKQA-UHFFFAOYSA-N 0 0 341.461 4.241 50 0 EIAARN Cc1ocnc1C(=O)N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000095449200 218392683 /nfs/dbraw/zinc/39/26/83/218392683.db2.gz FPTZNKQNSYWCGQ-NSHDSACASA-N 0 0 332.709 4.060 50 0 EIAARN O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 ZINC000008288442 210927464 /nfs/dbraw/zinc/92/74/64/210927464.db2.gz SLLXRLCCYRIYCM-UHFFFAOYSA-N 0 0 349.173 4.400 50 0 EIAARN C[C@@]1(CCCO)CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000095455383 218398403 /nfs/dbraw/zinc/39/84/03/218398403.db2.gz RZQYQLAYMSKQIN-HNNXBMFYSA-N 0 0 331.243 4.152 50 0 EIAARN O=C(OCc1ccccc1)N1CCc2ccc(Br)cc2C1 ZINC000095495800 218412706 /nfs/dbraw/zinc/41/27/06/218412706.db2.gz RRSOZVJLXHQQSF-UHFFFAOYSA-N 0 0 346.224 4.144 50 0 EIAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc2c(c1)CCC2 ZINC000008193256 210911369 /nfs/dbraw/zinc/91/13/69/210911369.db2.gz AIDPOIPMIXWVGH-UHFFFAOYSA-N 0 0 335.403 4.469 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)NCc3ccc(F)cc3)ccc2c1 ZINC000008136598 210902278 /nfs/dbraw/zinc/90/22/78/210902278.db2.gz GWZPFFZIIUWFKD-AWEZNQCLSA-N 0 0 337.394 4.407 50 0 EIAARN O=C(Cc1csc(-c2cccnc2)n1)Nc1cccc(Cl)c1 ZINC000008060473 210888544 /nfs/dbraw/zinc/88/85/44/210888544.db2.gz ZWMOCYBZYBBKLN-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN CSc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 ZINC000008049629 210888002 /nfs/dbraw/zinc/88/80/02/210888002.db2.gz JCNBYOOVPMUYGM-UHFFFAOYSA-N 0 0 345.512 4.449 50 0 EIAARN FC(F)(F)Sc1cc2ncoc2c(I)c1 ZINC000095829822 218448424 /nfs/dbraw/zinc/44/84/24/218448424.db2.gz OQKKBQNJNFHNTQ-UHFFFAOYSA-N 0 0 345.083 4.044 50 0 EIAARN CCOc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 ZINC000007995646 210878868 /nfs/dbraw/zinc/87/88/68/210878868.db2.gz WXJOWOBCEDMUJN-UHFFFAOYSA-N 0 0 338.432 4.390 50 0 EIAARN CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007984752 210875911 /nfs/dbraw/zinc/87/59/11/210875911.db2.gz TTZWKEBCBWNFJM-CQSZACIVSA-N 0 0 341.436 4.132 50 0 EIAARN O=C(OCc1cc(-c2ccco2)on1)c1ccccc1C(F)(F)F ZINC000007886857 210859758 /nfs/dbraw/zinc/85/97/58/210859758.db2.gz RECZGJWTGUWADQ-UHFFFAOYSA-N 0 0 337.253 4.310 50 0 EIAARN COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2C)cc1F ZINC000007830465 210853916 /nfs/dbraw/zinc/85/39/16/210853916.db2.gz RAFARIDUSJWUPF-FVOPLDGLSA-N 0 0 331.412 4.055 50 0 EIAARN Cc1cc(C)cc(OCC(=O)OCc2ncc(-c3ccccc3)o2)c1 ZINC000007794217 210849723 /nfs/dbraw/zinc/84/97/23/210849723.db2.gz XGKRQTKWCIDVRQ-UHFFFAOYSA-N 0 0 337.375 4.081 50 0 EIAARN Cc1ccc([C@H](NC(=O)COc2ccccc2F)c2ccccc2)cc1 ZINC000007686167 210832794 /nfs/dbraw/zinc/83/27/94/210832794.db2.gz ACHIWSCTGAGMFB-JOCHJYFZSA-N 0 0 349.405 4.419 50 0 EIAARN C[C@@H]1Cc2ccccc2N1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000007587425 210816453 /nfs/dbraw/zinc/81/64/53/210816453.db2.gz DSMZODIEIRITGF-GFCCVEGCSA-N 0 0 325.799 4.341 50 0 EIAARN Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1 ZINC000007580323 210816180 /nfs/dbraw/zinc/81/61/80/210816180.db2.gz NEAVGSRJGJGKTJ-UHFFFAOYSA-N 0 0 340.448 4.290 50 0 EIAARN Cn1cccc1CN(Cc1cccs1)C(=O)CSC1CCCC1 ZINC000096025733 218516529 /nfs/dbraw/zinc/51/65/29/218516529.db2.gz KVCSWFQLWIAAHZ-UHFFFAOYSA-N 0 0 348.537 4.291 50 0 EIAARN COc1cc(Cn2c(-c3nnc(C)o3)cc3ccccc32)cc(OC)c1 ZINC000007451839 210801804 /nfs/dbraw/zinc/80/18/04/210801804.db2.gz CRRPRFHWFPPZNC-UHFFFAOYSA-N 0 0 349.390 4.065 50 0 EIAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1nccs1 ZINC000007104497 210759234 /nfs/dbraw/zinc/75/92/34/210759234.db2.gz ZKSPBZRJKPMCNW-UHFFFAOYSA-N 0 0 333.416 4.404 50 0 EIAARN Cc1occc1-c1nnc(SCC(=O)c2ccc(C)cc2C)o1 ZINC000007194968 210766946 /nfs/dbraw/zinc/76/69/46/210766946.db2.gz WDLQBIFNSDRYQW-UHFFFAOYSA-N 0 0 328.393 4.230 50 0 EIAARN CCc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)sc1C ZINC000007182618 210766071 /nfs/dbraw/zinc/76/60/71/210766071.db2.gz LIICDKQBPGAMLH-UHFFFAOYSA-N 0 0 329.450 4.390 50 0 EIAARN c1csc(-c2noc(CSc3nnc(-c4ccccc4)o3)n2)c1 ZINC000007161285 210764556 /nfs/dbraw/zinc/76/45/56/210764556.db2.gz SZJMQJYLACWRHN-UHFFFAOYSA-N 0 0 342.405 4.140 50 0 EIAARN Cc1ccc(NC(=O)NCCC(C)C)cc1NC(=O)NCCC(C)C ZINC000006936993 210745597 /nfs/dbraw/zinc/74/55/97/210745597.db2.gz CWTIZHMLSJLPSV-UHFFFAOYSA-N 0 0 348.491 4.330 50 0 EIAARN Cc1cc(Cl)nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000006948505 210748499 /nfs/dbraw/zinc/74/84/99/210748499.db2.gz WQWNLBZSHSGEJY-UHFFFAOYSA-N 0 0 331.590 4.389 50 0 EIAARN CCc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2)cc1 ZINC000006820421 210722625 /nfs/dbraw/zinc/72/26/25/210722625.db2.gz JTTZIUKTHFTASB-AWEZNQCLSA-N 0 0 337.448 4.193 50 0 EIAARN O=C1N[C@@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CCC3 ZINC000006814311 210720043 /nfs/dbraw/zinc/72/00/43/210720043.db2.gz QIJAKDSYQTUOAK-CYBMUJFWSA-N 0 0 339.247 4.398 50 0 EIAARN CCOc1ccc(Cl)cc1-c1cc(C(=O)N2CCCC2)ccn1 ZINC000096132133 218617296 /nfs/dbraw/zinc/61/72/96/218617296.db2.gz SOUADEBXPVINTR-UHFFFAOYSA-N 0 0 330.815 4.037 50 0 EIAARN Cc1cc(C)cc(NC(=O)Nc2nnc(N3CCC[C@H](C)C3)s2)c1 ZINC000006768379 210706753 /nfs/dbraw/zinc/70/67/53/210706753.db2.gz YFZSWVYMNSGFEI-NSHDSACASA-N 0 0 345.472 4.035 50 0 EIAARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F ZINC000006746157 210698372 /nfs/dbraw/zinc/69/83/72/210698372.db2.gz LIBLQTOTOWYKFO-AWEZNQCLSA-N 0 0 325.742 4.414 50 0 EIAARN O=C(Nc1nnc(SCc2ccccc2Cl)s1)C1CCC1 ZINC000006706006 210688317 /nfs/dbraw/zinc/68/83/17/210688317.db2.gz GCOXUEMSRZZXIY-UHFFFAOYSA-N 0 0 339.873 4.222 50 0 EIAARN Cc1ccc(NC(=O)Nc2cc3c(c(C)c2)N(C)C(=O)C3(C)C)cc1 ZINC000096182171 218644148 /nfs/dbraw/zinc/64/41/48/218644148.db2.gz JSZAJLWRIQQOTI-UHFFFAOYSA-N 0 0 337.423 4.201 50 0 EIAARN CSCCCNC(=S)Nc1ccc(Nc2ccccc2)cc1 ZINC000006510147 210644527 /nfs/dbraw/zinc/64/45/27/210644527.db2.gz NGNMSMKKAZKHJV-UHFFFAOYSA-N 0 0 331.510 4.470 50 0 EIAARN CCn1c(SCCc2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000006508523 210643156 /nfs/dbraw/zinc/64/31/56/210643156.db2.gz UTNKKUNTNFZEJU-UHFFFAOYSA-N 0 0 344.505 4.430 50 0 EIAARN O=C(COC(=O)c1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc21 ZINC000006476419 210637638 /nfs/dbraw/zinc/63/76/38/210637638.db2.gz XKAZWIGZTFNZSF-UHFFFAOYSA-N 0 0 347.292 4.226 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1F ZINC000006376649 210625743 /nfs/dbraw/zinc/62/57/43/210625743.db2.gz OGJLAAVYIGKZDR-UHFFFAOYSA-N 0 0 325.742 4.414 50 0 EIAARN Cc1ccc(C2=NC(=CNc3ccc(C)c(Cl)c3)C(=O)O2)cc1 ZINC000006300991 210614196 /nfs/dbraw/zinc/61/41/96/210614196.db2.gz KAOOSQNMGAFTTD-YBEGLDIGSA-N 0 0 326.783 4.214 50 0 EIAARN Cc1cs/c(=N\c2ccc(F)cc2)n1C(=O)c1ccc(C)cc1 ZINC000006204391 210600965 /nfs/dbraw/zinc/60/09/65/210600965.db2.gz KHHMMXZJJGJQTK-ZZEZOPTASA-N 0 0 326.396 4.226 50 0 EIAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000006208558 210600701 /nfs/dbraw/zinc/60/07/01/210600701.db2.gz KNVHKXAGXDSJPW-MRXNPFEDSA-N 0 0 338.838 4.479 50 0 EIAARN O=C(OCC1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000005970860 210569983 /nfs/dbraw/zinc/56/99/83/210569983.db2.gz OTPIJBSDGURBON-UHFFFAOYSA-N 0 0 344.455 4.054 50 0 EIAARN CCCCC(=O)N[C@@H](OCc1ccccc1)C(Cl)(Cl)Cl ZINC000005792193 210536970 /nfs/dbraw/zinc/53/69/70/210536970.db2.gz AKDBCPQVXIODDD-ZDUSSCGKSA-N 0 0 338.662 4.206 50 0 EIAARN O=C(NCCc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000005671144 210513028 /nfs/dbraw/zinc/51/30/28/210513028.db2.gz HZUMDHJQIVISAY-UHFFFAOYSA-N 0 0 338.632 4.075 50 0 EIAARN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000005662431 210510812 /nfs/dbraw/zinc/51/08/12/210510812.db2.gz IPTPXVVJLQYJRU-INIZCTEOSA-N 0 0 345.508 4.284 50 0 EIAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000005629053 210504944 /nfs/dbraw/zinc/50/49/44/210504944.db2.gz XLXLNOFEBAZJCT-NSHDSACASA-N 0 0 346.481 4.193 50 0 EIAARN CC(C)NC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000005576523 210493161 /nfs/dbraw/zinc/49/31/61/210493161.db2.gz MHZBOCPSOPXUMK-UHFFFAOYSA-N 0 0 341.798 4.195 50 0 EIAARN COc1ccc(C)c(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000096471001 218849408 /nfs/dbraw/zinc/84/94/08/218849408.db2.gz INQVCCBEEVPGCA-DYVFJYSZSA-N 0 0 346.452 4.059 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000005541012 210485554 /nfs/dbraw/zinc/48/55/54/210485554.db2.gz WAXMXLISKVNLIA-LBPRGKRZSA-N 0 0 346.814 4.013 50 0 EIAARN Cc1nc(CSc2nnc(-c3ccncc3)n2C2CC2)sc1C ZINC000096481627 218857631 /nfs/dbraw/zinc/85/76/31/218857631.db2.gz XDUJNNGQZRMSKJ-UHFFFAOYSA-N 0 0 343.481 4.041 50 0 EIAARN COc1cc(C)c(NC(=O)/C=C\c2ccccc2Cl)cc1OC ZINC000096600634 218885085 /nfs/dbraw/zinc/88/50/85/218885085.db2.gz TTYFTIIQVRYFIB-HJWRWDBZSA-N 0 0 331.799 4.318 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 ZINC000005374131 210451646 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C[C@@H]1CCc2c(C(=O)NCCc3ccc(Cl)cc3)csc2C1 ZINC000005070170 210382834 /nfs/dbraw/zinc/38/28/34/210382834.db2.gz LSNMQFZCCJZERI-GFCCVEGCSA-N 0 0 333.884 4.499 50 0 EIAARN COc1ccc(-c2nn(CN3CCCCC3)c(=S)n2C(C)C)cc1 ZINC000005066501 210381584 /nfs/dbraw/zinc/38/15/84/210381584.db2.gz BRKLUYAEPDPKCX-UHFFFAOYSA-N 0 0 346.500 4.114 50 0 EIAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=S)Nc1cccc(F)c1 ZINC000005033804 210370590 /nfs/dbraw/zinc/37/05/90/210370590.db2.gz LAENOOMPCVPCLP-UHFFFAOYSA-N 0 0 341.455 4.453 50 0 EIAARN O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)C1CC1 ZINC000005035445 210370167 /nfs/dbraw/zinc/37/01/67/210370167.db2.gz IMTNWYBQUQRGLC-UHFFFAOYSA-N 0 0 338.338 4.173 50 0 EIAARN Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)C ZINC000005026670 210367376 /nfs/dbraw/zinc/36/73/76/210367376.db2.gz YOUDQVCTXMDJIH-UHFFFAOYSA-N 0 0 348.446 4.334 50 0 EIAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)cc1 ZINC000005026415 210366520 /nfs/dbraw/zinc/36/65/20/210366520.db2.gz VFPBTMNJLPJZLI-UHFFFAOYSA-N 0 0 348.446 4.334 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)C1 ZINC000005050438 210375623 /nfs/dbraw/zinc/37/56/23/210375623.db2.gz WSAFNTHFNJGKHE-CHWSQXEVSA-N 0 0 327.449 4.426 50 0 EIAARN c1ccc2c(c1)C1c3ccccc3C2(C2OCCO2)c2ccccc21 ZINC000005049070 210374918 /nfs/dbraw/zinc/37/49/18/210374918.db2.gz ORLSOXCBYURDKL-UHFFFAOYSA-N 0 0 326.395 4.201 50 0 EIAARN Cc1ccc(CSCC(=O)NCCSc2ccccc2)cc1 ZINC000005018045 210364175 /nfs/dbraw/zinc/36/41/75/210364175.db2.gz GCKRHSLLXMNOGM-UHFFFAOYSA-N 0 0 331.506 4.137 50 0 EIAARN CC(C)C(=O)N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000005003583 210357662 /nfs/dbraw/zinc/35/76/62/210357662.db2.gz DEGKDJCCWJESHX-NSHDSACASA-N 0 0 345.053 4.187 50 0 EIAARN O=C1C[C@H](c2c(Cl)cccc2Cl)c2cc3c(cc2N1)OCO3 ZINC000004986625 210351857 /nfs/dbraw/zinc/35/18/57/210351857.db2.gz KRSGWOWKIQTHTJ-VIFPVBQESA-N 0 0 336.174 4.196 50 0 EIAARN COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cc(C)oc2C)o1 ZINC000097161852 218977909 /nfs/dbraw/zinc/97/79/09/218977909.db2.gz 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210322790 /nfs/dbraw/zinc/32/27/90/210322790.db2.gz YELKLDIDABTMBB-HXUWFJFHSA-N 0 0 345.402 4.170 50 0 EIAARN CCCN(CCC)C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000007001004 208570031 /nfs/dbraw/zinc/57/00/31/208570031.db2.gz LCESQHFCLIAVPV-UHFFFAOYSA-N 0 0 343.471 4.311 50 0 EIAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c3cccc(O)c3ccc21 ZINC000004913783 210320613 /nfs/dbraw/zinc/32/06/13/210320613.db2.gz VJVVABBCONFBTH-KRWDZBQOSA-N 0 0 333.387 4.418 50 0 EIAARN COC(=O)c1ccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc1 ZINC000004906701 210319427 /nfs/dbraw/zinc/31/94/27/210319427.db2.gz WMHWAZKFZDUMSP-XYOKQWHBSA-N 0 0 347.370 4.117 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1ccccc1 ZINC000004904859 210319008 /nfs/dbraw/zinc/31/90/08/210319008.db2.gz CVEDONPUTLNTRL-UHFFFAOYSA-N 0 0 327.428 4.145 50 0 EIAARN COc1ccc([C@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004903828 210317597 /nfs/dbraw/zinc/31/75/97/210317597.db2.gz IBSGQZGWUCTPMN-HILYYZTDSA-N 0 0 327.468 4.479 50 0 EIAARN CC(C)CN(CC(C)C)C(=O)CCC(=O)N(CC(C)C)CC(C)C ZINC000004894104 210314047 /nfs/dbraw/zinc/31/40/47/210314047.db2.gz VFFOWNMEDXOXLZ-UHFFFAOYSA-N 0 0 340.552 4.048 50 0 EIAARN c1sc(N2CCOCC2)nc1-c1ccc2c(c1)-c1ccccc1C2 ZINC000007062676 208580621 /nfs/dbraw/zinc/58/06/21/208580621.db2.gz QLJULBYIMWBDLX-UHFFFAOYSA-N 0 0 334.444 4.218 50 0 EIAARN Cc1noc(C)c1CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000004890096 210312867 /nfs/dbraw/zinc/31/28/67/210312867.db2.gz ASALNKLUHYDFOV-UHFFFAOYSA-N 0 0 326.425 4.042 50 0 EIAARN O=C(COc1ccc(Br)cc1)c1c[nH]c2ccccc21 ZINC000004857266 210303667 /nfs/dbraw/zinc/30/36/67/210303667.db2.gz BJFKSFYGJPDTJV-UHFFFAOYSA-N 0 0 330.181 4.192 50 0 EIAARN O=C(/C=C\c1nc2ccccc2o1)N1CCCC[C@H]1Cc1ccccc1 ZINC000097288921 219009245 /nfs/dbraw/zinc/00/92/45/219009245.db2.gz IUDBSYJHUBPWAA-HWOXTHGCSA-N 0 0 346.430 4.465 50 0 EIAARN Cc1cccc(Cn2ccc(NC(=O)c3ccccc3Cl)n2)c1 ZINC000004850875 210299201 /nfs/dbraw/zinc/29/92/01/210299201.db2.gz FAXSZYYAXMDOCH-UHFFFAOYSA-N 0 0 325.799 4.146 50 0 EIAARN Cc1cccc(-n2c(/C=C/c3cccnc3)nc3ccccc3c2=O)c1 ZINC000004859630 210304901 /nfs/dbraw/zinc/30/49/01/210304901.db2.gz UDXOKVRGXFJGFJ-VAWYXSNFSA-N 0 0 339.398 4.260 50 0 EIAARN COc1ccc(NC(=O)N[C@@H](CC(C)C)c2cccnc2)c(F)c1 ZINC000097436914 219024862 /nfs/dbraw/zinc/02/48/62/219024862.db2.gz KEJYCICNYORPOW-KRWDZBQOSA-N 0 0 331.391 4.138 50 0 EIAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(F)c1 ZINC000004841144 210294470 /nfs/dbraw/zinc/29/44/70/210294470.db2.gz OLDHRDNYKBABSL-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccccc1O ZINC000004826885 210289700 /nfs/dbraw/zinc/28/97/00/210289700.db2.gz CFTJLRDPTUFLDV-CCEZHUSRSA-N 0 0 340.382 4.262 50 0 EIAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1Cl ZINC000004814288 210284258 /nfs/dbraw/zinc/28/42/58/210284258.db2.gz ZPWKWBZXMFPGOF-UHFFFAOYSA-N 0 0 330.815 4.121 50 0 EIAARN COc1ccc(NC(=O)c2ccco2)c(NC(=O)C2CCCCC2)c1 ZINC000004807017 210282132 /nfs/dbraw/zinc/28/21/32/210282132.db2.gz JTTXRPNECXGBRS-UHFFFAOYSA-N 0 0 342.395 4.059 50 0 EIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000004803577 210280533 /nfs/dbraw/zinc/28/05/33/210280533.db2.gz QKKKGFUGQNAMOJ-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN O=C(OCCOc1ccccc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000097496415 219030269 /nfs/dbraw/zinc/03/02/69/219030269.db2.gz WPHDVBLOLCBWEU-NWDGAFQWSA-N 0 0 334.309 4.116 50 0 EIAARN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)OCC2 ZINC000004788741 210278344 /nfs/dbraw/zinc/27/83/44/210278344.db2.gz YRVUMXDFQMCLIE-KRWDZBQOSA-N 0 0 349.224 4.128 50 0 EIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)C1CCCC1 ZINC000004783431 210276855 /nfs/dbraw/zinc/27/68/55/210276855.db2.gz LJPARTXWZLDCFR-HUUCEWRRSA-N 0 0 328.456 4.218 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3csc(C)c3)n2)cc1 ZINC000004777413 210276787 /nfs/dbraw/zinc/27/67/87/210276787.db2.gz SIVFTSUZCWSRPW-UHFFFAOYSA-N 0 0 330.434 4.441 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)s1 ZINC000004750180 210269862 /nfs/dbraw/zinc/26/98/62/210269862.db2.gz DZEZYWHJXDMNDQ-UHFFFAOYSA-N 0 0 348.855 4.280 50 0 EIAARN Cc1cc(NC(=S)N2CCCCCC2)ccc1Br ZINC000000072980 209402256 /nfs/dbraw/zinc/40/22/56/209402256.db2.gz HNOPYKKQBOOSDW-UHFFFAOYSA-N 0 0 327.291 4.330 50 0 EIAARN CSC[C@H]1CCCN(C(=O)c2cc(C)nc3ccc(C)cc32)C1 ZINC000097602596 219040075 /nfs/dbraw/zinc/04/00/75/219040075.db2.gz CURKEVJNMWONQH-HNNXBMFYSA-N 0 0 328.481 4.067 50 0 EIAARN CCN(C(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]1CCOC(C)(C)C1 ZINC000097574884 219036772 /nfs/dbraw/zinc/03/67/72/219036772.db2.gz UHAONQQLTYUBGO-CYBMUJFWSA-N 0 0 340.851 4.160 50 0 EIAARN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H](C)Oc1ccccc1)CCC2 ZINC000119220440 221269952 /nfs/dbraw/zinc/26/99/52/221269952.db2.gz BLFVSOJESGSMGB-XJKSGUPXSA-N 0 0 344.480 4.009 50 0 EIAARN COc1cc([C@@H](C)NC(=O)c2ccoc2)ccc1OC1CCCC1 ZINC000040121429 257854269 /nfs/dbraw/zinc/85/42/69/257854269.db2.gz XJZCIWJSBXJQRU-CYBMUJFWSA-N 0 0 329.396 4.101 50 0 EIAARN O=C(c1cccc(C(F)F)c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000171551570 257955494 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ZINC000000452321 563321417 /nfs/dbraw/zinc/32/14/17/563321417.db2.gz LMRRSOWTHVBKMN-UHFFFAOYSA-N 0 0 341.461 4.040 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000000455248 563323613 /nfs/dbraw/zinc/32/36/13/563323613.db2.gz DSGRUGOTXQRICP-UHFFFAOYSA-N 0 0 340.206 4.328 50 0 EIAARN CCC(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000000456260 563323983 /nfs/dbraw/zinc/32/39/83/563323983.db2.gz KAUICCCVAZMXMO-UHFFFAOYSA-N 0 0 341.461 4.186 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccco3)c2)cc1 ZINC000000461513 563326747 /nfs/dbraw/zinc/32/67/47/563326747.db2.gz JGTJAZUROGOTSZ-VAWYXSNFSA-N 0 0 346.386 4.492 50 0 EIAARN COc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3C)cc2c1 ZINC000000469403 563330210 /nfs/dbraw/zinc/33/02/10/563330210.db2.gz QFYMNJFLRYIYCZ-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl ZINC000000472819 563332602 /nfs/dbraw/zinc/33/26/02/563332602.db2.gz NFAPLPULRBSOEO-VAWYXSNFSA-N 0 0 342.826 4.130 50 0 EIAARN CC[C@H](C)NC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000000480379 563336013 /nfs/dbraw/zinc/33/60/13/563336013.db2.gz SUBHKUZTUIHMJA-BBRMVZONSA-N 0 0 331.843 4.482 50 0 EIAARN CNc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000000482299 563336746 /nfs/dbraw/zinc/33/67/46/563336746.db2.gz ICXBBYCDPXIAGD-UHFFFAOYSA-N 0 0 338.190 4.075 50 0 EIAARN COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@@H]1CC=CC[C@@H]12 ZINC000000481833 563336760 /nfs/dbraw/zinc/33/67/60/563336760.db2.gz CHFLANURWLKBDG-ZTCHHREXSA-N 0 0 344.065 4.230 50 0 EIAARN CC(=O)c1ccc(OC(=O)c2cc(Cl)nc3ccccc32)cc1 ZINC000000482342 563336774 /nfs/dbraw/zinc/33/67/74/563336774.db2.gz KPOSVZOAXIRBFS-UHFFFAOYSA-N 0 0 325.751 4.310 50 0 EIAARN O=C([C@H]1COc2ccccc2O1)N(c1ccccc1)c1ccccc1 ZINC000000507370 563339327 /nfs/dbraw/zinc/33/93/27/563339327.db2.gz JETAYAQTYKCPDR-HXUWFJFHSA-N 0 0 331.371 4.191 50 0 EIAARN Cc1ccc(-c2nn3c(nnc3-c3ccc(Cl)cc3)s2)cc1 ZINC000000520741 563340377 /nfs/dbraw/zinc/34/03/77/563340377.db2.gz VAPVTEPLQCUTMO-UHFFFAOYSA-N 0 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CCCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCC2 ZINC000002081570 563421951 /nfs/dbraw/zinc/42/19/51/563421951.db2.gz VJOIRITXMNYBSO-UHFFFAOYSA-N 0 0 347.436 4.347 50 0 EIAARN COc1ccccc1-c1nnc2sc(-c3cc4ccccc4o3)nn21 ZINC000002232349 563427350 /nfs/dbraw/zinc/42/73/50/563427350.db2.gz MRMNPBZNWGJQEN-UHFFFAOYSA-N 0 0 348.387 4.275 50 0 EIAARN COc1ccc(CSc2nnc(-c3cccc(C)c3)n2C)cc1 ZINC000002352971 563430059 /nfs/dbraw/zinc/43/00/59/563430059.db2.gz KGCQPBYRKFZFCE-UHFFFAOYSA-N 0 0 325.437 4.091 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2)cc1 ZINC000002451623 563432670 /nfs/dbraw/zinc/43/26/70/563432670.db2.gz MPZXABXCPHOVJY-UHFFFAOYSA-N 0 0 344.414 4.429 50 0 EIAARN O=C(NCCCCc1ccccc1)c1cccc(Br)c1 ZINC000002493709 563434228 /nfs/dbraw/zinc/43/42/28/563434228.db2.gz CMRFUBZKCBYNRV-UHFFFAOYSA-N 0 0 332.241 4.202 50 0 EIAARN CSc1nsc(SCSc2nc3ccccc3o2)n1 ZINC000002505925 563434887 /nfs/dbraw/zinc/43/48/87/563434887.db2.gz UIAITCNHBPGRCS-UHFFFAOYSA-N 0 0 327.481 4.243 50 0 EIAARN Cc1cc(C)cc(C(=O)c2cccc(CN3CCSCC3)c2)c1 ZINC000002515293 563436447 /nfs/dbraw/zinc/43/64/47/563436447.db2.gz NNTYUYOBXZIRIL-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN CCOC(=O)c1cccc(C(=O)CCc2ccc(SC)cc2)c1 ZINC000002516652 563437276 /nfs/dbraw/zinc/43/72/76/563437276.db2.gz JAEAMUFMKGHQCR-UHFFFAOYSA-N 0 0 328.433 4.401 50 0 EIAARN CC1(C)COC(CCCC(=O)c2cc(F)c(Cl)cc2F)OC1 ZINC000002518175 563438353 /nfs/dbraw/zinc/43/83/53/563438353.db2.gz MCOKSVIFWFHANM-UHFFFAOYSA-N 0 0 332.774 4.370 50 0 EIAARN Cc1ccccc1-n1cc(CO)c(-c2ccc(Br)cc2)n1 ZINC000002544751 563440288 /nfs/dbraw/zinc/44/02/88/563440288.db2.gz QMVKLYJALOCVCS-UHFFFAOYSA-N 0 0 343.224 4.103 50 0 EIAARN FC(F)(F)c1cnc(Oc2ncn(-c3ccccc3)n2)c(Cl)c1 ZINC000002558776 563441193 /nfs/dbraw/zinc/44/11/93/563441193.db2.gz LTXJRXUACXOFNG-UHFFFAOYSA-N 0 0 340.692 4.127 50 0 EIAARN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000002561875 563441592 /nfs/dbraw/zinc/44/15/92/563441592.db2.gz HPACZNSFSPHFAV-UHFFFAOYSA-N 0 0 343.492 4.434 50 0 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EIAARN O=C(NCCOc1ccccc1Cl)c1cccc2ccccc21 ZINC000002870279 563458717 /nfs/dbraw/zinc/45/87/17/563458717.db2.gz BPQZSBZUZUIFHX-UHFFFAOYSA-N 0 0 325.795 4.302 50 0 EIAARN COc1cc(OC)c(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1Cl ZINC000002881265 563460653 /nfs/dbraw/zinc/46/06/53/563460653.db2.gz UIZSUDLUEMOWSX-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN COc1cc(NC(=O)[C@H](C)Oc2cccc(C)c2)c(OC)cc1Cl ZINC000002881205 563460661 /nfs/dbraw/zinc/46/06/61/563460661.db2.gz DKMGGPAEKYVIHK-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F ZINC000002970318 563465070 /nfs/dbraw/zinc/46/50/70/563465070.db2.gz WNQNXXXZLBBJGU-UHFFFAOYSA-N 0 0 329.705 4.420 50 0 EIAARN C/C=C/c1ccc(OCCOc2cc(C=O)ccc2OC)c(OC)c1 ZINC000002983889 563466288 /nfs/dbraw/zinc/46/62/88/563466288.db2.gz XLPBKHVUZAVGFN-SNAWJCMRSA-N 0 0 342.391 4.007 50 0 EIAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1 ZINC000002985838 563467098 /nfs/dbraw/zinc/46/70/98/563467098.db2.gz GPDDEVFZGUMLDJ-UHFFFAOYSA-N 0 0 342.464 4.219 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EIAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)OC1CCCC1 ZINC000071892821 563472106 /nfs/dbraw/zinc/47/21/06/563472106.db2.gz JEGPEASGRWPONS-UHFFFAOYSA-N 0 0 335.407 4.218 50 0 EIAARN CC(C)(C)SCCNC(=O)c1cccnc1Oc1ccccc1 ZINC000003170824 563475125 /nfs/dbraw/zinc/47/51/25/563475125.db2.gz XGGDHWLIFRJDNU-UHFFFAOYSA-N 0 0 330.453 4.135 50 0 EIAARN OCCCNC(=[NH+]c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000003201314 563476391 /nfs/dbraw/zinc/47/63/91/563476391.db2.gz JFAUGXCLAYKTPO-UHFFFAOYSA-N 0 0 344.458 4.488 50 0 EIAARN CCc1[nH]nc(-c2ccc(F)c(F)c2)c1NC(=O)C1CCCCC1 ZINC000034795666 563480331 /nfs/dbraw/zinc/48/03/31/563480331.db2.gz BVBBHDALZACGHW-UHFFFAOYSA-N 0 0 333.382 4.436 50 0 EIAARN CC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908097 563482020 /nfs/dbraw/zinc/48/20/20/563482020.db2.gz QCRCDHPZVOPOBL-KRWDZBQOSA-N 0 0 342.345 4.456 50 0 EIAARN Cc1ccc(NC(=O)c2cn3c(n2)CC[C@@H](c2ccccc2C)C3)cc1 ZINC000034898581 563483294 /nfs/dbraw/zinc/48/32/94/563483294.db2.gz AVRLIQLFQJHDQW-QGZVFWFLSA-N 0 0 345.446 4.482 50 0 EIAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCc2[nH]c3ccccc3c2C1 ZINC000034928420 563484549 /nfs/dbraw/zinc/48/45/49/563484549.db2.gz BFYLDAMMAPHZCS-UHFFFAOYSA-N 0 0 349.478 4.204 50 0 EIAARN COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCCCC2)n1 ZINC000003894518 563490571 /nfs/dbraw/zinc/49/05/71/563490571.db2.gz OMZJSRWQXMFMNE-UHFFFAOYSA-N 0 0 337.345 4.161 50 0 EIAARN O=C(CC[C@H]1CCCO1)Nc1cccc(C2SCCCS2)c1 ZINC000046165719 563515380 /nfs/dbraw/zinc/51/53/80/563515380.db2.gz MSGIAQFQZIDQIY-OAHLLOKOSA-N 0 0 337.510 4.453 50 0 EIAARN CCC(=O)N1c2ccc(C)cc2[C@H](OC(=O)c2ccccc2)C[C@@H]1C ZINC000004992861 563517795 /nfs/dbraw/zinc/51/77/95/563517795.db2.gz FMYJZUSFKVVZIP-HNAYVOBHSA-N 0 0 337.419 4.428 50 0 EIAARN Cc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1 ZINC000005396787 563531230 /nfs/dbraw/zinc/53/12/30/563531230.db2.gz LKAMBAFQFRRNKU-UHFFFAOYSA-N 0 0 328.774 4.060 50 0 EIAARN Nc1nc(Nc2ccc(Oc3ccccc3)cc2)nc(C(F)(F)F)n1 ZINC000005427648 563532357 /nfs/dbraw/zinc/53/23/57/563532357.db2.gz DRHHEYZYTXGBCM-UHFFFAOYSA-N 0 0 347.300 4.009 50 0 EIAARN Cc1cc(N=NC(CCc2ccccc2)c2ccccc2O)nc(C)n1 ZINC000254822169 563535004 /nfs/dbraw/zinc/53/50/04/563535004.db2.gz GJFGIDYUSMOCHG-UHFFFAOYSA-N 0 0 346.434 4.248 50 0 EIAARN Clc1ccccc1C1=Nn2c(nnc2C2CCCCC2)SC1 ZINC000005519803 563536582 /nfs/dbraw/zinc/53/65/82/563536582.db2.gz DZWBEKHCHBEYBF-UHFFFAOYSA-N 0 0 332.860 4.337 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC000005672975 563544829 /nfs/dbraw/zinc/54/48/29/563544829.db2.gz XLPWNTBBCDMYQV-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN C[C@H]1[C@@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000005677603 563545060 /nfs/dbraw/zinc/54/50/60/563545060.db2.gz OKEDHTSICXDDKB-QVXRUGPVSA-N 0 0 348.398 4.437 50 0 EIAARN Cc1ccc2nsnc2c1NC(=O)c1ccccc1Br ZINC000005710651 563546673 /nfs/dbraw/zinc/54/66/73/563546673.db2.gz PPBPOOXUYBBAQA-UHFFFAOYSA-N 0 0 348.225 4.015 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3c(C)cccc3C)nc2c1 ZINC000005818410 563551500 /nfs/dbraw/zinc/55/15/00/563551500.db2.gz ROEHFVGLNXWUFW-UHFFFAOYSA-N 0 0 325.437 4.219 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000006214957 563561151 /nfs/dbraw/zinc/56/11/51/563561151.db2.gz RYZHATWDNXODDE-UHFFFAOYSA-N 0 0 344.414 4.493 50 0 EIAARN CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C)cc(OCC)c1OCC ZINC000006328725 563565147 /nfs/dbraw/zinc/56/51/47/563565147.db2.gz TVOLYDLSHNAQBN-ZBFHGGJFSA-N 0 0 349.471 4.191 50 0 EIAARN C[C@@H]1CCCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 ZINC000042485052 563565984 /nfs/dbraw/zinc/56/59/84/563565984.db2.gz QXHBJDWLAWFQCG-QGZVFWFLSA-N 0 0 347.462 4.217 50 0 EIAARN CCCCOc1ccc(Cl)cc1CSc1n[nH]c(CC)n1 ZINC000006359695 563566028 /nfs/dbraw/zinc/56/60/28/563566028.db2.gz ODTYDIYHAGKZMI-UHFFFAOYSA-N 0 0 325.865 4.492 50 0 EIAARN O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccn1 ZINC000006392809 563567041 /nfs/dbraw/zinc/56/70/41/563567041.db2.gz MKDICXLDFPOXNL-UHFFFAOYSA-N 0 0 334.444 4.407 50 0 EIAARN CCc1cc(=O)oc2cc(OC(=O)c3ccccc3)c(Cl)cc12 ZINC000006398271 563567254 /nfs/dbraw/zinc/56/72/54/563567254.db2.gz NUBPYYZATSYVEP-UHFFFAOYSA-N 0 0 328.751 4.228 50 0 EIAARN Nc1ccccc1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000006399213 563567293 /nfs/dbraw/zinc/56/72/93/563567293.db2.gz VBJNJWKHKKQWMP-UHFFFAOYSA-N 0 0 348.471 4.267 50 0 EIAARN Cc1c(C)n(-c2cccnc2)c2ncnc(NCc3ccccc3)c12 ZINC000006669522 563577490 /nfs/dbraw/zinc/57/74/90/563577490.db2.gz IMOKXUWRWNWSAY-UHFFFAOYSA-N 0 0 329.407 4.044 50 0 EIAARN COC(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000006701670 563580121 /nfs/dbraw/zinc/58/01/21/563580121.db2.gz WKYVLNFLVCHAAX-UHFFFAOYSA-N 0 0 348.280 4.209 50 0 EIAARN Cc1ccccc1-c1noc(CNC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000006702350 563580495 /nfs/dbraw/zinc/58/04/95/563580495.db2.gz GVZRQSOLEAMQJK-UHFFFAOYSA-N 0 0 349.434 4.273 50 0 EIAARN CCOc1ccccc1-c1nc(-c2cc(Cl)ccc2OC)no1 ZINC000006702671 563580831 /nfs/dbraw/zinc/58/08/31/563580831.db2.gz QQZVNAKJUNXAQR-UHFFFAOYSA-N 0 0 330.771 4.464 50 0 EIAARN O=C(Nc1ccccc1Br)c1ccc(F)cc1Cl ZINC000006729043 563583518 /nfs/dbraw/zinc/58/35/18/563583518.db2.gz MMZOGGNXZCUPTP-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN c1csc(-c2nn3c(CSc4ccccc4)nnc3s2)c1 ZINC000006747314 563584880 /nfs/dbraw/zinc/58/48/80/563584880.db2.gz UFHUZBVGVAGCLV-UHFFFAOYSA-N 0 0 330.463 4.207 50 0 EIAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1nonc1-c1cccs1 ZINC000006756408 563585309 /nfs/dbraw/zinc/58/53/09/563585309.db2.gz SXTFZKRYGAGGNS-UHFFFAOYSA-N 0 0 339.376 4.413 50 0 EIAARN O=c1[nH]c2ccc(NCc3ccc(-c4cccc(Cl)c4)o3)cc2[nH]1 ZINC000006767751 563585994 /nfs/dbraw/zinc/58/59/94/563585994.db2.gz ZPOCNXYHYJFMCM-UHFFFAOYSA-N 0 0 339.782 4.382 50 0 aggregator EIAARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)c1ccc2ccccc2n1 ZINC000071911309 563586088 /nfs/dbraw/zinc/58/60/88/563586088.db2.gz VULCQLOSSQNVCZ-UHFFFAOYSA-N 0 0 343.386 4.475 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)COCc1cc(-c2ccco2)on1 ZINC000006876678 563590106 /nfs/dbraw/zinc/59/01/06/563590106.db2.gz SZHYPQBJTCIBOX-UHFFFAOYSA-N 0 0 346.770 4.052 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1C ZINC000007053202 563594362 /nfs/dbraw/zinc/59/43/62/563594362.db2.gz FWQAWLRAVWFYDF-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN Cc1ccccc1C1CC(Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000097371335 563596080 /nfs/dbraw/zinc/59/60/80/563596080.db2.gz CUIKQEXVZPRSBN-UHFFFAOYSA-N 0 0 340.442 4.329 50 0 EIAARN CCCCOc1ccc(Cn2c3ccccc3sc2=O)cc1OC ZINC000002700360 563602143 /nfs/dbraw/zinc/60/21/43/563602143.db2.gz GEEHLPRUBVMJGB-UHFFFAOYSA-N 0 0 343.448 4.299 50 0 EIAARN Cc1ccccc1NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 ZINC000002794712 563616253 /nfs/dbraw/zinc/61/62/53/563616253.db2.gz ANEONEBHEZRYDD-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000007910902 563617224 /nfs/dbraw/zinc/61/72/24/563617224.db2.gz QIPPFVUMISSFKU-UHFFFAOYSA-N 0 0 336.391 4.377 50 0 EIAARN Clc1ccc(OCCCc2nc(-c3ccncc3)n[nH]2)c(Cl)c1 ZINC000007986358 563618630 /nfs/dbraw/zinc/61/86/30/563618630.db2.gz GPNQRJJNKMXRCX-UHFFFAOYSA-N 0 0 349.221 4.185 50 0 EIAARN O=C(Nc1cccc2c1CCCC2)c1cccnc1N1CCCCC1 ZINC000071918815 563622827 /nfs/dbraw/zinc/62/28/27/563622827.db2.gz RGAAVXWFANPFKZ-UHFFFAOYSA-N 0 0 335.451 4.203 50 0 EIAARN O=C(NCc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1 ZINC000008306567 563625904 /nfs/dbraw/zinc/62/59/04/563625904.db2.gz UFOFGJDVUYKUSM-UHFFFAOYSA-N 0 0 342.483 4.402 50 0 EIAARN Cc1cccc(-n2nc3c(c2NC(=O)CC(C)C)CSC3)c1C ZINC000003008298 563625908 /nfs/dbraw/zinc/62/59/08/563625908.db2.gz GBFTWCMOUOSIAW-UHFFFAOYSA-N 0 0 329.469 4.221 50 0 EIAARN COCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000008723080 563637654 /nfs/dbraw/zinc/63/76/54/563637654.db2.gz IZACQRILSHVPEP-UHFFFAOYSA-N 0 0 340.206 4.271 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2ccccc2)cc1Br ZINC000008723052 563637703 /nfs/dbraw/zinc/63/77/03/563637703.db2.gz BSPNLGZSVLYBHF-UHFFFAOYSA-N 0 0 334.213 4.489 50 0 EIAARN COc1ccccc1-c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000032580462 563661923 /nfs/dbraw/zinc/66/19/23/563661923.db2.gz FFXRETIJYXPPNL-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN CCOc1ccccc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000012655447 563667040 /nfs/dbraw/zinc/66/70/40/563667040.db2.gz RTWQRCMBJBDIHU-UHFFFAOYSA-N 0 0 341.436 4.001 50 0 EIAARN Cc1nc(N2CCCCC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 ZINC000012653579 563667179 /nfs/dbraw/zinc/66/71/79/563667179.db2.gz VOOKKNLXLXLNCU-ZGKFYVQTSA-N 0 0 347.462 4.234 50 0 EIAARN Cc1ccc(Cn2nccc2NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000012788821 563671245 /nfs/dbraw/zinc/67/12/45/563671245.db2.gz QVEHCZPKQXZVLJ-UHFFFAOYSA-N 0 0 339.826 4.074 50 0 EIAARN C[C@@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012797357 563673040 /nfs/dbraw/zinc/67/30/40/563673040.db2.gz BSDOLIFWSADWTP-CYBMUJFWSA-N 0 0 343.398 4.307 50 0 EIAARN Cc1cc(C)cc(-c2nnc(SCc3nc(CC(C)C)no3)o2)c1 ZINC000012800974 563673716 /nfs/dbraw/zinc/67/37/16/563673716.db2.gz SDHJSWRECFFCCM-UHFFFAOYSA-N 0 0 344.440 4.227 50 0 EIAARN Fc1ccccc1CSc1nnc2ccc(-c3cccs3)nn21 ZINC000004376847 563675140 /nfs/dbraw/zinc/67/51/40/563675140.db2.gz ZKXYMJKAMJLQCJ-UHFFFAOYSA-N 0 0 342.424 4.284 50 0 EIAARN Cc1ccc(CNC(=O)c2ccc(COc3cc(C)ccc3C)o2)o1 ZINC000032647887 563675574 /nfs/dbraw/zinc/67/55/74/563675574.db2.gz ACJZUZSHTIGFNC-UHFFFAOYSA-N 0 0 339.391 4.307 50 0 EIAARN CCc1sc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1C ZINC000032667808 563678496 /nfs/dbraw/zinc/67/84/96/563678496.db2.gz KJDYWAGRQFMPMV-HNNXBMFYSA-N 0 0 346.496 4.169 50 0 EIAARN Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3ccccc3Cl)cc12 ZINC000012972345 563679572 /nfs/dbraw/zinc/67/95/72/563679572.db2.gz NJQYLBXCAMPNRT-VIFPVBQESA-N 0 0 333.844 4.088 50 0 EIAARN O=C(Nc1cccc2ncccc21)c1cccc(OC[C@H]2CCCO2)c1 ZINC000012973169 563679811 /nfs/dbraw/zinc/67/98/11/563679811.db2.gz PGGYACUHMUAOAI-QGZVFWFLSA-N 0 0 348.402 4.045 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccccc1C ZINC000012985456 563681947 /nfs/dbraw/zinc/68/19/47/563681947.db2.gz LBYJZIJURJAAAC-ZDUSSCGKSA-N 0 0 337.448 4.313 50 0 EIAARN O=C(c1cc(F)cc(F)c1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012995473 563683323 /nfs/dbraw/zinc/68/33/23/563683323.db2.gz YALHRYGQGMXKLG-UHFFFAOYSA-N 0 0 345.389 4.155 50 0 EIAARN CN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc2ccccc2s1 ZINC000012997963 563683765 /nfs/dbraw/zinc/68/37/65/563683765.db2.gz DZLPXYDVMBLHGX-UHFFFAOYSA-N 0 0 345.855 4.020 50 0 EIAARN CCCCc1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000013002905 563684712 /nfs/dbraw/zinc/68/47/12/563684712.db2.gz YUODTRJQGVTRJY-UHFFFAOYSA-N 0 0 333.435 4.396 50 0 EIAARN CC(C)c1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1 ZINC000032691409 563685560 /nfs/dbraw/zinc/68/55/60/563685560.db2.gz NMIKFQZAVLXNEF-IBGZPJMESA-N 0 0 339.435 4.197 50 0 EIAARN CCOc1ccc([C@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)cc1 ZINC000013132341 563690617 /nfs/dbraw/zinc/69/06/17/563690617.db2.gz OKCWYSCYQJCNJK-MOPGFXCFSA-N 0 0 334.423 4.132 50 0 EIAARN Cc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)s1 ZINC000013325732 563694963 /nfs/dbraw/zinc/69/49/63/563694963.db2.gz YBNYPRJZQNPWNA-UHFFFAOYSA-N 0 0 332.169 4.350 50 0 EIAARN Cc1cnc(NC(=O)c2cc(Br)ccc2Cl)s1 ZINC000013326356 563695272 /nfs/dbraw/zinc/69/52/72/563695272.db2.gz HZUWCQUSMKLSLW-UHFFFAOYSA-N 0 0 331.622 4.120 50 0 EIAARN CCCC[C@H](CC)c1nnc(NC(=O)c2c(C)onc2CC)s1 ZINC000013330709 563696393 /nfs/dbraw/zinc/69/63/93/563696393.db2.gz HBAQKGGOBCBQDL-NSHDSACASA-N 0 0 336.461 4.333 50 0 EIAARN O=C(Nc1nnc(-c2ccncc2)s1)c1ccc2ccccc2c1 ZINC000013331276 563696430 /nfs/dbraw/zinc/69/64/30/563696430.db2.gz DWLPYLFQOZXXJO-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN C[C@@H](CCc1ccco1)NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000032716953 563698395 /nfs/dbraw/zinc/69/83/95/563698395.db2.gz HTPYVQYCVLYUIH-ZDUSSCGKSA-N 0 0 333.815 4.033 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2F)s1)c1ccccc1Cl ZINC000013549928 563701010 /nfs/dbraw/zinc/70/10/10/563701010.db2.gz IZMTXADYJPOVNS-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN CCSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000013625373 563704317 /nfs/dbraw/zinc/70/43/17/563704317.db2.gz BCTJTTBJVFEZNF-UHFFFAOYSA-N 0 0 328.224 4.148 50 0 EIAARN Cc1nn2c(nc(C)cc2N(C)C)c1-c1ccc(Cl)cc1Cl ZINC000013628328 563704708 /nfs/dbraw/zinc/70/47/08/563704708.db2.gz KBPLFMJFBQUHDH-UHFFFAOYSA-N 0 0 335.238 4.386 50 0 EIAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccsc2)cc1 ZINC000013655430 563707529 /nfs/dbraw/zinc/70/75/29/563707529.db2.gz UITQVAQHNBKARZ-HNNXBMFYSA-N 0 0 339.420 4.374 50 0 EIAARN Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)C)c1 ZINC000013713440 563715319 /nfs/dbraw/zinc/71/53/19/563715319.db2.gz AVJCNSJIGDKYLY-UHFFFAOYSA-N 0 0 348.446 4.334 50 0 EIAARN Fc1ccccc1-c1nn2c(nnc2-c2ccc3ccccc3n2)s1 ZINC000013732689 563719990 /nfs/dbraw/zinc/71/99/90/563719990.db2.gz WILNAFBAKDNQHD-UHFFFAOYSA-N 0 0 347.378 4.207 50 0 EIAARN O=C(NCCSCc1ccco1)c1csc(-c2ccccc2)n1 ZINC000032740713 563721529 /nfs/dbraw/zinc/72/15/29/563721529.db2.gz GKPADONRXBHUFE-UHFFFAOYSA-N 0 0 344.461 4.066 50 0 EIAARN CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1 ZINC000013758894 563721617 /nfs/dbraw/zinc/72/16/17/563721617.db2.gz OPIHQACYMWQSGA-UHFFFAOYSA-N 0 0 348.446 4.279 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000032755166 563728097 /nfs/dbraw/zinc/72/80/97/563728097.db2.gz CBNMUDMDZCGMPE-UHFFFAOYSA-N 0 0 343.224 4.203 50 0 EIAARN CC(=O)c1ccc(C(=O)OCc2cc(-c3cccs3)on2)s1 ZINC000032776846 563728348 /nfs/dbraw/zinc/72/83/48/563728348.db2.gz QUOSWNGCKAIOKE-UHFFFAOYSA-N 0 0 333.390 4.024 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032777639 563729201 /nfs/dbraw/zinc/72/92/01/563729201.db2.gz QLLGRFSREQQRPP-ZTFGCOKTSA-N 0 0 334.891 4.172 50 0 EIAARN CC(=O)Nc1ccc(OC(=O)c2cc3c(ccc4ccccc34)[nH]2)cc1 ZINC000032767061 563729592 /nfs/dbraw/zinc/72/95/92/563729592.db2.gz FORIGVLOSCQTNF-UHFFFAOYSA-N 0 0 344.370 4.499 50 0 EIAARN C[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000013933142 563731026 /nfs/dbraw/zinc/73/10/26/563731026.db2.gz HBFVCODTJICFKN-SNVBAGLBSA-N 0 0 325.359 4.148 50 0 EIAARN Cc1ccc(OCCN(C)C(=O)c2cc3ccc(F)cc3s2)cc1 ZINC000032788884 563733856 /nfs/dbraw/zinc/73/38/56/563733856.db2.gz XAFITCUZPAQAHI-UHFFFAOYSA-N 0 0 343.423 4.500 50 0 EIAARN O=C(CCSCCOc1ccccc1Cl)Nc1ccccc1 ZINC000032778669 563734306 /nfs/dbraw/zinc/73/43/06/563734306.db2.gz DSWLXGJMTSDVAX-UHFFFAOYSA-N 0 0 335.856 4.481 50 0 EIAARN CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000032802922 563739273 /nfs/dbraw/zinc/73/92/73/563739273.db2.gz CRKRTCGKYSQMRO-JSGCOSHPSA-N 0 0 332.341 4.088 50 0 EIAARN Cc1ccc(C(=O)N(C)c2ccccc2)cc1NC(=O)c1ccco1 ZINC000014111803 563741622 /nfs/dbraw/zinc/74/16/22/563741622.db2.gz LZPJGPLZRHYJOA-UHFFFAOYSA-N 0 0 334.375 4.117 50 0 EIAARN Cc1cc(COC(=O)c2ccccc2OCc2ccc(F)cc2)no1 ZINC000014112787 563741680 /nfs/dbraw/zinc/74/16/80/563741680.db2.gz JXZVELYEODHNEP-UHFFFAOYSA-N 0 0 341.338 4.058 50 0 EIAARN Cc1ccc(SCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000014115477 563742039 /nfs/dbraw/zinc/74/20/39/563742039.db2.gz CFMNRKAEAUEZRG-UHFFFAOYSA-N 0 0 339.416 4.141 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000014116848 563742485 /nfs/dbraw/zinc/74/24/85/563742485.db2.gz QKLATHKCYJZFPM-UHFFFAOYSA-N 0 0 348.402 4.113 50 0 EIAARN O=C(Nc1cccc(Oc2cccnn2)c1)c1cncc2ccccc21 ZINC000359331617 563743153 /nfs/dbraw/zinc/74/31/53/563743153.db2.gz KJYDFHYGQXCKMC-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN Cc1cc(C(=O)Nc2ccc3oc(C)nc3c2)c(C)n1Cc1ccco1 ZINC000014158231 563745668 /nfs/dbraw/zinc/74/56/68/563745668.db2.gz JQEFODOVKCFCBP-UHFFFAOYSA-N 0 0 349.390 4.448 50 0 EIAARN Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)c1cccs1 ZINC000014163363 563745807 /nfs/dbraw/zinc/74/58/07/563745807.db2.gz XBQULIUNJZZFFR-JTQLQIEISA-N 0 0 332.450 4.193 50 0 EIAARN O=C(NCc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1F ZINC000014163220 563745872 /nfs/dbraw/zinc/74/58/72/563745872.db2.gz WLDZQFGEQQCZOC-UHFFFAOYSA-N 0 0 345.374 4.410 50 0 EIAARN O=C(CSc1nc2ccccc2o1)N1CCC[C@H]1c1cccs1 ZINC000014171926 563747164 /nfs/dbraw/zinc/74/71/64/563747164.db2.gz ZJTOJALFMXCRQA-ZDUSSCGKSA-N 0 0 344.461 4.345 50 0 EIAARN C[C@H]1CCCN(Cn2nc(Nc3ccc(F)cc3)sc2=S)C1 ZINC000014189393 563748902 /nfs/dbraw/zinc/74/89/02/563748902.db2.gz JYGFZEMLAWVXKM-NSHDSACASA-N 0 0 338.477 4.246 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c(C)c1 ZINC000014198254 563749786 /nfs/dbraw/zinc/74/97/86/563749786.db2.gz DJMZXCALLIDQAB-UHFFFAOYSA-N 0 0 340.404 4.463 50 0 EIAARN Cc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)n(C)n1 ZINC000032809903 563751951 /nfs/dbraw/zinc/75/19/51/563751951.db2.gz IFXLSSLKCIPRJA-UHFFFAOYSA-N 0 0 349.312 4.260 50 0 EIAARN O=C(Nc1nc2ccccc2s1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000014239942 563753518 /nfs/dbraw/zinc/75/35/18/563753518.db2.gz SAEWDCMQHMJJDM-NSHDSACASA-N 0 0 344.823 4.140 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1C ZINC000014246163 563755010 /nfs/dbraw/zinc/75/50/10/563755010.db2.gz KPEPIKOSFKXYAV-ZDUSSCGKSA-N 0 0 338.451 4.204 50 0 EIAARN Cc1ccc2nc3c(c(C(=O)O[C@@H]4CCCCC4=O)c2c1)CCCC3 ZINC000014253574 563755972 /nfs/dbraw/zinc/75/59/72/563755972.db2.gz IJTZNDBNUKXFBN-LJQANCHMSA-N 0 0 337.419 4.091 50 0 EIAARN Fc1cccc(CSc2nnc(NCc3ccco3)s2)c1F ZINC000014303796 563758024 /nfs/dbraw/zinc/75/80/24/563758024.db2.gz DOGABUKVRYGOGS-UHFFFAOYSA-N 0 0 339.392 4.314 50 0 EIAARN CSCc1nnc(SCc2ncc(-c3ccc(F)cc3)o2)o1 ZINC000032860381 563765058 /nfs/dbraw/zinc/76/50/58/563765058.db2.gz XUEKKALAFTXCNG-UHFFFAOYSA-N 0 0 337.401 4.019 50 0 EIAARN CCCCN(C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000032873825 563771523 /nfs/dbraw/zinc/77/15/23/563771523.db2.gz PAIZYXHJZIZIRC-IBGZPJMESA-N 0 0 337.419 4.013 50 0 EIAARN COc1ccc(-c2noc(CN(C)[C@@H]3CCCc4ccccc43)n2)cc1 ZINC000015291819 563781501 /nfs/dbraw/zinc/78/15/01/563781501.db2.gz JLOJDWVOPZPJKU-LJQANCHMSA-N 0 0 349.434 4.255 50 0 EIAARN COC(=O)c1ccoc1COC(=O)c1oc2c(cccc2Cl)c1C ZINC000032894862 563783171 /nfs/dbraw/zinc/78/31/71/563783171.db2.gz QQJCTMZKVKKWAG-UHFFFAOYSA-N 0 0 348.738 4.131 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)cc1 ZINC000015358172 563783489 /nfs/dbraw/zinc/78/34/89/563783489.db2.gz JPLWCNOVOACSBC-LLVKDONJSA-N 0 0 339.313 4.120 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000015422577 563784143 /nfs/dbraw/zinc/78/41/43/563784143.db2.gz 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/nfs/dbraw/zinc/79/10/99/563791099.db2.gz PKNJGCOYTNRTQF-RYUDHWBXSA-N 0 0 346.477 4.088 50 0 EIAARN Cc1ccc(-c2ccsc2C(=O)Nn2cnc3ccccc32)cc1 ZINC000032903964 563791459 /nfs/dbraw/zinc/79/14/59/563791459.db2.gz IUJVZOCVNPTROY-UHFFFAOYSA-N 0 0 333.416 4.457 50 0 EIAARN Cc1cc(C)n(CCC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000032906161 563792632 /nfs/dbraw/zinc/79/26/32/563792632.db2.gz YIFARJUSRKFYHW-UHFFFAOYSA-N 0 0 335.407 4.321 50 0 EIAARN C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1cccc2ccccc21 ZINC000015814826 563793005 /nfs/dbraw/zinc/79/30/05/563793005.db2.gz WINPWHFRDXXJGL-OAHLLOKOSA-N 0 0 329.399 4.493 50 0 EIAARN Cc1nc(CCNC(=O)c2sc3ccccc3c2Cl)cs1 ZINC000015832782 563793716 /nfs/dbraw/zinc/79/37/16/563793716.db2.gz IMYKTJVVYFHVPR-UHFFFAOYSA-N 0 0 336.869 4.292 50 0 EIAARN CC(C)(C)c1nc(CS(=O)(=O)Cc2cccc(Cl)c2)cs1 ZINC000046185231 563793743 /nfs/dbraw/zinc/79/37/43/563793743.db2.gz AWFXWQYJZOLPKI-UHFFFAOYSA-N 0 0 343.901 4.209 50 0 EIAARN Cc1cccc(CSc2nc(=O)n(C3CCCC3)c3c2CCC3)c1 ZINC000015840391 563795510 /nfs/dbraw/zinc/79/55/10/563795510.db2.gz ACMNUPUNRGPWSW-UHFFFAOYSA-N 0 0 340.492 4.448 50 0 EIAARN O=c1nc(SCc2ccccc2)c2c(n1-c1ccccc1)CCC2 ZINC000015840394 563795538 /nfs/dbraw/zinc/79/55/38/563795538.db2.gz KJIPQHWVEMBQFD-UHFFFAOYSA-N 0 0 334.444 4.014 50 0 EIAARN CCCOc1ccccc1C(=O)Nc1ccc(OC)c2ncccc12 ZINC000015840707 563795712 /nfs/dbraw/zinc/79/57/12/563795712.db2.gz XRQYTIRAGDKFRU-UHFFFAOYSA-N 0 0 336.391 4.285 50 0 EIAARN CCOc1ccccc1CS[C@@H](C)C(=O)Nc1ccccc1F ZINC000032907796 563799721 /nfs/dbraw/zinc/79/97/21/563799721.db2.gz JXOZJXDRRYCPCM-ZDUSSCGKSA-N 0 0 333.428 4.485 50 0 EIAARN COc1ccc(OC)c(CS[C@H](C)C(=O)Nc2ccccc2F)c1 ZINC000032907807 563800054 /nfs/dbraw/zinc/80/00/54/563800054.db2.gz DGUBCCGQOBIPLW-GFCCVEGCSA-N 0 0 349.427 4.103 50 0 EIAARN Cc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c2cccnc12 ZINC000032908724 563800331 /nfs/dbraw/zinc/80/03/31/563800331.db2.gz HBBQHAUVILTVMJ-UHFFFAOYSA-N 0 0 342.402 4.356 50 0 EIAARN CC(C)(C)OC(=O)n1ccc2cc(I)ccc21 ZINC000016124911 563804027 /nfs/dbraw/zinc/80/40/27/563804027.db2.gz RMYVMKHVFXTKPF-UHFFFAOYSA-N 0 0 343.164 4.029 50 0 EIAARN CN(C)c1ncccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000032912936 563806384 /nfs/dbraw/zinc/80/63/84/563806384.db2.gz GVDLVQFGIJIFLW-UHFFFAOYSA-N 0 0 345.446 4.308 50 0 EIAARN CC(C)c1ccc(C(=O)CSc2nnnn2C2CC2)c(C(C)C)c1 ZINC000016375510 563809710 /nfs/dbraw/zinc/80/97/10/563809710.db2.gz QEACLKGDLWGPNX-UHFFFAOYSA-N 0 0 344.484 4.230 50 0 EIAARN COc1cc([C@H](C)NC(=O)CC(C)(C)C)ccc1OCC(F)(F)F ZINC000032914577 563811283 /nfs/dbraw/zinc/81/12/83/563811283.db2.gz DIUZCGUVWAIARX-NSHDSACASA-N 0 0 347.377 4.250 50 0 EIAARN CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1OCC ZINC000016579896 563815406 /nfs/dbraw/zinc/81/54/06/563815406.db2.gz CTQSDRUVFNTVPJ-UHFFFAOYSA-N 0 0 332.400 4.022 50 0 EIAARN Cc1ccnc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1 ZINC000016580015 563815431 /nfs/dbraw/zinc/81/54/31/563815431.db2.gz NWXBKZLZDWTEEJ-JTQLQIEISA-N 0 0 325.195 4.103 50 0 EIAARN CCCNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000016639528 563818541 /nfs/dbraw/zinc/81/85/41/563818541.db2.gz ZIWMEWFKXKLUOB-UHFFFAOYSA-N 0 0 347.871 4.248 50 0 EIAARN COc1ccc([C@@H](O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000016675873 563820285 /nfs/dbraw/zinc/82/02/85/563820285.db2.gz CHSNMVQHOCHPDK-HNNXBMFYSA-N 0 0 334.828 4.051 50 0 EIAARN CCc1ccc(-n2c(N)c(C(=O)NC3CCCC3)sc2=S)cc1 ZINC000016742361 563822211 /nfs/dbraw/zinc/82/22/11/563822211.db2.gz CXWGRHJCLPPORD-UHFFFAOYSA-N 0 0 347.509 4.085 50 0 EIAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1 ZINC000016751666 563822536 /nfs/dbraw/zinc/82/25/36/563822536.db2.gz RVSFTLNXJWZHBX-SFHVURJKSA-N 0 0 333.387 4.138 50 0 EIAARN Cc1ccc(Nc2nc(Nc3ccccc3)nc3c2cnn3C)c(C)c1 ZINC000017025968 563829320 /nfs/dbraw/zinc/82/93/20/563829320.db2.gz GCDPHYMMRNNQBL-UHFFFAOYSA-N 0 0 344.422 4.467 50 0 EIAARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3F)C12 ZINC000000222603 563829741 /nfs/dbraw/zinc/82/97/41/563829741.db2.gz JJOKZMNQLNABTM-IBGZPJMESA-N 0 0 333.366 4.197 50 0 EIAARN CC1(C)Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3)c(=O)c21 ZINC000017056747 563830384 /nfs/dbraw/zinc/83/03/84/563830384.db2.gz ZDMKWWPRYHXHDB-UHFFFAOYSA-N 0 0 334.444 4.396 50 0 EIAARN CC(C)(C)c1ccc(-c2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000017070651 563833268 /nfs/dbraw/zinc/83/32/68/563833268.db2.gz MQJPEGLPFSUAFM-UHFFFAOYSA-N 0 0 335.432 4.269 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(N)cc1 ZINC000017070812 563833507 /nfs/dbraw/zinc/83/35/07/563833507.db2.gz DJEIIMSIJWXHTD-SNVBAGLBSA-N 0 0 336.844 4.050 50 0 EIAARN S=C1N=NC(Cc2ccc(-c3ccccc3)cc2)N1Cc1ccco1 ZINC000017072275 563835687 /nfs/dbraw/zinc/83/56/87/563835687.db2.gz PYUCEEYCSPTMBD-UHFFFAOYSA-N 0 0 347.443 4.466 50 0 EIAARN O=C(COc1ccccc1)Nc1ccc(OCc2cccs2)cc1 ZINC000032930527 563840968 /nfs/dbraw/zinc/84/09/68/563840968.db2.gz IZWCJULPGFFLTE-UHFFFAOYSA-N 0 0 339.416 4.345 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000000440353 563843492 /nfs/dbraw/zinc/84/34/92/563843492.db2.gz AYDLVHUXWYZJFW-IZZDOVSWSA-N 0 0 344.414 4.333 50 0 EIAARN O=C1C=C(NCc2ccc(Cl)c(Cl)c2)C2(CCCCC2)O1 ZINC000017364089 563843774 /nfs/dbraw/zinc/84/37/74/563843774.db2.gz HWTNHKCXYMDSPI-UHFFFAOYSA-N 0 0 326.223 4.227 50 0 EIAARN Clc1ccccc1-c1nnc2sc(Nc3ccccc3)nn21 ZINC000000613160 563845471 /nfs/dbraw/zinc/84/54/71/563845471.db2.gz QPDFFXVWNLFZRH-UHFFFAOYSA-N 0 0 327.800 4.250 50 0 EIAARN O=c1cc(CSc2ccc(Cl)cc2)nc(-c2ccccn2)[nH]1 ZINC000018212832 563850984 /nfs/dbraw/zinc/85/09/84/563850984.db2.gz IWNUQKTYIYGTEN-UHFFFAOYSA-N 0 0 329.812 4.190 50 0 EIAARN Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000019909418 563856992 /nfs/dbraw/zinc/85/69/92/563856992.db2.gz BCTLLELASDCBBD-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN O=C(NCc1ccc(Cl)cc1Cl)Nc1nnc(C2CC2)s1 ZINC000043359491 563864944 /nfs/dbraw/zinc/86/49/44/563864944.db2.gz XJHLFYFKQWEHHI-UHFFFAOYSA-N 0 0 343.239 4.044 50 0 EIAARN O=C(Nc1ccc(OC(=O)[C@@H]2CC=CCC2)cc1)c1cccs1 ZINC000024006047 563868115 /nfs/dbraw/zinc/86/81/15/563868115.db2.gz IMGGRVCPDKHYND-CYBMUJFWSA-N 0 0 327.405 4.262 50 0 EIAARN CC(=O)N[C@H](C(=O)Oc1ccc(-c2ccccc2)cc1Cl)C(C)C ZINC000024042978 563868414 /nfs/dbraw/zinc/86/84/14/563868414.db2.gz XCPNTEOEVIWEQT-SFHVURJKSA-N 0 0 345.826 4.073 50 0 EIAARN COC(=O)CCSc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000024103877 563869325 /nfs/dbraw/zinc/86/93/25/563869325.db2.gz CHARKEVIIQBYQM-UHFFFAOYSA-N 0 0 339.420 4.029 50 0 EIAARN COc1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 ZINC000024597345 563873199 /nfs/dbraw/zinc/87/31/99/563873199.db2.gz JYCBYLXQMFFDLA-UHFFFAOYSA-N 0 0 329.827 4.087 50 0 EIAARN O=C(CCc1cccs1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024693403 563874077 /nfs/dbraw/zinc/87/40/77/563874077.db2.gz DZAIMFRZPIHPTE-AWEZNQCLSA-N 0 0 340.448 4.228 50 0 EIAARN O=C(NC1CCCCCC1)c1csc(COc2ccc(F)cc2)n1 ZINC000024777697 563875643 /nfs/dbraw/zinc/87/56/43/563875643.db2.gz PSWZBDQYXJDTHT-UHFFFAOYSA-N 0 0 348.443 4.314 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1F ZINC000024832549 563876312 /nfs/dbraw/zinc/87/63/12/563876312.db2.gz DHNDSDJXQGPYRT-UHFFFAOYSA-N 0 0 340.379 4.136 50 0 EIAARN Cc1ccc(-c2nc(COc3c(F)c(F)cc(F)c3F)no2)cc1 ZINC000024928025 563877907 /nfs/dbraw/zinc/87/79/07/563877907.db2.gz KGSXFKQYLMCYGO-UHFFFAOYSA-N 0 0 338.260 4.180 50 0 EIAARN CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1 ZINC000025044846 563880297 /nfs/dbraw/zinc/88/02/97/563880297.db2.gz ACTJLJZETADGGM-UHFFFAOYSA-N 0 0 326.465 4.476 50 0 EIAARN Cc1cc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)no1 ZINC000025251328 563882583 /nfs/dbraw/zinc/88/25/83/563882583.db2.gz NULMFCMIZVVTBB-GOSISDBHSA-N 0 0 333.391 4.163 50 0 EIAARN O[C@H]1C[C@@](O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000025762866 563887965 /nfs/dbraw/zinc/88/79/65/563887965.db2.gz MAOWNDYORGAXCL-NZQKXSOJSA-N 0 0 328.411 4.250 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCCOCc2ccccc2)o1 ZINC000025840508 563888917 /nfs/dbraw/zinc/88/89/17/563888917.db2.gz BYEDQWSWWKKPTJ-QIFITFDGSA-N 0 0 339.435 4.139 50 0 EIAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000026316050 563890744 /nfs/dbraw/zinc/89/07/44/563890744.db2.gz PVHMMEUUGPTEIB-HUUCEWRRSA-N 0 0 339.439 4.109 50 0 EIAARN CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000026316046 563890813 /nfs/dbraw/zinc/89/08/13/563890813.db2.gz PVHMMEUUGPTEIB-GJZGRUSLSA-N 0 0 339.439 4.109 50 0 EIAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000026316041 563890856 /nfs/dbraw/zinc/89/08/56/563890856.db2.gz PVHMMEUUGPTEIB-CABCVRRESA-N 0 0 339.439 4.109 50 0 EIAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CCCCC2)cc1 ZINC000032952921 563894593 /nfs/dbraw/zinc/89/45/93/563894593.db2.gz URZBBUSHXZYMID-UHFFFAOYSA-N 0 0 331.419 4.231 50 0 EIAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccncc3)o2)cc1C ZINC000027408135 563895871 /nfs/dbraw/zinc/89/58/71/563895871.db2.gz TUOWKJLRDMKPND-INIZCTEOSA-N 0 0 349.434 4.163 50 0 EIAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1onc2c1CCCC2 ZINC000027662390 563898116 /nfs/dbraw/zinc/89/81/16/563898116.db2.gz HAYRKTPNAMBIHN-ZDUSSCGKSA-N 0 0 342.439 4.257 50 0 EIAARN COc1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1 ZINC000027662786 563898398 /nfs/dbraw/zinc/89/83/98/563898398.db2.gz YXDFNHIIRTVISA-UHFFFAOYSA-N 0 0 336.366 4.076 50 0 EIAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1cccs1 ZINC000027663710 563898533 /nfs/dbraw/zinc/89/85/33/563898533.db2.gz DBQQDHQQIGCIDK-MRXNPFEDSA-N 0 0 348.899 4.359 50 0 EIAARN CCOc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1C ZINC000027746610 563899302 /nfs/dbraw/zinc/89/93/02/563899302.db2.gz YHSDYHVKGQMPLE-UHFFFAOYSA-N 0 0 337.379 4.004 50 0 EIAARN Fc1cccc(Cl)c1Cn1c2ccccc2nc1CN1CCCC1 ZINC000027757704 563899505 /nfs/dbraw/zinc/89/95/05/563899505.db2.gz NMJNTDUYWVJDLX-UHFFFAOYSA-N 0 0 343.833 4.473 50 0 EIAARN O=C(c1cc2c(cccc2F)s1)N1CCO[C@H](c2ccccc2)C1 ZINC000027909130 563900213 /nfs/dbraw/zinc/90/02/13/563900213.db2.gz RWMCDWSWBKKUMS-INIZCTEOSA-N 0 0 341.407 4.254 50 0 EIAARN CCCCOc1ccc(OC)cc1NC(=O)c1cccc2c[nH]nc21 ZINC000028017101 563901210 /nfs/dbraw/zinc/90/12/10/563901210.db2.gz OLZNYZYFHWQHFM-UHFFFAOYSA-N 0 0 339.395 4.003 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)COc2cccc(Cl)c2)cc1 ZINC000028318593 563902493 /nfs/dbraw/zinc/90/24/93/563902493.db2.gz HKVJFYXHDMPMHD-SFHVURJKSA-N 0 0 345.826 4.091 50 0 EIAARN CCOCc1ccccc1CNC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000028347356 563902589 /nfs/dbraw/zinc/90/25/89/563902589.db2.gz YJOGYWLBJWWTIO-HXUWFJFHSA-N 0 0 338.451 4.174 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000072273873 563902795 /nfs/dbraw/zinc/90/27/95/563902795.db2.gz ZJRTUZYOHIHLBJ-IKGGRYGDSA-N 0 0 326.465 4.309 50 0 EIAARN Cc1cccc2[nH]c(SCC(=O)N(c3ccccc3)C(C)C)nc21 ZINC000028515305 563903334 /nfs/dbraw/zinc/90/33/34/563903334.db2.gz DLFSUJDCIWCXOK-UHFFFAOYSA-N 0 0 339.464 4.405 50 0 EIAARN Cc1ccc2[nH]c(=NC(=O)c3cc(C)nc4ccccc43)sc2c1 ZINC000028818177 563904119 /nfs/dbraw/zinc/90/41/19/563904119.db2.gz PQNPLCMAGSYSRT-UHFFFAOYSA-N 0 0 333.416 4.136 50 0 EIAARN CC(C)[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccs1 ZINC000029097678 563904910 /nfs/dbraw/zinc/90/49/10/563904910.db2.gz ALXZAWPRMBZWDZ-LJQANCHMSA-N 0 0 341.480 4.461 50 0 EIAARN CC(C)(C)c1csc(NC(=O)CCCc2nc3ccccc3[nH]2)n1 ZINC000029260828 563905425 /nfs/dbraw/zinc/90/54/25/563905425.db2.gz WVDZQHALSYTAIV-UHFFFAOYSA-N 0 0 342.468 4.278 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cn1 ZINC000000275332 563905961 /nfs/dbraw/zinc/90/59/61/563905961.db2.gz PAGUMUWAGUETRW-UHFFFAOYSA-N 0 0 326.581 4.142 50 0 EIAARN C[C@@H](Cn1cccn1)Nc1nc(-c2cccs2)nc2ccccc21 ZINC000029624298 563907598 /nfs/dbraw/zinc/90/75/98/563907598.db2.gz YLLCIGIAJIJWIC-ZDUSSCGKSA-N 0 0 335.436 4.055 50 0 EIAARN Cc1ccc2[nH]c(S[C@@H](C)c3nc(-c4ccco4)no3)nc2c1 ZINC000029738136 563908256 /nfs/dbraw/zinc/90/82/56/563908256.db2.gz OJMUJKBIMJSGFD-JTQLQIEISA-N 0 0 326.381 4.368 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2cnn(-c3ccccc3C)c2C2CC2)o1 ZINC000029757817 563908430 /nfs/dbraw/zinc/90/84/30/563908430.db2.gz XSYRAGPQDWJXOH-UHFFFAOYSA-N 0 0 349.434 4.232 50 0 EIAARN COc1ccc(Cl)cc1CC(=O)Nc1cccc2ncccc21 ZINC000029762099 563908453 /nfs/dbraw/zinc/90/84/53/563908453.db2.gz NSBOXGWCFKLHGS-UHFFFAOYSA-N 0 0 326.783 4.078 50 0 EIAARN Nn1cc(-c2ccccc2)nc1SCc1cc(-c2ccccc2)no1 ZINC000029850961 563908724 /nfs/dbraw/zinc/90/87/24/563908724.db2.gz VHAIYTLCXBCEEG-UHFFFAOYSA-N 0 0 348.431 4.211 50 0 EIAARN CSCc1nnc(SCC(=O)c2cc(C)c(C)c(C)c2C)o1 ZINC000029917651 563908896 /nfs/dbraw/zinc/90/88/96/563908896.db2.gz FQBIFHGILGZEER-UHFFFAOYSA-N 0 0 336.482 4.141 50 0 EIAARN O=C(NCCCn1cccn1)c1cc2sc3ccccc3c2s1 ZINC000030168913 563909591 /nfs/dbraw/zinc/90/95/91/563909591.db2.gz SSDRAFIESXVPOX-UHFFFAOYSA-N 0 0 341.461 4.133 50 0 EIAARN Cn1ccnc1[C@@H](NCc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000030644112 563910150 /nfs/dbraw/zinc/91/01/50/563910150.db2.gz PSZFPCHGSLKGAE-HNNXBMFYSA-N 0 0 335.835 4.153 50 0 EIAARN CSc1ccc(CN[C@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000030644416 563910153 /nfs/dbraw/zinc/91/01/53/563910153.db2.gz YMXLZPRLOCGPSR-SFHVURJKSA-N 0 0 341.455 4.160 50 0 EIAARN Cc1cc(CC(=O)N2CCCC[C@H]2c2nc(C(C)(C)C)cs2)no1 ZINC000072298591 563912385 /nfs/dbraw/zinc/91/23/85/563912385.db2.gz KNWACMQKHBFTHB-AWEZNQCLSA-N 0 0 347.484 4.033 50 0 EIAARN Cn1c(S[C@H]2CCCCc3ccccc32)nnc1-c1ccncc1 ZINC000177179773 563915393 /nfs/dbraw/zinc/91/53/93/563915393.db2.gz BIMAQYBTPSXPTR-KRWDZBQOSA-N 0 0 336.464 4.437 50 0 EIAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000033269886 563915551 /nfs/dbraw/zinc/91/55/51/563915551.db2.gz ULHRXWGPPPWMMT-CQSZACIVSA-N 0 0 340.757 4.200 50 0 EIAARN C[C@@H](c1cccc(O)c1)N(C)c1nc(C(F)F)nc2ccccc21 ZINC000072307695 563915879 /nfs/dbraw/zinc/91/58/79/563915879.db2.gz CDJLQWPQOZDEGY-NSHDSACASA-N 0 0 329.350 4.470 50 0 EIAARN Cc1ccc(-c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 ZINC000000121391 563916945 /nfs/dbraw/zinc/91/69/45/563916945.db2.gz VFAIFISSECVODE-UHFFFAOYSA-N 0 0 345.442 4.400 50 0 EIAARN CC1(C)C[C@@H](NC(=O)C[C@@H](c2ccco2)c2ccc(F)cc2)CCO1 ZINC000000472378 563917640 /nfs/dbraw/zinc/91/76/40/563917640.db2.gz ASBIGRMSMVGJFG-DLBZAZTESA-N 0 0 345.414 4.015 50 0 EIAARN C[S@@](=O)c1c(Cl)cccc1NC(=O)c1ccc(F)cc1Cl ZINC000072310011 563918405 /nfs/dbraw/zinc/91/84/05/563918405.db2.gz ATSCREHLBLGCMN-NRFANRHFSA-N 0 0 346.210 4.122 50 0 EIAARN CC(=O)c1c(C)nn([C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)c1C ZINC000006702753 563919209 /nfs/dbraw/zinc/91/92/09/563919209.db2.gz UMTXPVDDXLBOPS-NSHDSACASA-N 0 0 347.846 4.254 50 0 EIAARN Cn1cccc1[C@@H]1CCCCN1c1ncnc2c3ccccc3oc21 ZINC000072310213 563919220 /nfs/dbraw/zinc/91/92/20/563919220.db2.gz YFYPGFHCXHWTHP-INIZCTEOSA-N 0 0 332.407 4.446 50 0 EIAARN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000013495202 563920948 /nfs/dbraw/zinc/92/09/48/563920948.db2.gz PBMVFBOHKAQXLX-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(Cl)cc2)n1 ZINC000013495361 563921132 /nfs/dbraw/zinc/92/11/32/563921132.db2.gz IRPYFXYTNNYLFI-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1ccccc1-c1noc([C@H](C)NC(=O)c2ccccc2Cl)n1 ZINC000013495359 563921135 /nfs/dbraw/zinc/92/11/35/563921135.db2.gz ZKJHXSKEVLLXMS-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1csc(-c2ccc(CNC(=O)C3(c4ccccc4)CC3)cc2)n1 ZINC000097938085 563922701 /nfs/dbraw/zinc/92/27/01/563922701.db2.gz HBYKRWLLMCYHKW-UHFFFAOYSA-N 0 0 348.471 4.467 50 0 EIAARN CC(C)c1csc(-c2ccc(CNC(=O)c3ccccn3)cc2)n1 ZINC000097938142 563922894 /nfs/dbraw/zinc/92/28/94/563922894.db2.gz CZJRINHLIOGLRE-UHFFFAOYSA-N 0 0 337.448 4.259 50 0 EIAARN Cc1ccc(C(=O)Nc2cnc(-c3ccc(Cl)cc3)nc2)s1 ZINC000097938554 563923045 /nfs/dbraw/zinc/92/30/45/563923045.db2.gz VXCUXVXBDOWIFV-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CC(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3C)cc2s1 ZINC000033008121 563924749 /nfs/dbraw/zinc/92/47/49/563924749.db2.gz ASNZLWVEEMTWTA-UHFFFAOYSA-N 0 0 340.408 4.207 50 0 EIAARN O=C(c1ccc(C2OCCO2)s1)c1ccc(Cl)c(Cl)c1 ZINC000043210441 563925295 /nfs/dbraw/zinc/92/52/95/563925295.db2.gz KTJAZJQNWAVZKR-UHFFFAOYSA-N 0 0 329.204 4.331 50 0 EIAARN COc1ccc(NC(=O)Nc2ccc(C(F)(F)F)nc2C)cc1 ZINC000044676311 563926495 /nfs/dbraw/zinc/92/64/95/563926495.db2.gz WZEASNLZWHUMQQ-UHFFFAOYSA-N 0 0 325.290 4.061 50 0 EIAARN Clc1nc2cc(Br)cc(Br)c2s1 ZINC000044712733 563926633 /nfs/dbraw/zinc/92/66/33/563926633.db2.gz XOLXSDGSOGYDRJ-UHFFFAOYSA-N 0 0 327.428 4.475 50 0 EIAARN CC(C)Cc1cn(C2CCN(C(=O)CC3CCCCCC3)CC2)nn1 ZINC000048179407 563930151 /nfs/dbraw/zinc/93/01/51/563930151.db2.gz NTPZRVQLUGYPRX-UHFFFAOYSA-N 0 0 346.519 4.001 50 0 EIAARN N/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3 ZINC000013629948 563930956 /nfs/dbraw/zinc/93/09/56/563930956.db2.gz CYYNYOPGQORFGO-BSYVCWPDSA-N 0 0 338.451 4.114 50 0 EIAARN Cc1nnc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)s1 ZINC000033027656 563931355 /nfs/dbraw/zinc/93/13/55/563931355.db2.gz UADRCUCAVARYOB-UHFFFAOYSA-N 0 0 341.436 4.295 50 0 EIAARN O[C@@H]1CCCC[C@H]1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000060342747 563931878 /nfs/dbraw/zinc/93/18/78/563931878.db2.gz AUURWASIUZNMSJ-HUUCEWRRSA-N 0 0 325.437 4.074 50 0 EIAARN O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc[nH]c1=S ZINC000070010393 563936080 /nfs/dbraw/zinc/93/60/80/563936080.db2.gz HKPSUJTXODTOOF-UHFFFAOYSA-N 0 0 348.642 4.461 50 0 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563967416 /nfs/dbraw/zinc/96/74/16/563967416.db2.gz OYNMPUCQHRGKOV-INIZCTEOSA-N 0 0 336.439 4.440 50 0 EIAARN COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc(OC)c1O ZINC000000035019 563968038 /nfs/dbraw/zinc/96/80/38/563968038.db2.gz VHBVZDCCHLNMTN-OAHLLOKOSA-N 0 0 349.386 4.037 50 0 EIAARN CC(C)(C)c1cc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)[nH]n1 ZINC000077298293 563968817 /nfs/dbraw/zinc/96/88/17/563968817.db2.gz OVGPLHLBTVJTAE-MRXNPFEDSA-N 0 0 341.434 4.060 50 0 EIAARN COCCC[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000077301048 563968826 /nfs/dbraw/zinc/96/88/26/563968826.db2.gz FEAUYXMRNBQXJZ-AWEZNQCLSA-N 0 0 340.851 4.162 50 0 EIAARN CC(=O)c1cccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000077303498 563968874 /nfs/dbraw/zinc/96/88/74/563968874.db2.gz OSPMMQPZNAMHES-IBGZPJMESA-N 0 0 325.383 4.396 50 0 EIAARN CCn1nc(C)cc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000077319163 563968917 /nfs/dbraw/zinc/96/89/17/563968917.db2.gz GJZXLQNYVHSIHU-UHFFFAOYSA-N 0 0 349.434 4.276 50 0 EIAARN CN(C(=O)c1ccc(-n2ccnc2)cc1)[C@@H]1CCCc2ccccc21 ZINC000077377674 563969274 /nfs/dbraw/zinc/96/92/74/563969274.db2.gz YMHCFTKLELNPDD-HXUWFJFHSA-N 0 0 331.419 4.022 50 0 EIAARN Cc1nc2cc(C(=O)N3CCC[C@@H](c4ccccc4C)C3)ccc2[nH]1 ZINC000077394253 563969400 /nfs/dbraw/zinc/96/94/00/563969400.db2.gz IKLIDMMIGQFAFG-QGZVFWFLSA-N 0 0 333.435 4.200 50 0 EIAARN CCc1nc(CCn2ccnc2-c2oc3ccc(C)cc3c2C)no1 ZINC000077452727 563969720 /nfs/dbraw/zinc/96/97/20/563969720.db2.gz ZMEZPWXDMXGCRD-UHFFFAOYSA-N 0 0 336.395 4.101 50 0 EIAARN O=C(c1ccccc1-n1cccn1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077516895 563970113 /nfs/dbraw/zinc/97/01/13/563970113.db2.gz DWVWWERJKOWCSI-IBGZPJMESA-N 0 0 349.409 4.379 50 0 EIAARN CCOC1CCN(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000072272871 563970990 /nfs/dbraw/zinc/97/09/90/563970990.db2.gz IQTSNBYGEYSOBO-UHFFFAOYSA-N 0 0 340.851 4.160 50 0 EIAARN Cc1c2cc(C)cc(CNC(=O)[C@H]3CCCO3)c2[nH]c1-c1ccccc1 ZINC000082138983 563972666 /nfs/dbraw/zinc/97/26/66/563972666.db2.gz ABNOCKNSUCPBMY-LJQANCHMSA-N 0 0 348.446 4.247 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCc4ccccc43)[nH]n2)o1 ZINC000082156118 563972735 /nfs/dbraw/zinc/97/27/35/563972735.db2.gz RTELOPQFACSIDA-GOSISDBHSA-N 0 0 335.407 4.128 50 0 EIAARN CC(C)CCNC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278893 563972855 /nfs/dbraw/zinc/97/28/55/563972855.db2.gz IXLXBOKPBOKVII-UHFFFAOYSA-N 0 0 335.407 4.180 50 0 EIAARN CC(C)n1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000033286297 563972932 /nfs/dbraw/zinc/97/29/32/563972932.db2.gz IEIFUBMIQMWUTL-PDGQHHTCSA-N 0 0 345.402 4.320 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033297989 563973094 /nfs/dbraw/zinc/97/30/94/563973094.db2.gz ICTGRCZYSQJGOC-ZFWWWQNUSA-N 0 0 339.464 4.396 50 0 EIAARN O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(F)cc1Cl ZINC000085651286 563973875 /nfs/dbraw/zinc/97/38/75/563973875.db2.gz GEFBZFKRYIRXFT-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN O=C(c1ccc(F)cc1Cl)c1ccccc1CN1CCSCC1 ZINC000085651686 563973887 /nfs/dbraw/zinc/97/38/87/563973887.db2.gz YIUUHAHGRXXWPQ-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN Cc1cc(C)cc(C(=O)c2ccc(CN3CCSCC3)cc2)c1 ZINC000085651269 563973923 /nfs/dbraw/zinc/97/39/23/563973923.db2.gz CHZDACCGCXFEJZ-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN O=C(c1ccc(Cl)cc1F)c1ccccc1CN1CCSCC1 ZINC000085651690 563973940 /nfs/dbraw/zinc/97/39/40/563973940.db2.gz UTRVOQNCABLBMW-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN Nc1cc(Br)ccc1-c1ccc(Br)cc1N ZINC000086012961 563974044 /nfs/dbraw/zinc/97/40/44/563974044.db2.gz KZDMFBDNQPKWNM-UHFFFAOYSA-N 0 0 342.034 4.043 50 0 EIAARN O=C(NCc1ccc(C2CC2)nc1)NCc1cccc2ccccc21 ZINC000585150340 563974226 /nfs/dbraw/zinc/97/42/26/563974226.db2.gz ROAXRXVRLWNTBV-UHFFFAOYSA-N 0 0 331.419 4.112 50 0 EIAARN C[C@@H]1Cc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c2C(=O)[C@@H]1C ZINC000000106077 563974730 /nfs/dbraw/zinc/97/47/30/563974730.db2.gz YXCWRLCZWVCEDO-ZIAGYGMSSA-N 0 0 332.403 4.256 50 0 EIAARN CCO[C@H](C)c1nc(CC(=O)O[C@H](c2ccccn2)C(C)C)cs1 ZINC000072287220 563975070 /nfs/dbraw/zinc/97/50/70/563975070.db2.gz GSNOSKSQFFSWCS-DYVFJYSZSA-N 0 0 348.468 4.119 50 0 EIAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@H](C)c1cncs1 ZINC000091321666 563975259 /nfs/dbraw/zinc/97/52/59/563975259.db2.gz LTQZCXSZROWHBA-CYBMUJFWSA-N 0 0 327.453 4.383 50 0 EIAARN C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000091643688 563975586 /nfs/dbraw/zinc/97/55/86/563975586.db2.gz NPHJFAGNEBQPJS-LBPRGKRZSA-N 0 0 341.798 4.223 50 0 EIAARN CCn1ccnc1[C@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1 ZINC000091620860 563975601 /nfs/dbraw/zinc/97/56/01/563975601.db2.gz DBAUVXCWBQTZMD-AWEZNQCLSA-N 0 0 346.862 4.276 50 0 EIAARN CCC(=O)Oc1ccc2c(c1)oc(CC)c(Oc1ccccc1)c2=O ZINC000000086754 563975866 /nfs/dbraw/zinc/97/58/66/563975866.db2.gz YSYMSXMDMQGQNN-UHFFFAOYSA-N 0 0 338.359 4.463 50 0 EIAARN Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)o2)cc1 ZINC000000087616 563976299 /nfs/dbraw/zinc/97/62/99/563976299.db2.gz OLUNYPSDUKWJCL-UHFFFAOYSA-N 0 0 330.384 4.388 50 0 EIAARN Cc1c(OC(=O)C2CCCCC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000000091077 563976548 /nfs/dbraw/zinc/97/65/48/563976548.db2.gz OFLZHJVNTIOHMI-UHFFFAOYSA-N 0 0 340.419 4.466 50 0 EIAARN COc1ccc([C@H](C)NC(=O)Nc2c(C)cc(C)nc2C)cc1F ZINC000095506497 563977131 /nfs/dbraw/zinc/97/71/31/563977131.db2.gz NWBCBQJFIDULBT-LBPRGKRZSA-N 0 0 331.391 4.037 50 0 EIAARN CSC[C@H]1CCCN(C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000095518928 563977358 /nfs/dbraw/zinc/97/73/58/563977358.db2.gz CPDBMZMIQCUBJY-ZDUSSCGKSA-N 0 0 347.509 4.417 50 0 EIAARN Cc1cnccc1CN(C)C(=O)Nc1ccc2[nH]c(C(C)C)nc2c1 ZINC000096148122 563979584 /nfs/dbraw/zinc/97/95/84/563979584.db2.gz BQDHYLMZILHLHK-UHFFFAOYSA-N 0 0 337.427 4.054 50 0 EIAARN O=C(Nc1ccc(OCc2ccccn2)cc1)N1CCCCCCC1 ZINC000096148532 563979616 /nfs/dbraw/zinc/97/96/16/563979616.db2.gz SXUUSWMAMWFTTC-UHFFFAOYSA-N 0 0 339.439 4.459 50 0 EIAARN COC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000044076203 563981231 /nfs/dbraw/zinc/98/12/31/563981231.db2.gz JGDURXGQAQNKCQ-PDOICOKGSA-N 0 0 328.408 4.257 50 0 EIAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3)C2=O)cc1Cl ZINC000000098264 563981466 /nfs/dbraw/zinc/98/14/66/563981466.db2.gz QBUOAZLZAJGXKY-UHFFFAOYSA-N 0 0 347.201 4.084 50 0 EIAARN Cc1ccc(-c2nc(S[C@H](C)c3nc(C(C)(C)C)no3)n[nH]2)cc1 ZINC000044111007 563981495 /nfs/dbraw/zinc/98/14/95/563981495.db2.gz DBXOFCNKFKMRFC-LLVKDONJSA-N 0 0 343.456 4.314 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1 ZINC000006277601 563981551 /nfs/dbraw/zinc/98/15/51/563981551.db2.gz ZLMNNRVUABACCF-UHFFFAOYSA-N 0 0 347.443 4.043 50 0 EIAARN CCc1nnc(CN(CC)C(=O)Nc2ccc([C@@H](C)CC)cc2)o1 ZINC000097475443 563981589 /nfs/dbraw/zinc/98/15/89/563981589.db2.gz MXFFBNSCNCJIKD-ZDUSSCGKSA-N 0 0 330.432 4.200 50 0 EIAARN Cc1ccccc1-c1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1 ZINC000014166329 563983339 /nfs/dbraw/zinc/98/33/39/563983339.db2.gz SGZIUMFXSLKWJQ-UHFFFAOYSA-N 0 0 337.448 4.350 50 0 EIAARN CCn1c(Sc2ncnc3sccc32)nnc1-c1ccccc1 ZINC000014167225 563983359 /nfs/dbraw/zinc/98/33/59/563983359.db2.gz BQFPBQKJPOBHNW-UHFFFAOYSA-N 0 0 339.449 4.121 50 0 EIAARN COc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1F ZINC000014166991 563983373 /nfs/dbraw/zinc/98/33/73/563983373.db2.gz CXEZDIKGQOQTGU-UHFFFAOYSA-N 0 0 331.387 4.393 50 0 EIAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3C)C2=O)c(C)c1 ZINC000000101470 563983845 /nfs/dbraw/zinc/98/38/45/563983845.db2.gz HQAUPVDNZKRFJR-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000539434395 563983973 /nfs/dbraw/zinc/98/39/73/563983973.db2.gz AQLSBNNENCGICH-ROUUACIJSA-N 0 0 348.402 4.026 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)COc2cccc(C)c2C)c1 ZINC000014601721 563986081 /nfs/dbraw/zinc/98/60/81/563986081.db2.gz LYCMJLNVBQURCH-UHFFFAOYSA-N 0 0 343.423 4.118 50 0 EIAARN CCOc1ccccc1Nc1cc(C)nc2nc(-c3ccccc3)nn21 ZINC000014610246 563986117 /nfs/dbraw/zinc/98/61/17/563986117.db2.gz XXIIBMVPVCLYEC-UHFFFAOYSA-N 0 0 345.406 4.242 50 0 EIAARN CCOc1ccc(Nc2cc(C)nc3nc(-c4ccccc4)nn32)cc1 ZINC000014610239 563986125 /nfs/dbraw/zinc/98/61/25/563986125.db2.gz ZKDOADYEYRDOHX-UHFFFAOYSA-N 0 0 345.406 4.242 50 0 EIAARN CCOC(=O)c1sc2nc(C)nc(Nc3ccccc3)c2c1C ZINC000000109437 563986531 /nfs/dbraw/zinc/98/65/31/563986531.db2.gz CXSQPXQHUQKWPJ-UHFFFAOYSA-N 0 0 327.409 4.228 50 0 EIAARN Cc1nc2ccccc2n1C[C@@H](O)COc1cc(C)ccc1C(C)C ZINC000000110049 563986642 /nfs/dbraw/zinc/98/66/42/563986642.db2.gz IYMMXULJUZNXDV-QGZVFWFLSA-N 0 0 338.451 4.216 50 0 EIAARN COC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000000132270 563987004 /nfs/dbraw/zinc/98/70/04/563987004.db2.gz WUGPPVYKUIZTDF-JTQLQIEISA-N 0 0 330.434 4.012 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccccc2Cl)CO1 ZINC000000140959 563987087 /nfs/dbraw/zinc/98/70/87/563987087.db2.gz FUCBNFOQQLINSL-UHFFFAOYSA-N 0 0 327.767 4.111 50 0 biogenic EIAARN COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000000147268 563987169 /nfs/dbraw/zinc/98/71/69/563987169.db2.gz NSMDVTDHRIBQMV-VQHVLOKHSA-N 0 0 325.408 4.281 50 0 EIAARN Cc1cc(C)cc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)c1 ZINC000000216313 563988673 /nfs/dbraw/zinc/98/86/73/563988673.db2.gz NEIFJILBWQOGHT-UHFFFAOYSA-N 0 0 333.435 4.315 50 0 EIAARN Cc1nc2cc(C(=O)NC3CCCC3)ccc2n1-c1cccc(C)c1 ZINC000000216298 563988677 /nfs/dbraw/zinc/98/86/77/563988677.db2.gz CWLQTJRIZYRLKS-UHFFFAOYSA-N 0 0 333.435 4.315 50 0 EIAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)NC2CCCC2)cc1C ZINC000000218490 563988732 /nfs/dbraw/zinc/98/87/32/563988732.db2.gz CYYFGWVJOMSHRE-FQEVSTJZSA-N 0 0 348.446 4.064 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)ncn3C2CCCC2)C1 ZINC000000219007 563988783 /nfs/dbraw/zinc/98/87/83/563988783.db2.gz UXEZEWCSGZEEQK-GASCZTMLSA-N 0 0 325.456 4.270 50 0 EIAARN Clc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 ZINC000000222334 563988894 /nfs/dbraw/zinc/98/88/94/563988894.db2.gz CRWSCNNBAURXLK-HUUCEWRRSA-N 0 0 346.221 4.126 50 0 EIAARN O=C(CCn1c2ccccc2oc1=S)NCCC1=CCCCC1 ZINC000000224687 563988996 /nfs/dbraw/zinc/98/89/96/563988996.db2.gz CFELNGBBSNAZOX-UHFFFAOYSA-N 0 0 330.453 4.361 50 0 biogenic EIAARN COc1ccc(NC(=O)c2cccc(Br)c2)cc1Cl ZINC000000242265 563989145 /nfs/dbraw/zinc/98/91/45/563989145.db2.gz BJYIECZAPDBSLR-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN CC(=O)O[C@@H]1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)C1(C)C ZINC000000118690 563989229 /nfs/dbraw/zinc/98/92/29/563989229.db2.gz UAUUBSHOVAJNJQ-RBUKOAKNSA-N 0 0 339.391 4.213 50 0 EIAARN FC(F)(F)c1ccc(N2CCOCC2)c(NCc2cccs2)c1 ZINC000000118701 563989518 /nfs/dbraw/zinc/98/95/18/563989518.db2.gz BBALHJQJMJQNBP-UHFFFAOYSA-N 0 0 342.386 4.216 50 0 EIAARN Cc1cc(C)c(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c(C)c1 ZINC000000252294 563989519 /nfs/dbraw/zinc/98/95/19/563989519.db2.gz KLXUBLHRABVYCM-MRXNPFEDSA-N 0 0 333.435 4.019 50 0 EIAARN CCCC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000000281102 563990188 /nfs/dbraw/zinc/99/01/88/563990188.db2.gz ZGNZJNLZBCPERA-UHFFFAOYSA-N 0 0 330.240 4.174 50 0 EIAARN COc1ccc(NC(=O)N2CCS[C@H]2c2ccc(C)cc2)cc1 ZINC000028232246 563990800 /nfs/dbraw/zinc/99/08/00/563990800.db2.gz HFBJGIKFSKGAEE-KRWDZBQOSA-N 0 0 328.437 4.283 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1[C@H]1c2ccccc2C=CN1C(C)=O ZINC000000344449 563991420 /nfs/dbraw/zinc/99/14/20/563991420.db2.gz CUVGSISUAFZDNL-FGZHOGPDSA-N 0 0 344.414 4.135 50 0 EIAARN CCOc1nc(Cl)nc(N(C2CCCCC2)C2CCCCC2)n1 ZINC000000354992 563991583 /nfs/dbraw/zinc/99/15/83/563991583.db2.gz RBSQTQSVVPTLFX-UHFFFAOYSA-N 0 0 338.883 4.396 50 0 EIAARN CCOc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000000383690 563992016 /nfs/dbraw/zinc/99/20/16/563992016.db2.gz YVUVAAFOIFSDFL-UHFFFAOYSA-N 0 0 327.405 4.039 50 0 EIAARN O=C(CSC/C=C\c1ccccc1)NCc1ccc(Cl)cc1 ZINC000033469963 563992265 /nfs/dbraw/zinc/99/22/65/563992265.db2.gz FADWTNDVJJEBRL-DAXSKMNVSA-N 0 0 331.868 4.403 50 0 EIAARN Cn1cc(CC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cn1 ZINC000408512849 563992694 /nfs/dbraw/zinc/99/26/94/563992694.db2.gz CFRFKYOFXCLAMI-UHFFFAOYSA-N 0 0 343.789 4.061 50 0 EIAARN CCC(CC)n1ncc(C(=O)Nc2ccc3oc(CO)cc3c2)c1C ZINC000408518374 563993070 /nfs/dbraw/zinc/99/30/70/563993070.db2.gz DUXWZNABOUATLW-UHFFFAOYSA-N 0 0 341.411 4.043 50 0 EIAARN Cc1ccc(F)cc1C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000408526059 563993213 /nfs/dbraw/zinc/99/32/13/563993213.db2.gz UCUCEIWCSJRBDK-UHFFFAOYSA-N 0 0 337.354 4.277 50 0 EIAARN CCOC(=O)N[C@H](Cc1ccccc1)c1csc([C@@H]2CCCO2)n1 ZINC000408523986 563993249 /nfs/dbraw/zinc/99/32/49/563993249.db2.gz OYVVJWLDHGYDKG-ZBFHGGJFSA-N 0 0 346.452 4.025 50 0 EIAARN COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000257365077 563993408 /nfs/dbraw/zinc/99/34/08/563993408.db2.gz NEKVEZQTFNOVPO-ULQDDVLXSA-N 0 0 342.464 4.009 50 0 EIAARN Cc1ccccc1-c1nc(CNc2cc(Cl)cc3c2OCC3)no1 ZINC000166403046 563993683 /nfs/dbraw/zinc/99/36/83/563993683.db2.gz PYFQAIIEYNQTAA-UHFFFAOYSA-N 0 0 341.798 4.245 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)NCc3cc4ccccc4o3)cnc21 ZINC000061352722 563994053 /nfs/dbraw/zinc/99/40/53/563994053.db2.gz RYTYPEPXNHERGQ-UHFFFAOYSA-N 0 0 349.394 4.080 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 ZINC000005136321 563994545 /nfs/dbraw/zinc/99/45/45/563994545.db2.gz XULFPYBWTBFUMQ-UHFFFAOYSA-N 0 0 336.435 4.183 50 0 EIAARN Cc1noc(C2CC2)c1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000154994444 563995384 /nfs/dbraw/zinc/99/53/84/563995384.db2.gz SOBSSCXJQQZYTQ-UHFFFAOYSA-N 0 0 329.425 4.243 50 0 EIAARN Cc1ccc(CN(C)C(=O)NCC2(c3ccccc3)CCCC2)o1 ZINC000426487736 563995813 /nfs/dbraw/zinc/99/58/13/563995813.db2.gz YPLGKAOJNBRPBR-UHFFFAOYSA-N 0 0 326.440 4.241 50 0 EIAARN Cc1cc(C(=O)N(C)Cc2cscn2)sc1-c1ccccc1 ZINC000426505778 563996194 /nfs/dbraw/zinc/99/61/94/563996194.db2.gz NJNCBNURNQJNFM-UHFFFAOYSA-N 0 0 328.462 4.452 50 0 EIAARN Cc1nc2cc(NC(=O)c3cncc(-c4ccccc4)c3)ccc2n1C ZINC000133746598 563996498 /nfs/dbraw/zinc/99/64/98/563996498.db2.gz UACKYKRXXBFIOE-UHFFFAOYSA-N 0 0 342.402 4.196 50 0 EIAARN O=C(Cc1ccc2ccccc2c1)NCCSCc1ccsc1 ZINC000024192274 563997605 /nfs/dbraw/zinc/99/76/05/563997605.db2.gz OIRIKZGCSLEMQL-UHFFFAOYSA-N 0 0 341.501 4.493 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1OCCc2ccccc21 ZINC000136453859 563997617 /nfs/dbraw/zinc/99/76/17/563997617.db2.gz OTXGAABXSFNYPA-KRWDZBQOSA-N 0 0 336.416 4.063 50 0 EIAARN CC(C)(C)n1cc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)cn1 ZINC000136531441 563997662 /nfs/dbraw/zinc/99/76/62/563997662.db2.gz OLOQHNVSMZJUIM-UHFFFAOYSA-N 0 0 344.418 4.209 50 0 EIAARN COc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1C ZINC000252479420 563997685 /nfs/dbraw/zinc/99/76/85/563997685.db2.gz BEQAETDMAYGQGX-CYBMUJFWSA-N 0 0 330.350 4.198 50 0 EIAARN CC(C)(C)n1nc(C(=O)N2CC[C@H]2c2ccccc2F)cc1C1CC1 ZINC000252537515 563997921 /nfs/dbraw/zinc/99/79/21/563997921.db2.gz LMMLIDSDFXCOQP-KRWDZBQOSA-N 0 0 341.430 4.242 50 0 EIAARN Cc1cccc2cc3c(N)c(C(=O)NCc4ccccc4)sc3nc12 ZINC000000421678 563998295 /nfs/dbraw/zinc/99/82/95/563998295.db2.gz IVIZOPDCDVYJKL-UHFFFAOYSA-N 0 0 347.443 4.270 50 0 EIAARN COc1ccc2nc3sc(C(=O)N4CCC[C@H](C)C4)cc3cc2c1 ZINC000000428360 563998887 /nfs/dbraw/zinc/99/88/87/563998887.db2.gz WLQSEPZVMYVKHD-LBPRGKRZSA-N 0 0 340.448 4.330 50 0 EIAARN COc1cccc(CNC(=O)c2cc3cc4ccc(C)cc4nc3o2)c1 ZINC000000429034 563998917 /nfs/dbraw/zinc/99/89/17/563998917.db2.gz FSCHIPZZZVYGIO-UHFFFAOYSA-N 0 0 346.386 4.228 50 0 EIAARN COc1ccc(-c2nc3ncccn3c2Nc2ccccc2C)cc1 ZINC000000428777 563998923 /nfs/dbraw/zinc/99/89/23/563998923.db2.gz GJRURTUGKYJTJS-UHFFFAOYSA-N 0 0 330.391 4.457 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCN=C2SCc2ccccc2C)c1 ZINC000000429419 563999078 /nfs/dbraw/zinc/99/90/78/563999078.db2.gz SGLBPPVEWKFEJU-UHFFFAOYSA-N 0 0 338.476 4.357 50 0 EIAARN Cc1c(C(=O)NC2CCCCC2)sc2nc(-c3ccccc3)cn12 ZINC000000429797 563999107 /nfs/dbraw/zinc/99/91/07/563999107.db2.gz AJFCVSISRNOWTD-UHFFFAOYSA-N 0 0 339.464 4.434 50 0 EIAARN O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCCCCC1 ZINC000000429177 563999143 /nfs/dbraw/zinc/99/91/43/563999143.db2.gz ULQTUQFPNCQUIF-UHFFFAOYSA-N 0 0 347.414 4.476 50 0 EIAARN CCOc1ncccc1C(=O)Nc1ccc(N(CC)CC)c(Cl)c1 ZINC000000430442 563999371 /nfs/dbraw/zinc/99/93/71/563999371.db2.gz YPYRHKTTZRPNKD-UHFFFAOYSA-N 0 0 347.846 4.232 50 0 EIAARN COc1cccc(/C=C2/N=C(/C=C/c3ccc(Cl)cc3)OC2=O)c1 ZINC000000431102 563999401 /nfs/dbraw/zinc/99/94/01/563999401.db2.gz UKCASQDRBYDIEA-KQOXKNJESA-N 0 0 339.778 4.358 50 0 EIAARN COc1ccc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000000431361 563999456 /nfs/dbraw/zinc/99/94/56/563999456.db2.gz IAVKVRJNLHHWEL-MRXNPFEDSA-N 0 0 337.803 4.266 50 0 EIAARN O=C(NC1CCCCC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000000217198 563999594 /nfs/dbraw/zinc/99/95/94/563999594.db2.gz GQRGCYKCDMQXEZ-UHFFFAOYSA-N 0 0 331.419 4.359 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(C(C)(C)C)nn1C ZINC000077589890 563999996 /nfs/dbraw/zinc/99/99/96/563999996.db2.gz NGTNFVALMIXFLO-ZDUSSCGKSA-N 0 0 339.439 4.297 50 0 EIAARN C[C@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OC1CCCCC1 ZINC000000393986 564000162 /nfs/dbraw/zinc/00/01/62/564000162.db2.gz HYOWHFTWLDKFIT-NSHDSACASA-N 0 0 325.792 4.153 50 0 EIAARN Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)c(C)c1 ZINC000005196446 564000288 /nfs/dbraw/zinc/00/02/88/564000288.db2.gz 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/nfs/dbraw/zinc/00/29/37/564002937.db2.gz RDOBWENOTOZYCA-UHFFFAOYSA-N 0 0 338.176 4.126 50 0 EIAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccccn2)cc1 ZINC000005346142 564002948 /nfs/dbraw/zinc/00/29/48/564002948.db2.gz UTPIQUFHIMCJGM-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1C ZINC000005400685 564003622 /nfs/dbraw/zinc/00/36/22/564003622.db2.gz CHYYVTIFHMYUFT-CYBMUJFWSA-N 0 0 341.480 4.471 50 0 EIAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cccc(Cl)c1)CC2 ZINC000005422327 564003807 /nfs/dbraw/zinc/00/38/07/564003807.db2.gz ZDDYPIVSFKMRRG-LBPRGKRZSA-N 0 0 345.826 4.117 50 0 EIAARN Cc1ccc2nc(CSc3nnc(-c4ccccc4C)o3)cn2c1 ZINC000005434793 564003993 /nfs/dbraw/zinc/00/39/93/564003993.db2.gz NOZWXWZEATWSNU-UHFFFAOYSA-N 0 0 336.420 4.293 50 0 EIAARN Cc1ccc(NC(=O)c2c(F)cccc2F)cc1N1CCCCC1=O ZINC000005441757 564004037 /nfs/dbraw/zinc/00/40/37/564004037.db2.gz NSEWCDUYQDFXJW-UHFFFAOYSA-N 0 0 344.361 4.042 50 0 EIAARN Cc1ccccc1OCCOc1ccc(C=O)cc1Br ZINC000002875691 564004043 /nfs/dbraw/zinc/00/40/43/564004043.db2.gz HJCNSPWKPLTLNY-UHFFFAOYSA-N 0 0 335.197 4.028 50 0 EIAARN COCCCCN(Cc1ccccc1)C(=O)Nc1ccccc1C ZINC000062246117 564004067 /nfs/dbraw/zinc/00/40/67/564004067.db2.gz HJBBVTGQGKPSQE-UHFFFAOYSA-N 0 0 326.440 4.456 50 0 EIAARN COc1cccc(/C=C/C(=O)Oc2c(C)ccc(C)c2C)c1OC ZINC000003290581 564004274 /nfs/dbraw/zinc/00/42/74/564004274.db2.gz QGHWSMKXOOLVHZ-VAWYXSNFSA-N 0 0 326.392 4.248 50 0 EIAARN O=C(CSc1nc2cccnc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000005461484 564004359 /nfs/dbraw/zinc/00/43/59/564004359.db2.gz JVCJDEKMUWUOLD-UHFFFAOYSA-N 0 0 338.219 4.240 50 0 EIAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000005512164 564004864 /nfs/dbraw/zinc/00/48/64/564004864.db2.gz NGEWPXJKHRCJQI-UHFFFAOYSA-N 0 0 347.317 4.433 50 0 EIAARN CCCCCNc1nc2sc3c(c2c2ncnn21)C[C@H](C)CC3 ZINC000005556090 564005305 /nfs/dbraw/zinc/00/53/05/564005305.db2.gz GGCYAGAHWMNVKG-LLVKDONJSA-N 0 0 329.473 4.066 50 0 EIAARN COC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000004667910 564005344 /nfs/dbraw/zinc/00/53/44/564005344.db2.gz JGDURXGQAQNKCQ-WWNBULGVSA-N 0 0 328.408 4.257 50 0 EIAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COc1ncnc2ccccc21 ZINC000005560428 564005355 /nfs/dbraw/zinc/00/53/55/564005355.db2.gz HRBKKVPIEDQUTM-IIDMSEBBSA-N 0 0 342.439 4.013 50 0 EIAARN CCCCCCNc1nc2sc3c(c2c2ncnn21)CCCC3 ZINC000005557493 564005434 /nfs/dbraw/zinc/00/54/34/564005434.db2.gz DSADGNLXPOBUCY-UHFFFAOYSA-N 0 0 329.473 4.210 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000005574136 564005726 /nfs/dbraw/zinc/00/57/26/564005726.db2.gz WQFWFUSQSOBMSY-UHFFFAOYSA-N 0 0 348.324 4.085 50 0 EIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c(C)c1 ZINC000005576983 564005825 /nfs/dbraw/zinc/00/58/25/564005825.db2.gz UBSRZLBYXSICSH-UHFFFAOYSA-N 0 0 339.370 4.064 50 0 EIAARN CCn1c(C)cc(C(=O)COC(=O)c2oc3ccccc3c2C)c1C ZINC000005310495 564005889 /nfs/dbraw/zinc/00/58/89/564005889.db2.gz GGLVBCDPDRMNCE-UHFFFAOYSA-N 0 0 339.391 4.219 50 0 EIAARN CN(C)c1ccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)cc1 ZINC000005328596 564005948 /nfs/dbraw/zinc/00/59/48/564005948.db2.gz WVHJAYJZPBDYEN-UHFFFAOYSA-N 0 0 342.398 4.216 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000005615919 564006424 /nfs/dbraw/zinc/00/64/24/564006424.db2.gz COBPEXXHFYTKRF-UHFFFAOYSA-N 0 0 333.800 4.321 50 0 EIAARN Cc1ccc2[nH]c([C@H](NC(=O)c3ccc(F)cc3)C(C)C)nc2c1 ZINC000005626081 564006582 /nfs/dbraw/zinc/00/65/82/564006582.db2.gz GKTZGFZFUFKXLJ-QGZVFWFLSA-N 0 0 325.387 4.138 50 0 EIAARN C[C@@H](Sc1nc2ccccc2o1)C(=O)N1c2ccccc2C[C@H]1C ZINC000005628762 564006737 /nfs/dbraw/zinc/00/67/37/564006737.db2.gz ICUYXTJHZTXYRJ-CHWSQXEVSA-N 0 0 338.432 4.286 50 0 EIAARN C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1ccc(F)cc1 ZINC000008750429 564007145 /nfs/dbraw/zinc/00/71/45/564007145.db2.gz PLYUGTWJXSKDST-JTQLQIEISA-N 0 0 348.834 4.305 50 0 EIAARN Fc1cc(Br)cc([C@@H](CC2CC2)NCc2ccno2)c1 ZINC000275101743 564008582 /nfs/dbraw/zinc/00/85/82/564008582.db2.gz FLCUMKLSVBJCIL-OAHLLOKOSA-N 0 0 339.208 4.207 50 0 EIAARN CCOC(=O)c1ccc2nc(C)cc(NC(=O)c3cccs3)c2c1 ZINC000017306657 564011565 /nfs/dbraw/zinc/01/15/65/564011565.db2.gz SDTSIAQPLHQAIM-UHFFFAOYSA-N 0 0 340.404 4.034 50 0 EIAARN Cc1ccccc1CNC(=O)Cc1csc(-c2cccs2)n1 ZINC000017367224 564011763 /nfs/dbraw/zinc/01/17/63/564011763.db2.gz DLCOBJHLKWNMSA-UHFFFAOYSA-N 0 0 328.462 4.039 50 0 EIAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000000505686 564012476 /nfs/dbraw/zinc/01/24/76/564012476.db2.gz IWLWXIFVVMXNNL-HNNXBMFYSA-N 0 0 326.440 4.284 50 0 EIAARN Cc1c(Br)cccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000000409459 564012592 /nfs/dbraw/zinc/01/25/92/564012592.db2.gz RNOVAHXPFCDWLS-UONOGXRCSA-N 0 0 330.225 4.500 50 0 EIAARN Clc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1 ZINC000000426447 564012602 /nfs/dbraw/zinc/01/26/02/564012602.db2.gz OLTNXFHHIQGKAB-UHFFFAOYSA-N 0 0 335.798 4.081 50 0 EIAARN COc1ccc(Br)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000000447761 564012629 /nfs/dbraw/zinc/01/26/29/564012629.db2.gz XGLOTNGXVMCNOK-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000000454116 564012652 /nfs/dbraw/zinc/01/26/52/564012652.db2.gz KJZHWEPXSXTTEC-UHFFFAOYSA-N 0 0 330.796 4.213 50 0 EIAARN CO[C@@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 ZINC000000454214 564012655 /nfs/dbraw/zinc/01/26/55/564012655.db2.gz BUWMWJYAAHQHOX-OAHLLOKOSA-N 0 0 334.213 4.084 50 0 EIAARN CC1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1 ZINC000000559738 564012705 /nfs/dbraw/zinc/01/27/05/564012705.db2.gz KOLXDKNIPKAYCR-UHFFFAOYSA-N 0 0 329.831 4.224 50 0 EIAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCc2ccccc2)c1C ZINC000000575912 564012836 /nfs/dbraw/zinc/01/28/36/564012836.db2.gz WSASNOMINZAQBK-UHFFFAOYSA-N 0 0 331.481 4.079 50 0 EIAARN CN(Cc1ccccc1N1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000017743717 564012909 /nfs/dbraw/zinc/01/29/09/564012909.db2.gz HYPMTYCHRGOAIK-UHFFFAOYSA-N 0 0 341.430 4.480 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1cccs1 ZINC000017909508 564013248 /nfs/dbraw/zinc/01/32/48/564013248.db2.gz UDBXHOHEVBXXLO-JTQLQIEISA-N 0 0 344.263 4.181 50 0 EIAARN Cc1c(Cl)cccc1N1C(=S)N=NC1CCc1ccccc1 ZINC000006399486 564014011 /nfs/dbraw/zinc/01/40/11/564014011.db2.gz KXENIWRBFYGZCJ-UHFFFAOYSA-N 0 0 329.856 4.303 50 0 EIAARN Cc1ccccc1-c1nc(CC(=O)Nc2cccc(Cl)c2C)no1 ZINC000016578762 564014485 /nfs/dbraw/zinc/01/44/85/564014485.db2.gz OZKRNOXKUXBFOK-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc2c1CCCC2 ZINC000018116300 564018192 /nfs/dbraw/zinc/01/81/92/564018192.db2.gz FPLHFZDYTHQOHD-UHFFFAOYSA-N 0 0 347.418 4.012 50 0 EIAARN CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(C)cc1 ZINC000000499211 564018432 /nfs/dbraw/zinc/01/84/32/564018432.db2.gz OOODCMGCICLWGO-UHFFFAOYSA-N 0 0 334.371 4.205 50 0 EIAARN Cc1ccc(Oc2ccccc2)c(NC(=O)N(C)CC2CC(O)C2)c1 ZINC000190075345 564018759 /nfs/dbraw/zinc/01/87/59/564018759.db2.gz OQIXENMDXZIDLO-UHFFFAOYSA-N 0 0 340.423 4.022 50 0 EIAARN C[C@H]1C[C@H]1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000005693434 564019112 /nfs/dbraw/zinc/01/91/12/564019112.db2.gz NODMWGQCDYQKDU-XJKSGUPXSA-N 0 0 333.387 4.217 50 0 EIAARN O=C1c2ccccc2[C@@H]2N1c1ccccc1C(=O)N2c1ccccc1 ZINC000000506252 564019527 /nfs/dbraw/zinc/01/95/27/564019527.db2.gz MUXMMHQBAPZLMA-IBGZPJMESA-N 0 0 326.355 4.006 50 0 EIAARN O=C(/C=C/c1cccc(F)c1)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005704172 564019599 /nfs/dbraw/zinc/01/95/99/564019599.db2.gz IXCBRRZDRNLYMO-SNAWJCMRSA-N 0 0 342.410 4.168 50 0 EIAARN O=c1nc2n(c3ccccc13)CC/C2=C/c1c(F)cccc1Cl ZINC000102501314 564020112 /nfs/dbraw/zinc/02/01/12/564020112.db2.gz HWSSBWVVEWRBGS-KHPPLWFESA-N 0 0 326.758 4.133 50 0 EIAARN O=C1CCCC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3cccs3)C12 ZINC000102583713 564020393 /nfs/dbraw/zinc/02/03/93/564020393.db2.gz DLFRUCPDGMYGDI-NSHDSACASA-N 0 0 340.330 4.030 50 0 EIAARN O=C1C[C@@H](c2ccc3c(c2)OCCO3)Oc2c3ccccc3ccc21 ZINC000000519086 564020551 /nfs/dbraw/zinc/02/05/51/564020551.db2.gz SOAZYYUSIFAIBW-IBGZPJMESA-N 0 0 332.355 4.318 50 0 biogenic EIAARN CC(C)[C@H](N)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000000523670 564021187 /nfs/dbraw/zinc/02/11/87/564021187.db2.gz LUMMOJVVZFNNRB-NSHDSACASA-N 0 0 332.256 4.325 50 0 EIAARN CC(C)Cn1nc(NC(=O)c2ccccc2)c2cc3ccccc3nc21 ZINC000000527461 564021260 /nfs/dbraw/zinc/02/12/60/564021260.db2.gz XVAIXWCWRNIKNI-UHFFFAOYSA-N 0 0 344.418 4.493 50 0 EIAARN CCOC(=O)c1c(NC(=O)CC)sc2c1CCc1ccccc1-2 ZINC000000528662 564021359 /nfs/dbraw/zinc/02/13/59/564021359.db2.gz HADMZZMAUZSIOL-UHFFFAOYSA-N 0 0 329.421 4.039 50 0 EIAARN c1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 ZINC000000532746 564021575 /nfs/dbraw/zinc/02/15/75/564021575.db2.gz VMVYODJUSYWPAH-UHFFFAOYSA-N 0 0 338.461 4.120 50 0 EIAARN CSc1nc2sc3c(c2c(SC)n1)C[C@H](C(C)C)OC3 ZINC000000535208 564022061 /nfs/dbraw/zinc/02/20/61/564022061.db2.gz XVPZXQPNEDIPNB-SECBINFHSA-N 0 0 326.512 4.232 50 0 EIAARN O=C(Nc1cccnc1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000000539522 564022303 /nfs/dbraw/zinc/02/23/03/564022303.db2.gz KNCCBDFDBNPWBA-UHFFFAOYSA-N 0 0 342.354 4.107 50 0 EIAARN Cc1ccccc1-c1nc2nc3ccccc3nc2n1C[C@H]1CCCO1 ZINC000000542381 564022424 /nfs/dbraw/zinc/02/24/24/564022424.db2.gz LCAYOERPBCHEAT-OAHLLOKOSA-N 0 0 344.418 4.134 50 0 EIAARN O=C(Nc1ncnc2sc3c(c21)CCCCC3)c1ccc(F)cc1 ZINC000000546124 564022753 /nfs/dbraw/zinc/02/27/53/564022753.db2.gz CBZBMUDELIVGRR-UHFFFAOYSA-N 0 0 341.411 4.352 50 0 EIAARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N4CCOCC4)c3c2C1 ZINC000000547817 564022790 /nfs/dbraw/zinc/02/27/90/564022790.db2.gz FDFGRMZBWCYFJZ-ZDUSSCGKSA-N 0 0 345.512 4.069 50 0 EIAARN CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 ZINC000000547687 564022803 /nfs/dbraw/zinc/02/28/03/564022803.db2.gz AOMQCAADFKAUDM-UHFFFAOYSA-N 0 0 342.489 4.356 50 0 EIAARN CC(C)NC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000024546587 564023219 /nfs/dbraw/zinc/02/32/19/564023219.db2.gz MXOYXXYBCDNTMP-UHFFFAOYSA-N 0 0 349.793 4.261 50 0 EIAARN CCC(=O)c1cn(CC(=O)Nc2c(C)cccc2C)c2ccccc12 ZINC000000560812 564023286 /nfs/dbraw/zinc/02/32/86/564023286.db2.gz BXYJJISQEJZDBG-UHFFFAOYSA-N 0 0 334.419 4.490 50 0 EIAARN Cc1c(CC(=O)Nc2c(C)cccc2C(C)C)nnn1-c1ccccc1 ZINC000057191787 564024322 /nfs/dbraw/zinc/02/43/22/564024322.db2.gz QGEMDNVMYXSEPY-UHFFFAOYSA-N 0 0 348.450 4.189 50 0 EIAARN O=C1c2ccccc2[C@H]2N1c1ccccc1C(=O)N2c1ccccc1 ZINC000005737418 564024699 /nfs/dbraw/zinc/02/46/99/564024699.db2.gz MUXMMHQBAPZLMA-LJQANCHMSA-N 0 0 326.355 4.006 50 0 EIAARN Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1F ZINC000006471934 564025149 /nfs/dbraw/zinc/02/51/49/564025149.db2.gz KBNARCPOBZOLTJ-UHFFFAOYSA-N 0 0 335.806 4.263 50 0 EIAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)Cc3ccccc3)n2c1 ZINC000024595124 564025322 /nfs/dbraw/zinc/02/53/22/564025322.db2.gz XPAPHDMBZNRXAB-UHFFFAOYSA-N 0 0 341.414 4.491 50 0 EIAARN CC(C)(C)c1nnc(COC(=O)c2cc3c(s2)CCCCC3)o1 ZINC000046838353 564025413 /nfs/dbraw/zinc/02/54/13/564025413.db2.gz MWLDTVHBWWADJJ-UHFFFAOYSA-N 0 0 334.441 4.055 50 0 EIAARN CCc1c(C)nc2nc(-c3ccco3)nn2c1Nc1cccc(C)c1 ZINC000046913799 564025500 /nfs/dbraw/zinc/02/55/00/564025500.db2.gz APDRCJCPMNENDB-UHFFFAOYSA-N 0 0 333.395 4.307 50 0 EIAARN COC(=O)c1c(Nc2ccc(OC)cc2)onc1-c1ccc(F)cc1 ZINC000046914423 564025581 /nfs/dbraw/zinc/02/55/81/564025581.db2.gz JAMMRSURPVNWKZ-UHFFFAOYSA-N 0 0 342.326 4.020 50 0 EIAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)Cc1c(C)noc1C ZINC000046960687 564025627 /nfs/dbraw/zinc/02/56/27/564025627.db2.gz LVJBYWKCBVXJAU-MRXNPFEDSA-N 0 0 345.443 4.048 50 0 EIAARN Cc1cc([C@@H]2CCCN2Cc2coc(-c3ccc(F)cc3)n2)on1 ZINC000047273770 564026074 /nfs/dbraw/zinc/02/60/74/564026074.db2.gz MFVHMHBQIHKHHM-INIZCTEOSA-N 0 0 327.359 4.114 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000106523364 564026430 /nfs/dbraw/zinc/02/64/30/564026430.db2.gz YPWKBTDVBFAZMU-WBAXXEDZSA-N 0 0 346.471 4.129 50 0 EIAARN Cc1nn(C)c(NC(=O)c2csc(-c3ccccc3Cl)n2)c1C ZINC000106718775 564026611 /nfs/dbraw/zinc/02/66/11/564026611.db2.gz GFZXOGJJLHVXHE-UHFFFAOYSA-N 0 0 346.843 4.066 50 0 EIAARN O=C(NCc1ccc(Br)cc1)Nc1cccc(Cl)c1 ZINC000044845724 564027493 /nfs/dbraw/zinc/02/74/93/564027493.db2.gz KAXMDCOKRADKAO-UHFFFAOYSA-N 0 0 339.620 4.424 50 0 EIAARN O=C(CC[C@@H]1CCCO1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000044911839 564027686 /nfs/dbraw/zinc/02/76/86/564027686.db2.gz QSEOCKROMSNGHM-HOCLYGCPSA-N 0 0 344.480 4.309 50 0 EIAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1noc2ccccc21 ZINC000044907389 564027696 /nfs/dbraw/zinc/02/76/96/564027696.db2.gz JWGHMLBTNAEHGP-CYBMUJFWSA-N 0 0 334.375 4.336 50 0 EIAARN COc1ccc(CCn2c3ccc(F)cc3c3c2CCN(C)C3)cc1 ZINC000045336542 564028380 /nfs/dbraw/zinc/02/83/80/564028380.db2.gz PWXLJFASAVPIDI-UHFFFAOYSA-N 0 0 338.426 4.020 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)N[C@H]1CCSc2ccccc21 ZINC000045552114 564028539 /nfs/dbraw/zinc/02/85/39/564028539.db2.gz USMNKRPVFNTAEV-HOTGVXAUSA-N 0 0 340.448 4.047 50 0 EIAARN CCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccccc1C ZINC000045896276 564028745 /nfs/dbraw/zinc/02/87/45/564028745.db2.gz OFLBJWYEBUZROS-UHFFFAOYSA-N 0 0 337.379 4.177 50 0 EIAARN CCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000045929000 564028927 /nfs/dbraw/zinc/02/89/27/564028927.db2.gz AWJCZLSDIDGXRY-UHFFFAOYSA-N 0 0 338.432 4.485 50 0 EIAARN Cc1cccc(NC(=O)NCc2ccc(OCc3cccnc3)cc2)c1 ZINC000045949556 564028968 /nfs/dbraw/zinc/02/89/68/564028968.db2.gz ONLDAWXMWXPLNU-UHFFFAOYSA-N 0 0 347.418 4.291 50 0 EIAARN CC(C)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 ZINC000045965530 564029015 /nfs/dbraw/zinc/02/90/15/564029015.db2.gz JMMYYWSGARDZKP-UHFFFAOYSA-N 0 0 344.528 4.060 50 0 EIAARN CCCn1c2ccc(NC(=O)Nc3cccc(C)c3C)cc2oc1=O ZINC000046010178 564029126 /nfs/dbraw/zinc/02/91/26/564029126.db2.gz OXIFUGGQWNLQIL-UHFFFAOYSA-N 0 0 339.395 4.265 50 0 EIAARN CCCCOc1ccc2cc(C(=O)N[C@H](C)c3cccnc3)[nH]c2c1 ZINC000047752319 564029725 /nfs/dbraw/zinc/02/97/25/564029725.db2.gz FYYKGEJNGLVNAS-CQSZACIVSA-N 0 0 337.423 4.233 50 0 EIAARN CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000048065037 564029887 /nfs/dbraw/zinc/02/98/87/564029887.db2.gz ZIBLVNHYRNFLDJ-BCNIOPEESA-N 0 0 342.395 4.047 50 0 EIAARN Cc1ccc(CCC(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)c1 ZINC000048202043 564030018 /nfs/dbraw/zinc/03/00/18/564030018.db2.gz QNJIHUJVFSHCRC-UHFFFAOYSA-N 0 0 347.418 4.457 50 0 EIAARN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccccn1 ZINC000048189228 564030041 /nfs/dbraw/zinc/03/00/41/564030041.db2.gz UVVSYCHRICKAKL-JTQLQIEISA-N 0 0 341.263 4.185 50 0 EIAARN O=C(Nc1cccc(-c2cnco2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000048205351 564030069 /nfs/dbraw/zinc/03/00/69/564030069.db2.gz IJSZXOFIHHIXQM-UHFFFAOYSA-N 0 0 348.280 4.493 50 0 EIAARN COc1ccc(-c2nc(CN(Cc3ccccn3)C(C)C)co2)cc1 ZINC000048253184 564030500 /nfs/dbraw/zinc/03/05/00/564030500.db2.gz GKBXFDNSJJAYRA-UHFFFAOYSA-N 0 0 337.423 4.156 50 0 EIAARN Cc1ccc(NC(=O)NC2CCCCC2)c(-c2n[nH]c(C3CC3)n2)c1 ZINC000048287562 564030519 /nfs/dbraw/zinc/03/05/19/564030519.db2.gz FUKJLKAIOQYAIM-UHFFFAOYSA-N 0 0 339.443 4.112 50 0 EIAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC1(C)CCCC1 ZINC000048286257 564030699 /nfs/dbraw/zinc/03/06/99/564030699.db2.gz QGJHSGMGZCENSM-UHFFFAOYSA-N 0 0 345.874 4.134 50 0 EIAARN CCCc1noc([C@@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000048333570 564031104 /nfs/dbraw/zinc/03/11/04/564031104.db2.gz RTTVCZHJMCFJPQ-KGLIPLIRSA-N 0 0 340.427 4.104 50 0 EIAARN O=C1CCCN1Cc1ccc(CNc2nccc3sccc32)cc1 ZINC000048331427 564031173 /nfs/dbraw/zinc/03/11/73/564031173.db2.gz RQBWGGREMRGWAC-UHFFFAOYSA-N 0 0 337.448 4.031 50 0 EIAARN Cc1csc(CNC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000048342138 564031249 /nfs/dbraw/zinc/03/12/49/564031249.db2.gz OTFXJRRFQILWHE-ABAIWWIYSA-N 0 0 345.468 4.042 50 0 EIAARN C[C@@H](OCC1CC1)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000048374176 564031564 /nfs/dbraw/zinc/03/15/64/564031564.db2.gz KLHPTSQPPMZLKN-CQSZACIVSA-N 0 0 342.464 4.128 50 0 EIAARN Cc1ccc(OCCSCCC(=O)Nc2ccccc2F)cc1 ZINC000048373972 564031644 /nfs/dbraw/zinc/03/16/44/564031644.db2.gz JZBDXZMPZYMEAV-UHFFFAOYSA-N 0 0 333.428 4.275 50 0 EIAARN CN(C(=O)c1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1 ZINC000048657907 564032022 /nfs/dbraw/zinc/03/20/22/564032022.db2.gz ZSZATRKPFIGTBR-UHFFFAOYSA-N 0 0 333.387 4.278 50 0 EIAARN O=C(CCC(=O)N1CCC[C@H]1c1cccs1)c1ccc(F)cc1F ZINC000048678976 564032028 /nfs/dbraw/zinc/03/20/28/564032028.db2.gz LPTUVZREWNYOSO-HNNXBMFYSA-N 0 0 349.402 4.353 50 0 EIAARN C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc(O)c1 ZINC000112458043 564032072 /nfs/dbraw/zinc/03/20/72/564032072.db2.gz ZSHISBYKWKHFDU-HNAYVOBHSA-N 0 0 339.439 4.175 50 0 EIAARN CC(C)(C)c1nc(CS(=O)(=O)C/C=C/c2ccccc2)cs1 ZINC000048712280 564032111 /nfs/dbraw/zinc/03/21/11/564032111.db2.gz CVOHLACAMICZHX-JXMROGBWSA-N 0 0 335.494 4.069 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCC1CC1 ZINC000048738180 564032152 /nfs/dbraw/zinc/03/21/52/564032152.db2.gz ZVYWRUMXSYTSBD-UHFFFAOYSA-N 0 0 338.411 4.171 50 0 EIAARN Cc1ccc(N2C[C@@H](c3noc(-c4ccc(C)c(C)c4)n3)CC2=O)cc1 ZINC000049060456 564032489 /nfs/dbraw/zinc/03/24/89/564032489.db2.gz GNMDCIKIJJGOHI-KRWDZBQOSA-N 0 0 347.418 4.182 50 0 EIAARN O=C(C[C@H]1OCCc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000114996081 564033028 /nfs/dbraw/zinc/03/30/28/564033028.db2.gz VUKBHHMRKUEMSP-MRXNPFEDSA-N 0 0 335.325 4.348 50 0 EIAARN O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1Cc1cc(F)ccc1O2 ZINC000006748548 564033420 /nfs/dbraw/zinc/03/34/20/564033420.db2.gz JSNBYHGXDHYXOQ-UHFFFAOYSA-N 0 0 328.730 4.338 50 0 EIAARN Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4ccccc4)nc3c12 ZINC000006758845 564033479 /nfs/dbraw/zinc/03/34/79/564033479.db2.gz VLUODCQZLOURDE-UHFFFAOYSA-N 0 0 343.390 4.004 50 0 EIAARN O=C1NC2(CCCCC2)[C@H]2CCCC[C@]2(O)N1c1ccc(Cl)cc1 ZINC000012322822 564034107 /nfs/dbraw/zinc/03/41/07/564034107.db2.gz XVTCQWXQPXUOLT-VQIMIIECSA-N 0 0 348.874 4.451 50 0 EIAARN C[C@H](Cc1nc(-c2c[nH]c3ncccc23)cs1)n1cc(Cl)cn1 ZINC000342411820 564034293 /nfs/dbraw/zinc/03/42/93/564034293.db2.gz IQEGIPDPHFXCGB-SNVBAGLBSA-N 0 0 343.843 4.340 50 0 EIAARN Cc1cc(COC(=O)/C=C/c2ccc(-c3ccccc3)s2)no1 ZINC000007420595 564034345 /nfs/dbraw/zinc/03/43/45/564034345.db2.gz JJDYCSPHXBXWDN-CSKARUKUSA-N 0 0 325.389 4.468 50 0 EIAARN Cc1ccc2cc(COc3ccc(C(N)=O)cc3)c(Cl)nc2c1C ZINC000007510017 564034393 /nfs/dbraw/zinc/03/43/93/564034393.db2.gz YEOVRGAIDPPFFY-UHFFFAOYSA-N 0 0 340.810 4.183 50 0 EIAARN O=C(CSc1cccs1)Nc1ccc(Br)cc1 ZINC000005770580 564034457 /nfs/dbraw/zinc/03/44/57/564034457.db2.gz OMRKZGFACVWIAV-UHFFFAOYSA-N 0 0 328.256 4.241 50 0 EIAARN Cn1ccc2cc(C(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)ccc21 ZINC000604419402 564034865 /nfs/dbraw/zinc/03/48/65/564034865.db2.gz JTXUAVDTJDOYDX-LJQANCHMSA-N 0 0 343.430 4.467 50 0 EIAARN CN(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(Cl)s1 ZINC000008159315 564034897 /nfs/dbraw/zinc/03/48/97/564034897.db2.gz ZUOWQIGBRSRFHZ-UHFFFAOYSA-N 0 0 329.252 4.125 50 0 EIAARN Cc1nccn1CC[C@@H](NC(=O)C1CCCCC1)c1ccccc1 ZINC000219641020 564035169 /nfs/dbraw/zinc/03/51/69/564035169.db2.gz ACRHZEIBRQKFJF-LJQANCHMSA-N 0 0 325.456 4.019 50 0 EIAARN c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1COc2ccccc2O1 ZINC000058121833 564035438 /nfs/dbraw/zinc/03/54/38/564035438.db2.gz RPZIYOZJKZFRQS-HNNXBMFYSA-N 0 0 329.399 4.186 50 0 EIAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1F ZINC000058167682 564035686 /nfs/dbraw/zinc/03/56/86/564035686.db2.gz VTASMTVPBZESEN-UHFFFAOYSA-N 0 0 334.394 4.143 50 0 EIAARN O=C(c1ccccc1-c1ccccc1)N1CCC(c2ccncn2)CC1 ZINC000220320919 564035872 /nfs/dbraw/zinc/03/58/72/564035872.db2.gz HZGFOTDVMLSOJH-UHFFFAOYSA-N 0 0 343.430 4.163 50 0 EIAARN CN(C(=O)CCc1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[C@@H]1O ZINC000220246902 564035878 /nfs/dbraw/zinc/03/58/78/564035878.db2.gz ZGBOJRSAVKLCAV-RTWAWAEBSA-N 0 0 337.463 4.048 50 0 EIAARN CCCc1ccc(-c2ccc(C(=O)N3CC[C@@H](COC)C3)cc2)cc1 ZINC000220667388 564035967 /nfs/dbraw/zinc/03/59/67/564035967.db2.gz GOIKSRPDXHFLJV-GOSISDBHSA-N 0 0 337.463 4.415 50 0 EIAARN COc1ccc(C)cc1CC(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000032843948 564036223 /nfs/dbraw/zinc/03/62/23/564036223.db2.gz BCQMDMSVOAYNNU-UHFFFAOYSA-N 0 0 327.424 4.188 50 0 EIAARN O=C(Cc1ccccc1Cl)N1CCC(C(=O)c2ccccc2)CC1 ZINC000032876333 564036239 /nfs/dbraw/zinc/03/62/39/564036239.db2.gz ANEDFQFYXKGIRU-UHFFFAOYSA-N 0 0 341.838 4.004 50 0 EIAARN Nc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccccc1Cl ZINC000032947894 564036270 /nfs/dbraw/zinc/03/62/70/564036270.db2.gz MTJHAHXGTARDSV-UHFFFAOYSA-N 0 0 347.802 4.492 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)c2cccc(Cl)c2)oc2c1C(=O)CCC2 ZINC000032915791 564036323 /nfs/dbraw/zinc/03/63/23/564036323.db2.gz UXHZPJSEADBLOT-NSHDSACASA-N 0 0 331.799 4.251 50 0 EIAARN CC(C)CNC(=O)Nc1cccc(-c2noc(-c3ccccc3)n2)c1 ZINC000033257575 564036603 /nfs/dbraw/zinc/03/66/03/564036603.db2.gz DMSGNGZSVRCWIN-UHFFFAOYSA-N 0 0 336.395 4.181 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)cc1 ZINC000033257842 564036635 /nfs/dbraw/zinc/03/66/35/564036635.db2.gz ISLTXKJWLIDHTD-UHFFFAOYSA-N 0 0 347.418 4.338 50 0 EIAARN CCOc1ccccc1/C=C/C(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000025108745 564036863 /nfs/dbraw/zinc/03/68/63/564036863.db2.gz JYHRHPPBXCQOEZ-IYOXOMEYSA-N 0 0 339.435 4.327 50 0 EIAARN CC[C@H](NC(=O)C1(c2ccc(OC)cc2)CCCC1)c1cccnc1 ZINC000222502475 564036883 /nfs/dbraw/zinc/03/68/83/564036883.db2.gz ZIWJWTKQZHPQQX-IBGZPJMESA-N 0 0 338.451 4.170 50 0 EIAARN Cc1cc(CNC(=O)C[C@H](Cc2ccccc2)c2ccco2)ccn1 ZINC000223432817 564039977 /nfs/dbraw/zinc/03/99/77/564039977.db2.gz HXOPBNASFGBCKV-IBGZPJMESA-N 0 0 334.419 4.016 50 0 EIAARN C[C@@H](NC(=O)N(C)C[C@H](C)c1nccs1)c1ccccc1Cl ZINC000182050529 564040574 /nfs/dbraw/zinc/04/05/74/564040574.db2.gz AQFBCMJBUZGSKI-NWDGAFQWSA-N 0 0 337.876 4.303 50 0 EIAARN O=C(Nc1ccc(OC(F)F)cc1)c1cc2ccccc2cc1O ZINC000026982176 564041015 /nfs/dbraw/zinc/04/10/15/564041015.db2.gz RXBNAFSPVKDDJI-UHFFFAOYSA-N 0 0 329.302 4.399 50 0 EIAARN Cc1nc(CO[C@H]2CCN([C@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 ZINC000225401019 564046450 /nfs/dbraw/zinc/04/64/50/564046450.db2.gz GLUPPYLBLSRCQS-DOMZBBRYSA-N 0 0 349.500 4.089 50 0 EIAARN Cc1cccc(Cl)c1CC(=O)O[C@H](C)c1nc2ccccc2n1C ZINC000225418264 564046555 /nfs/dbraw/zinc/04/65/55/564046555.db2.gz XDQAHGCKIBSKCL-CYBMUJFWSA-N 0 0 342.826 4.382 50 0 EIAARN Cc1ccc(-c2nnc(NCc3cc(F)c(F)cc3F)o2)c(C)c1 ZINC000225430730 564046686 /nfs/dbraw/zinc/04/66/86/564046686.db2.gz KQNWCCTUINNNJR-UHFFFAOYSA-N 0 0 333.313 4.383 50 0 EIAARN CC(=O)N1CCc2c1cccc2NCc1ccc2nc(C)ccc2c1 ZINC000225465733 564047025 /nfs/dbraw/zinc/04/70/25/564047025.db2.gz WCYMZBHNXIJYHR-UHFFFAOYSA-N 0 0 331.419 4.064 50 0 EIAARN O=C(N1CCC[C@H](c2nccs2)C1)C1(c2cccc(F)c2)CCC1 ZINC000225543378 564047693 /nfs/dbraw/zinc/04/76/93/564047693.db2.gz LGQDAQVMOYIBQI-AWEZNQCLSA-N 0 0 344.455 4.110 50 0 EIAARN O=C(Cc1coc(-c2cccs2)n1)Nc1cccc2cnccc21 ZINC000225550948 564047746 /nfs/dbraw/zinc/04/77/46/564047746.db2.gz ZMWOEQJJMUUMOY-UHFFFAOYSA-N 0 0 335.388 4.133 50 0 EIAARN Cc1[nH]c2ccc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc2c1C ZINC000029277878 564047941 /nfs/dbraw/zinc/04/79/41/564047941.db2.gz YYMPTZHFMOJLST-UHFFFAOYSA-N 0 0 330.391 4.427 50 0 EIAARN COCC1(Cc2noc([C@@H]3C[C@@H]3c3c(F)cccc3Cl)n2)CC1 ZINC000225600184 564048253 /nfs/dbraw/zinc/04/82/53/564048253.db2.gz TUEQFEQSUDWWDQ-WDEREUQCSA-N 0 0 336.794 4.102 50 0 EIAARN CC[C@@H](C)c1noc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000041122060 564050051 /nfs/dbraw/zinc/05/00/51/564050051.db2.gz 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CC1CCC(N(C)C(=O)c2cc3c(nc4sccn34)s2)CC1 ZINC000025627959 564057983 /nfs/dbraw/zinc/05/79/83/564057983.db2.gz FSBTVNWRJCLKAE-UHFFFAOYSA-N 0 0 333.482 4.261 50 0 EIAARN Cc1cc(C)n(C(=O)CCCOc2ccc(Cl)cc2Cl)n1 ZINC000002069262 564058221 /nfs/dbraw/zinc/05/82/21/564058221.db2.gz KEUZUSWFDDTHQZ-UHFFFAOYSA-N 0 0 327.211 4.306 50 0 EIAARN CCc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000012542618 564058742 /nfs/dbraw/zinc/05/87/42/564058742.db2.gz QNTWEDSWNAFNKL-GFCCVEGCSA-N 0 0 334.366 4.290 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000044041259 564059304 /nfs/dbraw/zinc/05/93/04/564059304.db2.gz VISWITWHZXECEO-ZDUSSCGKSA-N 0 0 346.386 4.108 50 0 EIAARN O=C(OCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1 ZINC000003513614 564059892 /nfs/dbraw/zinc/05/98/92/564059892.db2.gz UNXNSTVXYJQDIK-UHFFFAOYSA-N 0 0 327.767 4.124 50 0 EIAARN O=C(NCCCn1ccc2ccccc21)c1cc(Cl)ccc1F ZINC000012597941 564060307 /nfs/dbraw/zinc/06/03/07/564060307.db2.gz UQLTUTKVUJBIDI-UHFFFAOYSA-N 0 0 330.790 4.254 50 0 EIAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc(Br)c1)C2 ZINC000012618217 564060682 /nfs/dbraw/zinc/06/06/82/564060682.db2.gz CQAIECOEXRLLDF-OAHLLOKOSA-N 0 0 348.265 4.413 50 0 EIAARN CC(C)c1ccc([C@H](CCO)NC(=O)N(C)Cc2ccsc2)cc1 ZINC000534660289 564061496 /nfs/dbraw/zinc/06/14/96/564061496.db2.gz WMQMCCNXNJZVRL-SFHVURJKSA-N 0 0 346.496 4.137 50 0 EIAARN CC[C@H](NC(=O)N(CC)Cc1ccc(SC)cc1)c1cccnc1 ZINC000534669734 564061548 /nfs/dbraw/zinc/06/15/48/564061548.db2.gz LKPKQOGOUAEEOB-SFHVURJKSA-N 0 0 343.496 4.486 50 0 EIAARN Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1N1CCCC1=O ZINC000005440673 564062417 /nfs/dbraw/zinc/06/24/17/564062417.db2.gz XDBIWUKJOQGCGV-UHFFFAOYSA-N 0 0 346.789 4.167 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCCC1=O ZINC000005441384 564062458 /nfs/dbraw/zinc/06/24/58/564062458.db2.gz KTIVDBGBEWYLCN-UHFFFAOYSA-N 0 0 342.826 4.418 50 0 EIAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)cs2)cc1 ZINC000012679865 564062578 /nfs/dbraw/zinc/06/25/78/564062578.db2.gz MBYFRSPOTJEJHZ-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 ZINC000001240963 564062634 /nfs/dbraw/zinc/06/26/34/564062634.db2.gz SIIASTIMVKRMRA-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1ccc(-c2nnco2)cc1 ZINC000012684492 564062661 /nfs/dbraw/zinc/06/26/61/564062661.db2.gz YIWGAJDTSGWNSJ-CYBMUJFWSA-N 0 0 347.374 4.177 50 0 EIAARN Cc1onc(-c2ccccc2)c1C1N=NC(=S)N1c1ccc(C)cc1 ZINC000001256146 564062746 /nfs/dbraw/zinc/06/27/46/564062746.db2.gz MMAZNGNGGCMZLU-UHFFFAOYSA-N 0 0 348.431 4.495 50 0 EIAARN CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1C ZINC000001260958 564062793 /nfs/dbraw/zinc/06/27/93/564062793.db2.gz RMACBCLPKXSKBY-UHFFFAOYSA-N 0 0 348.446 4.197 50 0 EIAARN CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1 ZINC000001277713 564062849 /nfs/dbraw/zinc/06/28/49/564062849.db2.gz JRQAPZZAWWKLHC-UHFFFAOYSA-N 0 0 339.461 4.095 50 0 EIAARN C[C@@H](NCc1nccn1Cc1ccccc1)c1cc(F)cc(F)c1 ZINC000129454374 564063083 /nfs/dbraw/zinc/06/30/83/564063083.db2.gz ULVCCLGGFDAOJJ-CQSZACIVSA-N 0 0 327.378 4.060 50 0 EIAARN COc1ccc(OC)c(CN(C(=O)c2ccc(C)cc2C)C2CC2)c1 ZINC000025804330 564063373 /nfs/dbraw/zinc/06/33/73/564063373.db2.gz DHPLYNQAKRDUCN-UHFFFAOYSA-N 0 0 339.435 4.125 50 0 EIAARN Cc1cc2sc(NC(=O)N(C)[C@H](C)c3cccnc3)nc2s1 ZINC000083580862 564063412 /nfs/dbraw/zinc/06/34/12/564063412.db2.gz WUFHINWXXIOUHY-SNVBAGLBSA-N 0 0 332.454 4.286 50 0 EIAARN CCc1nc(NC(=O)c2cccn2Cc2cccs2)sc1C ZINC000083820184 564063498 /nfs/dbraw/zinc/06/34/98/564063498.db2.gz JFQBTYJGVPRMOY-UHFFFAOYSA-N 0 0 331.466 4.178 50 0 EIAARN Cc1cc(O)ccc1NC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000189782057 564064143 /nfs/dbraw/zinc/06/41/43/564064143.db2.gz AUDYPTLQYPPEQK-UHFFFAOYSA-N 0 0 349.390 4.319 50 0 EIAARN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000001385921 564064200 /nfs/dbraw/zinc/06/42/00/564064200.db2.gz GLOWGQDIXUPDIH-SECBINFHSA-N 0 0 334.206 4.361 50 0 EIAARN O=C1c2ccccc2CCC12COC(c1ccc(Cl)cc1)OC2 ZINC000001387886 564064265 /nfs/dbraw/zinc/06/42/65/564064265.db2.gz ZNXCAMQCPITXQQ-UHFFFAOYSA-N 0 0 328.795 4.201 50 0 EIAARN O=C(Nc1ccc(-c2ccc(Cl)cc2)oc1=O)c1ccccc1 ZINC000001389081 564064330 /nfs/dbraw/zinc/06/43/30/564064330.db2.gz WHHIQCKUGOYCJM-UHFFFAOYSA-N 0 0 325.751 4.213 50 0 EIAARN O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 ZINC000001389516 564064373 /nfs/dbraw/zinc/06/43/73/564064373.db2.gz UURHJBXXGSRUGN-UHFFFAOYSA-N 0 0 344.439 4.385 50 0 EIAARN Cn1nc(C(F)(F)F)c2cc(-c3nnc(C(C)(C)C)o3)sc21 ZINC000001392374 564064555 /nfs/dbraw/zinc/06/45/55/564064555.db2.gz HUEGORWPOHKSFJ-UHFFFAOYSA-N 0 0 330.335 4.001 50 0 EIAARN Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)Nc1ccccc1 ZINC000001401140 564064952 /nfs/dbraw/zinc/06/49/52/564064952.db2.gz UEARHLJVRQWFNG-UHFFFAOYSA-N 0 0 341.798 4.427 50 0 EIAARN COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C)c(C)c1 ZINC000012740192 564064996 /nfs/dbraw/zinc/06/49/96/564064996.db2.gz RCRFHHJDTUUWOS-UHFFFAOYSA-N 0 0 325.408 4.222 50 0 EIAARN COc1cc(OC)nc(Oc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000001403352 564065081 /nfs/dbraw/zinc/06/50/81/564065081.db2.gz YZQDVRBOKZNWMU-UHFFFAOYSA-N 0 0 335.574 4.246 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)Cc1ccsc1 ZINC000012743117 564065498 /nfs/dbraw/zinc/06/54/98/564065498.db2.gz SGVQNUIBOBISNN-NSHDSACASA-N 0 0 342.386 4.226 50 0 EIAARN Cc1noc(C)c1NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21 ZINC000084025561 564065849 /nfs/dbraw/zinc/06/58/49/564065849.db2.gz VZOZGXJOTQOLJU-UHFFFAOYSA-N 0 0 340.383 4.081 50 0 EIAARN COc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3N)n2)cc1 ZINC000001415882 564065951 /nfs/dbraw/zinc/06/59/51/564065951.db2.gz GUMIEMPZFFYOPM-UHFFFAOYSA-N 0 0 348.431 4.254 50 0 EIAARN Cc1cc(CNC(=O)c2cc(C)nc3ccccc32)c2ccccc2n1 ZINC000001426795 564066781 /nfs/dbraw/zinc/06/67/81/564066781.db2.gz ITDAPPYJIQAZAX-UHFFFAOYSA-N 0 0 341.414 4.330 50 0 EIAARN Cc1nc2c(c(NC(=O)c3ccc(Cl)cc3)nn2C)c(C)c1Cl ZINC000001430833 564066940 /nfs/dbraw/zinc/06/69/40/564066940.db2.gz MULOYWAAXLXMEF-UHFFFAOYSA-N 0 0 349.221 4.144 50 0 EIAARN CC(C)(C)[C@H](NC(=O)c1ccn(-c2ccccc2)n1)c1cccs1 ZINC000084169264 564067106 /nfs/dbraw/zinc/06/71/06/564067106.db2.gz PYZVIXRXAGVXND-QGZVFWFLSA-N 0 0 339.464 4.451 50 0 EIAARN CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000084169742 564067140 /nfs/dbraw/zinc/06/71/40/564067140.db2.gz SHRAZZVTFAYZCR-OAHLLOKOSA-N 0 0 328.416 4.169 50 0 EIAARN CN(CCOc1ccccc1F)C(=O)c1cc2c(cccc2Cl)[nH]1 ZINC000012756321 564067211 /nfs/dbraw/zinc/06/72/11/564067211.db2.gz KSKOOVZFMVQVKA-UHFFFAOYSA-N 0 0 346.789 4.111 50 0 EIAARN COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000012755499 564067218 /nfs/dbraw/zinc/06/72/18/564067218.db2.gz HCQZVGDFAAKFLB-IBGZPJMESA-N 0 0 349.434 4.391 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)cc1C ZINC000012756208 564067261 /nfs/dbraw/zinc/06/72/61/564067261.db2.gz GPKDYWJVQIPDGQ-CVEARBPZSA-N 0 0 342.508 4.161 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1cccc(F)c1 ZINC000012761315 564067742 /nfs/dbraw/zinc/06/77/42/564067742.db2.gz LSQOTYCBUIYHKX-UHFFFAOYSA-N 0 0 334.394 4.468 50 0 EIAARN O=C(CC1CCCC1)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000012766539 564068043 /nfs/dbraw/zinc/06/80/43/564068043.db2.gz CJOQLMXEMBAMKG-NRFANRHFSA-N 0 0 333.435 4.349 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000012767072 564068096 /nfs/dbraw/zinc/06/80/96/564068096.db2.gz BVAQRLZUHCALBW-HUUCEWRRSA-N 0 0 343.496 4.182 50 0 EIAARN O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1ccsc1 ZINC000084452316 564068196 /nfs/dbraw/zinc/06/81/96/564068196.db2.gz BHNZSBCVJGZTCM-UHFFFAOYSA-N 0 0 327.283 4.265 50 0 EIAARN COc1cccc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c1 ZINC000012769361 564068585 /nfs/dbraw/zinc/06/85/85/564068585.db2.gz YYGSXBFWNOAZCL-UHFFFAOYSA-N 0 0 345.442 4.431 50 0 EIAARN O=C(Nc1cnn(Cc2ccccc2)c1)NC1CCCCCCC1 ZINC000084544708 564068696 /nfs/dbraw/zinc/06/86/96/564068696.db2.gz FIXHOFGJMPUDHH-UHFFFAOYSA-N 0 0 326.444 4.166 50 0 EIAARN O=C(NC[C@@H]1CC=CCC1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000084605765 564069018 /nfs/dbraw/zinc/06/90/18/564069018.db2.gz JSAUARGHPOJWGC-OAHLLOKOSA-N 0 0 348.446 4.274 50 0 EIAARN Cc1ccc(OCc2nc(C(=O)Nc3cccc(F)c3)cs2)cc1 ZINC000012775735 564069337 /nfs/dbraw/zinc/06/93/37/564069337.db2.gz VGMNYOSDRVJGDQ-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN C[C@@H](c1ccccc1F)[S@@](=O)Cc1ccc(-n2cccn2)cc1 ZINC000084660659 564069477 /nfs/dbraw/zinc/06/94/77/564069477.db2.gz VKELPJQDFXQNSZ-LFVRLGFBSA-N 0 0 328.412 4.021 50 0 EIAARN C[C@H](c1ccccc1F)[S@](=O)Cc1cccc(OC(F)F)c1 ZINC000084660678 564069483 /nfs/dbraw/zinc/06/94/83/564069483.db2.gz JICYOZWXWSJBRG-XFNZEKPQSA-N 0 0 328.355 4.437 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(NC(C)=O)c(F)cc2F)C1(C)C ZINC000084671081 564069524 /nfs/dbraw/zinc/06/95/24/564069524.db2.gz GQNVUUGNERCHBU-MEDUHNTESA-N 0 0 336.382 4.100 50 0 EIAARN Cc1ccc(OCc2nc(C(=O)Nc3ccccc3F)cs2)cc1 ZINC000012776655 564069526 /nfs/dbraw/zinc/06/95/26/564069526.db2.gz QDUHQQPRWAKUGI-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN O=[S@@](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1F ZINC000084728817 564069870 /nfs/dbraw/zinc/06/98/70/564069870.db2.gz QJIMKOZBBSMSCX-JOCHJYFZSA-N 0 0 334.309 4.433 50 0 EIAARN C[C@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)c2ccccc21 ZINC000084715155 564069761 /nfs/dbraw/zinc/06/97/61/564069761.db2.gz JOHDWSKQKOQHQZ-HNNXBMFYSA-N 0 0 347.418 4.210 50 0 EIAARN COc1ccc(OC)c(CNC(=O)c2ccccc2-c2ccccc2)c1 ZINC000012780117 564069766 /nfs/dbraw/zinc/06/97/66/564069766.db2.gz UGUXJIFNOCLRHO-UHFFFAOYSA-N 0 0 347.414 4.301 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cnc21 ZINC000012780615 564069979 /nfs/dbraw/zinc/06/99/79/564069979.db2.gz LSUHAAHIPDRZGP-LBPRGKRZSA-N 0 0 342.830 4.157 50 0 EIAARN Cc1ccc(-c2cnc(CCC(=O)N3C[C@H](C)C[C@@H](C)C3)o2)cc1C ZINC000012782110 564070031 /nfs/dbraw/zinc/07/00/31/564070031.db2.gz ZWTZWBNPYVMDEE-HUUCEWRRSA-N 0 0 340.467 4.396 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)N(C)c3ccc(C)c(C)c3)c1CO2 ZINC000015677644 564070612 /nfs/dbraw/zinc/07/06/12/564070612.db2.gz VGDKXZRKTDJVKK-UHFFFAOYSA-N 0 0 348.402 4.436 50 0 EIAARN CCCc1nc(SC)ncc1C(=O)Nc1cccc(Cl)c1C ZINC000015681168 564070731 /nfs/dbraw/zinc/07/07/31/564070731.db2.gz WUCWABOUYWZEIA-UHFFFAOYSA-N 0 0 335.860 4.365 50 0 EIAARN CSc1cccc(C)c1NC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000184945689 564070791 /nfs/dbraw/zinc/07/07/91/564070791.db2.gz OYWJXJAXGJYMAH-CQSZACIVSA-N 0 0 334.485 4.330 50 0 EIAARN CCc1cccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)c1 ZINC000005058760 564071481 /nfs/dbraw/zinc/07/14/81/564071481.db2.gz DDEYKOBKDUXPRM-UHFFFAOYSA-N 0 0 327.424 4.010 50 0 EIAARN Cc1ccc(C)c(Nc2c(=O)c(=O)c2-c2ccc3c(c2)CCCC3)c1 ZINC000015728232 564072452 /nfs/dbraw/zinc/07/24/52/564072452.db2.gz YRDKFKMMMCANIS-UHFFFAOYSA-N 0 0 331.415 4.189 50 0 EIAARN CCN(C(=O)c1noc2c1CCc1sccc1-2)c1ccccc1C ZINC000015733209 564072722 /nfs/dbraw/zinc/07/27/22/564072722.db2.gz OJJQSKWISPSVSM-UHFFFAOYSA-N 0 0 338.432 4.477 50 0 EIAARN Cc1cccc2c(C(=O)N3CCC(C)CC3)cc(-c3cccnc3)nc12 ZINC000001460026 564072995 /nfs/dbraw/zinc/07/29/95/564072995.db2.gz ZIGSEQOIEMJEAQ-UHFFFAOYSA-N 0 0 345.446 4.477 50 0 EIAARN CN(Cc1cscn1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000063590798 564073291 /nfs/dbraw/zinc/07/32/91/564073291.db2.gz LHPIRTJZVXWJMF-UHFFFAOYSA-N 0 0 334.448 4.090 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)s1 ZINC000001465470 564073301 /nfs/dbraw/zinc/07/33/01/564073301.db2.gz ZDZIDAMNNPZJAX-UHFFFAOYSA-N 0 0 345.474 4.289 50 0 EIAARN Cc1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1 ZINC000085472391 564073429 /nfs/dbraw/zinc/07/34/29/564073429.db2.gz HPWAGWAHVXAOHZ-UHFFFAOYSA-N 0 0 329.465 4.374 50 0 EIAARN Cc1nc(C(=O)NCCc2cccc(F)c2)cc2c3ccccc3[nH]c21 ZINC000006075837 564073526 /nfs/dbraw/zinc/07/35/26/564073526.db2.gz NZSXQNMUPYTCKI-UHFFFAOYSA-N 0 0 347.393 4.136 50 0 biogenic EIAARN CO[C@@H](C(=O)NCC(C)(C)c1cccc(Cl)c1)c1ccccc1 ZINC000063624722 564073621 /nfs/dbraw/zinc/07/36/21/564073621.db2.gz NHHYEGMPKCBTEO-QGZVFWFLSA-N 0 0 331.843 4.122 50 0 EIAARN Cc1c(C[NH2+]CCC(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000015776786 564073904 /nfs/dbraw/zinc/07/39/04/564073904.db2.gz MGJVAUQQAYEYCJ-UHFFFAOYSA-N 0 0 342.483 4.296 50 0 EIAARN CCCc1ccc(C(=O)NCCCn2ccnc2-c2ccccc2)cc1 ZINC000085555048 564073919 /nfs/dbraw/zinc/07/39/19/564073919.db2.gz KTBNZBWQFKNICG-UHFFFAOYSA-N 0 0 347.462 4.323 50 0 EIAARN Cc1cc(C)n(-c2nnc(Nc3ccc(C)cc3)c3ccccc32)n1 ZINC000015777653 564074086 /nfs/dbraw/zinc/07/40/86/564074086.db2.gz NHCXLFHQPGUSBN-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN O=C(NCc1ccccc1OC(F)F)c1ccc(F)cc1Cl ZINC000012826123 564075100 /nfs/dbraw/zinc/07/51/00/564075100.db2.gz MJWFAWIQRVCQHP-UHFFFAOYSA-N 0 0 329.705 4.011 50 0 EIAARN Cc1cc(C)cc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)c1 ZINC000015822102 564075444 /nfs/dbraw/zinc/07/54/44/564075444.db2.gz KKJAIFPTZAOMBL-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN COc1cccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000012856757 564075512 /nfs/dbraw/zinc/07/55/12/564075512.db2.gz CAFZXEVYKBNFDA-OAHLLOKOSA-N 0 0 333.840 4.316 50 0 EIAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000012856688 564075540 /nfs/dbraw/zinc/07/55/40/564075540.db2.gz DWNZTBPMSKXMNZ-BDJLRTHQSA-N 0 0 349.402 4.085 50 0 EIAARN CC[C@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1c(C)nn(C)c1C ZINC000086425600 564075649 /nfs/dbraw/zinc/07/56/49/564075649.db2.gz FRSIQIJMDMNPPH-CJNGLKHVSA-N 0 0 344.459 4.016 50 0 EIAARN CC[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1c(C)nn(C)c1C ZINC000086425599 564075654 /nfs/dbraw/zinc/07/56/54/564075654.db2.gz FRSIQIJMDMNPPH-XJKSGUPXSA-N 0 0 344.459 4.016 50 0 EIAARN COc1cc(C(=O)Nc2cccc(C)c2)nc2ccc(Cl)cc21 ZINC000015829245 564075754 /nfs/dbraw/zinc/07/57/54/564075754.db2.gz SIJZKFBHLPLVFJ-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN COc1ccc(NC(=O)c2cc(OC)c3cc(Cl)ccc3n2)cc1 ZINC000015829215 564075767 /nfs/dbraw/zinc/07/57/67/564075767.db2.gz BYULZUWAAGRLRX-UHFFFAOYSA-N 0 0 342.782 4.158 50 0 EIAARN COc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1OC ZINC000003246725 564076023 /nfs/dbraw/zinc/07/60/23/564076023.db2.gz CGSWXJJEEVSFSU-UHFFFAOYSA-N 0 0 341.190 4.368 50 0 EIAARN CO[C@@H]1CC[C@@H]2[C@@]1(C)C(=O)C[C@H]1CC[C@H](C)[C@@H](CCC(C)=O)[C@]21C ZINC000071786282 564076286 /nfs/dbraw/zinc/07/62/86/564076286.db2.gz PHAJXBJNUVKPBE-NHGIHJHGSA-N 0 0 334.500 4.428 50 0 EIAARN CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862308 564077036 /nfs/dbraw/zinc/07/70/36/564077036.db2.gz WETFEOORAZMAIZ-UHFFFAOYSA-N 0 0 338.426 4.388 50 0 EIAARN Cc1nc2c(sc(=S)n2-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 ZINC000006160698 564077060 /nfs/dbraw/zinc/07/70/60/564077060.db2.gz OPJHYHYBIXLAOK-UHFFFAOYSA-N 0 0 344.248 4.120 50 0 EIAARN CCn1c(=O)c2ccccc2nc1S[C@H](C)c1ccc(F)cc1 ZINC000006172472 564077248 /nfs/dbraw/zinc/07/72/48/564077248.db2.gz ZWROHOHDLNHUKE-GFCCVEGCSA-N 0 0 328.412 4.409 50 0 EIAARN CCOc1ccc2oc(C)c(C(=O)Nc3cccc(OC)c3)c2c1 ZINC000015880495 564077362 /nfs/dbraw/zinc/07/73/62/564077362.db2.gz IOTLMZDNPBWURT-UHFFFAOYSA-N 0 0 325.364 4.401 50 0 EIAARN CSCc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000012888653 564077505 /nfs/dbraw/zinc/07/75/05/564077505.db2.gz BJWDXYBZCYLIPY-UHFFFAOYSA-N 0 0 325.477 4.401 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000012899612 564077678 /nfs/dbraw/zinc/07/76/78/564077678.db2.gz BMFYQJFYZDKKFP-SUMWQHHRSA-N 0 0 345.439 4.255 50 0 EIAARN O=C(NCC1(c2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000012912079 564077968 /nfs/dbraw/zinc/07/79/68/564077968.db2.gz MTYSVLWJIKIQLN-UHFFFAOYSA-N 0 0 335.325 4.047 50 0 EIAARN Cc1ccc(-c2nc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)cc1 ZINC000012911489 564077987 /nfs/dbraw/zinc/07/79/87/564077987.db2.gz SCHDWQWEVAKNJO-UHFFFAOYSA-N 0 0 346.312 4.051 50 0 EIAARN C[C@@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1Cl ZINC000012926664 564078534 /nfs/dbraw/zinc/07/85/34/564078534.db2.gz WIVJBYVXXYHBGN-OLZOCXBDSA-N 0 0 348.899 4.198 50 0 EIAARN Cc1noc2nc(C)cc(C(=O)N[C@H](C)c3cc4ccccc4o3)c12 ZINC000012926742 564078544 /nfs/dbraw/zinc/07/85/44/564078544.db2.gz WVFGIHVYLYKMFG-LLVKDONJSA-N 0 0 335.363 4.077 50 0 EIAARN Nc1ccccc1N1C=C2CCCC3=NN(c4ccccc4)S1=C23 ZINC000005589733 564078553 /nfs/dbraw/zinc/07/85/53/564078553.db2.gz IMBWGLNUARQGCO-UHFFFAOYSA-N 0 0 334.448 4.304 50 0 EIAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(C(F)(F)F)c1 ZINC000012930275 564078591 /nfs/dbraw/zinc/07/85/91/564078591.db2.gz IVAPBJUATDJJDG-UHFFFAOYSA-N 0 0 343.308 4.415 50 0 EIAARN Cc1cccc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c1C ZINC000012931325 564078776 /nfs/dbraw/zinc/07/87/76/564078776.db2.gz HDSCIXZXOIEQQU-GFCCVEGCSA-N 0 0 341.382 4.150 50 0 EIAARN COc1cc(C)c(NC(=O)CCOc2cc(C)cc(C)c2)cc1OC ZINC000012932032 564078790 /nfs/dbraw/zinc/07/87/90/564078790.db2.gz BPHBTTPGQAYGCM-UHFFFAOYSA-N 0 0 343.423 4.037 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1 ZINC000012938723 564079403 /nfs/dbraw/zinc/07/94/03/564079403.db2.gz NNUVBPNJXMIIKO-UHFFFAOYSA-N 0 0 327.811 4.430 50 0 EIAARN CCOc1ccc(-c2nc(CSc3nncn3CC)cs2)cc1 ZINC000012939914 564079458 /nfs/dbraw/zinc/07/94/58/564079458.db2.gz GHOWWAKGROQGFW-UHFFFAOYSA-N 0 0 346.481 4.113 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)NC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000575444547 564079741 /nfs/dbraw/zinc/07/97/41/564079741.db2.gz ZCDPBUSYYQJXGD-DYVFJYSZSA-N 0 0 328.460 4.282 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CCCN1c1cc(C)nc(C2CC2)n1 ZINC000088736487 564079807 /nfs/dbraw/zinc/07/98/07/564079807.db2.gz PHQJQYHIXHHJIT-SFHVURJKSA-N 0 0 347.466 4.374 50 0 EIAARN COC[C@@](C)(NC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000075106251 564080090 /nfs/dbraw/zinc/08/00/90/564080090.db2.gz BGUUQUZQFWTKQZ-QGZVFWFLSA-N 0 0 336.794 4.162 50 0 EIAARN C[C@H](c1cccc(O)c1)N(C)C(=O)COc1ccccc1C(C)(C)C ZINC000075107740 564080218 /nfs/dbraw/zinc/08/02/18/564080218.db2.gz AZHBDZNQPPVGOY-OAHLLOKOSA-N 0 0 341.451 4.288 50 0 EIAARN Cc1cc(C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c(C)o1 ZINC000075155377 564080848 /nfs/dbraw/zinc/08/08/48/564080848.db2.gz DSJYWJDJNXJXIU-JOCHJYFZSA-N 0 0 349.430 4.201 50 0 EIAARN C[C@@](O)(CNC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000075155374 564080849 /nfs/dbraw/zinc/08/08/49/564080849.db2.gz ICBICUDMLRWXIM-JOCHJYFZSA-N 0 0 349.405 4.130 50 0 EIAARN O=C(NC[C@H](O)c1cccs1)c1ccccc1Oc1ccccc1 ZINC000075155987 564080874 /nfs/dbraw/zinc/08/08/74/564080874.db2.gz GQENHTMTYNTQPQ-INIZCTEOSA-N 0 0 339.416 4.004 50 0 EIAARN O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccccc1Cl ZINC000075171005 564081046 /nfs/dbraw/zinc/08/10/46/564081046.db2.gz YTQAHPFRTPULFQ-UHFFFAOYSA-N 0 0 337.810 4.402 50 0 EIAARN O=C(Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ccccc1 ZINC000075252382 564081216 /nfs/dbraw/zinc/08/12/16/564081216.db2.gz CNPWKHCKSWLLES-UHFFFAOYSA-N 0 0 333.265 4.064 50 0 EIAARN C[C@H](NC(=O)N1c2ccc(F)cc2C(=O)C[C@@H]1C)c1ccccc1 ZINC000075273223 564081379 /nfs/dbraw/zinc/08/13/79/564081379.db2.gz BOQINRZPWSWRQM-STQMWFEESA-N 0 0 326.371 4.078 50 0 EIAARN Cc1oc2ccc(NC(=O)c3cccc(C[S@@](C)=O)c3)cc2c1C ZINC000186781129 564081739 /nfs/dbraw/zinc/08/17/39/564081739.db2.gz MYGYNYBAEKYJMZ-XMMPIXPASA-N 0 0 341.432 4.180 50 0 EIAARN Cc1cc2s/c(=N/C(=O)c3cccc(Cl)c3)n(C)c2c(C)c1 ZINC000006202289 564082340 /nfs/dbraw/zinc/08/23/40/564082340.db2.gz SALKXNVNTFONJB-HTXNQAPBSA-N 0 0 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ZINC000089529272 564092684 /nfs/dbraw/zinc/09/26/84/564092684.db2.gz OACCLSHGWKLGFO-RBUKOAKNSA-N 0 0 334.419 4.207 50 0 EIAARN O=C(c1cccc(-c2cc[nH]n2)c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000426398264 564093609 /nfs/dbraw/zinc/09/36/09/564093609.db2.gz YTJINSGUDUBCDW-UHFFFAOYSA-N 0 0 347.393 4.145 50 0 EIAARN CSc1ccc(CNC(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000426465112 564093784 /nfs/dbraw/zinc/09/37/84/564093784.db2.gz GGWZSZVKETZVQP-GOSISDBHSA-N 0 0 341.480 4.240 50 0 EIAARN CSc1ccc(CNC(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000426465113 564093791 /nfs/dbraw/zinc/09/37/91/564093791.db2.gz GGWZSZVKETZVQP-SFHVURJKSA-N 0 0 341.480 4.240 50 0 EIAARN COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2ccncc2)cc1 ZINC000426443121 564093804 /nfs/dbraw/zinc/09/38/04/564093804.db2.gz YESPIFHWGZULIA-HXUWFJFHSA-N 0 0 338.451 4.170 50 0 EIAARN CCCCCc1nnc(NC(=O)c2cnc(Cl)c(Cl)c2)s1 ZINC000006786991 564097751 /nfs/dbraw/zinc/09/77/51/564097751.db2.gz OZOFEOBQYUXYSN-UHFFFAOYSA-N 0 0 345.255 4.225 50 0 EIAARN CCc1cnc(C)nc1-c1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 ZINC000426518316 564093967 /nfs/dbraw/zinc/09/39/67/564093967.db2.gz LLGGWHPVLFVGDT-CQSZACIVSA-N 0 0 349.434 4.441 50 0 EIAARN CC(C)c1cc(CNC(=O)N(C/C=C/c2ccccc2)C2CC2)on1 ZINC000426544651 564094062 /nfs/dbraw/zinc/09/40/62/564094062.db2.gz GQHUKDMHGRJUFA-RMKNXTFCSA-N 0 0 339.439 4.185 50 0 EIAARN O=C(N[C@@H]1CCSc2ccccc21)c1nc(Cl)ccc1Cl ZINC000006649172 564095101 /nfs/dbraw/zinc/09/51/01/564095101.db2.gz ITTMZVBQSVTXSZ-LLVKDONJSA-N 0 0 339.247 4.355 50 0 EIAARN CCc1cnc(C)nc1-c1cccc(C(=O)N2CCC3(CCCC3)C2)c1 ZINC000426693609 564094433 /nfs/dbraw/zinc/09/44/33/564094433.db2.gz BCDKJQLLCBOTKR-UHFFFAOYSA-N 0 0 349.478 4.421 50 0 EIAARN Cc1ccc(CN2C(=O)C(C)=C(C)[C@@H]2c2cn(C)c3ccccc23)o1 ZINC000006627914 564094712 /nfs/dbraw/zinc/09/47/12/564094712.db2.gz VWXRXZFQGXCNAC-HXUWFJFHSA-N 0 0 334.419 4.500 50 0 EIAARN Cc1csc(NC(=O)CSc2cccc(C(F)(F)F)c2)n1 ZINC000006638335 564094765 /nfs/dbraw/zinc/09/47/65/564094765.db2.gz DIIDJYHPAIDALU-UHFFFAOYSA-N 0 0 332.372 4.201 50 0 EIAARN Cc1ccc2cnn(C(=O)Nc3ccc(Br)cc3F)c2c1 ZINC000064662683 564094856 /nfs/dbraw/zinc/09/48/56/564094856.db2.gz MVUOOKREUCMUMB-UHFFFAOYSA-N 0 0 348.175 4.327 50 0 EIAARN COc1ccc(-c2csc3c2ncn(Cc2ccccc2)c3=O)cc1 ZINC000064667657 564094977 /nfs/dbraw/zinc/09/49/77/564094977.db2.gz NJVVFQDBZORVGB-UHFFFAOYSA-N 0 0 348.427 4.182 50 0 EIAARN Cc1cc2c(cc1C)N=C(c1ccccc1)CC(SCC(N)=O)=N2 ZINC000064668888 564094997 /nfs/dbraw/zinc/09/49/97/564094997.db2.gz IGHKKBHXIDTOTD-UHFFFAOYSA-N 0 0 337.448 4.076 50 0 EIAARN O=C(Nc1ccccc1Cc1ccccc1)c1cnc2ccccc2n1 ZINC000006646756 564095066 /nfs/dbraw/zinc/09/50/66/564095066.db2.gz KOAGZUZRBFNUAL-UHFFFAOYSA-N 0 0 339.398 4.473 50 0 EIAARN CC(C)[C@H](NC(=O)C(C)(C)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000006664265 564095620 /nfs/dbraw/zinc/09/56/20/564095620.db2.gz WTHBGIBAANAEDL-SFHVURJKSA-N 0 0 335.451 4.354 50 0 EIAARN C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006680528 564095793 /nfs/dbraw/zinc/09/57/93/564095793.db2.gz YVHRNTSRPKXGDU-CQSZACIVSA-N 0 0 349.883 4.329 50 0 EIAARN Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1cc(C)cc(C)c1)CO2 ZINC000006724317 564096399 /nfs/dbraw/zinc/09/63/99/564096399.db2.gz DVRNUAMIJVULJN-UHFFFAOYSA-N 0 0 347.418 4.006 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818508 564096470 /nfs/dbraw/zinc/09/64/70/564096470.db2.gz AVEZDJZORQPLSC-UHFFFAOYSA-N 0 0 340.814 4.452 50 0 EIAARN CCCn1nnc2cc(C(=O)Nc3ccc(C)cc3Cl)ccc21 ZINC000064818596 564096551 /nfs/dbraw/zinc/09/65/51/564096551.db2.gz FZOJWSKFOUEOHY-UHFFFAOYSA-N 0 0 328.803 4.055 50 0 EIAARN Cc1ccc(-c2noc3c2ncnc3N(C)Cc2ccccc2)cc1 ZINC000064820872 564096615 /nfs/dbraw/zinc/09/66/15/564096615.db2.gz XDWBAKRIIWIQFP-UHFFFAOYSA-N 0 0 330.391 4.230 50 0 EIAARN Clc1ccccc1CNc1cc(-c2ccccc2)nc2nncn21 ZINC000006743008 564096840 /nfs/dbraw/zinc/09/68/40/564096840.db2.gz LVWOLXDOKQGWSW-UHFFFAOYSA-N 0 0 335.798 4.057 50 0 EIAARN O=C(c1ccccc1F)N(Cc1ccco1)Cc1cccc(F)c1 ZINC000006747604 564096934 /nfs/dbraw/zinc/09/69/34/564096934.db2.gz NPMDODDZEPYZJL-UHFFFAOYSA-N 0 0 327.330 4.400 50 0 EIAARN Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C)cc2)o1 ZINC000006747396 564096942 /nfs/dbraw/zinc/09/69/42/564096942.db2.gz AFMJRXXYDSVAEF-UHFFFAOYSA-N 0 0 339.391 4.097 50 0 EIAARN CCCCN(C)c1nnc(NC(=O)Nc2ccccc2Cl)s1 ZINC000006768301 564097404 /nfs/dbraw/zinc/09/74/04/564097404.db2.gz KMMCWRYPDHUHHJ-UHFFFAOYSA-N 0 0 339.852 4.072 50 0 EIAARN Cc1ccccc1NC(=O)NCc1cccn1Cc1ccc(F)cc1 ZINC000006751764 564097211 /nfs/dbraw/zinc/09/72/11/564097211.db2.gz FQSGUTATBWEAKA-UHFFFAOYSA-N 0 0 337.398 4.306 50 0 EIAARN Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3ccccc3F)on2)cc1 ZINC000006757694 564097272 /nfs/dbraw/zinc/09/72/72/564097272.db2.gz ZILGTTIXGAEONR-CYBMUJFWSA-N 0 0 340.354 4.195 50 0 EIAARN COc1ccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000006786684 564097772 /nfs/dbraw/zinc/09/77/72/564097772.db2.gz LIDALKXBYFOTEP-UHFFFAOYSA-N 0 0 343.467 4.040 50 0 EIAARN Cc1sc2nc(-c3ccccc3)nc(NCc3cnn(C)c3)c2c1C ZINC000064931145 564097962 /nfs/dbraw/zinc/09/79/62/564097962.db2.gz YWSHWYBUERDQAU-UHFFFAOYSA-N 0 0 349.463 4.321 50 0 EIAARN C[C@@H](O)c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000064931291 564097964 /nfs/dbraw/zinc/09/79/64/564097964.db2.gz BDIXDKRWWBOYQU-SECBINFHSA-N 0 0 330.737 4.419 50 0 EIAARN CCOc1ccccc1N(C)c1c(=O)c(=O)c1-c1ccc(C(C)C)cc1 ZINC000006793512 564098073 /nfs/dbraw/zinc/09/80/73/564098073.db2.gz GSUIJOLMZGFLGE-UHFFFAOYSA-N 0 0 349.430 4.240 50 0 EIAARN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)n1sc2ccccc2c1=O ZINC000006800087 564098188 /nfs/dbraw/zinc/09/81/88/564098188.db2.gz AJIYXLOCLMFKBP-MRXNPFEDSA-N 0 0 340.448 4.270 50 0 EIAARN CCN1CCSc2ccc(C(=O)N[C@H](C)c3ccccc3)cc21 ZINC000006802617 564098275 /nfs/dbraw/zinc/09/82/75/564098275.db2.gz FJSNPZHVXJHWHW-CQSZACIVSA-N 0 0 326.465 4.110 50 0 EIAARN CCc1c(C)c(C(=O)NCC(C)C)n(Cc2ccccc2F)c1C ZINC000006801656 564098306 /nfs/dbraw/zinc/09/83/06/564098306.db2.gz MIMOLJNHOPDFDW-UHFFFAOYSA-N 0 0 330.447 4.241 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Oc2ccc(Cl)c(C)c2)n1 ZINC000006810432 564098438 /nfs/dbraw/zinc/09/84/38/564098438.db2.gz MFBUBIXQVINUFH-UHFFFAOYSA-N 0 0 329.208 4.033 50 0 EIAARN COc1ccc(CNC(=O)Cc2coc3ccc(C(C)C)cc23)cc1 ZINC000006809880 564098475 /nfs/dbraw/zinc/09/84/75/564098475.db2.gz JZQGTDXQJDUHLF-UHFFFAOYSA-N 0 0 337.419 4.424 50 0 EIAARN COc1ccccc1C(=O)N(Cc1ccco1)Cc1ccc(C)cc1 ZINC000006810662 564098522 /nfs/dbraw/zinc/09/85/22/564098522.db2.gz LHCKEFHIDSDUNE-UHFFFAOYSA-N 0 0 335.403 4.439 50 0 EIAARN CCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(F)ccc21 ZINC000064961039 564098577 /nfs/dbraw/zinc/09/85/77/564098577.db2.gz PFZSQXWQQKCOJB-UHFFFAOYSA-N 0 0 349.365 4.186 50 0 EIAARN O=C(NCc1ccccc1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967826 564098690 /nfs/dbraw/zinc/09/86/90/564098690.db2.gz YVDSXVGRGOWDDI-UHFFFAOYSA-N 0 0 342.398 4.349 50 0 EIAARN CCc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2)cc1 ZINC000006820415 564098784 /nfs/dbraw/zinc/09/87/84/564098784.db2.gz JTTZIUKTHFTASB-CQSZACIVSA-N 0 0 337.448 4.193 50 0 EIAARN Cc1nnc(S[C@@H](C)C(=O)c2ccccc2)n1-c1ccc(C)cc1 ZINC000006820960 564098851 /nfs/dbraw/zinc/09/88/51/564098851.db2.gz ZDEBVTSIPBGEQZ-AWEZNQCLSA-N 0 0 337.448 4.248 50 0 EIAARN O=C(NC1CCCCCCC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000006822575 564098881 /nfs/dbraw/zinc/09/88/81/564098881.db2.gz RLHSXNDHYQCPRN-UHFFFAOYSA-N 0 0 333.819 4.233 50 0 EIAARN CC(C)(C)CC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000006836381 564099261 /nfs/dbraw/zinc/09/92/61/564099261.db2.gz HEBRMCUKYDPPDU-UHFFFAOYSA-N 0 0 339.461 4.344 50 0 EIAARN CCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2)c1 ZINC000006837063 564099313 /nfs/dbraw/zinc/09/93/13/564099313.db2.gz XQPXZGDVBRBIKU-IBGZPJMESA-N 0 0 340.448 4.204 50 0 EIAARN CCOc1ccccc1NC(=O)N1C[C@H](CC)Oc2ccccc21 ZINC000006844612 564099556 /nfs/dbraw/zinc/09/95/56/564099556.db2.gz OYRPEJLNRUDAHB-AWEZNQCLSA-N 0 0 326.396 4.295 50 0 EIAARN CCCNC(=O)CCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000006858109 564099680 /nfs/dbraw/zinc/09/96/80/564099680.db2.gz IPHSPCFLBPBJTE-UHFFFAOYSA-N 0 0 334.463 4.457 50 0 EIAARN O=C(Nc1cc(F)cc(F)c1)c1ccc(-c2cccc(F)c2)nc1 ZINC000065030131 564099720 /nfs/dbraw/zinc/09/97/20/564099720.db2.gz SNWDHSHHTIDDDD-UHFFFAOYSA-N 0 0 328.293 4.418 50 0 EIAARN COC(=O)c1cc(OCc2ccc(C)cc2)c2cc(F)ccc2n1 ZINC000065033346 564099856 /nfs/dbraw/zinc/09/98/56/564099856.db2.gz BFQBTSKFUZKEDG-UHFFFAOYSA-N 0 0 325.339 4.048 50 0 EIAARN COC(=O)c1cc(Nc2ccc(F)cc2F)c2cccc(C)c2n1 ZINC000065033667 564099903 /nfs/dbraw/zinc/09/99/03/564099903.db2.gz DGRDOKMGVQBBBX-UHFFFAOYSA-N 0 0 328.318 4.352 50 0 EIAARN CCCN(C(=O)NCc1noc2ccc(C)cc21)c1ccc(F)cc1 ZINC000006866043 564100066 /nfs/dbraw/zinc/10/00/66/564100066.db2.gz VCUBYZYKERZGNW-UHFFFAOYSA-N 0 0 341.386 4.402 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2ccnc(-c3ccsc3)c2)c1 ZINC000065063148 564100538 /nfs/dbraw/zinc/10/05/38/564100538.db2.gz LKYYQHBJLBDXMZ-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN COc1cc(NC(=O)Cc2ccc3c(c2)CCC3)c(OC)cc1Cl ZINC000006881583 564100605 /nfs/dbraw/zinc/10/06/05/564100605.db2.gz AKGXKRPMXTZUQE-UHFFFAOYSA-N 0 0 345.826 4.027 50 0 EIAARN COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1Cl ZINC000006897454 564100989 /nfs/dbraw/zinc/10/09/89/564100989.db2.gz YHNBKKKLENETOZ-UHFFFAOYSA-N 0 0 328.170 4.322 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(F)cc3Cl)nc2c1 ZINC000006908891 564101174 /nfs/dbraw/zinc/10/11/74/564101174.db2.gz BYLMGVZLYNYRBM-UHFFFAOYSA-N 0 0 349.818 4.395 50 0 EIAARN Cc1ccc(/C=C/c2nc(-c3cccc(-c4ccnn4C)c3)no2)o1 ZINC000065137277 564101525 /nfs/dbraw/zinc/10/15/25/564101525.db2.gz NLXWKGPLYHRDMI-CMDGGOBGSA-N 0 0 332.363 4.209 50 0 EIAARN CCCn1cc2c3c1cccc3CN(C(=O)c1cccc(F)c1)CC2 ZINC000065148656 564101646 /nfs/dbraw/zinc/10/16/46/564101646.db2.gz OXAXOJNFYKBBHY-UHFFFAOYSA-N 0 0 336.410 4.389 50 0 EIAARN COc1cccc(/C=C/c2nc(-c3ccc4oc(C)nc4c3)no2)c1 ZINC000065149592 564101778 /nfs/dbraw/zinc/10/17/78/564101778.db2.gz ZVFBMKQOGHDIIV-RMKNXTFCSA-N 0 0 333.347 4.365 50 0 EIAARN CCc1cccc(NC(=O)c2cnc(SC)nc2C(F)(F)F)c1 ZINC000006938360 564101865 /nfs/dbraw/zinc/10/18/65/564101865.db2.gz FWUSDDUDKOJIPG-UHFFFAOYSA-N 0 0 341.358 4.032 50 0 EIAARN COc1cccc(CCC(=O)Nc2cc(-c3ccc(C)s3)no2)c1 ZINC000065153352 564102065 /nfs/dbraw/zinc/10/20/65/564102065.db2.gz NVMBNYSKWDWDDQ-UHFFFAOYSA-N 0 0 342.420 4.291 50 0 EIAARN O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000006947829 564102142 /nfs/dbraw/zinc/10/21/42/564102142.db2.gz OAFYJKMMIYSUEX-MRXNPFEDSA-N 0 0 333.790 4.052 50 0 EIAARN Cc1ccc(CC(=O)NCc2cccnc2-c2ccc(F)cc2)cc1 ZINC000065171258 564102219 /nfs/dbraw/zinc/10/22/19/564102219.db2.gz CSJOGJRUTDFSPY-UHFFFAOYSA-N 0 0 334.394 4.055 50 0 EIAARN O=C(c1cccs1)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000065180475 564102334 /nfs/dbraw/zinc/10/23/34/564102334.db2.gz QAHPXJNJLRJQOU-UHFFFAOYSA-N 0 0 347.455 4.346 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCC(CCOc2cccnc2)CC1 ZINC000065181162 564102383 /nfs/dbraw/zinc/10/23/83/564102383.db2.gz IQSVWYDAJCRDEQ-UHFFFAOYSA-N 0 0 344.842 4.056 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(F)cc1Cl ZINC000006969299 564102445 /nfs/dbraw/zinc/10/24/45/564102445.db2.gz YPZIDMILQPDVTC-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN O=C(CCc1conc1-c1cccc(F)c1)NC1CCCCCC1 ZINC000065213506 564102785 /nfs/dbraw/zinc/10/27/85/564102785.db2.gz MFJYUWBSDYDPIN-UHFFFAOYSA-N 0 0 330.403 4.252 50 0 EIAARN COc1cccc(C(=O)Nc2ccsc2-c2nnc(C(C)C)o2)c1 ZINC000065218682 564102894 /nfs/dbraw/zinc/10/28/94/564102894.db2.gz VSBOFPULQKTXJX-UHFFFAOYSA-N 0 0 343.408 4.182 50 0 EIAARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 ZINC000007003186 564103034 /nfs/dbraw/zinc/10/30/34/564103034.db2.gz JERMTFKCMPFKFV-OAHLLOKOSA-N 0 0 341.430 4.255 50 0 EIAARN Cc1noc(-c2cnc3nc(C)ccc3c2Nc2ccccc2C)n1 ZINC000065250569 564103444 /nfs/dbraw/zinc/10/34/44/564103444.db2.gz CVWYMOOADFXOLG-UHFFFAOYSA-N 0 0 331.379 4.349 50 0 EIAARN Cc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(C)cc2)n1 ZINC000065250571 564103459 /nfs/dbraw/zinc/10/34/59/564103459.db2.gz XYKWGDOFQSTKTO-UHFFFAOYSA-N 0 0 331.379 4.349 50 0 EIAARN O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc(O)cc1 ZINC000524735101 564103821 /nfs/dbraw/zinc/10/38/21/564103821.db2.gz VIFPCNSHOZEFLZ-SFHVURJKSA-N 0 0 340.810 4.465 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccc(F)cc2F)N1Cc1ccco1 ZINC000007113025 564105021 /nfs/dbraw/zinc/10/50/21/564105021.db2.gz RZCGDOUYZKDAKT-SFHVURJKSA-N 0 0 340.329 4.325 50 0 EIAARN Cc1cccc(Nc2nn3c(nc4cc(Cl)ccc4c3=O)s2)c1 ZINC000065330008 564105283 /nfs/dbraw/zinc/10/52/83/564105283.db2.gz VCBLQFZGJWJRRG-UHFFFAOYSA-N 0 0 342.811 4.010 50 0 EIAARN Cc1ccc2nc(CSCc3ccccc3Cl)cc(=O)n2c1 ZINC000007145717 564105491 /nfs/dbraw/zinc/10/54/91/564105491.db2.gz FWRGBWFDDYIDNE-UHFFFAOYSA-N 0 0 330.840 4.090 50 0 EIAARN CCc1ccc2c(CC(=O)N[C@@H]3CCOc4ccccc43)coc2c1 ZINC000007216764 564105822 /nfs/dbraw/zinc/10/58/22/564105822.db2.gz XAAKPTCWZBUISU-GOSISDBHSA-N 0 0 335.403 4.178 50 0 EIAARN Cc1nc(SCC(=O)Nc2ccc3ccccc3c2)nc(C)c1C ZINC000007253509 564106052 /nfs/dbraw/zinc/10/60/52/564106052.db2.gz QVTFAUMNDKCRIX-UHFFFAOYSA-N 0 0 337.448 4.286 50 0 EIAARN C[C@@H](C(=O)NC1CCCCC1)N(C)Cc1cccc(Cl)c1Cl ZINC000007266092 564106112 /nfs/dbraw/zinc/10/61/12/564106112.db2.gz MBSNTDPBBCEVGM-LBPRGKRZSA-N 0 0 343.298 4.263 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1(C)C ZINC000065493374 564106487 /nfs/dbraw/zinc/10/64/87/564106487.db2.gz ICYFQUSHKHYEBU-WMLDXEAASA-N 0 0 327.403 4.188 50 0 EIAARN Cc1nc(Sc2ncnc3sccc32)[nH]c1Cc1ccccc1 ZINC000007327833 564106833 /nfs/dbraw/zinc/10/68/33/564106833.db2.gz UTFMZSWSTYOQPO-UHFFFAOYSA-N 0 0 338.461 4.465 50 0 EIAARN O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(Cl)c1 ZINC000007339269 564106950 /nfs/dbraw/zinc/10/69/50/564106950.db2.gz JPVUCGDPCQEDOZ-UHFFFAOYSA-N 0 0 349.173 4.400 50 0 EIAARN O=S(=O)(NCCC1=CCCCC1)c1c(Cl)cccc1Cl ZINC000007376278 564107089 /nfs/dbraw/zinc/10/70/89/564107089.db2.gz FLRDUIVNSSHLJK-UHFFFAOYSA-N 0 0 334.268 4.162 50 0 EIAARN COc1cccc(-c2nc(CN3CCc4ccccc4C3)cs2)c1 ZINC000065534049 564107146 /nfs/dbraw/zinc/10/71/46/564107146.db2.gz RXJFWROVABOSFO-UHFFFAOYSA-N 0 0 336.460 4.377 50 0 EIAARN O=C(CCc1ccccc1F)N[C@@H](c1nccs1)c1ccccc1 ZINC000065537781 564107245 /nfs/dbraw/zinc/10/72/45/564107245.db2.gz YKJUIGJMPLWCBB-GOSISDBHSA-N 0 0 340.423 4.121 50 0 EIAARN COc1ccc2[nH]c(SCC(=O)c3cc(C)ccc3C)nc2c1 ZINC000007344162 564107294 /nfs/dbraw/zinc/10/72/94/564107294.db2.gz NVVUVULDWLQYMN-UHFFFAOYSA-N 0 0 326.421 4.163 50 0 EIAARN Cc1noc(C)c1CCC(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000065549092 564107355 /nfs/dbraw/zinc/10/73/55/564107355.db2.gz VPXPJUOOACXXCL-UHFFFAOYSA-N 0 0 348.446 4.304 50 0 EIAARN Cc1nc2ccccc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000007390875 564107713 /nfs/dbraw/zinc/10/77/13/564107713.db2.gz QUUWUGPDGNNEEQ-UHFFFAOYSA-N 0 0 326.399 4.420 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000007403957 564107936 /nfs/dbraw/zinc/10/79/36/564107936.db2.gz KVZLHNKMUUQCTG-UHFFFAOYSA-N 0 0 334.199 4.242 50 0 EIAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000007402751 564107971 /nfs/dbraw/zinc/10/79/71/564107971.db2.gz RPJQBUMBEUUCCR-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN CCCn1cc(C(=O)OCc2ccnc(Cl)c2)c2ccccc21 ZINC000065594411 564108058 /nfs/dbraw/zinc/10/80/58/564108058.db2.gz QXECXPFHVSFBAE-UHFFFAOYSA-N 0 0 328.799 4.457 50 0 EIAARN C[C@@H](Cc1ccsc1)NC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000170594797 564109055 /nfs/dbraw/zinc/10/90/55/564109055.db2.gz JNPODUKBWDWGFS-NSHDSACASA-N 0 0 344.465 4.019 50 0 EIAARN CC(C)C[C@@H](O)CNc1ncnc2sc(-c3ccccc3)cc21 ZINC000170600307 564109308 /nfs/dbraw/zinc/10/93/08/564109308.db2.gz NZJOXWNRLJPMIG-CQSZACIVSA-N 0 0 327.453 4.177 50 0 EIAARN CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@H]1c1ccccc1 ZINC000170613903 564109914 /nfs/dbraw/zinc/10/99/14/564109914.db2.gz NOVGUZRHIRXEDL-CQSZACIVSA-N 0 0 335.190 4.133 50 0 EIAARN COC(CCCC(C)(C)CNC(=O)Nc1ccc(Cl)cc1)OC ZINC000170619843 564110143 /nfs/dbraw/zinc/11/01/43/564110143.db2.gz SUGNNFYHHKNSFK-UHFFFAOYSA-N 0 0 342.867 4.277 50 0 EIAARN COc1ccc(C2(NC(=O)c3cccc4c3ccn4C)CCCC2)cc1 ZINC000170620700 564110298 /nfs/dbraw/zinc/11/02/98/564110298.db2.gz HSFOODXHLLJLTQ-UHFFFAOYSA-N 0 0 348.446 4.386 50 0 EIAARN Cc1c(C(=O)N(CC2CC2)CC2CC2)oc2c1C(=O)CC(C)(C)C2 ZINC000170627130 564110468 /nfs/dbraw/zinc/11/04/68/564110468.db2.gz IZPJMEIINOIFEE-UHFFFAOYSA-N 0 0 329.440 4.005 50 0 EIAARN NC(=O)c1cc(Cl)ccc1OCc1c(Cl)ccc2cccnc21 ZINC000042153950 564110734 /nfs/dbraw/zinc/11/07/34/564110734.db2.gz RBELPVTUIKSDMA-UHFFFAOYSA-N 0 0 347.201 4.220 50 0 EIAARN Cc1nc(-c2ccncc2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000071287212 564110960 /nfs/dbraw/zinc/11/09/60/564110960.db2.gz LGUISJGLNNXRGH-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000151562930 564111647 /nfs/dbraw/zinc/11/16/47/564111647.db2.gz FFJZKSJDKHHJML-BBRMVZONSA-N 0 0 345.443 4.315 50 0 EIAARN CCOc1ccc2ccccc2c1C(=O)NCCc1ccsc1 ZINC000013698199 564111882 /nfs/dbraw/zinc/11/18/82/564111882.db2.gz UNESILFMYYXDBC-UHFFFAOYSA-N 0 0 325.433 4.273 50 0 EIAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000014186103 564112294 /nfs/dbraw/zinc/11/22/94/564112294.db2.gz HHLLDBGCHMEIQZ-UHFFFAOYSA-N 0 0 346.217 4.491 50 0 EIAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H](C)C3CC3)cc2)o1 ZINC000014310341 564112398 /nfs/dbraw/zinc/11/23/98/564112398.db2.gz MJNLUFAYEQDRCS-CQSZACIVSA-N 0 0 347.418 4.240 50 0 EIAARN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ncoc1-c1cccs1 ZINC000089800052 564113916 /nfs/dbraw/zinc/11/39/16/564113916.db2.gz ONANTBHCRNGJSM-ZDUSSCGKSA-N 0 0 346.452 4.015 50 0 EIAARN CC(C)[C@@H](c1cccnc1)N(C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000089801844 564113957 /nfs/dbraw/zinc/11/39/57/564113957.db2.gz NVAGDOCLZVOJBK-SFHVURJKSA-N 0 0 340.402 4.100 50 0 EIAARN O=C(O[C@H]1CCCCC1=O)c1cc2ccccc2n1Cc1ccccc1 ZINC000089841004 564114195 /nfs/dbraw/zinc/11/41/95/564114195.db2.gz BFUHZQNAPWTOAX-NRFANRHFSA-N 0 0 347.414 4.358 50 0 EIAARN O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(Nc2ccccc2)cc1 ZINC000089845714 564114242 /nfs/dbraw/zinc/11/42/42/564114242.db2.gz ROKBDKSRPMYQRJ-UHFFFAOYSA-N 0 0 346.386 4.340 50 0 EIAARN CC(C)Oc1ccccc1C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000076042354 564114726 /nfs/dbraw/zinc/11/47/26/564114726.db2.gz JLHKMLDHNHGZED-UHFFFAOYSA-N 0 0 349.390 4.308 50 0 EIAARN C[C@H](NC(=O)N(C)Cc1ccncc1)c1ccc(-c2cccnc2)cc1 ZINC000089904932 564115034 /nfs/dbraw/zinc/11/50/34/564115034.db2.gz JBXUPOFWUYZNCE-INIZCTEOSA-N 0 0 346.434 4.046 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2nc(C3CC3)cs2)C[C@H](c2ccsc2)O1 ZINC000089936999 564115504 /nfs/dbraw/zinc/11/55/04/564115504.db2.gz JSXDLQLJINFWEM-QMTHXVAHSA-N 0 0 349.481 4.076 50 0 EIAARN CCC[C@H](c1ccccn1)N(C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000089949761 564115819 /nfs/dbraw/zinc/11/58/19/564115819.db2.gz XDSHYHWFEAJAAR-HNAYVOBHSA-N 0 0 343.446 4.329 50 0 EIAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC000252013290 564116378 /nfs/dbraw/zinc/11/63/78/564116378.db2.gz UBQOCBMGIIMPMR-SPYBWZPUSA-N 0 0 336.435 4.114 50 0 EIAARN FC(F)(F)COc1cccc(CNc2ncnc3ccccc32)c1 ZINC000170633311 564116422 /nfs/dbraw/zinc/11/64/22/564116422.db2.gz YENIJOLTOOYWIM-UHFFFAOYSA-N 0 0 333.313 4.183 50 0 EIAARN COc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)c1 ZINC000000476858 564116720 /nfs/dbraw/zinc/11/67/20/564116720.db2.gz YCLAOYBEIZIRGP-UHFFFAOYSA-N 0 0 346.358 4.349 50 0 EIAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 ZINC000000527065 564116764 /nfs/dbraw/zinc/11/67/64/564116764.db2.gz JEIACBXBTZPWOF-OAHLLOKOSA-N 0 0 349.434 4.146 50 0 EIAARN Cc1cnn(CCCNC(=O)c2cc(C)c(-c3ccccc3)s2)c1 ZINC000002872652 564117064 /nfs/dbraw/zinc/11/70/64/564117064.db2.gz HIEGBODBRPOKRT-UHFFFAOYSA-N 0 0 339.464 4.049 50 0 EIAARN COc1cc(C=O)cc(Br)c1OC/C=C/c1ccccc1 ZINC000002877656 564117107 /nfs/dbraw/zinc/11/71/07/564117107.db2.gz MDXLBEVOYJPNID-VMPITWQZSA-N 0 0 347.208 4.362 50 0 EIAARN OC[C@H]1CCCC[C@@H]1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000170636473 564117281 /nfs/dbraw/zinc/11/72/81/564117281.db2.gz NLCLRTRBEQXZQN-ZBFHGGJFSA-N 0 0 339.464 4.321 50 0 EIAARN OC[C@@H]1CCCC[C@@H]1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000170636476 564117287 /nfs/dbraw/zinc/11/72/87/564117287.db2.gz NLCLRTRBEQXZQN-HOCLYGCPSA-N 0 0 339.464 4.321 50 0 EIAARN CCCc1sc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1CC ZINC000170636585 564117333 /nfs/dbraw/zinc/11/73/33/564117333.db2.gz AZZJZZHWTDAYGW-XYPHTWIQSA-N 0 0 335.513 4.149 50 0 EIAARN COc1cccc(NC(=O)Nc2cccc(C)c2NC(=O)C(C)C)c1 ZINC000006742980 564117507 /nfs/dbraw/zinc/11/75/07/564117507.db2.gz SIKPHECZQKLTLT-UHFFFAOYSA-N 0 0 341.411 4.242 50 0 EIAARN COc1ccc(CN(CC[C@@H](c2ccco2)C(C)C)C(C)=O)cc1 ZINC000002093619 564117560 /nfs/dbraw/zinc/11/75/60/564117560.db2.gz MQTLLSQUGQJODV-LJQANCHMSA-N 0 0 329.440 4.467 50 0 biogenic EIAARN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)C[C@@H]1CCOC1 ZINC000366519943 564117837 /nfs/dbraw/zinc/11/78/37/564117837.db2.gz ZLFUJKXXHATKGQ-IEGUWTFLSA-N 0 0 349.474 4.018 50 0 EIAARN Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccccc1F)C3 ZINC000002120041 564118248 /nfs/dbraw/zinc/11/82/48/564118248.db2.gz OGPBYBUHTBHVKT-UHFFFAOYSA-N 0 0 339.366 4.214 50 0 biogenic EIAARN CN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000007595531 564118842 /nfs/dbraw/zinc/11/88/42/564118842.db2.gz ZSEVBLZCGZVHMN-UHFFFAOYSA-N 0 0 344.414 4.308 50 0 EIAARN Cc1ccc(O)c(-c2nn(-c3ccccc3)c(=O)c3ccccc32)c1 ZINC000000389941 564118862 /nfs/dbraw/zinc/11/88/62/564118862.db2.gz DEZZWDCPPYGPMB-UHFFFAOYSA-N 0 0 328.371 4.067 50 0 EIAARN O=c1ccc(-c2ccccc2)nn1Cc1ccc(Cl)cc1Cl ZINC000007595807 564118903 /nfs/dbraw/zinc/11/89/03/564118903.db2.gz VCBSXEVQNOIECQ-UHFFFAOYSA-N 0 0 331.202 4.265 50 0 EIAARN CSCCCCC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000252481892 564119218 /nfs/dbraw/zinc/11/92/18/564119218.db2.gz CUTVDJHZDDZOLY-UHFFFAOYSA-N 0 0 346.418 4.036 50 0 EIAARN Cc1cccc([C@@H]2CCCCN2C(=O)c2cnc([C@@H](C)O)s2)c1C ZINC000252485433 564119283 /nfs/dbraw/zinc/11/92/83/564119283.db2.gz GVOVRLKAZJNKLC-ZBFHGGJFSA-N 0 0 344.480 4.181 50 0 EIAARN c1cc(-c2nc(CN3CCOCc4ccccc43)cs2)cs1 ZINC000252487860 564119385 /nfs/dbraw/zinc/11/93/85/564119385.db2.gz ICTXUJBEEKBAMU-UHFFFAOYSA-N 0 0 328.462 4.408 50 0 EIAARN CCc1noc(C)c1NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000252487358 564119387 /nfs/dbraw/zinc/11/93/87/564119387.db2.gz HVDJHNAJZPQQAL-UHFFFAOYSA-N 0 0 335.354 4.020 50 0 EIAARN COc1ccc([C@@H](CCNC(=O)[C@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000002148426 564119517 /nfs/dbraw/zinc/11/95/17/564119517.db2.gz BNSRXZJARXDPQG-HKUYNNGSSA-N 0 0 347.499 4.146 50 0 biogenic EIAARN CCOc1ccc(NC(=O)N(C)Cc2ccn(CC)c2)cc1Cl ZINC000252509342 564120016 /nfs/dbraw/zinc/12/00/16/564120016.db2.gz YLSXPVWLQAILDE-UHFFFAOYSA-N 0 0 335.835 4.224 50 0 EIAARN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1scnc1-c1ccccc1 ZINC000252523248 564120416 /nfs/dbraw/zinc/12/04/16/564120416.db2.gz CEKQRIMBSBQBJH-PXAZEXFGSA-N 0 0 336.416 4.313 50 0 EIAARN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1scnc1-c1ccccc1 ZINC000252523249 564120418 /nfs/dbraw/zinc/12/04/18/564120418.db2.gz CEKQRIMBSBQBJH-SJCJKPOMSA-N 0 0 336.416 4.313 50 0 EIAARN CCC(CC)n1ncc(C(=O)N[C@@H]2COc3c2cccc3Cl)c1C ZINC000252550333 564120748 /nfs/dbraw/zinc/12/07/48/564120748.db2.gz SJKHEHFXISNUEY-MRXNPFEDSA-N 0 0 347.846 4.070 50 0 EIAARN COc1ccc(-c2csc(N[C@H]3OC(=O)c4ccccc43)n2)cc1 ZINC000002205742 564121089 /nfs/dbraw/zinc/12/10/89/564121089.db2.gz AJHIXYKYCQQHOB-INIZCTEOSA-N 0 0 338.388 4.100 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 ZINC000007641481 564121488 /nfs/dbraw/zinc/12/14/88/564121488.db2.gz BUTGUHAJQXQXOF-UHFFFAOYSA-N 0 0 328.393 4.281 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc2cnccc21 ZINC000007655316 564121608 /nfs/dbraw/zinc/12/16/08/564121608.db2.gz NZXLSUPYHZQXLX-UHFFFAOYSA-N 0 0 330.309 4.435 50 0 EIAARN COc1ccc(CN([C@@H](C)C(=O)c2c[nH]c3ccccc23)C2CC2)cc1 ZINC000007662267 564121702 /nfs/dbraw/zinc/12/17/02/564121702.db2.gz AHRACTHGAOYJCC-HNNXBMFYSA-N 0 0 348.446 4.412 50 0 EIAARN C[C@H](NC(=O)CSc1ccccn1)c1ccc(Cl)cc1Cl ZINC000007699798 564122040 /nfs/dbraw/zinc/12/20/40/564122040.db2.gz MUKYYYGAHXFRES-JTQLQIEISA-N 0 0 341.263 4.358 50 0 EIAARN CCN(C(=O)CSc1ccc(NC(C)=O)cc1)C1=CCCCC1 ZINC000007705429 564122103 /nfs/dbraw/zinc/12/21/03/564122103.db2.gz SUFROSNVQNGIAP-UHFFFAOYSA-N 0 0 332.469 4.044 50 0 EIAARN CCCNC(=O)c1csc(-c2ccc(OCCC)cc2Cl)n1 ZINC000037613994 564123246 /nfs/dbraw/zinc/12/32/46/564123246.db2.gz CGYRXVULWPUTGK-UHFFFAOYSA-N 0 0 338.860 4.392 50 0 EIAARN CCOC(=O)c1oc2ccccc2c1CN(C)Cc1cccc(F)c1 ZINC000007791387 564123412 /nfs/dbraw/zinc/12/34/12/564123412.db2.gz VUKKQLWYKSRDTG-UHFFFAOYSA-N 0 0 341.382 4.381 50 0 EIAARN O=C(CCN1CCCC[C@@H]1c1nccs1)Nc1ccccc1Cl ZINC000195439843 564123483 /nfs/dbraw/zinc/12/34/83/564123483.db2.gz NHHBHYAKSFVDGZ-OAHLLOKOSA-N 0 0 349.887 4.352 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000195529917 564123618 /nfs/dbraw/zinc/12/36/18/564123618.db2.gz LCSQDVGQLONUGF-NJDAHSKKSA-N 0 0 328.415 4.091 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3)s2)cs1 ZINC000007820500 564124045 /nfs/dbraw/zinc/12/40/45/564124045.db2.gz ZVMZLMBGLFAXFC-UHFFFAOYSA-N 0 0 332.425 4.249 50 0 EIAARN Cc1cc(CSc2nnc(-c3ccccc3F)n2C2CC2)no1 ZINC000007830507 564124092 /nfs/dbraw/zinc/12/40/92/564124092.db2.gz CYIYHLIDUHBORZ-UHFFFAOYSA-N 0 0 330.388 4.008 50 0 EIAARN Cc1csc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000007834669 564124162 /nfs/dbraw/zinc/12/41/62/564124162.db2.gz ZDYPUMMPKMDCPP-ZDUSSCGKSA-N 0 0 346.521 4.300 50 0 EIAARN c1csc(-c2cc(CSc3nnc(C4CC4)n3C3CC3)no2)c1 ZINC000007858309 564124265 /nfs/dbraw/zinc/12/42/65/564124265.db2.gz UYBBGICKEBNMKS-UHFFFAOYSA-N 0 0 344.465 4.499 50 0 EIAARN O=C(COc1ccccc1F)N[C@H](c1cccs1)c1ccccc1 ZINC000007889225 564124445 /nfs/dbraw/zinc/12/44/45/564124445.db2.gz VMUSVYXWMLASHS-IBGZPJMESA-N 0 0 341.407 4.172 50 0 EIAARN Cc1cccc(NCN2C(=O)S/C(=C\c3cccc(F)c3)C2=O)c1 ZINC000003015073 564125238 /nfs/dbraw/zinc/12/52/38/564125238.db2.gz QDMVISOJZCZWGE-YBEGLDIGSA-N 0 0 342.395 4.240 50 0 EIAARN COc1ccc(NC(=O)CNc2ccc(OCCC(C)C)cc2)cc1 ZINC000066226932 564125438 /nfs/dbraw/zinc/12/54/38/564125438.db2.gz MNHYJEWHOPSUDY-UHFFFAOYSA-N 0 0 342.439 4.171 50 0 EIAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)[C@H]1CCCO1 ZINC000012384997 564127855 /nfs/dbraw/zinc/12/78/55/564127855.db2.gz LLCUSVLXASIFOR-MOXGXCLJSA-N 0 0 336.435 4.144 50 0 EIAARN O=c1cc(COc2ccc(Cl)cc2)occ1OCc1ccccc1 ZINC000019928434 564129117 /nfs/dbraw/zinc/12/91/17/564129117.db2.gz XCWZJEYVJZISOD-UHFFFAOYSA-N 0 0 342.778 4.451 50 0 EIAARN COc1cccc(Cl)c1CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000253392380 564130425 /nfs/dbraw/zinc/13/04/25/564130425.db2.gz ORCOYNCUERDZLM-UHFFFAOYSA-N 0 0 347.846 4.168 50 0 EIAARN CCC(CC)N(C(=O)c1oc(C)nc1C)[C@@H]1CCCc2cccnc21 ZINC000253396618 564130542 /nfs/dbraw/zinc/13/05/42/564130542.db2.gz SZUGUZLAKITVKS-QGZVFWFLSA-N 0 0 341.455 4.395 50 0 EIAARN O=C(NCCCCCO)c1cccc(-c2ccc(F)cc2Cl)c1 ZINC000584886877 564131485 /nfs/dbraw/zinc/13/14/85/564131485.db2.gz MRKFWRRRNXAABA-UHFFFAOYSA-N 0 0 335.806 4.039 50 0 EIAARN CCN(CC(F)(F)F)C(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1 ZINC000584897262 564131646 /nfs/dbraw/zinc/13/16/46/564131646.db2.gz CKMXHHZVJLPOHM-UHFFFAOYSA-N 0 0 349.352 4.313 50 0 EIAARN COc1ccc(CN(Cc2nc3ccccc3o2)C2CC2)c(OC)c1 ZINC000027590763 564132330 /nfs/dbraw/zinc/13/23/30/564132330.db2.gz GBBDOJUIJLYXCX-UHFFFAOYSA-N 0 0 338.407 4.010 50 0 EIAARN COc1ccccc1-n1cnc2cc(NCc3ccccn3)ccc21 ZINC000002331518 564132368 /nfs/dbraw/zinc/13/23/68/564132368.db2.gz IUJPDVZDICNJJO-UHFFFAOYSA-N 0 0 330.391 4.041 50 0 EIAARN COc1ccc(-c2cccc3c(OC)c(OC)c4c(c23)OCO4)cc1 ZINC000253470609 564132611 /nfs/dbraw/zinc/13/26/11/564132611.db2.gz OPFXIUPORPSIOK-UHFFFAOYSA-N 0 0 338.359 4.261 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253498967 564132751 /nfs/dbraw/zinc/13/27/51/564132751.db2.gz BFKPXLDFMBGVDL-DNNXKHSDSA-N 0 0 342.479 4.162 50 0 EIAARN CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(C)cc3)NC(=O)CN21 ZINC000002398710 564134515 /nfs/dbraw/zinc/13/45/15/564134515.db2.gz LAQWZTJZWIVJGC-MDRMPYQZSA-N 0 0 346.474 4.195 50 0 EIAARN Cc1cccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1C ZINC000002404800 564134617 /nfs/dbraw/zinc/13/46/17/564134617.db2.gz QZHQKRNVPCRQJI-UHFFFAOYSA-N 0 0 347.414 4.255 50 0 EIAARN O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(Cl)cc2)S1 ZINC000012958945 564135747 /nfs/dbraw/zinc/13/57/47/564135747.db2.gz CERLIWVZUDWLJS-ZROIWOOFSA-N 0 0 331.780 4.456 50 0 EIAARN COc1cccc(NC(=S)NCCc2c(C)[nH]c3ccccc32)c1 ZINC000002451554 564135773 /nfs/dbraw/zinc/13/57/73/564135773.db2.gz SLUYUGCDVHQBDW-UHFFFAOYSA-N 0 0 339.464 4.014 50 0 EIAARN Cc1ccc(CN(C)C(=O)/C=C/c2cnn(-c3ccccc3)c2)c(C)c1 ZINC000012986844 564135807 /nfs/dbraw/zinc/13/58/07/564135807.db2.gz KXWBXNJESMAGLL-ZRDIBKRKSA-N 0 0 345.446 4.161 50 0 EIAARN Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 ZINC000013036276 564135891 /nfs/dbraw/zinc/13/58/91/564135891.db2.gz LXJBSTJNXNZNNS-PZJWPPBQSA-N 0 0 343.386 4.030 50 0 EIAARN O=c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c[nH]1 ZINC000013125348 564136040 /nfs/dbraw/zinc/13/60/40/564136040.db2.gz VHPGFKIUIOOABO-UHFFFAOYSA-N 0 0 335.794 4.093 50 0 EIAARN Cc1nnc([C@H](C)N(C)CCCc2cc(-c3ccccc3)no2)s1 ZINC000328586369 564136493 /nfs/dbraw/zinc/13/64/93/564136493.db2.gz CKNAWWQYAIPUIO-ZDUSSCGKSA-N 0 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Cc1cc(CN(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)on1 ZINC000095981790 564143726 /nfs/dbraw/zinc/14/37/26/564143726.db2.gz MJURWXUFUGRPGR-UHFFFAOYSA-N 0 0 346.818 4.097 50 0 EIAARN CS[C@@H](C)CCC(=O)OCC(=O)Nc1c(C)cccc1C(C)C ZINC000095995815 564144261 /nfs/dbraw/zinc/14/42/61/564144261.db2.gz QHOWWSIOZPFLPP-AWEZNQCLSA-N 0 0 337.485 4.132 50 0 EIAARN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)no1 ZINC000095998816 564144335 /nfs/dbraw/zinc/14/43/35/564144335.db2.gz ZTDCOUQYZRAVIK-INIZCTEOSA-N 0 0 328.416 4.144 50 0 EIAARN CCc1nnc([C@@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)o1 ZINC000096014088 564144827 /nfs/dbraw/zinc/14/48/27/564144827.db2.gz IHYNLKUXOTZSAR-NWDGAFQWSA-N 0 0 329.400 4.107 50 0 EIAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)c1ccsc1 ZINC000096024541 564144893 /nfs/dbraw/zinc/14/48/93/564144893.db2.gz DFXHGVUGMZXERP-UHFFFAOYSA-N 0 0 328.462 4.418 50 0 EIAARN CO[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 ZINC000096103348 564145261 /nfs/dbraw/zinc/14/52/61/564145261.db2.gz IIWUQDYWSXZNSR-ZDUSSCGKSA-N 0 0 344.358 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EIAARN Cc1ccc([C@H]2CC(c3ccc(C(C)C)cc3)=Nc3nnnn32)cc1 ZINC000002500091 564149990 /nfs/dbraw/zinc/14/99/90/564149990.db2.gz BAVJCMLMJYNOQG-LJQANCHMSA-N 0 0 331.423 4.161 50 0 EIAARN O=C(NCc1cccnc1-c1ccco1)c1ccccc1C(F)(F)F ZINC000225660295 564150176 /nfs/dbraw/zinc/15/01/76/564150176.db2.gz XPQIKFMCUDBNPR-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN COc1ccccc1NC(=O)NCc1cncc(-c2cccs2)c1 ZINC000225668110 564150219 /nfs/dbraw/zinc/15/02/19/564150219.db2.gz VCDZZZISKBQPGY-UHFFFAOYSA-N 0 0 339.420 4.140 50 0 EIAARN CO[C@@H](CNC(=O)c1ccccc1Cl)c1ccc(Cl)s1 ZINC000225700933 564150343 /nfs/dbraw/zinc/15/03/43/564150343.db2.gz BHWRQEASUIINKU-NSHDSACASA-N 0 0 330.236 4.172 50 0 EIAARN Cc1[nH]nc2ncc(NC(=O)c3ccc(CCC(F)(F)F)cc3)cc12 ZINC000161897712 564150669 /nfs/dbraw/zinc/15/06/69/564150669.db2.gz MPZXEQREQZNHPQ-UHFFFAOYSA-N 0 0 348.328 4.014 50 0 EIAARN CCCC/[S@@](Cc1ccccc1)=N/S(=O)(=O)c1ccccc1 ZINC000028294404 564150954 /nfs/dbraw/zinc/15/09/54/564150954.db2.gz GYPBAJJLWVNNAG-OAQYLSRUSA-N 0 0 335.494 4.178 50 0 EIAARN CCOc1ccc(C(=O)NCc2cccc(Cl)c2)cc1OCC ZINC000002616757 564151114 /nfs/dbraw/zinc/15/11/14/564151114.db2.gz NVFOCVADAYYJLW-UHFFFAOYSA-N 0 0 333.815 4.067 50 0 EIAARN CCc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(C)n2)cc1 ZINC000002622934 564151241 /nfs/dbraw/zinc/15/12/41/564151241.db2.gz YPKPBWWSNROXKL-CQSZACIVSA-N 0 0 329.469 4.084 50 0 EIAARN c1csc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)c1 ZINC000002622634 564151245 /nfs/dbraw/zinc/15/12/45/564151245.db2.gz HJMHKNVUXQZNFV-UHFFFAOYSA-N 0 0 342.405 4.140 50 0 EIAARN O=C(CCCSc1nc2ccccc2s1)NCc1ccccc1 ZINC000002623175 564151246 /nfs/dbraw/zinc/15/12/46/564151246.db2.gz UQMOYEKSBPNIIG-UHFFFAOYSA-N 0 0 342.489 4.485 50 0 EIAARN COc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000002629733 564151417 /nfs/dbraw/zinc/15/14/17/564151417.db2.gz XRPGGQLXKTXSQL-UHFFFAOYSA-N 0 0 335.856 4.147 50 0 EIAARN COc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 ZINC000002633858 564151526 /nfs/dbraw/zinc/15/15/26/564151526.db2.gz OWQDRHQLZUCHAV-UHFFFAOYSA-N 0 0 348.402 4.456 50 0 EIAARN CCOc1ccccc1NC(=O)CCc1nc2ccccc2s1 ZINC000002638727 564151634 /nfs/dbraw/zinc/15/16/34/564151634.db2.gz ONAGWNJJGFHFKI-UHFFFAOYSA-N 0 0 326.421 4.266 50 0 EIAARN Cc1nc2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2s1 ZINC000002640664 564151701 /nfs/dbraw/zinc/15/17/01/564151701.db2.gz BYQJNXRXXFOIHH-UHFFFAOYSA-N 0 0 326.421 4.239 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1Cl ZINC000002643299 564151728 /nfs/dbraw/zinc/15/17/28/564151728.db2.gz BGMAQMIRMAJHBV-UHFFFAOYSA-N 0 0 327.767 4.169 50 0 EIAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(C)cc(C)c1 ZINC000002721930 564152261 /nfs/dbraw/zinc/15/22/61/564152261.db2.gz RKBMWVZUGIDFKI-UHFFFAOYSA-N 0 0 336.391 4.214 50 0 EIAARN CCC(=O)NCCCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000002721521 564152277 /nfs/dbraw/zinc/15/22/77/564152277.db2.gz AKNTWXKCMQGXMY-UHFFFAOYSA-N 0 0 349.478 4.160 50 0 EIAARN Cc1cccc(C)c1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000002743679 564152405 /nfs/dbraw/zinc/15/24/05/564152405.db2.gz ZQRRLCXNDAKONJ-UHFFFAOYSA-N 0 0 337.345 4.035 50 0 EIAARN O=C(Nc1ccccc1)c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000002752448 564152448 /nfs/dbraw/zinc/15/24/48/564152448.db2.gz MQMJKJYIDABTAG-UHFFFAOYSA-N 0 0 341.304 4.356 50 0 EIAARN Cc1cc2nc(-c3ccc(Br)cc3)cc(C(F)F)n2n1 ZINC000002783699 564152612 /nfs/dbraw/zinc/15/26/12/564152612.db2.gz LNJGZJFYDJHFOX-UHFFFAOYSA-N 0 0 338.155 4.405 50 0 EIAARN Cc1nn2c(nc(-c3ccc4c(c3)OCO4)cc2C(F)F)c1Cl ZINC000002786706 564152621 /nfs/dbraw/zinc/15/26/21/564152621.db2.gz CNVOJPSWYNIEGE-UHFFFAOYSA-N 0 0 337.713 4.024 50 0 EIAARN CC(=O)N1CCc2sc(-c3csc(-c4ccoc4)n3)cc2C1 ZINC000162447521 564152873 /nfs/dbraw/zinc/15/28/73/564152873.db2.gz MZFVAYMSUYZPRG-UHFFFAOYSA-N 0 0 330.434 4.036 50 0 EIAARN CCCN1COc2ccc3c(-c4ccc(C)cc4)cc(=O)oc3c2C1 ZINC000057327463 564153612 /nfs/dbraw/zinc/15/36/12/564153612.db2.gz IJMKKVGXKZPSBN-UHFFFAOYSA-N 0 0 335.403 4.330 50 0 EIAARN Cn1c2ccccc2nc1-c1cccc(NC(=O)CCc2ccco2)c1 ZINC000057357211 564153705 /nfs/dbraw/zinc/15/37/05/564153705.db2.gz AMHUFJNLRRGWSX-UHFFFAOYSA-N 0 0 345.402 4.405 50 0 EIAARN O=c1oc2ccccc2cc1-c1cn2cc(Cl)cc(Cl)c2n1 ZINC000002957777 564153796 /nfs/dbraw/zinc/15/37/96/564153796.db2.gz CCYYGCZCWJLXCD-UHFFFAOYSA-N 0 0 331.158 4.415 50 0 EIAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cccc(Br)c1 ZINC000029799328 564153985 /nfs/dbraw/zinc/15/39/85/564153985.db2.gz RNRLFVYDJJSGRB-UHFFFAOYSA-N 0 0 342.196 4.092 50 0 EIAARN COCCN(C(=S)Nc1cc(C)cc(C)c1)[C@@H](C)c1ccccn1 ZINC000003046588 564154650 /nfs/dbraw/zinc/15/46/50/564154650.db2.gz PCKOPPXZLFIRSM-INIZCTEOSA-N 0 0 343.496 4.105 50 0 EIAARN COCCN(C(=S)Nc1ccc(C)c(C)c1)[C@@H](C)c1ccccn1 ZINC000003047316 564154688 /nfs/dbraw/zinc/15/46/88/564154688.db2.gz QJFGRMXBFXWPJV-INIZCTEOSA-N 0 0 343.496 4.105 50 0 EIAARN CCOc1ncccc1C(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC000029921726 564154771 /nfs/dbraw/zinc/15/47/71/564154771.db2.gz LYNARYAFAXAFDK-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc(Cl)c1 ZINC000003132965 564155387 /nfs/dbraw/zinc/15/53/87/564155387.db2.gz WMOGAFSFMTWERV-UHFFFAOYSA-N 0 0 335.794 4.148 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000003192564 564155832 /nfs/dbraw/zinc/15/58/32/564155832.db2.gz UNOWQKWJNMNLLI-UHFFFAOYSA-N 0 0 346.434 4.232 50 0 EIAARN Cc1ccc(C)c(C(=O)OCC(=O)c2ccccc2Br)c1 ZINC000003227550 564156259 /nfs/dbraw/zinc/15/62/59/564156259.db2.gz FQRYRIBQKGGIMX-UHFFFAOYSA-N 0 0 347.208 4.106 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1 ZINC000003236273 564156409 /nfs/dbraw/zinc/15/64/09/564156409.db2.gz UODQLHBYHSCQJA-UHFFFAOYSA-N 0 0 333.218 4.447 50 0 EIAARN C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)c1ccc(F)cc1 ZINC000058014355 564157221 /nfs/dbraw/zinc/15/72/21/564157221.db2.gz LGMVSPJKOVBGMJ-ZDUSSCGKSA-N 0 0 330.428 4.310 50 0 EIAARN O=C(Oc1ccc2ccccc2c1)c1ccc(N2CCCC2=O)cc1 ZINC000003361073 564157705 /nfs/dbraw/zinc/15/77/05/564157705.db2.gz ZLPUAUJGSXOXGC-UHFFFAOYSA-N 0 0 331.371 4.186 50 0 EIAARN CC(C)(C)n1c2ccccc2[nH]c1=NC(=O)c1ccc(Cl)cc1F ZINC000058172993 564157958 /nfs/dbraw/zinc/15/79/58/564157958.db2.gz UGNCEMBWBPCALC-UHFFFAOYSA-N 0 0 345.805 4.258 50 0 EIAARN Cc1ccccc1CCNC(=O)N(C)Cc1c(F)cccc1Cl ZINC000030980060 564158261 /nfs/dbraw/zinc/15/82/61/564158261.db2.gz FYSOHDPCCIGPQG-UHFFFAOYSA-N 0 0 334.822 4.172 50 0 EIAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)c(C)c1 ZINC000003475137 564158330 /nfs/dbraw/zinc/15/83/30/564158330.db2.gz HGGCKVLFVPCSBT-UHFFFAOYSA-N 0 0 345.449 4.146 50 0 EIAARN COc1ccc(NC(=O)c2cc(C)nc3ccccc32)cc1Cl ZINC000003486730 564158409 /nfs/dbraw/zinc/15/84/09/564158409.db2.gz XMXRTWPKPYBZTP-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN Cc1ccc(Cn2ncnc2[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000670447504 564159009 /nfs/dbraw/zinc/15/90/09/564159009.db2.gz GZSBXIZLJQMCMJ-NRFANRHFSA-N 0 0 346.478 4.362 50 0 EIAARN CCCCc1nc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)s1 ZINC000058406839 564159027 /nfs/dbraw/zinc/15/90/27/564159027.db2.gz XVFWMSCHMGTKNT-UHFFFAOYSA-N 0 0 332.513 4.493 50 0 EIAARN Clc1cc(-c2ccccc2)ccc1OCCCN1CCOCC1 ZINC000031540242 564159524 /nfs/dbraw/zinc/15/95/24/564159524.db2.gz UXHRUDKGYGPMIE-UHFFFAOYSA-N 0 0 331.843 4.108 50 0 in-man EIAARN Cc1cc(C)n(CC(=O)Nc2cccc(C3SCCCS3)c2)n1 ZINC000031579272 564159583 /nfs/dbraw/zinc/15/95/83/564159583.db2.gz OYKXOJBASZRPOM-UHFFFAOYSA-N 0 0 347.509 4.007 50 0 EIAARN O=C1C[C@@H](c2cc(F)ccc2F)c2ncn(-c3ccccc3)c2N1 ZINC000031820434 564159986 /nfs/dbraw/zinc/15/99/86/564159986.db2.gz FRQXOSCLPPSBLJ-AWEZNQCLSA-N 0 0 325.318 4.274 50 0 EIAARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004082035 564160429 /nfs/dbraw/zinc/16/04/29/564160429.db2.gz DVBAEBPCDUVZPB-HRXWASAYSA-N 0 0 342.479 4.245 50 0 biogenic EIAARN CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1C1CC1 ZINC000032328929 564161188 /nfs/dbraw/zinc/16/11/88/564161188.db2.gz IJNCWXXDAHJPEM-UHFFFAOYSA-N 0 0 346.481 4.493 50 0 EIAARN CCNc1nnc(SCc2csc(-c3ccc(C)o3)n2)s1 ZINC000032329584 564161196 /nfs/dbraw/zinc/16/11/96/564161196.db2.gz GLOQZDPKAADAJM-UHFFFAOYSA-N 0 0 338.483 4.287 50 0 EIAARN Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000263433689 564161667 /nfs/dbraw/zinc/16/16/67/564161667.db2.gz SZEIBNVCKDJNSM-JQRITLKVSA-N 0 0 344.480 4.413 50 0 EIAARN Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000263433690 564161670 /nfs/dbraw/zinc/16/16/70/564161670.db2.gz SZEIBNVCKDJNSM-UWTIGNOOSA-N 0 0 344.480 4.413 50 0 EIAARN CCc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 ZINC000007988085 564161893 /nfs/dbraw/zinc/16/18/93/564161893.db2.gz YNIILDUCIQXXHN-UHFFFAOYSA-N 0 0 341.820 4.360 50 0 EIAARN CCOc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 ZINC000008007368 564162111 /nfs/dbraw/zinc/16/21/11/564162111.db2.gz SRDCMWDJMDITOD-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN CC(=O)c1ccc(OC(=O)c2cc(F)ccc2Br)cc1 ZINC000008007447 564162118 /nfs/dbraw/zinc/16/21/18/564162118.db2.gz XPPWYAUDDNQOON-UHFFFAOYSA-N 0 0 337.144 4.010 50 0 EIAARN O=C(C[C@H]1C=CCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008022775 564162209 /nfs/dbraw/zinc/16/22/09/564162209.db2.gz JHBRZUBCYPUQEX-AWEZNQCLSA-N 0 0 326.465 4.359 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000263500697 564162273 /nfs/dbraw/zinc/16/22/73/564162273.db2.gz KTDGCVJCJJVZAF-ICCXJUOJSA-N 0 0 346.229 4.350 50 0 EIAARN O=C(NC1CCCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000008076100 564162554 /nfs/dbraw/zinc/16/25/54/564162554.db2.gz YGWBTKJYPZMSJR-UHFFFAOYSA-N 0 0 349.409 4.351 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000008108605 564162742 /nfs/dbraw/zinc/16/27/42/564162742.db2.gz SOIZXXKZEWRCSI-OAHLLOKOSA-N 0 0 325.408 4.419 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc3nccn3c2)c(C(F)(F)F)c1 ZINC000171161808 564163024 /nfs/dbraw/zinc/16/30/24/564163024.db2.gz GZHNVFWYPGHREJ-UHFFFAOYSA-N 0 0 349.312 4.004 50 0 EIAARN c1ccc2c(c1)nc(-c1cccnc1)nc2Oc1ccc2c(c1)OCO2 ZINC000008146720 564163147 /nfs/dbraw/zinc/16/31/47/564163147.db2.gz KXIHZUOBEWTUDT-UHFFFAOYSA-N 0 0 343.342 4.213 50 0 EIAARN O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cccc(SC(F)F)c1 ZINC000066554677 564163352 /nfs/dbraw/zinc/16/33/52/564163352.db2.gz LBCIPPUDFCGNJH-AWEZNQCLSA-N 0 0 349.358 4.242 50 0 EIAARN C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)c1ccco1 ZINC000008193171 564163467 /nfs/dbraw/zinc/16/34/67/564163467.db2.gz FLERWEFRPOJHPM-LBPRGKRZSA-N 0 0 329.783 4.342 50 0 EIAARN CC[C@@H](NC(=O)N(C)Cc1scnc1C)c1ccc(Cl)cc1 ZINC000066698505 564163821 /nfs/dbraw/zinc/16/38/21/564163821.db2.gz BXPHJXGEEQOSBW-CQSZACIVSA-N 0 0 337.876 4.398 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1Cl ZINC000008273515 564163950 /nfs/dbraw/zinc/16/39/50/564163950.db2.gz KRYNMLKFHHRQOO-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN COc1ccccc1CNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000008277215 564163983 /nfs/dbraw/zinc/16/39/83/564163983.db2.gz CFHNEAAWCNVOCJ-UHFFFAOYSA-N 0 0 341.407 4.493 50 0 EIAARN Cc1ccc(OCCNC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000008301110 564164123 /nfs/dbraw/zinc/16/41/23/564164123.db2.gz KLAWGTBCCSKIAO-UHFFFAOYSA-N 0 0 346.430 4.229 50 0 EIAARN COc1cc(C(=O)NCc2ccccc2Cl)ccc1OCC(C)C ZINC000008311909 564164162 /nfs/dbraw/zinc/16/41/62/564164162.db2.gz SZQWOQPRHQREEQ-UHFFFAOYSA-N 0 0 347.842 4.313 50 0 EIAARN Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000008309971 564164169 /nfs/dbraw/zinc/16/41/69/564164169.db2.gz NFJILLSAWTUMQJ-NSHDSACASA-N 0 0 340.851 4.308 50 0 EIAARN Cc1n[nH]c(C)c1CCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000171386615 564164337 /nfs/dbraw/zinc/16/43/37/564164337.db2.gz LGGNEJNGIBHKJZ-FQEVSTJZSA-N 0 0 337.467 4.028 50 0 EIAARN Cc1cnc(-c2cccc(NC(=O)c3cc(-c4ccco4)on3)c2)o1 ZINC000066857519 564164440 /nfs/dbraw/zinc/16/44/40/564164440.db2.gz CMCPLYWGCSSQBC-UHFFFAOYSA-N 0 0 335.319 4.150 50 0 EIAARN CC[C@@H](NC(=O)c1c(Cl)c(C)nn1C)C12CC3CC(CC(C3)C1)C2 ZINC000008326965 564164450 /nfs/dbraw/zinc/16/44/50/564164450.db2.gz MWXRECYZLDWZID-BCFZYGEVSA-N 0 0 349.906 4.107 50 0 EIAARN Cc1noc(C(C)C)c1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000008326158 564164454 /nfs/dbraw/zinc/16/44/54/564164454.db2.gz UMZDSKGKDLGANG-UHFFFAOYSA-N 0 0 334.445 4.258 50 0 EIAARN Cc1ccccc1-c1noc(CN2CCC[C@H]2c2cccs2)n1 ZINC000008328367 564164466 /nfs/dbraw/zinc/16/44/66/564164466.db2.gz PZOBCUHTVDRRBE-HNNXBMFYSA-N 0 0 325.437 4.444 50 0 EIAARN Cc1ccccc1-c1noc(CN2CCC[C@@H]2c2cccs2)n1 ZINC000008328366 564164476 /nfs/dbraw/zinc/16/44/76/564164476.db2.gz PZOBCUHTVDRRBE-OAHLLOKOSA-N 0 0 325.437 4.444 50 0 EIAARN O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cccnc1 ZINC000008329196 564164504 /nfs/dbraw/zinc/16/45/04/564164504.db2.gz BEXUTHFBTCRQHZ-UHFFFAOYSA-N 0 0 337.376 4.258 50 0 EIAARN COc1cccc(CNC(=O)c2csc(-c3ccc(C)cc3)n2)c1 ZINC000008331667 564164556 /nfs/dbraw/zinc/16/45/56/564164556.db2.gz YJCNUFHJOPYUKH-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN COc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1F ZINC000008347784 564164674 /nfs/dbraw/zinc/16/46/74/564164674.db2.gz ITAWIYSONLORIZ-NSHDSACASA-N 0 0 344.411 4.277 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000067024735 564164933 /nfs/dbraw/zinc/16/49/33/564164933.db2.gz LAEZNIWVWJBZCD-IRXDYDNUSA-N 0 0 327.403 4.270 50 0 EIAARN Cc1ccccc1CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008394412 564165067 /nfs/dbraw/zinc/16/50/67/564165067.db2.gz NSQDZDSOMOHOII-UHFFFAOYSA-N 0 0 345.446 4.031 50 0 EIAARN C[S@](=O)c1ccccc1C(=O)OCc1c(Cl)cccc1Cl ZINC000008490447 564165423 /nfs/dbraw/zinc/16/54/23/564165423.db2.gz POURLHWPIAISRS-OAQYLSRUSA-N 0 0 343.231 4.088 50 0 EIAARN Fc1ccc(-c2nnn3c2nc(N2CCCCC2)c2ccccc23)cc1 ZINC000067262650 564165450 /nfs/dbraw/zinc/16/54/50/564165450.db2.gz UJNUKCQKVNJZBZ-UHFFFAOYSA-N 0 0 347.397 4.074 50 0 EIAARN CC(C)c1ccc([C@@H](NC(=O)CSc2nncs2)C(C)C)cc1 ZINC000008505437 564165512 /nfs/dbraw/zinc/16/55/12/564165512.db2.gz SQWWUAYPZYUYBK-INIZCTEOSA-N 0 0 349.525 4.267 50 0 EIAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc2ccccc2c(=O)o1 ZINC000008520345 564165580 /nfs/dbraw/zinc/16/55/80/564165580.db2.gz GVXCPRURFGBZAP-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1cccc(C)c1 ZINC000008587055 564165906 /nfs/dbraw/zinc/16/59/06/564165906.db2.gz SAEIXKHIYAXZFC-FQEVSTJZSA-N 0 0 333.435 4.076 50 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CC[C@H](C)[C@H](C)N(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CC1 ZINC000069778616 564172195 /nfs/dbraw/zinc/17/21/95/564172195.db2.gz OVBBZOHPPPOFAZ-KBPBESRZSA-N 0 0 345.443 4.074 50 0 EIAARN Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000069779633 564172223 /nfs/dbraw/zinc/17/22/23/564172223.db2.gz MMZPEUFZHNMHMS-GOSISDBHSA-N 0 0 348.406 4.318 50 0 EIAARN O=C(C1CCC1)N1CCC(c2nc(-c3ccccc3)cs2)CC1 ZINC000069809342 564172259 /nfs/dbraw/zinc/17/22/59/564172259.db2.gz XHBRHWGGYVSEPV-UHFFFAOYSA-N 0 0 326.465 4.316 50 0 EIAARN Cc1nc2ccc(NC(=O)Cc3coc(-c4cccs4)n3)cc2o1 ZINC000069811920 564172297 /nfs/dbraw/zinc/17/22/97/564172297.db2.gz GGCUBFJOKKUULH-UHFFFAOYSA-N 0 0 339.376 4.034 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)S[C@@H]1CCCc2ccccc21 ZINC000069896561 564172724 /nfs/dbraw/zinc/17/27/24/564172724.db2.gz YHJVPRVWUBKUPG-RHSMWYFYSA-N 0 0 343.496 4.175 50 0 EIAARN O=C(CSc1nnc(Cc2ccccc2)o1)c1c[nH]c2ccccc21 ZINC000009365000 564172999 /nfs/dbraw/zinc/17/29/99/564172999.db2.gz 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CN(Cc1ccncc1)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000077723909 564176829 /nfs/dbraw/zinc/17/68/29/564176829.db2.gz ZGPHGZKDYPKRSC-UHFFFAOYSA-N 0 0 338.455 4.126 50 0 EIAARN CO[C@H](C)c1cccc(NC(=O)N[C@H](CCCO)c2ccccc2)c1 ZINC000077699143 564176840 /nfs/dbraw/zinc/17/68/40/564176840.db2.gz PEPAMKLFSZSISP-DNVCBOLYSA-N 0 0 342.439 4.029 50 0 EIAARN CC(C)N(C[C@@H]1COc2ccccc2C1)C(=O)c1ccc(Cl)cc1 ZINC000032985070 564177478 /nfs/dbraw/zinc/17/74/78/564177478.db2.gz STGOCKRYXBNVAH-OAHLLOKOSA-N 0 0 343.854 4.442 50 0 EIAARN O=C(CSc1nnc2sc3ccccc3n12)c1ccccc1F ZINC000000390185 568414630 /nfs/dbraw/zinc/41/46/30/568414630.db2.gz ZDVUQLNPUCRFPA-UHFFFAOYSA-N 0 0 343.408 4.058 50 0 EIAARN Cc1nc(Nc2cc(C)ccn2)sc1C(=O)Nc1ccc(C)cc1 ZINC000065306308 568421443 /nfs/dbraw/zinc/42/14/43/568421443.db2.gz RNOOPLBEJOXIPV-UHFFFAOYSA-N 0 0 338.436 4.459 50 0 EIAARN COc1ccccc1-c1n[nH]c(C2CC2)c1NC(=O)c1cccs1 ZINC000034796288 568423484 /nfs/dbraw/zinc/42/34/84/568423484.db2.gz DEGXFKVITXQRAA-UHFFFAOYSA-N 0 0 339.420 4.277 50 0 EIAARN Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)o1 ZINC000007778876 1032211085 /nfs/dbraw/zinc/21/10/85/1032211085.db2.gz AUMRUAPZRTVFTD-JXWSOBEKSA-N 0 0 342.435 4.318 50 0 EIAARN CC(C)(C)Oc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cc1 ZINC000175711612 1018753048 /nfs/dbraw/zinc/75/30/48/1018753048.db2.gz BJVVPGYTWDMIRF-UHFFFAOYSA-N 0 0 345.483 4.428 50 0 EIAARN Cc1noc(C)c1C(C)(C)C(=O)N[C@H]1CCCc2ccc(C)cc21 ZINC000288544070 1020645268 /nfs/dbraw/zinc/64/52/68/1020645268.db2.gz HROIVONHLRFQIG-KRWDZBQOSA-N 0 0 326.440 4.071 50 0 EIAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000059740781 1022565702 /nfs/dbraw/zinc/56/57/02/1022565702.db2.gz IMPOGHSJTJMELD-MRXNPFEDSA-N 0 0 330.472 4.033 50 0 EIAARN CC(C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000059740138 1022566165 /nfs/dbraw/zinc/56/61/65/1022566165.db2.gz FPKJSRZOIPXKGI-HNNXBMFYSA-N 0 0 330.472 4.033 50 0 EIAARN CC(C)CC(=O)N1CCCCC[C@@H]1c1nnc(-c2ccccc2)o1 ZINC000257182440 1022656719 /nfs/dbraw/zinc/65/67/19/1022656719.db2.gz GNIWVVTXSWFZAY-MRXNPFEDSA-N 0 0 327.428 4.226 50 0 EIAARN C[C@H](C(=O)NCc1ccco1)n1cc(-c2cccc3ccccc32)cn1 ZINC000675029991 1023341431 /nfs/dbraw/zinc/34/14/31/1023341431.db2.gz FNSRSPXPZFCWNB-OAHLLOKOSA-N 0 0 345.402 4.174 50 0 EIAARN CCN(CC)C1=N[C@@H]2Nc3ccccc3N(CC)[C@@H]2[C@@H]1c1ccccc1 ZINC000016667439 1023445323 /nfs/dbraw/zinc/44/53/23/1023445323.db2.gz FEAZVMDHAGNEQZ-HBMCJLEFSA-N 0 0 348.494 4.171 50 0 EIAARN CC(C)N(Cc1ncc(C2OCCO2)s1)[C@@H](C)c1ccccc1 ZINC000292791617 1023460326 /nfs/dbraw/zinc/46/03/26/1023460326.db2.gz MMRXGPYSNTZZLG-AWEZNQCLSA-N 0 0 332.469 4.160 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1ccccc1C ZINC000013040703 1023554217 /nfs/dbraw/zinc/55/42/17/1023554217.db2.gz CYJOPCLETLXVLO-MDZDMXLPSA-N 0 0 331.847 4.461 50 0 EIAARN Cc1cccnc1CNC(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000331505294 1023662288 /nfs/dbraw/zinc/66/22/88/1023662288.db2.gz ZSFYWYZIZFZRJC-UHFFFAOYSA-N 0 0 341.430 4.055 50 0 EIAARN CC(C)Cn1cc(NC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cn1 ZINC000331681154 1023696674 /nfs/dbraw/zinc/69/66/74/1023696674.db2.gz ZEBVMRRALYYHKN-HXUWFJFHSA-N 0 0 340.471 4.125 50 0 EIAARN Cc1ccc([C@H](C)N(C)C(=O)Nc2cccnc2N2CCCC2)s1 ZINC000047540790 1023950232 /nfs/dbraw/zinc/95/02/32/1023950232.db2.gz QMUPDHBXMHMBFQ-AWEZNQCLSA-N 0 0 344.484 4.277 50 0 EIAARN O=C(Nc1nc(C2CCOCC2)cs1)C1(C(F)(F)F)CCCC1 ZINC000333396065 1023960397 /nfs/dbraw/zinc/96/03/97/1023960397.db2.gz YDPLIUCYGIPYSP-UHFFFAOYSA-N 0 0 348.390 4.098 50 0 EIAARN CC(=O)c1cc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)cs1 ZINC000012713838 1024093925 /nfs/dbraw/zinc/09/39/25/1024093925.db2.gz MJFYAIRIZLFYBP-QGZVFWFLSA-N 0 0 332.444 4.166 50 0 EIAARN Cc1nnc([C@@H]2Cc3ccccc3CN2C/C=C\c2ccc(F)cc2)o1 ZINC000255413394 1024832267 /nfs/dbraw/zinc/83/22/67/1024832267.db2.gz NZAAHWBYAOWZOL-FBQMEGEOSA-N 0 0 349.409 4.330 50 0 EIAARN O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)o1 ZINC000254292481 1024908408 /nfs/dbraw/zinc/90/84/08/1024908408.db2.gz VSCKHUVXDVEBQX-UHFFFAOYSA-N 0 0 348.771 4.411 50 0 EIAARN Oc1ccc(Br)cc1C=NNc1ccccc1Cl ZINC000254737322 1024985169 /nfs/dbraw/zinc/98/51/69/1024985169.db2.gz NRPCWGWCZVQGNP-UHFFFAOYSA-N 0 0 325.593 4.254 50 0 EIAARN Clc1ccc(-c2ccc(CN=Nc3ccc(Cl)nn3)o2)cc1 ZINC000254845404 1024992718 /nfs/dbraw/zinc/99/27/18/1024992718.db2.gz CAMNWIDILKUVAO-UHFFFAOYSA-N 0 0 333.178 4.489 50 0 EIAARN COc1cccc(Nc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)c1 ZINC000888098774 1026016834 /nfs/dbraw/zinc/01/68/34/1026016834.db2.gz ODKKBNPHLGTGLQ-DLBZAZTESA-N 0 0 337.379 4.067 50 0 EIAARN O=C(Nc1ccc(NCCC(F)(F)F)cc1)N1CCCCCC1 ZINC000888101085 1026027090 /nfs/dbraw/zinc/02/70/90/1026027090.db2.gz ANPBYLFFEWJLPW-UHFFFAOYSA-N 0 0 329.366 4.459 50 0 EIAARN Cc1cc(C)nc(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000125990412 1026065567 /nfs/dbraw/zinc/06/55/67/1026065567.db2.gz FXPKIHWMZWVYHX-MRXNPFEDSA-N 0 0 338.455 4.181 50 0 EIAARN O=C(/C=C/c1cccc2ccccc12)Nc1ccccc1-n1cncn1 ZINC000025004927 1026176238 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ZINC000411533599 1033967472 /nfs/dbraw/zinc/96/74/72/1033967472.db2.gz NAJCTKHVZOZNTO-UHFFFAOYSA-N 0 0 338.860 4.465 50 0 EIAARN Fc1cc(Br)c(Br)c(OC(F)(F)F)c1 ZINC000263624872 1035110178 /nfs/dbraw/zinc/11/01/78/1035110178.db2.gz UVIWIBICMBORNK-UHFFFAOYSA-N 0 0 337.892 4.249 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1c2ccccc2C[C@H]1C ZINC000005898197 1035451219 /nfs/dbraw/zinc/45/12/19/1035451219.db2.gz QTRVUCMNVAUZIP-OLZOCXBDSA-N 0 0 344.842 4.127 50 0 EIAARN O=C(c1ccc(O)cc1F)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000436871073 1035899658 /nfs/dbraw/zinc/89/96/58/1035899658.db2.gz PEFAYXMMAKTTRT-IBGZPJMESA-N 0 0 338.382 4.380 50 0 EIAARN c1ccc(COc2ccccc2-c2noc(C[C@@H]3CCCO3)n2)cc1 ZINC000172051791 1037833580 /nfs/dbraw/zinc/83/35/80/1037833580.db2.gz YDDFDRXFNLPPKQ-INIZCTEOSA-N 0 0 336.391 4.037 50 0 EIAARN COCc1cccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)c1 ZINC000626263558 1038225741 /nfs/dbraw/zinc/22/57/41/1038225741.db2.gz BQWDARPHTUOJLN-UHFFFAOYSA-N 0 0 346.377 4.312 50 0 EIAARN CCOc1ccccc1NC(=O)NCc1cccn1Cc1ccccc1 ZINC000006917699 1039858563 /nfs/dbraw/zinc/85/85/63/1039858563.db2.gz OKTJRNJDLPPSAL-UHFFFAOYSA-N 0 0 349.434 4.257 50 0 EIAARN Nc1c(-c2nc(-c3cccs3)cs2)cnn1-c1ccc(F)cc1 ZINC000006938077 1039887280 /nfs/dbraw/zinc/88/72/80/1039887280.db2.gz NPQLLDAVTJDKJF-UHFFFAOYSA-N 0 0 342.424 4.446 50 0 EIAARN CC1(C)Cc2cc(-c3nnc4c(C(F)(F)F)cccn34)ccc2O1 ZINC000032540708 1040795980 /nfs/dbraw/zinc/79/59/80/1040795980.db2.gz OCXWKFJPDIYOST-UHFFFAOYSA-N 0 0 333.313 4.129 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N[C@H](C)c1ccccc1 ZINC000096554435 1040927148 /nfs/dbraw/zinc/92/71/48/1040927148.db2.gz LHTYWGSEQHCTOX-YARYAAFXSA-N 0 0 345.446 4.380 50 0 EIAARN O=C(c1cccc2cn[nH]c21)N(CCC(F)(F)F)C1CCCCC1 ZINC000084620727 1041233158 /nfs/dbraw/zinc/23/31/58/1041233158.db2.gz SHGDAABHRLRHHL-UHFFFAOYSA-N 0 0 339.361 4.290 50 0 EIAARN O=c1nc(C=Cc2cccnc2)[nH]c2scc(-c3ccccc3)c21 ZINC000096759374 1041604932 /nfs/dbraw/zinc/60/49/32/1041604932.db2.gz SQKOBVOQGWWWGB-HJWRWDBZSA-N 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ZINC000823086185 1044232337 /nfs/dbraw/zinc/23/23/37/1044232337.db2.gz QFFRUYPRHLWGQI-UHFFFAOYSA-N 0 0 340.452 4.093 50 0 EIAARN O=C(Nc1nc(C2CC2)cs1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000181438878 1044315122 /nfs/dbraw/zinc/31/51/22/1044315122.db2.gz SASWDUWQWRBYEB-CYBMUJFWSA-N 0 0 347.415 4.195 50 0 EIAARN O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000901482179 1044706770 /nfs/dbraw/zinc/70/67/70/1044706770.db2.gz KEPLASKLCBCSJP-UXHICEINSA-N 0 0 348.446 4.033 50 0 EIAARN Fc1cccc(F)c1-c1ccc(CNCc2cnc3n2CCCC3)o1 ZINC000376729410 1045244554 /nfs/dbraw/zinc/24/45/54/1045244554.db2.gz PWVKMHVFEANAAW-UHFFFAOYSA-N 0 0 343.377 4.047 50 0 EIAARN COc1cccc2c1N(C(=O)c1sc(CC3CC3)nc1C)CCC2 ZINC000188521285 1045928122 /nfs/dbraw/zinc/92/81/22/1045928122.db2.gz JHVKEPUNRZECCR-UHFFFAOYSA-N 0 0 342.464 4.006 50 0 EIAARN C[C@@H]1CN(C(=O)/C=C/c2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000032740532 1045932726 /nfs/dbraw/zinc/93/27/26/1045932726.db2.gz ZZRNHZDSOUCLHD-GRPTYIHUSA-N 0 0 335.856 4.204 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)[nH]n2)cc1 ZINC000029980321 1046000535 /nfs/dbraw/zinc/00/05/35/1046000535.db2.gz LNTIHSULZPHMNA-AWEZNQCLSA-N 0 0 337.398 4.357 50 0 EIAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccn1 ZINC000032902568 1046076233 /nfs/dbraw/zinc/07/62/33/1046076233.db2.gz SUMHKXFAPKLUKY-FNORWQNLSA-N 0 0 326.705 4.406 50 0 EIAARN CCOCCCNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000032904284 1046082235 /nfs/dbraw/zinc/08/22/35/1046082235.db2.gz UHTWDNMBIAVWEF-PKNBQFBNSA-N 0 0 333.428 4.110 50 0 EIAARN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N(Cc1ccncc1)C1CC1 ZINC000264136819 1046707889 /nfs/dbraw/zinc/70/78/89/1046707889.db2.gz LIVUYMQYDGIOBL-KRWDZBQOSA-N 0 0 348.368 4.309 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCCCc2cc(Cl)ccc21 ZINC000622960239 1046862216 /nfs/dbraw/zinc/86/22/16/1046862216.db2.gz GUDFPOVFQBVIQC-UHFFFAOYSA-N 0 0 332.831 4.247 50 0 EIAARN COc1ccc(C)cc1NC(=O)/C=C\c1ccc(Br)o1 ZINC000033472103 1047319803 /nfs/dbraw/zinc/31/98/03/1047319803.db2.gz 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1049394134 /nfs/dbraw/zinc/39/41/34/1049394134.db2.gz AOTWWHPTIAGASX-UHFFFAOYSA-N 0 0 342.414 4.366 50 0 EIAARN CCOC1CC(c2nc(Cc3cc(Cl)ccc3Cl)no2)C1 ZINC000585084171 1049409311 /nfs/dbraw/zinc/40/93/11/1049409311.db2.gz CEZNCKCRBWKXNB-UHFFFAOYSA-N 0 0 327.211 4.250 50 0 EIAARN O=C(N[C@H]1CCC12CCOCC2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000585408966 1049498462 /nfs/dbraw/zinc/49/84/62/1049498462.db2.gz KZXVGUGOIAEMHH-KRWDZBQOSA-N 0 0 347.886 4.227 50 0 EIAARN CCc1nnc(-c2cccc(N[C@@H]3CCc4c(cccc4OC)C3)c2)o1 ZINC000192447444 1049501850 /nfs/dbraw/zinc/50/18/50/1049501850.db2.gz LQEZPMYLWSZOTJ-QGZVFWFLSA-N 0 0 349.434 4.277 50 0 EIAARN COCOc1ccc(NC(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000585119547 1049580439 /nfs/dbraw/zinc/58/04/39/1049580439.db2.gz KMMJTFNRLFGCAA-UHFFFAOYSA-N 0 0 340.832 4.048 50 0 EIAARN CCCN1CCC[C@@H]1c1nc(C2(c3cccc(OC)c3)CCC2)no1 ZINC000952845745 1049676210 /nfs/dbraw/zinc/67/62/10/1049676210.db2.gz PZDJWVFETKPGOS-QGZVFWFLSA-N 0 0 341.455 4.095 50 0 EIAARN Cc1ccc([C@H](NCc2cnn(C(C)C)c2)c2cccnc2)cc1C ZINC000952871950 1049678204 /nfs/dbraw/zinc/67/82/04/1049678204.db2.gz HSTFICJXDPFBAJ-NRFANRHFSA-N 0 0 334.467 4.355 50 0 EIAARN CCc1ccc(-c2noc([C@@H]3CCCN3C(=O)C(C)(C)C)n2)cc1 ZINC000952880550 1049680930 /nfs/dbraw/zinc/68/09/30/1049680930.db2.gz BWYVJSLLNIMQBC-HNNXBMFYSA-N 0 0 327.428 4.009 50 0 EIAARN CC(C)(C)NC(=O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1 ZINC000952963830 1049681967 /nfs/dbraw/zinc/68/19/67/1049681967.db2.gz KLSBTZNRMJYPBO-UHFFFAOYSA-N 0 0 343.427 4.268 50 0 EIAARN O=C(Cc1cccs1)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000952977095 1049686283 /nfs/dbraw/zinc/68/62/83/1049686283.db2.gz OLKONVDHRLGIDH-MRXNPFEDSA-N 0 0 329.465 4.010 50 0 EIAARN Cc1ccccc1SC1CCN(C(=O)CCc2ccncc2)CC1 ZINC000952984610 1049688871 /nfs/dbraw/zinc/68/88/71/1049688871.db2.gz XJCJGLVWKUQGJN-UHFFFAOYSA-N 0 0 340.492 4.106 50 0 EIAARN CCCc1nc(C(=O)Nc2ccc3c(c2)nc(C)n3CCC)cs1 ZINC000952984060 1049689561 /nfs/dbraw/zinc/68/95/61/1049689561.db2.gz UBIWTVZENQEUIC-UHFFFAOYSA-N 0 0 342.468 4.416 50 0 EIAARN Cc1scc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1C ZINC000180044424 1049830972 /nfs/dbraw/zinc/83/09/72/1049830972.db2.gz ZSILGZJCQHXSEF-MRXNPFEDSA-N 0 0 335.856 4.232 50 0 EIAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNc1nnc(C2CC2)o1 ZINC000181516202 1050171673 /nfs/dbraw/zinc/17/16/73/1050171673.db2.gz PJHZQOWNORFDKA-UHFFFAOYSA-N 0 0 343.818 4.015 50 0 EIAARN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cccn1C1CCCC1 ZINC000181530074 1050185073 /nfs/dbraw/zinc/18/50/73/1050185073.db2.gz KLDZVDJWIUWGFF-UHFFFAOYSA-N 0 0 337.423 4.130 50 0 EIAARN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1scnc1C1CC1 ZINC000182456290 1050671636 /nfs/dbraw/zinc/67/16/36/1050671636.db2.gz QGWPYXMEJIIJGU-ZDUSSCGKSA-N 0 0 348.855 4.318 50 0 EIAARN C[C@@H](NC(=O)c1cccc2c3c([nH]c21)CCCC3)c1cncc(F)c1 ZINC000679172984 1052649847 /nfs/dbraw/zinc/64/98/47/1052649847.db2.gz ZODIBCUSYWCPSO-GFCCVEGCSA-N 0 0 337.398 4.072 50 0 EIAARN O[C@H]1CCOc2c(NCc3ccsc3C(F)(F)F)cccc21 ZINC000527694034 1053473855 /nfs/dbraw/zinc/47/38/55/1053473855.db2.gz UHYDRJHGKDQZGX-LBPRGKRZSA-N 0 0 329.343 4.195 50 0 EIAARN CC(=O)Oc1ccc(C(=O)Cc2ccc3ccccc3n2)c(O)c1C ZINC000101588851 1054444270 /nfs/dbraw/zinc/44/42/70/1054444270.db2.gz PPOMQQOMFPGHKL-WQRHYEAKSA-N 0 0 335.359 4.230 50 0 EIAARN CCc1ccc(-c2nc(SCC(=O)c3ccc(C)cc3)n[nH]2)cc1 ZINC000032388438 1055048909 /nfs/dbraw/zinc/04/89/09/1055048909.db2.gz YUDOOBVUPCMNRM-UHFFFAOYSA-N 0 0 337.448 4.318 50 0 EIAARN Cc1ccc2[nH]cc(CCC(=O)Nc3cnn([C@@H](C)C4CC4)c3)c2c1 ZINC000186426267 1055729821 /nfs/dbraw/zinc/72/98/21/1055729821.db2.gz PQSCGZQKKQRZAK-AWEZNQCLSA-N 0 0 336.439 4.215 50 0 EIAARN Cc1ccc(OCC[C@@H]2CCN(C(=O)c3cccc(F)c3)C2)cc1 ZINC000581788268 1059991898 /nfs/dbraw/zinc/99/18/98/1059991898.db2.gz DWRFXERPTOHNMS-INIZCTEOSA-N 0 0 327.399 4.065 50 0 EIAARN O=C(c1cc(F)ccc1F)N1CC[C@H](CCOc2ccccc2F)C1 ZINC000581788705 1059994049 /nfs/dbraw/zinc/99/40/49/1059994049.db2.gz STMKJWJJUYBKKY-CYBMUJFWSA-N 0 0 349.352 4.035 50 0 EIAARN Cc1cnc(-c2ccccc2)n1[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC000581807292 1060018934 /nfs/dbraw/zinc/01/89/34/1060018934.db2.gz HOBLDRFZJYUUKV-KRWDZBQOSA-N 0 0 337.448 4.007 50 0 EIAARN Cc1cnc(-c2ccccc2)n1[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581807306 1060018972 /nfs/dbraw/zinc/01/89/72/1060018972.db2.gz HUKBUCYZUDMKOD-IBGZPJMESA-N 0 0 337.467 4.212 50 0 EIAARN CCCn1c(C)cnc1C[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581816654 1060023068 /nfs/dbraw/zinc/02/30/68/1060023068.db2.gz JJOWDQPPBVUOIP-LJQANCHMSA-N 0 0 345.531 4.353 50 0 EIAARN CC(C)CC(=O)N1CCC2(CC1)C[C@H](Cc1ccc(F)cc1)CCO2 ZINC000581818226 1060025393 /nfs/dbraw/zinc/02/53/93/1060025393.db2.gz HYKSXVYRNHQQNE-SFHVURJKSA-N 0 0 347.474 4.202 50 0 EIAARN CC(C)CC(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)CCO2 ZINC000581818876 1060028600 /nfs/dbraw/zinc/02/86/00/1060028600.db2.gz UGIYTOYXXMSXJU-IBGZPJMESA-N 0 0 329.484 4.063 50 0 EIAARN O=C(OC[C@@H]1CCOC1)c1cc(-c2cccs2)nc2ccccc21 ZINC000050472895 214058479 /nfs/dbraw/zinc/05/84/79/214058479.db2.gz NDLDPCYECZUVRU-CYBMUJFWSA-N 0 0 339.416 4.157 50 0 EIAARN CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc21 ZINC000004735813 210264484 /nfs/dbraw/zinc/26/44/84/210264484.db2.gz DDJZFSLLOAFTIP-UHFFFAOYSA-N 0 0 343.404 4.053 50 0 EIAARN COc1ccc(NC(=O)Nc2cccc(Br)c2)cc1F ZINC000051354387 214090239 /nfs/dbraw/zinc/09/02/39/214090239.db2.gz YCWBWKHTIZHARN-UHFFFAOYSA-N 0 0 339.164 4.241 50 0 EIAARN c1ccc2nc(NCc3ccc(N4CCCCCC4)nc3)cnc2c1 ZINC000052334377 214126385 /nfs/dbraw/zinc/12/63/85/214126385.db2.gz RDCARJQAULJBSL-UHFFFAOYSA-N 0 0 333.439 4.017 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C)c(NC(C)=O)c2C)C1(C)C ZINC000004717204 210257584 /nfs/dbraw/zinc/25/75/84/210257584.db2.gz UBMUQOIKALRVBB-RDJZCZTQSA-N 0 0 328.456 4.439 50 0 EIAARN C/C=C/c1ccc(OCc2csc(-c3cnn(C)c3)n2)c(OC)c1 ZINC000053453482 214183633 /nfs/dbraw/zinc/18/36/33/214183633.db2.gz CJNIPLYOBDSHAZ-SNAWJCMRSA-N 0 0 341.436 4.164 50 0 EIAARN CCc1cccc(C)c1NC(=O)NCc1ccccc1Cn1cccn1 ZINC000054020362 214210792 /nfs/dbraw/zinc/21/07/92/214210792.db2.gz UUCYDHOQNHMFDU-UHFFFAOYSA-N 0 0 348.450 4.124 50 0 EIAARN CCSCCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000054012145 214210798 /nfs/dbraw/zinc/21/07/98/214210798.db2.gz KDGVHBHHBUMIGS-UHFFFAOYSA-N 0 0 331.485 4.137 50 0 EIAARN C[C@@H]1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000004696165 210250614 /nfs/dbraw/zinc/25/06/14/210250614.db2.gz XBQQSKDHKLLHLN-GPMSIDNRSA-N 0 0 341.476 4.156 50 0 EIAARN Cc1nn(C)c(C)c1CN(C(=O)c1ccc(Cl)cc1C)C(C)C ZINC000055119763 214276127 /nfs/dbraw/zinc/27/61/27/214276127.db2.gz KMHOZJWCNURSSU-UHFFFAOYSA-N 0 0 333.863 4.050 50 0 EIAARN c1csc(CN(Cc2nc3ccccc3[nH]2)Cc2ccccc2)n1 ZINC000055120268 214276691 /nfs/dbraw/zinc/27/66/91/214276691.db2.gz UHMXJIBVXXJAQG-UHFFFAOYSA-N 0 0 334.448 4.222 50 0 EIAARN CCc1ccc(OCc2nnc(NC(=O)C3CCCCC3)s2)cc1 ZINC000004695026 210250376 /nfs/dbraw/zinc/25/03/76/210250376.db2.gz BTHKOZPHYMTZCJ-UHFFFAOYSA-N 0 0 345.468 4.198 50 0 EIAARN O=C([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000055119838 214276851 /nfs/dbraw/zinc/27/68/51/214276851.db2.gz SNYSYTUGGRUQDD-GOSISDBHSA-N 0 0 339.435 4.078 50 0 EIAARN CCCCc1nc(CN(Cc2nccs2)Cc2ccccc2)c[nH]1 ZINC000055131922 214278293 /nfs/dbraw/zinc/27/82/93/214278293.db2.gz MZJCIVVZQGCXPF-UHFFFAOYSA-N 0 0 340.496 4.411 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)[C@H](CC)n2cccc2)cc1Cl ZINC000055269584 214298159 /nfs/dbraw/zinc/29/81/59/214298159.db2.gz JJRQKIIFSXDFAV-HNNXBMFYSA-N 0 0 333.819 4.080 50 0 EIAARN Cc1ccc(N[C@](C)(C(=O)NCc2ccccn2)c2ccccc2)cc1 ZINC000055226208 214292133 /nfs/dbraw/zinc/29/21/33/214292133.db2.gz ZRQPYCYOKNTTIC-QFIPXVFZSA-N 0 0 345.446 4.034 50 0 EIAARN CCCCN(Cc1ccsc1)C(=O)CCc1cn2ccccc2n1 ZINC000055325463 214307591 /nfs/dbraw/zinc/30/75/91/214307591.db2.gz RBMVEMYBLSHWJJ-UHFFFAOYSA-N 0 0 341.480 4.157 50 0 EIAARN CC(C)n1cc(CN(Cc2ccsc2)Cc2cccnc2)cn1 ZINC000055270826 214299470 /nfs/dbraw/zinc/29/94/70/214299470.db2.gz RQXJWOPQSGPGRN-UHFFFAOYSA-N 0 0 326.469 4.123 50 0 EIAARN C[C@H](c1nccs1)N(C)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000055308777 214304976 /nfs/dbraw/zinc/30/49/76/214304976.db2.gz AMAWKRPAMGECOJ-CYBMUJFWSA-N 0 0 338.432 4.349 50 0 EIAARN Cc1ccc(Oc2ncccc2CNCc2ccccn2)c(F)c1F ZINC000055341120 214308714 /nfs/dbraw/zinc/30/87/14/214308714.db2.gz OQRWBMABOPUAGR-UHFFFAOYSA-N 0 0 341.361 4.145 50 0 EIAARN CCN(Cc1cccc(OC)c1OC)c1nc(C)nc2sccc21 ZINC000055343713 214309920 /nfs/dbraw/zinc/30/99/20/214309920.db2.gz XXBJAWJWMMNSIT-UHFFFAOYSA-N 0 0 343.452 4.043 50 0 EIAARN CCCc1cc(=O)oc2c1ccc1c2CN(Cc2ccccc2)CO1 ZINC000055393823 214319035 /nfs/dbraw/zinc/31/90/35/214319035.db2.gz AOGGHVDARUESES-UHFFFAOYSA-N 0 0 335.403 4.098 50 0 EIAARN CCc1cc([C@@H](C)NC(=O)CSCc2ccccc2Cl)on1 ZINC000055413712 214321355 /nfs/dbraw/zinc/32/13/55/214321355.db2.gz HVNZIWNSVIJCPR-LLVKDONJSA-N 0 0 338.860 4.001 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000055540329 214328515 /nfs/dbraw/zinc/32/85/15/214328515.db2.gz KCHFPVONEKSDIU-IBGZPJMESA-N 0 0 327.399 4.131 50 0 EIAARN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccsc1 ZINC000055753149 214339882 /nfs/dbraw/zinc/33/98/82/214339882.db2.gz WNYBHOWESLUAKJ-UHFFFAOYSA-N 0 0 342.464 4.181 50 0 EIAARN Cc1ccccc1C1(CNC(=O)c2ccccc2Cl)CCOCC1 ZINC000055760536 214341570 /nfs/dbraw/zinc/34/15/70/214341570.db2.gz RDOMORFBPXIFDT-UHFFFAOYSA-N 0 0 343.854 4.127 50 0 EIAARN O=S(=O)(/C=C/c1ccccc1)N(Cc1ccco1)C1CCCC1 ZINC000056106671 214358944 /nfs/dbraw/zinc/35/89/44/214358944.db2.gz QUWRELPOANLOJQ-WYMLVPIESA-N 0 0 331.437 4.025 50 0 EIAARN O=C(Nc1ccccc1COc1ccccc1)c1cn2ccccc2n1 ZINC000056002665 214352656 /nfs/dbraw/zinc/35/26/56/214352656.db2.gz BMMVTWORQHYQNE-UHFFFAOYSA-N 0 0 343.386 4.166 50 0 EIAARN O=C(C=C1CCCCC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000055993068 214352815 /nfs/dbraw/zinc/35/28/15/214352815.db2.gz LUBITMPHFFRJEX-HXUWFJFHSA-N 0 0 349.478 4.316 50 0 EIAARN Cc1nc(C)c([C@@H](C)NC(=O)c2cc(C3CC3)nn2C(C)(C)C)s1 ZINC000056024198 214354018 /nfs/dbraw/zinc/35/40/18/214354018.db2.gz ZKWRXQLHEZKGIY-LLVKDONJSA-N 0 0 346.500 4.080 50 0 EIAARN O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000056344213 214371894 /nfs/dbraw/zinc/37/18/94/214371894.db2.gz PERVUHHJWHZHOX-INIZCTEOSA-N 0 0 334.778 4.085 50 0 EIAARN COC(=O)N(C)c1ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000056449499 214375363 /nfs/dbraw/zinc/37/53/63/214375363.db2.gz DEGGYMYEVUKVGD-JKSUJKDBSA-N 0 0 330.428 4.066 50 0 EIAARN CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000056693287 214384128 /nfs/dbraw/zinc/38/41/28/214384128.db2.gz KQYRVLZORNXAOQ-NSHDSACASA-N 0 0 331.803 4.181 50 0 EIAARN CSc1cccc2sc(NC(=O)NCc3cccs3)nc21 ZINC000056906015 214393638 /nfs/dbraw/zinc/39/36/38/214393638.db2.gz WJPUDIXPQUFJNS-UHFFFAOYSA-N 0 0 335.479 4.401 50 0 EIAARN Cn1c(NC(=O)c2ccc(F)cc2)ncc1-c1ccc(Cl)cc1 ZINC000004678712 210244346 /nfs/dbraw/zinc/24/43/46/210244346.db2.gz FEIDGGWNNYZSQN-UHFFFAOYSA-N 0 0 329.762 4.132 50 0 EIAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)C(F)(F)F ZINC000057316734 214418377 /nfs/dbraw/zinc/41/83/77/214418377.db2.gz CPKLJRCKNWOZBL-UHFFFAOYSA-N 0 0 341.676 4.044 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057413526 214427536 /nfs/dbraw/zinc/42/75/36/214427536.db2.gz OMBZEQOSFQOLQP-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN Cc1nc2ccc(C(=O)N([C@H](C)c3ccccn3)C3CC3)cc2nc1C ZINC000057511125 214433828 /nfs/dbraw/zinc/43/38/28/214433828.db2.gz URDRMFHCKLYYMR-OAHLLOKOSA-N 0 0 346.434 4.007 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 ZINC000057413453 214425898 /nfs/dbraw/zinc/42/58/98/214425898.db2.gz LCXUTKBKWSWINT-LLVKDONJSA-N 0 0 343.789 4.360 50 0 EIAARN Cc1ccccc1OCCOC(=O)c1ccccc1Oc1cccnc1 ZINC000058159898 214486544 /nfs/dbraw/zinc/48/65/44/214486544.db2.gz QHHIXUUSWOWTMB-UHFFFAOYSA-N 0 0 349.386 4.418 50 0 EIAARN Cc1noc(C)c1CNc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C ZINC000058217546 214508119 /nfs/dbraw/zinc/50/81/19/214508119.db2.gz CCAQZJRZRCVVQE-AWEZNQCLSA-N 0 0 341.455 4.227 50 0 EIAARN Cc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)c(C)n1-c1cccnc1 ZINC000058262644 214518106 /nfs/dbraw/zinc/51/81/06/214518106.db2.gz VZIWKFCIAVFGMK-OAHLLOKOSA-N 0 0 325.456 4.138 50 0 EIAARN Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000004655870 210238653 /nfs/dbraw/zinc/23/86/53/210238653.db2.gz SCEZAXXCJQMQEX-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccccc1C ZINC000004645886 210237064 /nfs/dbraw/zinc/23/70/64/210237064.db2.gz NTJRWYGZIDXFJF-UHFFFAOYSA-N 0 0 335.455 4.189 50 0 EIAARN Cc1ccc(F)cc1NC(=O)NCCc1coc(-c2ccccc2)n1 ZINC000058313696 214542836 /nfs/dbraw/zinc/54/28/36/214542836.db2.gz BHUHMWPPJCCSAZ-UHFFFAOYSA-N 0 0 339.370 4.153 50 0 EIAARN O=C(NCCCOC1CCCCC1)Nc1ccnn1C1CCCCC1 ZINC000058326943 214546218 /nfs/dbraw/zinc/54/62/18/214546218.db2.gz PEHBFJBEVRVDOE-UHFFFAOYSA-N 0 0 348.491 4.249 50 0 EIAARN O=C(NCc1ccncc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000058327897 214546275 /nfs/dbraw/zinc/54/62/75/214546275.db2.gz BAPKSPURJNJYLC-HZPDHXFCSA-N 0 0 349.459 4.058 50 0 EIAARN C[C@@H](NC(=O)/C=C\c1ccccc1)c1cccc(Br)c1 ZINC000098005560 219068370 /nfs/dbraw/zinc/06/83/70/219068370.db2.gz NLBKFLGYIVGFMZ-BSYHEUMXSA-N 0 0 330.225 4.340 50 0 EIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C)n3)c12 ZINC000058356818 214560359 /nfs/dbraw/zinc/56/03/59/214560359.db2.gz CQMHIKXFICCIJN-UHFFFAOYSA-N 0 0 344.374 4.154 50 0 EIAARN Cc1ccc(-c2csc(-c3cccc(-c4nnc(N)o4)c3)n2)s1 ZINC000063519393 214759622 /nfs/dbraw/zinc/75/96/22/214759622.db2.gz KBTGSUMYCILMTQ-UHFFFAOYSA-N 0 0 340.433 4.479 50 0 EIAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCC[C@@H](C)CC1 ZINC000058423885 214582888 /nfs/dbraw/zinc/58/28/88/214582888.db2.gz DNJLYVNFWALJEU-CQSZACIVSA-N 0 0 342.439 4.133 50 0 EIAARN CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)OC(C)(C)C)N1 ZINC000004616659 210232479 /nfs/dbraw/zinc/23/24/79/210232479.db2.gz ZHXKMYXZNYITID-AWEZNQCLSA-N 0 0 338.370 4.205 50 0 EIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000004616080 210231973 /nfs/dbraw/zinc/23/19/73/210231973.db2.gz OIAVALDOQHOGFS-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN COc1cccc(NC(=O)Nc2nnc(CC3=CCCCC3)s2)c1 ZINC000004614004 210231810 /nfs/dbraw/zinc/23/18/10/210231810.db2.gz POPKSBVORORSMO-UHFFFAOYSA-N 0 0 344.440 4.234 50 0 EIAARN COc1ccc(C2(NC(=O)/C=C\c3ccc(C)o3)CCCC2)cc1 ZINC000098055635 219075522 /nfs/dbraw/zinc/07/55/22/219075522.db2.gz KHCWOQJLAKNFDB-QXMHVHEDSA-N 0 0 325.408 4.196 50 0 EIAARN Cc1ccc(/C=C\S(=O)(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000098055081 219074650 /nfs/dbraw/zinc/07/46/50/219074650.db2.gz SGFLMHVBLGHURU-OWBHPGMISA-N 0 0 345.464 4.333 50 0 EIAARN CCC(CC)C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000004585504 210227822 /nfs/dbraw/zinc/22/78/22/210227822.db2.gz YAMZAGODCDCKSG-UHFFFAOYSA-N 0 0 349.434 4.069 50 0 EIAARN Cc1cccc(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 ZINC000004571398 210225278 /nfs/dbraw/zinc/22/52/78/210225278.db2.gz JXXWRXBGBDTJFO-MHWRWJLKSA-N 0 0 342.395 4.240 50 0 EIAARN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc1O ZINC000004571438 210225292 /nfs/dbraw/zinc/22/52/92/210225292.db2.gz AUJSUQSWVKFZNK-JDNHERCYSA-N 0 0 344.436 4.016 50 0 EIAARN 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Cc1ccc(-n2ncc3c2ncnc3NCc2ccc(Cl)cc2)cc1 ZINC000004354950 210179106 /nfs/dbraw/zinc/17/91/06/210179106.db2.gz ZGXXGWSLVKPGTE-UHFFFAOYSA-N 0 0 349.825 4.389 50 0 EIAARN COc1cccc(-c2ccc(SCC(=O)c3ccccc3)nn2)c1 ZINC000004356537 210178920 /nfs/dbraw/zinc/17/89/20/210178920.db2.gz QXWUFQFUNPNZCO-UHFFFAOYSA-N 0 0 336.416 4.127 50 0 EIAARN Cc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c(C)c1 ZINC000004357754 210178743 /nfs/dbraw/zinc/17/87/43/210178743.db2.gz IYKLRMZYWIGGRN-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)c(F)c1 ZINC000004342017 210176195 /nfs/dbraw/zinc/17/61/95/210176195.db2.gz RWQJMMVQMVZJOL-UHFFFAOYSA-N 0 0 344.317 4.312 50 0 EIAARN CC(=O)Oc1ccc2oc(=O)c(-c3ccc(Cl)cc3)c(C)c2c1 ZINC000004340690 210175640 /nfs/dbraw/zinc/17/56/40/210175640.db2.gz NJTOFBHXTIBYPZ-UHFFFAOYSA-N 0 0 328.751 4.347 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)n1C1CC1 ZINC000065158303 214834823 /nfs/dbraw/zinc/83/48/23/214834823.db2.gz MHTSKQNGGUIAQA-UHFFFAOYSA-N 0 0 348.406 4.274 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ZINC000101719807 219158862 /nfs/dbraw/zinc/15/88/62/219158862.db2.gz NBGPBDFOAILHOP-LFIBNONCSA-N 0 0 347.399 4.246 50 0 EIAARN O=C(CCn1c(=O)sc2ccccc21)Nc1cccc2ccccc21 ZINC000004121592 210126822 /nfs/dbraw/zinc/12/68/22/210126822.db2.gz FDCYUTZKOMTHLX-UHFFFAOYSA-N 0 0 348.427 4.245 50 0 EIAARN O=C(C1CCCCC1)N1CCN=C1SCc1ccc(Cl)cc1 ZINC000004120052 210125471 /nfs/dbraw/zinc/12/54/71/210125471.db2.gz WYJZYMKBZHZCGK-UHFFFAOYSA-N 0 0 336.888 4.352 50 0 EIAARN Cc1ccc(CSC2=NCCN2C(=O)c2ccc(C)c(C)c2)cc1 ZINC000004120356 210124848 /nfs/dbraw/zinc/12/48/48/210124848.db2.gz UTYAIERUAYEMDT-UHFFFAOYSA-N 0 0 338.476 4.357 50 0 EIAARN CC(C)CCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000065603587 214974718 /nfs/dbraw/zinc/97/47/18/214974718.db2.gz RAMVZBZVEURLQM-OAHLLOKOSA-N 0 0 345.418 4.018 50 0 EIAARN O=C(Nc1nnc(-c2ccco2)o1)c1ccc(Oc2ccccc2)cc1 ZINC000004107308 210122642 /nfs/dbraw/zinc/12/26/42/210122642.db2.gz RGPZXXGEYRQOFI-UHFFFAOYSA-N 0 0 347.330 4.374 50 0 EIAARN O=C1N=NC(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)O1 ZINC000004105419 210120283 /nfs/dbraw/zinc/12/02/83/210120283.db2.gz ILBMXKUDSGCGIU-UHFFFAOYSA-N 0 0 337.162 4.328 50 0 EIAARN O=C(/C=C/c1ccc(OCCCF)cc1)NCc1cccc(Cl)c1 ZINC000004092033 210119444 /nfs/dbraw/zinc/11/94/44/210119444.db2.gz IGAJFINVVBTZTE-JXMROGBWSA-N 0 0 347.817 4.408 50 0 EIAARN CC(C)COc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 ZINC000004071102 210113324 /nfs/dbraw/zinc/11/33/24/210113324.db2.gz PQPJEOHDFCEVPC-UHFFFAOYSA-N 0 0 333.815 4.392 50 0 EIAARN Cc1cccc(-c2nnc(NC(=O)c3c(F)cccc3F)s2)c1 ZINC000004072464 210113415 /nfs/dbraw/zinc/11/34/15/210113415.db2.gz BHTPKEKYICYLPB-UHFFFAOYSA-N 0 0 331.347 4.044 50 0 EIAARN Cc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1C ZINC000004072302 210112879 /nfs/dbraw/zinc/11/28/79/210112879.db2.gz NYVUCGTYUXYSGZ-UHFFFAOYSA-N 0 0 327.384 4.213 50 0 EIAARN O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc(F)cc1 ZINC000004077226 210115123 /nfs/dbraw/zinc/11/51/23/210115123.db2.gz AZKFWUSEIMGHSF-UHFFFAOYSA-N 0 0 339.395 4.011 50 0 EIAARN CCCSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 ZINC000004079405 210115006 /nfs/dbraw/zinc/11/50/06/210115006.db2.gz QZPJDAFERYJRAY-UHFFFAOYSA-N 0 0 347.387 4.311 50 0 EIAARN Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c1 ZINC000004077317 210114179 /nfs/dbraw/zinc/11/41/79/210114179.db2.gz QDGYCGFPTJMMMY-UHFFFAOYSA-N 0 0 349.459 4.109 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1ccc(Br)cc1F ZINC000004070167 210111602 /nfs/dbraw/zinc/11/16/02/210111602.db2.gz QKYKCDCSEJICLO-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)CCCC2 ZINC000004059539 210110913 /nfs/dbraw/zinc/11/09/13/210110913.db2.gz NGUMGFZDXICMOY-UHFFFAOYSA-N 0 0 335.432 4.336 50 0 EIAARN Cc1cc2cc(CNC(=O)C34CC5CC(CC(C5)C3)C4)ccc2n1C ZINC000004061469 210109959 /nfs/dbraw/zinc/10/99/59/210109959.db2.gz PKIAWTMRIZFXCS-UHFFFAOYSA-N 0 0 336.479 4.319 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2c(c1)CCCC2 ZINC000004059533 210109999 /nfs/dbraw/zinc/10/99/99/210109999.db2.gz GMHXUZZLTDVSFU-UHFFFAOYSA-N 0 0 335.432 4.336 50 0 EIAARN Clc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1 ZINC000004056713 210109280 /nfs/dbraw/zinc/10/92/80/210109280.db2.gz HEDWETQQXGZNDG-UHFFFAOYSA-N 0 0 329.856 4.276 50 0 EIAARN O=C(NCc1ccccc1-n1cccc1)c1cccc(C(F)(F)F)c1 ZINC000004054802 210108586 /nfs/dbraw/zinc/10/85/86/210108586.db2.gz AVPLZCIHZNMMPL-UHFFFAOYSA-N 0 0 344.336 4.426 50 0 EIAARN COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1 ZINC000046018460 213773797 /nfs/dbraw/zinc/77/37/97/213773797.db2.gz BJQVQMSYAJGYND-SFHVURJKSA-N 0 0 338.407 4.151 50 0 EIAARN COc1ccc(-c2nc(SCc3ccc(C)cc3)n[nH]2)c(OC)c1 ZINC000066006105 215003206 /nfs/dbraw/zinc/00/32/06/215003206.db2.gz VZNLHSQBIYBKHV-UHFFFAOYSA-N 0 0 341.436 4.090 50 0 EIAARN CCCC[C@@H](CC)C(=O)N[C@H](C)CNC(=O)[C@@H](CC)CCCC ZINC000101897959 219171663 /nfs/dbraw/zinc/17/16/63/219171663.db2.gz NQBVGWKSYOLZMJ-IXDOHACOSA-N 0 0 326.525 4.040 50 0 EIAARN COc1ccc(-n2ncc3c2ncnc3Nc2ccc(C)cc2C)cc1 ZINC000003912211 210093066 /nfs/dbraw/zinc/09/30/66/210093066.db2.gz LPTWLZOCRXEXNA-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908229 210091586 /nfs/dbraw/zinc/09/15/86/210091586.db2.gz LBGHTSOBJHEZHI-UHFFFAOYSA-N 0 0 326.783 4.267 50 0 EIAARN O=C(NCCc1ccccc1)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000003876369 210082765 /nfs/dbraw/zinc/08/27/65/210082765.db2.gz BPVQGXYOSGRJQB-UHFFFAOYSA-N 0 0 341.414 4.202 50 0 biogenic EIAARN Cc1nnc([C@@H](C)Sc2nnc(-c3ccc(C(C)C)cc3)o2)o1 ZINC000066260963 215029375 /nfs/dbraw/zinc/02/93/75/215029375.db2.gz XIAVIZHMBURYHR-SNVBAGLBSA-N 0 0 330.413 4.405 50 0 EIAARN Fc1cccc(Cl)c1Cc1nnc(SC[C@@H]2CCCCO2)o1 ZINC000066257788 215027678 /nfs/dbraw/zinc/02/76/78/215027678.db2.gz RZTZIOHFEALTPF-JTQLQIEISA-N 0 0 342.823 4.114 50 0 EIAARN COc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 ZINC000003770805 210075406 /nfs/dbraw/zinc/07/54/06/210075406.db2.gz ZLJUZSKQHJKXHW-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN COc1cccc(/C=C/C(=O)Nc2ccc(C)cc2Br)c1 ZINC000003603714 210063863 /nfs/dbraw/zinc/06/38/63/210063863.db2.gz XUJSSOSGNOIQET-VQHVLOKHSA-N 0 0 346.224 4.418 50 0 EIAARN Cc1sc2ncnc(OCc3nc4ccccc4s3)c2c1C ZINC000003599830 210062404 /nfs/dbraw/zinc/06/24/04/210062404.db2.gz VZNOPANLPHWOJI-UHFFFAOYSA-N 0 0 327.434 4.497 50 0 EIAARN Cc1sc2ncnc(OCC(=O)c3c[nH]c4ccccc43)c2c1C ZINC000003599845 210062274 /nfs/dbraw/zinc/06/22/74/210062274.db2.gz NQXATCOHCIIIKH-UHFFFAOYSA-N 0 0 337.404 4.051 50 0 EIAARN Cc1ccc(C(Cl)(Cl)S(=O)(=O)Cc2ccccc2)cc1 ZINC000045069252 213705006 /nfs/dbraw/zinc/70/50/06/213705006.db2.gz FUFOMDFAJQYOSJ-UHFFFAOYSA-N 0 0 329.248 4.198 50 0 EIAARN O=C(COC(=O)c1ccc(F)cc1Cl)c1c[nH]c2ccccc12 ZINC000003571446 210056803 /nfs/dbraw/zinc/05/68/03/210056803.db2.gz HJJXUKZRMIPYIB-UHFFFAOYSA-N 0 0 331.730 4.000 50 0 EIAARN CC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000003561819 210056141 /nfs/dbraw/zinc/05/61/41/210056141.db2.gz FVUBZYVTGCRNIO-UHFFFAOYSA-N 0 0 331.799 4.339 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccc(Cl)c1 ZINC000003563952 210056233 /nfs/dbraw/zinc/05/62/33/210056233.db2.gz RNDRZFKDMAEXKM-UHFFFAOYSA-N 0 0 327.733 4.218 50 0 EIAARN COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)cc(Cl)c1OC ZINC000003553973 210053033 /nfs/dbraw/zinc/05/30/33/210053033.db2.gz XYMZHHSLCQGYDK-MRXNPFEDSA-N 0 0 345.826 4.165 50 0 EIAARN Cc1ccc(C)c(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1 ZINC000102549923 219209888 /nfs/dbraw/zinc/20/98/88/219209888.db2.gz ZEFIFGVSTCXILK-OTWHNJEPSA-N 0 0 333.431 4.377 50 0 EIAARN COc1cccc(/C=C/C(=O)Oc2ccc(Br)cc2)c1 ZINC000003550184 210052009 /nfs/dbraw/zinc/05/20/09/210052009.db2.gz CTJFTVLFFUEYHM-BJMVGYQFSA-N 0 0 333.181 4.077 50 0 EIAARN Cc1cc(OCCCn2cnc3ccccc3c2=O)cc(C(C)C)c1 ZINC000003462430 210047061 /nfs/dbraw/zinc/04/70/61/210047061.db2.gz NDVAGRUOIWGSOB-UHFFFAOYSA-N 0 0 336.435 4.297 50 0 EIAARN O=C(Nc1ccccc1Br)c1c(F)cccc1Cl ZINC000003452376 210044026 /nfs/dbraw/zinc/04/40/26/210044026.db2.gz DWNIDMWYYMBHJU-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN COc1ccc(CCSc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000003453366 210044449 /nfs/dbraw/zinc/04/44/49/210044449.db2.gz SSOFGAIBUINLTI-UHFFFAOYSA-N 0 0 342.420 4.089 50 0 EIAARN C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)c1ccccc1 ZINC000003443467 210041708 /nfs/dbraw/zinc/04/17/08/210041708.db2.gz IVHOUIBBAVNOSS-CQSZACIVSA-N 0 0 348.398 4.279 50 0 EIAARN Clc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000003444224 210041774 /nfs/dbraw/zinc/04/17/74/210041774.db2.gz BCLBCJGSLCVOKO-UHFFFAOYSA-N 0 0 346.795 4.411 50 0 EIAARN O=C(c1ccc(N2CCCC2)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000066762247 215077499 /nfs/dbraw/zinc/07/74/99/215077499.db2.gz FSGANIUELFXPSA-LJQANCHMSA-N 0 0 349.478 4.092 50 0 EIAARN CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000102664276 219220452 /nfs/dbraw/zinc/22/04/52/219220452.db2.gz LIQGIGDGCZWTFC-INIZCTEOSA-N 0 0 340.452 4.370 50 0 EIAARN Cc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000102662911 219220490 /nfs/dbraw/zinc/22/04/90/219220490.db2.gz XQGMEKZBGZRBBF-LIRRHRJNSA-N 0 0 346.390 4.245 50 0 EIAARN Cc1cc(NC(=O)C2(c3ccccc3)CC2)ccc1Br ZINC000003431084 210037295 /nfs/dbraw/zinc/03/72/95/210037295.db2.gz BZAZXUVYKHUJBB-UHFFFAOYSA-N 0 0 330.225 4.428 50 0 EIAARN CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)cc1 ZINC000102673185 219221671 /nfs/dbraw/zinc/22/16/71/219221671.db2.gz RDBDNFODBLHUAL-INIZCTEOSA-N 0 0 340.452 4.234 50 0 EIAARN Cc1cc(Cl)ccc1OCCCC(=O)OCC(F)(F)C(F)F ZINC000003411530 210031368 /nfs/dbraw/zinc/03/13/68/210031368.db2.gz KBAALYVFNHWCCN-UHFFFAOYSA-N 0 0 342.716 4.251 50 0 EIAARN Cc1ccc(NC(=O)CCCc2nc3ccccc3s2)c(O)c1 ZINC000003404533 210030017 /nfs/dbraw/zinc/03/00/17/210030017.db2.gz HNPVLCSAQMJZFZ-UHFFFAOYSA-N 0 0 326.421 4.272 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(C(F)(F)F)cc1 ZINC000003403640 210030038 /nfs/dbraw/zinc/03/00/38/210030038.db2.gz VGMVBNXADIYTBR-LBPRGKRZSA-N 0 0 334.341 4.095 50 0 EIAARN Cc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1C ZINC000003402619 210028650 /nfs/dbraw/zinc/02/86/50/210028650.db2.gz NCBYUXLYQURHGM-UHFFFAOYSA-N 0 0 330.859 4.115 50 0 EIAARN CC(=O)Nc1ccc(Sc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000003396010 210027022 /nfs/dbraw/zinc/02/70/22/210027022.db2.gz IAZMRJQWUGEEQK-UHFFFAOYSA-N 0 0 333.281 4.492 50 0 EIAARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c1OC ZINC000102730134 219225403 /nfs/dbraw/zinc/22/54/03/219225403.db2.gz TTXVJOCFLPDBGL-MRXNPFEDSA-N 0 0 340.379 4.214 50 0 EIAARN CSc1nc2n(n1)[C@H](c1sccc1C)C1C(=O)C[C@H](C)CC1=N2 ZINC000102710898 219224508 /nfs/dbraw/zinc/22/45/08/219224508.db2.gz SITXGLJXAUQYLU-OQPBUACISA-N 0 0 346.481 4.287 50 0 EIAARN CC(C)(C)c1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1 ZINC000003376530 210021259 /nfs/dbraw/zinc/02/12/59/210021259.db2.gz JQBSLIQVRPPAKB-UHFFFAOYSA-N 0 0 328.456 4.129 50 0 EIAARN CC(=O)c1ccccc1NCC(=O)Nc1cccc(Cl)c1Cl ZINC000003346186 210014175 /nfs/dbraw/zinc/01/41/75/210014175.db2.gz NSJRGEXMKQHREU-UHFFFAOYSA-N 0 0 337.206 4.247 50 0 EIAARN Cc1ccccc1CN(C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000003327163 210008346 /nfs/dbraw/zinc/00/83/46/210008346.db2.gz RGRKTYQAFASMPE-UHFFFAOYSA-N 0 0 337.250 4.372 50 0 EIAARN NC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000003337032 210012457 /nfs/dbraw/zinc/01/24/57/210012457.db2.gz NGPPKLSLWCYVID-UHFFFAOYSA-N 0 0 331.375 4.097 50 0 EIAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Br)c1 ZINC000003334524 210011150 /nfs/dbraw/zinc/01/11/50/210011150.db2.gz HXQSWNZTRYNMHL-MRXNPFEDSA-N 0 0 330.225 4.257 50 0 EIAARN COc1cccc(CN(C)CC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000003335729 210011028 /nfs/dbraw/zinc/01/10/28/210011028.db2.gz HMNIPOLHAZLKJL-UHFFFAOYSA-N 0 0 340.467 4.198 50 0 EIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2ccccc2c1 ZINC000003334481 210011045 /nfs/dbraw/zinc/01/10/45/210011045.db2.gz CMMIMCMSBLDOEE-UHFFFAOYSA-N 0 0 334.375 4.059 50 0 EIAARN O=C(NCc1ccco1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000003335622 210010937 /nfs/dbraw/zinc/01/09/37/210010937.db2.gz NERJLPHYRFFSAQ-UHFFFAOYSA-N 0 0 341.794 4.442 50 0 EIAARN CC[C@H](C(=O)OCC(=O)c1c(C)[nH]c2ccccc21)c1ccccc1 ZINC000003317994 210005357 /nfs/dbraw/zinc/00/53/57/210005357.db2.gz UCPYDXPMRXXCSZ-INIZCTEOSA-N 0 0 335.403 4.396 50 0 EIAARN Cc1cc(NC(=O)c2cccc(Cl)n2)n(-c2ccc(Cl)cc2)n1 ZINC000003290136 209997926 /nfs/dbraw/zinc/99/79/26/209997926.db2.gz OVUSJNTXJHZHRA-UHFFFAOYSA-N 0 0 347.205 4.135 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)COc1ncnc2ccccc21 ZINC000003266189 209993442 /nfs/dbraw/zinc/99/34/42/209993442.db2.gz OBPXMMSZISQXES-AWEZNQCLSA-N 0 0 335.407 4.161 50 0 EIAARN Cc1ccc(-c2[nH]nc3c2cnc2cc4c(cc32)OCCO4)cc1C ZINC000067341177 215134544 /nfs/dbraw/zinc/13/45/44/215134544.db2.gz LAXAKVLMHSPRAJ-UHFFFAOYSA-N 0 0 331.375 4.166 50 0 EIAARN CC(=O)c1sc(NC(=O)c2ccccc2F)nc1-c1ccccc1 ZINC000003255491 209990985 /nfs/dbraw/zinc/99/09/85/209990985.db2.gz ZSKRDKSNLCZEKC-UHFFFAOYSA-N 0 0 340.379 4.404 50 0 EIAARN CC(C)(C)OC(=O)NCc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000043179044 213567255 /nfs/dbraw/zinc/56/72/55/213567255.db2.gz GCZOQCJTFXCCPU-UHFFFAOYSA-N 0 0 331.416 4.059 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)N[C@H]2CCSc3ccccc32)on1 ZINC000043167642 213565924 /nfs/dbraw/zinc/56/59/24/213565924.db2.gz YGXOYZALZBINNP-LSDHHAIUSA-N 0 0 343.452 4.067 50 0 EIAARN CCCC[C@H](CC)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000003231676 209983761 /nfs/dbraw/zinc/98/37/61/209983761.db2.gz RPTBYIUPRYSJTQ-LBPRGKRZSA-N 0 0 341.245 4.391 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 ZINC000003231773 209983401 /nfs/dbraw/zinc/98/34/01/209983401.db2.gz XTCMEPMWLOLMCC-UHFFFAOYSA-N 0 0 347.361 4.058 50 0 EIAARN CCc1ncc(CN(C)C(=O)Nc2c(CC)cccc2CC)s1 ZINC000067536874 215158589 /nfs/dbraw/zinc/15/85/89/215158589.db2.gz VGXJIGIDWPUNCP-UHFFFAOYSA-N 0 0 331.485 4.494 50 0 EIAARN CCCCc1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)c(C)c1 ZINC000003126194 209967689 /nfs/dbraw/zinc/96/76/89/209967689.db2.gz NOTORWQJTQSALY-UHFFFAOYSA-N 0 0 348.450 4.479 50 0 EIAARN O=C(Nc1ccc(C(=O)OCc2cccc(F)c2)cc1)c1ccccc1 ZINC000003105528 209963018 /nfs/dbraw/zinc/96/30/18/209963018.db2.gz OFCAPWBNTHJHKI-UHFFFAOYSA-N 0 0 349.361 4.435 50 0 EIAARN CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2cc(C)oc2C)ccc1Cl ZINC000067680456 215184257 /nfs/dbraw/zinc/18/42/57/215184257.db2.gz PEYJWLAMIIDRKG-JTQLQIEISA-N 0 0 349.818 4.391 50 0 EIAARN C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000067719325 215194381 /nfs/dbraw/zinc/19/43/81/215194381.db2.gz MYFMPNHOAZKRMQ-NSHDSACASA-N 0 0 340.404 4.006 50 0 EIAARN Cc1ccccc1-c1cccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000067690821 215185210 /nfs/dbraw/zinc/18/52/10/215185210.db2.gz GQKBVJYQHMQIDS-IBGZPJMESA-N 0 0 345.446 4.405 50 0 EIAARN Cc1ccccc1-c1cccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000067690822 215185735 /nfs/dbraw/zinc/18/57/35/215185735.db2.gz GQKBVJYQHMQIDS-LJQANCHMSA-N 0 0 345.446 4.405 50 0 EIAARN CCCCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(F)c1 ZINC000003025809 209953838 /nfs/dbraw/zinc/95/38/38/209953838.db2.gz SULSBLQRRKRVNH-UHFFFAOYSA-N 0 0 325.387 4.085 50 0 EIAARN CC(C)Nc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cn1 ZINC000067754351 215202655 /nfs/dbraw/zinc/20/26/55/215202655.db2.gz GOHXTJANVPDENJ-GOSISDBHSA-N 0 0 337.467 4.312 50 0 EIAARN COc1cc(C=O)ccc1OCCCOc1c(C)ccc(C)c1C 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COc1ccc(F)c(-c2nc(Cn3cnc4ccccc43)c(C)o2)c1 ZINC000067920043 215249419 /nfs/dbraw/zinc/24/94/19/215249419.db2.gz DHYNCGUJUQNAJU-UHFFFAOYSA-N 0 0 337.354 4.196 50 0 EIAARN COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000067966973 215262625 /nfs/dbraw/zinc/26/26/25/215262625.db2.gz XAINJXWWNRNNIK-AWEZNQCLSA-N 0 0 345.826 4.036 50 0 EIAARN C/C=C/CC(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067966067 215262811 /nfs/dbraw/zinc/26/28/11/215262811.db2.gz MSCJSFFBRAFVDY-ONEGZZNKSA-N 0 0 337.419 4.055 50 0 EIAARN COc1ccccc1-c1ccc(C(=O)Nc2cnc3n2CCCC3)cc1 ZINC000067973729 215263467 /nfs/dbraw/zinc/26/34/67/215263467.db2.gz JACKELHSIVYTFB-UHFFFAOYSA-N 0 0 347.418 4.147 50 0 EIAARN Cc1cc(NC(=O)C(Cl)(c2ccccc2)c2ccccc2)no1 ZINC000002784909 209913250 /nfs/dbraw/zinc/91/32/50/209913250.db2.gz QDDLMJNNIWUORA-UHFFFAOYSA-N 0 0 326.783 4.104 50 0 EIAARN Cc1cccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 ZINC000067982063 215266145 /nfs/dbraw/zinc/26/61/45/215266145.db2.gz 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COc1ccc2c(CCNC(=O)Nc3cccc(Cl)c3)c[nH]c2c1 ZINC000002226693 209832459 /nfs/dbraw/zinc/83/24/59/209832459.db2.gz QAXDDUIJFZQDGY-UHFFFAOYSA-N 0 0 343.814 4.194 50 0 EIAARN FC(F)(F)c1cnc(NCc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000068838568 215339675 /nfs/dbraw/zinc/33/96/75/215339675.db2.gz XQOGPQBSKLCHCL-UHFFFAOYSA-N 0 0 344.720 4.137 50 0 EIAARN CCCOc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000002117791 209820362 /nfs/dbraw/zinc/82/03/62/209820362.db2.gz VSIAXFYXMXWNJU-UHFFFAOYSA-N 0 0 333.815 4.319 50 0 EIAARN Cc1cccc(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000001972987 209809467 /nfs/dbraw/zinc/80/94/67/209809467.db2.gz JOABTCGOQAMQRY-UHFFFAOYSA-N 0 0 342.489 4.464 50 0 EIAARN CC(C)(C(=O)Nc1ccc(NC2CCOCC2)cc1)c1ccccc1 ZINC000069352127 215387521 /nfs/dbraw/zinc/38/75/21/215387521.db2.gz JZYKBCZNMIHQIF-UHFFFAOYSA-N 0 0 338.451 4.194 50 0 EIAARN COc1cccc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 ZINC000040485144 213315293 /nfs/dbraw/zinc/31/52/93/213315293.db2.gz LXKCKLXCMRVZFM-GOSISDBHSA-N 0 0 335.407 4.082 50 0 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ZINC000040116464 213268882 /nfs/dbraw/zinc/26/88/82/213268882.db2.gz NZESECWYTOJIJD-NSHDSACASA-N 0 0 341.304 4.101 50 0 EIAARN COc1ccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1OC ZINC000040097639 213264087 /nfs/dbraw/zinc/26/40/87/213264087.db2.gz ZAHNYTQOUWOWIV-LLVKDONJSA-N 0 0 334.803 4.240 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc(F)c(F)c1 ZINC000040097576 213263890 /nfs/dbraw/zinc/26/38/90/213263890.db2.gz GYZDKCHUQSNFCS-UHFFFAOYSA-N 0 0 328.721 4.421 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000040096166 213263509 /nfs/dbraw/zinc/26/35/09/213263509.db2.gz IRWAYAJXUDSTFC-VIFPVBQESA-N 0 0 336.741 4.155 50 0 EIAARN COc1cc(C)c([C@@H](C)NC(=O)Nc2cccc(C)c2)cc1OC ZINC000040095255 213263267 /nfs/dbraw/zinc/26/32/67/213263267.db2.gz DLAMEXCGNZNFSU-CQSZACIVSA-N 0 0 328.412 4.203 50 0 EIAARN CC(C)(C)c1ncc(C(=O)N(CC(F)(F)F)c2ccccn2)s1 ZINC000069569964 215479399 /nfs/dbraw/zinc/47/93/99/215479399.db2.gz JQPKSVQTBNPQEW-UHFFFAOYSA-N 0 0 343.374 4.045 50 0 EIAARN COc1cc(OC)c(N[C@@H](C)c2nc(C(C)(C)C)no2)cc1Cl ZINC000040086342 213260281 /nfs/dbraw/zinc/26/02/81/213260281.db2.gz WWHHHSNXNIPVJD-VIFPVBQESA-N 0 0 339.823 4.211 50 0 EIAARN O=C(c1cc(-c2ccccc2Cl)on1)N1CCc2sccc2C1 ZINC000040086844 213260288 /nfs/dbraw/zinc/26/02/88/213260288.db2.gz JVKHIKZDARIKGQ-UHFFFAOYSA-N 0 0 344.823 4.255 50 0 EIAARN CCOc1ccccc1-c1noc(CN[C@H](c2ccccc2)C2CC2)n1 ZINC000040033505 213252915 /nfs/dbraw/zinc/25/29/15/213252915.db2.gz LJTVGGPYGMXVFN-HXUWFJFHSA-N 0 0 349.434 4.376 50 0 EIAARN COc1ccc(Cc2nnc(SCCCc3ccccc3)o2)cc1 ZINC000039978310 213248055 /nfs/dbraw/zinc/24/80/55/213248055.db2.gz XUQYMHLNHBUNCH-UHFFFAOYSA-N 0 0 340.448 4.394 50 0 EIAARN Cc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2ccco2)Cc2cccnc2)c1 ZINC000069652841 215514475 /nfs/dbraw/zinc/51/44/75/215514475.db2.gz HNZXMRABPJUPER-LEWJYISDSA-N 0 0 346.430 4.316 50 0 EIAARN CC(C)(CNC(=O)c1ccc(F)cc1)SCc1ccc(F)cc1 ZINC000001403538 209741668 /nfs/dbraw/zinc/74/16/68/209741668.db2.gz QONLHCWXHXEUEW-UHFFFAOYSA-N 0 0 335.419 4.407 50 0 EIAARN Nc1c(Br)cc(-c2ccccc2)cc1Br ZINC000039176983 213231256 /nfs/dbraw/zinc/23/12/56/213231256.db2.gz YQZVEDKKWNYZSF-UHFFFAOYSA-N 0 0 327.019 4.461 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000038860489 213229650 /nfs/dbraw/zinc/22/96/50/213229650.db2.gz OSXANKWFZOQAMU-UHFFFAOYSA-N 0 0 345.324 4.203 50 0 EIAARN Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4cc(C)ccc4C)C3)n2)cc1 ZINC000038913644 213229551 /nfs/dbraw/zinc/22/95/51/213229551.db2.gz COPNKXGOESYROY-QGZVFWFLSA-N 0 0 347.418 4.182 50 0 EIAARN COc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 ZINC000001121692 209711567 /nfs/dbraw/zinc/71/15/67/209711567.db2.gz OLKJXCXWZDGGJK-UHFFFAOYSA-N 0 0 341.263 4.489 50 0 EIAARN O=C(/C=C/c1ccccc1Cl)NCc1cc(-c2ccccc2)on1 ZINC000038752422 213223633 /nfs/dbraw/zinc/22/36/33/213223633.db2.gz AIGUOEDASGPSDV-ZHACJKMWSA-N 0 0 338.794 4.325 50 0 EIAARN CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000001016148 209700130 /nfs/dbraw/zinc/70/01/30/209700130.db2.gz MEWSLKGIXJUDJV-UHFFFAOYSA-N 0 0 334.828 4.029 50 0 EIAARN O=C(Nc1cccc2nsnc21)c1csc(-c2ccccc2)n1 ZINC000038677126 213220878 /nfs/dbraw/zinc/22/08/78/213220878.db2.gz GASJJVOCGNAHTA-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN CCc1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000000857466 209692977 /nfs/dbraw/zinc/69/29/77/209692977.db2.gz ZJUXIBXMHQLVNH-GOSISDBHSA-N 0 0 346.430 4.192 50 0 EIAARN CCOC(=O)C(C)(C)[C@@](O)(CC)c1ccc2cc(OC)ccc2c1 ZINC000038642988 213218785 /nfs/dbraw/zinc/21/87/85/213218785.db2.gz BGPCDCAZLBBOTJ-HXUWFJFHSA-N 0 0 330.424 4.035 50 0 EIAARN CC(=O)c1cccc(NC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000000610151 209675386 /nfs/dbraw/zinc/67/53/86/209675386.db2.gz VISMFSTTYKBIFP-UHFFFAOYSA-N 0 0 336.435 4.376 50 0 EIAARN Cc1cc(OCc2c(F)cccc2F)c2c3c(c(=O)oc2c1)CCC3 ZINC000000611501 209676199 /nfs/dbraw/zinc/67/61/99/209676199.db2.gz BVXXHQJKQARMMP-UHFFFAOYSA-N 0 0 342.341 4.447 50 0 EIAARN Cc1ccc(-n2ncc3c2c(SCc2cccnc2)nnc3C)cc1 ZINC000038488207 213210331 /nfs/dbraw/zinc/21/03/31/213210331.db2.gz OUHYNGYMYAQIHH-UHFFFAOYSA-N 0 0 347.447 4.120 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)c4ccccc43)c2)cs1 ZINC000038488482 213209846 /nfs/dbraw/zinc/20/98/46/213209846.db2.gz NYOOLHUEGDCGSH-QGZVFWFLSA-N 0 0 348.427 4.427 50 0 EIAARN CN1C(=O)C(c2ccccc2)(c2ccccc2)C=C1c1ccccc1 ZINC000038337759 213207935 /nfs/dbraw/zinc/20/79/35/213207935.db2.gz CYNNZUKBFVAPAF-UHFFFAOYSA-N 0 0 325.411 4.486 50 0 EIAARN COc1cccc(OC)c1C(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000000559944 209665044 /nfs/dbraw/zinc/66/50/44/209665044.db2.gz JYVWPRARONXKJE-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1cccc2ccccc21 ZINC000000561750 209664718 /nfs/dbraw/zinc/66/47/18/209664718.db2.gz CEVLVWKLFYVNIV-OAHLLOKOSA-N 0 0 327.387 4.237 50 0 EIAARN CC(C)C(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 ZINC000000560764 209664462 /nfs/dbraw/zinc/66/44/62/209664462.db2.gz YSVFWUPNHXQZFU-UHFFFAOYSA-N 0 0 338.382 4.258 50 0 EIAARN Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1 ZINC000038237880 213206728 /nfs/dbraw/zinc/20/67/28/213206728.db2.gz WUDBUIUHVNECTM-UHFFFAOYSA-N 0 0 337.402 4.234 50 0 in-vitro EIAARN O=C(Nc1cccc(Cl)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000000549740 209659951 /nfs/dbraw/zinc/65/99/51/209659951.db2.gz USPAFUWHVMZPFX-UHFFFAOYSA-N 0 0 325.799 4.412 50 0 EIAARN CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(F)cc3)cc21 ZINC000000547381 209659584 /nfs/dbraw/zinc/65/95/84/209659584.db2.gz SLDHILDLXWJUBX-UHFFFAOYSA-N 0 0 342.322 4.276 50 0 EIAARN Nc1c2ccc(-c3cccnc3)nc2sc1C(=O)Nc1ccccc1 ZINC000000521231 209645318 /nfs/dbraw/zinc/64/53/18/209645318.db2.gz BDQPAXMECAMFQZ-UHFFFAOYSA-N 0 0 346.415 4.193 50 0 EIAARN CCN(CC)C(=O)C[C@@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1 ZINC000000520581 209644628 /nfs/dbraw/zinc/64/46/28/209644628.db2.gz KAOXPSMRKDCCFS-PZJWPPBQSA-N 0 0 347.499 4.027 50 0 EIAARN COc1ccc([C@H](C)NC(=O)C[C@@H](C)c2ccccc2)cc1OC ZINC000000519881 209643608 /nfs/dbraw/zinc/64/36/08/209643608.db2.gz VPRHXMASMQZGOF-CABCVRRESA-N 0 0 327.424 4.075 50 0 EIAARN CC[C@]1(C)Cc2c(sc3nc(SCC(C)C)nc(N)c23)CO1 ZINC000000507390 209639378 /nfs/dbraw/zinc/63/93/78/209639378.db2.gz XUYKKQQGOHCUJA-MRXNPFEDSA-N 0 0 337.514 4.263 50 0 EIAARN CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SC)c23)CO1 ZINC000000506358 209639708 /nfs/dbraw/zinc/63/97/08/209639708.db2.gz DXVJYLLAZAQHNQ-AWEZNQCLSA-N 0 0 326.512 4.377 50 0 EIAARN COc1ccc(-c2cc(O)c3cc(OC)c(OC)cc3c2)cc1OC ZINC000000490967 209634067 /nfs/dbraw/zinc/63/40/67/209634067.db2.gz ZXJFDCQXOXWZHQ-UHFFFAOYSA-N 0 0 340.375 4.247 50 0 biogenic EIAARN O=C(NCc1cccc(F)c1)c1cc2sccc2n1CC1CC1 ZINC000037587541 213160377 /nfs/dbraw/zinc/16/03/77/213160377.db2.gz AAZYBIJOOAEXNF-UHFFFAOYSA-N 0 0 328.412 4.182 50 0 EIAARN O=C(NCc1ccccc1F)c1cc2sccc2n1CC1CC1 ZINC000037525473 213152969 /nfs/dbraw/zinc/15/29/69/213152969.db2.gz AERRRGAXZSENBJ-UHFFFAOYSA-N 0 0 328.412 4.182 50 0 EIAARN CC(C)(C)NC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000000480376 209627675 /nfs/dbraw/zinc/62/76/75/209627675.db2.gz NGDHLKQXARAGOX-HNNXBMFYSA-N 0 0 331.843 4.482 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000000475231 209625189 /nfs/dbraw/zinc/62/51/89/209625189.db2.gz KHOKSQNHOLYGLN-CABCVRRESA-N 0 0 331.843 4.245 50 0 EIAARN Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)Cc1ccccc1 ZINC000000471180 209622098 /nfs/dbraw/zinc/62/20/98/209622098.db2.gz FOFVOROLPTVGNS-UHFFFAOYSA-N 0 0 334.375 4.022 50 0 EIAARN O=C(OCc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000000462170 209614968 /nfs/dbraw/zinc/61/49/68/209614968.db2.gz DQFOGBGAQVRHCS-UHFFFAOYSA-N 0 0 325.589 4.460 50 0 EIAARN CCc1ccc(OCC(=O)c2cc(CC)c(OC)cc2OC)cc1 ZINC000000459168 209614604 /nfs/dbraw/zinc/61/46/04/209614604.db2.gz HNFJWVCLLKMTGI-UHFFFAOYSA-N 0 0 328.408 4.090 50 0 EIAARN CCC(C)(C)NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F ZINC000036718997 213113554 /nfs/dbraw/zinc/11/35/54/213113554.db2.gz LSINUKDFTOTHKQ-SOFGYWHQSA-N 0 0 349.324 4.207 50 0 EIAARN O=C(Nc1nccs1)c1csc(-c2cc3ccccc3[nH]2)n1 ZINC000036708167 213112235 /nfs/dbraw/zinc/11/22/35/213112235.db2.gz HYTXHHVZVLUODU-UHFFFAOYSA-N 0 0 326.406 4.000 50 0 EIAARN Cc1csc(NC(=O)c2cc(Br)c(C)c(C)c2C)n1 ZINC000000453298 209609783 /nfs/dbraw/zinc/60/97/83/209609783.db2.gz TVGOXCCYBOWUTL-UHFFFAOYSA-N 0 0 339.258 4.392 50 0 EIAARN Fc1ccccc1OCCSc1nnc2sc3ccccc3n12 ZINC000036676701 213110179 /nfs/dbraw/zinc/11/01/79/213110179.db2.gz LEOGFJVGYMEZQS-UHFFFAOYSA-N 0 0 345.424 4.254 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000000451918 209609304 /nfs/dbraw/zinc/60/93/04/209609304.db2.gz PCFCEWSQHINEPG-JTQLQIEISA-N 0 0 342.197 4.216 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1 ZINC000000451919 209609355 /nfs/dbraw/zinc/60/93/55/209609355.db2.gz PCFCEWSQHINEPG-SNVBAGLBSA-N 0 0 342.197 4.216 50 0 EIAARN O=C(Nc1nnc(C2CCCCC2)o1)c1ccc(C(F)(F)F)cc1 ZINC000036652062 213107849 /nfs/dbraw/zinc/10/78/49/213107849.db2.gz MLGTYFKJKGNASZ-UHFFFAOYSA-N 0 0 339.317 4.388 50 0 EIAARN Cc1c2ccccc2oc1-c1nnc2n1N=C(c1ccccc1)CS2 ZINC000036649169 213107445 /nfs/dbraw/zinc/10/74/45/213107445.db2.gz HVBQCFYLMQCXLQ-UHFFFAOYSA-N 0 0 346.415 4.358 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)c(C)c1 ZINC000036620377 213105195 /nfs/dbraw/zinc/10/51/95/213105195.db2.gz NUBINKUAVXQAQI-LJQANCHMSA-N 0 0 343.492 4.446 50 0 EIAARN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000036620991 213105236 /nfs/dbraw/zinc/10/52/36/213105236.db2.gz DBMYBFHEIQVDCD-QGZVFWFLSA-N 0 0 335.856 4.174 50 0 EIAARN O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]1c1ccccc1F ZINC000036621020 213104866 /nfs/dbraw/zinc/10/48/66/213104866.db2.gz OZNBQNACPKBWEV-GFCCVEGCSA-N 0 0 345.848 4.066 50 0 EIAARN O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1ccccc1F ZINC000036621019 213104496 /nfs/dbraw/zinc/10/44/96/213104496.db2.gz OZNBQNACPKBWEV-LBPRGKRZSA-N 0 0 345.848 4.066 50 0 EIAARN Cc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccncc4)c32)cc1 ZINC000036618479 213104229 /nfs/dbraw/zinc/10/42/29/213104229.db2.gz MJDQBIRWGWSJIU-UHFFFAOYSA-N 0 0 344.374 4.154 50 0 EIAARN O=C1C[C@H](c2ccc(F)c(F)c2)c2ncn(-c3ccccc3F)c2N1 ZINC000036366902 213090727 /nfs/dbraw/zinc/09/07/27/213090727.db2.gz JNRKIXZJGDJCFI-LLVKDONJSA-N 0 0 343.308 4.413 50 0 EIAARN O=C1C[C@H](c2cccc(O)c2)c2ncn(-c3ccc(Cl)cc3)c2N1 ZINC000036366154 213090672 /nfs/dbraw/zinc/09/06/72/213090672.db2.gz GUQGBMAMCZHNQA-OAHLLOKOSA-N 0 0 339.782 4.355 50 0 EIAARN O=C1C[C@H](c2cccc(F)c2)c2sc(N3CCCCC3)nc2N1 ZINC000036359397 213089961 /nfs/dbraw/zinc/08/99/61/213089961.db2.gz JYWBWMSRBWOWPI-CYBMUJFWSA-N 0 0 331.416 4.396 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2)c2sc(N3CCCCC3)nc2N1 ZINC000036359328 213089493 /nfs/dbraw/zinc/08/94/93/213089493.db2.gz WBZCMPIAXNWLQM-CYBMUJFWSA-N 0 0 331.416 4.396 50 0 EIAARN Fc1ccc(CN2CCCn3cccc3[C@@H]2c2ccoc2)c(F)c1 ZINC000036348284 213085673 /nfs/dbraw/zinc/08/56/73/213085673.db2.gz OJUAWFFQCWBYDC-IBGZPJMESA-N 0 0 328.362 4.355 50 0 EIAARN O=C1C[C@H](c2ccc(O)cc2)c2ncn(-c3ccccc3Cl)c2N1 ZINC000036357350 213088694 /nfs/dbraw/zinc/08/86/94/213088694.db2.gz ULFAADPOFHYTCX-CYBMUJFWSA-N 0 0 339.782 4.355 50 0 EIAARN Clc1ccc(Cl)c(-c2nnc3sc(C4CCC4)nn32)c1 ZINC000036352801 213087863 /nfs/dbraw/zinc/08/78/63/213087863.db2.gz KUZPJCCTEKXCIE-UHFFFAOYSA-N 0 0 325.224 4.427 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](OCc3cc(F)cc(F)c3)C2)cc1 ZINC000036315355 213083952 /nfs/dbraw/zinc/08/39/52/213083952.db2.gz RYKJNIXQOIRUET-LJQANCHMSA-N 0 0 345.389 4.095 50 0 EIAARN Cc1ccc(CO[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000036314748 213083448 /nfs/dbraw/zinc/08/34/48/213083448.db2.gz NNEKJXXHQYMPOG-LJQANCHMSA-N 0 0 343.854 4.470 50 0 EIAARN CC(=O)N(Cc1csc(COc2ccc(C)c(C)c2)n1)CC(C)C ZINC000036106859 213069333 /nfs/dbraw/zinc/06/93/33/213069333.db2.gz NPQYIYCEAZBXGC-UHFFFAOYSA-N 0 0 346.496 4.343 50 0 EIAARN CC(=O)N(Cc1csc(COc2cccc(Cl)c2)n1)C(C)C ZINC000036106661 213069371 /nfs/dbraw/zinc/06/93/71/213069371.db2.gz CIOBNLMJAUQEEZ-UHFFFAOYSA-N 0 0 338.860 4.132 50 0 EIAARN COCCn1ccc2c1cccc2NC(=O)c1cccc2c1ccn2C ZINC000070666496 215703428 /nfs/dbraw/zinc/70/34/28/215703428.db2.gz UVOHKOZFQFSQFL-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 biogenic EIAARN CC(=O)N(Cc1csc(COc2cc(C)cc(C)c2C)n1)C1CC1 ZINC000036106031 213068676 /nfs/dbraw/zinc/06/86/76/213068676.db2.gz JHPRPXZLIAWQPC-UHFFFAOYSA-N 0 0 344.480 4.158 50 0 EIAARN CCc1ccccc1NC(=O)c1ccc(Oc2nccc(C)n2)cc1 ZINC000070655620 215702598 /nfs/dbraw/zinc/70/25/98/215702598.db2.gz UANDRVGVFZAMIJ-UHFFFAOYSA-N 0 0 333.391 4.392 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000441562 209601375 /nfs/dbraw/zinc/60/13/75/209601375.db2.gz DHWICLONOSPONF-UHFFFAOYSA-N 0 0 345.704 4.500 50 0 EIAARN CCCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(C)c1 ZINC000035562326 213038993 /nfs/dbraw/zinc/03/89/93/213038993.db2.gz WNMBHHCLGKJXOX-UHFFFAOYSA-N 0 0 349.434 4.177 50 0 EIAARN Fc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000035476599 213031048 /nfs/dbraw/zinc/03/10/48/213031048.db2.gz KKIIFUFJDWUQRG-UHFFFAOYSA-N 0 0 348.337 4.008 50 0 EIAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000035476410 213031101 /nfs/dbraw/zinc/03/11/01/213031101.db2.gz YGKFSBPNQBUPCI-LJQANCHMSA-N 0 0 343.492 4.446 50 0 EIAARN CCCCNC(=O)c1nc2ccccc2c(Nc2ccc(CC)cc2)n1 ZINC000035430071 213026695 /nfs/dbraw/zinc/02/66/95/213026695.db2.gz GOEUNKZHWWIQFT-UHFFFAOYSA-N 0 0 348.450 4.466 50 0 EIAARN Cc1ccsc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000035419396 213025428 /nfs/dbraw/zinc/02/54/28/213025428.db2.gz YYPUBJYXOYHWJS-UHFFFAOYSA-N 0 0 328.389 4.137 50 0 EIAARN Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccccc3)n2)c1 ZINC000035319187 213021436 /nfs/dbraw/zinc/02/14/36/213021436.db2.gz UZFIZSRXGDKDMF-KRWDZBQOSA-N 0 0 348.406 4.414 50 0 EIAARN c1cn(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c(-c2cccnc2)n1 ZINC000071415662 215770505 /nfs/dbraw/zinc/77/05/05/215770505.db2.gz IBRNFQOPOKBKGO-UHFFFAOYSA-N 0 0 337.386 4.478 50 0 EIAARN Cc1ccc(NC(=O)N2CCc3c(c4cc(F)ccc4n3C)C2)cc1 ZINC000034928515 213001045 /nfs/dbraw/zinc/00/10/45/213001045.db2.gz ZKLZCVYKZIRDKU-UHFFFAOYSA-N 0 0 337.398 4.216 50 0 EIAARN COc1cccc(-c2n[nH]c(C3CC3)c2NC(=O)CC(C)(C)C)c1 ZINC000034796134 212989166 /nfs/dbraw/zinc/98/91/66/212989166.db2.gz RMRXLXXRTPDWHW-UHFFFAOYSA-N 0 0 327.428 4.337 50 0 EIAARN Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000427701 209592036 /nfs/dbraw/zinc/59/20/36/209592036.db2.gz GBKRMVIUPYKTPX-HNNXBMFYSA-N 0 0 325.408 4.049 50 0 EIAARN CN1c2ccccc2C(C)(C)/C1=C\C=C1\N=C(c2ccccc2)OC1=O ZINC000033906438 212968437 /nfs/dbraw/zinc/96/84/37/212968437.db2.gz DRLIYWXDCOMNNN-ATCYZGDMSA-N 0 0 344.414 4.185 50 0 EIAARN COCc1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)o1 ZINC000071779869 215827013 /nfs/dbraw/zinc/82/70/13/215827013.db2.gz BGDJJSIFFWQUSK-INIZCTEOSA-N 0 0 345.414 4.050 50 0 EIAARN CCOC(=O)c1ccc(N[C@H]2CC(C)(C)Cc3oc(C)cc32)nc1 ZINC000071811072 215842854 /nfs/dbraw/zinc/84/28/54/215842854.db2.gz QJJORLHCVBAXTQ-HNNXBMFYSA-N 0 0 328.412 4.285 50 0 EIAARN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cccnc3Cl)c2C1 ZINC000000426620 209590063 /nfs/dbraw/zinc/59/00/63/209590063.db2.gz GVTWEMHABDZZQX-JTQLQIEISA-N 0 0 333.819 4.126 50 0 EIAARN Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)cc1C ZINC000071835010 215866105 /nfs/dbraw/zinc/86/61/05/215866105.db2.gz 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339.439 4.071 50 0 EIAARN O=C(Cc1ccc(F)cc1)N1CCc2cc(-c3ccncc3)ccc21 ZINC000225638158 241963100 /nfs/dbraw/zinc/96/31/00/241963100.db2.gz CWZRQGSRYPBWFJ-UHFFFAOYSA-N 0 0 332.378 4.020 50 0 EIAARN CO[C@@H](C)c1nsc(N(CCc2ccccc2F)C2CCCC2)n1 ZINC000225811888 242048817 /nfs/dbraw/zinc/04/88/17/242048817.db2.gz LWFXJTDTJIYNMK-ZDUSSCGKSA-N 0 0 349.475 4.376 50 0 EIAARN CCSc1ccccc1C(=O)NCc1cccnc1-c1ccncc1 ZINC000225748591 242016908 /nfs/dbraw/zinc/01/69/08/242016908.db2.gz XMFBHBNWZUAODW-UHFFFAOYSA-N 0 0 349.459 4.186 50 0 EIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)no1 ZINC000021719109 212243648 /nfs/dbraw/zinc/24/36/48/212243648.db2.gz MEJYAPWQSQWQKM-INIZCTEOSA-N 0 0 332.831 4.358 50 0 EIAARN CCCc1cc([C@H]2CCCN2C(=O)Cc2ccccc2Cl)no1 ZINC000021719341 212243688 /nfs/dbraw/zinc/24/36/88/212243688.db2.gz SIAHFODRGLYWNG-QGZVFWFLSA-N 0 0 332.831 4.187 50 0 EIAARN CCCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000021715574 212243134 /nfs/dbraw/zinc/24/31/34/212243134.db2.gz 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/nfs/dbraw/zinc/23/00/29/212230029.db2.gz WUIZMLPWBXDSLB-CQSZACIVSA-N 0 0 339.826 4.102 50 0 EIAARN Cc1cccc(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1 ZINC000021639743 212236632 /nfs/dbraw/zinc/23/66/32/212236632.db2.gz GHRHIMGRIONYIT-UHFFFAOYSA-N 0 0 348.425 4.226 50 0 EIAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1F ZINC000021108239 212208830 /nfs/dbraw/zinc/20/88/30/212208830.db2.gz VVDKJZFDDGALJL-IBGZPJMESA-N 0 0 333.366 4.300 50 0 EIAARN O=C(CSc1nccn1C1CCCC1)Nc1ccc(F)cc1F ZINC000021114513 212208705 /nfs/dbraw/zinc/20/87/05/212208705.db2.gz PBNVTFGCULGWRS-UHFFFAOYSA-N 0 0 337.395 4.007 50 0 EIAARN Cc1ccc(-n2c(Nc3ccccc3C)c3[nH]cccc-3c2=O)cc1 ZINC000021108017 212208717 /nfs/dbraw/zinc/20/87/17/212208717.db2.gz MRLLRDFQIUCXKE-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN CCOc1ccc(NC(=O)NCCCSCc2ccco2)cc1 ZINC000021148876 212211019 /nfs/dbraw/zinc/21/10/19/212211019.db2.gz DOYXYNPQBQEJHR-UHFFFAOYSA-N 0 0 334.441 4.123 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCC1=CCCCC1 ZINC000021002997 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ZINC000020888800 212181520 /nfs/dbraw/zinc/18/15/20/212181520.db2.gz MOYGIVXEEWNFKW-UHFFFAOYSA-N 0 0 329.407 4.460 50 0 EIAARN CC(C)c1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000020897342 212183660 /nfs/dbraw/zinc/18/36/60/212183660.db2.gz YUGZJATWOIRVKL-ZDUSSCGKSA-N 0 0 344.480 4.409 50 0 EIAARN Cc1nnc([C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)s1 ZINC000241926489 243005458 /nfs/dbraw/zinc/00/54/58/243005458.db2.gz UGOZZNSPLGEZMR-GBIKHYSHSA-N 0 0 337.518 4.351 50 0 EIAARN CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000242047798 243008020 /nfs/dbraw/zinc/00/80/20/243008020.db2.gz VQFHJWPPRJYXHH-WMFXKJRFSA-N 0 0 348.245 4.371 50 0 EIAARN Cc1cnc([C@@H](C)NC(=O)N2CCC=C(c3ccccc3)C2)s1 ZINC000242339251 243020472 /nfs/dbraw/zinc/02/04/72/243020472.db2.gz ZGFZUMLSQFQOSS-CQSZACIVSA-N 0 0 327.453 4.011 50 0 EIAARN CNc1nc(CN2CCc3c4ccccc4[nH]c3[C@@H]2C(C)C)cs1 ZINC000243914738 243032384 /nfs/dbraw/zinc/03/23/84/243032384.db2.gz BKECJOMOFOIXOO-SFHVURJKSA-N 0 0 340.496 4.422 50 0 EIAARN CNc1nc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 ZINC000244816793 243084021 /nfs/dbraw/zinc/08/40/21/243084021.db2.gz SOOYTJCKHROQRS-GFCCVEGCSA-N 0 0 344.509 4.174 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O ZINC000245240585 243100943 /nfs/dbraw/zinc/10/09/43/243100943.db2.gz QGISYVREUUQQKE-VFCLNGDNSA-N 0 0 332.484 4.341 50 0 EIAARN O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(F)cc1Cl ZINC000020816985 212173606 /nfs/dbraw/zinc/17/36/06/212173606.db2.gz ISEZAJUVFNXJKF-UHFFFAOYSA-N 0 0 347.798 4.341 50 0 EIAARN CCc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)nc1-c1ccc(Cl)cc1 ZINC000020775511 212170103 /nfs/dbraw/zinc/17/01/03/212170103.db2.gz KRRXFVNSYNRUCJ-ZDUSSCGKSA-N 0 0 331.847 4.017 50 0 EIAARN O=C(Oc1ccc2c(c1)onc2Cc1ccccc1F)c1ccco1 ZINC000020739519 212168232 /nfs/dbraw/zinc/16/82/32/212168232.db2.gz RWLHDPZYMVEIRT-UHFFFAOYSA-N 0 0 337.306 4.370 50 0 EIAARN O=C(Oc1ccc(Cl)cc1)C1=C(c2ccccc2)SCCO1 ZINC000020745202 212167870 /nfs/dbraw/zinc/16/78/70/212167870.db2.gz RVRKCMALOGECRD-UHFFFAOYSA-N 0 0 332.808 4.378 50 0 EIAARN Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cc1C ZINC000020615445 212156185 /nfs/dbraw/zinc/15/61/85/212156185.db2.gz CUQJLVLWAJVKFS-UHFFFAOYSA-N 0 0 347.390 4.213 50 0 EIAARN CC(=O)c1cccc(Nc2ncnc3onc(-c4ccc(F)cc4)c32)c1 ZINC000020574484 212148894 /nfs/dbraw/zinc/14/88/94/212148894.db2.gz SLPQYCQJYGTSOT-UHFFFAOYSA-N 0 0 348.337 4.370 50 0 EIAARN Fc1ccc(-c2noc3ncnc(NCc4cccs4)c32)cc1 ZINC000020574451 212148902 /nfs/dbraw/zinc/14/89/02/212148902.db2.gz UQVUEXBWMCHOGY-UHFFFAOYSA-N 0 0 326.356 4.098 50 0 EIAARN COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000020538378 212145322 /nfs/dbraw/zinc/14/53/22/212145322.db2.gz ZPZQXZSKNAXCLI-NSHDSACASA-N 0 0 334.803 4.240 50 0 EIAARN CCCn1nc(CNCc2ccccc2Cl)c(-c2ccccc2)n1 ZINC000247987351 243498180 /nfs/dbraw/zinc/49/81/80/243498180.db2.gz JFDRYXISGFCBLX-UHFFFAOYSA-N 0 0 340.858 4.298 50 0 EIAARN O=C1C[C@](O)(c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000247856391 243466805 /nfs/dbraw/zinc/46/68/05/243466805.db2.gz KAEAITWIXLBOTC-ZRBLBEILSA-N 0 0 328.411 4.415 50 0 EIAARN Cc1csc(C2(NCc3ccc(C)c(Cl)c3)CCOCC2)n1 ZINC000253432277 243990186 /nfs/dbraw/zinc/99/01/86/243990186.db2.gz YAAJDAJLHPCFHG-UHFFFAOYSA-N 0 0 336.888 4.209 50 0 EIAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000020437483 212129397 /nfs/dbraw/zinc/12/93/97/212129397.db2.gz BENMCHMOLBJVKH-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN Cc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000020357371 212122119 /nfs/dbraw/zinc/12/21/19/212122119.db2.gz VCFBHVVMRBZGST-YBEGLDIGSA-N 0 0 327.380 4.371 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000020096485 212100395 /nfs/dbraw/zinc/10/03/95/212100395.db2.gz GWPSNAKXXZYQSR-UHFFFAOYSA-N 0 0 336.435 4.486 50 0 EIAARN O=C(N[C@H](c1cccs1)c1ccccc1)c1cnc2ccccc2n1 ZINC000020018988 212093558 /nfs/dbraw/zinc/09/35/58/212093558.db2.gz UXMHSNYXFRDENU-IBGZPJMESA-N 0 0 345.427 4.211 50 0 EIAARN O=C(Nc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1 ZINC000019809923 212071161 /nfs/dbraw/zinc/07/11/61/212071161.db2.gz MEGZCXXTCSZNMI-UHFFFAOYSA-N 0 0 342.192 4.377 50 0 EIAARN Cc1ccccc1SC1CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000077505881 216924055 /nfs/dbraw/zinc/92/40/55/216924055.db2.gz HIPJGSBIQMVJII-UHFFFAOYSA-N 0 0 343.496 4.238 50 0 EIAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N1CCCC[C@@H]1CCO ZINC000077516175 216925422 /nfs/dbraw/zinc/92/54/22/216925422.db2.gz KJYQTAQWPOGAQV-CYBMUJFWSA-N 0 0 335.831 4.080 50 0 EIAARN CNc1nc(C)c(C(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 ZINC000077538412 216932163 /nfs/dbraw/zinc/93/21/63/216932163.db2.gz SGIBPFLHNDNZLY-MRXNPFEDSA-N 0 0 343.496 4.121 50 0 EIAARN Cc1cc(Cn2ccc(-c3cccc(-c4ncccc4C)c3)n2)no1 ZINC000019743973 212059953 /nfs/dbraw/zinc/05/99/53/212059953.db2.gz XXLKIBBQJZGIFO-UHFFFAOYSA-N 0 0 330.391 4.265 50 0 EIAARN Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000019736271 212058878 /nfs/dbraw/zinc/05/88/78/212058878.db2.gz CKDIHMOZPHBACK-SNVBAGLBSA-N 0 0 339.222 4.290 50 0 EIAARN O=C(CC1CCCC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000019344805 212020030 /nfs/dbraw/zinc/02/00/30/212020030.db2.gz QJOVCJJHENTKLT-AWEZNQCLSA-N 0 0 345.468 4.084 50 0 EIAARN c1cncc([C@H]2CCCCN2CN2CCCC[C@@H]2c2cccnc2)c1 ZINC000019322756 212015136 /nfs/dbraw/zinc/01/51/36/212015136.db2.gz KFIPVCUMEJOXQF-NHCUHLMSSA-N 0 0 336.483 4.188 50 0 biogenic EIAARN Clc1cccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)c1 ZINC000049581194 214020338 /nfs/dbraw/zinc/02/03/38/214020338.db2.gz WCLRDFQNTQADJO-UHFFFAOYSA-N 0 0 334.810 4.438 50 0 EIAARN Fc1cccc(Cl)c1CN1CC(c2nc(-c3cccs3)no2)C1 ZINC000049484673 214013249 /nfs/dbraw/zinc/01/32/49/214013249.db2.gz NDYJBOBHDLIKSH-UHFFFAOYSA-N 0 0 349.818 4.190 50 0 EIAARN COc1ccc(OC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 ZINC000019295752 212013213 /nfs/dbraw/zinc/01/32/13/212013213.db2.gz SWFIFTNXTDSOKU-UHFFFAOYSA-N 0 0 325.389 4.346 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)c1ccccn1 ZINC000078280472 217037019 /nfs/dbraw/zinc/03/70/19/217037019.db2.gz GNPWQMBVVOKNAR-UHFFFAOYSA-N 0 0 345.402 4.322 50 0 EIAARN C[C@@H]1C[C@H](c2ccccc2F)N(c2nccc(C(F)(F)F)n2)C1 ZINC000078503107 217065135 /nfs/dbraw/zinc/06/51/35/217065135.db2.gz YFUCARQGLFTVRO-ZWNOBZJWSA-N 0 0 325.309 4.222 50 0 EIAARN Cc1nc(CSCc2ccc(C(=O)N3CCCC3)cc2)cs1 ZINC000078555589 217075374 /nfs/dbraw/zinc/07/53/74/217075374.db2.gz KMPNPOIBLKYWPA-UHFFFAOYSA-N 0 0 332.494 4.121 50 0 EIAARN C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccccc1C(F)(F)F ZINC000078597098 217082736 /nfs/dbraw/zinc/08/27/36/217082736.db2.gz TVQAKAWAWPHMIA-SWLSCSKDSA-N 0 0 348.368 4.073 50 0 EIAARN CCOC1CCN(C(=O)N[C@H](C)c2csc3ccccc32)CC1 ZINC000078602546 217083748 /nfs/dbraw/zinc/08/37/48/217083748.db2.gz JDOXMJODFCXFSU-CYBMUJFWSA-N 0 0 332.469 4.173 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000017366961 211968265 /nfs/dbraw/zinc/96/82/65/211968265.db2.gz RRZMORGYVWZWLY-VAWYXSNFSA-N 0 0 329.359 4.246 50 0 EIAARN O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cccc(Cl)c1 ZINC000017149944 211957172 /nfs/dbraw/zinc/95/71/72/211957172.db2.gz XREAWAYNPRMRPO-UHFFFAOYSA-N 0 0 348.736 4.203 50 0 EIAARN S=C1N=NC(c2ccc(OC3CCCC3)cc2)N1Cc1ccco1 ZINC000017071422 211952494 /nfs/dbraw/zinc/95/24/94/211952494.db2.gz TYJCNMWVMWQLQG-UHFFFAOYSA-N 0 0 341.436 4.197 50 0 EIAARN O[C@@H](COc1ccccc1Cl)Cn1c2ccccc2nc1C1CC1 ZINC000016903135 211938941 /nfs/dbraw/zinc/93/89/41/211938941.db2.gz BETAEDPCXMNEQH-CQSZACIVSA-N 0 0 342.826 4.007 50 0 EIAARN CCN(C(=O)N[C@H](C)c1c(F)cccc1OC)[C@@H](C)c1cccnc1 ZINC000078946995 217154564 /nfs/dbraw/zinc/15/45/64/217154564.db2.gz NZJRMVOQOGOZRN-KGLIPLIRSA-N 0 0 345.418 4.083 50 0 EIAARN CC(C)c1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000016580418 211916358 /nfs/dbraw/zinc/91/63/58/211916358.db2.gz RHVZLMSQZTVXEP-CQSZACIVSA-N 0 0 325.408 4.072 50 0 EIAARN Fc1c(F)c(Cl)c(Cl)c(I)c1F ZINC000263624385 245467617 /nfs/dbraw/zinc/46/76/17/245467617.db2.gz PYTNLOITFVMGRR-UHFFFAOYSA-N 0 0 326.870 4.015 50 0 EIAARN O=C(C/C=C/c1ccc(F)cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000079110716 217196872 /nfs/dbraw/zinc/19/68/72/217196872.db2.gz AVWCWUKWGLLEDQ-OWOJBTEDSA-N 0 0 339.410 4.341 50 0 EIAARN C[S@@](=O)Cc1cc(NC(=O)c2ccccc2Cl)ccc1Cl ZINC000079361105 217215120 /nfs/dbraw/zinc/21/51/20/217215120.db2.gz KTNOJJSGUBXGSG-NRFANRHFSA-N 0 0 342.247 4.124 50 0 EIAARN C[S@](=O)Cc1cc(NC(=O)CCC2CCCC2)ccc1Cl ZINC000079361164 217216475 /nfs/dbraw/zinc/21/64/75/217216475.db2.gz NMJMQVXMOWGIHJ-OAQYLSRUSA-N 0 0 327.877 4.127 50 0 EIAARN Cc1ccc(Cn2cc(C(=O)Nc3c(C)cccc3C)ccc2=O)cc1 ZINC000015883145 211867105 /nfs/dbraw/zinc/86/71/05/211867105.db2.gz LMDDEHSFANGKTE-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1cccc2ccccc21 ZINC000015814828 211855457 /nfs/dbraw/zinc/85/54/57/211855457.db2.gz WINPWHFRDXXJGL-HNNXBMFYSA-N 0 0 329.399 4.493 50 0 EIAARN O=c1nc(SCc2ccccc2)c2c(n1C1CCCC1)CCC2 ZINC000015840364 211860776 /nfs/dbraw/zinc/86/07/76/211860776.db2.gz DZPHRQDQYTXIFW-UHFFFAOYSA-N 0 0 326.465 4.139 50 0 EIAARN CCOc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)cc1 ZINC000015839716 211860414 /nfs/dbraw/zinc/86/04/14/211860414.db2.gz VKLHODRFOSENSM-OAQYLSRUSA-N 0 0 346.430 4.308 50 0 EIAARN COc1cc(Cl)cc2c1OC=CC(C(=O)NC1CCCCC1)=C2 ZINC000015838698 211858634 /nfs/dbraw/zinc/85/86/34/211858634.db2.gz XRJFWELPWNLVKM-UHFFFAOYSA-N 0 0 333.815 4.087 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Oc3ccccc3F)no2)cc1 ZINC000015669823 211838925 /nfs/dbraw/zinc/83/89/25/211838925.db2.gz FCDCYMXDWUPZSK-UHFFFAOYSA-N 0 0 327.311 4.099 50 0 EIAARN COc1ccc(-c2cc(C(=O)Oc3ccccc3Cl)no2)cc1 ZINC000015669816 211838607 /nfs/dbraw/zinc/83/86/07/211838607.db2.gz MHXJHYGZLMUJQD-UHFFFAOYSA-N 0 0 329.739 4.223 50 0 EIAARN O=C(Nc1cccc2c1CCCC2)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000015582644 211832590 /nfs/dbraw/zinc/83/25/90/211832590.db2.gz UWPMHYHYRUSHEC-GOSISDBHSA-N 0 0 327.811 4.161 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(C)cc3)cc12 ZINC000015431119 211823757 /nfs/dbraw/zinc/82/37/57/211823757.db2.gz RDQFBGGDOYTZMH-UHFFFAOYSA-N 0 0 341.480 4.301 50 0 EIAARN C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)c1nc(C(C)(C)C)no1 ZINC000080560130 217313734 /nfs/dbraw/zinc/31/37/34/217313734.db2.gz HSMJCRPKQIVUPJ-RYUDHWBXSA-N 0 0 348.472 4.036 50 0 EIAARN CCN1c2ccc(Br)cc2[C@H](Cc2cccc(F)c2)C1=O ZINC000015018154 211790303 /nfs/dbraw/zinc/79/03/03/211790303.db2.gz DEXKSMRKFJGDDJ-HNNXBMFYSA-N 0 0 348.215 4.281 50 0 EIAARN COc1ccccc1OCC(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000014903678 211771928 /nfs/dbraw/zinc/77/19/28/211771928.db2.gz JDUOIYMBCWWMKE-UHFFFAOYSA-N 0 0 339.313 4.040 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000014848135 211767382 /nfs/dbraw/zinc/76/73/82/211767382.db2.gz CSFHZNBUNHAXOO-UHFFFAOYSA-N 0 0 332.403 4.320 50 0 EIAARN Cc1cc(C)n(-c2nc(C)c(C(=O)Nc3ccccc3Cl)s2)n1 ZINC000014608766 211747656 /nfs/dbraw/zinc/74/76/56/211747656.db2.gz HUUNTRSIMCOESV-UHFFFAOYSA-N 0 0 346.843 4.160 50 0 EIAARN CCCN(Cc1cccc(Cl)c1)C(=O)c1cc(CC(C)C)nn1C ZINC000082125575 217473136 /nfs/dbraw/zinc/47/31/36/217473136.db2.gz TZGGNSUIBUECPS-UHFFFAOYSA-N 0 0 347.890 4.324 50 0 EIAARN CCc1cccc(OC2CN(C(=O)c3cc(C)nc4ccccc43)C2)c1 ZINC000082127536 217473924 /nfs/dbraw/zinc/47/39/24/217473924.db2.gz HQEAANATSYJYPY-UHFFFAOYSA-N 0 0 346.430 4.009 50 0 EIAARN CC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000014049059 211673944 /nfs/dbraw/zinc/67/39/44/211673944.db2.gz LWOOXJPYCCDCKR-AWEZNQCLSA-N 0 0 336.439 4.208 50 0 EIAARN Cc1cnc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cn1 ZINC000084258330 217590327 /nfs/dbraw/zinc/59/03/27/217590327.db2.gz OEMDDGLGYHAGIJ-RDTXWAMCSA-N 0 0 339.439 4.133 50 0 EIAARN O=[S@@](C/C=C/c1ccccc1)Cc1csc(-c2ccco2)n1 ZINC000084517580 217609634 /nfs/dbraw/zinc/60/96/34/217609634.db2.gz IJFHHJNPRZDGSV-QNBZTBGESA-N 0 0 329.446 4.365 50 0 EIAARN C[C@H]1CCc2sc3ncn4c(nnc4-c4ccc(F)cc4)c3c2C1 ZINC000013726575 211622584 /nfs/dbraw/zinc/62/25/84/211622584.db2.gz IWJQHZVNFHVHEV-JTQLQIEISA-N 0 0 338.411 4.270 50 0 EIAARN COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(O)c3)s2)c1 ZINC000013723441 211620371 /nfs/dbraw/zinc/62/03/71/211620371.db2.gz CBNQROLLYOJXTG-UHFFFAOYSA-N 0 0 340.404 4.085 50 0 EIAARN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000013689271 211611716 /nfs/dbraw/zinc/61/17/16/211611716.db2.gz LGPXDLGZTDLMFL-WJDWOHSUSA-N 0 0 341.388 4.032 50 0 EIAARN Cc1ccc(NC(=S)Nc2cccc(C3N=NC(=S)O3)c2)cc1 ZINC000013687972 211610439 /nfs/dbraw/zinc/61/04/39/211610439.db2.gz BXXNTWSGWJSPJC-UHFFFAOYSA-N 0 0 342.449 4.143 50 0 EIAARN CCN(C(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 ZINC000013618605 211592798 /nfs/dbraw/zinc/59/27/98/211592798.db2.gz VZLHEFQYWDEOIH-UHFFFAOYSA-N 0 0 334.375 4.199 50 0 EIAARN COCCN(C(=S)Nc1cc(C)cc(C)c1)[C@H](C)c1ccco1 ZINC000013543436 211573759 /nfs/dbraw/zinc/57/37/59/211573759.db2.gz LUMWIKURSWMBBN-OAHLLOKOSA-N 0 0 332.469 4.303 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3Cl)no2)cc1 ZINC000013494876 211568630 /nfs/dbraw/zinc/56/86/30/211568630.db2.gz HPEUXMGAOLYJCH-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1ccccc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000013329684 211547150 /nfs/dbraw/zinc/54/71/50/211547150.db2.gz ALNPRXVSXGIPIE-UHFFFAOYSA-N 0 0 344.414 4.177 50 0 EIAARN Cc1cccc(C)c1NC(=O)CN(C)Cc1c(F)cccc1Cl ZINC000013040574 211516881 /nfs/dbraw/zinc/51/68/81/211516881.db2.gz BXHUEUVKWWDBDM-UHFFFAOYSA-N 0 0 334.822 4.166 50 0 EIAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCC2 ZINC000013022905 211515115 /nfs/dbraw/zinc/51/51/15/211515115.db2.gz OKFQGAIDEPFEHM-GFCCVEGCSA-N 0 0 330.453 4.163 50 0 EIAARN Cc1noc(C)c1[C@@H](C)NC(=O)N([C@H](C)c1ccccc1F)C1CC1 ZINC000089526298 217809281 /nfs/dbraw/zinc/80/92/81/217809281.db2.gz KTUCSNNFQHCQEB-DGCLKSJQSA-N 0 0 345.418 4.427 50 0 EIAARN Cc1ccc(/C=C/C(=O)N(C)[C@H](C)c2nc3ccccc3s2)o1 ZINC000012998735 211505374 /nfs/dbraw/zinc/50/53/74/211505374.db2.gz UNJANKSYOYKMAU-OCHBPSSRSA-N 0 0 326.421 4.431 50 0 EIAARN Cc1ccc(C)c(OCc2nnc(SC3C[C@@H](C)O[C@H](C)C3)o2)c1 ZINC000089623929 217819676 /nfs/dbraw/zinc/81/96/76/217819676.db2.gz MEYGHLNDSZQLEB-ZIAGYGMSSA-N 0 0 348.468 4.314 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1 ZINC000012945353 211491949 /nfs/dbraw/zinc/49/19/49/211491949.db2.gz LWMPCDCZZGVGLV-UHFFFAOYSA-N 0 0 341.436 4.108 50 0 EIAARN CCCCc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000012864703 211472320 /nfs/dbraw/zinc/47/23/20/211472320.db2.gz MOGBCNYIGJNIOO-UHFFFAOYSA-N 0 0 344.499 4.252 50 0 EIAARN CCCC(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000012859842 211471275 /nfs/dbraw/zinc/47/12/75/211471275.db2.gz MUUBGKCEWSVHOR-OAHLLOKOSA-N 0 0 340.423 4.140 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1OC ZINC000012854556 211470163 /nfs/dbraw/zinc/47/01/63/211470163.db2.gz NUTFRXBOHRCALQ-UHFFFAOYSA-N 0 0 339.363 4.271 50 0 EIAARN COc1ccc(/C=C/C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000012818834 211465849 /nfs/dbraw/zinc/46/58/49/211465849.db2.gz ZTNATIYROFNTAS-JXMROGBWSA-N 0 0 335.325 4.044 50 0 EIAARN CC(C)c1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000012753751 211445285 /nfs/dbraw/zinc/44/52/85/211445285.db2.gz LYWMOOTXTQSOJW-UHFFFAOYSA-N 0 0 336.435 4.118 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1Cl ZINC000012742239 211443241 /nfs/dbraw/zinc/44/32/41/211443241.db2.gz GXPFIFXJCKLHFA-VIFPVBQESA-N 0 0 341.741 4.033 50 0 EIAARN CC1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000012763098 211448345 /nfs/dbraw/zinc/44/83/45/211448345.db2.gz YMBHLZHHXUZBTL-UHFFFAOYSA-N 0 0 330.653 4.411 50 0 EIAARN Cc1ccc(C(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000012532402 211401397 /nfs/dbraw/zinc/40/13/97/211401397.db2.gz YVAKLMGGNYUMSH-CYBMUJFWSA-N 0 0 343.377 4.273 50 0 EIAARN CC(C)Cn1ccc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ccc21 ZINC000089856723 217862879 /nfs/dbraw/zinc/86/28/79/217862879.db2.gz ARVZIOZCCQCIIM-RBUKOAKNSA-N 0 0 333.435 4.435 50 0 EIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCC1 ZINC000012523590 211397850 /nfs/dbraw/zinc/39/78/50/211397850.db2.gz QTYGEFZWIUHYPX-AWEZNQCLSA-N 0 0 344.842 4.346 50 0 EIAARN CC[C@H](Nc1ccc2oc(C)nc2c1)C(=O)Nc1ccc(F)cc1 ZINC000012521781 211397397 /nfs/dbraw/zinc/39/73/97/211397397.db2.gz ZVXZOAFIKSIUOP-HNNXBMFYSA-N 0 0 327.359 4.105 50 0 EIAARN O=C(C[C@@H]1C=CCC1)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000012520733 211397421 /nfs/dbraw/zinc/39/74/21/211397421.db2.gz KDIRDPKPSOMIJE-GFCCVEGCSA-N 0 0 341.411 4.497 50 0 EIAARN C/C=C/C=C/C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000012519834 211396501 /nfs/dbraw/zinc/39/65/01/211396501.db2.gz AALMSJUNPDHMQV-MQQKCMAXSA-N 0 0 327.384 4.273 50 0 EIAARN CCCc1ccc2oc(C(=O)N(C)Cc3cc(C)no3)c(C)c2c1 ZINC000012475255 211392605 /nfs/dbraw/zinc/39/26/05/211392605.db2.gz DMLLQSKMMNEIAN-UHFFFAOYSA-N 0 0 326.396 4.262 50 0 EIAARN O=C(c1ccc(Cl)cc1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC000012441513 211383518 /nfs/dbraw/zinc/38/35/18/211383518.db2.gz GMCUGOLAHOHCSS-MRXNPFEDSA-N 0 0 336.218 4.207 50 0 EIAARN O=C(c1ccc(Cl)cc1Cl)N1CCO[C@H](c2ccccc2)C1 ZINC000012441514 211383121 /nfs/dbraw/zinc/38/31/21/211383121.db2.gz GMCUGOLAHOHCSS-INIZCTEOSA-N 0 0 336.218 4.207 50 0 EIAARN Cc1cc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)on1 ZINC000012422421 211375838 /nfs/dbraw/zinc/37/58/38/211375838.db2.gz RLVOFQZJTPGVKW-UHFFFAOYSA-N 0 0 333.372 4.492 50 0 EIAARN CSc1ccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 ZINC000012409878 211372524 /nfs/dbraw/zinc/37/25/24/211372524.db2.gz SAJYWRDNKLUWJJ-UHFFFAOYSA-N 0 0 326.425 4.102 50 0 EIAARN COc1ccc(C[C@H](C)NC(=O)c2cc3ccccc3s2)cc1 ZINC000012401829 211368606 /nfs/dbraw/zinc/36/86/06/211368606.db2.gz VNXONJPYECAJAX-ZDUSSCGKSA-N 0 0 325.433 4.271 50 0 EIAARN O=C(Nc1cc(=O)oc2ccccc12)c1ccc(Cl)cc1Cl ZINC000012390974 211366092 /nfs/dbraw/zinc/36/60/92/211366092.db2.gz WKJDQDZWTDKVJC-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN c1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)nc1 ZINC000012360614 211355049 /nfs/dbraw/zinc/35/50/49/211355049.db2.gz YOPCLWRHHIPDAA-UHFFFAOYSA-N 0 0 327.453 4.225 50 0 EIAARN CC(C)c1nnc2n1N1C(=CS[C@@H]1c1ccc(Cl)cc1)S2 ZINC000012323394 211348021 /nfs/dbraw/zinc/34/80/21/211348021.db2.gz BVIPMTLFAHVKTM-CYBMUJFWSA-N 0 0 336.873 4.343 50 0 EIAARN Fc1ccccc1-c1nn2c(nnc2-c2ccc(Cl)cc2)s1 ZINC000012322633 211346606 /nfs/dbraw/zinc/34/66/06/211346606.db2.gz GJKKFKKKFZLHPQ-UHFFFAOYSA-N 0 0 330.775 4.312 50 0 EIAARN CCc1ccc(Oc2ccc3nnc(-c4ccccc4OC)n3n2)cc1 ZINC000012321073 211346027 /nfs/dbraw/zinc/34/60/27/211346027.db2.gz HJONETFZUZHQOY-UHFFFAOYSA-N 0 0 346.390 4.155 50 0 EIAARN O=C(C[C@H](c1cccc(O)c1)c1ccccc1Cl)NC1CCC1 ZINC000012314099 211341163 /nfs/dbraw/zinc/34/11/63/211341163.db2.gz YSVLPDLCPJFJSJ-QGZVFWFLSA-N 0 0 329.827 4.236 50 0 EIAARN CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 ZINC000012372969 211358255 /nfs/dbraw/zinc/35/82/55/211358255.db2.gz WXTGQQQZEGGFQF-UHFFFAOYSA-N 0 0 347.340 4.387 50 0 EIAARN CC1(C)C[C@@H](N(Cc2ccco2)C(=O)Oc2ccccc2)CCO1 ZINC000012297120 211335291 /nfs/dbraw/zinc/33/52/91/211335291.db2.gz ASGSARYRWXVQDF-HNNXBMFYSA-N 0 0 329.396 4.238 50 0 biogenic EIAARN CCCc1c(C(=O)Nc2ccccc2CC)nnn1-c1ccccc1 ZINC000012274664 211332075 /nfs/dbraw/zinc/33/20/75/211332075.db2.gz ZARGCVWWRRSRJF-UHFFFAOYSA-N 0 0 334.423 4.035 50 0 EIAARN CCCc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccccc1 ZINC000012274671 211331904 /nfs/dbraw/zinc/33/19/04/211331904.db2.gz ILPMKCJJGNQZMQ-UHFFFAOYSA-N 0 0 334.423 4.089 50 0 EIAARN CCOc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1 ZINC000012225362 211325249 /nfs/dbraw/zinc/32/52/49/211325249.db2.gz FJQHFUVOOROTDM-UHFFFAOYSA-N 0 0 348.406 4.180 50 0 EIAARN O=C(NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)C1CCC1 ZINC000012191214 211316146 /nfs/dbraw/zinc/31/61/46/211316146.db2.gz IFXYUNCTDDTGOU-HNNXBMFYSA-N 0 0 347.867 4.288 50 0 EIAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000012138603 211303874 /nfs/dbraw/zinc/30/38/74/211303874.db2.gz KSVDCFRMHHEOPG-UHFFFAOYSA-N 0 0 337.423 4.347 50 0 EIAARN CCOC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 ZINC000012137308 211301231 /nfs/dbraw/zinc/30/12/31/211301231.db2.gz ZDMRQJFZYWYYEF-UHFFFAOYSA-N 0 0 349.224 4.247 50 0 EIAARN COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)C(C)C)on2)cc1 ZINC000012120241 211297224 /nfs/dbraw/zinc/29/72/24/211297224.db2.gz MJQMHTDBZOUNQK-SFHVURJKSA-N 0 0 342.439 4.450 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000012111637 211291390 /nfs/dbraw/zinc/29/13/90/211291390.db2.gz GTWGTGMTEOKWKI-UHFFFAOYSA-N 0 0 347.802 4.179 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1 ZINC000012090325 211289342 /nfs/dbraw/zinc/28/93/42/211289342.db2.gz XTUCBBAEPVCUGZ-UHFFFAOYSA-N 0 0 349.390 4.147 50 0 EIAARN Cc1ccc(C)c(NC(=O)CSc2cc(-c3ccccc3)ncn2)c1 ZINC000012016681 211280171 /nfs/dbraw/zinc/28/01/71/211280171.db2.gz WTFYBVWRGITVRO-UHFFFAOYSA-N 0 0 349.459 4.491 50 0 EIAARN Cc1cc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nc(C)n1 ZINC000012016754 211279619 /nfs/dbraw/zinc/27/96/19/211279619.db2.gz FHEMORDBLMEGMT-LLVKDONJSA-N 0 0 335.860 4.175 50 0 EIAARN CC(C)c1cc(C(=O)N(C)Cc2csc(-c3ccccc3)n2)on1 ZINC000091504963 218014856 /nfs/dbraw/zinc/01/48/56/218014856.db2.gz SCZMBYXOTQQENP-UHFFFAOYSA-N 0 0 341.436 4.194 50 0 EIAARN CC(C)COc1ccc(-c2nonc2NC(=O)c2cccs2)cc1 ZINC000011917115 211270629 /nfs/dbraw/zinc/27/06/29/211270629.db2.gz GVGADUSXLRXHNI-UHFFFAOYSA-N 0 0 343.408 4.085 50 0 EIAARN Cc1ccc(CN(C(=O)COc2ccc(C)cc2)c2ccccn2)cc1 ZINC000011914730 211267748 /nfs/dbraw/zinc/26/77/48/211267748.db2.gz INNVULBPNODUBM-UHFFFAOYSA-N 0 0 346.430 4.311 50 0 EIAARN Cc1c(Cl)cc(C(=O)N(C)CCC2CCOCC2)cc1Cl ZINC000091468281 218011386 /nfs/dbraw/zinc/01/13/86/218011386.db2.gz RFABJJDCYVOJKN-UHFFFAOYSA-N 0 0 330.255 4.191 50 0 EIAARN Cc1nc(-c2cccs2)c(CC(=O)NCCc2ccccc2)s1 ZINC000011905909 211266528 /nfs/dbraw/zinc/26/65/28/211266528.db2.gz YDAVUCBMTMIDMY-UHFFFAOYSA-N 0 0 342.489 4.081 50 0 EIAARN Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@H](CNC(=O)C1CC1)C2 ZINC000011880890 211265490 /nfs/dbraw/zinc/26/54/90/211265490.db2.gz DFSLYVVSZWOQST-KRWDZBQOSA-N 0 0 341.838 4.145 50 0 EIAARN COc1ccc(-c2c(C)c3c(C)cc(OC(C)=O)cc3oc2=O)cc1 ZINC000011865135 211261561 /nfs/dbraw/zinc/26/15/61/211261561.db2.gz YAAFETPMUZYQMY-UHFFFAOYSA-N 0 0 338.359 4.011 50 0 biogenic EIAARN C[C@H](Cn1cc(-c2ccccc2-c2ccccc2)nn1)n1ccnc1 ZINC000091586640 218025611 /nfs/dbraw/zinc/02/56/11/218025611.db2.gz QJQDTGIEDSPHPF-MRXNPFEDSA-N 0 0 329.407 4.070 50 0 EIAARN CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3ccn(C)n3)cc2)n1 ZINC000091695686 218050615 /nfs/dbraw/zinc/05/06/15/218050615.db2.gz CPFHAKQKDICOPC-UHFFFAOYSA-N 0 0 346.356 4.234 50 0 EIAARN CCc1c(C)scc1C(=O)N1CCCC[C@@H]1CCn1ccnc1C ZINC000091713076 218052271 /nfs/dbraw/zinc/05/22/71/218052271.db2.gz LQYXJPXJKZSBRV-MRXNPFEDSA-N 0 0 345.512 4.209 50 0 EIAARN O=C(Cc1cc(-c2ccc(F)cc2)on1)Nc1ccc(Cl)cc1 ZINC000011693142 211237048 /nfs/dbraw/zinc/23/70/48/211237048.db2.gz YXTGRUWTDMLSCR-UHFFFAOYSA-N 0 0 330.746 4.315 50 0 EIAARN O=C(c1cccs1)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000011784553 211248513 /nfs/dbraw/zinc/24/85/13/211248513.db2.gz WLBBZCCGBGZFKW-UHFFFAOYSA-N 0 0 337.448 4.158 50 0 EIAARN Cc1cc(C)c(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)cn1 ZINC000091650555 218039874 /nfs/dbraw/zinc/03/98/74/218039874.db2.gz UUCIWZHDJLKRJY-SFHVURJKSA-N 0 0 338.451 4.032 50 0 EIAARN Fc1ccc(-c2cnc(COc3ccc(-c4nnco4)cc3)o2)cc1 ZINC000011746952 211243886 /nfs/dbraw/zinc/24/38/86/211243886.db2.gz IXLOONKOVZWXES-UHFFFAOYSA-N 0 0 337.310 4.110 50 0 EIAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cncn1-c1ccccc1 ZINC000011572318 211223343 /nfs/dbraw/zinc/22/33/43/211223343.db2.gz BDYNGAQJAPFDDG-UHFFFAOYSA-N 0 0 346.434 4.033 50 0 EIAARN COc1cccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3)no2)c1 ZINC000011693179 211236411 /nfs/dbraw/zinc/23/64/11/211236411.db2.gz PDOKYSQUIAWNRT-UHFFFAOYSA-N 0 0 342.782 4.185 50 0 EIAARN COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000011689911 211233995 /nfs/dbraw/zinc/23/39/95/211233995.db2.gz WWQUCBYCNUNILG-UHFFFAOYSA-N 0 0 349.386 4.305 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1nnn(-c2cc(C)cc(C)c2)c1C ZINC000011690189 211233393 /nfs/dbraw/zinc/23/33/93/211233393.db2.gz DKTMZBJCMAYOMD-UHFFFAOYSA-N 0 0 348.450 4.316 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12 ZINC000011614022 211226235 /nfs/dbraw/zinc/22/62/35/211226235.db2.gz SLGLCPJZKXPEBG-UHFFFAOYSA-N 0 0 335.469 4.096 50 0 EIAARN CCC[C@@H](NC(=O)[C@@H](C)Sc1nccn1CC)c1ccccc1 ZINC000011605686 211225219 /nfs/dbraw/zinc/22/52/19/211225219.db2.gz BVWUNRLHANITHJ-GDBMZVCRSA-N 0 0 331.485 4.041 50 0 EIAARN CC(C)c1cccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000011266149 211210553 /nfs/dbraw/zinc/21/05/53/211210553.db2.gz DBAGKECTDQAVFI-IBGZPJMESA-N 0 0 326.415 4.381 50 0 EIAARN CC[C@@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(C)cc1 ZINC000011266556 211210211 /nfs/dbraw/zinc/21/02/11/211210211.db2.gz HWWVDTCGWMCXKM-WOJBJXKFSA-N 0 0 340.442 4.195 50 0 EIAARN CC(C)Cc1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 ZINC000011278544 211210022 /nfs/dbraw/zinc/21/00/22/211210022.db2.gz JJYVTPNHSUHDFR-UHFFFAOYSA-N 0 0 327.240 4.358 50 0 EIAARN O=C(NCc1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000011510358 211220160 /nfs/dbraw/zinc/22/01/60/211220160.db2.gz XPZPLAVEYGGILD-UHFFFAOYSA-N 0 0 345.267 4.237 50 0 EIAARN CCCN(CCC)C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000011096540 211204393 /nfs/dbraw/zinc/20/43/93/211204393.db2.gz NAYYHNHCMGWXHI-UHFFFAOYSA-N 0 0 338.451 4.130 50 0 EIAARN Cc1ccc(OCC(=O)Nc2c(C)cccc2C)c2c1[C@@H](C)CC2=O ZINC000011052295 211202669 /nfs/dbraw/zinc/20/26/69/211202669.db2.gz XERKGZSIBZDNLZ-HNNXBMFYSA-N 0 0 337.419 4.319 50 0 EIAARN CCOc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 ZINC000010995141 211198928 /nfs/dbraw/zinc/19/89/28/211198928.db2.gz PSAOGYQUSQHZNC-UHFFFAOYSA-N 0 0 335.403 4.047 50 0 EIAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(F)cc(F)c1 ZINC000011004603 211198782 /nfs/dbraw/zinc/19/87/82/211198782.db2.gz UHBWREYXLRMPNZ-UHFFFAOYSA-N 0 0 339.725 4.032 50 0 EIAARN C[C@H]1C[C@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000010971714 211197476 /nfs/dbraw/zinc/19/74/76/211197476.db2.gz PRGQCCATJHUWTI-TVQRCGJNSA-N 0 0 340.370 4.347 50 0 EIAARN CCN(C(=O)COc1ccc(C=O)cc1)c1cccc2ccccc21 ZINC000010966889 211197391 /nfs/dbraw/zinc/19/73/91/211197391.db2.gz AZIVFYNEJVNQEZ-UHFFFAOYSA-N 0 0 333.387 4.084 50 0 EIAARN Cc1nc2cc(NC(=O)c3ccc(COc4ccccc4)o3)ccc2[nH]1 ZINC000010895846 211195112 /nfs/dbraw/zinc/19/51/12/211195112.db2.gz UNWOOZOFSBTWBN-UHFFFAOYSA-N 0 0 347.374 4.296 50 0 EIAARN O=C(COc1ccc(F)cc1Cl)N[C@H](c1ccccc1)C1CC1 ZINC000011215804 211207955 /nfs/dbraw/zinc/20/79/55/211207955.db2.gz SEQNOYDODLXMCL-GOSISDBHSA-N 0 0 333.790 4.125 50 0 EIAARN COc1cc(SC)ccc1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000011204792 211207340 /nfs/dbraw/zinc/20/73/40/211207340.db2.gz KWSGQIQRFKVBLG-GOSISDBHSA-N 0 0 327.449 4.298 50 0 EIAARN O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(Br)c1 ZINC000011202623 211207029 /nfs/dbraw/zinc/20/70/29/211207029.db2.gz RFDXSFNZCDSTHA-INIZCTEOSA-N 0 0 330.225 4.330 50 0 EIAARN CCCOc1ccccc1NC(=O)CN1c2ccccc2CC[C@@H]1C ZINC000011193087 211206700 /nfs/dbraw/zinc/20/67/00/211206700.db2.gz MLGQZDSBKXOWDP-INIZCTEOSA-N 0 0 338.451 4.255 50 0 EIAARN O=C(CNc1ccccc1OC(F)(F)F)Nc1ccc(Cl)cc1 ZINC000010850772 211191161 /nfs/dbraw/zinc/19/11/61/211191161.db2.gz WNQLDLDJGXLTNC-UHFFFAOYSA-N 0 0 344.720 4.289 50 0 EIAARN C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000010806505 211190084 /nfs/dbraw/zinc/19/00/84/211190084.db2.gz YVXSABBNTDVTDY-NZWMYCLXSA-N 0 0 347.842 4.066 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000010808803 211189957 /nfs/dbraw/zinc/18/99/57/211189957.db2.gz BEWHWWZREDPYPA-UHFFFAOYSA-N 0 0 336.439 4.444 50 0 EIAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccoc1 ZINC000010697940 211187034 /nfs/dbraw/zinc/18/70/34/211187034.db2.gz JFVLLWGPFIXNGI-SFHVURJKSA-N 0 0 330.387 4.323 50 0 EIAARN Cc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)s1 ZINC000010647531 211183708 /nfs/dbraw/zinc/18/37/08/211183708.db2.gz RVIIMOOSSDFTAJ-UHFFFAOYSA-N 0 0 334.784 4.117 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)Nc3ncc(C)s3)ccc2c1 ZINC000010624039 211183043 /nfs/dbraw/zinc/18/30/43/211183043.db2.gz QTRNDHJZJFSWOW-LBPRGKRZSA-N 0 0 326.421 4.356 50 0 EIAARN Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c(O)c1 ZINC000010891035 211193912 /nfs/dbraw/zinc/19/39/12/211193912.db2.gz LFILDVJVMXWKNB-UHFFFAOYSA-N 0 0 329.355 4.164 50 0 EIAARN CCO[P@@](=O)(CC1(O)CCCCC1)c1cccc2ccccc21 ZINC000010494708 211177727 /nfs/dbraw/zinc/17/77/27/211177727.db2.gz PZTWOLBSLNTCBE-QHCPKHFHSA-N 0 0 332.380 4.475 50 0 EIAARN O=C(c1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010503763 211177039 /nfs/dbraw/zinc/17/70/39/211177039.db2.gz VFZRNYIBDZQIJV-ZDUSSCGKSA-N 0 0 339.826 4.236 50 0 EIAARN CC(C)(C)CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000010421453 211171339 /nfs/dbraw/zinc/17/13/39/211171339.db2.gz GCCYSBFZCQCTPR-UHFFFAOYSA-N 0 0 326.444 4.046 50 0 EIAARN CCOC(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C ZINC000010383656 211169249 /nfs/dbraw/zinc/16/92/49/211169249.db2.gz ABQYDOOKNPDUNE-UHFFFAOYSA-N 0 0 326.183 4.012 50 0 EIAARN Cc1cc2ccccc2n1CC(=O)OCc1cc(-c2ccccc2)on1 ZINC000010622260 211181902 /nfs/dbraw/zinc/18/19/02/211181902.db2.gz UULGUYGTSKROHR-UHFFFAOYSA-N 0 0 346.386 4.348 50 0 EIAARN c1ccc(-c2nnc3sc(-c4ccc5ccccc5c4)nn32)nc1 ZINC000010312392 211162171 /nfs/dbraw/zinc/16/21/71/211162171.db2.gz BXGYMAYYOVUMAI-UHFFFAOYSA-N 0 0 329.388 4.068 50 0 EIAARN CSc1ccc(CC(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000010252248 211156802 /nfs/dbraw/zinc/15/68/02/211156802.db2.gz IJTOTGZYMYUFMD-UHFFFAOYSA-N 0 0 332.425 4.339 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCc2sccc2C1 ZINC000010341087 211166654 /nfs/dbraw/zinc/16/66/54/211166654.db2.gz BXWSRZKEZIYBLJ-UHFFFAOYSA-N 0 0 328.481 4.177 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1OC(F)F ZINC000010115046 211150476 /nfs/dbraw/zinc/15/04/76/211150476.db2.gz WDDXPYWOQXFQOB-UHFFFAOYSA-N 0 0 330.334 4.008 50 0 EIAARN O=C(Nc1ccccc1OCC(F)(F)F)c1cc2ccccc2[nH]1 ZINC000010115814 211150510 /nfs/dbraw/zinc/15/05/10/211150510.db2.gz WINYOWACRAEKLM-UHFFFAOYSA-N 0 0 334.297 4.361 50 0 EIAARN CCCCOc1ccc(C(=O)N[C@H](C)CC)cc1Br ZINC000010120511 211149949 /nfs/dbraw/zinc/14/99/49/211149949.db2.gz WDSJGOTTYWTXCR-LLVKDONJSA-N 0 0 328.250 4.156 50 0 EIAARN Fc1ccc(-c2cnc(CSc3nnc4n3CCCCC4)o2)cc1 ZINC000009883846 211130092 /nfs/dbraw/zinc/13/00/92/211130092.db2.gz SVSVQUVRIMFDFR-UHFFFAOYSA-N 0 0 344.415 4.091 50 0 EIAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000009764305 211122718 /nfs/dbraw/zinc/12/27/18/211122718.db2.gz FPVIINFHFKYRCA-IBGZPJMESA-N 0 0 347.414 4.365 50 0 EIAARN CC(C)c1ccc([C@@H](NC(=O)NCc2ccncc2)C(C)C)cc1 ZINC000009761032 211122389 /nfs/dbraw/zinc/12/23/89/211122389.db2.gz QVDHTLPETIDYML-IBGZPJMESA-N 0 0 325.456 4.402 50 0 EIAARN Cc1ccccc1Cn1cccc1CNC(=O)Nc1ccccc1C ZINC000009724049 211120083 /nfs/dbraw/zinc/12/00/83/211120083.db2.gz ZZUHPQRODIDWGF-UHFFFAOYSA-N 0 0 333.435 4.475 50 0 EIAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1c(F)cccc1F ZINC000009723484 211118912 /nfs/dbraw/zinc/11/89/12/211118912.db2.gz UGUZGLMFAGVPAP-UHFFFAOYSA-N 0 0 327.330 4.381 50 0 EIAARN O=C(Nc1nc2ccccc2s1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000009711415 211117320 /nfs/dbraw/zinc/11/73/20/211117320.db2.gz KRNYJYZAMGDEBS-SECBINFHSA-N 0 0 329.347 4.103 50 0 EIAARN COc1cccc(NC(=O)NCc2cccn2Cc2cccc(C)c2)c1 ZINC000009722032 211117398 /nfs/dbraw/zinc/11/73/98/211117398.db2.gz NODMHACEKJADSJ-UHFFFAOYSA-N 0 0 349.434 4.175 50 0 EIAARN Cc1ccn2cc(-c3ccc(NC(=O)c4ccccc4C)cc3)nc2n1 ZINC000009572039 211103100 /nfs/dbraw/zinc/10/31/00/211103100.db2.gz DERNAGATALFYPJ-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Cc1c([C@H]2C(C)=C(C)C(=O)N2Cc2ccco2)c2ccccc2n1C ZINC000009668897 211114025 /nfs/dbraw/zinc/11/40/25/211114025.db2.gz GKGUYGIPISCSMG-HXUWFJFHSA-N 0 0 334.419 4.500 50 0 EIAARN CC(=O)N1N=C(c2ccoc2C)O[C@@]1(C)c1ccc2ccccc2c1 ZINC000009585538 211106329 /nfs/dbraw/zinc/10/63/29/211106329.db2.gz OHHFJEBQKJOOEK-FQEVSTJZSA-N 0 0 334.375 4.154 50 0 EIAARN O=C(NC1CCCC1)c1cc(OCc2ccccc2)nc2ccccc21 ZINC000009587677 211105289 /nfs/dbraw/zinc/10/52/89/211105289.db2.gz WKDDELBFWDYKPX-UHFFFAOYSA-N 0 0 346.430 4.486 50 0 EIAARN Cc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000009595471 211105068 /nfs/dbraw/zinc/10/50/68/211105068.db2.gz NTGPHOMEEUXWQO-AWEZNQCLSA-N 0 0 325.387 4.377 50 0 EIAARN COc1ccccc1-c1noc(CN2CCC[C@@H]2c2cccs2)n1 ZINC000009514683 211094586 /nfs/dbraw/zinc/09/45/86/211094586.db2.gz YDRONRODBJNAJR-CQSZACIVSA-N 0 0 341.436 4.144 50 0 EIAARN 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344.480 4.120 50 0 EIAARN CC(C)(C)OC(=O)N1CCCc2ccc(NCc3cc[nH]c3)cc21 ZINC000095429100 218371933 /nfs/dbraw/zinc/37/19/33/218371933.db2.gz ILCPYXPJFUNXPI-UHFFFAOYSA-N 0 0 327.428 4.315 50 0 EIAARN O=C(CCc1ccccc1F)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008429269 210952178 /nfs/dbraw/zinc/95/21/78/210952178.db2.gz GZDUTNMDGGMLBK-UHFFFAOYSA-N 0 0 341.382 4.439 50 0 EIAARN CCCc1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 ZINC000008392270 210947824 /nfs/dbraw/zinc/94/78/24/210947824.db2.gz ONZSYHKXLYXRPC-UHFFFAOYSA-N 0 0 343.239 4.024 50 0 EIAARN Cc1sc2nc(CN(C)[C@@H](C)c3cccs3)nc(N)c2c1C ZINC000008324642 210934343 /nfs/dbraw/zinc/93/43/43/210934343.db2.gz BJKKDCMAWSFKNY-JTQLQIEISA-N 0 0 332.498 4.145 50 0 EIAARN CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000095447023 218391193 /nfs/dbraw/zinc/39/11/93/218391193.db2.gz GCOGKJPJCOJOCU-HNAYVOBHSA-N 0 0 333.447 4.350 50 0 EIAARN CCn1cc(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)cn1 ZINC000095449720 218394143 /nfs/dbraw/zinc/39/41/43/218394143.db2.gz VQKBNODYTLTUKZ-LJQANCHMSA-N 0 0 325.456 4.394 50 0 EIAARN Fc1ccc(OCc2nc(CN3CCc4ccccc43)cs2)cc1 ZINC000008308580 210929152 /nfs/dbraw/zinc/92/91/52/210929152.db2.gz WDHCYPCDZZREDP-UHFFFAOYSA-N 0 0 340.423 4.424 50 0 EIAARN CN(C)c1ccc(NC(=O)N2CC=C(c3ccccc3)C2)cc1Cl ZINC000095467117 218406127 /nfs/dbraw/zinc/40/61/27/218406127.db2.gz UJNNRXDXBKMXBU-UHFFFAOYSA-N 0 0 341.842 4.337 50 0 EIAARN Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)c1 ZINC000008234175 210916974 /nfs/dbraw/zinc/91/69/74/210916974.db2.gz WXRVFYZMBFONQX-ZDUSSCGKSA-N 0 0 339.420 4.164 50 0 EIAARN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 ZINC000008160461 210904728 /nfs/dbraw/zinc/90/47/28/210904728.db2.gz LJKWEKCBAXTRLP-KRWDZBQOSA-N 0 0 331.799 4.150 50 0 EIAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(Cl)c1 ZINC000008160930 210904632 /nfs/dbraw/zinc/90/46/32/210904632.db2.gz LZQCCCYCMFTPRF-QGZVFWFLSA-N 0 0 331.799 4.150 50 0 EIAARN COc1ccc(CN(C(=O)c2ccc(-n3cccc3)cc2)C2CC2)cc1 ZINC000008132196 210900590 /nfs/dbraw/zinc/90/05/90/210900590.db2.gz ZTDNMUIKKBUXER-UHFFFAOYSA-N 0 0 346.430 4.291 50 0 EIAARN Cc1cc(NC(=O)c2cc3ccccc3[nH]2)ccc1Br ZINC000008076763 210891946 /nfs/dbraw/zinc/89/19/46/210891946.db2.gz QNHMXAXMUIDRPF-UHFFFAOYSA-N 0 0 329.197 4.491 50 0 EIAARN COc1cc(NC(=O)c2cc3ccccc3[nH]2)c(OC)cc1Cl ZINC000008031940 210885325 /nfs/dbraw/zinc/88/53/25/210885325.db2.gz ODSOPFXZYTYQFN-UHFFFAOYSA-N 0 0 330.771 4.091 50 0 EIAARN c1coc(CNc2nnc(S[C@@H]3CCc4ccccc4C3)s2)c1 ZINC000095941657 218454783 /nfs/dbraw/zinc/45/47/83/218454783.db2.gz UTLDGLJYCFOFPO-OAHLLOKOSA-N 0 0 343.477 4.393 50 0 EIAARN Cc1ccc(Cn2nccc2NC(=O)c2oc3ccccc3c2C)o1 ZINC000007988066 210877078 /nfs/dbraw/zinc/87/70/78/210877078.db2.gz ZYCSNFIHQGUVKB-UHFFFAOYSA-N 0 0 335.363 4.140 50 0 EIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000007946892 210868465 /nfs/dbraw/zinc/86/84/65/210868465.db2.gz QLPDRERINSIXPU-FQEVSTJZSA-N 0 0 331.371 4.421 50 0 EIAARN COc1cc(NC(=O)c2csc(-c3cccs3)n2)cc(OC)c1 ZINC000007919969 210865060 /nfs/dbraw/zinc/86/50/60/210865060.db2.gz AQHTVGJOBOOKOY-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN CCCCn1c(=O)c2ccccc2nc1S[C@H](C)C(F)(F)F ZINC000095965216 218470029 /nfs/dbraw/zinc/47/00/29/218470029.db2.gz AILUNWJIPHBBGX-SNVBAGLBSA-N 0 0 330.375 4.240 50 0 EIAARN Cc1ccc([C@H](NC(=O)COc2cccc(F)c2)c2ccccc2)cc1 ZINC000007686154 210832645 /nfs/dbraw/zinc/83/26/45/210832645.db2.gz OYLIMBCRCYFEQO-JOCHJYFZSA-N 0 0 349.405 4.419 50 0 EIAARN COC(=O)c1c(C)[nH]c(-c2nc(NCCC(C)C)sc2C)c1C ZINC000007777534 210844081 /nfs/dbraw/zinc/84/40/81/210844081.db2.gz MSVNMPDBNXWWQE-UHFFFAOYSA-N 0 0 335.473 4.308 50 0 EIAARN CC[C@H](C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1)c1ccccc1 ZINC000007759531 210843448 /nfs/dbraw/zinc/84/34/48/210843448.db2.gz NJSPVSLYJJJCJD-SFHVURJKSA-N 0 0 349.434 4.197 50 0 EIAARN Cc1nnc(SCc2nc3ccccc3o2)n1Cc1ccccc1 ZINC000007734861 210839718 /nfs/dbraw/zinc/83/97/18/210839718.db2.gz AUGRAVZQWGFSPE-UHFFFAOYSA-N 0 0 336.420 4.068 50 0 EIAARN Cc1ccsc1CN(C)C(=O)/C=C/c1cc(C)n(C2CC2)c1C ZINC000007642312 210823308 /nfs/dbraw/zinc/82/33/08/210823308.db2.gz QSICGHCXYFCGIY-VMPITWQZSA-N 0 0 328.481 4.482 50 0 EIAARN CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1C1CC1 ZINC000007618650 210822083 /nfs/dbraw/zinc/82/20/83/210822083.db2.gz PHYMCHKHDZJQJE-GFCCVEGCSA-N 0 0 341.480 4.028 50 0 EIAARN O=C(COc1ccc(Cl)c2cccnc12)Nc1ccccc1F ZINC000007612406 210821166 /nfs/dbraw/zinc/82/11/66/210821166.db2.gz PIJNLSWHSAJFBS-UHFFFAOYSA-N 0 0 330.746 4.045 50 0 EIAARN Cc1cccc(-c2noc([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)c1 ZINC000007615825 210820569 /nfs/dbraw/zinc/82/05/69/210820569.db2.gz XGIMCURDOCGYPC-KRWDZBQOSA-N 0 0 347.418 4.182 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12 ZINC000006945822 210748116 /nfs/dbraw/zinc/74/81/16/210748116.db2.gz WHFNSYWHMCUXAZ-UHFFFAOYSA-N 0 0 345.446 4.331 50 0 biogenic EIAARN CSc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1 ZINC000006912300 210742345 /nfs/dbraw/zinc/74/23/45/210742345.db2.gz ZOKFOWWKSVDNDR-UHFFFAOYSA-N 0 0 338.476 4.447 50 0 EIAARN CO[C@@H]1CCCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C1 ZINC000096122470 218613854 /nfs/dbraw/zinc/61/38/54/218613854.db2.gz UCLGGEGQYPGHTK-GOSISDBHSA-N 0 0 349.434 4.035 50 0 EIAARN Cc1ccc(NC(=O)CSc2ccc(-c3cccs3)nn2)cc1 ZINC000006858754 210730198 /nfs/dbraw/zinc/73/01/98/210730198.db2.gz PAYRSOLPIBLEFJ-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000096131485 218617341 /nfs/dbraw/zinc/61/73/41/218617341.db2.gz KXYBVDRKNAEUNE-AWEZNQCLSA-N 0 0 330.350 4.128 50 0 EIAARN CC1=C(C(=O)Nc2cc(Cl)ccc2C)C2(CCCCC2)OC1=O ZINC000006772337 210707793 /nfs/dbraw/zinc/70/77/93/210707793.db2.gz SHDCFFCDJQBACQ-UHFFFAOYSA-N 0 0 333.815 4.163 50 0 biogenic EIAARN CC(=O)c1cc(C(=O)NCCCSC2CCCCC2)cs1 ZINC000096148872 218626572 /nfs/dbraw/zinc/62/65/72/218626572.db2.gz AGWLZHXJLXCCMI-UHFFFAOYSA-N 0 0 325.499 4.137 50 0 EIAARN Cc1ccc(OC(=O)c2nc(SC(C)C)ncc2Cl)cc1C ZINC000006748070 210700743 /nfs/dbraw/zinc/70/07/43/210700743.db2.gz ICBDAFRYZCQJRU-UHFFFAOYSA-N 0 0 336.844 4.467 50 0 EIAARN CC[C@@H](O)c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000006745741 210697803 /nfs/dbraw/zinc/69/78/03/210697803.db2.gz BXLVNEIJRLYWBP-MRXNPFEDSA-N 0 0 345.240 4.291 50 0 EIAARN Cn1ncc(Cl)c1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000006741163 210696842 /nfs/dbraw/zinc/69/68/42/210696842.db2.gz QUXCTRPGIREEMI-UHFFFAOYSA-N 0 0 327.771 4.118 50 0 EIAARN CC[C@H](C)NC(=O)c1cc(-c2cccc(OC)c2)nn1-c1ccccc1 ZINC000006734670 210694319 /nfs/dbraw/zinc/69/43/19/210694319.db2.gz GRQMOLNEBXZFRY-HNNXBMFYSA-N 0 0 349.434 4.076 50 0 EIAARN CC(C)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(F)c1 ZINC000006724748 210691640 /nfs/dbraw/zinc/69/16/40/210691640.db2.gz HNAIQYFHIMPKTI-SFHVURJKSA-N 0 0 338.426 4.364 50 0 EIAARN C[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000006698999 210683767 /nfs/dbraw/zinc/68/37/67/210683767.db2.gz VVSIWXOUQGWQBU-VIFPVBQESA-N 0 0 331.641 4.366 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000006639285 210666951 /nfs/dbraw/zinc/66/69/51/210666951.db2.gz VPXFQXYYNWTVCG-UHFFFAOYSA-N 0 0 333.218 4.447 50 0 EIAARN CCOc1ccc(N[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000006652956 210670412 /nfs/dbraw/zinc/67/04/12/210670412.db2.gz MTEKEEVZURTMKL-FOIQADDNSA-N 0 0 338.451 4.080 50 0 EIAARN COC(=O)c1sc2nc(C)nc(NC3CCCCCC3)c2c1C ZINC000006587670 210659584 /nfs/dbraw/zinc/65/95/84/210659584.db2.gz YHTZYRKOOHKKQV-UHFFFAOYSA-N 0 0 333.457 4.229 50 0 EIAARN CCCN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)NC(C)(C)C ZINC000096210723 218686799 /nfs/dbraw/zinc/68/67/99/218686799.db2.gz KWBRJMOGHHTQTN-UHFFFAOYSA-N 0 0 333.407 4.201 50 0 EIAARN CC(C)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 ZINC000006255617 210608402 /nfs/dbraw/zinc/60/84/02/210608402.db2.gz BIGIDRXULDKSPI-UHFFFAOYSA-N 0 0 344.802 4.100 50 0 EIAARN C[C@H](C(=O)OC(C)(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000006183038 210597825 /nfs/dbraw/zinc/59/78/25/210597825.db2.gz WBCMWSCMVCVIHP-MAUKXSAKSA-N 0 0 339.435 4.136 50 0 EIAARN O=C(COc1ccccc1Cc1ccccc1)NCc1ccccc1F ZINC000006260808 210608103 /nfs/dbraw/zinc/60/81/03/210608103.db2.gz FGKGLSISFUIUDG-UHFFFAOYSA-N 0 0 349.405 4.112 50 0 EIAARN CCc1nn(-c2cccc(Cl)c2)c2nnc(-c3ccccc3)nc12 ZINC000096316687 218743400 /nfs/dbraw/zinc/74/34/00/218743400.db2.gz ZTEUGOQCYMCOPI-UHFFFAOYSA-N 0 0 335.798 4.093 50 0 EIAARN CC(C)[C@@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000006083549 210586586 /nfs/dbraw/zinc/58/65/86/210586586.db2.gz LXFDGPTYBJLMPS-LLVKDONJSA-N 0 0 338.473 4.202 50 0 EIAARN S=C(NCc1nc2ccccc2[nH]1)Nc1cccc2ccccc21 ZINC000006084835 210586202 /nfs/dbraw/zinc/58/62/02/210586202.db2.gz NJZHRTYZRDQKKI-UHFFFAOYSA-N 0 0 332.432 4.203 50 0 EIAARN Cc1oc(-c2cccs2)nc1C[S@](=O)CCc1ccccc1 ZINC000096404323 218753870 /nfs/dbraw/zinc/75/38/70/218753870.db2.gz QAYSUSQRRXTKJM-QFIPXVFZSA-N 0 0 331.462 4.203 50 0 EIAARN CN(Cc1cscn1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000096404680 218754770 /nfs/dbraw/zinc/75/47/70/218754770.db2.gz UODSTTYRPIEMEY-QWHCGFSZSA-N 0 0 341.263 4.212 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1C[C@H]1c1ccccc1 ZINC000096405406 218756136 /nfs/dbraw/zinc/75/61/36/218756136.db2.gz DOMMBJTYHAWKDR-MOPGFXCFSA-N 0 0 346.430 4.194 50 0 EIAARN Cc1csc(CN(C)C(=O)Nc2cccc(OC(F)F)c2C)n1 ZINC000096411501 218766907 /nfs/dbraw/zinc/76/69/07/218766907.db2.gz NFRIRHTVPRJZRS-UHFFFAOYSA-N 0 0 341.383 4.025 50 0 EIAARN COC(=O)c1c(C)[nH]c(C(C)=O)c1Cc1cc(Cl)ccc1Cl ZINC000005936660 210562531 /nfs/dbraw/zinc/56/25/31/210562531.db2.gz DJRYZHDEBYCTME-UHFFFAOYSA-N 0 0 340.206 4.210 50 0 EIAARN CC(C)n1nccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000005870237 210551398 /nfs/dbraw/zinc/55/13/98/210551398.db2.gz GACNZOUIPUBLRY-SNVBAGLBSA-N 0 0 342.226 4.177 50 0 EIAARN O=C(COc1ccccc1F)NC(c1ccccc1)c1ccccc1 ZINC000005860611 210549889 /nfs/dbraw/zinc/54/98/89/210549889.db2.gz GSISFOZQCJBKGE-UHFFFAOYSA-N 0 0 335.378 4.110 50 0 EIAARN Cc1csc(N(C(=O)c2ccccc2OCC2CC2)C2CC2)n1 ZINC000096425288 218794663 /nfs/dbraw/zinc/79/46/63/218794663.db2.gz BCQKOVLNPKPQBM-UHFFFAOYSA-N 0 0 328.437 4.050 50 0 EIAARN C[C@H](C1CC1)N(C(=O)N[C@@H](c1ccccc1)c1cccnc1)C1CC1 ZINC000096444021 218825677 /nfs/dbraw/zinc/82/56/77/218825677.db2.gz NPXWSDFLSQJOKD-QRWLVFNGSA-N 0 0 335.451 4.144 50 0 EIAARN CC(=O)Nc1ccc(O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000096448234 218831289 /nfs/dbraw/zinc/83/12/89/218831289.db2.gz WLTZYYKTIXYFQL-ZDUSSCGKSA-N 0 0 337.379 4.143 50 0 EIAARN C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)c1c[nH]c2ccccc21 ZINC000005492369 210474802 /nfs/dbraw/zinc/47/48/02/210474802.db2.gz BBCWLBGDVASUHB-GFCCVEGCSA-N 0 0 332.359 4.077 50 0 EIAARN COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000005533266 210483973 /nfs/dbraw/zinc/48/39/73/210483973.db2.gz WSZZIVFDAUNYOR-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN Cc1ncsc1CNc1cccc(Cn2cnc3ccccc32)c1 ZINC000096482882 218858209 /nfs/dbraw/zinc/85/82/09/218858209.db2.gz HGKQKELTWNABAO-UHFFFAOYSA-N 0 0 334.448 4.462 50 0 EIAARN COc1ccc(/C=C\C(=O)N[C@H](c2cccs2)C(C)C)cc1OC ZINC000096892024 218896083 /nfs/dbraw/zinc/89/60/83/218896083.db2.gz YPBSXNOAGPXRSW-QIBOZCLASA-N 0 0 345.464 4.292 50 0 EIAARN COc1ccc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1 ZINC000096891630 218896548 /nfs/dbraw/zinc/89/65/48/218896548.db2.gz BPTRNFFYWFJRRX-XNTDXEJSSA-N 0 0 326.783 4.389 50 0 EIAARN CC(C)NC(=O)Nc1ccccc1C(=O)OC/C=C\c1ccccc1 ZINC000096893573 218896668 /nfs/dbraw/zinc/89/66/68/218896668.db2.gz JOTNFOUAYMTYEQ-FLIBITNWSA-N 0 0 338.407 4.087 50 0 EIAARN COc1ccc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 ZINC000005321399 210438520 /nfs/dbraw/zinc/43/85/20/210438520.db2.gz KKERYQUDXWIPKQ-UHFFFAOYSA-N 0 0 340.810 4.028 50 0 EIAARN Cc1cc(COC(=O)c2c3ccccc3nc3c2CCCCC3)no1 ZINC000005315807 210437831 /nfs/dbraw/zinc/43/78/31/210437831.db2.gz VLJCSCXGCINXKM-UHFFFAOYSA-N 0 0 336.391 4.157 50 0 EIAARN CCOC(=O)/C=C\c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000096926172 218900899 /nfs/dbraw/zinc/90/08/99/218900899.db2.gz ONEWJJXAKAQQJT-ZROIWOOFSA-N 0 0 349.430 4.394 50 0 EIAARN COc1ccc(/C=C\C(=O)N2CCC[C@H]2c2ccccc2)cc1OC ZINC000096937040 218903047 /nfs/dbraw/zinc/90/30/47/218903047.db2.gz XRQMQPGFHHTUSP-LVWOJMJRSA-N 0 0 337.419 4.081 50 0 EIAARN CCn1nnc2c1ncnc2NC1CCCCCCCCCCC1 ZINC000005250488 210424076 /nfs/dbraw/zinc/42/40/76/210424076.db2.gz FBAUJIRQOVBMRC-UHFFFAOYSA-N 0 0 330.480 4.326 50 0 EIAARN CSc1ccccc1-c1nnc(NC(=O)c2cccc(C)c2)o1 ZINC000005240163 210422093 /nfs/dbraw/zinc/42/20/93/210422093.db2.gz KYKARDDPPIDMKC-UHFFFAOYSA-N 0 0 325.393 4.019 50 0 EIAARN O=C(/C=C\c1cccc(Br)c1)Nc1ccc2c(c1)CCO2 ZINC000097015942 218915413 /nfs/dbraw/zinc/91/54/13/218915413.db2.gz XFHODMVDZAIFTO-DAXSKMNVSA-N 0 0 344.208 4.036 50 0 EIAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000005118983 210392395 /nfs/dbraw/zinc/39/23/95/210392395.db2.gz NNSLJFSFUSAETP-LLVKDONJSA-N 0 0 336.794 4.317 50 0 EIAARN Cc1csc(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000005101553 210389339 /nfs/dbraw/zinc/38/93/39/210389339.db2.gz MUQFAYSPHMVKIF-WFASDCNBSA-N 0 0 332.494 4.126 50 0 EIAARN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccccc1Cl ZINC000005130922 210396046 /nfs/dbraw/zinc/39/60/46/210396046.db2.gz LFCUCROLHYOJSZ-UHFFFAOYSA-N 0 0 348.793 4.302 50 0 EIAARN COc1ccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc1 ZINC000005127564 210395123 /nfs/dbraw/zinc/39/51/23/210395123.db2.gz MTCXBTJUHOXJSM-GXDHUFHOSA-N 0 0 338.432 4.028 50 0 EIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2Cl)c(C)n1CC ZINC000005054600 210377665 /nfs/dbraw/zinc/37/76/65/210377665.db2.gz OKXGPXRKHQTHLA-UHFFFAOYSA-N 0 0 348.830 4.207 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)n1cccc1 ZINC000005055414 210377736 /nfs/dbraw/zinc/37/77/36/210377736.db2.gz CUXADADULMFJCE-IBGZPJMESA-N 0 0 338.838 4.242 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(C)s1 ZINC000005054252 210376872 /nfs/dbraw/zinc/37/68/72/210376872.db2.gz UVRYWZFXRRKIKS-MNOVXSKESA-N 0 0 335.498 4.479 50 0 EIAARN Cc1cc(Cl)ccc1OCCCC(=O)N1CCc2ccccc2C1 ZINC000005043107 210373277 /nfs/dbraw/zinc/37/32/77/210373277.db2.gz CRIRQIDXBSUBAH-UHFFFAOYSA-N 0 0 343.854 4.392 50 0 EIAARN C[C@@H](NC(=O)C1CCCCC1)c1nc(-c2ccccc2Cl)no1 ZINC000004998088 210354359 /nfs/dbraw/zinc/35/43/59/210354359.db2.gz XBYXUBHKYICDDJ-LLVKDONJSA-N 0 0 333.819 4.148 50 0 EIAARN Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1cccs1 ZINC000004954458 210339539 /nfs/dbraw/zinc/33/95/39/210339539.db2.gz UBLOLTKUJICKIM-UHFFFAOYSA-N 0 0 326.377 4.154 50 0 EIAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1c(Cl)cccc1Cl ZINC000004953853 210338709 /nfs/dbraw/zinc/33/87/09/210338709.db2.gz OQPSPSAJGFQTCQ-ZSOIEALJSA-N 0 0 336.149 4.477 50 0 EIAARN CCSc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000004938665 210330039 /nfs/dbraw/zinc/33/00/39/210330039.db2.gz KDWIHELFJBHBEH-UHFFFAOYSA-N 0 0 326.465 4.307 50 0 EIAARN CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000000035635 208553568 /nfs/dbraw/zinc/55/35/68/208553568.db2.gz MKNWTOFJRUXOLJ-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1 ZINC000000035707 208553987 /nfs/dbraw/zinc/55/39/87/208553987.db2.gz VHQMQINQWDNZLT-UHFFFAOYSA-N 0 0 326.783 4.233 50 0 EIAARN Cc1cc(C)cc(NC(=O)COc2ccc(Br)c(C)c2)c1 ZINC000000038556 208554715 /nfs/dbraw/zinc/55/47/15/208554715.db2.gz OGGCZUHOGWMFRG-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN COc1cc(NC(=O)CCOc2cccc(C)c2)c(OC)cc1Cl ZINC000003486588 208557747 /nfs/dbraw/zinc/55/77/47/208557747.db2.gz LSAAWRDISUCZRY-UHFFFAOYSA-N 0 0 349.814 4.073 50 0 EIAARN O=C(CSc1c2ccccc2nc2c1CCCC2)N1CCCCC1 ZINC000004922238 210323886 /nfs/dbraw/zinc/32/38/86/210323886.db2.gz DXNPLFQPOCLBGM-UHFFFAOYSA-N 0 0 340.492 4.218 50 0 EIAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCCC[C@@H]32)C(=O)C1 ZINC000004915253 210322251 /nfs/dbraw/zinc/32/22/51/210322251.db2.gz LHWIAYCZRJYJRB-MRXNPFEDSA-N 0 0 345.870 4.200 50 0 EIAARN Cc1c(-c2nc(-c3ccc(C)cc3)no2)nnn1-c1ccc(C)c(F)c1 ZINC000007006612 208570777 /nfs/dbraw/zinc/57/07/77/208570777.db2.gz WBUMQBAOIQTRLL-UHFFFAOYSA-N 0 0 349.369 4.049 50 0 EIAARN CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(CC)cc1)C2 ZINC000004911345 210320311 /nfs/dbraw/zinc/32/03/11/210320311.db2.gz GJAKVVOHEFMXDM-MRXNPFEDSA-N 0 0 339.435 4.365 50 0 EIAARN O=C(CN1CCC(Cc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000004907261 210318634 /nfs/dbraw/zinc/31/86/34/210318634.db2.gz URTZQZTWKZBPPM-UHFFFAOYSA-N 0 0 342.870 4.233 50 0 EIAARN O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000004854188 210301536 /nfs/dbraw/zinc/30/15/36/210301536.db2.gz XGMGIQILLWVMIE-IBGZPJMESA-N 0 0 335.382 4.264 50 0 EIAARN O=C(Nc1ccccc1F)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000004854212 210301469 /nfs/dbraw/zinc/30/14/69/210301469.db2.gz QBLNIPUQGYRLHC-IBGZPJMESA-N 0 0 335.382 4.264 50 0 EIAARN CCn1cc([C@H]2CC(=O)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000004853982 210300426 /nfs/dbraw/zinc/30/04/26/210300426.db2.gz IPHAEAGNDSJSOY-MRXNPFEDSA-N 0 0 332.403 4.017 50 0 EIAARN Cc1ccccc1CSc1nccn(-c2ccc(F)c(F)c2)c1=O ZINC000004853292 210300480 /nfs/dbraw/zinc/30/04/80/210300480.db2.gz NLNGLSYWOWPRIX-UHFFFAOYSA-N 0 0 344.386 4.111 50 0 EIAARN CCCOc1cccc(N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000097324297 219012230 /nfs/dbraw/zinc/01/22/30/219012230.db2.gz WCDOQQLKOJZBAC-OAHLLOKOSA-N 0 0 344.430 4.074 50 0 EIAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(F)c1 ZINC000004850484 210299549 /nfs/dbraw/zinc/29/95/49/210299549.db2.gz UTIFFTIDEIZJEE-UHFFFAOYSA-N 0 0 338.338 4.232 50 0 EIAARN Fc1ccccc1-c1nc(SCCOc2ccc(Cl)cc2)n[nH]1 ZINC000004877867 210309288 /nfs/dbraw/zinc/30/92/88/210309288.db2.gz VGTPKNMBUVRREL-UHFFFAOYSA-N 0 0 349.818 4.435 50 0 EIAARN C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cccc(F)c1 ZINC000004841604 210296390 /nfs/dbraw/zinc/29/63/90/210296390.db2.gz CFWMYLDYXPIQCW-CQSZACIVSA-N 0 0 340.398 4.093 50 0 EIAARN C[C@H]1CCCCN1C(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000004840625 210294667 /nfs/dbraw/zinc/29/46/67/210294667.db2.gz JPOQVBXAJXEOHC-HNNXBMFYSA-N 0 0 347.418 4.418 50 0 EIAARN C[C@@H]1CN(C(=O)c2ccccc2SCc2ccccc2)C[C@@H](C)O1 ZINC000004834582 210292036 /nfs/dbraw/zinc/29/20/36/210292036.db2.gz ULLHRASTDCNIGW-HZPDHXFCSA-N 0 0 341.476 4.228 50 0 EIAARN O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000004831552 210291032 /nfs/dbraw/zinc/29/10/32/210291032.db2.gz AMVWDBWXZAUHFB-CQSZACIVSA-N 0 0 344.625 4.192 50 0 EIAARN Cc1cc([C@@H]2CCCCN2Cc2cc(F)ccc2-n2cccn2)no1 ZINC000097463469 219025368 /nfs/dbraw/zinc/02/53/68/219025368.db2.gz PBZJXARKPSCIOZ-IBGZPJMESA-N 0 0 340.402 4.035 50 0 EIAARN CC1(C)[C@@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@]1(C)C(=O)C2 ZINC000004806564 210281648 /nfs/dbraw/zinc/28/16/48/210281648.db2.gz MUGZYQVSRITIFW-SJORKVTESA-N 0 0 339.357 4.429 50 0 EIAARN Cc1ccc(N2C(=O)C(=N)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000004795899 210280684 /nfs/dbraw/zinc/28/06/84/210280684.db2.gz AIFHOMDDGSJIOK-UHFFFAOYSA-N 0 0 348.189 4.252 50 0 EIAARN Cc1cccc(N2C(=O)S[C@H](Nc3cc(C)ccc3C)C2=O)c1 ZINC000004794154 210279000 /nfs/dbraw/zinc/27/90/00/210279000.db2.gz KUNMALNNBVULNY-INIZCTEOSA-N 0 0 326.421 4.250 50 0 EIAARN CCCCSc1ncc(CN2CCCC[C@@H]2c2cc(C)on2)cn1 ZINC000097505836 219031740 /nfs/dbraw/zinc/03/17/40/219031740.db2.gz DRADBHBDYDRTSK-QGZVFWFLSA-N 0 0 346.500 4.392 50 0 EIAARN CO[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1Cl ZINC000131090811 533169727 /nfs/dbraw/zinc/16/97/27/533169727.db2.gz HFHWROYXESHGOJ-CQSZACIVSA-N 0 0 340.757 4.127 50 0 EIAARN Cn1nc(C2CCC2)cc1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000153917748 224176170 /nfs/dbraw/zinc/17/61/70/224176170.db2.gz YKDOXSCROXZBAE-UHFFFAOYSA-N 0 0 342.418 4.023 50 0 EIAARN Cc1sc2ncnc(Nc3ccc4c(c3)OCCCO4)c2c1C ZINC000008054283 257898478 /nfs/dbraw/zinc/89/84/78/257898478.db2.gz WCZQNWDDSGNCGV-UHFFFAOYSA-N 0 0 327.409 4.213 50 0 EIAARN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1ccc(-c2cccnc2)cc1 ZINC000096446747 257834164 /nfs/dbraw/zinc/83/41/64/257834164.db2.gz OVGURIZOSNHUCM-JVPBZIDWSA-N 0 0 332.403 4.323 50 0 EIAARN COc1ccc(C2=CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000040119703 257854008 /nfs/dbraw/zinc/85/40/08/257854008.db2.gz NFCXZQFTLGFFTL-UHFFFAOYSA-N 0 0 327.811 4.278 50 0 EIAARN Cc1csc(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)n1 ZINC000011907436 257951215 /nfs/dbraw/zinc/95/12/15/257951215.db2.gz UNEZKWBLZQXROM-GFCCVEGCSA-N 0 0 343.477 4.427 50 0 EIAARN Cc1ccnc(Oc2ccc(NC(=O)c3cc(F)ccc3F)cc2)n1 ZINC000177350708 257954331 /nfs/dbraw/zinc/95/43/31/257954331.db2.gz JMMACEWBWIFJFQ-UHFFFAOYSA-N 0 0 341.317 4.108 50 0 EIAARN O=C(c1ccc(-c2ncccc2F)cc1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000426707189 257957625 /nfs/dbraw/zinc/95/76/25/257957625.db2.gz KVMFZZRADPJDBU-USTZCAOPSA-N 0 0 336.410 4.006 50 0 EIAARN COc1ccc(-c2nnc(SCCC(F)=C(F)F)o2)cc1OC ZINC000521394941 257947666 /nfs/dbraw/zinc/94/76/66/257947666.db2.gz CDJKYIUACJBYMF-UHFFFAOYSA-N 0 0 346.330 4.314 50 0 EIAARN CCOC(=O)c1ccc(OC(=O)/C=C/c2cccs2)c(Cl)c1 ZINC000000073942 258047398 /nfs/dbraw/zinc/04/73/98/258047398.db2.gz CBLLKWVKQLPJQF-SOFGYWHQSA-N 0 0 336.796 4.197 50 0 EIAARN Cc1cc(C(=O)N2CCCC[C@@H]2C(F)F)c(C)cc1Br ZINC000328589353 258044977 /nfs/dbraw/zinc/04/49/77/258044977.db2.gz PBMCTCDJFJMCJI-CYBMUJFWSA-N 0 0 346.215 4.326 50 0 EIAARN CSc1ccsc1C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000107111439 257975606 /nfs/dbraw/zinc/97/56/06/257975606.db2.gz NSYDIZCZKRDIEG-UHFFFAOYSA-N 0 0 347.440 4.106 50 0 EIAARN FC(F)c1cc(OCCC2OCCCO2)c2cc(Cl)ccc2n1 ZINC000408525289 257977466 /nfs/dbraw/zinc/97/74/66/257977466.db2.gz UHFOPVBMUYEMNB-UHFFFAOYSA-N 0 0 343.757 4.358 50 0 EIAARN CCCN(C(=O)c1cccc(CNC(C)=O)c1)c1ccc(Cl)cc1 ZINC000408514611 257983586 /nfs/dbraw/zinc/98/35/86/257983586.db2.gz FGGOOGQNQXIJQG-UHFFFAOYSA-N 0 0 344.842 4.033 50 0 EIAARN COc1ccccc1COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002996681 258002935 /nfs/dbraw/zinc/00/29/35/258002935.db2.gz FLXDNCOIRPKUDE-UHFFFAOYSA-N 0 0 336.387 4.259 50 0 biogenic EIAARN O=C(NCCCSc1ccccc1)c1ccncc1C(F)(F)F ZINC000330031594 258002941 /nfs/dbraw/zinc/00/29/41/258002941.db2.gz AQRNLXPGTBOQMG-UHFFFAOYSA-N 0 0 340.370 4.013 50 0 EIAARN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000107346254 258004004 /nfs/dbraw/zinc/00/40/04/258004004.db2.gz LEUWUVYHBZQDSK-PSBWJHGTSA-N 0 0 343.467 4.132 50 0 EIAARN CCc1nc(-c2cccc(NC(=O)N[C@H](C)C3=CCCCC3)c2)n[nH]1 ZINC000299771391 258083796 /nfs/dbraw/zinc/08/37/96/258083796.db2.gz WFZKQFDDTWVCMD-CYBMUJFWSA-N 0 0 339.443 4.045 50 0 EIAARN COC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(F)c(C)c2)c1 ZINC000299772820 258084872 /nfs/dbraw/zinc/08/48/72/258084872.db2.gz AFVVNQIOTQRDRN-SFHVURJKSA-N 0 0 327.399 4.052 50 0 EIAARN COc1ccccc1[C@H]1CN(Cc2ccco2)Cc2ccccc2O1 ZINC000299776026 258086775 /nfs/dbraw/zinc/08/67/75/258086775.db2.gz MRRZTQADEHDRTO-OAQYLSRUSA-N 0 0 335.403 4.424 50 0 EIAARN CSc1ccccc1-c1cccc(C(=O)NCC[C@@H]2CCOC2)c1 ZINC000299782489 258090674 /nfs/dbraw/zinc/09/06/74/258090674.db2.gz SVPHYMCHSKXXKO-OAHLLOKOSA-N 0 0 341.476 4.232 50 0 EIAARN Cc1noc(C)c1-c1cccc(C(=O)N(Cc2ccncc2)C2CC2)c1 ZINC000299787107 258093422 /nfs/dbraw/zinc/09/34/22/258093422.db2.gz OXYGGBOMHGNBBQ-UHFFFAOYSA-N 0 0 347.418 4.158 50 0 EIAARN O=C(Nc1cccc(C(=O)NC2CCCCCC2)c1)c1ccccc1 ZINC000000464975 258048472 /nfs/dbraw/zinc/04/84/72/258048472.db2.gz FQEBQEMCEQUARZ-UHFFFAOYSA-N 0 0 336.435 4.392 50 0 EIAARN COc1ccc(-c2cnn(-c3nc(-c4ccccc4)cs3)c2N)cc1 ZINC000001386155 258049040 /nfs/dbraw/zinc/04/90/40/258049040.db2.gz HAXRQXZAPYRWTO-UHFFFAOYSA-N 0 0 348.431 4.254 50 0 EIAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(-n3cccc3)nc2n1 ZINC000001386071 258049067 /nfs/dbraw/zinc/04/90/67/258049067.db2.gz OTRWOJXHDHOSOA-UHFFFAOYSA-N 0 0 331.219 4.458 50 0 EIAARN CC[C@H](NS(=O)(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000006489272 258051995 /nfs/dbraw/zinc/05/19/95/258051995.db2.gz OOFWSWYJHGPRPA-RDVIWEACSA-N 0 0 339.526 4.021 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000007975650 258053196 /nfs/dbraw/zinc/05/31/96/258053196.db2.gz BONCPFMKJWHKCI-UHFFFAOYSA-N 0 0 339.313 4.365 50 0 EIAARN CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000007785803 258053198 /nfs/dbraw/zinc/05/31/98/258053198.db2.gz OHBVYWFTLBSWRG-UHFFFAOYSA-N 0 0 330.431 4.424 50 0 EIAARN O=C(OCc1cc(-c2ccccc2)no1)c1c[nH]nc1-c1ccccc1 ZINC000012535087 258054531 /nfs/dbraw/zinc/05/45/31/258054531.db2.gz GNWCEDUZBZZJIV-UHFFFAOYSA-N 0 0 345.358 4.089 50 0 EIAARN CC(=O)c1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 ZINC000012615870 258055181 /nfs/dbraw/zinc/05/51/81/258055181.db2.gz JPLVVMDFHJVDHE-UHFFFAOYSA-N 0 0 342.445 4.255 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1 ZINC000012878776 258055617 /nfs/dbraw/zinc/05/56/17/258055617.db2.gz OHLYBTJKTJJTQR-JXMROGBWSA-N 0 0 337.423 4.050 50 0 EIAARN Cc1nnc(COC(=O)c2ccccc2Nc2cccc(C)c2C)o1 ZINC000032879277 258058769 /nfs/dbraw/zinc/05/87/69/258058769.db2.gz OIHAAUFRZNQZOO-UHFFFAOYSA-N 0 0 337.379 4.095 50 0 EIAARN Cc1c(C(=O)Oc2ccc(-c3nc4ccccc4s3)cc2)cnn1C ZINC000032879942 258059178 /nfs/dbraw/zinc/05/91/78/258059178.db2.gz OXRNBHJFUUVORC-UHFFFAOYSA-N 0 0 349.415 4.224 50 0 EIAARN CC(C)CN(C/C=C/c1ccccc1)C(=O)c1ccc2nccn2c1 ZINC000055060898 258061313 /nfs/dbraw/zinc/06/13/13/258061313.db2.gz WSWJNBUIBPJBAC-RMKNXTFCSA-N 0 0 333.435 4.146 50 0 EIAARN CCCNC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578506 258062515 /nfs/dbraw/zinc/06/25/15/258062515.db2.gz IKSBWSPOIVPYKH-UHFFFAOYSA-N 0 0 333.391 4.076 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000245238632 258072979 /nfs/dbraw/zinc/07/29/79/258072979.db2.gz XBSQQVJXPODPRW-AFNVMLQPSA-N 0 0 344.495 4.386 50 0 EIAARN CCOC(=O)[C@@H]1CN(N=O)[C@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000245239029 258073041 /nfs/dbraw/zinc/07/30/41/258073041.db2.gz DPZKOOVUUPQRNK-OTWHNJEPSA-N 0 0 338.407 4.078 50 0 EIAARN C[C@@H]1C(=O)N(c2cccc3ccccc32)CCN1Cc1ccccc1 ZINC000037520289 132395095 /nfs/dbraw/zinc/39/50/95/132395095.db2.gz IMFPRXPAMJHQNF-QGZVFWFLSA-N 0 0 330.431 4.077 50 0 EIAARN C[C@@H]1C(=O)N(c2cccc3ccccc32)CCN1Cc1ccccc1F ZINC000037521187 132395147 /nfs/dbraw/zinc/39/51/47/132395147.db2.gz QUPAKHLOSRHEMI-MRXNPFEDSA-N 0 0 348.421 4.216 50 0 EIAARN O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ncccc2Cl)C1 ZINC000040134934 132398670 /nfs/dbraw/zinc/39/86/70/132398670.db2.gz OOPQHNMKXIMVNR-HNNXBMFYSA-N 0 0 349.906 4.181 50 0 EIAARN C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000040120904 132399006 /nfs/dbraw/zinc/39/90/06/132399006.db2.gz BVHSPSXFKOAMIB-CQSZACIVSA-N 0 0 344.484 4.358 50 0 EIAARN Cc1cccc(N2C[C@H](C)N(Cc3c(F)cccc3Cl)CC2=O)c1 ZINC000082087727 132818506 /nfs/dbraw/zinc/81/85/06/132818506.db2.gz MCJZNSUKNWTNPG-AWEZNQCLSA-N 0 0 346.833 4.025 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1ccccc1)c1cc(Cl)ccc1O2 ZINC000000424797 135650029 /nfs/dbraw/zinc/65/00/29/135650029.db2.gz YZSPARURQDATIM-RHSMWYFYSA-N 0 0 330.840 4.275 50 0 EIAARN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cc(C)cc(C)c2)C(=O)N1 ZINC000006819192 135677236 /nfs/dbraw/zinc/67/72/36/135677236.db2.gz GSHHMPHBEQYWSP-PXNSSMCTSA-N 0 0 338.407 4.082 50 0 EIAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)o1 ZINC000007884986 135681686 /nfs/dbraw/zinc/68/16/86/135681686.db2.gz RAGHYPRXYQSHNX-LJQANCHMSA-N 0 0 348.358 4.088 50 0 EIAARN Cc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000012557520 135696652 /nfs/dbraw/zinc/69/66/52/135696652.db2.gz HGSLVCFWFNKENO-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN Cc1cc(C)c2c(n1)sc1c2NCN(c2ccccc2F)C1=O ZINC000015670731 135707865 /nfs/dbraw/zinc/70/78/65/135707865.db2.gz 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O=C(CC1CCSCC1)N(Cc1cccs1)CC(F)(F)F ZINC000095417313 526371703 /nfs/dbraw/zinc/37/17/03/526371703.db2.gz SWVIDRZQAAIHPU-UHFFFAOYSA-N 0 0 337.432 4.172 50 0 EIAARN Fc1ccccc1Nc1nnc(SC[C@@H]2CCCCO2)s1 ZINC000003469174 526415632 /nfs/dbraw/zinc/41/56/32/526415632.db2.gz RQIOVUCXPZGETB-JTQLQIEISA-N 0 0 325.434 4.082 50 0 EIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1cc(F)ccc1F ZINC000035536568 526843586 /nfs/dbraw/zinc/84/35/86/526843586.db2.gz GHHBTVGFQUDOHT-UHFFFAOYSA-N 0 0 332.281 4.320 50 0 EIAARN O=C(NC1CC1)c1ccc(NCc2cccc(Cl)c2Cl)cc1 ZINC000253393874 527495565 /nfs/dbraw/zinc/49/55/65/527495565.db2.gz HTOIXEFHWBRRJY-UHFFFAOYSA-N 0 0 335.234 4.498 50 0 EIAARN CCNc1nnc(SCc2sc(C)nc2C(F)(F)F)s1 ZINC000183657703 528450912 /nfs/dbraw/zinc/45/09/12/528450912.db2.gz YCCRMYKCHRRTMB-UHFFFAOYSA-N 0 0 340.421 4.046 50 0 EIAARN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000169763803 528896337 /nfs/dbraw/zinc/89/63/37/528896337.db2.gz VKTCWLZASBSZRF-ACZWYYKOSA-N 0 0 343.854 4.458 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336.254 4.315 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000025375205 563883954 /nfs/dbraw/zinc/88/39/54/563883954.db2.gz BWTRTHZLMOJYHD-KGLIPLIRSA-N 0 0 349.418 4.011 50 0 EIAARN CCC[C@@H](C)NC(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000005780478 564040875 /nfs/dbraw/zinc/04/08/75/564040875.db2.gz XDOOCYLIGGHMIS-SECBINFHSA-N 0 0 328.890 4.347 50 0 EIAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Br)o1 ZINC000006250564 564083251 /nfs/dbraw/zinc/08/32/51/564083251.db2.gz AIZHEQQBGRHMOD-SECBINFHSA-N 0 0 338.176 4.163 50 0 EIAARN O=[S@@](Cc1csc(Br)c1)Cc1ccc(F)cc1 ZINC000096404288 564147229 /nfs/dbraw/zinc/14/72/29/564147229.db2.gz XLDKFKMCYULJTD-KRWDZBQOSA-N 0 0 333.247 4.099 50 0 EIAARN Cn1c(Cc2ccsc2)nnc1SCc1ccc(Cl)cc1 ZINC000000120997 563234084 /nfs/dbraw/zinc/23/40/84/563234084.db2.gz FMJHXTCOJYTURX-UHFFFAOYSA-N 0 0 335.885 4.413 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(C)c1 ZINC000000304388 563277126 /nfs/dbraw/zinc/27/71/26/563277126.db2.gz RRIDJKWAKLWDFR-UHFFFAOYSA-N 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/nfs/dbraw/zinc/21/76/26/563217626.db2.gz ZOOBSZCMNMFBFQ-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN CC(=O)CSC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000080344 563218376 /nfs/dbraw/zinc/21/83/76/563218376.db2.gz YRYKRHILWOGUHX-UHFFFAOYSA-N 0 0 344.219 4.419 50 0 EIAARN O=C1c2ccccc2C(=O)N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000082477 563219037 /nfs/dbraw/zinc/21/90/37/563219037.db2.gz ZXYZJLZJIDNEAK-UHFFFAOYSA-N 0 0 340.791 4.264 50 0 EIAARN COc1ccccc1C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000000083382 563219280 /nfs/dbraw/zinc/21/92/80/563219280.db2.gz MSNGYVQHJIJLAQ-UHFFFAOYSA-N 0 0 329.827 4.368 50 0 EIAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)Nc1ccccc1-2 ZINC000000086186 563219979 /nfs/dbraw/zinc/21/99/79/563219979.db2.gz KUUKELOXRFAZKV-HNNXBMFYSA-N 0 0 340.408 4.055 50 0 EIAARN COC(=O)Oc1ccc2c(c1)occ(Oc1ccc(C)cc1)c2=O ZINC000000090619 563222151 /nfs/dbraw/zinc/22/21/51/563222151.db2.gz DIENRFWKHKTZHF-UHFFFAOYSA-N 0 0 326.304 4.039 50 0 EIAARN CCN1c2ccc(NC(=O)c3ccc(F)cc3)c3cccc(c23)C1=O ZINC000000102922 563226498 /nfs/dbraw/zinc/22/64/98/563226498.db2.gz BNROFBTVOJRNKR-UHFFFAOYSA-N 0 0 334.350 4.211 50 0 EIAARN C[C@H]1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)C[C@H](C)O1 ZINC000000110859 563229681 /nfs/dbraw/zinc/22/96/81/563229681.db2.gz AVGKSJIJRPKZAM-HOTGVXAUSA-N 0 0 346.430 4.151 50 0 EIAARN COc1ccc([C@@H]2c3ccsc3CCN2C(=O)NC(C)(C)C)cc1 ZINC000000112809 563230490 /nfs/dbraw/zinc/23/04/90/563230490.db2.gz GPZLXETWYWTFIY-QGZVFWFLSA-N 0 0 344.480 4.212 50 0 EIAARN COc1ccc(Br)c(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000000114156 563231235 /nfs/dbraw/zinc/23/12/35/563231235.db2.gz JBLIFFVZVRLZRC-UHFFFAOYSA-N 0 0 345.196 4.483 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1 ZINC000000119544 563233677 /nfs/dbraw/zinc/23/36/77/563233677.db2.gz PQLHUQVEDOWPJK-UHFFFAOYSA-N 0 0 338.432 4.206 50 0 EIAARN Cc1ccc(-c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 ZINC000000121376 563234394 /nfs/dbraw/zinc/23/43/94/563234394.db2.gz JGPMTGXWZTTZRX-UHFFFAOYSA-N 0 0 331.415 4.357 50 0 EIAARN Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(C)cc3C)C2=O)c1 ZINC000000121727 563234809 /nfs/dbraw/zinc/23/48/09/563234809.db2.gz RLWINKWCZYVIEQ-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN Cc1c(C(=O)Sc2ccccc2)sc2nc(C(F)(F)F)nn12 ZINC000000124287 563236142 /nfs/dbraw/zinc/23/61/42/563236142.db2.gz HJIGFPCTZFVQJD-UHFFFAOYSA-N 0 0 343.355 4.051 50 0 EIAARN CCOc1ccc(NC(=O)c2c(N)sc3c2CCCCC3)cc1 ZINC000000130307 563238341 /nfs/dbraw/zinc/23/83/41/563238341.db2.gz FYPBOQIXCPWSOF-UHFFFAOYSA-N 0 0 330.453 4.250 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000000131189 563238397 /nfs/dbraw/zinc/23/83/97/563238397.db2.gz SKRULXQLEXLKED-LFYBBSHMSA-N 0 0 327.355 4.043 50 0 EIAARN COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 ZINC000000133616 563239385 /nfs/dbraw/zinc/23/93/85/563239385.db2.gz LMRZNTSHJKPQEH-UHFFFAOYSA-N 0 0 343.423 4.019 50 0 EIAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc2ccccc2oc1=O ZINC000000133963 563239893 /nfs/dbraw/zinc/23/98/93/563239893.db2.gz UPLGTJFVIHONDV-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000000143766 563243237 /nfs/dbraw/zinc/24/32/37/563243237.db2.gz MFNSLKMTFOOJKS-QMMMGPOBSA-N 0 0 342.675 4.210 50 0 EIAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000000145411 563244240 /nfs/dbraw/zinc/24/42/40/563244240.db2.gz LAYALERPAFCWPK-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN Cc1c(C(=O)N2CCCc3cc(C)ccc32)cnn1-c1ccc(F)cc1 ZINC000000146383 563244486 /nfs/dbraw/zinc/24/44/86/563244486.db2.gz DSIYQZUYEGMSEX-UHFFFAOYSA-N 0 0 349.409 4.221 50 0 EIAARN CCOc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 ZINC000000149925 563245725 /nfs/dbraw/zinc/24/57/25/563245725.db2.gz YMEOUKHACVMFLV-UHFFFAOYSA-N 0 0 341.436 4.146 50 0 EIAARN COc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 ZINC000000157939 563248510 /nfs/dbraw/zinc/24/85/10/563248510.db2.gz BNGSYLQFZPCEHU-UHFFFAOYSA-N 0 0 349.390 4.313 50 0 EIAARN O=C(Nc1ccccc1)Nc1cc(Br)cnc1Cl ZINC000000166794 563249660 /nfs/dbraw/zinc/24/96/60/563249660.db2.gz CYECHEVMNRNOIB-UHFFFAOYSA-N 0 0 326.581 4.142 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1)c1cccs1 ZINC000000172804 563252034 /nfs/dbraw/zinc/25/20/34/563252034.db2.gz HZZUBEVCTSBMHA-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccccc1 ZINC000000175950 563252731 /nfs/dbraw/zinc/25/27/31/563252731.db2.gz RVJAOAAMFAHDOO-UHFFFAOYSA-N 0 0 346.411 4.008 50 0 EIAARN COc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)cc1 ZINC000000176153 563252959 /nfs/dbraw/zinc/25/29/59/563252959.db2.gz SLFABDBCIWZEMC-UHFFFAOYSA-N 0 0 334.419 4.296 50 0 EIAARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccnc1 ZINC000000180374 563254146 /nfs/dbraw/zinc/25/41/46/563254146.db2.gz UNXLPSYDYAUUJF-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN COc1ccc(C2(C(=O)Nc3ccc(C)cc3)CCCC2)cc1OC ZINC000000184586 563255153 /nfs/dbraw/zinc/25/51/53/563255153.db2.gz QNQMEILGTYJKGP-UHFFFAOYSA-N 0 0 339.435 4.463 50 0 biogenic EIAARN CCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000000201142 563258686 /nfs/dbraw/zinc/25/86/86/563258686.db2.gz OLQJVXFSFSZYOU-UHFFFAOYSA-N 0 0 345.445 4.286 50 0 EIAARN CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1C ZINC000000200836 563258711 /nfs/dbraw/zinc/25/87/11/563258711.db2.gz XPPSGYCNYGEOAU-MRXNPFEDSA-N 0 0 335.451 4.370 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000000238311 563264563 /nfs/dbraw/zinc/26/45/63/563264563.db2.gz LUKVZOHDWSUNBD-UHFFFAOYSA-N 0 0 333.387 4.208 50 0 EIAARN CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC000000242930 563265411 /nfs/dbraw/zinc/26/54/11/563265411.db2.gz KGPZASWNRPVDKT-QGZVFWFLSA-N 0 0 338.451 4.162 50 0 EIAARN c1ccc(Cc2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 ZINC000000256974 563267443 /nfs/dbraw/zinc/26/74/43/563267443.db2.gz JVILBDMHOAUOCG-UHFFFAOYSA-N 0 0 334.448 4.199 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC000000268384 563269257 /nfs/dbraw/zinc/26/92/57/563269257.db2.gz KUNXFPFUKVXMES-UHFFFAOYSA-N 0 0 329.347 4.107 50 0 EIAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000279580 563271481 /nfs/dbraw/zinc/27/14/81/563271481.db2.gz CCWMSLYDTLVXJF-UHFFFAOYSA-N 0 0 340.442 4.086 50 0 EIAARN C[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000000278053 563271515 /nfs/dbraw/zinc/27/15/15/563271515.db2.gz CYXHKFCPUQJJSD-MEDUHNTESA-N 0 0 343.224 4.339 50 0 EIAARN CCOC(=O)c1c(C)oc2c1c(F)c(F)c(C(F)(F)F)c2F ZINC000000300965 563275678 /nfs/dbraw/zinc/27/56/78/563275678.db2.gz FNMAXERNSCKHHW-UHFFFAOYSA-N 0 0 326.192 4.354 50 0 EIAARN Cc1sc2nc(-c3ccc(Br)cc3)oc(=O)c2c1C ZINC000000305080 563277422 /nfs/dbraw/zinc/27/74/22/563277422.db2.gz DSTBWTBWHVNMMR-UHFFFAOYSA-N 0 0 336.210 4.296 50 0 EIAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(F)c1 ZINC000000308586 563279207 /nfs/dbraw/zinc/27/92/07/563279207.db2.gz BKMWAWNOWSXXHY-UHFFFAOYSA-N 0 0 328.170 4.458 50 0 EIAARN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1Br ZINC000000310708 563280614 /nfs/dbraw/zinc/28/06/14/563280614.db2.gz WRZGUIBPKJJCDB-UHFFFAOYSA-N 0 0 338.176 4.239 50 0 EIAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c4ccccc4ccc32)c1 ZINC000000310994 563280941 /nfs/dbraw/zinc/28/09/41/563280941.db2.gz KKNOZNJXFYPFAD-QGZVFWFLSA-N 0 0 333.387 4.331 50 0 EIAARN Cc1ccc(Cn2c3ccccc3[nH]c2=NC(=O)C2CCCCC2)cc1 ZINC000000315370 563282467 /nfs/dbraw/zinc/28/24/67/563282467.db2.gz FQLOBXYQZKLUSW-UHFFFAOYSA-N 0 0 347.462 4.334 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000000318763 563284047 /nfs/dbraw/zinc/28/40/47/563284047.db2.gz JXKNQXFVWYAXDV-HNNXBMFYSA-N 0 0 334.419 4.401 50 0 EIAARN O=C(NC(=S)Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000000342024 563286602 /nfs/dbraw/zinc/28/66/02/563286602.db2.gz YUNNQDOYBQWFGX-UHFFFAOYSA-N 0 0 346.455 4.332 50 0 EIAARN CCC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000341962 563286647 /nfs/dbraw/zinc/28/66/47/563286647.db2.gz WHSPAOAKOSHEEL-UHFFFAOYSA-N 0 0 334.828 4.355 50 0 EIAARN CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000000348010 563288324 /nfs/dbraw/zinc/28/83/24/563288324.db2.gz BDZUYECIQVBFTC-UHFFFAOYSA-N 0 0 326.783 4.369 50 0 EIAARN COc1ccc(-c2csc3nc(C(C)C)oc(=O)c23)cc1OC ZINC000000349930 563288988 /nfs/dbraw/zinc/28/89/88/563288988.db2.gz KEFNZUZKDZBHJN-UHFFFAOYSA-N 0 0 331.393 4.057 50 0 EIAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1-n1cccc1)CC2=O ZINC000000352743 563290128 /nfs/dbraw/zinc/29/01/28/563290128.db2.gz PRLVLEBEIFWTMG-LEWJYISDSA-N 0 0 336.435 4.201 50 0 EIAARN O=C(Oc1ccc(Br)cc1Br)c1ccco1 ZINC000000363322 563294774 /nfs/dbraw/zinc/29/47/74/563294774.db2.gz XCGLPEZAHFMUKN-UHFFFAOYSA-N 0 0 345.974 4.024 50 0 EIAARN COC(=O)c1ccccc1OC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000000364000 563294970 /nfs/dbraw/zinc/29/49/70/563294970.db2.gz JSLDFKUIJRNGOL-OAHLLOKOSA-N 0 0 340.419 4.381 50 0 EIAARN CCN(CC)c1ccc(NC(=O)COc2c(C)cccc2C)c(C)c1 ZINC000000365586 563296093 /nfs/dbraw/zinc/29/60/93/563296093.db2.gz PIOHFAQSPKCHTQ-UHFFFAOYSA-N 0 0 340.467 4.476 50 0 EIAARN COc1ccc(CCCC(=O)Nc2cccc(Br)c2)cc1 ZINC000000366303 563296673 /nfs/dbraw/zinc/29/66/73/563296673.db2.gz BSDJFAZXWSSMRK-UHFFFAOYSA-N 0 0 348.240 4.419 50 0 EIAARN CCOc1ccccc1C(=O)Nc1ccc(Br)cc1F ZINC000000373799 563298019 /nfs/dbraw/zinc/29/80/19/563298019.db2.gz JOCSKQWGNDXOMT-UHFFFAOYSA-N 0 0 338.176 4.239 50 0 EIAARN CC(=O)c1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)cc1 ZINC000000373724 563298042 /nfs/dbraw/zinc/29/80/42/563298042.db2.gz MGUADVWJUIKAFC-UHFFFAOYSA-N 0 0 331.799 4.177 50 0 EIAARN O=C(CSc1nc2cc(C(F)(F)F)ccc2s1)N1CCCC1 ZINC000000381991 563300075 /nfs/dbraw/zinc/30/00/75/563300075.db2.gz JOFFOCMIDADOSR-UHFFFAOYSA-N 0 0 346.399 4.030 50 0 EIAARN O=C(Nc1ccccc1COC(=O)c1cccs1)c1cccs1 ZINC000000383280 563300680 /nfs/dbraw/zinc/30/06/80/563300680.db2.gz CNNIHELGOYSCCK-UHFFFAOYSA-N 0 0 343.429 4.419 50 0 EIAARN O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)cc1 ZINC000000386047 563302603 /nfs/dbraw/zinc/30/26/03/563302603.db2.gz RYAURKIEWGFUHE-UHFFFAOYSA-N 0 0 349.799 4.104 50 0 EIAARN Cc1ccccc1NC(=O)CCSc1nnc(-c2ccccc2)o1 ZINC000000386072 563302861 /nfs/dbraw/zinc/30/28/61/563302861.db2.gz CVFGJTYKZXAIKS-UHFFFAOYSA-N 0 0 339.420 4.166 50 0 EIAARN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000000387155 563303507 /nfs/dbraw/zinc/30/35/07/563303507.db2.gz QSIPEMCAXJKEHH-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN CC(=O)Nc1ccc2c(c1)Cc1c-2cc(Cl)c(NC(C)=O)c1Cl ZINC000000398913 563305648 /nfs/dbraw/zinc/30/56/48/563305648.db2.gz JZFFDBVYIQKCHZ-UHFFFAOYSA-N 0 0 349.217 4.481 50 0 EIAARN Cc1ccc(CNc2ncnc3c2cnn3-c2cccc(C)c2)cc1 ZINC000000426472 563310058 /nfs/dbraw/zinc/31/00/58/563310058.db2.gz IPMVIZGWSUTIBF-UHFFFAOYSA-N 0 0 329.407 4.044 50 0 EIAARN Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 ZINC000000427681 563310740 /nfs/dbraw/zinc/31/07/40/563310740.db2.gz WOPUGMNDPRRTGL-GFCCVEGCSA-N 0 0 331.437 4.110 50 0 EIAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 ZINC000000432688 563311452 /nfs/dbraw/zinc/31/14/52/563311452.db2.gz MQKXDOXLKNLCEM-GOSISDBHSA-N 0 0 344.414 4.140 50 0 EIAARN CCOc1cc(C(=O)Nc2cccc(F)c2)cc(OCC)c1OCC ZINC000000433617 563311962 /nfs/dbraw/zinc/31/19/62/563311962.db2.gz IIAYVAHDVCJHBZ-UHFFFAOYSA-N 0 0 347.386 4.274 50 0 EIAARN COc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000000434757 563312607 /nfs/dbraw/zinc/31/26/07/563312607.db2.gz AXQDVSPUCPFEED-UHFFFAOYSA-N 0 0 343.386 4.491 50 0 EIAARN CCc1c(C)sc(NC(=O)Nc2ccc(Cl)cc2)c1C(N)=O ZINC000000441738 563314185 /nfs/dbraw/zinc/31/41/85/563314185.db2.gz JNKODYOULANAOV-UHFFFAOYSA-N 0 0 337.832 4.015 50 0 EIAARN CCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000000442576 563314747 /nfs/dbraw/zinc/31/47/47/563314747.db2.gz OSHUVGNTIFOMPV-UHFFFAOYSA-N 0 0 334.419 4.392 50 0 EIAARN COc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1OC ZINC000000442647 563314791 /nfs/dbraw/zinc/31/47/91/563314791.db2.gz PNQWWDMWMZTVAY-UHFFFAOYSA-N 0 0 340.379 4.107 50 0 EIAARN CCCc1nc2ccccc2n1C[C@H](O)COc1cccc(Cl)c1 ZINC000000447232 563317784 /nfs/dbraw/zinc/31/77/84/563317784.db2.gz STYWENGLCRSVLY-HNNXBMFYSA-N 0 0 344.842 4.082 50 0 EIAARN CCCc1nc2ccccc2n1C[C@@H](O)COc1cccc(Cl)c1 ZINC000000447233 563317788 /nfs/dbraw/zinc/31/77/88/563317788.db2.gz STYWENGLCRSVLY-OAHLLOKOSA-N 0 0 344.842 4.082 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000000449778 563319077 /nfs/dbraw/zinc/31/90/77/563319077.db2.gz RVEKXCJDJGMJJL-UHFFFAOYSA-N 0 0 345.704 4.500 50 0 EIAARN COc1ccc(-c2cc(=O)oc3cc(OC(C)=O)c(Cl)cc32)cc1 ZINC000000451534 563320718 /nfs/dbraw/zinc/32/07/18/563320718.db2.gz QGSYGXQXEUKCMT-UHFFFAOYSA-N 0 0 344.750 4.047 50 0 biogenic EIAARN Cc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000000452851 563321589 /nfs/dbraw/zinc/32/15/89/563321589.db2.gz AIUMOFQIJLOPKK-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN Cc1ccnc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000456353 563324187 /nfs/dbraw/zinc/32/41/87/563324187.db2.gz AIDXBLCPVVCOJI-UHFFFAOYSA-N 0 0 347.443 4.184 50 0 EIAARN Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000000456893 563324637 /nfs/dbraw/zinc/32/46/37/563324637.db2.gz YERRAIMZDMOMHY-UHFFFAOYSA-N 0 0 342.464 4.217 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000000459817 563325926 /nfs/dbraw/zinc/32/59/26/563325926.db2.gz PYYYGSHKRGGXNH-JXMROGBWSA-N 0 0 337.297 4.246 50 0 EIAARN Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000000463451 563327400 /nfs/dbraw/zinc/32/74/00/563327400.db2.gz ZHNAXTNBNPYDHB-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN C/C(=C/c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000463924 563327899 /nfs/dbraw/zinc/32/78/99/563327899.db2.gz YVZNXTFXGLVHHS-PEZBUJJGSA-N 0 0 340.854 4.092 50 0 EIAARN Cc1cc(C)cc(OCC(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000000464679 563328106 /nfs/dbraw/zinc/32/81/06/563328106.db2.gz HTEOCYUIHKMKBC-UHFFFAOYSA-N 0 0 338.451 4.311 50 0 EIAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000000466110 563328379 /nfs/dbraw/zinc/32/83/79/563328379.db2.gz WHUSFACGUFWXHB-UHFFFAOYSA-N 0 0 334.778 4.326 50 0 EIAARN CC(C)c1ccc(OCC(=O)NC2CCCC2)c(Br)c1 ZINC000000470113 563330755 /nfs/dbraw/zinc/33/07/55/563330755.db2.gz DKKKVKWMGHHPJE-UHFFFAOYSA-N 0 0 340.261 4.010 50 0 EIAARN O=C(NCc1ccco1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000000472439 563332156 /nfs/dbraw/zinc/33/21/56/563332156.db2.gz JYZNVLNKOOBNDJ-UHFFFAOYSA-N 0 0 335.281 4.488 50 0 EIAARN Cc1cccc2c(C(=O)N3CCC[C@H](C)C3)cc(-c3cccnc3)nc12 ZINC000000477202 563335090 /nfs/dbraw/zinc/33/50/90/563335090.db2.gz JQSFYIVZAZNLAN-HNNXBMFYSA-N 0 0 345.446 4.477 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000000478886 563335728 /nfs/dbraw/zinc/33/57/28/563335728.db2.gz NCRMBFPOSIYWRU-UHFFFAOYSA-N 0 0 349.839 4.166 50 0 EIAARN O=C(COC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000482478 563337098 /nfs/dbraw/zinc/33/70/98/563337098.db2.gz AWELQLZXHKGVER-UHFFFAOYSA-N 0 0 327.138 4.172 50 0 EIAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C)C ZINC000000503377 563339105 /nfs/dbraw/zinc/33/91/05/563339105.db2.gz VPJGJSUTPJIPRK-UHFFFAOYSA-N 0 0 331.437 4.495 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000000514207 563339912 /nfs/dbraw/zinc/33/99/12/563339912.db2.gz VXMUFQSIKJYGQT-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN COc1cccc(-c2nn3c(nnc3-c3ccccc3Cl)s2)c1 ZINC000000525210 563341145 /nfs/dbraw/zinc/34/11/45/563341145.db2.gz WBLHKATZHPUBHJ-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2F)S1 ZINC000000528782 563342109 /nfs/dbraw/zinc/34/21/09/563342109.db2.gz MXJUYMKBSINKRI-LLVKDONJSA-N 0 0 347.390 4.495 50 0 EIAARN COc1c(C)cccc1C(=O)Nc1ccccc1N1CCC(C)CC1 ZINC000000558433 563346790 /nfs/dbraw/zinc/34/67/90/563346790.db2.gz DDBCQRPGFBMZMM-UHFFFAOYSA-N 0 0 338.451 4.492 50 0 EIAARN Cc1ccc2nc(NC(=S)NC(=O)c3ccccc3C)sc2c1 ZINC000000570239 563349459 /nfs/dbraw/zinc/34/94/59/563349459.db2.gz YBTRNOQOMXVEBR-UHFFFAOYSA-N 0 0 341.461 4.040 50 0 EIAARN O=C(CSCc1c(F)cccc1Cl)NCCc1ccccc1 ZINC000000571585 563350152 /nfs/dbraw/zinc/35/01/52/563350152.db2.gz YBEFXGONUZSMRV-UHFFFAOYSA-N 0 0 337.847 4.071 50 0 EIAARN COc1ccccc1[C@@H]1Nc2ccccc2[C@H](OC(C)=O)C1(C)C ZINC000000576530 563350746 /nfs/dbraw/zinc/35/07/46/563350746.db2.gz LLXWSMOOHBWXTE-OALUTQOASA-N 0 0 325.408 4.492 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000000581753 563351475 /nfs/dbraw/zinc/35/14/75/563351475.db2.gz RQUBUMNNQRRZMO-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN COc1ccc(Cl)cc1NC(=S)N1c2ccccc2C[C@H]1C ZINC000000609482 563352867 /nfs/dbraw/zinc/35/28/67/563352867.db2.gz FYZXWEQVRVRKEV-LLVKDONJSA-N 0 0 332.856 4.497 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000000609550 563352886 /nfs/dbraw/zinc/35/28/86/563352886.db2.gz PXOXSXQSQYGPQO-UHFFFAOYSA-N 0 0 346.235 4.111 50 0 EIAARN CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000000610011 563353415 /nfs/dbraw/zinc/35/34/15/563353415.db2.gz QTTOUWCCYSWHMK-UHFFFAOYSA-N 0 0 333.453 4.318 50 0 EIAARN CCn1nc(C)c(NC(=S)Nc2ccccc2C(F)(F)F)c1C ZINC000000612001 563355030 /nfs/dbraw/zinc/35/50/30/563355030.db2.gz NWYUVDDRIUWFOG-UHFFFAOYSA-N 0 0 342.390 4.348 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)nc1 ZINC000000616484 563358507 /nfs/dbraw/zinc/35/85/07/563358507.db2.gz MFHQCJZFAVCQTC-UHFFFAOYSA-N 0 0 336.391 4.033 50 0 aggregator EIAARN Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1Cl ZINC000000617075 563358747 /nfs/dbraw/zinc/35/87/47/563358747.db2.gz ZRSNPSSERMAFTP-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl ZINC000000619694 563361401 /nfs/dbraw/zinc/36/14/01/563361401.db2.gz LFQYZLJIGOUIKM-UHFFFAOYSA-N 0 0 339.844 4.075 50 0 EIAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1nccs1 ZINC000000621169 563362124 /nfs/dbraw/zinc/36/21/24/563362124.db2.gz AVQSUQBJAPDVCN-UHFFFAOYSA-N 0 0 333.265 4.322 50 0 EIAARN O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCCCC1 ZINC000000815135 563364120 /nfs/dbraw/zinc/36/41/20/563364120.db2.gz UIJCGIVRGPFIFI-UHFFFAOYSA-N 0 0 325.195 4.275 50 0 EIAARN COc1cc(NC(=O)c2cccc(OC(C)C)c2)c(OC)cc1Cl ZINC000000859283 563365205 /nfs/dbraw/zinc/36/52/05/563365205.db2.gz AOMKIOMPFQEDJW-UHFFFAOYSA-N 0 0 349.814 4.397 50 0 EIAARN CCCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000096026449 563365971 /nfs/dbraw/zinc/36/59/71/563365971.db2.gz ULZPBJFEPSKMKF-HNNXBMFYSA-N 0 0 330.255 4.474 50 0 EIAARN Cc1cc(C(F)F)nn1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001002086 563367732 /nfs/dbraw/zinc/36/77/32/563367732.db2.gz QWOZTJVNHUWYTB-UHFFFAOYSA-N 0 0 334.153 4.075 50 0 EIAARN CC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000001003771 563368021 /nfs/dbraw/zinc/36/80/21/563368021.db2.gz OLIYDIWGEFYGSP-UHFFFAOYSA-N 0 0 341.461 4.105 50 0 EIAARN CCc1cn(C(=O)c2ccccc2F)nc1-c1c(F)cccc1F ZINC000001023968 563369389 /nfs/dbraw/zinc/36/93/89/563369389.db2.gz ZIIDWZOMCFZFCQ-UHFFFAOYSA-N 0 0 330.309 4.218 50 0 EIAARN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)cc1 ZINC000001062834 563372221 /nfs/dbraw/zinc/37/22/21/563372221.db2.gz PJUHEBLSRYDPFV-UHFFFAOYSA-N 0 0 335.494 4.334 50 0 EIAARN CC(=O)Nc1ccc(OCc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000001074272 563373563 /nfs/dbraw/zinc/37/35/63/563373563.db2.gz QKCUWBSVBHUOPI-UHFFFAOYSA-N 0 0 345.398 4.455 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000001075342 563373591 /nfs/dbraw/zinc/37/35/91/563373591.db2.gz MRGZXRNEUSQGPR-UHFFFAOYSA-N 0 0 344.414 4.211 50 0 EIAARN Cc1nc(CCC(=O)N(C)Cc2cccs2)oc1-c1ccccc1 ZINC000071882606 563373863 /nfs/dbraw/zinc/37/38/63/563373863.db2.gz SVZQQBPSPCXLDE-UHFFFAOYSA-N 0 0 340.448 4.303 50 0 EIAARN O=C1NC(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 ZINC000001083170 563374236 /nfs/dbraw/zinc/37/42/36/563374236.db2.gz XKNSKYLKHDXQLT-KPKJPENVSA-N 0 0 339.294 4.289 50 0 EIAARN Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(-c3cnco3)cc2)s1 ZINC000071883125 563374913 /nfs/dbraw/zinc/37/49/13/563374913.db2.gz BTKZFUZNCWOYQZ-LBPRGKRZSA-N 0 0 341.436 4.248 50 0 EIAARN COc1ccccc1N1C(=O)S/C(=C\c2ccc(C)s2)C1=O ZINC000001135166 563376001 /nfs/dbraw/zinc/37/60/01/563376001.db2.gz CKTIARXUFCVGMF-ZROIWOOFSA-N 0 0 331.418 4.306 50 0 EIAARN O=C(C(=O)N(CC(F)(F)F)C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000071884225 563379901 /nfs/dbraw/zinc/37/99/01/563379901.db2.gz VGZDMATXWIYTFX-UHFFFAOYSA-N 0 0 347.336 4.090 50 0 EIAARN COc1ccc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001235762 563381013 /nfs/dbraw/zinc/38/10/13/563381013.db2.gz NOBIKRMHAAKCIX-WJDWOHSUSA-N 0 0 325.389 4.245 50 0 EIAARN CCOc1ccc2[nH]c(=NC(=O)Nc3cccc(Cl)c3)sc2c1 ZINC000001243535 563381014 /nfs/dbraw/zinc/38/10/14/563381014.db2.gz ZVOZPPCMJAGRAP-UHFFFAOYSA-N 0 0 347.827 4.414 50 0 EIAARN S=C1N=NC(c2ccc3ccccc3n2)N1c1ccc(Cl)cc1 ZINC000001263726 563382093 /nfs/dbraw/zinc/38/20/93/563382093.db2.gz NEUZYMNJUNTSIF-UHFFFAOYSA-N 0 0 338.823 4.425 50 0 aggregator EIAARN COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000001385132 563385090 /nfs/dbraw/zinc/38/50/90/563385090.db2.gz FSDCYFGZUHLOHY-UHFFFAOYSA-N 0 0 343.814 4.194 50 0 EIAARN CCOC(=O)N[C@@H](c1ccccc1F)[C@H]1CCc2ccccc2C1=O ZINC000001394508 563386034 /nfs/dbraw/zinc/38/60/34/563386034.db2.gz DSIBFIVRUVDNPE-AEFFLSMTSA-N 0 0 341.382 4.058 50 0 EIAARN Oc1cc(OCc2cccc(C(F)(F)F)c2)ccc1-c1cc[nH]n1 ZINC000001402223 563387416 /nfs/dbraw/zinc/38/74/16/563387416.db2.gz CIQZYAIUOPAMHV-UHFFFAOYSA-N 0 0 334.297 4.380 50 0 EIAARN Cc1nc([C@@H](C)NC(=O)NCc2cccc(C(F)(F)F)c2)cs1 ZINC000071886627 563387478 /nfs/dbraw/zinc/38/74/78/563387478.db2.gz FUHQVSUNDSNBFR-SECBINFHSA-N 0 0 343.374 4.031 50 0 EIAARN CCN(CC)C(=O)c1sc2nc(-c3ccccc3)ccc2c1N ZINC000001472212 563391075 /nfs/dbraw/zinc/39/10/75/563391075.db2.gz JSDSEMOEGVFOTF-UHFFFAOYSA-N 0 0 325.437 4.028 50 0 EIAARN COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1OC ZINC000001588990 563394622 /nfs/dbraw/zinc/39/46/22/563394622.db2.gz KOJWTTVTBGNMDB-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCCCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000001770685 563410276 /nfs/dbraw/zinc/41/02/76/563410276.db2.gz XUPZEUYOJBLEME-NSHDSACASA-N 0 0 339.457 4.398 50 0 EIAARN CCCCOc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000001839842 563413706 /nfs/dbraw/zinc/41/37/06/563413706.db2.gz GRGRITPWAFYSCT-UHFFFAOYSA-N 0 0 327.468 4.420 50 0 EIAARN CCCCOCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000001850411 563414199 /nfs/dbraw/zinc/41/41/99/563414199.db2.gz NCMJQZVNCFTQPG-NSHDSACASA-N 0 0 335.227 4.121 50 0 EIAARN CCCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000002081098 563421957 /nfs/dbraw/zinc/42/19/57/563421957.db2.gz RLZUHPNGSHKASZ-BOPFTXTBSA-N 0 0 341.794 4.473 50 0 EIAARN CCOC(CN(C(=O)c1ccc(F)cc1)c1ccc(F)cc1)OCC ZINC000002151253 563424037 /nfs/dbraw/zinc/42/40/37/563424037.db2.gz DIVKWNGXHGZRMX-UHFFFAOYSA-N 0 0 349.377 4.011 50 0 EIAARN COc1cccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c1 ZINC000002267828 563428106 /nfs/dbraw/zinc/42/81/06/563428106.db2.gz XSHXZGUPONVCNV-QGZVFWFLSA-N 0 0 346.430 4.276 50 0 EIAARN CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000002280582 563428370 /nfs/dbraw/zinc/42/83/70/563428370.db2.gz XGXHTFAZNLUKJS-UHFFFAOYSA-N 0 0 334.419 4.440 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000002438044 563432449 /nfs/dbraw/zinc/43/24/49/563432449.db2.gz XFBPUROHNUDMQB-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN O=C1C[C@H](c2cccc3ccccc32)c2cc3c(cc2N1)OCCO3 ZINC000002499188 563434617 /nfs/dbraw/zinc/43/46/17/563434617.db2.gz BNJQDKSAKXREOC-MRXNPFEDSA-N 0 0 331.371 4.085 50 0 EIAARN O=C1C[C@@H](c2cccc3ccccc32)c2cc3c(cc2N1)OCCO3 ZINC000002499195 563434633 /nfs/dbraw/zinc/43/46/33/563434633.db2.gz BNJQDKSAKXREOC-INIZCTEOSA-N 0 0 331.371 4.085 50 0 EIAARN Cc1cccc(C)c1C(=O)c1cccc(CN2CCSCC2)c1 ZINC000002515291 563436347 /nfs/dbraw/zinc/43/63/47/563436347.db2.gz SDGIZBWECUOTSP-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN O=C(c1cccc(Br)c1)c1cccc(CN2CC=CC2)c1 ZINC000002515391 563436585 /nfs/dbraw/zinc/43/65/85/563436585.db2.gz LPPXCFGDERAWJW-UHFFFAOYSA-N 0 0 342.236 4.052 50 0 EIAARN COc1cccc(C=O)c1Oc1ncc(C(F)(F)F)cc1Cl ZINC000002543378 563440245 /nfs/dbraw/zinc/44/02/45/563440245.db2.gz WJUNWBBYGDEOLG-UHFFFAOYSA-N 0 0 331.677 4.367 50 0 EIAARN Nc1nc(-c2ccccc2)nc(N)c1Cc1ccc(Cl)cc1Cl ZINC000002559816 563441610 /nfs/dbraw/zinc/44/16/10/563441610.db2.gz APOKQUMQMDXZBC-UHFFFAOYSA-N 0 0 345.233 4.206 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@@]34C)OCCO5)[C@@H]1CCC2=O ZINC000002562696 563441935 /nfs/dbraw/zinc/44/19/35/563441935.db2.gz QGISYVREUUQQKE-VFPCOIFRSA-N 0 0 332.484 4.341 50 0 EIAARN COc1cc(C=O)ccc1Oc1ncnc2sc3c(c21)CCCC3 ZINC000002608270 563444355 /nfs/dbraw/zinc/44/43/55/563444355.db2.gz VUNVFFWSPCLOHT-UHFFFAOYSA-N 0 0 340.404 4.184 50 0 EIAARN CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 ZINC000002740691 563448083 /nfs/dbraw/zinc/44/80/83/563448083.db2.gz DOGZPYZRYSSSEZ-UHFFFAOYSA-N 0 0 347.436 4.429 50 0 EIAARN COc1cccc(OC)c1C(=O)Nc1cc(Cl)ccc1Cl ZINC000002746522 563448390 /nfs/dbraw/zinc/44/83/90/563448390.db2.gz OQUFNNWGLXKTBS-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN O=C(CCCOc1ccccc1)Nc1nnc(C2CCCCC2)s1 ZINC000002818599 563452567 /nfs/dbraw/zinc/45/25/67/563452567.db2.gz AQILMYYSXPHBHL-UHFFFAOYSA-N 0 0 345.468 4.384 50 0 EIAARN Cc1ccc(OCCCCn2cnc3ccccc3c2=O)c(Cl)c1 ZINC000002862686 563457502 /nfs/dbraw/zinc/45/75/02/563457502.db2.gz FATFWUOQQLMXLX-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN O=C(Nc1nnc(SC/C=C/c2ccccc2)s1)c1ccco1 ZINC000002872072 563459014 /nfs/dbraw/zinc/45/90/14/563459014.db2.gz MFQDGKGDUUDZQV-VMPITWQZSA-N 0 0 343.433 4.189 50 0 EIAARN CCCN(CCC)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002871610 563459026 /nfs/dbraw/zinc/45/90/26/563459026.db2.gz FNPLGUOFZNEWCZ-UHFFFAOYSA-N 0 0 340.492 4.490 50 0 EIAARN Cc1cc(C)c(OCC(=O)Nc2ccc(Br)cc2)cc1C ZINC000002880683 563460828 /nfs/dbraw/zinc/46/08/28/563460828.db2.gz URWLULIOFGCXKH-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1Cl ZINC000002882166 563461165 /nfs/dbraw/zinc/46/11/65/563461165.db2.gz DXQVFVZWJZGMDT-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000002960749 563464565 /nfs/dbraw/zinc/46/45/65/563464565.db2.gz LUBUJXJCPGCJKV-UHFFFAOYSA-N 0 0 330.815 4.201 50 0 EIAARN Brc1ccccc1OCCOc1cccc2cccnc21 ZINC000002985698 563466822 /nfs/dbraw/zinc/46/68/22/563466822.db2.gz XNAGQBNTHBRSET-UHFFFAOYSA-N 0 0 344.208 4.455 50 0 EIAARN COc1cccc(OC)c1OCCOc1cc(C)c(Cl)cc1C ZINC000002985633 563466828 /nfs/dbraw/zinc/46/68/28/563466828.db2.gz OKDOEGDWEIGSNU-UHFFFAOYSA-N 0 0 336.815 4.432 50 0 EIAARN COc1cccc(OCCOCCOc2cc(C)ccc2Cl)c1 ZINC000002985889 563467128 /nfs/dbraw/zinc/46/71/28/563467128.db2.gz VNCUUWCRRFYKQF-UHFFFAOYSA-N 0 0 336.815 4.131 50 0 EIAARN COc1cc(C=O)ccc1OCCOc1c(Cl)cccc1Cl ZINC000002991144 563468136 /nfs/dbraw/zinc/46/81/36/563468136.db2.gz UAILWFCFWKAJEJ-UHFFFAOYSA-N 0 0 341.190 4.272 50 0 EIAARN CCC(CC)S(=O)(=O)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000071892342 563471063 /nfs/dbraw/zinc/47/10/63/563471063.db2.gz MQXQKKDVKSCNMR-UHFFFAOYSA-N 0 0 327.833 4.098 50 0 EIAARN CCCCOc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)cc1 ZINC000003099592 563471720 /nfs/dbraw/zinc/47/17/20/563471720.db2.gz KDLHFJIJEJDFJJ-UHFFFAOYSA-N 0 0 329.783 4.320 50 0 EIAARN Cc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034791954 563479186 /nfs/dbraw/zinc/47/91/86/563479186.db2.gz OPSRWDBSAFIORL-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CCCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccccc1 ZINC000034794594 563479650 /nfs/dbraw/zinc/47/96/50/563479650.db2.gz KPOQCFXWWCUUPT-UHFFFAOYSA-N 0 0 349.390 4.010 50 0 EIAARN CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccccc1F ZINC000034794991 563479936 /nfs/dbraw/zinc/47/99/36/563479936.db2.gz ANVAERAPJJEPPX-UHFFFAOYSA-N 0 0 327.334 4.170 50 0 EIAARN CCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)c1ccccc1 ZINC000034796160 563480684 /nfs/dbraw/zinc/48/06/84/563480684.db2.gz AISXBOLVEAZVJA-UHFFFAOYSA-N 0 0 335.407 4.290 50 0 EIAARN CCn1nc(-c2cccc(F)c2)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000034903559 563481337 /nfs/dbraw/zinc/48/13/37/563481337.db2.gz ROHJJFRPSVPNGP-AWEZNQCLSA-N 0 0 337.398 4.200 50 0 EIAARN Cc1cc(NC(=O)c2oc3ccccc3c2C)nn1-c1ccccc1 ZINC000034907528 563481831 /nfs/dbraw/zinc/48/18/31/563481831.db2.gz KXDWISQLJNZINQ-UHFFFAOYSA-N 0 0 331.375 4.488 50 0 EIAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(CC)n1 ZINC000034901988 563483971 /nfs/dbraw/zinc/48/39/71/563483971.db2.gz YHRSCSZUUGCMRW-CQSZACIVSA-N 0 0 327.472 4.396 50 0 EIAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)Cc2ccccc2)cc1 ZINC000034912855 563484943 /nfs/dbraw/zinc/48/49/43/563484943.db2.gz ZMMWLDPRMVUXLH-UHFFFAOYSA-N 0 0 341.414 4.491 50 0 EIAARN CCc1nnc([C@H](C)Sc2nnc(NC3CCCCC3)s2)o1 ZINC000071893896 563487925 /nfs/dbraw/zinc/48/79/25/563487925.db2.gz DYKJGLKUKCCHGL-VIFPVBQESA-N 0 0 339.490 4.081 50 0 EIAARN CCOC(=O)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000004776375 563511231 /nfs/dbraw/zinc/51/12/31/563511231.db2.gz KDVDFTWAIFPBSA-OAHLLOKOSA-N 0 0 340.404 4.133 50 0 EIAARN C[C@H](O)C[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000005323343 563526459 /nfs/dbraw/zinc/52/64/59/563526459.db2.gz ZSJFLHASBREOPB-HNNXBMFYSA-N 0 0 339.410 4.028 50 0 EIAARN O=C(Cc1cccc2ccccc21)Nc1ccc(N2CCCC2=O)cc1 ZINC000005439841 563532808 /nfs/dbraw/zinc/53/28/08/563532808.db2.gz MPOIDWVOVVIIAI-UHFFFAOYSA-N 0 0 344.414 4.148 50 0 EIAARN CC1(C)Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000005500052 563535409 /nfs/dbraw/zinc/53/54/09/563535409.db2.gz RWOGTWULDJEHBL-CYBMUJFWSA-N 0 0 347.212 4.322 50 0 EIAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000005731492 563547690 /nfs/dbraw/zinc/54/76/90/563547690.db2.gz FKBUBWVLRATALT-UHFFFAOYSA-N 0 0 329.812 4.100 50 0 EIAARN CCCCOc1ccc(C2N=NC(=S)N2Cc2ccccc2)cc1 ZINC000005737008 563548085 /nfs/dbraw/zinc/54/80/85/563548085.db2.gz MTIRRHNSBFLBAM-UHFFFAOYSA-N 0 0 339.464 4.461 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000005793789 563550426 /nfs/dbraw/zinc/55/04/26/563550426.db2.gz RUFWDWSOJLKNKQ-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN Cc1nnc([C@H](C)Nc2ccc(OCc3cccnc3)c(Cl)c2)o1 ZINC000071902460 563555139 /nfs/dbraw/zinc/55/51/39/563555139.db2.gz HLVZKENEYAESOF-NSHDSACASA-N 0 0 344.802 4.179 50 0 EIAARN CC[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccc(C)cc2)C1 ZINC000006119470 563558994 /nfs/dbraw/zinc/55/89/94/563558994.db2.gz QBNAEWMEEBSABJ-CYBMUJFWSA-N 0 0 328.481 4.084 50 0 EIAARN O=C1CN=C(c2ccc(Cl)cc2)c2c3c(sc2N1)CCCC3 ZINC000006557384 563572434 /nfs/dbraw/zinc/57/24/34/563572434.db2.gz BLMDEUNTBGRCKZ-UHFFFAOYSA-N 0 0 330.840 4.070 50 0 EIAARN CC(C)(NCc1ccc(F)c(Br)c1)c1nccs1 ZINC000071909499 563575222 /nfs/dbraw/zinc/57/52/22/563575222.db2.gz LCZKOYULKNDBJJ-UHFFFAOYSA-N 0 0 329.238 4.070 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2F)CC1 ZINC000006715795 563582359 /nfs/dbraw/zinc/58/23/59/563582359.db2.gz XIMFUFHPXRAVSG-UHFFFAOYSA-N 0 0 347.821 4.142 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(OC)c(OC)c1 ZINC000006726714 563583075 /nfs/dbraw/zinc/58/30/75/563583075.db2.gz DGHIVVQFOGZBRO-UHFFFAOYSA-N 0 0 336.775 4.010 50 0 EIAARN O=C(C1CC1)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000071911468 563585319 /nfs/dbraw/zinc/58/53/19/563585319.db2.gz BSTMQLWKTCCDHF-OAHLLOKOSA-N 0 0 349.356 4.169 50 0 EIAARN Cc1c(C)n(CC(C)C)c2ncn3nc(-c4cccs4)nc3c12 ZINC000006757885 563585707 /nfs/dbraw/zinc/58/57/07/563585707.db2.gz IDNCLWLYTJOGGV-UHFFFAOYSA-N 0 0 325.441 4.080 50 0 EIAARN CCN(C(=O)Nc1ccc(OC)c(F)c1)[C@@H](C)c1cccc(O)c1 ZINC000071911770 563586401 /nfs/dbraw/zinc/58/64/01/563586401.db2.gz JPMPDIXOBMHRIC-LBPRGKRZSA-N 0 0 332.375 4.155 50 0 EIAARN CCOc1ccc(NC(=O)c2cccnc2NC2CCCC2)cc1F ZINC000071911653 563588386 /nfs/dbraw/zinc/58/83/86/563588386.db2.gz UICNDZADBRSPOX-UHFFFAOYSA-N 0 0 343.402 4.226 50 0 EIAARN Cc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)c(C)c1 ZINC000006876592 563590124 /nfs/dbraw/zinc/59/01/24/563590124.db2.gz JZKLEQHCZDNPNN-UHFFFAOYSA-N 0 0 342.420 4.175 50 0 EIAARN Cn1c2ccccc2nc1SCC(=O)Nc1cccc2ccccc21 ZINC000007343467 563599708 /nfs/dbraw/zinc/59/97/08/563599708.db2.gz FDDUYPURTAZULR-UHFFFAOYSA-N 0 0 347.443 4.457 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 ZINC000002661829 563599727 /nfs/dbraw/zinc/59/97/27/563599727.db2.gz QYOWFXVBLDGRSI-UHFFFAOYSA-N 0 0 331.371 4.186 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1C)CC(=O)N2 ZINC000007342047 563599779 /nfs/dbraw/zinc/59/97/79/563599779.db2.gz PUPUXRNDOTWCNS-OAHLLOKOSA-N 0 0 325.408 4.267 50 0 EIAARN CC[C@H](C)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 ZINC000007342054 563599782 /nfs/dbraw/zinc/59/97/82/563599782.db2.gz FUKKJPDJIVPUIP-WFASDCNBSA-N 0 0 339.391 4.067 50 0 EIAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1csc(CC)c1 ZINC000002735878 563609784 /nfs/dbraw/zinc/60/97/84/563609784.db2.gz LGVPPWKTUVWPNG-UHFFFAOYSA-N 0 0 337.466 4.363 50 0 EIAARN CCc1c(C)scc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000002749612 563611975 /nfs/dbraw/zinc/61/19/75/563611975.db2.gz GXQPQJQRVLQRSB-UHFFFAOYSA-N 0 0 329.450 4.390 50 0 EIAARN O=C(Nc1c(F)cccc1F)c1cccc(Oc2nccs2)c1 ZINC000071914718 563614192 /nfs/dbraw/zinc/61/41/92/563614192.db2.gz BLFIFZZCDBTOSV-UHFFFAOYSA-N 0 0 332.331 4.466 50 0 EIAARN COc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F ZINC000002796946 563616825 /nfs/dbraw/zinc/61/68/25/563616825.db2.gz XVIHHWQIIOEYQT-UHFFFAOYSA-N 0 0 327.714 4.202 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000007983054 563618603 /nfs/dbraw/zinc/61/86/03/563618603.db2.gz DGBJULKBOJLXED-UHFFFAOYSA-N 0 0 340.423 4.094 50 0 EIAARN Cc1ccc(C)c(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 ZINC000003015076 563627893 /nfs/dbraw/zinc/62/78/93/563627893.db2.gz NDJYXCSCPXKVBE-BOPFTXTBSA-N 0 0 338.432 4.409 50 0 EIAARN N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 ZINC000008517601 563631573 /nfs/dbraw/zinc/63/15/73/563631573.db2.gz ZDZBVNSIGYFVID-OAHLLOKOSA-N 0 0 345.855 4.258 50 0 EIAARN Cc1ccc(CCNc2ncnc3onc(-c4ccc(F)cc4)c32)cc1 ZINC000008595205 563633202 /nfs/dbraw/zinc/63/32/02/563633202.db2.gz BAJVNGRDFBRYSV-UHFFFAOYSA-N 0 0 348.381 4.387 50 0 EIAARN Fc1ccccc1NC(=S)Nc1ccc(Br)cc1 ZINC000008682445 563634940 /nfs/dbraw/zinc/63/49/40/563634940.db2.gz OTFSLGRMDQRXQJ-UHFFFAOYSA-N 0 0 325.206 4.397 50 0 EIAARN Cc1cc2nnc(SCc3nccn3C(F)F)n2c2ccccc12 ZINC000008746344 563639259 /nfs/dbraw/zinc/63/92/59/563639259.db2.gz NGVJBVGSFDTZSN-UHFFFAOYSA-N 0 0 345.378 4.075 50 0 EIAARN Cc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000012629649 563666084 /nfs/dbraw/zinc/66/60/84/563666084.db2.gz LAAJXTOEXHXNLW-MRXNPFEDSA-N 0 0 338.451 4.082 50 0 EIAARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H]3CCCC3=O)n2n1 ZINC000012629026 563666164 /nfs/dbraw/zinc/66/61/64/563666164.db2.gz TWSJWSLDHPNTON-INIZCTEOSA-N 0 0 337.448 4.227 50 0 EIAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3cccc4cccnc43)oc2c1 ZINC000032623221 563669801 /nfs/dbraw/zinc/66/98/01/563669801.db2.gz SVYCKQJRSOHTSM-UHFFFAOYSA-N 0 0 344.370 4.210 50 0 EIAARN CCCC(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 ZINC000032622977 563669884 /nfs/dbraw/zinc/66/98/84/563669884.db2.gz ZIRNGHZGYFKPML-UHFFFAOYSA-N 0 0 337.379 4.151 50 0 EIAARN COc1ccc2oc(C(=O)Nc3ccnn3C3CCCC3)c(C)c2c1 ZINC000012789662 563671171 /nfs/dbraw/zinc/67/11/71/563671171.db2.gz LTLJTLMTFOWIKM-UHFFFAOYSA-N 0 0 339.395 4.314 50 0 EIAARN CC(C)[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000012797701 563672992 /nfs/dbraw/zinc/67/29/92/563672992.db2.gz UYKZENZPHNDGRF-YWZLYKJASA-N 0 0 342.508 4.181 50 0 EIAARN O=C(c1cc(-c2ccccc2Cl)on1)N1CCc2ccccc2C1 ZINC000012846439 563675521 /nfs/dbraw/zinc/67/55/21/563675521.db2.gz IKFSAGKCOXWDLJ-UHFFFAOYSA-N 0 0 338.794 4.194 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2oc(=O)ccc2c1 ZINC000012894375 563676320 /nfs/dbraw/zinc/67/63/20/563676320.db2.gz GEEBZAOSSLSEAA-UHFFFAOYSA-N 0 0 346.386 4.236 50 0 biogenic EIAARN Cc1ccc(C(=O)NCCc2c(C)[nH]c3c2cc(F)cc3F)s1 ZINC000032648400 563676471 /nfs/dbraw/zinc/67/64/71/563676471.db2.gz JKYRZCKHAKXAEW-UHFFFAOYSA-N 0 0 334.391 4.097 50 0 EIAARN Cc1nc(C)c(C(=O)OCc2csc(-c3cccs3)n2)s1 ZINC000032671816 563676850 /nfs/dbraw/zinc/67/68/50/563676850.db2.gz CBMBQGGYGNXCAF-UHFFFAOYSA-N 0 0 336.463 4.302 50 0 EIAARN CN(Cc1ccsc1)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000012971649 563679213 /nfs/dbraw/zinc/67/92/13/563679213.db2.gz IBRUMDBZNBVLAG-AWEZNQCLSA-N 0 0 336.457 4.266 50 0 EIAARN CCOc1cc2c(cc1NC(=O)CSc1ccccc1)O[C@H](C)C2 ZINC000012972782 563679663 /nfs/dbraw/zinc/67/96/63/563679663.db2.gz GPKWXPFVAHWBGN-CYBMUJFWSA-N 0 0 343.448 4.140 50 0 EIAARN CC[C@H]1c2ccsc2CCN1CC(=O)NCc1cccc(Cl)c1 ZINC000012976816 563680502 /nfs/dbraw/zinc/68/05/02/563680502.db2.gz GDBJFRWLLMHENK-INIZCTEOSA-N 0 0 348.899 4.027 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cccc(Cl)c1)O[C@H](C)C2 ZINC000012975608 563680533 /nfs/dbraw/zinc/68/05/33/563680533.db2.gz RUSCSBGRQSRWBP-LLVKDONJSA-N 0 0 331.799 4.314 50 0 EIAARN CCc1ccc(C2=Nn3c(nnc3-c3cccs3)S[C@H]2C)cc1 ZINC000032682299 563682257 /nfs/dbraw/zinc/68/22/57/563682257.db2.gz RNZORJPKZSKONI-NSHDSACASA-N 0 0 340.477 4.316 50 0 EIAARN COC(=O)c1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 ZINC000012993440 563683032 /nfs/dbraw/zinc/68/30/32/563683032.db2.gz JRWOJWRMTNRIGR-CYBMUJFWSA-N 0 0 341.432 4.004 50 0 EIAARN Cc1cccc(C)c1NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000012999137 563684551 /nfs/dbraw/zinc/68/45/51/563684551.db2.gz BERAWIPNRQDTDY-CYBMUJFWSA-N 0 0 341.382 4.150 50 0 EIAARN CSc1nc(C)c(CC(=O)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000013003074 563684705 /nfs/dbraw/zinc/68/47/05/563684705.db2.gz WZQPYFBVWPRJRW-UHFFFAOYSA-N 0 0 346.399 4.373 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc3c2CCC[C@H]3O)cc1Cl ZINC000032691445 563685409 /nfs/dbraw/zinc/68/54/09/563685409.db2.gz GKMFGMVBHMFTIN-QGZVFWFLSA-N 0 0 345.826 4.036 50 0 EIAARN Cn1c(=S)n(CN2CCCCCC2)nc1-c1ccc(Cl)cc1 ZINC000013074062 563687374 /nfs/dbraw/zinc/68/73/74/563687374.db2.gz BFCAJYARIJDNLA-UHFFFAOYSA-N 0 0 336.892 4.105 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)[nH]n2)cc1C ZINC000013125564 563689650 /nfs/dbraw/zinc/68/96/50/563689650.db2.gz DQERMNQSYYJNEK-UHFFFAOYSA-N 0 0 335.407 4.268 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2csc3c2CC[C@H](C)C3)c1 ZINC000013326798 563695228 /nfs/dbraw/zinc/69/52/28/563695228.db2.gz OKEXRRVPSOXDEP-NSHDSACASA-N 0 0 328.437 4.084 50 0 EIAARN COc1cc(NC(=O)c2csc3ccccc23)cc(OC)c1OC ZINC000013326319 563695299 /nfs/dbraw/zinc/69/52/99/563695299.db2.gz UVIZPFVLLBMUJX-UHFFFAOYSA-N 0 0 343.404 4.179 50 0 EIAARN CC(=O)c1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1 ZINC000013519143 563700304 /nfs/dbraw/zinc/70/03/04/563700304.db2.gz YFCGOUMIPGYWDE-CQSZACIVSA-N 0 0 326.465 4.197 50 0 EIAARN CCOC(=O)c1noc(C)c1CSc1nc2ccccc2s1 ZINC000013641026 563705932 /nfs/dbraw/zinc/70/59/32/563705932.db2.gz RUHCMFZSZPREGQ-UHFFFAOYSA-N 0 0 334.422 4.062 50 0 EIAARN COc1cccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)c1 ZINC000013729354 563719483 /nfs/dbraw/zinc/71/94/83/563719483.db2.gz WBWPDACFEAOGBZ-UHFFFAOYSA-N 0 0 349.415 4.348 50 0 EIAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1cccnc1 ZINC000013732670 563719495 /nfs/dbraw/zinc/71/94/95/563719495.db2.gz FIVCMMHSEUPFPJ-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000032753145 563726848 /nfs/dbraw/zinc/72/68/48/563726848.db2.gz UYDCIJVIUGIIOT-UHFFFAOYSA-N 0 0 340.398 4.286 50 0 EIAARN O=C(Nc1ccccc1O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000032753450 563727287 /nfs/dbraw/zinc/72/72/87/563727287.db2.gz STODNRLLAYTNRA-UHFFFAOYSA-N 0 0 335.334 4.015 50 0 EIAARN O=C(N[C@@H]1CCc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032769196 563729893 /nfs/dbraw/zinc/72/98/93/563729893.db2.gz JAKQIMWXOKKSEO-HXUWFJFHSA-N 0 0 343.430 4.167 50 0 EIAARN C[C@@H](NC(=O)c1occc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000032784668 563733510 /nfs/dbraw/zinc/73/35/10/563733510.db2.gz WDUYYIOBOVFEBT-CQSZACIVSA-N 0 0 349.386 4.209 50 0 EIAARN Cc1cc(S[C@@H](C)C(=O)Nc2ccccc2F)nc(C(C)C)n1 ZINC000013987934 563734540 /nfs/dbraw/zinc/73/45/40/563734540.db2.gz QMQXBONFMIVOGQ-LBPRGKRZSA-N 0 0 333.432 4.167 50 0 EIAARN Cc1cnc(NC(=O)c2c(C)oc3c2c(F)c(F)c(F)c3F)s1 ZINC000014015651 563735788 /nfs/dbraw/zinc/73/57/88/563735788.db2.gz PVWYNCYMMZQPCV-UHFFFAOYSA-N 0 0 344.289 4.315 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1cccs1 ZINC000014069334 563737790 /nfs/dbraw/zinc/73/77/90/563737790.db2.gz HZOZWFGOTOTLBH-LLVKDONJSA-N 0 0 345.855 4.387 50 0 EIAARN COc1ccc(CCC(=O)NC2CCC(c3ccccc3)CC2)cc1 ZINC000032797002 563738089 /nfs/dbraw/zinc/73/80/89/563738089.db2.gz WCQXQQJPGCKEQR-UHFFFAOYSA-N 0 0 337.463 4.470 50 0 EIAARN C[C@H](Sc1ncn(-c2ccccc2)n1)c1nnc(-c2ccccc2)o1 ZINC000014086339 563738752 /nfs/dbraw/zinc/73/87/52/563738752.db2.gz WSPLWCKNWLBPSI-ZDUSSCGKSA-N 0 0 349.419 4.171 50 0 EIAARN c1c[nH]c(-c2nnc(SCc3cc(-c4cccs4)on3)o2)c1 ZINC000014094554 563740169 /nfs/dbraw/zinc/74/01/69/563740169.db2.gz XOHAASWGQXMCLK-UHFFFAOYSA-N 0 0 330.394 4.074 50 0 EIAARN CC(C)(C)C(=O)N1CCC[C@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135659 563745654 /nfs/dbraw/zinc/74/56/54/563745654.db2.gz FSAWLJRWGMHPCC-HNNXBMFYSA-N 0 0 341.430 4.035 50 0 EIAARN O=C(CSc1nc2ccccc2o1)N1CCC[C@@H]1c1cccs1 ZINC000014171924 563747149 /nfs/dbraw/zinc/74/71/49/563747149.db2.gz ZJTOJALFMXCRQA-CYBMUJFWSA-N 0 0 344.461 4.345 50 0 EIAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccco1 ZINC000014202330 563750911 /nfs/dbraw/zinc/75/09/11/563750911.db2.gz WBSRVWMKZXDLBF-UHFFFAOYSA-N 0 0 336.178 4.084 50 0 EIAARN Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cn1 ZINC000014227463 563752432 /nfs/dbraw/zinc/75/24/32/563752432.db2.gz DTDZVLQPBJOTFB-UHFFFAOYSA-N 0 0 349.415 4.190 50 0 EIAARN Cc1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000014227098 563752493 /nfs/dbraw/zinc/75/24/93/563752493.db2.gz UKEVYWZXESQHLG-UHFFFAOYSA-N 0 0 326.396 4.439 50 0 EIAARN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000014232192 563753108 /nfs/dbraw/zinc/75/31/08/563753108.db2.gz FHTBPIRYELFIKE-UHFFFAOYSA-N 0 0 343.492 4.335 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000014244064 563754335 /nfs/dbraw/zinc/75/43/35/563754335.db2.gz WDTZGLSLDUFCPV-WDEREUQCSA-N 0 0 339.769 4.263 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1C ZINC000014246162 563755044 /nfs/dbraw/zinc/75/50/44/563755044.db2.gz KPEPIKOSFKXYAV-CYBMUJFWSA-N 0 0 338.451 4.204 50 0 EIAARN FC(F)(F)c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc1 ZINC000014307336 563758032 /nfs/dbraw/zinc/75/80/32/563758032.db2.gz XBRBYFJNVRVASY-UHFFFAOYSA-N 0 0 346.356 4.361 50 0 EIAARN Cc1cc(SCC(=O)N(C)C2CCCCC2)nc2ccccc12 ZINC000014361510 563758443 /nfs/dbraw/zinc/75/84/43/563758443.db2.gz CYEUWDPMOBVNTQ-UHFFFAOYSA-N 0 0 328.481 4.426 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc2cccnc21 ZINC000014517715 563760090 /nfs/dbraw/zinc/76/00/90/563760090.db2.gz RFHJDCZCJSFTQZ-UHFFFAOYSA-N 0 0 330.309 4.435 50 0 EIAARN CC(=O)Nc1cccc(C(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000032848535 563762247 /nfs/dbraw/zinc/76/22/47/563762247.db2.gz XWZOZNLUMUMKJD-ZDUSSCGKSA-N 0 0 340.448 4.176 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3cccc(C)n3)cc12 ZINC000014683639 563763115 /nfs/dbraw/zinc/76/31/15/563763115.db2.gz NCFQGOOWIDHXGF-UHFFFAOYSA-N 0 0 328.441 4.018 50 0 EIAARN C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccc(F)cc1F ZINC000032863066 563765239 /nfs/dbraw/zinc/76/52/39/563765239.db2.gz UQLJFKSVNFSFBU-AOOOYVTPSA-N 0 0 340.320 4.364 50 0 EIAARN Cc1nn(C)c(C)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032862225 563765280 /nfs/dbraw/zinc/76/52/80/563765280.db2.gz GROMLPAHAKLVHF-UHFFFAOYSA-N 0 0 345.446 4.179 50 0 EIAARN CCCC(=O)Nc1ccc(C(=O)c2cc3c(cccc3OC)o2)cc1 ZINC000032869617 563766776 /nfs/dbraw/zinc/76/67/76/563766776.db2.gz QWAURWRQIQQVQZ-UHFFFAOYSA-N 0 0 337.375 4.411 50 0 EIAARN FC(F)(F)c1ccccc1CCNc1nncc(-c2ccccc2)n1 ZINC000014966657 563769109 /nfs/dbraw/zinc/76/91/09/563769109.db2.gz WMFFHRKEOYNVJV-UHFFFAOYSA-N 0 0 344.340 4.212 50 0 EIAARN CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O ZINC000015010563 563771425 /nfs/dbraw/zinc/77/14/25/563771425.db2.gz ZIAKJPQMCXDKBB-ATVHPVEESA-N 0 0 339.416 4.322 50 0 EIAARN O=C1S/C(=C\c2ccccc2O)C(=O)N1Cc1ccc(Cl)cc1 ZINC000015009886 563771473 /nfs/dbraw/zinc/77/14/73/563771473.db2.gz GTIAPWOLZZBYHE-DHDCSXOGSA-N 0 0 345.807 4.282 50 0 EIAARN CCOc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000015017127 563772996 /nfs/dbraw/zinc/77/29/96/563772996.db2.gz FDSGNWGDOUSHEL-OAHLLOKOSA-N 0 0 346.224 4.126 50 0 EIAARN C[C@H]1CCc2c(sc3c2[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 ZINC000015085212 563777611 /nfs/dbraw/zinc/77/76/11/563777611.db2.gz UJBJCNMGWPCYBR-GXFFZTMASA-N 0 0 341.432 4.076 50 0 EIAARN O=C(CCc1ccco1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000015326811 563783152 /nfs/dbraw/zinc/78/31/52/563783152.db2.gz VGMYCPPFMDGFQK-UHFFFAOYSA-N 0 0 332.831 4.495 50 0 EIAARN C[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000015340109 563783157 /nfs/dbraw/zinc/78/31/57/563783157.db2.gz XFMAMRAFJOLZCA-MRXNPFEDSA-N 0 0 329.399 4.409 50 0 EIAARN O=C(OC[C@H]1CC1(Cl)Cl)c1ccc(-c2ccc(O)cc2)cc1 ZINC000015354752 563783540 /nfs/dbraw/zinc/78/35/40/563783540.db2.gz SBXBSGYFNHQABJ-CQSZACIVSA-N 0 0 337.202 4.410 50 0 EIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2F)c1 ZINC000046184437 563786867 /nfs/dbraw/zinc/78/68/67/563786867.db2.gz ZBULMZXEBIURRY-UHFFFAOYSA-N 0 0 334.778 4.009 50 0 EIAARN Fc1ccc([C@H]2CCCN2Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000032901234 563786908 /nfs/dbraw/zinc/78/69/08/563786908.db2.gz NVMVQEMDRCLTOM-QGZVFWFLSA-N 0 0 329.806 4.464 50 0 EIAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000032901838 563788442 /nfs/dbraw/zinc/78/84/42/563788442.db2.gz XFHZWONWXCMQNU-UHFFFAOYSA-N 0 0 343.770 4.138 50 0 EIAARN CCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 ZINC000015670742 563790324 /nfs/dbraw/zinc/79/03/24/563790324.db2.gz MNYVFTAFBNHXNR-UHFFFAOYSA-N 0 0 337.379 4.004 50 0 EIAARN CN(C(=O)CSc1ccc(F)cc1F)[C@@H]1CCc2ccccc21 ZINC000032905660 563791804 /nfs/dbraw/zinc/79/18/04/563791804.db2.gz ARHMMHISSGQFGN-MRXNPFEDSA-N 0 0 333.403 4.203 50 0 EIAARN Cc1cc(Nc2cccc3c2CCCC3)n2nc(-c3ccco3)nc2n1 ZINC000015780388 563792258 /nfs/dbraw/zinc/79/22/58/563792258.db2.gz NSTFHXRRMWCDKU-UHFFFAOYSA-N 0 0 345.406 4.315 50 0 EIAARN O=C(c1cc2ccccc2o1)N(Cc1ccco1)Cc1cccnc1 ZINC000032906964 563792627 /nfs/dbraw/zinc/79/26/27/563792627.db2.gz GLNOMGYNTMWHSP-UHFFFAOYSA-N 0 0 332.359 4.263 50 0 EIAARN CCOc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)cc1 ZINC000015839714 563795115 /nfs/dbraw/zinc/79/51/15/563795115.db2.gz VKLHODRFOSENSM-NRFANRHFSA-N 0 0 346.430 4.308 50 0 EIAARN O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1cccs1 ZINC000015839916 563795143 /nfs/dbraw/zinc/79/51/43/563795143.db2.gz PDKCRTQNHQPXCA-MRXNPFEDSA-N 0 0 328.824 4.316 50 0 EIAARN Cc1ccc([C@@H](NC(=O)Cc2ccccc2C)c2cccnc2)cc1C ZINC000015839805 563795154 /nfs/dbraw/zinc/79/51/54/563795154.db2.gz SROOZJZDJWVJKO-HSZRJFAPSA-N 0 0 344.458 4.455 50 0 EIAARN C[C@@H](OCCCNC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000032907561 563799369 /nfs/dbraw/zinc/79/93/69/563799369.db2.gz FCAMDJUNKVSPJT-CYBMUJFWSA-N 0 0 335.806 4.377 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1SCC(F)(F)F ZINC000032907862 563800132 /nfs/dbraw/zinc/80/01/32/563800132.db2.gz ABPZNVXLNUGNID-JQWIXIFHSA-N 0 0 332.391 4.045 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000032909649 563802339 /nfs/dbraw/zinc/80/23/39/563802339.db2.gz QGEBDOBRQVRBTL-UHFFFAOYSA-N 0 0 346.390 4.286 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)CCc3c[nH]c4ccccc34)cnc21 ZINC000016106533 563803987 /nfs/dbraw/zinc/80/39/87/563803987.db2.gz AGGHMGRHPSUGNE-UHFFFAOYSA-N 0 0 347.422 4.065 50 0 EIAARN CCc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 ZINC000016161726 563805167 /nfs/dbraw/zinc/80/51/67/563805167.db2.gz ZUUVJORSCAWFTQ-UHFFFAOYSA-N 0 0 335.407 4.260 50 0 EIAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cn[nH]c3)o2)cc1 ZINC000032913244 563805579 /nfs/dbraw/zinc/80/55/79/563805579.db2.gz IZVGEBWXEZWGOK-UHFFFAOYSA-N 0 0 344.374 4.292 50 0 EIAARN COc1cc([C@@H](C)NC(=O)CC(C)(C)C)ccc1OCC(F)(F)F ZINC000032914576 563811327 /nfs/dbraw/zinc/81/13/27/563811327.db2.gz DIUZCGUVWAIARX-LLVKDONJSA-N 0 0 347.377 4.250 50 0 EIAARN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc2ncccc21 ZINC000016469763 563812463 /nfs/dbraw/zinc/81/24/63/563812463.db2.gz KUOFYSSPGBRTLO-UHFFFAOYSA-N 0 0 330.309 4.435 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)nc1 ZINC000016605504 563817014 /nfs/dbraw/zinc/81/70/14/563817014.db2.gz ORDUBTFRJHUXLP-JTQLQIEISA-N 0 0 325.195 4.103 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)cc2C)c1C ZINC000016606214 563817380 /nfs/dbraw/zinc/81/73/80/563817380.db2.gz BCKAHCIWJMGQPZ-UHFFFAOYSA-N 0 0 348.450 4.316 50 0 EIAARN O=C(Nc1nccs1)c1ccccc1OCc1ccc(F)cc1 ZINC000016641247 563818560 /nfs/dbraw/zinc/81/85/60/563818560.db2.gz WLUSPDKBRQKQTR-UHFFFAOYSA-N 0 0 328.368 4.114 50 0 EIAARN Cc1nn(CCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C ZINC000016648819 563818909 /nfs/dbraw/zinc/81/89/09/563818909.db2.gz WGFKRCJSWIJAPK-UHFFFAOYSA-N 0 0 326.227 4.144 50 0 EIAARN O=C(NCc1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000016694919 563821076 /nfs/dbraw/zinc/82/10/76/563821076.db2.gz UWNYWHPGQSDMEF-UHFFFAOYSA-N 0 0 341.414 4.011 50 0 EIAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000016751652 563822619 /nfs/dbraw/zinc/82/26/19/563822619.db2.gz BVJCOIDZWPPSPM-LJQANCHMSA-N 0 0 347.414 4.447 50 0 EIAARN CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1[C@@H](C)CC ZINC000016780676 563824121 /nfs/dbraw/zinc/82/41/21/563824121.db2.gz JHEKHPCTJCYHGZ-AWEZNQCLSA-N 0 0 339.501 4.210 50 0 EIAARN CCOc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl ZINC000016780644 563824152 /nfs/dbraw/zinc/82/41/52/563824152.db2.gz CHPJRJYNDLPITF-UHFFFAOYSA-N 0 0 339.844 4.156 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000016806667 563824502 /nfs/dbraw/zinc/82/45/02/563824502.db2.gz LRDZQTOVHIAXPS-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1Cl ZINC000017064563 563830624 /nfs/dbraw/zinc/83/06/24/563830624.db2.gz ZFUCGDOMEZYCDT-UHFFFAOYSA-N 0 0 331.696 4.428 50 0 EIAARN COc1ccc(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000017068733 563832762 /nfs/dbraw/zinc/83/27/62/563832762.db2.gz IHEOZOOQWRBPOZ-UHFFFAOYSA-N 0 0 334.297 4.355 50 0 EIAARN Cc1cc(O)ccc1NC(=S)Nc1ccc(Br)cc1 ZINC000017070831 563833451 /nfs/dbraw/zinc/83/34/51/563833451.db2.gz OJVCSAHCJUKYQV-UHFFFAOYSA-N 0 0 337.242 4.272 50 0 EIAARN CCc1ccccc1NC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000017071786 563834926 /nfs/dbraw/zinc/83/49/26/563834926.db2.gz HSEPYCJHOFZOCM-UHFFFAOYSA-N 0 0 343.858 4.257 50 0 EIAARN CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000032927436 563836470 /nfs/dbraw/zinc/83/64/70/563836470.db2.gz LVQZEAAPFGYURU-MRXNPFEDSA-N 0 0 347.480 4.084 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(F)cc2)cc1C ZINC000017120451 563837267 /nfs/dbraw/zinc/83/72/67/563837267.db2.gz WLJIQQWSNWRDQG-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN CCc1cccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1 ZINC000017193724 563839742 /nfs/dbraw/zinc/83/97/42/563839742.db2.gz UYYBYVYITQZGSF-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN Cc1ccc(CC(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 ZINC000032930553 563841347 /nfs/dbraw/zinc/84/13/47/563841347.db2.gz YSBQRZSZJVSPJD-UHFFFAOYSA-N 0 0 332.403 4.041 50 0 EIAARN O=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1Cl ZINC000032930625 563841361 /nfs/dbraw/zinc/84/13/61/563841361.db2.gz BSVRVHWKNJCUFF-UHFFFAOYSA-N 0 0 348.683 4.068 50 0 EIAARN Cc1ccccc1C(=O)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000000514231 563845217 /nfs/dbraw/zinc/84/52/17/563845217.db2.gz BXRUXPIAMVIOAA-UHFFFAOYSA-N 0 0 338.366 4.245 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nc3cccnc3[nH]2)cc1 ZINC000018188966 563850615 /nfs/dbraw/zinc/85/06/15/563850615.db2.gz KKKPEDNKFYNOQP-GFCCVEGCSA-N 0 0 340.452 4.202 50 0 EIAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000018241249 563851651 /nfs/dbraw/zinc/85/16/51/563851651.db2.gz FASWWPQUJBMJRU-CDHQVMDDSA-N 0 0 349.430 4.191 50 0 EIAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000018247380 563851658 /nfs/dbraw/zinc/85/16/58/563851658.db2.gz KMLOBSGHLLHBMB-AOOOYVTPSA-N 0 0 331.721 4.038 50 0 EIAARN Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c1 ZINC000019923732 563856903 /nfs/dbraw/zinc/85/69/03/563856903.db2.gz AXRVWHDOPGHHDS-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN COc1cccc(NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000069873215 563862603 /nfs/dbraw/zinc/86/26/03/563862603.db2.gz OJEDKSQJZLSSOL-UHFFFAOYSA-N 0 0 339.439 4.112 50 0 EIAARN Cc1ccc(C)c(Nc2nc(N)c(C(=O)c3ccc(F)cc3)s2)c1 ZINC000032948127 563864938 /nfs/dbraw/zinc/86/49/38/563864938.db2.gz XXIFZIFKOCSINR-UHFFFAOYSA-N 0 0 341.411 4.456 50 0 EIAARN CCOC(=O)c1ccc(NCc2ccc3cc(OC)ccc3c2)nc1 ZINC000024055777 563868695 /nfs/dbraw/zinc/86/86/95/563868695.db2.gz HIOLGXNLSDIJET-UHFFFAOYSA-N 0 0 336.391 4.032 50 0 EIAARN CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(F)cc2F)cc1 ZINC000024048228 563868813 /nfs/dbraw/zinc/86/88/13/563868813.db2.gz AKHGCVTVILQYTH-UHFFFAOYSA-N 0 0 347.361 4.211 50 0 EIAARN CCCOc1ccccc1NC(=O)N(C)Cc1ccccc1OC ZINC000043452303 563872824 /nfs/dbraw/zinc/87/28/24/563872824.db2.gz CDRKUYWSPVDAOD-UHFFFAOYSA-N 0 0 328.412 4.148 50 0 EIAARN O=C(CCc1cccs1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024693398 563874008 /nfs/dbraw/zinc/87/40/08/563874008.db2.gz DZAIMFRZPIHPTE-CQSZACIVSA-N 0 0 340.448 4.228 50 0 EIAARN O=C(Nc1cccc(Cl)c1F)c1cccnc1OCC(F)(F)F ZINC000024674799 563874211 /nfs/dbraw/zinc/87/42/11/563874211.db2.gz ABXHLJKLBFWZQW-UHFFFAOYSA-N 0 0 348.683 4.068 50 0 EIAARN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000024829123 563876272 /nfs/dbraw/zinc/87/62/72/563876272.db2.gz WXJHRIDRRKUYAX-KRWDZBQOSA-N 0 0 348.368 4.309 50 0 EIAARN NC(=O)c1ccccc1OCc1csc(-c2ccccc2Cl)n1 ZINC000024950976 563877950 /nfs/dbraw/zinc/87/79/50/563877950.db2.gz ULQSKGPILFDHHG-UHFFFAOYSA-N 0 0 344.823 4.141 50 0 EIAARN CC(C)c1noc2ncc(C(=O)NCC3(c4ccccc4)CCC3)cc21 ZINC000024962502 563878144 /nfs/dbraw/zinc/87/81/44/563878144.db2.gz MHXYNYXDSGZECI-UHFFFAOYSA-N 0 0 349.434 4.198 50 0 EIAARN C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(F)cc1F ZINC000024964523 563878195 /nfs/dbraw/zinc/87/81/95/563878195.db2.gz YBXHDWZIQYAUOB-SNVBAGLBSA-N 0 0 335.379 4.269 50 0 EIAARN O=C(Nc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000024986496 563879147 /nfs/dbraw/zinc/87/91/47/563879147.db2.gz RHLYDWRSGAEYAQ-UHFFFAOYSA-N 0 0 340.386 4.187 50 0 EIAARN S=c1scnn1CN1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024988820 563879207 /nfs/dbraw/zinc/87/92/07/563879207.db2.gz NKWNJGRDKCKBER-GFCCVEGCSA-N 0 0 348.522 4.468 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)NCCc3ccccc3)ccc2c1 ZINC000024992933 563879414 /nfs/dbraw/zinc/87/94/14/563879414.db2.gz UUPVKJSSLDXBKW-MRXNPFEDSA-N 0 0 333.431 4.311 50 0 EIAARN O=C(Nc1ccccc1-c1cccs1)[C@H]1CC(=O)Nc2ccccc21 ZINC000025002301 563879656 /nfs/dbraw/zinc/87/96/56/563879656.db2.gz AAAFCGNWJFDCRS-HNNXBMFYSA-N 0 0 348.427 4.480 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCCO2)C1(c2cccc(F)c2)CCC1 ZINC000025031449 563879903 /nfs/dbraw/zinc/87/99/03/563879903.db2.gz NWCCJDWXDPSZTN-UHFFFAOYSA-N 0 0 341.382 4.047 50 0 EIAARN CC(C)Cc1noc(CSc2nnc(Nc3ccccc3)s2)n1 ZINC000025045851 563880309 /nfs/dbraw/zinc/88/03/09/563880309.db2.gz FUGJJGQZUGWKII-UHFFFAOYSA-N 0 0 347.469 4.156 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000025091014 563880884 /nfs/dbraw/zinc/88/08/84/563880884.db2.gz RZXXZEQRTVYVKJ-GFCCVEGCSA-N 0 0 337.810 4.322 50 0 EIAARN COCc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000025305287 563883029 /nfs/dbraw/zinc/88/30/29/563883029.db2.gz MMQGBXWKDPUZCB-UHFFFAOYSA-N 0 0 342.197 4.209 50 0 EIAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccnc(Cl)c2)cc1 ZINC000025386564 563884328 /nfs/dbraw/zinc/88/43/28/563884328.db2.gz IXXAZDDZGOKVFX-INIZCTEOSA-N 0 0 330.815 4.111 50 0 EIAARN Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000025470229 563885130 /nfs/dbraw/zinc/88/51/30/563885130.db2.gz NBAYLJLPBUZJKW-LBPRGKRZSA-N 0 0 336.435 4.070 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccc(Cl)s1 ZINC000025520678 563885385 /nfs/dbraw/zinc/88/53/85/563885385.db2.gz FBEIGDLBXHEDML-UHFFFAOYSA-N 0 0 346.283 4.146 50 0 EIAARN O=C(Cc1csc(-c2ccco2)n1)N1CCC[C@H]2CCCC[C@H]21 ZINC000025530105 563885763 /nfs/dbraw/zinc/88/57/63/563885763.db2.gz WLTGVPPFUWPJRC-UKRRQHHQSA-N 0 0 330.453 4.127 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)cn1)c1cccc(Cl)c1Cl ZINC000025661684 563887074 /nfs/dbraw/zinc/88/70/74/563887074.db2.gz JBOBXFCJIMPVPS-UHFFFAOYSA-N 0 0 336.222 4.241 50 0 EIAARN CCN(CCCNc1cc(C)nc(-c2ccncc2)n1)c1ccccc1 ZINC000060217895 563888012 /nfs/dbraw/zinc/88/80/12/563888012.db2.gz ILLFQUDKADTMEG-UHFFFAOYSA-N 0 0 347.466 4.176 50 0 EIAARN CCN(Cc1cccs1)C(=O)c1cc(-c2ccc(C)cc2)n[nH]1 ZINC000025760862 563888058 /nfs/dbraw/zinc/88/80/58/563888058.db2.gz YFYNQYLFYDBOAO-UHFFFAOYSA-N 0 0 325.437 4.109 50 0 EIAARN O=C(OCc1nc2ccccc2s1)c1ccc(C(F)(F)F)nc1 ZINC000025899831 563889000 /nfs/dbraw/zinc/88/90/00/563889000.db2.gz VPYFXQPLUPGJMD-UHFFFAOYSA-N 0 0 338.310 4.067 50 0 EIAARN Clc1cc(CSc2ncc3ccccn32)cc2c1OCCCO2 ZINC000026560691 563892158 /nfs/dbraw/zinc/89/21/58/563892158.db2.gz XHHGCXGZBHJINC-UHFFFAOYSA-N 0 0 346.839 4.441 50 0 EIAARN Cc1ccc(C)c([C@@H](C)Nc2cc(C)nc3nc(C(F)(F)F)nn32)c1 ZINC000026703492 563892760 /nfs/dbraw/zinc/89/27/60/563892760.db2.gz FHRSNVAIRAKCJP-GFCCVEGCSA-N 0 0 349.360 4.241 50 0 EIAARN Nc1c(C(=O)Nc2ccccc2)sc(=S)n1Cc1ccccc1 ZINC000032952209 563893435 /nfs/dbraw/zinc/89/34/35/563893435.db2.gz AHSWWJMRJVOQCM-UHFFFAOYSA-N 0 0 341.461 4.162 50 0 EIAARN CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccccc2)C(C)C)n1 ZINC000027632006 563897948 /nfs/dbraw/zinc/89/79/48/563897948.db2.gz OSUASSCYIMYOTF-CYBMUJFWSA-N 0 0 349.887 4.022 50 0 EIAARN O=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1N1CCCC1 ZINC000028008960 563901103 /nfs/dbraw/zinc/90/11/03/563901103.db2.gz JZZGIRVJYLZGNV-VAWYXSNFSA-N 0 0 333.391 4.080 50 0 EIAARN Cc1nc2ccccc2nc1S[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000028192449 563901517 /nfs/dbraw/zinc/90/15/17/563901517.db2.gz QFIXIPNCLWDHFG-NSHDSACASA-N 0 0 328.441 4.472 50 0 EIAARN CCc1ccccc1NC(=O)c1nc2ccccc2nc1N1CCCC1 ZINC000032958065 563901738 /nfs/dbraw/zinc/90/17/38/563901738.db2.gz SNWUSBXUIAXXNJ-UHFFFAOYSA-N 0 0 346.434 4.045 50 0 EIAARN COc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000028231828 563901893 /nfs/dbraw/zinc/90/18/93/563901893.db2.gz AZQUHZQUJVJLCN-UHFFFAOYSA-N 0 0 327.405 4.192 50 0 EIAARN CCOc1c(Cl)cc(C(=O)NCc2csc(C)n2)cc1Cl ZINC000028251503 563901909 /nfs/dbraw/zinc/90/19/09/563901909.db2.gz BYTDWVDENKMHAU-UHFFFAOYSA-N 0 0 345.251 4.087 50 0 EIAARN CCCOc1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1 ZINC000028292230 563902316 /nfs/dbraw/zinc/90/23/16/563902316.db2.gz QKHVBMIXBBISLI-UHFFFAOYSA-N 0 0 349.434 4.281 50 0 EIAARN C[C@H](Nc1nc2ccccc2s1)C(=O)NCCC1=CCCCC1 ZINC000028437834 563902913 /nfs/dbraw/zinc/90/29/13/563902913.db2.gz LATNFCAYPCNABE-ZDUSSCGKSA-N 0 0 329.469 4.103 50 0 EIAARN C[C@H](CCNC(=O)c1cccnc1NC1CCCC1)c1ccccc1 ZINC000070039291 563904058 /nfs/dbraw/zinc/90/40/58/563904058.db2.gz IUDBAGJDLGQNSB-MRXNPFEDSA-N 0 0 337.467 4.360 50 0 EIAARN C[C@H]1CCc2ccccc2N1C(=O)CSc1nc2ccccc2[nH]1 ZINC000029268664 563905356 /nfs/dbraw/zinc/90/53/56/563905356.db2.gz VAUNYTCFYLNXCD-ZDUSSCGKSA-N 0 0 337.448 4.023 50 0 EIAARN CC(=O)Nc1cc(NC(=O)Nc2cc(F)ccc2Cl)ccc1C ZINC000072282548 563905574 /nfs/dbraw/zinc/90/55/74/563905574.db2.gz YXDOMUWMVJXHHI-UHFFFAOYSA-N 0 0 335.766 4.390 50 0 EIAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCn2c3ccccc3nc21 ZINC000029376047 563905853 /nfs/dbraw/zinc/90/58/53/563905853.db2.gz CSTRZYRPOCVCDL-UHFFFAOYSA-N 0 0 347.349 4.096 50 0 EIAARN CCO[C@H](C)c1nc(CC(=O)O[C@@H](c2ccccn2)C(C)C)cs1 ZINC000072287218 563907623 /nfs/dbraw/zinc/90/76/23/563907623.db2.gz GSNOSKSQFFSWCS-CXAGYDPISA-N 0 0 348.468 4.119 50 0 EIAARN C[C@H](NC(=O)NCc1nc2ccccc2s1)c1ccc(F)c(F)c1 ZINC000029677201 563907869 /nfs/dbraw/zinc/90/78/69/563907869.db2.gz KVCCQCVIVUXGJV-JTQLQIEISA-N 0 0 347.390 4.135 50 0 EIAARN CC[C@H](C)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000072291482 563908997 /nfs/dbraw/zinc/90/89/97/563908997.db2.gz PVTLIXLOVACHPV-ZDUSSCGKSA-N 0 0 330.453 4.005 50 0 EIAARN Cc1ccc(-c2csc3ncnc(NCCCn4cccn4)c23)cc1 ZINC000030517780 563909812 /nfs/dbraw/zinc/90/98/12/563909812.db2.gz GCULPIOALRJDTB-UHFFFAOYSA-N 0 0 349.463 4.365 50 0 EIAARN COc1ccc(OC)c(CCC(=O)Nc2cccc3ccccc32)c1 ZINC000030806853 563910748 /nfs/dbraw/zinc/91/07/48/563910748.db2.gz JOOMFFRDEJFBKF-UHFFFAOYSA-N 0 0 335.403 4.428 50 0 EIAARN ClC(Cl)(Cl)c1nnc(-c2cccc(Br)c2)o1 ZINC000030823797 563910817 /nfs/dbraw/zinc/91/08/17/563910817.db2.gz TVCDMVZZAMQXJW-UHFFFAOYSA-N 0 0 342.407 4.326 50 0 EIAARN CC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)NCc2ccncc2)c1 ZINC000072295997 563912179 /nfs/dbraw/zinc/91/21/79/563912179.db2.gz KBPZUWUNAKGQOC-CYBMUJFWSA-N 0 0 331.847 4.121 50 0 EIAARN CC[C@H]1[C@H](c2ccc(C)cc2)CCN1c1ncc(Br)cn1 ZINC000072302486 563914250 /nfs/dbraw/zinc/91/42/50/563914250.db2.gz QKVDNDQCXUJFCD-HOTGVXAUSA-N 0 0 346.272 4.320 50 0 EIAARN Cc1oc(-c2ccc(C(C)C)cc2)nc1C[NH+]1CCC(C(=O)[O-])CC1 ZINC000032917003 563914524 /nfs/dbraw/zinc/91/45/24/563914524.db2.gz REBMVORBGGRHID-UHFFFAOYSA-N 0 0 342.439 4.070 50 0 EIAARN O=C(CCSCc1ccccc1Cl)NCc1cccs1 ZINC000002953812 563914597 /nfs/dbraw/zinc/91/45/97/563914597.db2.gz KOVRLQPUFINSJR-UHFFFAOYSA-N 0 0 325.886 4.341 50 0 EIAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000033086826 563914807 /nfs/dbraw/zinc/91/48/07/563914807.db2.gz VJBPFXDNOAFDSD-HQHQJUQOSA-N 0 0 342.483 4.425 50 0 EIAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)c1c(F)cccc1Cl ZINC000033086839 563914814 /nfs/dbraw/zinc/91/48/14/563914814.db2.gz FTZBMTYDNLGEOL-CYBMUJFWSA-N 0 0 336.794 4.315 50 0 EIAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1c(F)cccc1Cl ZINC000033086838 563914827 /nfs/dbraw/zinc/91/48/27/563914827.db2.gz FTZBMTYDNLGEOL-ZDUSSCGKSA-N 0 0 336.794 4.315 50 0 EIAARN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc(C)cc1 ZINC000072305818 563915457 /nfs/dbraw/zinc/91/54/57/563915457.db2.gz ADPMSBSFGFHKQD-UHFFFAOYSA-N 0 0 349.475 4.200 50 0 EIAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1c(C)noc1C ZINC000033270545 563915620 /nfs/dbraw/zinc/91/56/20/563915620.db2.gz FLVPXBUIZHNZCJ-OAHLLOKOSA-N 0 0 329.400 4.059 50 0 EIAARN O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)[C@H]1CC=CCC1 ZINC000046246298 563916808 /nfs/dbraw/zinc/91/68/08/563916808.db2.gz DDBHJVVDYXUCBQ-LBPRGKRZSA-N 0 0 335.329 4.186 50 0 EIAARN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Cc2ccccc2)CCO1 ZINC000000206871 563917024 /nfs/dbraw/zinc/91/70/24/563917024.db2.gz CZINEGVPVXZXAS-HXUWFJFHSA-N 0 0 337.463 4.216 50 0 EIAARN O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000000438069 563917407 /nfs/dbraw/zinc/91/74/07/563917407.db2.gz OTYJSOZASDZLEO-UHFFFAOYSA-N 0 0 348.349 4.409 50 0 EIAARN COc1ccc(OC)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 ZINC000000452372 563917487 /nfs/dbraw/zinc/91/74/87/563917487.db2.gz BGCJNQSQFSMLBR-QGOAFFKASA-N 0 0 349.386 4.476 50 0 EIAARN COc1ccccc1Nc1nc(-c2ccncc2)nc2ccccc21 ZINC000002484215 563917909 /nfs/dbraw/zinc/91/79/09/563917909.db2.gz MHFYWVFICDXILV-UHFFFAOYSA-N 0 0 328.375 4.444 50 0 EIAARN CO[C@@H](C)CCNC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000465840685 563919910 /nfs/dbraw/zinc/91/99/10/563919910.db2.gz JQRIRKRRSBGCMZ-HNNXBMFYSA-N 0 0 336.451 4.095 50 0 EIAARN COc1ccc(N2C(=O)CC(c3ccc(C)cc3)CC2=O)cc1Cl ZINC000032985309 563920731 /nfs/dbraw/zinc/92/07/31/563920731.db2.gz XIUKYBNVNLMEHP-UHFFFAOYSA-N 0 0 343.810 4.094 50 0 EIAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3C)cc2)no1 ZINC000032996335 563921667 /nfs/dbraw/zinc/92/16/67/563921667.db2.gz MXEGEQQKBFCKGV-UHFFFAOYSA-N 0 0 340.358 4.391 50 0 EIAARN Clc1cccc(-c2noc(CNc3nc4ccccc4o3)n2)c1 ZINC000301293825 563922856 /nfs/dbraw/zinc/92/28/56/563922856.db2.gz OKJAKSMZOAJVPT-UHFFFAOYSA-N 0 0 326.743 4.143 50 0 EIAARN NC(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000041054890 563924135 /nfs/dbraw/zinc/92/41/35/563924135.db2.gz PWAZOENWZJKKPC-UHFFFAOYSA-N 0 0 331.297 4.096 50 0 EIAARN CC(=O)Nc1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2s1 ZINC000033008149 563924767 /nfs/dbraw/zinc/92/47/67/563924767.db2.gz HCEGBBLXEYHKBV-UHFFFAOYSA-N 0 0 344.371 4.038 50 0 EIAARN CCC[C@H](CCO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044198111 563926331 /nfs/dbraw/zinc/92/63/31/563926331.db2.gz GFZWISZGSINQLU-OAHLLOKOSA-N 0 0 339.435 4.076 50 0 EIAARN Cc1cccc(CCNC(=O)c2cnc(-c3ccccc3F)s2)c1 ZINC000060323233 563928861 /nfs/dbraw/zinc/92/88/61/563928861.db2.gz VCCGIPYACPHIGW-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN COCCN(C(=S)Nc1cccc(C)c1C)[C@@H](C)c1ccco1 ZINC000013543422 563929815 /nfs/dbraw/zinc/92/98/15/563929815.db2.gz NZXKBFFLEHKUQS-HNNXBMFYSA-N 0 0 332.469 4.303 50 0 EIAARN CCCn1cc(-c2ccnc(NCc3ccc(C)c(C)c3)n2)c(C)n1 ZINC000048319776 563930227 /nfs/dbraw/zinc/93/02/27/563930227.db2.gz DHGOMALCGOOMNF-UHFFFAOYSA-N 0 0 335.455 4.287 50 0 EIAARN CC(C)(C)c1cn(C2CCN(C(=O)CC3CCCCCC3)CC2)nn1 ZINC000048482735 563930472 /nfs/dbraw/zinc/93/04/72/563930472.db2.gz PVSDHWQNUIQHEH-UHFFFAOYSA-N 0 0 346.519 4.100 50 0 EIAARN C[C@@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)c1ccccc1F ZINC000060338155 563931499 /nfs/dbraw/zinc/93/14/99/563931499.db2.gz JPPOOSMAOZGYAP-AWEZNQCLSA-N 0 0 331.406 4.237 50 0 EIAARN C=Cc1ccc(CSc2nccn(-c3cccc(C)c3)c2=O)cc1 ZINC000033039910 563933199 /nfs/dbraw/zinc/93/31/99/563933199.db2.gz WZVYKTXVIIIZKB-UHFFFAOYSA-N 0 0 334.444 4.476 50 0 EIAARN Cc1noc(Cl)c1CCC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000058015881 563936722 /nfs/dbraw/zinc/93/67/22/563936722.db2.gz GLOXWAFYNKUNSF-INIZCTEOSA-N 0 0 334.847 4.473 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000043653800 563936920 /nfs/dbraw/zinc/93/69/20/563936920.db2.gz ULCNCXOGLJQDID-LLVKDONJSA-N 0 0 331.803 4.181 50 0 EIAARN CN(C)C(=O)c1cccc(CSc2nc3cc(Cl)ccc3o2)c1 ZINC000058157389 563938114 /nfs/dbraw/zinc/93/81/14/563938114.db2.gz XWNRSNGLVJBCRK-UHFFFAOYSA-N 0 0 346.839 4.475 50 0 EIAARN NC(=O)CCCCSc1ncnc2sc(-c3ccccc3)cc21 ZINC000058179917 563939173 /nfs/dbraw/zinc/93/91/73/563939173.db2.gz OTEUSBGRHNEWHW-UHFFFAOYSA-N 0 0 343.477 4.106 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc(-n3cccc3)c2)cc1 ZINC000058178011 563939189 /nfs/dbraw/zinc/93/91/89/563939189.db2.gz GKQMLYVPVFWCRG-UHFFFAOYSA-N 0 0 332.403 4.387 50 0 EIAARN Cc1cc(NC(=O)N2CCc3sccc3[C@H]2c2cccs2)no1 ZINC000058182153 563939273 /nfs/dbraw/zinc/93/92/73/563939273.db2.gz NVDDWQDDTVWOGY-HNNXBMFYSA-N 0 0 345.449 4.286 50 0 EIAARN Cc1noc(C)c1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000058192240 563939379 /nfs/dbraw/zinc/93/93/79/563939379.db2.gz VSCAJBZDTMJGQV-UHFFFAOYSA-N 0 0 345.786 4.171 50 0 EIAARN COc1c(C)cnc(CN(Cc2ccco2)Cc2ccco2)c1C ZINC000058196372 563939537 /nfs/dbraw/zinc/93/95/37/563939537.db2.gz YTWLKQDQBZMFPM-UHFFFAOYSA-N 0 0 326.396 4.095 50 0 EIAARN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CC2CCCC2)c1 ZINC000058208586 563939859 /nfs/dbraw/zinc/93/98/59/563939859.db2.gz YLKWAFFGQLEGKQ-UHFFFAOYSA-N 0 0 336.863 4.339 50 0 EIAARN CCn1c(S[C@H](C)c2cccnc2)nc2sc(C)c(C)c2c1=O ZINC000058245411 563940643 /nfs/dbraw/zinc/94/06/43/563940643.db2.gz YBVDAFUROIEIOY-GFCCVEGCSA-N 0 0 345.493 4.343 50 0 EIAARN COc1cc(C)cc2c1OCC[C@H]2NC(=O)Nc1ccc(Cl)cc1 ZINC000058281776 563941573 /nfs/dbraw/zinc/94/15/73/563941573.db2.gz OWPWJMQGEFTPKJ-OAHLLOKOSA-N 0 0 346.814 4.302 50 0 EIAARN CCc1nc(CCNC(=O)Nc2cc(Cl)cc(Cl)c2)cs1 ZINC000058310341 563942251 /nfs/dbraw/zinc/94/22/51/563942251.db2.gz PDGWHNNCOUWPIA-UHFFFAOYSA-N 0 0 344.267 4.377 50 0 EIAARN CC(C)c1nc(CC(=O)N2CCCc3cc(Cl)ccc32)cs1 ZINC000058345158 563943237 /nfs/dbraw/zinc/94/32/37/563943237.db2.gz GHZABWLLJYBGEH-UHFFFAOYSA-N 0 0 334.872 4.442 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1O ZINC000058406606 563945048 /nfs/dbraw/zinc/94/50/48/563945048.db2.gz MIPRFPSLBJTDHE-UHFFFAOYSA-N 0 0 347.480 4.352 50 0 EIAARN Cc1cccc(/C=C/C(=O)NCc2ccc(N3CCCCCC3)nc2)c1 ZINC000058413932 563945346 /nfs/dbraw/zinc/94/53/46/563945346.db2.gz LSAASAURDMKHCA-ZRDIBKRKSA-N 0 0 349.478 4.100 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=O)CCc1c(C)noc1Cl ZINC000058414157 563945364 /nfs/dbraw/zinc/94/53/64/563945364.db2.gz KWFPDEKLCKYJIC-ZDUSSCGKSA-N 0 0 338.860 4.167 50 0 EIAARN Cn1c2ccccc2nc1[C@H](NC(=O)CC1CCCC1)c1ccccc1 ZINC000058414633 563945436 /nfs/dbraw/zinc/94/54/36/563945436.db2.gz DUCXMZLSWXLDTE-OAQYLSRUSA-N 0 0 347.462 4.359 50 0 EIAARN O=C(CCCn1cccn1)Nc1nc2c(ccc3ccccc23)s1 ZINC000058416756 563945483 /nfs/dbraw/zinc/94/54/83/563945483.db2.gz IYBVKIJYNGZRCH-UHFFFAOYSA-N 0 0 336.420 4.065 50 0 EIAARN COc1cccnc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000058434291 563946380 /nfs/dbraw/zinc/94/63/80/563946380.db2.gz PUJIEIVSVSJCHX-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN COc1c(C)cnc(CN(C)C(=S)Nc2c(C)cccc2C)c1C ZINC000058466637 563946597 /nfs/dbraw/zinc/94/65/97/563946597.db2.gz KWYWYDOMWFRDEW-UHFFFAOYSA-N 0 0 343.496 4.153 50 0 EIAARN CC(C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000058774925 563947189 /nfs/dbraw/zinc/94/71/89/563947189.db2.gz OJSZGDTZDCPRTB-IBGZPJMESA-N 0 0 325.427 4.413 50 0 EIAARN Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 ZINC000059349855 563948055 /nfs/dbraw/zinc/94/80/55/563948055.db2.gz VGSCUAAYWMMTCS-UHFFFAOYSA-N 0 0 338.219 4.438 50 0 EIAARN CC(C)[C@H](NC(=O)c1cc2ccccc2n1C)c1nc2ccccc2[nH]1 ZINC000059741252 563949333 /nfs/dbraw/zinc/94/93/33/563949333.db2.gz RMWPFTAQDICGCC-IBGZPJMESA-N 0 0 346.434 4.182 50 0 EIAARN O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000059898252 563949411 /nfs/dbraw/zinc/94/94/11/563949411.db2.gz VVWFZLZKOFVAFI-UHFFFAOYSA-N 0 0 346.217 4.491 50 0 EIAARN Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1C ZINC000060141344 563949787 /nfs/dbraw/zinc/94/97/87/563949787.db2.gz LWEPJUBGUPWONF-INIZCTEOSA-N 0 0 332.444 4.032 50 0 EIAARN CCc1noc([C@H](C)SCCCC(=O)Nc2c(C)cccc2C)n1 ZINC000096413050 563950826 /nfs/dbraw/zinc/95/08/26/563950826.db2.gz GPMDRPAISAOABI-AWEZNQCLSA-N 0 0 347.484 4.462 50 0 EIAARN CC[C@H](NC(=O)Nc1nnc(C(F)F)s1)c1cc(F)ccc1F ZINC000096420144 563951438 /nfs/dbraw/zinc/95/14/38/563951438.db2.gz OQNPQGQPFOWXKA-VIFPVBQESA-N 0 0 348.325 4.027 50 0 EIAARN COCc1csc(NC(=O)N2CCCCC[C@H]2c2ccco2)n1 ZINC000096435542 563952485 /nfs/dbraw/zinc/95/24/85/563952485.db2.gz JAWSBXJTMDWPRL-ZDUSSCGKSA-N 0 0 335.429 4.032 50 0 EIAARN C[C@H](Sc1ccc(S(C)(=O)=O)cc1)c1ncc(C(C)(C)C)o1 ZINC000096447713 563953485 /nfs/dbraw/zinc/95/34/85/563953485.db2.gz LIZIHAJIEYHJKM-NSHDSACASA-N 0 0 339.482 4.229 50 0 EIAARN Clc1cccc(-c2noc(CCc3nnc(C4CCCC4)o3)n2)c1 ZINC000096471661 563954489 /nfs/dbraw/zinc/95/44/89/563954489.db2.gz GZKFLCLUPAVHDB-UHFFFAOYSA-N 0 0 344.802 4.216 50 0 EIAARN COc1cccc(F)c1[C@H](C)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000096478591 563955057 /nfs/dbraw/zinc/95/50/57/563955057.db2.gz KQVKRGFXFMVTSU-STQMWFEESA-N 0 0 330.403 4.205 50 0 EIAARN Cc1ocnc1CNC(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000096491443 563955633 /nfs/dbraw/zinc/95/56/33/563955633.db2.gz KWOBLXIQTRYDQV-UHFFFAOYSA-N 0 0 341.342 4.236 50 0 EIAARN COCc1ccc([C@H]2CCCN2C(=O)NC[C@H](C)c2cccs2)o1 ZINC000096503262 563956019 /nfs/dbraw/zinc/95/60/19/563956019.db2.gz WPTDRQWZLFDXQB-DZGCQCFKSA-N 0 0 348.468 4.138 50 0 EIAARN CCCOc1ccc(CN2CCC[C@@H]2c2cc(C)no2)cc1OC ZINC000064666850 563956942 /nfs/dbraw/zinc/95/69/42/563956942.db2.gz UTEFOGDIDUTHIG-MRXNPFEDSA-N 0 0 330.428 4.118 50 0 EIAARN CCc1ccccc1NC(=O)N1CCSc2nc(C)cc(C)c21 ZINC000064658175 563957033 /nfs/dbraw/zinc/95/70/33/563957033.db2.gz CMQIZAMZEAEHND-UHFFFAOYSA-N 0 0 327.453 4.405 50 0 EIAARN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ncccc3C)c2)c1 ZINC000065371713 563958463 /nfs/dbraw/zinc/95/84/63/563958463.db2.gz AMUUNNCRJPJQMS-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN C/C(=C\c1ccccc1)[C@H]1CC(=O)Nc2n[nH]c(-c3cccnc3)c21 ZINC000065386071 563959288 /nfs/dbraw/zinc/95/92/88/563959288.db2.gz ICZFRGNWVFGFDX-QSOAKEGCSA-N 0 0 330.391 4.001 50 0 EIAARN CC(C)n1cc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)cn1 ZINC000065451497 563960908 /nfs/dbraw/zinc/96/09/08/563960908.db2.gz OYZXYVDVGNBQCP-SFHVURJKSA-N 0 0 336.439 4.174 50 0 EIAARN COc1cccc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)c1F ZINC000065468466 563961278 /nfs/dbraw/zinc/96/12/78/563961278.db2.gz CAVOWVLAXRYQKR-LZQZEXGQSA-N 0 0 349.446 4.139 50 0 EIAARN Cc1cccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)n1 ZINC000033073089 563963392 /nfs/dbraw/zinc/96/33/92/563963392.db2.gz GXVBHLBRIBOXPZ-UHFFFAOYSA-N 0 0 346.434 4.181 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000033077078 563963412 /nfs/dbraw/zinc/96/34/12/563963412.db2.gz WKNXDYDOOGRQLU-UHFFFAOYSA-N 0 0 347.296 4.316 50 0 EIAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1c(C)cccc1C ZINC000033085978 563963471 /nfs/dbraw/zinc/96/34/71/563963471.db2.gz QUVQGOPDQBBPBP-UHFFFAOYSA-N 0 0 348.450 4.345 50 0 EIAARN Cc1nnc(SCCOc2ccc(C)cc2)n1-c1cccc(C)c1 ZINC000004675580 563963680 /nfs/dbraw/zinc/96/36/80/563963680.db2.gz RAZVQASVUVAGDD-UHFFFAOYSA-N 0 0 339.464 4.364 50 0 EIAARN Cc1nc2ccc(NCC(=O)NC3CCCCCCC3)cc2s1 ZINC000060465550 563963690 /nfs/dbraw/zinc/96/36/90/563963690.db2.gz NTVKAVZJWTZRLY-UHFFFAOYSA-N 0 0 331.485 4.246 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)cn3)s2)o1 ZINC000033158722 563963996 /nfs/dbraw/zinc/96/39/96/563963996.db2.gz QQHSKSBSNMDKGT-UHFFFAOYSA-N 0 0 333.800 4.321 50 0 EIAARN CC(C)NC(=S)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000060544704 563964854 /nfs/dbraw/zinc/96/48/54/563964854.db2.gz UCNUOCNKAWGIIO-JAGHRAMZSA-N 0 0 336.504 4.156 50 0 EIAARN COc1ccc2cc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)[nH]c2c1 ZINC000033215166 563965831 /nfs/dbraw/zinc/96/58/31/563965831.db2.gz XPQZMSSQYIURRL-UHFFFAOYSA-N 0 0 347.374 4.447 50 0 EIAARN CCn1c(CCc2ccc(NC(=O)C3CC3)cc2)nc2ccccc21 ZINC000033252609 563966070 /nfs/dbraw/zinc/96/60/70/563966070.db2.gz MYWMVOSQYLUJCT-UHFFFAOYSA-N 0 0 333.435 4.190 50 0 EIAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)NC(C)C)cc3)nn2)c1 ZINC000033256959 563966183 /nfs/dbraw/zinc/96/61/83/563966183.db2.gz ZVTBCNMVTLESDG-UHFFFAOYSA-N 0 0 346.434 4.334 50 0 EIAARN CCCNC(=O)Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000033257147 563966187 /nfs/dbraw/zinc/96/61/87/563966187.db2.gz IUVBKKXVDZHINJ-UHFFFAOYSA-N 0 0 340.358 4.074 50 0 EIAARN c1cc2c(nc(NCc3ccccn3)cc2-c2nccc3occc32)[nH]1 ZINC000072160883 563966274 /nfs/dbraw/zinc/96/62/74/563966274.db2.gz FWMBMVSZHYXEGT-UHFFFAOYSA-N 0 0 341.374 4.378 50 0 EIAARN CN(C)C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072161044 563966321 /nfs/dbraw/zinc/96/63/21/563966321.db2.gz YLYMHXKJDCESPU-CYBMUJFWSA-N 0 0 328.378 4.032 50 0 EIAARN CC(C)CCNC(=O)c1cc(N2CCC[C@@H](C)C2)nc2ccccc21 ZINC000022344132 563966805 /nfs/dbraw/zinc/96/68/05/563966805.db2.gz JWSNEMRFMDBWHU-MRXNPFEDSA-N 0 0 339.483 4.247 50 0 EIAARN CC(C)COc1ccccc1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000097045839 563966971 /nfs/dbraw/zinc/96/69/71/563966971.db2.gz RZJXQLSDWOYIRY-UHFFFAOYSA-N 0 0 342.439 4.031 50 0 EIAARN C[S@@](=O)Cc1cccc(NCCc2c(F)cccc2Cl)c1 ZINC000097114006 563967914 /nfs/dbraw/zinc/96/79/14/563967914.db2.gz CJQLMLRCWRASGX-NRFANRHFSA-N 0 0 325.836 4.012 50 0 EIAARN Cc1c2cccc(F)c2[nH]c1C(=O)N(C)Cc1cccc2cnccc21 ZINC000077287004 563968715 /nfs/dbraw/zinc/96/87/15/563968715.db2.gz UNFVJKDIRXMQAR-UHFFFAOYSA-N 0 0 347.393 4.436 50 0 EIAARN Cc1cccc([C@H](C2CC2)n2ccnc2-c2nc3ccccc3n2C)n1 ZINC000077284907 563968722 /nfs/dbraw/zinc/96/87/22/563968722.db2.gz WPKIERXZHROFSJ-IBGZPJMESA-N 0 0 343.434 4.140 50 0 EIAARN Cc1cc(C(=O)N(C)[C@H](C)c2cncs2)c2ccc(C)c(C)c2n1 ZINC000077299348 563968807 /nfs/dbraw/zinc/96/88/07/563968807.db2.gz FKCKNAHNCSDVLW-CQSZACIVSA-N 0 0 339.464 4.450 50 0 EIAARN O=C(Cc1cccc(Cl)c1)N1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000077300682 563968832 /nfs/dbraw/zinc/96/88/32/563968832.db2.gz ZZHGZBRIEAETFY-KRWDZBQOSA-N 0 0 341.838 4.004 50 0 EIAARN CCCc1ccc2oc(C(=O)N(C)Cc3snnc3C)c(C)c2c1 ZINC000077299575 563968848 /nfs/dbraw/zinc/96/88/48/563968848.db2.gz WTMOTBRRMQKIHN-UHFFFAOYSA-N 0 0 343.452 4.126 50 0 EIAARN CC(C)c1nc(CN(C)Cc2cccc(Cn3cccn3)c2)cs1 ZINC000077358040 563969195 /nfs/dbraw/zinc/96/91/95/563969195.db2.gz RVUUESBRBHQPRM-UHFFFAOYSA-N 0 0 340.496 4.143 50 0 EIAARN CCCc1cc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)no1 ZINC000077408199 563969540 /nfs/dbraw/zinc/96/95/40/563969540.db2.gz FMQURGQJIRKJPI-FQEVSTJZSA-N 0 0 349.434 4.158 50 0 EIAARN CSc1ccccc1NC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 ZINC000077422875 563969550 /nfs/dbraw/zinc/96/95/50/563969550.db2.gz MNBFMXQWZZGRRC-ZDUSSCGKSA-N 0 0 346.456 4.284 50 0 EIAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)CCC[C@H]1CCCO1 ZINC000077438023 563969652 /nfs/dbraw/zinc/96/96/52/563969652.db2.gz FYYWHUBLOLLPQT-INIZCTEOSA-N 0 0 329.440 4.389 50 0 EIAARN Cc1cc(C(=O)N(C)C2CCSCC2)c2ccc(C)c(C)c2n1 ZINC000077457487 563969756 /nfs/dbraw/zinc/96/97/56/563969756.db2.gz DLGVMKOOANNXPW-UHFFFAOYSA-N 0 0 328.481 4.128 50 0 EIAARN COc1cccc([C@H]2CCCCN2C(=O)c2sc(C)nc2C)c1 ZINC000077472518 563969917 /nfs/dbraw/zinc/96/99/17/563969917.db2.gz UXTSCEDYDZRFED-MRXNPFEDSA-N 0 0 330.453 4.136 50 0 EIAARN COc1cccc([C@H]2CCCCN2C(=O)c2ccc3nccnc3c2)c1 ZINC000077537500 563970244 /nfs/dbraw/zinc/97/02/44/563970244.db2.gz VOVKGOSGHCHLQM-HXUWFJFHSA-N 0 0 347.418 4.006 50 0 EIAARN CN(Cc1cccc2ncccc12)C(=O)c1ccc(N2CCCC2)cc1 ZINC000077565592 563970372 /nfs/dbraw/zinc/97/03/72/563970372.db2.gz WVGIOJODPLNMRY-UHFFFAOYSA-N 0 0 345.446 4.107 50 0 EIAARN CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)n(C)n1 ZINC000077565563 563970398 /nfs/dbraw/zinc/97/03/98/563970398.db2.gz BCWOEDMZIQMFKC-SFHVURJKSA-N 0 0 343.446 4.125 50 0 EIAARN Clc1ccc(-c2ncc(Cn3ccnc3-c3ccccn3)cn2)cc1 ZINC000097227957 563970622 /nfs/dbraw/zinc/97/06/22/563970622.db2.gz MISCNFLKHCLCFV-UHFFFAOYSA-N 0 0 347.809 4.104 50 0 EIAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1 ZINC000011256649 563970904 /nfs/dbraw/zinc/97/09/04/563970904.db2.gz VXOFHKWLKSXPSH-UHFFFAOYSA-N 0 0 331.419 4.477 50 0 EIAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000043754875 563971842 /nfs/dbraw/zinc/97/18/42/563971842.db2.gz XDBMOHXMTGEIOU-UHFFFAOYSA-N 0 0 337.341 4.423 50 0 EIAARN COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccco2)cc1 ZINC000082106836 563972283 /nfs/dbraw/zinc/97/22/83/563972283.db2.gz CEXRSTTVNNUJFW-SFHVURJKSA-N 0 0 327.424 4.368 50 0 EIAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1nccs1 ZINC000082120846 563972471 /nfs/dbraw/zinc/97/24/71/563972471.db2.gz FXXQYVVMMSTLEK-LLVKDONJSA-N 0 0 347.490 4.305 50 0 EIAARN CC[C@H]1c2cccn2CCN1C(=O)c1csc(-c2cccs2)n1 ZINC000082134158 563972543 /nfs/dbraw/zinc/97/25/43/563972543.db2.gz SYMCFDSPRAQSHZ-ZDUSSCGKSA-N 0 0 343.477 4.280 50 0 EIAARN Cc1nc([C@H](C)N(C)C(=O)CCc2c[nH]c3ccccc23)c(C)s1 ZINC000082147650 563972721 /nfs/dbraw/zinc/97/27/21/563972721.db2.gz HIXHITBDQFKVNT-LBPRGKRZSA-N 0 0 341.480 4.393 50 0 EIAARN CCOc1ccc(Cl)cc1CN(C)C(=O)c1cc(C(C)C)on1 ZINC000082156456 563972731 /nfs/dbraw/zinc/97/27/31/563972731.db2.gz ILKYYLWIEFNUEI-UHFFFAOYSA-N 0 0 336.819 4.122 50 0 EIAARN COc1cc(C)nc2ccc(NC(=O)Nc3ccccc3F)cc21 ZINC000033278720 563972879 /nfs/dbraw/zinc/97/28/79/563972879.db2.gz KTAFNECOJGMUKG-UHFFFAOYSA-N 0 0 325.343 4.335 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000004738614 563972915 /nfs/dbraw/zinc/97/29/15/563972915.db2.gz XYUKOWNZXPLBHY-UHFFFAOYSA-N 0 0 338.451 4.249 50 0 EIAARN Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc(C(C)C)cc1 ZINC000033298677 563973088 /nfs/dbraw/zinc/97/30/88/563973088.db2.gz PRFDJAQPWPBVAM-UHFFFAOYSA-N 0 0 339.464 4.296 50 0 EIAARN CN(Cc1csc2ccccc12)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000060686472 563973317 /nfs/dbraw/zinc/97/33/17/563973317.db2.gz LMDHQXVEOJGWNY-UHFFFAOYSA-N 0 0 348.427 4.015 50 0 EIAARN Cn1cc(-c2ncc(/C=C(\Cl)c3nc4ccccc4o3)s2)cn1 ZINC000585140094 563973382 /nfs/dbraw/zinc/97/33/82/563973382.db2.gz WTLYPUOLSSSBNE-SDQBBNPISA-N 0 0 342.811 4.422 50 0 EIAARN COC(=O)c1ccc(NC(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000033307871 563973460 /nfs/dbraw/zinc/97/34/60/563973460.db2.gz KQHDMLHOFWKRLZ-KAMYIIQDSA-N 0 0 331.371 4.278 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000084008399 563973522 /nfs/dbraw/zinc/97/35/22/563973522.db2.gz HHNWTMAHHKVWEN-UHFFFAOYSA-N 0 0 325.334 4.352 50 0 EIAARN COc1cccc2c1CCCCN2C(=O)C[C@@H](C)c1c(C)noc1C ZINC000129172002 563974073 /nfs/dbraw/zinc/97/40/73/563974073.db2.gz TXMREUFPLFKAMK-CYBMUJFWSA-N 0 0 342.439 4.163 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1cc(-c2ccco2)on1 ZINC000585148434 563974120 /nfs/dbraw/zinc/97/41/20/563974120.db2.gz LCMZQAUUAFAXHB-UHFFFAOYSA-N 0 0 334.331 4.125 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)NCCc1c(F)cccc1Cl ZINC000091390994 563975381 /nfs/dbraw/zinc/97/53/81/563975381.db2.gz MDLYXAKHBPWGFB-UHFFFAOYSA-N 0 0 340.851 4.340 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N(C)C2CCCCCC2)cc1Cl ZINC000043953771 563976445 /nfs/dbraw/zinc/97/64/45/563976445.db2.gz AJWXZUIQZFJYLK-UHFFFAOYSA-N 0 0 337.851 4.485 50 0 EIAARN Cc1nn(C(=O)c2ccncc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000000089502 563976460 /nfs/dbraw/zinc/97/64/60/563976460.db2.gz OLOXDRRFGMHPJK-UHFFFAOYSA-N 0 0 343.839 4.388 50 0 EIAARN CC(C)CC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000072291480 563976590 /nfs/dbraw/zinc/97/65/90/563976590.db2.gz JAQPTUHQXNLESZ-UHFFFAOYSA-N 0 0 330.453 4.005 50 0 EIAARN CCO[C@@H](C)CN(C)C(=O)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000095502030 563977106 /nfs/dbraw/zinc/97/71/06/563977106.db2.gz DSUREOUEFIRLHM-PCUGXKRQSA-N 0 0 339.439 4.141 50 0 EIAARN COCC[C@@H]1CCCCN1C(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000095501478 563977113 /nfs/dbraw/zinc/97/71/13/563977113.db2.gz HUVUSRZOUGBEGE-INIZCTEOSA-N 0 0 348.487 4.416 50 0 EIAARN Cc1nn(C)c2nc(N3CCCC[C@@H]3c3ccc(F)cc3)sc12 ZINC000095506878 563977144 /nfs/dbraw/zinc/97/71/44/563977144.db2.gz GBVWBVMJPNQIPS-CQSZACIVSA-N 0 0 330.432 4.209 50 0 EIAARN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000095529185 563977560 /nfs/dbraw/zinc/97/75/60/563977560.db2.gz XVNHCZWKLBFSDE-NRFANRHFSA-N 0 0 339.483 4.220 50 0 EIAARN O=c1c2cc3ccccc3[nH]c-2cn1-c1ccc(Br)cc1 ZINC000096026288 563977906 /nfs/dbraw/zinc/97/79/06/563977906.db2.gz HHLVLXSVBGQDGE-UHFFFAOYSA-N 0 0 339.192 4.158 50 0 EIAARN CN(Cc1cc(-c2ccncc2)no1)c1ncc(Cl)cc1Cl ZINC000096149622 563979609 /nfs/dbraw/zinc/97/96/09/563979609.db2.gz ONMORQBIXPHAOV-UHFFFAOYSA-N 0 0 335.194 4.075 50 0 EIAARN C[C@@H]1Cc2cc(/C=C3\N=C(c4ccccc4Cl)OC3=O)ccc2O1 ZINC000000099372 563981720 /nfs/dbraw/zinc/98/17/20/563981720.db2.gz CUZIQNWIIUGDED-FFCYNSPCSA-N 0 0 339.778 4.008 50 0 EIAARN COc1cccc(-c2noc(N(C)Cc3ccc(SC)cc3)n2)c1 ZINC000072301777 563981856 /nfs/dbraw/zinc/98/18/56/563981856.db2.gz SQUDKSKRPGGDLX-UHFFFAOYSA-N 0 0 341.436 4.104 50 0 EIAARN CCc1cc(N(C)[C@H](C)c2cccc(O)c2)nc(-c2ccccn2)n1 ZINC000072307698 563983473 /nfs/dbraw/zinc/98/34/73/563983473.db2.gz XPWIVGUUILYSTF-CQSZACIVSA-N 0 0 334.423 4.004 50 0 EIAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc2ccccc2n1 ZINC000046507101 563983965 /nfs/dbraw/zinc/98/39/65/563983965.db2.gz WZFKGOBDQRCFCD-GOSISDBHSA-N 0 0 348.402 4.045 50 0 EIAARN CCOC(=O)c1sc2nc(C)nc(NCc3ccccc3)c2c1C ZINC000000109462 563986515 /nfs/dbraw/zinc/98/65/15/563986515.db2.gz SODMBVYLWHGAFJ-UHFFFAOYSA-N 0 0 341.436 4.097 50 0 EIAARN COC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000000112239 563986625 /nfs/dbraw/zinc/98/66/25/563986625.db2.gz FCBFAPUHTFFAIH-UHFFFAOYSA-N 0 0 326.304 4.039 50 0 EIAARN Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000000110788 563986639 /nfs/dbraw/zinc/98/66/39/563986639.db2.gz CKSDOHFQQJFJLM-CQSZACIVSA-N 0 0 343.398 4.188 50 0 EIAARN Cc1cccc(OC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000000144894 563987159 /nfs/dbraw/zinc/98/71/59/563987159.db2.gz YWTHNVGEAPFZHF-UHFFFAOYSA-N 0 0 348.185 4.051 50 0 EIAARN CCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1OCC ZINC000000147573 563987278 /nfs/dbraw/zinc/98/72/78/563987278.db2.gz GAPQNNBCRHLGOZ-NTUHNPAUSA-N 0 0 342.391 4.111 50 0 EIAARN Cc1cc(C)nc(SCc2nc3ccc(Cl)cn3c2Cl)n1 ZINC000000151944 563987419 /nfs/dbraw/zinc/98/74/19/563987419.db2.gz CNRODGPUBFZPMI-UHFFFAOYSA-N 0 0 339.251 4.340 50 0 EIAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccccc1F ZINC000000176314 563987670 /nfs/dbraw/zinc/98/76/70/563987670.db2.gz MLLHGOSALYTRIO-AUWJEWJLSA-N 0 0 336.149 4.477 50 0 EIAARN Cc1ccc(Cn2cc(CCC(=O)NC3CC3)c3ccccc32)cc1 ZINC000000218832 563988780 /nfs/dbraw/zinc/98/87/80/563988780.db2.gz GSHALMPTMHLUEM-UHFFFAOYSA-N 0 0 332.447 4.209 50 0 EIAARN O=C(Oc1ccc2cc(Br)ccc2c1)c1cccnc1 ZINC000000241602 563989156 /nfs/dbraw/zinc/98/91/56/563989156.db2.gz ATUDSAYUFADFGZ-UHFFFAOYSA-N 0 0 328.165 4.217 50 0 EIAARN CCCc1nc2ccccc2n1C[C@@H](O)COc1c(C)cccc1C ZINC000000242861 563989174 /nfs/dbraw/zinc/98/91/74/563989174.db2.gz RSSIQJZZTLNSHR-QGZVFWFLSA-N 0 0 338.451 4.046 50 0 EIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)c(F)c1 ZINC000000253053 563989442 /nfs/dbraw/zinc/98/94/42/563989442.db2.gz HNZLZBWCRATQMA-UHFFFAOYSA-N 0 0 345.301 4.140 50 0 EIAARN CCC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000000253540 563989635 /nfs/dbraw/zinc/98/96/35/563989635.db2.gz SSELGPCRYBLHJS-UHFFFAOYSA-N 0 0 336.387 4.316 50 0 EIAARN CCOC(=O)c1c2cccc(O)c2sc1NC(=O)c1ccccc1 ZINC000000284278 563990243 /nfs/dbraw/zinc/99/02/43/563990243.db2.gz FKXCMEYVEAULGJ-UHFFFAOYSA-N 0 0 341.388 4.036 50 0 EIAARN CC(C)CN(C(=O)c1ncoc1C1CC1)[C@@H]1CCCc2cccnc21 ZINC000329084630 563991036 /nfs/dbraw/zinc/99/10/36/563991036.db2.gz TWHHDVYTISMCNQ-MRXNPFEDSA-N 0 0 339.439 4.123 50 0 EIAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000000319577 563991115 /nfs/dbraw/zinc/99/11/15/563991115.db2.gz JFXDGHBDHUQAIP-LBPRGKRZSA-N 0 0 345.826 4.117 50 0 EIAARN Fc1ccccc1NC(=S)N1CCc2[nH]c3ccccc3c2C1 ZINC000000351345 563991544 /nfs/dbraw/zinc/99/15/44/563991544.db2.gz GQOSQRULEOVIBP-UHFFFAOYSA-N 0 0 325.412 4.062 50 0 biogenic EIAARN Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)nc1 ZINC000000364140 563991673 /nfs/dbraw/zinc/99/16/73/563991673.db2.gz GTUSFOFWFVJCFC-INIZCTEOSA-N 0 0 344.414 4.363 50 0 EIAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cccc(F)c1 ZINC000000371098 563991781 /nfs/dbraw/zinc/99/17/81/563991781.db2.gz VSZHUZKFABSEIV-UHFFFAOYSA-N 0 0 335.400 4.440 50 0 EIAARN Cc1cccc(NC(=O)c2ccncc2Br)c1Cl ZINC000158739841 563991878 /nfs/dbraw/zinc/99/18/78/563991878.db2.gz BJCKWHUEHKYLKD-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccco1 ZINC000000373786 563991880 /nfs/dbraw/zinc/99/18/80/563991880.db2.gz VKLUQCLMLWOQOE-UHFFFAOYSA-N 0 0 345.351 4.186 50 0 EIAARN Cc1c(C(=O)N(C)c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000000385355 563991980 /nfs/dbraw/zinc/99/19/80/563991980.db2.gz OUZXABSPGPLBQQ-UHFFFAOYSA-N 0 0 325.799 4.111 50 0 EIAARN O=C(c1ccc(-n2ccnc2)nc1)N1CCCCC[C@H]1c1ccccc1 ZINC000133475914 563992047 /nfs/dbraw/zinc/99/20/47/563992047.db2.gz REKAKLFAYDEBQD-IBGZPJMESA-N 0 0 346.434 4.025 50 0 EIAARN Cc1ccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cc1O ZINC000408513627 563992727 /nfs/dbraw/zinc/99/27/27/563992727.db2.gz CYIDHMKPMWNQBH-LBPRGKRZSA-N 0 0 341.436 4.010 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2F)n1 ZINC000257365268 563993323 /nfs/dbraw/zinc/99/33/23/563993323.db2.gz YISLYXFIZCOVDL-ZOBUZTSGSA-N 0 0 344.455 4.448 50 0 EIAARN CCn1nc(C)c(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c1C ZINC000121072999 563993878 /nfs/dbraw/zinc/99/38/78/563993878.db2.gz KHKXFOVXEYDDPJ-DOMZBBRYSA-N 0 0 330.432 4.118 50 0 EIAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)NC1CCCCC1 ZINC000005146566 563994656 /nfs/dbraw/zinc/99/46/56/563994656.db2.gz QCOIKDLPTPVWTL-UHFFFAOYSA-N 0 0 339.464 4.054 50 0 EIAARN CCCCCOc1ccc(CN2c3ccc(C)cc3C(=O)C2=O)cc1 ZINC000005152241 563994728 /nfs/dbraw/zinc/99/47/28/563994728.db2.gz GSIHTSBDLFCDEU-UHFFFAOYSA-N 0 0 337.419 4.294 50 0 EIAARN Cc1noc(-c2ccccc2)c1NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000126359507 563995753 /nfs/dbraw/zinc/99/57/53/563995753.db2.gz MJRZOWXPJTUXID-QGZVFWFLSA-N 0 0 348.406 4.414 50 0 EIAARN CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000028246131 563996098 /nfs/dbraw/zinc/99/60/98/563996098.db2.gz MDMCHIWXLIRGIO-UHFFFAOYSA-N 0 0 346.793 4.113 50 0 EIAARN CCC(CC)n1ncc(C(=O)N[C@H]2COc3c2cccc3Cl)c1C ZINC000252550332 563997887 /nfs/dbraw/zinc/99/78/87/563997887.db2.gz SJKHEHFXISNUEY-INIZCTEOSA-N 0 0 347.846 4.070 50 0 EIAARN COc1ccc2nc3sc(C(=O)N4CCCCCC4)cc3cc2c1 ZINC000000428355 563998895 /nfs/dbraw/zinc/99/88/95/563998895.db2.gz WGPMRKVXMLJSBB-UHFFFAOYSA-N 0 0 340.448 4.474 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@H]2O ZINC000253596345 563999358 /nfs/dbraw/zinc/99/93/58/563999358.db2.gz QIOYEDVDPAWRGZ-QONVVCGCSA-N 0 0 332.484 4.053 50 0 EIAARN COc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1 ZINC000000430423 563999373 /nfs/dbraw/zinc/99/93/73/563999373.db2.gz KRCOMGHEAZRPIR-CPNJWEJPSA-N 0 0 329.355 4.193 50 0 EIAARN COc1ccccc1C1=N/C(=C/c2cccc3ccccc23)C(=O)O1 ZINC000000430640 563999409 /nfs/dbraw/zinc/99/94/09/563999409.db2.gz FCHDDGGGSLUPKH-QGOAFFKASA-N 0 0 329.355 4.193 50 0 EIAARN c1ccc(CCNc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000000442667 563999610 /nfs/dbraw/zinc/99/96/10/563999610.db2.gz UWQNTLVHUVARDK-UHFFFAOYSA-N 0 0 326.403 4.346 50 0 EIAARN Clc1cccc(CSc2nnc3ccc(-c4ccco4)nn32)c1 ZINC000005168211 563999812 /nfs/dbraw/zinc/99/98/12/563999812.db2.gz DAAFQKCWEBHWDH-UHFFFAOYSA-N 0 0 342.811 4.330 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCCc1ccc2ccccc2c1 ZINC000179121977 563999931 /nfs/dbraw/zinc/99/99/31/563999931.db2.gz KFOULHSZSJRAMP-AWEZNQCLSA-N 0 0 335.451 4.032 50 0 EIAARN O=C(N[C@@H]1CCSc2ccccc21)c1cccc(Br)c1 ZINC000005176812 564000001 /nfs/dbraw/zinc/00/00/01/564000001.db2.gz AKZFRBCOFKVCHD-CQSZACIVSA-N 0 0 348.265 4.416 50 0 EIAARN CCc1ccc(-c2nc(SCCOc3ccccc3F)n[nH]2)cc1 ZINC000005178974 564000040 /nfs/dbraw/zinc/00/00/40/564000040.db2.gz UVRQMXFUUKNJIB-UHFFFAOYSA-N 0 0 343.427 4.344 50 0 EIAARN Brc1ccc2oc3c(ncnc3N3CCCCC3)c2c1 ZINC000005195148 564000292 /nfs/dbraw/zinc/00/02/92/564000292.db2.gz LMXJQUSXUBCNQW-UHFFFAOYSA-N 0 0 332.201 4.129 50 0 EIAARN CNc1nc2c(s1)[C@H](c1ccc(OCC(C)C)cc1)CC(=O)N2 ZINC000061719343 564000450 /nfs/dbraw/zinc/00/04/50/564000450.db2.gz OMGSXPZEXOHPBM-ZDUSSCGKSA-N 0 0 331.441 4.343 50 0 EIAARN CSc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000005211571 564001090 /nfs/dbraw/zinc/00/10/90/564001090.db2.gz GMVZVTXRPGQZHX-SECBINFHSA-N 0 0 349.506 4.413 50 0 EIAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)C(C)C)cc2c1 ZINC000005248650 564001442 /nfs/dbraw/zinc/00/14/42/564001442.db2.gz SOEWVGNYIZHUAM-UHFFFAOYSA-N 0 0 348.446 4.196 50 0 EIAARN CCCCC(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C ZINC000005240112 564001456 /nfs/dbraw/zinc/00/14/56/564001456.db2.gz IZDKNDDHKNDMAK-UHFFFAOYSA-N 0 0 349.434 4.131 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)NC1CC1 ZINC000005242887 564001521 /nfs/dbraw/zinc/00/15/21/564001521.db2.gz DCNHDMZXJRDAPW-CYBMUJFWSA-N 0 0 349.459 4.056 50 0 EIAARN 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CCOc1ccc(S(=O)(=O)Nc2ccccc2[C@H](C)CC)cc1 ZINC000005652716 564007061 /nfs/dbraw/zinc/00/70/61/564007061.db2.gz UGAMTMKRSAEPCS-CQSZACIVSA-N 0 0 333.453 4.400 50 0 EIAARN O=C(/C=C\c1ccccc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000017178083 564011326 /nfs/dbraw/zinc/01/13/26/564011326.db2.gz KGLGSXUGGVLWPT-QBFSEMIESA-N 0 0 330.431 4.376 50 0 EIAARN CCCc1cc(C(=O)NCCc2c[nH]c3ccccc23)sc1C ZINC000017295212 564011492 /nfs/dbraw/zinc/01/14/92/564011492.db2.gz AUWWMYNEAHBMJI-UHFFFAOYSA-N 0 0 326.465 4.463 50 0 EIAARN Cc1cccc(OCC(=O)Nc2ccc(Br)cc2)c1C ZINC000000122278 564012089 /nfs/dbraw/zinc/01/20/89/564012089.db2.gz JQURSXRKGOWVAU-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CC(C)Oc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000000144397 564012096 /nfs/dbraw/zinc/01/20/96/564012096.db2.gz FXJVFVHNGAPVCO-UHFFFAOYSA-N 0 0 334.213 4.489 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCc1ccccc1 ZINC000000142439 564012105 /nfs/dbraw/zinc/01/21/05/564012105.db2.gz JYXXIAQUVKWFGD-UHFFFAOYSA-N 0 0 331.437 4.113 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000000183836 564012166 /nfs/dbraw/zinc/01/21/66/564012166.db2.gz RZGKBAHOCNQEHN-UHFFFAOYSA-N 0 0 338.190 4.422 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000000190949 564012182 /nfs/dbraw/zinc/01/21/82/564012182.db2.gz VDVLOMWCEXXWBQ-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C)c(C)c1 ZINC000000098199 564012268 /nfs/dbraw/zinc/01/22/68/564012268.db2.gz LACLMKSVEFRBBV-UHFFFAOYSA-N 0 0 331.437 4.411 50 0 EIAARN Cc1nc2ccccc2n1CCOc1ccc(Br)cc1 ZINC000000255365 564012303 /nfs/dbraw/zinc/01/23/03/564012303.db2.gz KTPHHVPYEAEAIG-UHFFFAOYSA-N 0 0 331.213 4.186 50 0 EIAARN Cc1ccc(-c2nnc(SC(=O)OCc3ccccc3)o2)cc1 ZINC000000272926 564012312 /nfs/dbraw/zinc/01/23/12/564012312.db2.gz XTTLRBCFFYDOOY-UHFFFAOYSA-N 0 0 326.377 4.474 50 0 EIAARN COC(=O)c1sccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000460581 564012665 /nfs/dbraw/zinc/01/26/65/564012665.db2.gz JZGINTNMHKJHNR-UHFFFAOYSA-N 0 0 337.400 4.454 50 0 EIAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cccc2ccccc21 ZINC000000472350 564012680 /nfs/dbraw/zinc/01/26/80/564012680.db2.gz AJBYHIBIPNRYTN-UHFFFAOYSA-N 0 0 325.433 4.363 50 0 EIAARN COc1ccc(Cl)c(NC(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000175670352 564013142 /nfs/dbraw/zinc/01/31/42/564013142.db2.gz YLMZDEVREKBHLS-UHFFFAOYSA-N 0 0 336.741 4.155 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1ccccc1C ZINC000017963401 564013441 /nfs/dbraw/zinc/01/34/41/564013441.db2.gz FOJPLXZFJGZFHJ-ZDUSSCGKSA-N 0 0 333.863 4.300 50 0 EIAARN Cc1cccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3C)no2)c1 ZINC000016577650 564014356 /nfs/dbraw/zinc/01/43/56/564014356.db2.gz IWMRNJDTLAZULV-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN CCCOP(=O)(OCCC)c1nc(-c2ccccc2)oc1NC ZINC000003147868 564014461 /nfs/dbraw/zinc/01/44/61/564014461.db2.gz GEZYBBNVPDHDQC-UHFFFAOYSA-N 0 0 338.344 4.055 50 0 EIAARN O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1Cl ZINC000585147967 564014747 /nfs/dbraw/zinc/01/47/47/564014747.db2.gz KVKUPCYLZKNRAW-KRWDZBQOSA-N 0 0 341.794 4.063 50 0 EIAARN CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000005682205 564018569 /nfs/dbraw/zinc/01/85/69/564018569.db2.gz RHZVYFJJRYCVMK-OXJNMPFZSA-N 0 0 339.435 4.307 50 0 EIAARN O=C(Nc1ccc(F)cc1F)N[C@H]1CCSc2c(F)cccc21 ZINC000018177595 564018576 /nfs/dbraw/zinc/01/85/76/564018576.db2.gz HOBTYAZKUZABAS-ZDUSSCGKSA-N 0 0 338.354 4.463 50 0 EIAARN Cc1ccn2cc(C(=O)N[C@@H](c3cccs3)c3ccccc3)nc2c1 ZINC000018211462 564018841 /nfs/dbraw/zinc/01/88/41/564018841.db2.gz KNSBRWPFTGEFCR-LJQANCHMSA-N 0 0 347.443 4.224 50 0 EIAARN Cc1cc(OCC(=O)Nc2ncccc2C)c(C(C)C)cc1Cl ZINC000018231227 564018911 /nfs/dbraw/zinc/01/89/11/564018911.db2.gz QQRZJQQNAIHBHN-UHFFFAOYSA-N 0 0 332.831 4.493 50 0 EIAARN COc1ccc(-c2nc3sc4c(c3c(N)n2)C[C@H](C)CC4)cc1 ZINC000000501094 564019029 /nfs/dbraw/zinc/01/90/29/564019029.db2.gz VSBYZMZUBFJLAP-SNVBAGLBSA-N 0 0 325.437 4.074 50 0 EIAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)CC)c1ccccc21 ZINC000000502308 564019090 /nfs/dbraw/zinc/01/90/90/564019090.db2.gz APCRKJOHJLOPIZ-UHFFFAOYSA-N 0 0 339.391 4.132 50 0 EIAARN CN(Cc1cccc(Cl)c1)C(=O)c1cc2ccccc2cc1O ZINC000012792895 564019173 /nfs/dbraw/zinc/01/91/73/564019173.db2.gz FHDOUECMMAVPBM-UHFFFAOYSA-N 0 0 325.795 4.471 50 0 EIAARN CC(=O)c1sc2ccccc2c1OC(=O)COc1ccccc1C ZINC000000503411 564019179 /nfs/dbraw/zinc/01/91/79/564019179.db2.gz RWWYMXXVVIUEEM-UHFFFAOYSA-N 0 0 340.400 4.397 50 0 EIAARN CO[C@H](C(=O)Nc1cc(-c2ccncc2)ccc1C)c1ccccc1 ZINC000101847178 564019572 /nfs/dbraw/zinc/01/95/72/564019572.db2.gz XGIVTAXGFBNFHM-FQEVSTJZSA-N 0 0 332.403 4.383 50 0 EIAARN COC(=O)c1sccc1NC(=O)c1cccc(Cl)c1Cl ZINC000013326480 564019697 /nfs/dbraw/zinc/01/96/97/564019697.db2.gz SCXMEZFKVKDKBI-UHFFFAOYSA-N 0 0 330.192 4.094 50 0 EIAARN O=C1c2ccccc2[C@@H]2N1c1ccccc1C(=O)N2c1ccccc1F ZINC000000507303 564019726 /nfs/dbraw/zinc/01/97/26/564019726.db2.gz OPFOISRQECIOAS-LJQANCHMSA-N 0 0 344.345 4.145 50 0 EIAARN CCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000000508124 564019823 /nfs/dbraw/zinc/01/98/23/564019823.db2.gz 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/nfs/dbraw/zinc/02/24/98/564022498.db2.gz NKECKSNFNCEJGU-NRFANRHFSA-N 0 0 326.403 4.485 50 0 EIAARN CCOc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1 ZINC000000547989 564022804 /nfs/dbraw/zinc/02/28/04/564022804.db2.gz VHNJNUIOCKWWAF-UHFFFAOYSA-N 0 0 345.406 4.266 50 0 EIAARN C[C@H]1C[C@H](Nc2ncnc3c2cnn3-c2ccccc2)CC(C)(C)C1 ZINC000000552499 564023019 /nfs/dbraw/zinc/02/30/19/564023019.db2.gz MOGCLMUWPUAISZ-GJZGRUSLSA-N 0 0 335.455 4.442 50 0 EIAARN Cc1ccccc1NC(=O)COC(=O)/C=C\c1ccc(C(C)C)cc1 ZINC000103740814 564023144 /nfs/dbraw/zinc/02/31/44/564023144.db2.gz UNXCQMTXZIHTEY-RAXLEYEMSA-N 0 0 337.419 4.314 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2nc3ccccc3s2)c(C)c1 ZINC000000570489 564023703 /nfs/dbraw/zinc/02/37/03/564023703.db2.gz SBQDYHUIGZFCQY-UHFFFAOYSA-N 0 0 341.461 4.040 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 ZINC000024577876 564024102 /nfs/dbraw/zinc/02/41/02/564024102.db2.gz RKTXNFKANLJIKA-KSSFIOAISA-N 0 0 342.439 4.186 50 0 EIAARN O=C(N1CCc2sc(Cl)cc2C1)C1(c2ccc(F)cc2)CC1 ZINC000566263932 564024172 /nfs/dbraw/zinc/02/41/72/564024172.db2.gz SKHKCPFKLDDBPU-UHFFFAOYSA-N 0 0 335.831 4.157 50 0 EIAARN Cc1cc(C)c(NC(=O)c2cncc(Br)c2)c(Cl)c1 ZINC000005749615 564025028 /nfs/dbraw/zinc/02/50/28/564025028.db2.gz OZZBCDDKGPBMLQ-UHFFFAOYSA-N 0 0 339.620 4.367 50 0 EIAARN O=C(CCCc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000047073678 564025666 /nfs/dbraw/zinc/02/56/66/564025666.db2.gz CJIWOOVLZZMZCR-IBGZPJMESA-N 0 0 333.435 4.249 50 0 EIAARN CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000047054025 564025684 /nfs/dbraw/zinc/02/56/84/564025684.db2.gz YKIUCGOOCLBMGN-KDOFPFPSSA-N 0 0 341.480 4.411 50 0 EIAARN CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000047054021 564025700 /nfs/dbraw/zinc/02/57/00/564025700.db2.gz YKIUCGOOCLBMGN-RDTXWAMCSA-N 0 0 341.480 4.411 50 0 EIAARN O=C(Cc1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000047165722 564025830 /nfs/dbraw/zinc/02/58/30/564025830.db2.gz DFNUCYOKDWZQCE-LJQANCHMSA-N 0 0 336.460 4.445 50 0 EIAARN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(F)cc3F)cc2F)n1 ZINC000047409216 564026242 /nfs/dbraw/zinc/02/62/42/564026242.db2.gz DJMBZYMWYDOBST-UHFFFAOYSA-N 0 0 345.324 4.159 50 0 EIAARN CSc1ccsc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000107130453 564026835 /nfs/dbraw/zinc/02/68/35/564026835.db2.gz RSJSKQYHFCVQON-GDBMZVCRSA-N 0 0 347.505 4.368 50 0 EIAARN Cc1ccccc1CNC(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044839361 564027365 /nfs/dbraw/zinc/02/73/65/564027365.db2.gz VFLSHEJQZXPJIF-UHFFFAOYSA-N 0 0 341.414 4.468 50 0 EIAARN O=C1CS[C@H](c2cccs2)c2cnn(-c3ccccc3)c2N1 ZINC000044921654 564027770 /nfs/dbraw/zinc/02/77/70/564027770.db2.gz NCMWNKHDVMHEBW-HNNXBMFYSA-N 0 0 327.434 4.358 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(COc3ccccc3)o2)[C@H]1C ZINC000108320446 564028099 /nfs/dbraw/zinc/02/80/99/564028099.db2.gz RSTUAYCZSBIHGT-VKJFTORMSA-N 0 0 327.424 4.413 50 0 EIAARN O=C(N[C@@H]1CCSc2ccccc21)N[C@H]1CCOc2ccccc21 ZINC000045552111 564028542 /nfs/dbraw/zinc/02/85/42/564028542.db2.gz USMNKRPVFNTAEV-JKSUJKDBSA-N 0 0 340.448 4.047 50 0 EIAARN C[C@@]1(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1(Cl)Cl ZINC000045621333 564028557 /nfs/dbraw/zinc/02/85/57/564028557.db2.gz UMSZDAMDNSEMDE-JTQLQIEISA-N 0 0 328.026 4.098 50 0 EIAARN CSc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000045941259 564028929 /nfs/dbraw/zinc/02/89/29/564028929.db2.gz HNLUMLDHGMVFGA-UHFFFAOYSA-N 0 0 343.839 4.500 50 0 EIAARN O=C1C(=O)N(Cc2ccncc2)[C@H](c2ccccc2)C1c1ccccc1 ZINC000045942736 564028967 /nfs/dbraw/zinc/02/89/67/564028967.db2.gz WPELUDIOCXJVRH-HXUWFJFHSA-N 0 0 342.398 4.134 50 0 EIAARN O=C1C(=O)N(Cc2ccncc2)[C@@H](c2ccccc2)C1c1ccccc1 ZINC000045942738 564028983 /nfs/dbraw/zinc/02/89/83/564028983.db2.gz WPELUDIOCXJVRH-FQEVSTJZSA-N 0 0 342.398 4.134 50 0 EIAARN CC(C)n1c(=O)oc2cc(NC(=O)Nc3ccc(F)cc3F)ccc21 ZINC000046010013 564029105 /nfs/dbraw/zinc/02/91/05/564029105.db2.gz LHAJTMNIPPPWMA-UHFFFAOYSA-N 0 0 347.321 4.098 50 0 EIAARN CCCn1c2ccc(NC(=O)Nc3ccc(CC)cc3)cc2oc1=O ZINC000046010205 564029122 /nfs/dbraw/zinc/02/91/22/564029122.db2.gz KOXXDISTHCATGB-UHFFFAOYSA-N 0 0 339.395 4.211 50 0 EIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000046018115 564029228 /nfs/dbraw/zinc/02/92/28/564029228.db2.gz XZUCQJBKGFMDLH-INIZCTEOSA-N 0 0 335.856 4.174 50 0 EIAARN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000046018183 564029240 /nfs/dbraw/zinc/02/92/40/564029240.db2.gz KLROHRXNURHTNM-ZDUSSCGKSA-N 0 0 341.885 4.236 50 0 EIAARN Fc1ccc(-c2nc(-c3ccnc(N4CCCCC4)c3)no2)cc1F ZINC000109568026 564029571 /nfs/dbraw/zinc/02/95/71/564029571.db2.gz MKNZNKOHHOTSJQ-UHFFFAOYSA-N 0 0 342.349 4.067 50 0 EIAARN C[C@@H](NC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c21)C1CC1 ZINC000048278571 564030655 /nfs/dbraw/zinc/03/06/55/564030655.db2.gz TVLSGHBQPHLEHI-GFCCVEGCSA-N 0 0 347.418 4.296 50 0 EIAARN CN(C)c1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)s1 ZINC000048310437 564030770 /nfs/dbraw/zinc/03/07/70/564030770.db2.gz XWVXTAFDHVMJEC-ATVHPVEESA-N 0 0 348.427 4.312 50 0 EIAARN Cc1nc(CNC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cs1 ZINC000048341336 564031234 /nfs/dbraw/zinc/03/12/34/564031234.db2.gz XXGPYCIOZDISEH-MEDUHNTESA-N 0 0 345.468 4.042 50 0 EIAARN CC[C@@H](NC(=O)C=Cc1ccc(F)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000048353728 564031304 /nfs/dbraw/zinc/03/13/04/564031304.db2.gz LHQDRRCTBZXEDB-LVMGUKCRSA-N 0 0 349.409 4.497 50 0 EIAARN COc1ncccc1CNc1nc(-c2cccs2)nc2ccccc21 ZINC000048345464 564031305 /nfs/dbraw/zinc/03/13/05/564031305.db2.gz JKDGJDUUTOADEG-UHFFFAOYSA-N 0 0 348.431 4.374 50 0 EIAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccn2)cc1 ZINC000048348478 564031339 /nfs/dbraw/zinc/03/13/39/564031339.db2.gz REFCIPSAJGIGRV-QGZVFWFLSA-N 0 0 325.412 4.239 50 0 EIAARN Nc1nnc(SCCCCOc2cccc(C(F)(F)F)c2)s1 ZINC000048355472 564031433 /nfs/dbraw/zinc/03/14/33/564031433.db2.gz VGXZDXRDYPANPC-UHFFFAOYSA-N 0 0 349.403 4.090 50 0 EIAARN CCc1ccc2c(CSc3nnc(C(C)(C)C)o3)cc(=O)oc2c1 ZINC000048367680 564031581 /nfs/dbraw/zinc/03/15/81/564031581.db2.gz LKPSIBULRPEMCE-UHFFFAOYSA-N 0 0 344.436 4.328 50 0 EIAARN CCCOc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C ZINC000005333183 564031972 /nfs/dbraw/zinc/03/19/72/564031972.db2.gz SDAWXWBLVIQNDN-UHFFFAOYSA-N 0 0 332.831 4.488 50 0 EIAARN CCSc1ccccc1C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 ZINC000049031091 564032458 /nfs/dbraw/zinc/03/24/58/564032458.db2.gz SFTAHPMGEAKFMX-UHFFFAOYSA-N 0 0 338.432 4.201 50 0 EIAARN O=C(Nc1scnc1-c1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000341694166 564033236 /nfs/dbraw/zinc/03/32/36/564033236.db2.gz HVCHZPCCLHDFKZ-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN Cc1nnc2c(Nc3ccc(F)cc3Cl)nc3ccccc3n12 ZINC000006781866 564033493 /nfs/dbraw/zinc/03/34/93/564033493.db2.gz IBGJCNSZKARQQI-UHFFFAOYSA-N 0 0 327.750 4.122 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)NCCCSc2ccc(F)cc2)c1 ZINC000024729528 564033601 /nfs/dbraw/zinc/03/36/01/564033601.db2.gz BTFWDAPKVXWFGS-HNNXBMFYSA-N 0 0 347.455 4.200 50 0 EIAARN COc1cccc(COc2ncnc3sc4c(c32)CCCC4)c1 ZINC000006941054 564033876 /nfs/dbraw/zinc/03/38/76/564033876.db2.gz NIFNVNQCMTXDMA-UHFFFAOYSA-N 0 0 326.421 4.158 50 0 EIAARN O=C1NC2(CCCCC2)[C@H]2CCCC[C@@]2(O)N1c1ccc(Cl)cc1 ZINC000012322821 564034082 /nfs/dbraw/zinc/03/40/82/564034082.db2.gz XVTCQWXQPXUOLT-APWZRJJASA-N 0 0 348.874 4.451 50 0 EIAARN O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1 ZINC000000800707 564034451 /nfs/dbraw/zinc/03/44/51/564034451.db2.gz MPGORUGZBCWFRF-UHFFFAOYSA-N 0 0 343.766 4.264 50 0 EIAARN O=C(NCCc1ccc(-c2ccoc2)s1)NCc1ccc(F)cc1 ZINC000390830286 564034962 /nfs/dbraw/zinc/03/49/62/564034962.db2.gz JYEVNOUYOGBJGV-UHFFFAOYSA-N 0 0 344.411 4.189 50 0 EIAARN COc1ccc(CC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000008279269 564035124 /nfs/dbraw/zinc/03/51/24/564035124.db2.gz XHJJGJUQRDZIDM-CYBMUJFWSA-N 0 0 340.448 4.067 50 0 EIAARN CC(=O)Nc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 ZINC000000818136 564035287 /nfs/dbraw/zinc/03/52/87/564035287.db2.gz FUTCEBZJUVAMEB-FQEVSTJZSA-N 0 0 332.407 4.098 50 0 EIAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n(CC(C)C)c1C ZINC000008478950 564035684 /nfs/dbraw/zinc/03/56/84/564035684.db2.gz LBOREKRMPXYMMC-AWEZNQCLSA-N 0 0 349.475 4.414 50 0 EIAARN CCCc1ccc(-c2ccc(C(=O)N3CC[C@H](COC)C3)cc2)cc1 ZINC000220667468 564035966 /nfs/dbraw/zinc/03/59/66/564035966.db2.gz GOIKSRPDXHFLJV-SFHVURJKSA-N 0 0 337.463 4.415 50 0 EIAARN CC1=C(CCN2CCn3nc([C@@H](O)C4CC4)cc3C2)C(C)(C)CCC1 ZINC000221379696 564036185 /nfs/dbraw/zinc/03/61/85/564036185.db2.gz MNRYTKBCZBGZAH-FQEVSTJZSA-N 0 0 343.515 4.059 50 0 EIAARN CSc1cccc(N2C(=O)CC(c3ccc(Cl)cc3)CC2=O)c1 ZINC000032985340 564036339 /nfs/dbraw/zinc/03/63/39/564036339.db2.gz IKSPHJMHTXZCLI-UHFFFAOYSA-N 0 0 345.851 4.499 50 0 EIAARN Cc1cccc(Nc2nc(N)c(C(=O)c3ccc(F)cc3)s2)c1 ZINC000033251781 564036588 /nfs/dbraw/zinc/03/65/88/564036588.db2.gz WCTOQGLRFYOJLS-UHFFFAOYSA-N 0 0 327.384 4.147 50 0 EIAARN FC(F)(F)c1cnc(N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000025177800 564036878 /nfs/dbraw/zinc/03/68/78/564036878.db2.gz ADJXZKMSVNZGBH-UHFFFAOYSA-N 0 0 341.764 4.080 50 0 EIAARN CCN(Cc1cnn(C)c1)C(=O)c1csc(C)c1-c1ccccc1 ZINC000223347466 564039621 /nfs/dbraw/zinc/03/96/21/564039621.db2.gz HPVTVWZXMYGBEB-UHFFFAOYSA-N 0 0 339.464 4.119 50 0 EIAARN COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1C(=O)[O-] ZINC000223472705 564040151 /nfs/dbraw/zinc/04/01/51/564040151.db2.gz YOJOKYAMRIMASD-GOSISDBHSA-N 0 0 325.408 4.039 50 0 EIAARN CC(C)c1nccn1CCCNC(=O)c1cccc(-c2ccco2)c1 ZINC000223504916 564040308 /nfs/dbraw/zinc/04/03/08/564040308.db2.gz OWAWJLUNPZJYJD-UHFFFAOYSA-N 0 0 337.423 4.087 50 0 EIAARN CSc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)cc1F ZINC000225416320 564046535 /nfs/dbraw/zinc/04/65/35/564046535.db2.gz NKVLSKBKFRWAPI-UHFFFAOYSA-N 0 0 341.411 4.294 50 0 EIAARN COc1cccc(Cl)c1C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000225414640 564046544 /nfs/dbraw/zinc/04/65/44/564046544.db2.gz UOQBEADSSSSOIW-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN CN(Cc1cc2ccccc2o1)C(=O)[C@H]1CCCN1c1ccccc1 ZINC000225591665 564048098 /nfs/dbraw/zinc/04/80/98/564048098.db2.gz ONYFXWKNVGHYKR-LJQANCHMSA-N 0 0 334.419 4.060 50 0 EIAARN COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1C(=O)[O-] ZINC000230588451 564051138 /nfs/dbraw/zinc/05/11/38/564051138.db2.gz YOJOKYAMRIMASD-SFHVURJKSA-N 0 0 325.408 4.039 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000120697593 564051356 /nfs/dbraw/zinc/05/13/56/564051356.db2.gz RPWPRSKWRFUDOJ-KRWDZBQOSA-N 0 0 337.467 4.434 50 0 EIAARN CC(C)[C@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2)no1 ZINC000238900550 564051524 /nfs/dbraw/zinc/05/15/24/564051524.db2.gz JMTYYNRLUBXXTC-INIZCTEOSA-N 0 0 339.370 4.003 50 0 EIAARN CCn1ccc(CN(C)C(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000239807535 564051733 /nfs/dbraw/zinc/05/17/33/564051733.db2.gz CSUSUHGGDUKFHT-CQSZACIVSA-N 0 0 325.412 4.157 50 0 EIAARN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1nc2ccccc2s1 ZINC000241277693 564051926 /nfs/dbraw/zinc/05/19/26/564051926.db2.gz LIJLJZKPKBZBHI-NSHDSACASA-N 0 0 343.374 4.491 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)o1 ZINC000005798940 564052230 /nfs/dbraw/zinc/05/22/30/564052230.db2.gz MVOHJNGKJHXFJN-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1ccccc1Cl ZINC000225604324 564052380 /nfs/dbraw/zinc/05/23/80/564052380.db2.gz VVDUXHKDUATKFJ-LBPRGKRZSA-N 0 0 330.815 4.028 50 0 EIAARN Cc1cc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2C)ccc1F ZINC000086012810 564053078 /nfs/dbraw/zinc/05/30/78/564053078.db2.gz WNBRSPBCGSIBLB-OAQYLSRUSA-N 0 0 348.421 4.489 50 0 EIAARN Cc1nc(C(=O)Nc2ccc(C)cc2C)nn1-c1cccc(Cl)c1 ZINC000252483550 564053342 /nfs/dbraw/zinc/05/33/42/564053342.db2.gz FEPFZLQPEZJDIS-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN c1ccc([C@@H]2[C@@H]3N2[C@@H](c2ccccc2)N2O[C@@]32c2ccccc2)cc1 ZINC000252489076 564053420 /nfs/dbraw/zinc/05/34/20/564053420.db2.gz JEKWBADSIIAEGZ-VRXJECTGSA-N 0 0 326.399 4.225 50 0 EIAARN CCSCCC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000252490761 564053459 /nfs/dbraw/zinc/05/34/59/564053459.db2.gz LAKOVHPWGDNPHI-KRWDZBQOSA-N 0 0 334.872 4.084 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cn1 ZINC000025154553 564053641 /nfs/dbraw/zinc/05/36/41/564053641.db2.gz WOBZYCOJDUWCPJ-UHFFFAOYSA-N 0 0 346.390 4.286 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12 ZINC000000986623 564053882 /nfs/dbraw/zinc/05/38/82/564053882.db2.gz LMWJZIYIFBIHIV-UHFFFAOYSA-N 0 0 346.430 4.237 50 0 EIAARN Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001011164 564054088 /nfs/dbraw/zinc/05/40/88/564054088.db2.gz RMAWHYXMHFKRNK-MHWRWJLKSA-N 0 0 327.380 4.371 50 0 EIAARN CCOc1ccc(/C=C2/SC(=O)N(CC(C)C)C2=O)cc1OCC ZINC000001012634 564054096 /nfs/dbraw/zinc/05/40/96/564054096.db2.gz IVJMYIBZQAZFPZ-MHWRWJLKSA-N 0 0 349.452 4.176 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257345961 564055845 /nfs/dbraw/zinc/05/58/45/564055845.db2.gz NTIDOCUQWIFRTK-GNFVNJEZSA-N 0 0 334.500 4.179 50 0 EIAARN C[C@]12CCC[C@@H]1[C@@H]1C[C@H](O)[C@H]3CC4(CC[C@@]3(C)[C@H]1CC2)OCCO4 ZINC000257345756 564055852 /nfs/dbraw/zinc/05/58/52/564055852.db2.gz IDOHVJIGNBUAFN-SLOHPKBISA-N 0 0 334.500 4.133 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3C[C@H](O)[C@H]2C1 ZINC000257345812 564055864 /nfs/dbraw/zinc/05/58/64/564055864.db2.gz JPOWGZUAPKSQIG-QAQJGFNQSA-N 0 0 334.500 4.322 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCC5(C[C@@]43C)OCCO5)[C@H]1CC[C@H]2O ZINC000257346069 564055894 /nfs/dbraw/zinc/05/58/94/564055894.db2.gz QDULKIPGHAIXOR-FLIUJYPFSA-N 0 0 334.500 4.133 50 0 EIAARN CCCCCSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000005867461 564056736 /nfs/dbraw/zinc/05/67/36/564056736.db2.gz CUVZURZWYLHSSO-UHFFFAOYSA-N 0 0 342.468 4.420 50 0 EIAARN O=C(OCc1ccc2c(c1)OCCO2)c1occc1-c1ccccc1 ZINC000063239579 564056828 /nfs/dbraw/zinc/05/68/28/564056828.db2.gz DVAXCHJVMXEVOK-UHFFFAOYSA-N 0 0 336.343 4.075 50 0 EIAARN Cc1ccc(-c2nc(SCC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000005968844 564057343 /nfs/dbraw/zinc/05/73/43/564057343.db2.gz WMERLQVUKZOXLM-UHFFFAOYSA-N 0 0 343.839 4.409 50 0 EIAARN CCOc1cccc([C@H](C)NC(=O)Nc2ccccc2COC)c1 ZINC000063391300 564057352 /nfs/dbraw/zinc/05/73/52/564057352.db2.gz JVBRSGHKZAHKTF-AWEZNQCLSA-N 0 0 328.412 4.114 50 0 EIAARN COc1ccc(C(C)=O)cc1COC(=O)c1csc2c1CCCC2 ZINC000005968135 564057364 /nfs/dbraw/zinc/05/73/64/564057364.db2.gz XQJCTVBYHCEUHH-UHFFFAOYSA-N 0 0 344.432 4.195 50 0 EIAARN O=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)c(F)c1 ZINC000005978634 564057395 /nfs/dbraw/zinc/05/73/95/564057395.db2.gz ZLCPXDQYUGGYRF-UHFFFAOYSA-N 0 0 338.360 4.051 50 0 EIAARN Cc1ccc2c(COC(=O)c3cccc(Cl)c3)cc(=O)oc2c1C ZINC000005980979 564057444 /nfs/dbraw/zinc/05/74/44/564057444.db2.gz KFQVRARQOCUYBQ-UHFFFAOYSA-N 0 0 342.778 4.420 50 0 EIAARN Cc1cc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)nc(C(C)C)n1 ZINC000063439972 564057457 /nfs/dbraw/zinc/05/74/57/564057457.db2.gz HZVNBZNIMLQQIL-UHFFFAOYSA-N 0 0 343.475 4.236 50 0 EIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCC2CCCCC2)c1 ZINC000005987196 564057460 /nfs/dbraw/zinc/05/74/60/564057460.db2.gz RMPUNTKXKDXXEU-OAHLLOKOSA-N 0 0 345.439 4.120 50 0 EIAARN Cc1noc(C)c1NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000063447550 564057492 /nfs/dbraw/zinc/05/74/92/564057492.db2.gz MGEPMUBTSNVFLH-UHFFFAOYSA-N 0 0 349.749 4.300 50 0 EIAARN Cc1ccc(SCC(=O)NCCSCc2cccc(C)c2)cc1 ZINC000006031380 564057706 /nfs/dbraw/zinc/05/77/06/564057706.db2.gz SBLDBWAVBQFEIC-UHFFFAOYSA-N 0 0 345.533 4.445 50 0 EIAARN Fc1cc2cccnc2c(CSc2nnc(NC3CC3)s2)c1 ZINC000031617202 564057812 /nfs/dbraw/zinc/05/78/12/564057812.db2.gz RLKNOVISXYNOMM-UHFFFAOYSA-N 0 0 332.429 4.092 50 0 EIAARN Cc1n[nH]c(C)c1NC(=O)Nc1ccc(Br)cc1Cl ZINC000075410199 564058044 /nfs/dbraw/zinc/05/80/44/564058044.db2.gz BUKDALKBVYKQIY-UHFFFAOYSA-N 0 0 343.612 4.086 50 0 EIAARN CCS(=O)(=O)c1ccc2oc(Nc3cccc(C(C)C)c3)nc2c1 ZINC000012539850 564058542 /nfs/dbraw/zinc/05/85/42/564058542.db2.gz ZSDFUCWZVRGKJZ-UHFFFAOYSA-N 0 0 344.436 4.488 50 0 EIAARN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000012540527 564058642 /nfs/dbraw/zinc/05/86/42/564058642.db2.gz MEESDVCXDOAKFL-JTQLQIEISA-N 0 0 333.313 4.073 50 0 EIAARN O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@H]1c1cccs1 ZINC000012541494 564058672 /nfs/dbraw/zinc/05/86/72/564058672.db2.gz OCMHSUOAVFSELN-HNNXBMFYSA-N 0 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C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1[C@H](C)CC ZINC000012683520 564062631 /nfs/dbraw/zinc/06/26/31/564062631.db2.gz LEBQMMBJJZMGTI-CQSZACIVSA-N 0 0 334.419 4.265 50 0 EIAARN CSc1cccc([C@@H](NCc2ncc[nH]2)c2ccc(F)c(F)c2)c1 ZINC000344756368 564062727 /nfs/dbraw/zinc/06/27/27/564062727.db2.gz IBVUKOOYSSHPHX-GOSISDBHSA-N 0 0 345.418 4.289 50 0 EIAARN COc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3[nH]2)cc1 ZINC000001277343 564062869 /nfs/dbraw/zinc/06/28/69/564062869.db2.gz NJHOYSFFBCAAIN-UHFFFAOYSA-N 0 0 333.347 4.084 50 0 EIAARN COc1ccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000001302652 564063075 /nfs/dbraw/zinc/06/30/75/564063075.db2.gz JQNCDMBJULTQIN-UHFFFAOYSA-N 0 0 340.408 4.166 50 0 EIAARN COCc1cc(Oc2cccc(C(F)(F)F)c2)nc(SC)n1 ZINC000001389098 564064342 /nfs/dbraw/zinc/06/43/42/564064342.db2.gz ZIOLYSPLZNNJBT-UHFFFAOYSA-N 0 0 330.331 4.156 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)c1ccco1 ZINC000001390499 564064504 /nfs/dbraw/zinc/06/45/04/564064504.db2.gz WBLLFEUZKJOYFP-UHFFFAOYSA-N 0 0 332.812 4.295 50 0 EIAARN O=S1(=O)CC[C@H](Sc2cccc(Cl)c2)c2ccsc21 ZINC000001398522 564064796 /nfs/dbraw/zinc/06/47/96/564064796.db2.gz ZHLFEWUUGCFYHD-LBPRGKRZSA-N 0 0 330.883 4.412 50 0 EIAARN O=S1(=O)CC[C@H](Sc2ccc(Cl)cc2)c2ccsc21 ZINC000001398479 564064815 /nfs/dbraw/zinc/06/48/15/564064815.db2.gz BNWFRHILKFJGNX-LBPRGKRZSA-N 0 0 330.883 4.412 50 0 EIAARN FC(F)(F)c1cccc(CSc2ccc3nnc(Cl)n3n2)c1 ZINC000001395686 564064866 /nfs/dbraw/zinc/06/48/66/564064866.db2.gz XJVRNMDIBMURDE-UHFFFAOYSA-N 0 0 344.749 4.089 50 0 EIAARN Cc1ccc(NC(=O)n2ccc(-c3ccc(-n4ccnc4)cc3)n2)cc1 ZINC000001402344 564065095 /nfs/dbraw/zinc/06/50/95/564065095.db2.gz MIPNUAYDWAOZHA-UHFFFAOYSA-N 0 0 343.390 4.124 50 0 EIAARN O=C(O[C@@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1cccs1 ZINC000001406544 564065227 /nfs/dbraw/zinc/06/52/27/564065227.db2.gz XEAIMZYXBXPQHV-XOQYZJNISA-N 0 0 343.423 4.179 50 0 EIAARN CCc1ccccc1OCC(=O)Oc1ccc(C)cc1Br ZINC000000131303 564065363 /nfs/dbraw/zinc/06/53/63/564065363.db2.gz ITTUGNAGFCKMMI-UHFFFAOYSA-N 0 0 349.224 4.304 50 0 EIAARN Cc1nn(C)cc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)c(C)s1 ZINC000002765337 564065688 /nfs/dbraw/zinc/06/56/88/564065688.db2.gz MYFYHBPQVIMONN-UHFFFAOYSA-N 0 0 340.452 4.030 50 0 EIAARN Cc1c([C@@H](C)NC(=S)Nc2cc(Cl)ccc2Cl)cnn1C ZINC000002782196 564065718 /nfs/dbraw/zinc/06/57/18/564065718.db2.gz WEGWMWBNUHRPAT-MRVPVSSYSA-N 0 0 343.283 4.083 50 0 EIAARN Cc1c([C@@H](C)Nc2cnc3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000084044894 564065881 /nfs/dbraw/zinc/06/58/81/564065881.db2.gz GOVANQYGGSBTGI-CYBMUJFWSA-N 0 0 347.397 4.436 50 0 EIAARN CN(C)c1ccc(C(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000012747893 564065933 /nfs/dbraw/zinc/06/59/33/564065933.db2.gz IQWCYWMBSMDYBP-LJQANCHMSA-N 0 0 336.460 4.334 50 0 EIAARN Cc1cc(C)n(-c2ccc(NC(=O)C=C(C3CC3)C3CC3)cc2F)n1 ZINC000084105044 564066484 /nfs/dbraw/zinc/06/64/84/564066484.db2.gz QUEAINXLTVTTQW-UHFFFAOYSA-N 0 0 339.414 4.313 50 0 EIAARN CCOc1ccc(Cc2noc3c2C(=O)CC(C)(C)C3)cc1OCC ZINC000001423528 564066670 /nfs/dbraw/zinc/06/66/70/564066670.db2.gz 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/nfs/dbraw/zinc/06/75/99/564067599.db2.gz MHDARBNQWJDYIM-NSHDSACASA-N 0 0 336.482 4.145 50 0 EIAARN Cn1c(C(=O)Nc2ccc(NC3CCOCC3)cc2)cc2ccccc21 ZINC000084313912 564067761 /nfs/dbraw/zinc/06/77/61/564067761.db2.gz LDEGUGRRKBTVRV-UHFFFAOYSA-N 0 0 349.434 4.022 50 0 EIAARN O=C(Nc1ccc2c(c1)oc1ccccc12)N1CC[C@]2(CCOC2)C1 ZINC000084594605 564068857 /nfs/dbraw/zinc/06/88/57/564068857.db2.gz IXQNQENNQWDEPJ-FQEVSTJZSA-N 0 0 336.391 4.230 50 0 EIAARN CSc1ccc(NC(=O)c2cccc(-c3nnc(C)o3)c2)cc1F ZINC000074030162 564068989 /nfs/dbraw/zinc/06/89/89/564068989.db2.gz REWNCJOGAZAIER-UHFFFAOYSA-N 0 0 343.383 4.158 50 0 EIAARN O=C(Nc1ccccc1-c1cccs1)[C@H]1COc2ccccc2O1 ZINC000012775429 564069289 /nfs/dbraw/zinc/06/92/89/564069289.db2.gz QYFHVJCPKLCYMW-QGZVFWFLSA-N 0 0 337.400 4.194 50 0 EIAARN CC(=O)Nc1c(C)cc(NC(=O)CCO[C@H](C)CC(C)C)cc1C ZINC000087374986 564069488 /nfs/dbraw/zinc/06/94/88/564069488.db2.gz OAHVLFFLOAAKSQ-OAHLLOKOSA-N 0 0 334.460 4.042 50 0 EIAARN O=C(c1ccc2ccccc2c1)N(CC(F)(F)F)[C@H]1CCCOC1 ZINC000087389823 564069692 /nfs/dbraw/zinc/06/96/92/564069692.db2.gz JUJCERULXVTZDW-INIZCTEOSA-N 0 0 337.341 4.023 50 0 EIAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc2onc(C)c2c1 ZINC000084734526 564069854 /nfs/dbraw/zinc/06/98/54/564069854.db2.gz MAFGBGBKQOLHHM-PKOBYXMFSA-N 0 0 349.434 4.330 50 0 EIAARN CCC[C@H]1CCc2nc(NC(=O)c3cc(C4CC4)on3)sc2C1 ZINC000084740803 564069998 /nfs/dbraw/zinc/06/99/98/564069998.db2.gz SOZGQPCCLJBKNT-JTQLQIEISA-N 0 0 331.441 4.166 50 0 EIAARN Fc1ccc(-c2nn(-c3ccccc3)cc2CNc2ncccn2)cc1 ZINC000012784042 564070183 /nfs/dbraw/zinc/07/01/83/564070183.db2.gz BONYGPDPULXHKF-UHFFFAOYSA-N 0 0 345.381 4.081 50 0 EIAARN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032416180 564070255 /nfs/dbraw/zinc/07/02/55/564070255.db2.gz OTBWSBUAAPVIJB-QZTJIDSGSA-N 0 0 342.483 4.148 50 0 EIAARN Cc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)c(C)c1 ZINC000015669576 564070408 /nfs/dbraw/zinc/07/04/08/564070408.db2.gz DEAWRXKDBWDDMX-UHFFFAOYSA-N 0 0 341.436 4.376 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(N3CCCC[C@H]3C)s2)c(C)c1 ZINC000015671716 564070460 /nfs/dbraw/zinc/07/04/60/564070460.db2.gz BQGRCUJKQZGOIQ-CYBMUJFWSA-N 0 0 345.472 4.178 50 0 EIAARN CN(C(=O)c1noc2c1CSc1ccccc1-2)c1ccccc1F ZINC000015673948 564070542 /nfs/dbraw/zinc/07/05/42/564070542.db2.gz SSCVIPVFIVOZJE-UHFFFAOYSA-N 0 0 340.379 4.363 50 0 EIAARN CCCCN(C)C(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000015679097 564070661 /nfs/dbraw/zinc/07/06/61/564070661.db2.gz HGOJOFDEDFZSMQ-UHFFFAOYSA-N 0 0 343.446 4.288 50 0 EIAARN CCC[C@@H](C(=O)Nc1ccc(Cl)cc1)N1Cc2ccccc2C1=O ZINC000015679160 564070722 /nfs/dbraw/zinc/07/07/22/564070722.db2.gz XMCSLXKPXXNQGY-KRWDZBQOSA-N 0 0 342.826 4.103 50 0 EIAARN CCOc1ccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)cc1 ZINC000006047679 564072721 /nfs/dbraw/zinc/07/27/21/564072721.db2.gz OGDWYVKRUCMQOP-WJDWOHSUSA-N 0 0 327.767 4.083 50 0 EIAARN Cc1ccc(-n2ccnc(NCc3ccccc3Cl)c2=O)cc1C ZINC000015732404 564072724 /nfs/dbraw/zinc/07/27/24/564072724.db2.gz QNNWYWDQSWMOTO-UHFFFAOYSA-N 0 0 339.826 4.115 50 0 EIAARN O=C(Cc1ccc(F)cc1)N1CCC(CSCc2ccco2)CC1 ZINC000085472429 564073447 /nfs/dbraw/zinc/07/34/47/564073447.db2.gz ZMIYSSWFSTVRKS-UHFFFAOYSA-N 0 0 347.455 4.133 50 0 EIAARN COc1ccc(CNC(=O)c2c(C)c(C)sc2-n2cccc2)cc1 ZINC000006084204 564073638 /nfs/dbraw/zinc/07/36/38/564073638.db2.gz LJCUPVQPSAYEQZ-UHFFFAOYSA-N 0 0 340.448 4.094 50 0 EIAARN O=C(C[C@@H](c1ccco1)n1cccc1)Nc1ccc(Cl)cc1F ZINC000015771055 564073709 /nfs/dbraw/zinc/07/37/09/564073709.db2.gz SRTKOSRJHUNPQM-HNNXBMFYSA-N 0 0 332.762 4.492 50 0 EIAARN Cc1c(C[NH2+]C2CCCCC2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000015777240 564073853 /nfs/dbraw/zinc/07/38/53/564073853.db2.gz DGSOVIQKGCEATJ-UHFFFAOYSA-N 0 0 340.467 4.274 50 0 EIAARN Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc3ccccn32)cc1C ZINC000006114978 564074355 /nfs/dbraw/zinc/07/43/55/564074355.db2.gz UXXMITXRAJCETK-AWEZNQCLSA-N 0 0 325.437 4.018 50 0 EIAARN O=C(Cc1ccc2ccccc2c1)NCc1ccccc1OC(F)F ZINC000012825536 564075079 /nfs/dbraw/zinc/07/50/79/564075079.db2.gz OPOHOPXOUAXEEG-UHFFFAOYSA-N 0 0 341.357 4.300 50 0 EIAARN COc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 ZINC000001516400 564075231 /nfs/dbraw/zinc/07/52/31/564075231.db2.gz FABBCQPEOMBGST-UHFFFAOYSA-N 0 0 346.358 4.349 50 0 EIAARN Cc1ncc(CNC(=O)N([C@H](C)c2ccccc2F)C2CC2)s1 ZINC000086371472 564075545 /nfs/dbraw/zinc/07/55/45/564075545.db2.gz VGHNFKMJJFYEFQ-LLVKDONJSA-N 0 0 333.432 4.026 50 0 EIAARN Cc1sc2ncnc(NCc3ccccc3Cn3cccn3)c2c1C ZINC000012857837 564075595 /nfs/dbraw/zinc/07/55/95/564075595.db2.gz VJLSALCRIVDIQE-UHFFFAOYSA-N 0 0 349.463 4.165 50 0 EIAARN CC[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1c(C)nn(C)c1C ZINC000086425601 564075664 /nfs/dbraw/zinc/07/56/64/564075664.db2.gz FRSIQIJMDMNPPH-CZUORRHYSA-N 0 0 344.459 4.016 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C#N)c2ccccc2-c2ccccc2)cc1 ZINC000000400582 564076000 /nfs/dbraw/zinc/07/60/00/564076000.db2.gz IZIVXHPUFXXKCA-UHFFFAOYSA-N 0 0 348.427 4.338 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccccc1C(F)(F)F ZINC000012870914 564076380 /nfs/dbraw/zinc/07/63/80/564076380.db2.gz OKUUBVMODKNIHX-UHFFFAOYSA-N 0 0 348.324 4.085 50 0 EIAARN C[Si](C)(C)[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)C ZINC000169816778 564076394 /nfs/dbraw/zinc/07/63/94/564076394.db2.gz JJJKROZNVLOJHB-UHFFFAOYSA-N 0 0 328.680 4.083 50 0 EIAARN COc1cc(OC)c(OC)cc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000015837207 564076454 /nfs/dbraw/zinc/07/64/54/564076454.db2.gz ZENDTUCTLSEFLF-KRWDZBQOSA-N 0 0 345.414 4.189 50 0 EIAARN Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(F)cc2)s1 ZINC000015840079 564076639 /nfs/dbraw/zinc/07/66/39/564076639.db2.gz AZISJEJOQLJZMD-UHFFFAOYSA-N 0 0 346.452 4.178 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)Cc1ccccc1Cl ZINC000006153865 564076822 /nfs/dbraw/zinc/07/68/22/564076822.db2.gz KVFNOPNXVZCHLQ-UHFFFAOYSA-N 0 0 327.815 4.281 50 0 EIAARN Cc1cccc(NC(=O)CN(C)Cc2ccc(F)cc2Cl)c1C ZINC000012883125 564077451 /nfs/dbraw/zinc/07/74/51/564077451.db2.gz LRDWERAXTCIXDZ-UHFFFAOYSA-N 0 0 334.822 4.166 50 0 EIAARN CCc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(C)c3)c2)cc1 ZINC000015883069 564077455 /nfs/dbraw/zinc/07/74/55/564077455.db2.gz CZJDMMWMTKPNPQ-UHFFFAOYSA-N 0 0 346.430 4.020 50 0 EIAARN Cc1ccccc1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 ZINC000012887217 564077484 /nfs/dbraw/zinc/07/74/84/564077484.db2.gz WBPNPWQCOQEDMK-UHFFFAOYSA-N 0 0 346.833 4.391 50 0 EIAARN C[C@@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012887798 564077510 /nfs/dbraw/zinc/07/75/10/564077510.db2.gz KZWZZKAVSJJINW-INIZCTEOSA-N 0 0 345.446 4.194 50 0 EIAARN CC(C)c1ccc([C@@H](O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000012894731 564077625 /nfs/dbraw/zinc/07/76/25/564077625.db2.gz JMEOAOMQOWGGPM-KRWDZBQOSA-N 0 0 343.496 4.440 50 0 EIAARN CSc1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000012895845 564077643 /nfs/dbraw/zinc/07/76/43/564077643.db2.gz RARASQHUHFZHEP-UHFFFAOYSA-N 0 0 345.449 4.091 50 0 EIAARN Cc1c(Cl)cccc1NCC(=O)N1CCSc2ccccc21 ZINC000012899462 564077674 /nfs/dbraw/zinc/07/76/74/564077674.db2.gz UOZKSYDDHJVHCG-UHFFFAOYSA-N 0 0 332.856 4.199 50 0 EIAARN COc1ccc(-c2nc(NC(=O)C[C@H]3C=CCC3)sc2C)cc1 ZINC000012900795 564077702 /nfs/dbraw/zinc/07/77/02/564077702.db2.gz WUMSVHQTXOROSD-ZDUSSCGKSA-N 0 0 328.437 4.422 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCCCCC1 ZINC000012905488 564077789 /nfs/dbraw/zinc/07/77/89/564077789.db2.gz YWRKTUXOLFAQFO-UHFFFAOYSA-N 0 0 329.419 4.081 50 0 EIAARN C[C@@H](CCc1ccco1)NC(=O)COc1ccc(Cl)cc1Cl ZINC000012911701 564077922 /nfs/dbraw/zinc/07/79/22/564077922.db2.gz YDWLUFZFHJNEMF-NSHDSACASA-N 0 0 342.222 4.103 50 0 EIAARN C[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1Cl ZINC000012926668 564078513 /nfs/dbraw/zinc/07/85/13/564078513.db2.gz WIVJBYVXXYHBGN-STQMWFEESA-N 0 0 348.899 4.198 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)c(OC)c1 ZINC000012927899 564078584 /nfs/dbraw/zinc/07/85/84/564078584.db2.gz BYUAEFZJJUXZET-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN CCc1c(C(=O)N[C@H](C)c2ccc(C)c(F)c2)[nH]c(C)c1C(C)=O ZINC000088253135 564078692 /nfs/dbraw/zinc/07/86/92/564078692.db2.gz IXGYKVVLMPPECP-LLVKDONJSA-N 0 0 330.403 4.027 50 0 EIAARN Cc1nc(C(C)C)c(C(=O)NCCc2c[nH]c3ccccc23)s1 ZINC000074629228 564078893 /nfs/dbraw/zinc/07/88/93/564078893.db2.gz ZVMAQQWXLSORNQ-UHFFFAOYSA-N 0 0 327.453 4.029 50 0 biogenic EIAARN O=C(NCCCOCC1CC1)c1ccc(Oc2ccccc2)cc1 ZINC000012932915 564078927 /nfs/dbraw/zinc/07/89/27/564078927.db2.gz HOXDBYYUYHZLJG-UHFFFAOYSA-N 0 0 325.408 4.025 50 0 EIAARN O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccsc1 ZINC000012935324 564079224 /nfs/dbraw/zinc/07/92/24/564079224.db2.gz ONMLNCZBCREQHD-UHFFFAOYSA-N 0 0 341.461 4.020 50 0 EIAARN O=C(Cc1csc(-c2ccsc2)n1)N[C@@H]1CCCc2occc21 ZINC000012936458 564079310 /nfs/dbraw/zinc/07/93/10/564079310.db2.gz IKOYYOHUKKXUCM-CQSZACIVSA-N 0 0 344.461 4.201 50 0 EIAARN CC[C@H](C)[C@@H](NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000575443036 564079438 /nfs/dbraw/zinc/07/94/38/564079438.db2.gz DTIMJGYGBDYIEF-KBXCAEBGSA-N 0 0 336.439 4.150 50 0 EIAARN O=C(CSc1nnc(CC2CCCC2)[nH]1)c1ccc2c(c1)CCC2 ZINC000012950336 564080156 /nfs/dbraw/zinc/08/01/56/564080156.db2.gz HVZPFXDIHNSOGL-UHFFFAOYSA-N 0 0 341.480 4.001 50 0 EIAARN O=C(NCC1(c2cccs2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000075170125 564081014 /nfs/dbraw/zinc/08/10/14/564081014.db2.gz KAVKTXLVXVSXIS-UHFFFAOYSA-N 0 0 341.354 4.108 50 0 EIAARN O=C([C@@H]1CC=CCC1)N(CCc1cccs1)Cc1cccnc1 ZINC000075170157 564081029 /nfs/dbraw/zinc/08/10/29/564081029.db2.gz OBRJFOUEFWWQIO-QGZVFWFLSA-N 0 0 326.465 4.071 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1cnc(Oc2ccccc2F)nc1 ZINC000075172131 564081066 /nfs/dbraw/zinc/08/10/66/564081066.db2.gz XQGOALZPLIOMLQ-ZHACJKMWSA-N 0 0 335.338 4.060 50 0 EIAARN Cc1cccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)n1 ZINC000075260334 564081260 /nfs/dbraw/zinc/08/12/60/564081260.db2.gz IAKDXIHHCOHWRI-IBGZPJMESA-N 0 0 328.415 4.335 50 0 EIAARN Cc1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)n1 ZINC000075260335 564081289 /nfs/dbraw/zinc/08/12/89/564081289.db2.gz IAKDXIHHCOHWRI-LJQANCHMSA-N 0 0 328.415 4.335 50 0 EIAARN Cc1c(NCc2nnsc2Cl)cccc1OCC(F)(F)F ZINC000089104626 564081365 /nfs/dbraw/zinc/08/13/65/564081365.db2.gz FAGCSEPUFWMKBR-UHFFFAOYSA-N 0 0 337.754 4.053 50 0 EIAARN O=C(C[C@H]1C=CCC1)Nc1ccccc1NCc1nnsc1Cl ZINC000089105007 564081367 /nfs/dbraw/zinc/08/13/67/564081367.db2.gz JZQDSWHKGGIVOT-NSHDSACASA-N 0 0 348.859 4.098 50 0 EIAARN Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)NC1CCCC1 ZINC000075330305 564081857 /nfs/dbraw/zinc/08/18/57/564081857.db2.gz JEASROQITBJMNR-UHFFFAOYSA-N 0 0 344.480 4.320 50 0 EIAARN O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1ccc(-c2ccccc2)cc1 ZINC000063849455 564081858 /nfs/dbraw/zinc/08/18/58/564081858.db2.gz LJSADSNUVDTLSB-LJQANCHMSA-N 0 0 342.398 4.418 50 0 EIAARN COc1ccccc1[C@@H](C)N(C)CC(=O)Nc1cccc(SC)c1 ZINC000026332927 564081892 /nfs/dbraw/zinc/08/18/92/564081892.db2.gz RYPQMSHKSSAJKT-CQSZACIVSA-N 0 0 344.480 4.049 50 0 EIAARN CCCCC(=O)Nc1cc(-c2cc3c(cccc3OC)n2CC)[nH]n1 ZINC000075332733 564081904 /nfs/dbraw/zinc/08/19/04/564081904.db2.gz NVDJISSXGJGPDV-UHFFFAOYSA-N 0 0 340.427 4.189 50 0 EIAARN CCCCC[C@H](C)NC(=O)c1cccnc1SCc1cc(C)on1 ZINC000026361680 564081986 /nfs/dbraw/zinc/08/19/86/564081986.db2.gz UULFRBITMVBRGB-ZDUSSCGKSA-N 0 0 347.484 4.369 50 0 EIAARN CC(=O)c1cccc(NC(=O)Nc2ccn(Cc3cccc(C)c3)n2)c1 ZINC000027916353 564082091 /nfs/dbraw/zinc/08/20/91/564082091.db2.gz WMJQMMCLWVGTJW-UHFFFAOYSA-N 0 0 348.406 4.086 50 0 EIAARN CN(C(=O)c1cn2ccccc2n1)c1ccc(Oc2ccccc2)cc1 ZINC000063853566 564082148 /nfs/dbraw/zinc/08/21/48/564082148.db2.gz FXBJDLKCYDFAPC-UHFFFAOYSA-N 0 0 343.386 4.403 50 0 EIAARN Cc1ccc(NC(=O)NCC[C@H](CCO)c2ccsc2)cc1C ZINC000575606882 564082410 /nfs/dbraw/zinc/08/24/10/564082410.db2.gz KQXPTRUBRASMSI-OAHLLOKOSA-N 0 0 332.469 4.043 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccccc1Cl ZINC000575610039 564082525 /nfs/dbraw/zinc/08/25/25/564082525.db2.gz JCRJKTYQKPRKBQ-CQSZACIVSA-N 0 0 347.823 4.125 50 0 EIAARN Cc1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)c(C)o1 ZINC000575609780 564082556 /nfs/dbraw/zinc/08/25/56/564082556.db2.gz GYNUJHFCHMOVCB-GOSISDBHSA-N 0 0 341.432 4.088 50 0 EIAARN O=C(NCc1ccc(-c2ccsc2)o1)C1(c2ccc(F)cc2)CC1 ZINC000575611845 564082706 /nfs/dbraw/zinc/08/27/06/564082706.db2.gz YGFOCUBDHGLUPG-UHFFFAOYSA-N 0 0 341.407 4.495 50 0 EIAARN CC(C)c1noc([C@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000024667957 564082921 /nfs/dbraw/zinc/08/29/21/564082921.db2.gz XOMCAFQNIFMDKF-UONOGXRCSA-N 0 0 340.427 4.275 50 0 EIAARN COc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000006259125 564083311 /nfs/dbraw/zinc/08/33/11/564083311.db2.gz KPBVSHIILUFQRK-UHFFFAOYSA-N 0 0 329.440 4.167 50 0 EIAARN Cc1nc2ccccc2n1[C@H]1CCN(C(=O)CCCc2ccccc2)C1 ZINC000575616947 564083505 /nfs/dbraw/zinc/08/35/05/564083505.db2.gz LONZYBVXVABUAT-IBGZPJMESA-N 0 0 347.462 4.141 50 0 EIAARN O=C(COc1ccccc1-c1ccccc1)NCc1ccc(F)cc1 ZINC000006305927 564083758 /nfs/dbraw/zinc/08/37/58/564083758.db2.gz OXQLUKAKHAQSFN-UHFFFAOYSA-N 0 0 335.378 4.188 50 0 EIAARN C[C@H](Cc1csc2ccccc12)NC(=O)COc1ccccc1F ZINC000575619297 564083783 /nfs/dbraw/zinc/08/37/83/564083783.db2.gz CYJHKLCHIALUQC-CYBMUJFWSA-N 0 0 343.423 4.167 50 0 EIAARN C[C@H](Cc1csc2ccccc12)NC(=O)c1noc2c1CCCC2 ZINC000575620585 564083882 /nfs/dbraw/zinc/08/38/82/564083882.db2.gz LAXGVRZAAQEECU-GFCCVEGCSA-N 0 0 340.448 4.129 50 0 EIAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000013019622 564084702 /nfs/dbraw/zinc/08/47/02/564084702.db2.gz PTCYPETUONHZCM-WEVVVXLNSA-N 0 0 333.334 4.024 50 0 EIAARN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCc2ccccc2)o1 ZINC000075437508 564084728 /nfs/dbraw/zinc/08/47/28/564084728.db2.gz GBYULQXLTJEQEZ-UHFFFAOYSA-N 0 0 347.374 4.030 50 0 EIAARN Cc1cccc([C@H](NC(=O)Nc2ccncc2C)c2ccccn2)c1 ZINC000121749905 564084787 /nfs/dbraw/zinc/08/47/87/564084787.db2.gz MRPXHZBRDFPDAZ-IBGZPJMESA-N 0 0 332.407 4.005 50 0 EIAARN C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1ccccc1 ZINC000006374190 564085332 /nfs/dbraw/zinc/08/53/32/564085332.db2.gz ZHLZDIUUNUHAHP-GFCCVEGCSA-N 0 0 331.441 4.237 50 0 EIAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc2ccccc2oc1=O ZINC000012982834 564085700 /nfs/dbraw/zinc/08/57/00/564085700.db2.gz GQVPKIQTCTZIIM-LBPRGKRZSA-N 0 0 341.794 4.280 50 0 EIAARN CCCCCC(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC000032832143 564085851 /nfs/dbraw/zinc/08/58/51/564085851.db2.gz LITZNUWETXYAME-UHFFFAOYSA-N 0 0 328.412 4.188 50 0 EIAARN COc1ccc(CN(C(=O)c2cccc3ncccc32)C2CC2)cc1 ZINC000012997821 564086093 /nfs/dbraw/zinc/08/60/93/564086093.db2.gz AJLKTHYYESLKDQ-UHFFFAOYSA-N 0 0 332.403 4.048 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)c3cccc(F)c3)s2)cs1 ZINC000013002158 564086308 /nfs/dbraw/zinc/08/63/08/564086308.db2.gz FAJXWULFQPIDPK-UHFFFAOYSA-N 0 0 346.452 4.292 50 0 EIAARN COc1cc(NC(=O)C2(c3ccccc3)CC2)c(OC)cc1Cl ZINC000013002599 564086325 /nfs/dbraw/zinc/08/63/25/564086325.db2.gz WSGDOHJZRKHMCD-UHFFFAOYSA-N 0 0 331.799 4.028 50 0 EIAARN CC(=O)c1ccc(NC(=O)NC2CCC(C(F)(F)F)CC2)cc1 ZINC000013004753 564086371 /nfs/dbraw/zinc/08/63/71/564086371.db2.gz VNFKBXONPXOJKC-UHFFFAOYSA-N 0 0 328.334 4.132 50 0 EIAARN O=S1(=O)c2ccccc2N(Cc2cccc(F)c2)c2ccccc21 ZINC000006915240 564086399 /nfs/dbraw/zinc/08/63/99/564086399.db2.gz GCXJIFJQOZKUHR-UHFFFAOYSA-N 0 0 339.391 4.310 50 0 EIAARN COc1cccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000013016964 564086835 /nfs/dbraw/zinc/08/68/35/564086835.db2.gz OHBZDJLBNOYJSQ-UHFFFAOYSA-N 0 0 325.339 4.024 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)c1cccc2ncccc21 ZINC000013023794 564086957 /nfs/dbraw/zinc/08/69/57/564086957.db2.gz MMSKDDZDGBRCBB-UHFFFAOYSA-N 0 0 328.774 4.300 50 0 EIAARN O=C(CCc1conc1-c1ccc(F)cc1)NCC1CCCCC1 ZINC000075510455 564087353 /nfs/dbraw/zinc/08/73/53/564087353.db2.gz UBOCYNJLPDXKPF-UHFFFAOYSA-N 0 0 330.403 4.110 50 0 EIAARN C(=C\c1nn2c(nnc2-c2cc3ccccc3o2)s1)\c1ccco1 ZINC000224121702 564087423 /nfs/dbraw/zinc/08/74/23/564087423.db2.gz RTLZEVWABMIVBM-FPLPWBNLSA-N 0 0 334.360 4.362 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)c3cc4ccc(C)cc4[nH]3)c2)no1 ZINC000064329181 564087722 /nfs/dbraw/zinc/08/77/22/564087722.db2.gz AFSSWNKBHATGGP-UHFFFAOYSA-N 0 0 332.363 4.087 50 0 EIAARN C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H]1c1ccsc1 ZINC000241132999 564088281 /nfs/dbraw/zinc/08/82/81/564088281.db2.gz 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/nfs/dbraw/zinc/08/99/05/564089905.db2.gz FRHAHMYEOZBSST-CVEARBPZSA-N 0 0 341.455 4.252 50 0 EIAARN CC(=O)c1ccc(OC(=O)CCCOc2ccc(C)cc2C)cc1 ZINC000001914170 564089972 /nfs/dbraw/zinc/08/99/72/564089972.db2.gz YIZVMGDDWSAKHC-UHFFFAOYSA-N 0 0 326.392 4.271 50 0 EIAARN Cc1cccc(SCCN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000252642055 564090778 /nfs/dbraw/zinc/09/07/78/564090778.db2.gz ZJGKYEFKPOUKIK-UHFFFAOYSA-N 0 0 346.368 4.001 50 0 EIAARN c1ccc2cc(OCc3nnc([C@@H]4CC45CCOCC5)o3)ccc2c1 ZINC000521393816 564090885 /nfs/dbraw/zinc/09/08/85/564090885.db2.gz PZZWRCDOQZVBNN-KRWDZBQOSA-N 0 0 336.391 4.086 50 0 EIAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1C ZINC000064438957 564091330 /nfs/dbraw/zinc/09/13/30/564091330.db2.gz YYHSFAGRFDIFQK-UHFFFAOYSA-N 0 0 335.407 4.206 50 0 EIAARN COc1ccc2oc(C(=O)NCCc3c[nH]c4ccccc34)c(C)c2c1 ZINC000006553159 564091972 /nfs/dbraw/zinc/09/19/72/564091972.db2.gz OIJNWINUXIWDIN-UHFFFAOYSA-N 0 0 348.402 4.204 50 0 EIAARN Clc1ccc(CSc2n[nH]c(-c3cccnc3)n2)c(Cl)c1 ZINC000006557448 564092030 /nfs/dbraw/zinc/09/20/30/564092030.db2.gz YCIOIUAOVHLOCZ-UHFFFAOYSA-N 0 0 337.235 4.466 50 0 EIAARN Fc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000006559938 564092072 /nfs/dbraw/zinc/09/20/72/564092072.db2.gz ONKKDYJXTGAGJI-UHFFFAOYSA-N 0 0 330.366 4.443 50 0 EIAARN COc1ccccc1CN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC000006561425 564092118 /nfs/dbraw/zinc/09/21/18/564092118.db2.gz BSUXOSJUNMANTH-UHFFFAOYSA-N 0 0 329.465 4.298 50 0 EIAARN CC(C)OCc1cccc(NC(=O)N2CCc3sccc3C2)c1 ZINC000064543581 564092165 /nfs/dbraw/zinc/09/21/65/564092165.db2.gz GWEKHVGIQJLOKD-UHFFFAOYSA-N 0 0 330.453 4.263 50 0 EIAARN CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1ccc2ccccc2c1 ZINC000064567333 564092220 /nfs/dbraw/zinc/09/22/20/564092220.db2.gz IVLJVIGZCMZWDD-HXUWFJFHSA-N 0 0 334.350 4.218 50 0 EIAARN Fc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000006584516 564092346 /nfs/dbraw/zinc/09/23/46/564092346.db2.gz PRDNNQLUOHGMFU-HZPDHXFCSA-N 0 0 328.778 4.217 50 0 EIAARN COCC(=O)N(c1nc2ccccc2s1)c1cc(C)cc(C)c1 ZINC000089585289 564093009 /nfs/dbraw/zinc/09/30/09/564093009.db2.gz FPKVTFOTXYTTIB-UHFFFAOYSA-N 0 0 326.421 4.224 50 0 EIAARN Cc1cc(C2CCC2)nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 ZINC000426492813 564093863 /nfs/dbraw/zinc/09/38/63/564093863.db2.gz MTEKOINBKGBJBD-MRXNPFEDSA-N 0 0 337.467 4.113 50 0 EIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)NCc1cc(F)ccc1F ZINC000426500067 564093904 /nfs/dbraw/zinc/09/39/04/564093904.db2.gz HHSAJEFMSHMVMF-SFHVURJKSA-N 0 0 347.409 4.433 50 0 EIAARN CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2ccncc2C)cc1 ZINC000426628207 564094260 /nfs/dbraw/zinc/09/42/60/564094260.db2.gz JWHYEMMCOGOUSA-IBGZPJMESA-N 0 0 338.451 4.088 50 0 EIAARN Cc1cnc(C)c(-c2ccc(C(=O)N(C)[C@@H](C)c3ccco3)cc2)n1 ZINC000426662011 564094297 /nfs/dbraw/zinc/09/42/97/564094297.db2.gz LEWWBUMHQLMJMA-HNNXBMFYSA-N 0 0 335.407 4.187 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NC3CCCCCC3)cc3cccc(c32)O1 ZINC000064657828 564094810 /nfs/dbraw/zinc/09/48/10/564094810.db2.gz DFFOBKCZGRUENQ-INIZCTEOSA-N 0 0 326.440 4.265 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NCCCc3ccccc3)cc3cccc(c32)O1 ZINC000064657865 564094818 /nfs/dbraw/zinc/09/48/18/564094818.db2.gz HFFRUZHUSCKBJG-SFHVURJKSA-N 0 0 348.446 4.175 50 0 EIAARN Cc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000064667246 564094928 /nfs/dbraw/zinc/09/49/28/564094928.db2.gz MDOFDKQWVIFWJP-MRXNPFEDSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1cccc(OC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)c1 ZINC000064666552 564094929 /nfs/dbraw/zinc/09/49/29/564094929.db2.gz NIFJHILRBZCASZ-UHFFFAOYSA-N 0 0 335.403 4.185 50 0 EIAARN CCCNC(=O)CCc1c(-c2cccc(Cl)c2)nc2ccccn21 ZINC000064675794 564095129 /nfs/dbraw/zinc/09/51/29/564095129.db2.gz VEQGHUTYUMXDPX-UHFFFAOYSA-N 0 0 341.842 4.114 50 0 EIAARN Cc1c(Cl)cccc1-n1ccn2cc(-c3cccs3)nc2c1=O ZINC000064675461 564095141 /nfs/dbraw/zinc/09/51/41/564095141.db2.gz USUWKWGWOYIBLG-UHFFFAOYSA-N 0 0 341.823 4.176 50 0 EIAARN Cc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@H]3C)cs2)n1C ZINC000064676618 564095213 /nfs/dbraw/zinc/09/52/13/564095213.db2.gz KRDGWAMVAVOKHZ-CYBMUJFWSA-N 0 0 337.448 4.048 50 0 EIAARN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000006648242 564095297 /nfs/dbraw/zinc/09/52/97/564095297.db2.gz ROCZIHXYRFXZLK-INIZCTEOSA-N 0 0 349.434 4.151 50 0 EIAARN CCCCC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000006652839 564095409 /nfs/dbraw/zinc/09/54/09/564095409.db2.gz KOUVZMCZDKHCJX-UHFFFAOYSA-N 0 0 344.499 4.458 50 0 EIAARN CCSc1cc(C(=O)NC[C@H]2CCCc3ccccc32)ccn1 ZINC000064705847 564095556 /nfs/dbraw/zinc/09/55/56/564095556.db2.gz IFDOOHGDLCBXST-MRXNPFEDSA-N 0 0 326.465 4.044 50 0 EIAARN C=C1c2cc3c(cc2CCN1C(=O)c1ccc(C(C)(C)C)cc1)OCO3 ZINC000006670457 564095750 /nfs/dbraw/zinc/09/57/50/564095750.db2.gz FVANRYVFOXCHNB-UHFFFAOYSA-N 0 0 349.430 4.382 50 0 EIAARN Cc1nccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)n1 ZINC000064738288 564095801 /nfs/dbraw/zinc/09/58/01/564095801.db2.gz AAVIQUZKHUQHRO-CQSZACIVSA-N 0 0 332.407 4.210 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818543 564096532 /nfs/dbraw/zinc/09/65/32/564096532.db2.gz NEFOXIITMGENBI-UHFFFAOYSA-N 0 0 342.349 4.077 50 0 EIAARN COc1ccc(Cl)c(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c1 ZINC000064828906 564096610 /nfs/dbraw/zinc/09/66/10/564096610.db2.gz IUZYLHWXODWEEM-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN CSc1ccc(N2C(=O)N3CCCN3[C@H]2c2ccc(C)cc2)cc1 ZINC000006737546 564096706 /nfs/dbraw/zinc/09/67/06/564096706.db2.gz XHDUFKILJYJDLL-GOSISDBHSA-N 0 0 339.464 4.278 50 0 EIAARN O=C(Cc1cccs1)Nc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000064844915 564096874 /nfs/dbraw/zinc/09/68/74/564096874.db2.gz VQLQZTXMZWFKHZ-UHFFFAOYSA-N 0 0 339.420 4.247 50 0 EIAARN CC(C)(C)c1ccc([C@@H]2NC(=O)c3[nH]nc(-c4cccs4)c32)cc1 ZINC000006753380 564097190 /nfs/dbraw/zinc/09/71/90/564097190.db2.gz CEIZFTXJIDTWRF-HNNXBMFYSA-N 0 0 337.448 4.269 50 0 EIAARN COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)NC3=O)c1 ZINC000006753313 564097198 /nfs/dbraw/zinc/09/71/98/564097198.db2.gz WMCRPUMBZWTVPG-GOSISDBHSA-N 0 0 347.418 4.042 50 0 EIAARN COc1ccc(-c2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 ZINC000006754966 564097241 /nfs/dbraw/zinc/09/72/41/564097241.db2.gz GIGXZWPZGJKBNY-UHFFFAOYSA-N 0 0 349.438 4.027 50 0 EIAARN O=c1[nH]c2cc(-c3noc(-c4ccccc4)n3)ccc2n1C1CCCC1 ZINC000064891384 564097484 /nfs/dbraw/zinc/09/74/84/564097484.db2.gz QYAMPRZVWJCZQN-UHFFFAOYSA-N 0 0 346.390 4.162 50 0 EIAARN Cc1noc(C)c1CSCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000006785029 564097730 /nfs/dbraw/zinc/09/77/30/564097730.db2.gz YXQZPTDTPSSGJY-UHFFFAOYSA-N 0 0 338.860 4.434 50 0 EIAARN Cc1cccc2c(C(=O)Nc3ccncc3)cc(-c3cccnc3)nc12 ZINC000006789533 564097890 /nfs/dbraw/zinc/09/78/90/564097890.db2.gz TZPIUWHRKKKKQA-UHFFFAOYSA-N 0 0 340.386 4.253 50 0 EIAARN CCn1c2cc(C)ccc2c(C[NH2+]Cc2ccc(C)cc2)c1C(=O)[O-] ZINC000006795280 564098102 /nfs/dbraw/zinc/09/81/02/564098102.db2.gz WRONWJANWIUIHC-UHFFFAOYSA-N 0 0 336.435 4.266 50 0 EIAARN CCN1CCSc2ccc(C(=O)NCc3ccc(Cl)cc3)cc21 ZINC000006802555 564098263 /nfs/dbraw/zinc/09/82/63/564098263.db2.gz OTVOJNAIYXQETR-UHFFFAOYSA-N 0 0 346.883 4.202 50 0 EIAARN CCn1c2ccccc2c(C[NH2+]CCCc2ccccc2)c1C(=O)[O-] ZINC000006803251 564098284 /nfs/dbraw/zinc/09/82/84/564098284.db2.gz HJFDZMDAPCQLRI-UHFFFAOYSA-N 0 0 336.435 4.082 50 0 EIAARN CCn1c(C(=O)NCc2ccc(OC)cc2)cc2oc3ccccc3c21 ZINC000006807655 564098395 /nfs/dbraw/zinc/09/83/95/564098395.db2.gz WFWOKWQLAHNBRF-UHFFFAOYSA-N 0 0 348.402 4.346 50 0 EIAARN CCSc1ncc(Cl)c(C(=O)Oc2ccc(Cl)c(C)c2)n1 ZINC000006810465 564098440 /nfs/dbraw/zinc/09/84/40/564098440.db2.gz ZXYMBWBIEPDCKT-UHFFFAOYSA-N 0 0 343.235 4.423 50 0 EIAARN CCSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2)n1 ZINC000006810436 564098443 /nfs/dbraw/zinc/09/84/43/564098443.db2.gz VCTLNJKXRCERPI-UHFFFAOYSA-N 0 0 328.224 4.148 50 0 EIAARN CCn1cc(-c2nc(-c3ccccc3C)no2)c(=O)c2ccccc21 ZINC000064960885 564098554 /nfs/dbraw/zinc/09/85/54/564098554.db2.gz KNDHJXLHVPILCE-UHFFFAOYSA-N 0 0 331.375 4.047 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cnccn1 ZINC000155867997 564098800 /nfs/dbraw/zinc/09/88/00/564098800.db2.gz ISMPOPFDBBZPCZ-UHFFFAOYSA-N 0 0 342.358 4.051 50 0 EIAARN CCOc1ccc(NC(=O)N2CCOc3ccc(Cl)cc32)cc1 ZINC000006842964 564099414 /nfs/dbraw/zinc/09/94/14/564099414.db2.gz WUUYHRUERCXYLN-UHFFFAOYSA-N 0 0 332.787 4.170 50 0 EIAARN COC(=O)c1cc(OCc2ccc(Cl)cc2)c2ccccc2n1 ZINC000065033052 564099810 /nfs/dbraw/zinc/09/98/10/564099810.db2.gz LTRWJYOZGHGLSJ-UHFFFAOYSA-N 0 0 327.767 4.254 50 0 EIAARN COC(=O)c1cc(OCc2ccc(F)cc2)c2cc(Cl)ccc2n1 ZINC000065033427 564099835 /nfs/dbraw/zinc/09/98/35/564099835.db2.gz RQFMITMCPZHQSF-UHFFFAOYSA-N 0 0 345.757 4.393 50 0 EIAARN CCCC(C)(C)NC(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000065041914 564100102 /nfs/dbraw/zinc/10/01/02/564100102.db2.gz FQBYJUSTDRSZDK-UHFFFAOYSA-N 0 0 334.460 4.490 50 0 EIAARN COc1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)cc1OC ZINC000006876901 564100312 /nfs/dbraw/zinc/10/03/12/564100312.db2.gz IUIDUXQMIOJIDE-GFCCVEGCSA-N 0 0 344.436 4.237 50 0 EIAARN O=C(CCc1ccco1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000006879677 564100418 /nfs/dbraw/zinc/10/04/18/564100418.db2.gz HHZYPHOXCHNUPK-UHFFFAOYSA-N 0 0 338.432 4.463 50 0 EIAARN Cc1cc(C)cc(OCCSc2n[nH]c(-c3ccccc3F)n2)c1 ZINC000006879796 564100453 /nfs/dbraw/zinc/10/04/53/564100453.db2.gz TWQMVSFRJZMDPH-UHFFFAOYSA-N 0 0 343.427 4.399 50 0 EIAARN COc1ccc(CNC(=O)c2ccnc(-c3ccc(C)s3)c2)cc1 ZINC000065063109 564100518 /nfs/dbraw/zinc/10/05/18/564100518.db2.gz FOTSJEFHBODCRA-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN O=c1oc(-c2cccs2)nn1CCSc1ccc(Cl)cc1 ZINC000006881836 564100601 /nfs/dbraw/zinc/10/06/01/564100601.db2.gz UMWFNCDXPAVOIL-UHFFFAOYSA-N 0 0 338.841 4.011 50 0 EIAARN COc1ccccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000006886544 564100690 /nfs/dbraw/zinc/10/06/90/564100690.db2.gz OVRGXQZWGDVOBL-UHFFFAOYSA-N 0 0 346.358 4.349 50 0 EIAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)c1c[nH]c2ccccc21 ZINC000006886770 564100708 /nfs/dbraw/zinc/10/07/08/564100708.db2.gz ZWCQFYXGFFQPQV-UHFFFAOYSA-N 0 0 347.292 4.226 50 0 EIAARN CCc1cccc(C)c1NC(=O)C(=O)c1cccn1Cc1ccccc1 ZINC000065084179 564100832 /nfs/dbraw/zinc/10/08/32/564100832.db2.gz HRWXVRKMJBVPNT-UHFFFAOYSA-N 0 0 346.430 4.229 50 0 EIAARN CC(C)Cn1c2ccccc2nc1SCC(=O)NC1CCCCC1 ZINC000006907151 564101120 /nfs/dbraw/zinc/10/11/20/564101120.db2.gz USKOYBUEMZOGKR-UHFFFAOYSA-N 0 0 345.512 4.233 50 0 EIAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2NCc2cccs2)n1 ZINC000065114339 564101238 /nfs/dbraw/zinc/10/12/38/564101238.db2.gz KCSOMECFSIRNCY-UHFFFAOYSA-N 0 0 341.436 4.177 50 0 EIAARN Cn1c2ccc(-c3noc(-c4ccc(C(C)(C)C)cc4)n3)cc2oc1=O ZINC000065138182 564101569 /nfs/dbraw/zinc/10/15/69/564101569.db2.gz MZLDBNDCAFAOSJ-UHFFFAOYSA-N 0 0 349.390 4.146 50 0 EIAARN CCc1ccc(NC(=O)N2CCc3cn(C)c4cccc(c34)C2)cc1 ZINC000065148843 564101627 /nfs/dbraw/zinc/10/16/27/564101627.db2.gz NHQGXOHWHCVSDJ-UHFFFAOYSA-N 0 0 333.435 4.331 50 0 EIAARN CCc1nnc(-c2cc(NC(=O)[C@@H](C)c3ccccc3)c(C)s2)o1 ZINC000065149250 564101686 /nfs/dbraw/zinc/10/16/86/564101686.db2.gz YWESSWYBEAXGIA-NSHDSACASA-N 0 0 341.436 4.411 50 0 EIAARN Cc1nnc(-c2cc(NC(=O)Cc3ccc(Cl)cc3)c(C)s2)o1 ZINC000065149199 564101711 /nfs/dbraw/zinc/10/17/11/564101711.db2.gz SHJDWOOSYBMUPP-UHFFFAOYSA-N 0 0 347.827 4.250 50 0 EIAARN CCc1nc2cc(-c3noc(-c4cccc(N(C)C)c4)n3)ccc2o1 ZINC000065149724 564101798 /nfs/dbraw/zinc/10/17/98/564101798.db2.gz RQQOHAVMSUYJNW-UHFFFAOYSA-N 0 0 334.379 4.173 50 0 EIAARN CSc1ncc(C(=O)Nc2cc(C)cc(C)c2)c(C(F)(F)F)n1 ZINC000006938345 564101876 /nfs/dbraw/zinc/10/18/76/564101876.db2.gz PYNMKZLZZSLJTR-UHFFFAOYSA-N 0 0 341.358 4.086 50 0 EIAARN O=C(Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1 ZINC000006938478 564101889 /nfs/dbraw/zinc/10/18/89/564101889.db2.gz QELFRBJVLDCBNV-UHFFFAOYSA-N 0 0 345.446 4.094 50 0 EIAARN CCn1cc(CCNC(=O)Nc2cccc(Cl)c2)c2cccnc21 ZINC000065156260 564101937 /nfs/dbraw/zinc/10/19/37/564101937.db2.gz PPUCRTOUKLOEGL-UHFFFAOYSA-N 0 0 342.830 4.074 50 0 EIAARN Cc1cccc(-n2cc(C3CCN(C(=O)CC(C)(C)C)CC3)cn2)c1 ZINC000065173082 564102297 /nfs/dbraw/zinc/10/22/97/564102297.db2.gz HEILCXIZIIWNRL-UHFFFAOYSA-N 0 0 339.483 4.323 50 0 EIAARN O=C(NCc1cccnc1-c1ccccc1)c1ccc(F)cc1Cl ZINC000065171410 564102309 /nfs/dbraw/zinc/10/23/09/564102309.db2.gz YHADJQWQBKXNHS-UHFFFAOYSA-N 0 0 340.785 4.471 50 0 EIAARN Cc1nc(NCc2ccco2)sc1C(=O)Nc1ccc(F)cc1 ZINC000065184690 564102457 /nfs/dbraw/zinc/10/24/57/564102457.db2.gz ZSANUHCKVBKTLY-UHFFFAOYSA-N 0 0 331.372 4.048 50 0 EIAARN O=C(c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1)N1CCCC1 ZINC000065178265 564102552 /nfs/dbraw/zinc/10/25/52/564102552.db2.gz DMTVPUYBCQWXMI-UHFFFAOYSA-N 0 0 349.478 4.365 50 0 EIAARN CC[C@@H](C)NC(=O)N1CC=C(c2cn(C(C)C)c3ncccc23)CC1 ZINC000065211844 564102732 /nfs/dbraw/zinc/10/27/32/564102732.db2.gz YZOLWMHFFRUXJB-OAHLLOKOSA-N 0 0 340.471 4.214 50 0 EIAARN O=C(c1ccc(COc2ccccc2)cc1)N1CCc2ccccc21 ZINC000006997731 564102793 /nfs/dbraw/zinc/10/27/93/564102793.db2.gz KIGTZYCTDBDLCH-UHFFFAOYSA-N 0 0 329.399 4.469 50 0 EIAARN Cc1ccc(-c2nc(Cn3nnc(-c4ccccc4C)n3)cs2)cc1 ZINC000007005543 564102974 /nfs/dbraw/zinc/10/29/74/564102974.db2.gz PYYZLQNKVBUYAZ-UHFFFAOYSA-N 0 0 347.447 4.129 50 0 EIAARN CCOc1ccc(C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)cc1 ZINC000007028511 564103209 /nfs/dbraw/zinc/10/32/09/564103209.db2.gz TVQZEVMWNMIYND-CYBMUJFWSA-N 0 0 343.448 4.407 50 0 EIAARN CC[C@@H](c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1)c1ccccc1 ZINC000065259442 564103602 /nfs/dbraw/zinc/10/36/02/564103602.db2.gz XSXZSIJYVMDVFW-FUHWJXTLSA-N 0 0 347.418 4.132 50 0 EIAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2ccc(Cl)cc2)C1 ZINC000013138380 564103659 /nfs/dbraw/zinc/10/36/59/564103659.db2.gz AFIIKXHKEKRZHL-CQSZACIVSA-N 0 0 332.831 4.123 50 0 EIAARN O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1cccc(O)c1 ZINC000524733709 564103787 /nfs/dbraw/zinc/10/37/87/564103787.db2.gz ITSGLIUXIPKFAT-GOSISDBHSA-N 0 0 340.810 4.465 50 0 EIAARN CCc1ccccc1NC(=O)CCc1ccnc(N(CC)CC)c1 ZINC000065269980 564103852 /nfs/dbraw/zinc/10/38/52/564103852.db2.gz NAJAIGNBOVZLDG-UHFFFAOYSA-N 0 0 325.456 4.062 50 0 EIAARN O=S(=O)(Nc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000007052480 564103879 /nfs/dbraw/zinc/10/38/79/564103879.db2.gz BWEOSYGGMNVTEK-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3c2cccc3C)on1 ZINC000169995631 564104218 /nfs/dbraw/zinc/10/42/18/564104218.db2.gz PMMBDLYJEZAJTJ-KRWDZBQOSA-N 0 0 337.423 4.069 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000007062499 564104510 /nfs/dbraw/zinc/10/45/10/564104510.db2.gz HYPPJYNZXADLFG-UHFFFAOYSA-N 0 0 338.190 4.407 50 0 EIAARN Cc1oc(C(C)C)nc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000065293447 564104821 /nfs/dbraw/zinc/10/48/21/564104821.db2.gz CATNNMUCAOXVGU-UHFFFAOYSA-N 0 0 326.318 4.055 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1N1CCCC1 ZINC000007107178 564104878 /nfs/dbraw/zinc/10/48/78/564104878.db2.gz HASWXPLKOTWWLU-UHFFFAOYSA-N 0 0 348.368 4.487 50 0 EIAARN O=C1c2ccccc2N[C@@]2(CCc3ccccc3C2)N1Cc1ccco1 ZINC000007112928 564105011 /nfs/dbraw/zinc/10/50/11/564105011.db2.gz LSPSUSUWZRUASV-QFIPXVFZSA-N 0 0 344.414 4.233 50 0 EIAARN CCCNC(=O)Nc1cccc(-c2noc(-c3cccc(C)c3)n2)c1 ZINC000065330131 564105282 /nfs/dbraw/zinc/10/52/82/564105282.db2.gz XKAOGXSIMRBRAN-UHFFFAOYSA-N 0 0 336.395 4.244 50 0 EIAARN O=C1C[C@@H](c2cccc3ccccc32)c2cnn(-c3ccccc3)c2N1 ZINC000065331146 564105322 /nfs/dbraw/zinc/10/53/22/564105322.db2.gz UKVBWAIINYRPFN-IBGZPJMESA-N 0 0 339.398 4.500 50 0 EIAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000065331114 564105335 /nfs/dbraw/zinc/10/53/35/564105335.db2.gz QRARGVLRTDJYAG-SFHVURJKSA-N 0 0 347.418 4.135 50 0 EIAARN O=C(c1cc2ccccc2s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000007130879 564105345 /nfs/dbraw/zinc/10/53/45/564105345.db2.gz LMOBANYNISGSBO-UHFFFAOYSA-N 0 0 340.423 4.003 50 0 EIAARN O[C@@H](Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 ZINC000007140979 564105387 /nfs/dbraw/zinc/10/53/87/564105387.db2.gz BJVQUNDRPLKUEL-NRFANRHFSA-N 0 0 344.414 4.349 50 0 EIAARN CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2cc(C)oc2C)c1 ZINC000065411314 564105766 /nfs/dbraw/zinc/10/57/66/564105766.db2.gz ZWFNHCKIWJFDGQ-CYBMUJFWSA-N 0 0 343.427 4.436 50 0 EIAARN O=C(C[C@@H]1C=CCC1)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 ZINC000065493958 564106509 /nfs/dbraw/zinc/10/65/09/564106509.db2.gz FZDKQGGTURVRMO-ZBFHGGJFSA-N 0 0 345.393 4.035 50 0 EIAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000065496031 564106520 /nfs/dbraw/zinc/10/65/20/564106520.db2.gz RVEZHVDNUUIBDP-IRXDYDNUSA-N 0 0 327.449 4.051 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c(Cl)c1 ZINC000065548998 564107360 /nfs/dbraw/zinc/10/73/60/564107360.db2.gz LUKWWHCPOOPVRH-LBPRGKRZSA-N 0 0 346.814 4.013 50 0 EIAARN O=C(Nc1ccc(Oc2cnccn2)cc1)c1nccc2ccccc21 ZINC000065550195 564107408 /nfs/dbraw/zinc/10/74/08/564107408.db2.gz VTICLSNUIQWVPN-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C[C@H](C)C[C@H](C)C1 ZINC000007386008 564107652 /nfs/dbraw/zinc/10/76/52/564107652.db2.gz GVLDSEQXKJISGZ-TUAOUCFPSA-N 0 0 329.271 4.298 50 0 EIAARN COc1cc(NC(=O)N(C)C2CCCCCCC2)ccc1NC(C)=O ZINC000065593456 564107973 /nfs/dbraw/zinc/10/79/73/564107973.db2.gz AVWGCVWLQOJJPI-UHFFFAOYSA-N 0 0 347.459 4.230 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c32)cn1 ZINC000065592409 564108012 /nfs/dbraw/zinc/10/80/12/564108012.db2.gz LLSJCNOAYRJTCN-UHFFFAOYSA-N 0 0 336.439 4.278 50 0 EIAARN c1c(-c2nc(-c3cccnc3)no2)n[nH]c1-c1ccc2ccccc2c1 ZINC000007424911 564108337 /nfs/dbraw/zinc/10/83/37/564108337.db2.gz WIBQKEUKSRFRNR-UHFFFAOYSA-N 0 0 339.358 4.342 50 0 EIAARN O=C(CSc1ncnc2ccccc21)N(C1=CCCCC1)C1CC1 ZINC000007425007 564108370 /nfs/dbraw/zinc/10/83/70/564108370.db2.gz VXRHTOZHICUMQG-UHFFFAOYSA-N 0 0 339.464 4.171 50 0 EIAARN Cc1ccc(Nc2nc3c(cnn3C)c(Nc3ccccc3C)n2)cc1 ZINC000007448535 564108643 /nfs/dbraw/zinc/10/86/43/564108643.db2.gz MRUQHBNEJNPCAY-UHFFFAOYSA-N 0 0 344.422 4.467 50 0 EIAARN c1nc(CSc2n[nH]c(-c3ccccc3)n2)oc1-c1ccccc1 ZINC000007472327 564108786 /nfs/dbraw/zinc/10/87/86/564108786.db2.gz KWUXLROVHUPULW-UHFFFAOYSA-N 0 0 334.404 4.419 50 0 EIAARN Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3ccc(C)c(C)c3)c2c1 ZINC000170594098 564108970 /nfs/dbraw/zinc/10/89/70/564108970.db2.gz DZLHNPQLGRZTNH-IBGZPJMESA-N 0 0 333.435 4.465 50 0 EIAARN COc1cc(CNc2ccccc2OC(F)(F)F)cc(OC)c1 ZINC000170596001 564109049 /nfs/dbraw/zinc/10/90/49/564109049.db2.gz RCVYWEDWKLSQEQ-UHFFFAOYSA-N 0 0 327.302 4.215 50 0 EIAARN COc1cccc(N[C@@H](CNC(=O)Nc2ccccc2)C(C)(C)C)c1 ZINC000170600336 564109307 /nfs/dbraw/zinc/10/93/07/564109307.db2.gz MGEHDCQCAYFKLM-SFHVURJKSA-N 0 0 341.455 4.344 50 0 EIAARN Cc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2s1 ZINC000007505259 564109424 /nfs/dbraw/zinc/10/94/24/564109424.db2.gz XULNMZSOMLHHKI-UHFFFAOYSA-N 0 0 338.841 4.059 50 0 EIAARN C[C@H](c1nc(-c2ccccc2)cs1)N(C)Cc1ncc(Cl)n1C ZINC000170602817 564109440 /nfs/dbraw/zinc/10/94/40/564109440.db2.gz JIYQYCGLUCZERG-GFCCVEGCSA-N 0 0 346.887 4.390 50 0 EIAARN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000170602379 564109443 /nfs/dbraw/zinc/10/94/43/564109443.db2.gz XJMHAIDAVBQWPT-CVEARBPZSA-N 0 0 327.472 4.217 50 0 EIAARN CC1(C)CN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CCO1 ZINC000170602558 564109449 /nfs/dbraw/zinc/10/94/49/564109449.db2.gz OVGRNLYXXZLWOA-UHFFFAOYSA-N 0 0 349.474 4.218 50 0 EIAARN CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc3sncc3c2)C1 ZINC000170609540 564109674 /nfs/dbraw/zinc/10/96/74/564109674.db2.gz ZSSCLGOPEOEKRM-GXTWGEPZSA-N 0 0 335.498 4.482 50 0 EIAARN Cc1ccc2c(c1)[C@@H](NC(=O)N1CCn3cccc3[C@@H]1C)CCS2 ZINC000170622304 564110355 /nfs/dbraw/zinc/11/03/55/564110355.db2.gz VQQZRCRMFBIODJ-HOCLYGCPSA-N 0 0 341.480 4.120 50 0 EIAARN Cc1ccccc1Oc1ccccc1CNC(=O)c1ccc(F)nc1 ZINC000170626736 564110534 /nfs/dbraw/zinc/11/05/34/564110534.db2.gz ZJNKEHXGSHGARL-UHFFFAOYSA-N 0 0 336.366 4.251 50 0 EIAARN CC(C)Nc1ncccc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000170631968 564110678 /nfs/dbraw/zinc/11/06/78/564110678.db2.gz VSPWAMNDRZCACP-UHFFFAOYSA-N 0 0 344.434 4.138 50 0 EIAARN Cc1ccccc1CSC[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000170631633 564110681 /nfs/dbraw/zinc/11/06/81/564110681.db2.gz YGUJAUVIYVUXKA-GOSISDBHSA-N 0 0 340.492 4.256 50 0 EIAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2cccnc2)S1 ZINC000071285298 564110899 /nfs/dbraw/zinc/11/08/99/564110899.db2.gz HVGXUNTUULBJDG-HNNXBMFYSA-N 0 0 328.441 4.375 50 0 EIAARN Cc1cc(SC(C)(C)C)ccc1NC(=O)NC1CCC(O)CC1 ZINC000071854034 564111370 /nfs/dbraw/zinc/11/13/70/564111370.db2.gz WHYJUQAJIRELCW-UHFFFAOYSA-N 0 0 336.501 4.311 50 0 EIAARN C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000013320544 564111496 /nfs/dbraw/zinc/11/14/96/564111496.db2.gz RFTZTFATXLMKOF-UFBFGSQYSA-N 0 0 336.741 4.048 50 0 EIAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(Br)cc1)C2 ZINC000014206144 564112309 /nfs/dbraw/zinc/11/23/09/564112309.db2.gz LYVJYMSRAPLFIF-OAHLLOKOSA-N 0 0 348.265 4.413 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]4CCCC[C@H]43)cc2)n1 ZINC000014598142 564112538 /nfs/dbraw/zinc/11/25/38/564112538.db2.gz ASLIWELGHHUJIN-YLJYHZDGSA-N 0 0 337.467 4.284 50 0 EIAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccccc1OC(F)F ZINC000016724624 564112819 /nfs/dbraw/zinc/11/28/19/564112819.db2.gz LMPFKONBYRXSGB-UHFFFAOYSA-N 0 0 347.239 4.439 50 0 EIAARN COc1ccccc1OCCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000014669642 564113080 /nfs/dbraw/zinc/11/30/80/564113080.db2.gz YYMZJKXXTMZYSL-UHFFFAOYSA-N 0 0 333.815 4.373 50 0 EIAARN Cc1nnc([C@H]2CCCN2Cc2ncc(-c3cccc(Cl)c3)o2)o1 ZINC000089736297 564113482 /nfs/dbraw/zinc/11/34/82/564113482.db2.gz HHGBNMWAGKTREL-CQSZACIVSA-N 0 0 344.802 4.024 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000089768139 564113618 /nfs/dbraw/zinc/11/36/18/564113618.db2.gz CSXSIZVRBJYVDK-VNQPRFMTSA-N 0 0 349.421 4.066 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C ZINC000016856886 564113923 /nfs/dbraw/zinc/11/39/23/564113923.db2.gz LVEBKRIBBFRHKE-UHFFFAOYSA-N 0 0 336.435 4.404 50 0 EIAARN O=C([C@@H](N[C@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 ZINC000089825758 564114067 /nfs/dbraw/zinc/11/40/67/564114067.db2.gz AMMVVOCZZCQNTQ-SFTDATJTSA-N 0 0 334.463 4.017 50 0 EIAARN O=C(c1cc2c(s1)CCOC2)N(CC(F)(F)F)c1ccccc1 ZINC000089841177 564114194 /nfs/dbraw/zinc/11/41/94/564114194.db2.gz RIUUQVVGTNRYTL-UHFFFAOYSA-N 0 0 341.354 4.030 50 0 EIAARN CCOc1ccc(NC(=O)Nc2c(C)n[nH]c2C)c(C(F)(F)F)c1 ZINC000089865873 564114424 /nfs/dbraw/zinc/11/44/24/564114424.db2.gz YZMJDSOPZAXCQE-UHFFFAOYSA-N 0 0 342.321 4.088 50 0 EIAARN CCN(C(=O)CCc1ncc(-c2ccccc2)o1)[C@H](C)c1ccncc1 ZINC000076019112 564114490 /nfs/dbraw/zinc/11/44/90/564114490.db2.gz DIDWNSUOWSGQMT-MRXNPFEDSA-N 0 0 349.434 4.279 50 0 EIAARN CO[C@H](C)c1cccc(NC(=O)N(C)Cc2cc(Cl)cn2C)c1 ZINC000089905240 564115114 /nfs/dbraw/zinc/11/51/14/564115114.db2.gz XRIHOWNTCCPHGU-GFCCVEGCSA-N 0 0 335.835 4.050 50 0 EIAARN CCCCCOc1ccc(C(=O)Nc2ccccc2[S@@](C)=O)cc1 ZINC000076059089 564115139 /nfs/dbraw/zinc/11/51/39/564115139.db2.gz VHZGJMCJUMKWMG-DEOSSOPVSA-N 0 0 345.464 4.245 50 0 EIAARN CN(CCOc1ccc(F)cc1)C(=S)Nc1cccc(Cl)c1 ZINC000016948645 564115165 /nfs/dbraw/zinc/11/51/65/564115165.db2.gz ASHWRGJRQOTPHW-UHFFFAOYSA-N 0 0 338.835 4.187 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Br)o1 ZINC000000462222 564116718 /nfs/dbraw/zinc/11/67/18/564116718.db2.gz CSPOUFDRUGDOPB-UHFFFAOYSA-N 0 0 344.592 4.265 50 0 EIAARN CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)Nc1nncs1 ZINC000089919252 564115385 /nfs/dbraw/zinc/11/53/85/564115385.db2.gz XYYRHFUIMGEICX-AWEZNQCLSA-N 0 0 330.457 4.151 50 0 EIAARN CCC(CC)n1ncc(C(=O)N(C)[C@@H](C)c2ccccc2OC)c1C ZINC000089943203 564115613 /nfs/dbraw/zinc/11/56/13/564115613.db2.gz ZSSPFSFDZLAWHL-AWEZNQCLSA-N 0 0 343.471 4.394 50 0 EIAARN CCOc1cc2c(c(CNc3ccccc3N(C)C)c1)O[C@@H](C)C2 ZINC000089991022 564116078 /nfs/dbraw/zinc/11/60/78/564116078.db2.gz VLMRDLLOQMJDBW-AWEZNQCLSA-N 0 0 326.440 4.087 50 0 EIAARN C[C@H](Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000076316503 564116433 /nfs/dbraw/zinc/11/64/33/564116433.db2.gz WHMBRLRRYWDUCD-HNAYVOBHSA-N 0 0 339.439 4.160 50 0 EIAARN O=C(NCc1cccnc1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000017168818 564116611 /nfs/dbraw/zinc/11/66/11/564116611.db2.gz RFJRMOZMBLKCKY-UHFFFAOYSA-N 0 0 328.824 4.394 50 0 EIAARN Cc1nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1C ZINC000001440015 564116879 /nfs/dbraw/zinc/11/68/79/564116879.db2.gz YCVXVBSPSLHMID-UHFFFAOYSA-N 0 0 343.496 4.030 50 0 EIAARN CC(=O)Nc1ncc(Cc2cc(Cl)ccc2C(F)(F)F)s1 ZINC000002877491 564117087 /nfs/dbraw/zinc/11/70/87/564117087.db2.gz GCRBIAUPCGENSP-UHFFFAOYSA-N 0 0 334.750 4.365 50 0 EIAARN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C12CCCC2 ZINC000170637048 564117362 /nfs/dbraw/zinc/11/73/62/564117362.db2.gz QMAJNZKPUZRPQY-CHWSQXEVSA-N 0 0 345.270 4.131 50 0 EIAARN Cc1cc(C)cc(NC(=O)CSc2nc(C)c3c(n2)CCCC3)c1 ZINC000006746800 564117484 /nfs/dbraw/zinc/11/74/84/564117484.db2.gz ADCDQKDPYQWXMN-UHFFFAOYSA-N 0 0 341.480 4.011 50 0 EIAARN COc1ccc2nc(C)cc(C(=O)N[C@H](c3ccccc3)C3CC3)c2c1 ZINC000170638548 564117515 /nfs/dbraw/zinc/11/75/15/564117515.db2.gz QAUXDXXJTMPYSC-OAQYLSRUSA-N 0 0 346.430 4.433 50 0 EIAARN CCCC[C@H]1C[C@@H](COC(=O)c2ccc(OCC(C)C)cc2)OC1=O ZINC000002102240 564117614 /nfs/dbraw/zinc/11/76/14/564117614.db2.gz OROXZXPYZYSMQA-WMZOPIPTSA-N 0 0 348.439 4.000 50 0 biogenic EIAARN CC(=O)Nc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 ZINC000000395197 564118864 /nfs/dbraw/zinc/11/88/64/564118864.db2.gz NSLBFNOXPLOUBN-UHFFFAOYSA-N 0 0 348.200 4.052 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)cc1 ZINC000000393967 564118885 /nfs/dbraw/zinc/11/88/85/564118885.db2.gz QDTDLVFOJQOBCW-UHFFFAOYSA-N 0 0 349.411 4.007 50 0 EIAARN O=C(NCc1ccnc(-c2cccs2)c1)Nc1c(F)cccc1F ZINC000225652708 564119160 /nfs/dbraw/zinc/11/91/60/564119160.db2.gz BTHJKBYSLUJNEK-UHFFFAOYSA-N 0 0 345.374 4.410 50 0 EIAARN O=C(Nc1cccc(N2CCCCC2)c1)c1ccoc1Br ZINC000252483986 564119242 /nfs/dbraw/zinc/11/92/42/564119242.db2.gz FLQYQELUUCFAJT-UHFFFAOYSA-N 0 0 349.228 4.285 50 0 EIAARN CC(C)[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2n1C(C)C ZINC000252491292 564119555 /nfs/dbraw/zinc/11/95/55/564119555.db2.gz LKXCHQKQGSYKEA-GOSISDBHSA-N 0 0 336.439 4.139 50 0 EIAARN CC1(C)CN(C(=O)CCCC2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000252502134 564119880 /nfs/dbraw/zinc/11/98/80/564119880.db2.gz UMXLWQLDRQQVDZ-AWEZNQCLSA-N 0 0 335.410 4.020 50 0 EIAARN CO[C@@H](C)c1nsc(Oc2ccc3c(c2)oc(=O)cc3C(C)C)n1 ZINC000252508877 564120015 /nfs/dbraw/zinc/12/00/15/564120015.db2.gz XWQDYIJHEOODCS-JTQLQIEISA-N 0 0 346.408 4.268 50 0 EIAARN Cc1csc(N(C(=O)c2ccnc(NC3CCCC3)c2)C2CC2)n1 ZINC000170646918 564120283 /nfs/dbraw/zinc/12/02/83/564120283.db2.gz USBYRJUIOQOZDK-UHFFFAOYSA-N 0 0 342.468 4.010 50 0 EIAARN Cc1nnc(-c2ccc(NC(=O)N3[C@H](C)C[C@@H]4CCCC[C@H]43)cc2)o1 ZINC000252581877 564120787 /nfs/dbraw/zinc/12/07/87/564120787.db2.gz UKISCLLGHDCSJC-ISTRZQFTSA-N 0 0 340.427 4.230 50 0 EIAARN Cc1cccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000002209399 564121197 /nfs/dbraw/zinc/12/11/97/564121197.db2.gz NLVMNUJERALHLX-UHFFFAOYSA-N 0 0 341.798 4.270 50 0 EIAARN COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000007652750 564121549 /nfs/dbraw/zinc/12/15/49/564121549.db2.gz RLDYCSNQOIOQLU-INIZCTEOSA-N 0 0 348.446 4.307 50 0 EIAARN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000007671749 564121791 /nfs/dbraw/zinc/12/17/91/564121791.db2.gz PNUFLKDIQMPYIN-JTQLQIEISA-N 0 0 343.295 4.404 50 0 EIAARN COc1cccc(CC(=O)N(C)C(c2ccccc2)c2ccccc2)c1 ZINC000007699066 564122028 /nfs/dbraw/zinc/12/20/28/564122028.db2.gz UKOSREPKBDAEEP-UHFFFAOYSA-N 0 0 345.442 4.486 50 0 EIAARN C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)c1c[nH]c2ccccc21 ZINC000007703430 564122092 /nfs/dbraw/zinc/12/20/92/564122092.db2.gz XLZCVSZGZZNJHA-CYBMUJFWSA-N 0 0 346.386 4.088 50 0 EIAARN COc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000007723894 564122237 /nfs/dbraw/zinc/12/22/37/564122237.db2.gz AAQPHKOBZBDRTK-UHFFFAOYSA-N 0 0 346.358 4.349 50 0 EIAARN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc(F)c1 ZINC000007723907 564122262 /nfs/dbraw/zinc/12/22/62/564122262.db2.gz GHBZOMCADPPIML-UHFFFAOYSA-N 0 0 334.322 4.480 50 0 EIAARN Cc1ccsc1C(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007737893 564122540 /nfs/dbraw/zinc/12/25/40/564122540.db2.gz QMYKOXKABNJGQM-UHSVVUDUSA-N 0 0 332.465 4.387 50 0 EIAARN Cc1ccc(C)n1-c1sccc1C(=O)Oc1ccc2c(c1)OCO2 ZINC000007737851 564122541 /nfs/dbraw/zinc/12/25/41/564122541.db2.gz ZNYVMOCZVKHQGZ-UHFFFAOYSA-N 0 0 341.388 4.104 50 0 EIAARN Cc1cc(-c2csc(C)n2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000007763274 564122895 /nfs/dbraw/zinc/12/28/95/564122895.db2.gz ZZCMGMGFKMYZCH-UHFFFAOYSA-N 0 0 326.421 4.314 50 0 EIAARN COc1ccc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)cc1 ZINC000007769624 564122912 /nfs/dbraw/zinc/12/29/12/564122912.db2.gz KUYRUWXQFXAZSR-UHFFFAOYSA-N 0 0 340.423 4.322 50 0 EIAARN Cn1c(SCc2cc(-c3cccs3)on2)nnc1-c1ccco1 ZINC000007765946 564122923 /nfs/dbraw/zinc/12/29/23/564122923.db2.gz PQCTVENAYSPRBQ-UHFFFAOYSA-N 0 0 344.421 4.084 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)CN(Cc1ccc(F)cc1)C1CC1 ZINC000007788804 564123309 /nfs/dbraw/zinc/12/33/09/564123309.db2.gz VFJHONPCJCMHAR-UHFFFAOYSA-N 0 0 336.410 4.463 50 0 EIAARN O=C(Nc1ccnn1Cc1cccs1)c1ccc2ccccc2c1 ZINC000007793795 564123422 /nfs/dbraw/zinc/12/34/22/564123422.db2.gz XSGGVTNAWDIRRS-UHFFFAOYSA-N 0 0 333.416 4.398 50 0 EIAARN CC(=O)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000015125046 564123549 /nfs/dbraw/zinc/12/35/49/564123549.db2.gz PWUYUHZQLNTNBX-UHFFFAOYSA-N 0 0 337.206 4.247 50 0 EIAARN Cc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)cc1F ZINC000195559149 564123871 /nfs/dbraw/zinc/12/38/71/564123871.db2.gz RTUANOQVQZIVAI-OAQYLSRUSA-N 0 0 325.836 4.278 50 0 EIAARN CC(=O)N(C)c1ccc(NCc2sccc2Br)cc1 ZINC000195564551 564123887 /nfs/dbraw/zinc/12/38/87/564123887.db2.gz KFEPDDBILNLYPX-UHFFFAOYSA-N 0 0 339.258 4.105 50 0 EIAARN Cc1ccccc1-c1noc(-c2ccccc2C(=O)NCC(C)C)n1 ZINC000002224440 564124097 /nfs/dbraw/zinc/12/40/97/564124097.db2.gz DTPVJPZNWHJIGK-UHFFFAOYSA-N 0 0 335.407 4.098 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1C1CC1 ZINC000007886038 564124419 /nfs/dbraw/zinc/12/44/19/564124419.db2.gz KIAKROHFOHYXAQ-MRXNPFEDSA-N 0 0 332.325 4.434 50 0 EIAARN CCOc1cccc(=Nc2ccc3c(c2)OCO3)c2c(C)oc(C)c21 ZINC000252666142 564124782 /nfs/dbraw/zinc/12/47/82/564124782.db2.gz APMOJZJIKAOQGQ-UHFFFAOYSA-N 0 0 337.375 4.409 50 0 EIAARN Cc1[nH]nc2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C2 ZINC000252693862 564124962 /nfs/dbraw/zinc/12/49/62/564124962.db2.gz GHWUZZCCPXLMSI-VNZWKAMASA-N 0 0 328.500 4.135 50 0 EIAARN O=C(CCn1ccc2ccccc21)Nc1cccc(Br)c1 ZINC000007914244 564125118 /nfs/dbraw/zinc/12/51/18/564125118.db2.gz NRIWHAPKOJZGMD-UHFFFAOYSA-N 0 0 343.224 4.433 50 0 EIAARN CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004081723 564128960 /nfs/dbraw/zinc/12/89/60/564128960.db2.gz FRQMUZJSZHZSGN-FBGUWHDQSA-N 0 0 344.495 4.084 50 0 biogenic EIAARN O=C(NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1Cl ZINC000019894043 564129074 /nfs/dbraw/zinc/12/90/74/564129074.db2.gz QKYIYKBAWRGKBJ-UHFFFAOYSA-N 0 0 331.696 4.428 50 0 EIAARN Cc1nsc2ncn(Cc3sc4ccccc4c3Cl)c(=O)c12 ZINC000253401076 564130603 /nfs/dbraw/zinc/13/06/03/564130603.db2.gz XCKZTPNGWODMNO-UHFFFAOYSA-N 0 0 347.852 4.078 50 0 EIAARN Cc1ncc(C(=O)Nc2nc3cc(Cl)ccc3s2)c(C2CC2)n1 ZINC000253423822 564131045 /nfs/dbraw/zinc/13/10/45/564131045.db2.gz GJKGUIRIXDDUIX-UHFFFAOYSA-N 0 0 344.827 4.178 50 0 EIAARN COc1ccc([C@@H](C)CNc2ccc(C(=O)NC(C)C)cc2C)cc1 ZINC000253428072 564131244 /nfs/dbraw/zinc/13/12/44/564131244.db2.gz ORWLQRMCRMFAMI-INIZCTEOSA-N 0 0 340.467 4.357 50 0 EIAARN Cc1nc([C@@H]2CCCCN2C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000584884259 564131388 /nfs/dbraw/zinc/13/13/88/564131388.db2.gz YQOKGYDJNRUSRJ-AWEZNQCLSA-N 0 0 325.243 4.039 50 0 EIAARN CC(C)(C)c1cn2nc(N3CC(C)(C)[C@@H]3c3cccnc3)sc2n1 ZINC000253432350 564131849 /nfs/dbraw/zinc/13/18/49/564131849.db2.gz JTMKOJCUOHSQBN-AWEZNQCLSA-N 0 0 341.484 4.071 50 0 EIAARN COc1ccc(-c2nc(C=C3SC(=S)NC3=O)cs2)cc1 ZINC000056682241 564132986 /nfs/dbraw/zinc/13/29/86/564132986.db2.gz UUJYNHUSJXGYJL-IZZDOVSWSA-N 0 0 334.447 4.148 50 0 EIAARN O=C(CCC1CCCC1)N(C(=O)CCC1CCCC1)c1ncccn1 ZINC000018190955 564133733 /nfs/dbraw/zinc/13/37/33/564133733.db2.gz CVZPWHHBRQVNDT-UHFFFAOYSA-N 0 0 343.471 4.277 50 0 EIAARN Cc1nc(C(=O)NCc2ccncc2)c(-c2ccccc2Cl)s1 ZINC000252488066 564133771 /nfs/dbraw/zinc/13/37/71/564133771.db2.gz IIPXAXXQIQHZRM-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCC(C)C)CC1=O ZINC000027792512 564134544 /nfs/dbraw/zinc/13/45/44/564134544.db2.gz NWLPJBAKHYOIIK-INIZCTEOSA-N 0 0 327.472 4.198 50 0 EIAARN COc1ccc(Oc2ncccc2NC(=O)c2ccoc2Cl)cc1 ZINC000225476969 564135113 /nfs/dbraw/zinc/13/51/13/564135113.db2.gz DPZLYMGOQFCWMX-UHFFFAOYSA-N 0 0 344.754 4.381 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000007947219 564135472 /nfs/dbraw/zinc/13/54/72/564135472.db2.gz XRURVVVTPVXRPH-UHFFFAOYSA-N 0 0 347.827 4.331 50 0 EIAARN O=C(Nc1ccccc1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000012756069 564135520 /nfs/dbraw/zinc/13/55/20/564135520.db2.gz PHMWURKBCLVCRT-UHFFFAOYSA-N 0 0 337.448 4.151 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000013012290 564135892 /nfs/dbraw/zinc/13/58/92/564135892.db2.gz WPAKKAADQIZZJJ-HNNXBMFYSA-N 0 0 333.387 4.448 50 0 EIAARN O=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000013040365 564135952 /nfs/dbraw/zinc/13/59/52/564135952.db2.gz KMIADRFBVWEULS-UHFFFAOYSA-N 0 0 326.827 4.068 50 0 EIAARN O=c1[nH]cccc1-c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000013125619 564136035 /nfs/dbraw/zinc/13/60/35/564136035.db2.gz WETRQKBZSCHOJO-UHFFFAOYSA-N 0 0 335.794 4.093 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1scnc1CCc1ccncc1 ZINC000014946539 564136421 /nfs/dbraw/zinc/13/64/21/564136421.db2.gz OHULTBSHVBNCQY-UHFFFAOYSA-N 0 0 343.839 4.229 50 0 EIAARN CC(C)c1nc(-c2ccccc2NC(=O)c2cccc3cc[nH]c32)n[nH]1 ZINC000079697121 564138301 /nfs/dbraw/zinc/13/83/01/564138301.db2.gz KQJOIWSJRJJWPZ-UHFFFAOYSA-N 0 0 345.406 4.329 50 0 EIAARN O=C(NC1(c2cccs2)CCCC1)c1ccc(Br)o1 ZINC000390826728 564138493 /nfs/dbraw/zinc/13/84/93/564138493.db2.gz BHNPRPQJOGCYBW-UHFFFAOYSA-N 0 0 340.242 4.303 50 0 EIAARN CCCc1nnsc1C(=O)N[C@@H](c1ccsc1)c1cccs1 ZINC000390826784 564138500 /nfs/dbraw/zinc/13/85/00/564138500.db2.gz PJWPWOPUMCBFRI-ZDUSSCGKSA-N 0 0 349.506 4.133 50 0 EIAARN O=C(c1cc(-c2cccnc2)on1)N1CCCC[C@@H](c2ccccc2)C1 ZINC000390828064 564138545 /nfs/dbraw/zinc/13/85/45/564138545.db2.gz OGBDBNOVYDXAOZ-GOSISDBHSA-N 0 0 347.418 4.147 50 0 EIAARN CCOc1ccccc1C(=O)NCCc1ccc(-c2ccoc2)s1 ZINC000390828145 564138562 /nfs/dbraw/zinc/13/85/62/564138562.db2.gz ACYUTOZMGHQMMG-UHFFFAOYSA-N 0 0 341.432 4.379 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000390831756 564138676 /nfs/dbraw/zinc/13/86/76/564138676.db2.gz UQUUXENIPNCBAQ-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN CCO[C@H](C)c1ncc(-c2nc(-c3ccc(F)c(OC)c3)no2)s1 ZINC000390833678 564138830 /nfs/dbraw/zinc/13/88/30/564138830.db2.gz LIAXIDMQOHISQU-SECBINFHSA-N 0 0 349.387 4.105 50 0 EIAARN Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCn3ccnc3C2)c1 ZINC000390835614 564139027 /nfs/dbraw/zinc/13/90/27/564139027.db2.gz SLOQCUVULJBMSZ-UHFFFAOYSA-N 0 0 348.406 4.032 50 0 EIAARN CCc1nc([C@@H](C)Nc2ccc3c(c2)C(=O)NC3)oc1-c1ccccc1 ZINC000124880554 564139092 /nfs/dbraw/zinc/13/90/92/564139092.db2.gz MFGZZTVPODVPIY-CYBMUJFWSA-N 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564145336 /nfs/dbraw/zinc/14/53/36/564145336.db2.gz DSYKMGQVGCYXFM-CQSZACIVSA-N 0 0 349.521 4.434 50 0 EIAARN CO[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccc(C)s1 ZINC000096104710 564145348 /nfs/dbraw/zinc/14/53/48/564145348.db2.gz MZLQJHJCDBLPND-CYBMUJFWSA-N 0 0 343.370 4.193 50 0 EIAARN O=C(c1ccc2ncsc2c1)N1CCC(c2cccs2)CC1 ZINC000096120590 564145569 /nfs/dbraw/zinc/14/55/69/564145569.db2.gz NDSWHLMUHYOMDG-UHFFFAOYSA-N 0 0 328.462 4.378 50 0 EIAARN O=C(NCCCc1ccccc1)c1cccc(Oc2ccccn2)c1 ZINC000096122632 564145606 /nfs/dbraw/zinc/14/56/06/564145606.db2.gz YSHSTCFZYJCINV-UHFFFAOYSA-N 0 0 332.403 4.237 50 0 EIAARN CCOC(=O)/C=C\c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000096130052 564145735 /nfs/dbraw/zinc/14/57/35/564145735.db2.gz ZIBLVNHYRNFLDJ-UNJUUPHPSA-N 0 0 342.395 4.047 50 0 EIAARN CC1(C)CC(=O)Nc2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc21 ZINC000096183000 564145880 /nfs/dbraw/zinc/14/58/80/564145880.db2.gz DKYCJPNBJNCDSN-HOTGVXAUSA-N 0 0 334.419 4.049 50 0 EIAARN c1c2ccccc2oc1-c1nnc2sc(COc3ccccc3)nn21 ZINC000096193873 564145978 /nfs/dbraw/zinc/14/59/78/564145978.db2.gz SBSDNGUVOMRZRK-UHFFFAOYSA-N 0 0 348.387 4.178 50 0 EIAARN O=C(C[C@@H](c1c[nH]c2ccccc21)C1CCCCC1)N1CCOCC1 ZINC000096275569 564146209 /nfs/dbraw/zinc/14/62/09/564146209.db2.gz FMQRUVHXBSRBDD-GOSISDBHSA-N 0 0 340.467 4.081 50 0 EIAARN C[C@@H](NC(=O)/C=C\c1cccs1)c1nc(-c2cccnc2)cs1 ZINC000096265966 564146219 /nfs/dbraw/zinc/14/62/19/564146219.db2.gz AGXYWEGSPNUFQI-ZHRWSRJISA-N 0 0 341.461 4.157 50 0 EIAARN COc1ccc2[nH]cc([C@H](CC(=O)NCc3ccco3)C(C)C)c2c1 ZINC000096278397 564146329 /nfs/dbraw/zinc/14/63/29/564146329.db2.gz RTVSAXXPKIEKEC-MRXNPFEDSA-N 0 0 340.423 4.216 50 0 EIAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2/C=C\c2ccco2)cc1 ZINC000096291580 564146433 /nfs/dbraw/zinc/14/64/33/564146433.db2.gz KFCROCWORHNZMR-CBUFDYBVSA-N 0 0 346.386 4.400 50 0 EIAARN O=c1[nH]c(C(Cl)=Cc2c[nH]c(-c3ccccc3)n2)nc2ccccc12 ZINC000096297575 564146610 /nfs/dbraw/zinc/14/66/10/564146610.db2.gz JCMKHAGMZUPCEY-GDNBJRDFSA-N 0 0 348.793 4.050 50 0 EIAARN O=C(/C=C\c1ccc2c(c1)CCO2)OCc1coc(-c2ccccc2)n1 ZINC000096297754 564146615 /nfs/dbraw/zinc/14/66/15/564146615.db2.gz VRSCIRWCJZPROM-CLFYSBASSA-N 0 0 347.370 4.033 50 0 EIAARN Cc1nc(C)c(C(=O)NCc2ccccc2-c2ccsc2)s1 ZINC000096383401 564146920 /nfs/dbraw/zinc/14/69/20/564146920.db2.gz AYRMATYQRWIDMZ-UHFFFAOYSA-N 0 0 328.462 4.418 50 0 EIAARN CO[C@H](CNC(=O)Cc1cccc2ccccc21)c1cccc(F)c1 ZINC000096388142 564146965 /nfs/dbraw/zinc/14/69/65/564146965.db2.gz FJJVQCMJJFAAFG-HXUWFJFHSA-N 0 0 337.394 4.025 50 0 EIAARN C[C@H](NC(=O)N(C)Cc1cccnc1)c1ccccc1C(F)(F)F ZINC000096405211 564147289 /nfs/dbraw/zinc/14/72/89/564147289.db2.gz KMSOOVSKQKJICW-LBPRGKRZSA-N 0 0 337.345 4.003 50 0 EIAARN CC[C@H](C)CN(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000096407985 564147439 /nfs/dbraw/zinc/14/74/39/564147439.db2.gz MGLULQODDPTCIQ-PSLXWICFSA-N 0 0 338.517 4.244 50 0 EIAARN C[C@@H](NC(=O)NCc1nccs1)c1cccc(Cl)c1Cl ZINC000096410465 564147591 /nfs/dbraw/zinc/14/75/91/564147591.db2.gz VXZDKWYCGSNRRU-MRVPVSSYSA-N 0 0 330.240 4.010 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(-c2cnco2)cc1 ZINC000096416831 564147836 /nfs/dbraw/zinc/14/78/36/564147836.db2.gz HSZBTKPFQOBYQL-SFHVURJKSA-N 0 0 335.407 4.350 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000096418053 564147856 /nfs/dbraw/zinc/14/78/56/564147856.db2.gz BKZVZCQGHHNXPP-AWEZNQCLSA-N 0 0 330.432 4.372 50 0 EIAARN CSC[C@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000096417999 564147876 /nfs/dbraw/zinc/14/78/76/564147876.db2.gz SGEYMLYLWFFIKO-LBPRGKRZSA-N 0 0 333.482 4.027 50 0 EIAARN CN(Cc1ccncc1)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000096418124 564147884 /nfs/dbraw/zinc/14/78/84/564147884.db2.gz JISSZRSYHJXLSN-UHFFFAOYSA-N 0 0 339.439 4.205 50 0 EIAARN CCc1nnc([C@@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)o1 ZINC000096436904 564148047 /nfs/dbraw/zinc/14/80/47/564148047.db2.gz XABQFWNZSXRXDL-GFCCVEGCSA-N 0 0 329.400 4.237 50 0 EIAARN Cc1csc(CN(C)Cc2nc3cc(C(F)(F)F)ccc3o2)n1 ZINC000096477944 564148521 /nfs/dbraw/zinc/14/85/21/564148521.db2.gz XZPRTHWPZYNCKH-UHFFFAOYSA-N 0 0 341.358 4.244 50 0 EIAARN C[C@H](Sc1nnc(COc2ccccc2Cl)o1)C(F)(F)F ZINC000096480844 564148601 /nfs/dbraw/zinc/14/86/01/564148601.db2.gz SUIMTCGKWNDCLO-ZETCQYMHSA-N 0 0 338.738 4.345 50 0 EIAARN Cc1nc(CNC(=O)N[C@@H](CC2CCC2)c2ccccc2)oc1C ZINC000096497009 564148758 /nfs/dbraw/zinc/14/87/58/564148758.db2.gz UEQDMDCXWLASHX-KRWDZBQOSA-N 0 0 327.428 4.022 50 0 EIAARN Cc1cc(=O)c(C(=O)N2CCC[C@@H](C)c3ccccc32)cn1C1CC1 ZINC000283375096 564148905 /nfs/dbraw/zinc/14/89/05/564148905.db2.gz JSTMJZRCDNUEGM-CQSZACIVSA-N 0 0 336.435 4.036 50 0 EIAARN C[C@H](Nc1cnn(CC(F)(F)F)c1)c1ncc(-c2ccccc2)o1 ZINC000126332689 564148933 /nfs/dbraw/zinc/14/89/33/564148933.db2.gz YBSGJJCOHXGWMK-NSHDSACASA-N 0 0 336.317 4.274 50 0 EIAARN CN(Cc1nc(-c2ccccc2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000096791702 564148978 /nfs/dbraw/zinc/14/89/78/564148978.db2.gz QGRRAJXNCNURFK-UHFFFAOYSA-N 0 0 347.340 4.387 50 0 EIAARN Cc1ncccc1N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000097038301 564149260 /nfs/dbraw/zinc/14/92/60/564149260.db2.gz KYYGJTHCRHILJW-LLVKDONJSA-N 0 0 337.345 4.238 50 0 EIAARN CO[C@H](C)c1nc(CSCc2cn3c(cccc3C)n2)cs1 ZINC000097083837 564149324 /nfs/dbraw/zinc/14/93/24/564149324.db2.gz SUHATEZAPMAEFF-GFCCVEGCSA-N 0 0 333.482 4.240 50 0 EIAARN CSc1ccccc1C(=O)NC[C@@H](O)c1csc2ccccc21 ZINC000225692662 564150316 /nfs/dbraw/zinc/15/03/16/564150316.db2.gz AOMHKQASTMRDCC-OAHLLOKOSA-N 0 0 343.473 4.087 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2cccnc21 ZINC000002543371 564150650 /nfs/dbraw/zinc/15/06/50/564150650.db2.gz AHLJNJRWGRXEIR-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(OC2CCCC2)cc1 ZINC000028228483 564150782 /nfs/dbraw/zinc/15/07/82/564150782.db2.gz KIPKKDAPKMHJGD-UHFFFAOYSA-N 0 0 339.391 4.032 50 0 EIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000028246162 564150802 /nfs/dbraw/zinc/15/08/02/564150802.db2.gz GEOYOBZCIZBPEE-GFCCVEGCSA-N 0 0 341.798 4.136 50 0 EIAARN Cc1c2ccccc2oc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000002618498 564151162 /nfs/dbraw/zinc/15/11/62/564151162.db2.gz IVJJCFNTQSYPDL-UHFFFAOYSA-N 0 0 334.331 4.148 50 0 EIAARN CCc1ccc(C(=O)CSc2nnc(-c3cccs3)o2)cc1 ZINC000002622761 564151256 /nfs/dbraw/zinc/15/12/56/564151256.db2.gz XKSXXVIIZKGVLZ-UHFFFAOYSA-N 0 0 330.434 4.336 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)NCc2cccc(Cl)c2)cc1 ZINC000002630694 564151462 /nfs/dbraw/zinc/15/14/62/564151462.db2.gz SQROHIALXARYBV-UHFFFAOYSA-N 0 0 345.826 4.018 50 0 EIAARN C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000002632908 564151492 /nfs/dbraw/zinc/15/14/92/564151492.db2.gz MPONUORKLAZGEY-CHWSQXEVSA-N 0 0 349.352 4.451 50 0 EIAARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c(C)o1 ZINC000002636364 564151610 /nfs/dbraw/zinc/15/16/10/564151610.db2.gz SBIJOFXGBIZTRQ-UHFFFAOYSA-N 0 0 349.386 4.359 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(C(C)=O)cc1 ZINC000002653868 564151941 /nfs/dbraw/zinc/15/19/41/564151941.db2.gz LSWLZXIDBUOQRJ-CQSZACIVSA-N 0 0 325.408 4.420 50 0 EIAARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)nc2ccccc21 ZINC000002656448 564151988 /nfs/dbraw/zinc/15/19/88/564151988.db2.gz IFEIEQPLJVJJIL-UHFFFAOYSA-N 0 0 349.386 4.111 50 0 EIAARN CC[C@]1(c2ccccc2)NC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000002657978 564152003 /nfs/dbraw/zinc/15/20/03/564152003.db2.gz SLIJEURHBVBMNI-JOCHJYFZSA-N 0 0 344.414 4.197 50 0 EIAARN COc1cccc(C(=O)NCCSc2c(C)[nH]c3ccccc32)c1 ZINC000002721084 564152230 /nfs/dbraw/zinc/15/22/30/564152230.db2.gz UELBNZNLUGEEJM-UHFFFAOYSA-N 0 0 340.448 4.007 50 0 EIAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(Cl)c1 ZINC000002721937 564152283 /nfs/dbraw/zinc/15/22/83/564152283.db2.gz STMFYUXDETVPPJ-UHFFFAOYSA-N 0 0 342.782 4.250 50 0 EIAARN CCn1cc([C@H](C)NC(=O)c2cccc(Oc3ccccc3)c2)c(C)n1 ZINC000002758686 564152459 /nfs/dbraw/zinc/15/24/59/564152459.db2.gz UDHQPPIHSXBJBR-HNNXBMFYSA-N 0 0 349.434 4.495 50 0 EIAARN Cc1c(Cl)c(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)nn1C ZINC000002804600 564152790 /nfs/dbraw/zinc/15/27/90/564152790.db2.gz JXSFOCZKZNUOCO-UHFFFAOYSA-N 0 0 342.708 4.118 50 0 EIAARN O=C(CCSCc1cccc(Cl)c1)NCc1ccc(F)cc1 ZINC000002943763 564153156 /nfs/dbraw/zinc/15/31/56/564153156.db2.gz VHXBBHYFMXRYLO-UHFFFAOYSA-N 0 0 337.847 4.419 50 0 EIAARN CN(Cc1ccccn1)c1nc(-c2ccsc2)nc2ccccc21 ZINC000057139922 564153294 /nfs/dbraw/zinc/15/32/94/564153294.db2.gz XJBOIEMDJWXKBB-UHFFFAOYSA-N 0 0 332.432 4.390 50 0 EIAARN O=C(/C=C/c1ccc(-c2ccccc2F)s1)NCc1ccccn1 ZINC000029517428 564153619 /nfs/dbraw/zinc/15/36/19/564153619.db2.gz COFICBXPDBMYHF-PKNBQFBNSA-N 0 0 338.407 4.279 50 0 EIAARN CCc1cc2c(ncnc2N2CCC(c3ccc(O)cc3)CC2)s1 ZINC000029531012 564153711 /nfs/dbraw/zinc/15/37/11/564153711.db2.gz XUITUPZMYXTKAI-UHFFFAOYSA-N 0 0 339.464 4.343 50 0 EIAARN COc1ccc2nc(C)c(C(=O)N[C@@H](C)CCc3ccccc3)cc2c1 ZINC000029697401 564153739 /nfs/dbraw/zinc/15/37/39/564153739.db2.gz GYQCTLFHDZIRGQ-HNNXBMFYSA-N 0 0 348.446 4.303 50 0 EIAARN O=C(CCSCc1ccccc1Cl)NCc1ccc(F)cc1 ZINC000002953806 564153774 /nfs/dbraw/zinc/15/37/74/564153774.db2.gz KRFROHUENZHESB-UHFFFAOYSA-N 0 0 337.847 4.419 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412246 564154085 /nfs/dbraw/zinc/15/40/85/564154085.db2.gz RMMLOMNNPLJMHU-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN COc1ccc(C)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000057412522 564154148 /nfs/dbraw/zinc/15/41/48/564154148.db2.gz XRLDDVMWIJYRGA-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN COCCN(C(=S)Nc1ccccc1F)[C@@H](C)c1cccs1 ZINC000003007966 564154334 /nfs/dbraw/zinc/15/43/34/564154334.db2.gz BJEDBJSIYADBAW-LBPRGKRZSA-N 0 0 338.473 4.294 50 0 EIAARN C[C@@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2)[nH]c1=S ZINC000057451892 564154342 /nfs/dbraw/zinc/15/43/42/564154342.db2.gz JFICNSMYHHXVDX-GFCCVEGCSA-N 0 0 342.493 4.246 50 0 EIAARN O=C(CCSCc1ccccc1Cl)NCCc1ccccc1 ZINC000003031912 564154547 /nfs/dbraw/zinc/15/45/47/564154547.db2.gz WYCPXWWKTMNMQI-UHFFFAOYSA-N 0 0 333.884 4.322 50 0 EIAARN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCCOC ZINC000003040568 564154625 /nfs/dbraw/zinc/15/46/25/564154625.db2.gz CSUBXXGALLHMJL-UHFFFAOYSA-N 0 0 348.446 4.231 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(COc3ccccc3)cs2)s1 ZINC000003215850 564156068 /nfs/dbraw/zinc/15/60/68/564156068.db2.gz DOVZULKVXUXJFB-UHFFFAOYSA-N 0 0 330.434 4.344 50 0 EIAARN CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003215406 564156076 /nfs/dbraw/zinc/15/60/76/564156076.db2.gz WZGKNCBGVAVRPJ-UHFFFAOYSA-N 0 0 337.398 4.160 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000003216385 564156081 /nfs/dbraw/zinc/15/60/81/564156081.db2.gz LYOPYBSYPVCZBI-MRXNPFEDSA-N 0 0 345.826 4.324 50 0 EIAARN Cc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1 ZINC000003234328 564156397 /nfs/dbraw/zinc/15/63/97/564156397.db2.gz OFHGMGJCGZLUNK-UHFFFAOYSA-N 0 0 331.828 4.456 50 0 EIAARN O=C(Cc1ccccc1F)OCC(=O)c1ccc(Cl)cc1Cl ZINC000003239225 564156429 /nfs/dbraw/zinc/15/64/29/564156429.db2.gz RQONAPZYABGLJX-UHFFFAOYSA-N 0 0 341.165 4.101 50 0 EIAARN O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C\c1cccc(Cl)c1 ZINC000003248354 564156574 /nfs/dbraw/zinc/15/65/74/564156574.db2.gz MBCACCZPLPBASO-ZSOIEALJSA-N 0 0 349.720 4.286 50 0 EIAARN O=C(CCC(=O)c1ccc(F)cc1)OCc1nc2ccccc2s1 ZINC000003248670 564156580 /nfs/dbraw/zinc/15/65/80/564156580.db2.gz LOUNSIKSQWOQDV-UHFFFAOYSA-N 0 0 343.379 4.142 50 0 EIAARN O=C(CSc1ncnc2ccccc21)Nc1ccccc1Cl ZINC000003280583 564156910 /nfs/dbraw/zinc/15/69/10/564156910.db2.gz NPXLTPBTUDTDBN-UHFFFAOYSA-N 0 0 329.812 4.014 50 0 EIAARN O=C(Cc1ccccc1F)OCc1csc(-c2ccccc2)n1 ZINC000003291032 564157097 /nfs/dbraw/zinc/15/70/97/564157097.db2.gz FTYOZPQLVZFBGC-UHFFFAOYSA-N 0 0 327.380 4.235 50 0 EIAARN Cc1ccc2[nH]c([C@H](NC(=O)c3cccn3C3CC3)C(C)C)nc2c1 ZINC000670437124 564157225 /nfs/dbraw/zinc/15/72/25/564157225.db2.gz HJPCOFSTEAWXJX-GOSISDBHSA-N 0 0 336.439 4.135 50 0 EIAARN COc1cc(Cl)c(C)cc1NCC(=O)N1CCCc2ccccc21 ZINC000003343281 564157508 /nfs/dbraw/zinc/15/75/08/564157508.db2.gz RTBADUAQZYNSMZ-UHFFFAOYSA-N 0 0 344.842 4.048 50 0 EIAARN COc1ccc(CC(=O)N(c2nc(C)cs2)c2ccccc2)cc1 ZINC000003350543 564157600 /nfs/dbraw/zinc/15/76/00/564157600.db2.gz XVTHSJQFUXJVEC-UHFFFAOYSA-N 0 0 338.432 4.368 50 0 EIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000003503708 564158546 /nfs/dbraw/zinc/15/85/46/564158546.db2.gz KTAINNSIIODGKB-UHFFFAOYSA-N 0 0 331.828 4.256 50 0 EIAARN COc1ccc2c(CC(=O)Nc3ccccc3OC(F)F)coc2c1 ZINC000003528528 564158724 /nfs/dbraw/zinc/15/87/24/564158724.db2.gz SWSUDZFQPFMNKC-UHFFFAOYSA-N 0 0 347.317 4.224 50 0 EIAARN C[C@H]1CN(C(=O)c2cccc3ccccc32)C[C@@H](c2ccccc2)O1 ZINC000058427124 564159094 /nfs/dbraw/zinc/15/90/94/564159094.db2.gz SLOUOPQKWSRCJR-KKSFZXQISA-N 0 0 331.415 4.442 50 0 EIAARN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1sc2ccccc2c1Cl ZINC000031255816 564159216 /nfs/dbraw/zinc/15/92/16/564159216.db2.gz AJGDXIOLDXVWMB-UHFFFAOYSA-N 0 0 344.779 4.242 50 0 EIAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C/C=C/Cl)CC2 ZINC000058470013 564159217 /nfs/dbraw/zinc/15/92/17/564159217.db2.gz WQYVZGUFTQCEPQ-WEBJUUICSA-N 0 0 349.883 4.465 50 0 EIAARN O=C(c1ccnc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031394098 564159345 /nfs/dbraw/zinc/15/93/45/564159345.db2.gz LKHAGAGIKJRLAH-CYBMUJFWSA-N 0 0 343.839 4.322 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(C)o1 ZINC000031389716 564159354 /nfs/dbraw/zinc/15/93/54/564159354.db2.gz OVLJCSYZOPXEDW-OAHLLOKOSA-N 0 0 326.421 4.483 50 0 EIAARN O=C(CSCc1csc(-c2ccco2)n1)NC1CCCCC1 ZINC000031420498 564159380 /nfs/dbraw/zinc/15/93/80/564159380.db2.gz FEIHOOWRZPIHJM-UHFFFAOYSA-N 0 0 336.482 4.085 50 0 EIAARN O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000031474466 564159412 /nfs/dbraw/zinc/15/94/12/564159412.db2.gz HPJUGKHQZOEGDD-UHFFFAOYSA-N 0 0 346.377 4.069 50 0 EIAARN Cc1nc(SCc2noc(CC(C)C)n2)[nH]c1Cc1ccccc1 ZINC000031439789 564159425 /nfs/dbraw/zinc/15/94/25/564159425.db2.gz OUHOZRSQZKNLLP-UHFFFAOYSA-N 0 0 342.468 4.183 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1F ZINC000031537152 564159529 /nfs/dbraw/zinc/15/95/29/564159529.db2.gz PZMIIQYSQWWQJZ-UHFFFAOYSA-N 0 0 349.365 4.034 50 0 EIAARN Cc1c(C(=O)Nc2cccc(-c3ncco3)c2C)cnn1CC(C)C ZINC000355660093 564159549 /nfs/dbraw/zinc/15/95/49/564159549.db2.gz DUWSFBDFESKJTP-UHFFFAOYSA-N 0 0 338.411 4.063 50 0 EIAARN COc1c(C)ccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000031722710 564159772 /nfs/dbraw/zinc/15/97/72/564159772.db2.gz OVXWMXXDLISTDC-UHFFFAOYSA-N 0 0 341.432 4.266 50 0 EIAARN CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccccc1OC(F)F ZINC000031756371 564159791 /nfs/dbraw/zinc/15/97/91/564159791.db2.gz YGKQEUOPTZCRMG-OAHLLOKOSA-N 0 0 335.350 4.178 50 0 EIAARN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)n1cnc2ccccc21 ZINC000031835996 564160015 /nfs/dbraw/zinc/16/00/15/564160015.db2.gz YVICPUXFNCIDAC-INIZCTEOSA-N 0 0 348.450 4.226 50 0 EIAARN C[C@H]1CC(=O)N(CCOc2cccc3ccccc32)c2ccccc2N1 ZINC000031903337 564160164 /nfs/dbraw/zinc/16/01/64/564160164.db2.gz YDQBAVNQTMLJLT-INIZCTEOSA-N 0 0 346.430 4.456 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)o1 ZINC000229275853 564160478 /nfs/dbraw/zinc/16/04/78/564160478.db2.gz HHEUMLCXUGWBLW-FMKPAKJESA-N 0 0 344.480 4.198 50 0 EIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccnc(Cl)c1 ZINC000032342034 564161233 /nfs/dbraw/zinc/16/12/33/564161233.db2.gz KGZBMCFMLBZNPV-JTQLQIEISA-N 0 0 331.828 4.178 50 0 EIAARN CC(=O)Nc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1 ZINC000032398343 564161343 /nfs/dbraw/zinc/16/13/43/564161343.db2.gz SESLVTZTZGRDRZ-SFHVURJKSA-N 0 0 342.464 4.368 50 0 EIAARN Cc1csc(N(C(=O)c2cn3c(cccc3C)n2)c2ccccc2)n1 ZINC000007983173 564161743 /nfs/dbraw/zinc/16/17/43/564161743.db2.gz HFSYDTVCHWCSRJ-UHFFFAOYSA-N 0 0 348.431 4.386 50 0 EIAARN Cc1nnc(SCc2cn3cc(C)ccc3n2)n1-c1ccc(C)cc1 ZINC000008012326 564162140 /nfs/dbraw/zinc/16/21/40/564162140.db2.gz GOEOGTGOKSLCHA-UHFFFAOYSA-N 0 0 349.463 4.133 50 0 EIAARN CSc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 ZINC000008049338 564162374 /nfs/dbraw/zinc/16/23/74/564162374.db2.gz XPWVMSOLNNRTBQ-UHFFFAOYSA-N 0 0 339.420 4.030 50 0 EIAARN CCc1nnsc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000008061391 564162447 /nfs/dbraw/zinc/16/24/47/564162447.db2.gz ZGZSOPQOMPQBSI-UHFFFAOYSA-N 0 0 344.465 4.093 50 0 EIAARN Cc1cc(C)n(CCCNC(=O)c2cccc(Oc3ccccc3)c2)n1 ZINC000008074885 564162521 /nfs/dbraw/zinc/16/25/21/564162521.db2.gz SJASMIOFYCPKRC-UHFFFAOYSA-N 0 0 349.434 4.112 50 0 EIAARN COc1ccc([C@H](NC(=O)CCc2ccco2)c2ccccc2)cc1 ZINC000008075698 564162561 /nfs/dbraw/zinc/16/25/61/564162561.db2.gz PUKMQOMRCIQIHL-OAQYLSRUSA-N 0 0 335.403 4.127 50 0 EIAARN Cc1nc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2o1 ZINC000008110046 564162727 /nfs/dbraw/zinc/16/27/27/564162727.db2.gz DSTYUXXRYBINEL-UHFFFAOYSA-N 0 0 344.436 4.235 50 0 EIAARN O=C(Nc1ccc(OCCOc2ccccc2F)cc1)c1ccco1 ZINC000008192753 564163481 /nfs/dbraw/zinc/16/34/81/564163481.db2.gz AKOFUZIAAHHCNX-UHFFFAOYSA-N 0 0 341.338 4.129 50 0 EIAARN C[C@@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc2ccccc2c1 ZINC000008226131 564163629 /nfs/dbraw/zinc/16/36/29/564163629.db2.gz HDJYGLSVYROHOK-HNNXBMFYSA-N 0 0 336.410 4.438 50 0 EIAARN COc1cccc(CNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 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Cc1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)co1 ZINC000188189755 1059318209 /nfs/dbraw/zinc/31/82/09/1059318209.db2.gz FRWBLLLOJNDNJQ-GOSISDBHSA-N 0 0 325.408 4.246 50 0 EIAARN Cc1cccc(C(=O)N2CCCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000581776549 1059977961 /nfs/dbraw/zinc/97/79/61/1059977961.db2.gz YXHYVUVEKFBAJV-SFHVURJKSA-N 0 0 346.434 4.148 50 0 EIAARN O=C(N1CC[C@H](CCOc2ccccc2)C1)C1(c2ccccc2)CC1 ZINC000581788831 1059989573 /nfs/dbraw/zinc/98/95/73/1059989573.db2.gz XPNJNXVZXOTJEY-GOSISDBHSA-N 0 0 335.447 4.036 50 0 EIAARN Cc1ccc(OCC[C@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 ZINC000581788830 1059991492 /nfs/dbraw/zinc/99/14/92/1059991492.db2.gz XJDKQVUIYIGGNC-QGZVFWFLSA-N 0 0 348.446 4.408 50 0 EIAARN COc1ccccc1OCC[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000581788724 1059993954 /nfs/dbraw/zinc/99/39/54/1059993954.db2.gz UDUMSZUMRFPTLB-SFHVURJKSA-N 0 0 345.483 4.283 50 0 EIAARN CCO[C@H]1CCOC2(CCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1 ZINC000581783738 1059994206 /nfs/dbraw/zinc/99/42/06/1059994206.db2.gz 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/nfs/dbraw/zinc/26/59/63/210265963.db2.gz WLBYIHKXZRQKID-IBGZPJMESA-N 0 0 347.418 4.197 50 0 EIAARN COc1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2)o1 ZINC000004740059 210265971 /nfs/dbraw/zinc/26/59/71/210265971.db2.gz HTYOHQXPOBPUIE-UHFFFAOYSA-N 0 0 337.375 4.428 50 0 EIAARN COc1cccc(-c2cc(C(=O)Nc3cccc(SC)c3)n[nH]2)c1 ZINC000051315609 214088090 /nfs/dbraw/zinc/08/80/90/214088090.db2.gz GKHVBIHUOXJBCG-UHFFFAOYSA-N 0 0 339.420 4.060 50 0 EIAARN CCOc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 ZINC000051354330 214090091 /nfs/dbraw/zinc/09/00/91/214090091.db2.gz BCLLMDVJIJSUQK-UHFFFAOYSA-N 0 0 335.201 4.492 50 0 EIAARN Cc1ccc(Nc2c(-c3ccccc3O)nc3ncccn32)c(C)c1 ZINC000004734246 210263578 /nfs/dbraw/zinc/26/35/78/210263578.db2.gz ITKDDUADCCMHNF-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN Fc1ccc([C@H]2CCCN2Cc2csc(-c3ncccn3)n2)cc1 ZINC000051375980 214092594 /nfs/dbraw/zinc/09/25/94/214092594.db2.gz AZCBIPBUGWYUDY-MRXNPFEDSA-N 0 0 340.427 4.076 50 0 EIAARN CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 ZINC000052990899 214158892 /nfs/dbraw/zinc/15/88/92/214158892.db2.gz RLYMKQJXZXXIMS-UHFFFAOYSA-N 0 0 338.451 4.156 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2cccc3ccccc32)c1C ZINC000053017019 214160220 /nfs/dbraw/zinc/16/02/20/214160220.db2.gz RRISNKHHLVZDGB-UHFFFAOYSA-N 0 0 348.446 4.302 50 0 EIAARN Clc1snnc1CN(Cc1ccco1)Cc1cccs1 ZINC000052916680 214155014 /nfs/dbraw/zinc/15/50/14/214155014.db2.gz PTUVJRDIEOHZSB-UHFFFAOYSA-N 0 0 325.846 4.048 50 0 EIAARN CC(=O)N1[C@@H](Nc2ccc(Cl)cc2)C[C@@H](C)N1c1ccccc1 ZINC000004723597 210259297 /nfs/dbraw/zinc/25/92/97/210259297.db2.gz ADQFNWFAIRDXIZ-FZKQIMNGSA-N 0 0 329.831 4.140 50 0 EIAARN C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000053232820 214171628 /nfs/dbraw/zinc/17/16/28/214171628.db2.gz SGTCXJJBBCETGM-SNVBAGLBSA-N 0 0 333.844 4.243 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)on1 ZINC000053400686 214181826 /nfs/dbraw/zinc/18/18/26/214181826.db2.gz SSDCASCLPNARTR-GFCCVEGCSA-N 0 0 345.449 4.145 50 0 EIAARN COc1ccc(N(C)C(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000004705181 210254558 /nfs/dbraw/zinc/25/45/58/210254558.db2.gz QOEMPDOLUKRSSH-UHFFFAOYSA-N 0 0 327.409 4.282 50 0 EIAARN C[C@@H](c1ccccc1Cl)N(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000054176043 214222117 /nfs/dbraw/zinc/22/21/17/214222117.db2.gz MHTSNRFJYLDTEK-ZDUSSCGKSA-N 0 0 328.843 4.165 50 0 EIAARN O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccccc1C(F)(F)F ZINC000054225615 214224496 /nfs/dbraw/zinc/22/44/96/214224496.db2.gz RBLMRGMJFMQHET-UHFFFAOYSA-N 0 0 349.287 4.283 50 0 EIAARN CCOc1cccc(OCCOCCOc2cccc(Cl)c2)c1 ZINC000004702114 210253403 /nfs/dbraw/zinc/25/34/03/210253403.db2.gz KWQNGOPSFDWUQH-UHFFFAOYSA-N 0 0 336.815 4.213 50 0 EIAARN Fc1ccccc1NC(=S)NCc1coc(-c2cccs2)n1 ZINC000054301041 214230287 /nfs/dbraw/zinc/23/02/87/214230287.db2.gz VPGXNLWLERCMPK-UHFFFAOYSA-N 0 0 333.413 4.029 50 0 EIAARN O=c1ccc(-c2ccccc2)nn1CCOc1ccc2ccccc2c1 ZINC000054657967 214248560 /nfs/dbraw/zinc/24/85/60/214248560.db2.gz ZQTGUDHTHGVOSR-UHFFFAOYSA-N 0 0 342.398 4.143 50 0 EIAARN CSc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000004700587 210251617 /nfs/dbraw/zinc/25/16/17/210251617.db2.gz GJUGLTDZBSAPAE-UHFFFAOYSA-N 0 0 330.434 4.281 50 0 EIAARN Cc1ccc(C(=O)N(C)CCOC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004698557 210251665 /nfs/dbraw/zinc/25/16/65/210251665.db2.gz KCYAJLBSRCMWIG-UHFFFAOYSA-N 0 0 327.468 4.052 50 0 EIAARN CN(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000054844810 214258855 /nfs/dbraw/zinc/25/88/55/214258855.db2.gz IVRCDGNYIZKABM-BUHFOSPRSA-N 0 0 332.403 4.407 50 0 EIAARN CCCC[C@@H]1C=CCN1C(=O)Nc1cc(NC(=O)CC)ccc1F ZINC000097743478 219053457 /nfs/dbraw/zinc/05/34/57/219053457.db2.gz BUVJQACLODSKPX-CQSZACIVSA-N 0 0 333.407 4.137 50 0 EIAARN O=C([O-])c1ccccc1C[N@H+]1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000055119840 214276106 /nfs/dbraw/zinc/27/61/06/214276106.db2.gz SNYSYTUGGRUQDD-SFHVURJKSA-N 0 0 339.435 4.078 50 0 EIAARN CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(Br)c2)C1=O ZINC000004695931 210250133 /nfs/dbraw/zinc/25/01/33/210250133.db2.gz POQSZIOMVXPHDP-YXYQAXARSA-N 0 0 340.242 4.284 50 0 EIAARN C[C@H](c1cccnc1)N(C)C(=O)CCSCc1ccc(F)cc1 ZINC000055168008 214283617 /nfs/dbraw/zinc/28/36/17/214283617.db2.gz GWXFVTCZELHZNL-CQSZACIVSA-N 0 0 332.444 4.064 50 0 EIAARN CCCN(C/C=C/c1ccccc1)C(=O)Cc1nc(C)sc1C ZINC000055182762 214284368 /nfs/dbraw/zinc/28/43/68/214284368.db2.gz KGMOJNJVZGOTPV-DHZHZOJOSA-N 0 0 328.481 4.254 50 0 EIAARN CCOc1ccc(CCCC(=O)N[C@H](C)CCCC(C)(C)O)cc1C ZINC000055183286 214285732 /nfs/dbraw/zinc/28/57/32/214285732.db2.gz LDIRKJHAGSYDRA-QGZVFWFLSA-N 0 0 349.515 4.162 50 0 EIAARN Cc1nn(C)c(Cl)c1CN(Cc1ccsc1)Cc1cccnc1 ZINC000055211598 214290005 /nfs/dbraw/zinc/29/00/05/214290005.db2.gz ZELSQGJHFXPDPU-UHFFFAOYSA-N 0 0 346.887 4.041 50 0 EIAARN CCCCOc1c(CN(C)[C@@H](C)c2cccnc2)cccc1OC ZINC000055211617 214290292 /nfs/dbraw/zinc/29/02/92/214290292.db2.gz OLPFAPXUPDYJTQ-INIZCTEOSA-N 0 0 328.456 4.462 50 0 EIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CN1[C@H](C)c1ccccc1 ZINC000055345594 214310494 /nfs/dbraw/zinc/31/04/94/214310494.db2.gz BLLGOPLLCDRJQD-OOYAWMOSSA-N 0 0 329.484 4.436 50 0 biogenic,in-vitro EIAARN Cn1c(CNC(c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000055439703 214323762 /nfs/dbraw/zinc/32/37/62/214323762.db2.gz HUKYEIDUCACTTD-UHFFFAOYSA-N 0 0 327.431 4.453 50 0 EIAARN CC(=O)c1cc(CC(=O)N2CCC[C@H]2c2ccccc2C)cs1 ZINC000097775667 219056843 /nfs/dbraw/zinc/05/68/43/219056843.db2.gz BUMGYNXEJRWRKC-KRWDZBQOSA-N 0 0 327.449 4.165 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@]3(CCCO3)CC2)c2cccc(C)c2n1 ZINC000097784883 219056868 /nfs/dbraw/zinc/05/68/68/219056868.db2.gz SQEUVBXIOFCHJI-NRFANRHFSA-N 0 0 338.451 4.027 50 0 EIAARN CCOc1ccccc1CN(CC)C(=O)c1csc(C(C)=O)c1 ZINC000055576195 214332312 /nfs/dbraw/zinc/33/23/12/214332312.db2.gz GTJDUWYGMOLTRV-UHFFFAOYSA-N 0 0 331.437 4.012 50 0 EIAARN Cc1cc(/C=C\C(=O)NC[C@H]2CCCOC2)c(C)n1C1CCCCC1 ZINC000055922540 214348966 /nfs/dbraw/zinc/34/89/66/214348966.db2.gz DAASZFLZINHEFX-RXQFDZFGSA-N 0 0 344.499 4.166 50 0 EIAARN C[C@H](c1ccco1)N(C(=O)Cc1coc(-c2ccccc2)n1)C1CC1 ZINC000056183167 214364595 /nfs/dbraw/zinc/36/45/95/214364595.db2.gz GZSCUAVFJFHUKR-CQSZACIVSA-N 0 0 336.391 4.229 50 0 EIAARN CCCNC(=O)c1ccc(NC(=O)c2c(C)oc(C)c2C)cc1Cl ZINC000056151783 214361871 /nfs/dbraw/zinc/36/18/71/214361871.db2.gz RTBDIBXZEVJAAA-UHFFFAOYSA-N 0 0 348.830 4.250 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)NC1CCCC1 ZINC000056356886 214373067 /nfs/dbraw/zinc/37/30/67/214373067.db2.gz ILLJAUKDAMUVJN-UHFFFAOYSA-N 0 0 347.802 4.249 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)c2[nH]c3ccccc3c2Cl)no1 ZINC000056631457 214381212 /nfs/dbraw/zinc/38/12/12/214381212.db2.gz HFXXHLINCHATQZ-AWEZNQCLSA-N 0 0 329.787 4.095 50 0 EIAARN O=C(Nc1cccnc1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000057768615 214450128 /nfs/dbraw/zinc/45/01/28/214450128.db2.gz DHPXYHQLIPSFHW-INIZCTEOSA-N 0 0 341.461 4.384 50 0 EIAARN C[C@@H](N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl ZINC000057816054 214453010 /nfs/dbraw/zinc/45/30/10/214453010.db2.gz JRBMEBKRDFUZIT-DNVCBOLYSA-N 0 0 342.870 4.354 50 0 EIAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)OCC(F)(F)F ZINC000058035766 214473870 /nfs/dbraw/zinc/47/38/70/214473870.db2.gz PCXZXUOFJDXKMV-UHFFFAOYSA-N 0 0 341.314 4.174 50 0 EIAARN COc1ccc(/C=C/c2nn3c(nnc3-c3cccc(C)c3)s2)cc1 ZINC000004667819 210241936 /nfs/dbraw/zinc/24/19/36/210241936.db2.gz HUCURLXTDYTWRO-DHZHZOJOSA-N 0 0 348.431 4.340 50 0 EIAARN CCCN(CCC)C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1 ZINC000004664726 210241781 /nfs/dbraw/zinc/24/17/81/210241781.db2.gz PRCNIRSXAUBOSC-SDXDJHTJSA-N 0 0 337.423 4.145 50 0 EIAARN CCOC(=O)CCCCCCNC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000058167250 214490995 /nfs/dbraw/zinc/49/09/95/214490995.db2.gz LRUVZKALABAWOL-LJQANCHMSA-N 0 0 348.487 4.197 50 0 EIAARN COc1cccc(/C=C\C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000097986227 219065927 /nfs/dbraw/zinc/06/59/27/219065927.db2.gz UELXSJOEBZKPAL-HJWRWDBZSA-N 0 0 335.325 4.044 50 0 EIAARN CC(C)c1nc(CCNC(=O)[C@@H](C)SCc2ccccc2)cs1 ZINC000058246800 214516381 /nfs/dbraw/zinc/51/63/81/214516381.db2.gz KIYNUXCCACNITB-CQSZACIVSA-N 0 0 348.537 4.247 50 0 EIAARN CCN(C(=O)c1csc(C2CC2)n1)c1nc2ccccc2s1 ZINC000058266979 214522608 /nfs/dbraw/zinc/52/26/08/214522608.db2.gz XHVUOZLQDAMYKM-UHFFFAOYSA-N 0 0 329.450 4.297 50 0 EIAARN CSc1ccc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)cc1 ZINC000097998194 219067669 /nfs/dbraw/zinc/06/76/69/219067669.db2.gz VMASAQXWGBKKGC-OVCLIPMQSA-N 0 0 331.343 4.031 50 0 EIAARN CCC[C@H](NS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004651016 210237147 /nfs/dbraw/zinc/23/71/47/210237147.db2.gz GWALBXYNXWJIGA-DRZUXFPHSA-N 0 0 347.524 4.350 50 0 EIAARN COc1ccc(/C=C\C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 ZINC000098006849 219068177 /nfs/dbraw/zinc/06/81/77/219068177.db2.gz ZQYIHYQAZLQBTQ-WCIBSUBMSA-N 0 0 334.375 4.366 50 0 EIAARN CC(C)CC(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058326133 214546012 /nfs/dbraw/zinc/54/60/12/214546012.db2.gz MWBZDQNLJXAHCW-UHFFFAOYSA-N 0 0 347.409 4.107 50 0 EIAARN C(=C\c1cccnc1)\c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000098010025 219068377 /nfs/dbraw/zinc/06/83/77/219068377.db2.gz CHWQLKKFEFMWKK-KHPPLWFESA-N 0 0 342.358 4.489 50 0 EIAARN CCOc1ccc2c(cc(C(=O)Nc3cc(C)ccc3F)n2C)c1 ZINC000049728965 214030665 /nfs/dbraw/zinc/03/06/65/214030665.db2.gz VMXQUCYNBCMILF-UHFFFAOYSA-N 0 0 326.371 4.277 50 0 EIAARN COc1ccc(CNC(=O)[C@@H](Sc2ccccc2)C(C)C)cc1 ZINC000058341739 214553693 /nfs/dbraw/zinc/55/36/93/214553693.db2.gz SWKIJYACHZJBCP-SFHVURJKSA-N 0 0 329.465 4.128 50 0 EIAARN CCOc1ccc2c(cc(C(=O)Nc3ccccc3OCC)n2C)c1 ZINC000049728963 214030289 /nfs/dbraw/zinc/03/02/89/214030289.db2.gz IXYIHQFCJCJHSW-UHFFFAOYSA-N 0 0 338.407 4.228 50 0 EIAARN CCCn1cc(C(=O)N2CCC(n3cccc3)CC2)c2ccccc21 ZINC000058393656 214571459 /nfs/dbraw/zinc/57/14/59/214571459.db2.gz ZRMFDZXBBUSRLU-UHFFFAOYSA-N 0 0 335.451 4.330 50 0 EIAARN COC(=O)CCCCCCCCCCNC(=O)c1cccs1 ZINC000004610393 210232283 /nfs/dbraw/zinc/23/22/83/210232283.db2.gz LQNBAYQYNQTXJT-UHFFFAOYSA-N 0 0 325.474 4.162 50 0 EIAARN CC(C)(C)c1ccc(OCc2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000004615043 210232023 /nfs/dbraw/zinc/23/20/23/210232023.db2.gz PVQDXPFCPXTODN-UHFFFAOYSA-N 0 0 349.438 4.074 50 0 EIAARN Cc1cccc2c(=O)[nH]c(CN[C@H](C)c3ccc4ccccc4c3)nc12 ZINC000049609460 214022605 /nfs/dbraw/zinc/02/26/05/214022605.db2.gz MDPQYJCHDUETOF-OAHLLOKOSA-N 0 0 343.430 4.236 50 0 EIAARN O=C(C[C@H]1CCCO1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000049621381 214022105 /nfs/dbraw/zinc/02/21/05/214022105.db2.gz BJDDJPUUVNONCG-UTKZUKDTSA-N 0 0 335.403 4.208 50 0 EIAARN CO[C@](F)(C(=O)Oc1ccc2c(c1)oc1ccccc12)C(F)(F)F ZINC000004593633 210229361 /nfs/dbraw/zinc/22/93/61/210229361.db2.gz QWOJWQJXMMFGPU-OAHLLOKOSA-N 0 0 342.244 4.366 50 0 EIAARN CCOC(=O)c1ccc(COC(=O)c2cccc3ccccc32)cc1 ZINC000004593201 210228756 /nfs/dbraw/zinc/22/87/56/210228756.db2.gz NKFXZKSKHVPDMV-UHFFFAOYSA-N 0 0 334.371 4.374 50 0 EIAARN CCC(CC)C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 ZINC000004585503 210228164 /nfs/dbraw/zinc/22/81/64/210228164.db2.gz BEVXOZXVZBYSNI-UHFFFAOYSA-N 0 0 349.434 4.069 50 0 EIAARN CCSc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)NC)c1 ZINC000004585801 210227936 /nfs/dbraw/zinc/22/79/36/210227936.db2.gz WBKQKILAFNUOLH-UHFFFAOYSA-N 0 0 348.493 4.089 50 0 EIAARN Cn1ncc2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl ZINC000049549791 214017451 /nfs/dbraw/zinc/01/74/51/214017451.db2.gz JDUKJQBOKLBVBU-GFCCVEGCSA-N 0 0 328.224 4.151 50 0 EIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccsc1)C1CC1 ZINC000060137876 214629470 /nfs/dbraw/zinc/62/94/70/214629470.db2.gz TVPLFNIOJTUHDH-GFCCVEGCSA-N 0 0 335.856 4.360 50 0 EIAARN Cc1cccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c1 ZINC000004584510 210226431 /nfs/dbraw/zinc/22/64/31/210226431.db2.gz MEWDYQWNSNIWAO-UHFFFAOYSA-N 0 0 340.839 4.265 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000049544388 214016792 /nfs/dbraw/zinc/01/67/92/214016792.db2.gz SGOGNQPIVNHDHB-GOSISDBHSA-N 0 0 347.418 4.165 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@H]2c1cccc(OCc2ccccc2)c1 ZINC000049545852 214016573 /nfs/dbraw/zinc/01/65/73/214016573.db2.gz LLBPWXAMGDTYQY-KRWDZBQOSA-N 0 0 333.391 4.123 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1nc2ccccc2s1 ZINC000004570480 210223920 /nfs/dbraw/zinc/22/39/20/210223920.db2.gz PGAYQAURDAFEIX-UHFFFAOYSA-N 0 0 346.433 4.014 50 0 EIAARN CCc1ccc(N(C(=O)Nc2ccccc2OC)C2=NCCC2)cc1 ZINC000004570542 210223648 /nfs/dbraw/zinc/22/36/48/210223648.db2.gz XKRCDHIRUMKWDR-UHFFFAOYSA-N 0 0 337.423 4.488 50 0 EIAARN O=C(OCc1ccno1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000060764712 214646694 /nfs/dbraw/zinc/64/66/94/214646694.db2.gz ARLZCVOVYAKRTR-UHFFFAOYSA-N 0 0 337.253 4.310 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000060992210 214653051 /nfs/dbraw/zinc/65/30/51/214653051.db2.gz PNAHIPGIRDHQFD-RDTXWAMCSA-N 0 0 346.519 4.242 50 0 EIAARN CN(C(=O)CNc1ccc2nc(C3CC3)sc2c1)c1ccccc1 ZINC000063890526 214775171 /nfs/dbraw/zinc/77/51/71/214775171.db2.gz FPVWZDQQBRZTHX-UHFFFAOYSA-N 0 0 337.448 4.249 50 0 EIAARN COc1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000004541793 210216945 /nfs/dbraw/zinc/21/69/45/210216945.db2.gz ASMIHABOOYAZND-JXMROGBWSA-N 0 0 332.197 4.110 50 0 EIAARN COc1cccc2sc(NC(=O)c3ccccc3SC)nc21 ZINC000004517368 210211438 /nfs/dbraw/zinc/21/14/38/210211438.db2.gz GHFYHKSVHLBYAX-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)C2c3ccccc3-c3ccccc32)cc1 ZINC000004503062 210207051 /nfs/dbraw/zinc/20/70/51/210207051.db2.gz RHBQMTSNZHBGCM-UHFFFAOYSA-N 0 0 342.398 4.396 50 0 EIAARN Cc1nc2cc(NC(=O)CSc3ccc(F)cc3)ccc2s1 ZINC000004496720 210203805 /nfs/dbraw/zinc/20/38/05/210203805.db2.gz KKOXXUOBRCFOHQ-UHFFFAOYSA-N 0 0 332.425 4.475 50 0 EIAARN Cc1nn(C[C@@H](O)COc2ccc3ccccc3c2Cl)c(C)c1C ZINC000004487279 210201897 /nfs/dbraw/zinc/20/18/97/210201897.db2.gz RUQWPSFGTOSERO-MRXNPFEDSA-N 0 0 344.842 4.055 50 0 EIAARN COc1cc2nc(NC(=O)c3ccccc3Cl)sc2cc1OC ZINC000004479895 210197979 /nfs/dbraw/zinc/19/79/79/210197979.db2.gz FUVZPJHFIPWOSF-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN CCCCOc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1 ZINC000004472112 210195618 /nfs/dbraw/zinc/19/56/18/210195618.db2.gz PUOTVTZIULWAPR-AQTBWJFISA-N 0 0 339.366 4.349 50 0 EIAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000100744408 219105303 /nfs/dbraw/zinc/10/53/03/219105303.db2.gz FASWWPQUJBMJRU-UIAACRFSSA-N 0 0 349.430 4.191 50 0 EIAARN COc1ccc2[nH]cc(C[C@H]3C(=O)Nc4cc(Cl)ccc43)c2c1 ZINC000100794387 219107134 /nfs/dbraw/zinc/10/71/34/219107134.db2.gz IQBXGQDHLSQCCZ-OAHLLOKOSA-N 0 0 326.783 4.108 50 0 biogenic EIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccccc2F)cc1 ZINC000064579945 214794674 /nfs/dbraw/zinc/79/46/74/214794674.db2.gz FVKXMSQTUZZJFF-IBGZPJMESA-N 0 0 327.399 4.131 50 0 EIAARN Cc1cccc(-c2noc(CN(C(=O)C3CCCCC3)C(C)C)n2)c1 ZINC000004384539 210184847 /nfs/dbraw/zinc/18/48/47/210184847.db2.gz RRFFFYRPMZJDAM-UHFFFAOYSA-N 0 0 341.455 4.362 50 0 EIAARN CC(C)c1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2CCO)cc1 ZINC000004389072 210186366 /nfs/dbraw/zinc/18/63/66/210186366.db2.gz OVCZOLKPFIIYMW-IRLDBZIGSA-N 0 0 334.463 4.126 50 0 EIAARN O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100974687 219113049 /nfs/dbraw/zinc/11/30/49/219113049.db2.gz OYCALXJOVMZJNH-UWVGGRQHSA-N 0 0 330.598 4.016 50 0 EIAARN CCN1c2ccc(Br)cc2[C@@H](Cc2cccc(C)c2)C1=O ZINC000101014235 219113953 /nfs/dbraw/zinc/11/39/53/219113953.db2.gz RRENEEYNYDYLDB-MRXNPFEDSA-N 0 0 344.252 4.450 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818509 214806847 /nfs/dbraw/zinc/80/68/47/214806847.db2.gz RHCQSPIPFGZXIN-UHFFFAOYSA-N 0 0 340.814 4.452 50 0 EIAARN Cc1cccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c1C ZINC000064818515 214807158 /nfs/dbraw/zinc/80/71/58/214807158.db2.gz KMDLHBFSSJQAIY-UHFFFAOYSA-N 0 0 334.423 4.416 50 0 EIAARN Cc1ccc(Sc2c(Sc3ccc(C)cc3)c(=O)c2=O)cc1 ZINC000004366289 210180031 /nfs/dbraw/zinc/18/00/31/210180031.db2.gz FRNLBCQCRQRWHG-UHFFFAOYSA-N 0 0 326.442 4.202 50 0 EIAARN Cc1ccc(C[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2C)cc1 ZINC000101152261 219117714 /nfs/dbraw/zinc/11/77/14/219117714.db2.gz HGVYNGSVGNPDNN-CZUORRHYSA-N 0 0 341.838 4.325 50 0 EIAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)c2ccco2)cc1 ZINC000064887898 214813067 /nfs/dbraw/zinc/81/30/67/214813067.db2.gz HGMZFEGFBJBKKD-UHFFFAOYSA-N 0 0 345.402 4.035 50 0 EIAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2NCCC(C)C ZINC000004354773 210179291 /nfs/dbraw/zinc/17/92/91/210179291.db2.gz CGEOJYDYTQTUQY-UHFFFAOYSA-N 0 0 329.835 4.235 50 0 EIAARN COc1cc(C=O)cc(Br)c1OCc1ccccc1C ZINC000004342693 210176445 /nfs/dbraw/zinc/17/64/45/210176445.db2.gz RNJCWJUAYVSQIK-UHFFFAOYSA-N 0 0 335.197 4.158 50 0 EIAARN CCC(=O)Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000004340116 210175741 /nfs/dbraw/zinc/17/57/41/210175741.db2.gz UJEKNTNFTOSTRV-UHFFFAOYSA-N 0 0 328.751 4.429 50 0 EIAARN CC(=O)NCc1ccc(-c2noc(-c3ccc(C(C)C)cc3)n2)s1 ZINC000065096916 214828402 /nfs/dbraw/zinc/82/84/02/214828402.db2.gz RZURCCTWDBSRGP-UHFFFAOYSA-N 0 0 341.436 4.225 50 0 EIAARN CSc1nnc(CCCCCCCCc2nnc(SC)o2)o1 ZINC000004336784 210174993 /nfs/dbraw/zinc/17/49/93/210174993.db2.gz JRSNHJAVLQCLMW-UHFFFAOYSA-N 0 0 342.490 4.022 50 0 EIAARN Cc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)Cc1cccs1 ZINC000065149315 214832115 /nfs/dbraw/zinc/83/21/15/214832115.db2.gz LDLTYRKRDRRCCG-UHFFFAOYSA-N 0 0 347.465 4.473 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000101376198 219125283 /nfs/dbraw/zinc/12/52/83/219125283.db2.gz FVAOBAAJFRWURS-COPLHBTASA-N 0 0 330.255 4.456 50 0 EIAARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1ccccc1 ZINC000065149407 214833137 /nfs/dbraw/zinc/83/31/37/214833137.db2.gz XIKNNFNHFZBXRQ-UHFFFAOYSA-N 0 0 325.393 4.236 50 0 EIAARN CCOc1ccc(C(=O)NCc2cccnc2-c2ccccc2)cc1 ZINC000065171409 214837976 /nfs/dbraw/zinc/83/79/76/214837976.db2.gz VFYGLOGMLHFXSR-UHFFFAOYSA-N 0 0 332.403 4.077 50 0 EIAARN Cc1c(Cl)cccc1N[C@H]1SC(=O)N(c2ccccc2)C1=O ZINC000004321075 210170270 /nfs/dbraw/zinc/17/02/70/210170270.db2.gz VFOYXKCBBKJOSX-AWEZNQCLSA-N 0 0 332.812 4.286 50 0 EIAARN CSc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 ZINC000004303510 210165311 /nfs/dbraw/zinc/16/53/11/210165311.db2.gz INQYDPBVNYLFGI-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN Cc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 ZINC000004305024 210164570 /nfs/dbraw/zinc/16/45/70/210164570.db2.gz DYQJVZIMUYVBNI-HXUWFJFHSA-N 0 0 346.430 4.122 50 0 EIAARN Cc1nc2c3ccccc3oc2c(NCc2ccc3c(c2)OCO3)n1 ZINC000004302100 210163997 /nfs/dbraw/zinc/16/39/97/210163997.db2.gz ZVFVQGJMFAKUDH-UHFFFAOYSA-N 0 0 333.347 4.025 50 0 EIAARN Cc1noc(-c2cnc3nc(C)ccc3c2Nc2cc(F)ccc2C)n1 ZINC000065250594 214853939 /nfs/dbraw/zinc/85/39/39/214853939.db2.gz HYAMBFAPHQHJPO-UHFFFAOYSA-N 0 0 349.369 4.488 50 0 EIAARN O=C(C=Cc1ccccc1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000048344869 213926462 /nfs/dbraw/zinc/92/64/62/213926462.db2.gz RFLWFSGVPPZBEE-VEGGFIAOSA-N 0 0 333.391 4.066 50 0 EIAARN COC(=O)c1ccsc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004281335 210160830 /nfs/dbraw/zinc/16/08/30/210160830.db2.gz FQQZWLGQJCWNSS-UHFFFAOYSA-N 0 0 337.400 4.454 50 0 EIAARN CCNC(=O)c1cccc(C)c1OCc1coc(-c2cccs2)n1 ZINC000048308527 213916904 /nfs/dbraw/zinc/91/69/04/213916904.db2.gz ALUOJKKTXDDFND-UHFFFAOYSA-N 0 0 342.420 4.040 50 0 EIAARN Cc1ccc(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1 ZINC000048313242 213918945 /nfs/dbraw/zinc/91/89/45/213918945.db2.gz NZYGDPZUTKBMDT-UHFFFAOYSA-N 0 0 344.458 4.470 50 0 EIAARN COc1ccc(OC)c(Nc2c(-c3ccccc3)nc3cnccn32)c1 ZINC000065323316 214871239 /nfs/dbraw/zinc/87/12/39/214871239.db2.gz CSIFMRQVSVTNOG-UHFFFAOYSA-N 0 0 346.390 4.157 50 0 EIAARN Cc1ccc(CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)cc1 ZINC000004250074 210152481 /nfs/dbraw/zinc/15/24/81/210152481.db2.gz MUYSFFLMFFEDLE-UHFFFAOYSA-N 0 0 348.431 4.098 50 0 EIAARN Cc1nc(-c2c(-c3ccccc3)ncn2CCOc2ccccc2)c[nH]1 ZINC000065381485 214880982 /nfs/dbraw/zinc/88/09/82/214880982.db2.gz PYMPYQKYXDMBKR-UHFFFAOYSA-N 0 0 344.418 4.328 50 0 EIAARN COc1ccc(NC(=O)c2ccc(SC(C)C)cc2)cc1OC ZINC000048209578 213896073 /nfs/dbraw/zinc/89/60/73/213896073.db2.gz DUYHLIDCLJHZBG-UHFFFAOYSA-N 0 0 331.437 4.457 50 0 EIAARN CCCCc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)cc1 ZINC000004225222 210147215 /nfs/dbraw/zinc/14/72/15/210147215.db2.gz ZDJZFCQRZQODCF-MRXNPFEDSA-N 0 0 333.435 4.426 50 0 EIAARN Cc1nn(C)c(C)c1-c1ccnc(N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000048090868 213887965 /nfs/dbraw/zinc/88/79/65/213887965.db2.gz NNECGRABUIPGPH-LLVKDONJSA-N 0 0 341.846 4.320 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2nc3ccccc3s2)cc1C ZINC000004194695 210143970 /nfs/dbraw/zinc/14/39/70/210143970.db2.gz IWXADDOVHIXMRH-UHFFFAOYSA-N 0 0 346.433 4.095 50 0 EIAARN NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 ZINC000004176850 210140327 /nfs/dbraw/zinc/14/03/27/210140327.db2.gz LXUWBPYUSXHLKL-UHFFFAOYSA-N 0 0 348.855 4.022 50 0 EIAARN C[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000004174477 210139873 /nfs/dbraw/zinc/13/98/73/210139873.db2.gz IOVFEZHGRVSDRP-LBPRGKRZSA-N 0 0 341.461 4.324 50 0 EIAARN O=C(c1ccccc1)c1ccc2[nH]c(SCc3cccnc3)nc2c1 ZINC000004171667 210139102 /nfs/dbraw/zinc/13/91/02/210139102.db2.gz IDVXPZZNAAPEAD-UHFFFAOYSA-N 0 0 345.427 4.481 50 0 EIAARN Cc1ccc(-c2nsc(SCC(=O)N3CCCCCC3)n2)cc1 ZINC000004167316 210138888 /nfs/dbraw/zinc/13/88/88/210138888.db2.gz OFYNWDLTWITUOI-UHFFFAOYSA-N 0 0 347.509 4.008 50 0 EIAARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1Cc1cccs1 ZINC000004173546 210138198 /nfs/dbraw/zinc/13/81/98/210138198.db2.gz QOQFOOITYCIKOO-UHFFFAOYSA-N 0 0 327.792 4.351 50 0 EIAARN Cc1sc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nc1-c1ccc(C)cc1 ZINC000101669902 219153930 /nfs/dbraw/zinc/15/39/30/219153930.db2.gz KPZDCXZHTWBGGQ-GASCZTMLSA-N 0 0 340.448 4.107 50 0 EIAARN NC(=O)c1cccc(CSc2nc3cc(Cl)ccc3s2)c1 ZINC000047438611 213849327 /nfs/dbraw/zinc/84/93/27/213849327.db2.gz GGYMHNSTNAAUDL-UHFFFAOYSA-N 0 0 334.853 4.341 50 0 EIAARN OCc1cnc(SCc2ccc(F)cc2)n1CCc1ccccc1 ZINC000004157445 210134359 /nfs/dbraw/zinc/13/43/59/210134359.db2.gz OBKRILWPWOHVHJ-UHFFFAOYSA-N 0 0 342.439 4.050 50 0 EIAARN Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000004140740 210131171 /nfs/dbraw/zinc/13/11/71/210131171.db2.gz JJGHVQNGNRZIMN-QGZVFWFLSA-N 0 0 325.371 4.498 50 0 EIAARN COc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1OC ZINC000004139500 210130542 /nfs/dbraw/zinc/13/05/42/210130542.db2.gz GRSLWTICOZDPPC-UHFFFAOYSA-N 0 0 327.409 4.274 50 0 EIAARN NC(=O)c1oc2ccccc2c1NC(=O)c1cc(Cl)ccc1Cl ZINC000004135080 210129595 /nfs/dbraw/zinc/12/95/95/210129595.db2.gz OHSLHQIEWSDHGG-UHFFFAOYSA-N 0 0 349.173 4.091 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCN=C1SCc1cccc(F)c1 ZINC000004119875 210125562 /nfs/dbraw/zinc/12/55/62/210125562.db2.gz XQBGCLPGTGKODR-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCN=C1SCc1ccc(F)cc1 ZINC000004119946 210125263 /nfs/dbraw/zinc/12/52/63/210125263.db2.gz ZYIULVPUAIGKCU-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN Cc1ccc(CSC2=NCCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000004120376 210125137 /nfs/dbraw/zinc/12/51/37/210125137.db2.gz OCTBWQMFUUTVPO-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000046650267 213805176 /nfs/dbraw/zinc/80/51/76/213805176.db2.gz FZWFSKOUZQJNBU-CZUORRHYSA-N 0 0 348.402 4.044 50 0 EIAARN CCCCCOc1cccc(C(=O)Nc2nnc(-c3ccco3)o2)c1 ZINC000004107288 210122010 /nfs/dbraw/zinc/12/20/10/210122010.db2.gz APFXJWGEKQGRAA-UHFFFAOYSA-N 0 0 341.367 4.151 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)cc1C ZINC000004088592 210117946 /nfs/dbraw/zinc/11/79/46/210117946.db2.gz FGDPHQHIIZLNHE-UHFFFAOYSA-N 0 0 346.433 4.095 50 0 EIAARN CCCCNC(=S)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000004088086 210116891 /nfs/dbraw/zinc/11/68/91/210116891.db2.gz ICQWBCHATNSMKT-QGZVFWFLSA-N 0 0 347.915 4.221 50 0 EIAARN CSc1cccc(N(C)C(=O)c2cc(C)n(-c3ccccc3)n2)c1 ZINC000101833237 219166477 /nfs/dbraw/zinc/16/64/77/219166477.db2.gz RWVNBGPLMPDLTB-UHFFFAOYSA-N 0 0 337.448 4.179 50 0 EIAARN O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccccc1 ZINC000004078297 210114987 /nfs/dbraw/zinc/11/49/87/210114987.db2.gz BUWUWOUNNWSMER-UHFFFAOYSA-N 0 0 345.424 4.222 50 0 EIAARN O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccccc1F ZINC000004077220 210114876 /nfs/dbraw/zinc/11/48/76/210114876.db2.gz HVTCJTRPNQSUCH-UHFFFAOYSA-N 0 0 339.395 4.011 50 0 EIAARN Brc1cc(Br)c2nc3c(cc2c1)CCC3 ZINC000004051027 210108992 /nfs/dbraw/zinc/10/89/92/210108992.db2.gz DAHMUJBHSOWVNQ-UHFFFAOYSA-N 0 0 327.019 4.249 50 0 EIAARN COc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1 ZINC000004031766 210104071 /nfs/dbraw/zinc/10/40/71/210104071.db2.gz XQUOGOQYORWAMM-UHFFFAOYSA-N 0 0 341.414 4.191 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000004033350 210104948 /nfs/dbraw/zinc/10/49/48/210104948.db2.gz ZTQVZVRIBLHFLX-MRXNPFEDSA-N 0 0 333.435 4.194 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1 ZINC000045960950 213769208 /nfs/dbraw/zinc/76/92/08/213769208.db2.gz JVHRHAIVWBZVNS-UHFFFAOYSA-N 0 0 325.368 4.128 50 0 EIAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(Cl)c1 ZINC000045967289 213769241 /nfs/dbraw/zinc/76/92/41/213769241.db2.gz VFDPVIXSJIOXLO-UHFFFAOYSA-N 0 0 341.798 4.161 50 0 EIAARN O=C1CS[C@@H](c2ccccc2)N1CC12CC3CC(CC(C3)C1)C2 ZINC000004015953 210099828 /nfs/dbraw/zinc/09/98/28/210099828.db2.gz YSCLQAMGKQCFAQ-BTCBHJBXSA-N 0 0 327.493 4.477 50 0 EIAARN CCc1ccc(C2=Nc3nnnn3[C@@H](c3ccc(SC)cc3)C2)cc1 ZINC000101971586 219176825 /nfs/dbraw/zinc/17/68/25/219176825.db2.gz HRUNDZNHLPHCES-GOSISDBHSA-N 0 0 349.463 4.013 50 0 EIAARN COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cccnc3)c(C)c2c1 ZINC000004000499 210098462 /nfs/dbraw/zinc/09/84/62/210098462.db2.gz KLTQAXGPJYPQGP-IBGZPJMESA-N 0 0 349.434 4.247 50 0 biogenic EIAARN COC(=O)c1sccc1-c1ccc(C(=O)Nc2ccccc2)o1 ZINC000004001879 210098491 /nfs/dbraw/zinc/09/84/91/210098491.db2.gz RLESMLWWGMYSAV-UHFFFAOYSA-N 0 0 327.361 4.047 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1ccc(F)cc1F ZINC000003911960 210093053 /nfs/dbraw/zinc/09/30/53/210093053.db2.gz YTHSEUVHDGJBBM-UHFFFAOYSA-N 0 0 345.374 4.086 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc(O)c2)on1 ZINC000003908317 210091431 /nfs/dbraw/zinc/09/14/31/210091431.db2.gz XDKVJIZLGVXFRD-UHFFFAOYSA-N 0 0 348.280 4.318 50 0 aggregator EIAARN COc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1OC(C)=O ZINC000003905827 210090195 /nfs/dbraw/zinc/09/01/95/210090195.db2.gz VFMLZHPLLSDXKM-RMKNXTFCSA-N 0 0 335.359 4.045 50 0 EIAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(F)cc1 ZINC000003896060 210085941 /nfs/dbraw/zinc/08/59/41/210085941.db2.gz FBTZPPXRQYQKPC-UHFFFAOYSA-N 0 0 328.412 4.138 50 0 EIAARN CCCNC(=O)NCC[C@@H]1[C@@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000003764150 210073595 /nfs/dbraw/zinc/07/35/95/210073595.db2.gz IGCHEKBYQJDGIF-QAPCUYQASA-N 0 0 327.472 4.315 50 0 EIAARN COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3C)nc1-2 ZINC000003651703 210072129 /nfs/dbraw/zinc/07/21/29/210072129.db2.gz AXCFTELURDHJHU-UHFFFAOYSA-N 0 0 336.416 4.284 50 0 EIAARN Cc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 ZINC000102373618 219198112 /nfs/dbraw/zinc/19/81/12/219198112.db2.gz GWLLZGNRXPCJLR-INIZCTEOSA-N 0 0 342.826 4.009 50 0 EIAARN CSc1ccccc1C(=O)NCCOc1ccccc1C(C)C ZINC000003616113 210067533 /nfs/dbraw/zinc/06/75/33/210067533.db2.gz FVMCQHHYGJMXMX-UHFFFAOYSA-N 0 0 329.465 4.341 50 0 EIAARN COc1cccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c1 ZINC000003607629 210064516 /nfs/dbraw/zinc/06/45/16/210064516.db2.gz UJDYRAZVFHKUMW-UHFFFAOYSA-N 0 0 333.815 4.455 50 0 EIAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 ZINC000003597926 210061575 /nfs/dbraw/zinc/06/15/75/210061575.db2.gz SITCTBSLWOKSGF-QPJJXVBHSA-N 0 0 349.308 4.129 50 0 EIAARN O=C(CSc1ncnc2sccc21)c1c[nH]c2ccccc21 ZINC000003571478 210057981 /nfs/dbraw/zinc/05/79/81/210057981.db2.gz WVNUEDGAXOWSAI-UHFFFAOYSA-N 0 0 325.418 4.148 50 0 EIAARN Cc1cc(OCC(=O)NCc2ccccc2)c(C(C)C)cc1Cl ZINC000003579064 210057134 /nfs/dbraw/zinc/05/71/34/210057134.db2.gz AEWOZYJGYJIIOQ-UHFFFAOYSA-N 0 0 331.843 4.467 50 0 EIAARN CSc1cccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)c1 ZINC000003561860 210056466 /nfs/dbraw/zinc/05/64/66/210056466.db2.gz XJYYLFDUJFLNBE-UHFFFAOYSA-N 0 0 343.448 4.409 50 0 EIAARN CC(=O)c1cccc(NC(=O)CCCc2nc3ccccc3s2)c1 ZINC000003561855 210056282 /nfs/dbraw/zinc/05/62/82/210056282.db2.gz RTZOKRKGGIMWCT-UHFFFAOYSA-N 0 0 338.432 4.460 50 0 EIAARN Cc1ncsc1CN(C)C(=O)Nc1ccccc1C(F)(F)F ZINC000066594697 215057556 /nfs/dbraw/zinc/05/75/56/215057556.db2.gz NQTIZZVAZMKPBN-UHFFFAOYSA-N 0 0 329.347 4.134 50 0 EIAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003583087 210059223 /nfs/dbraw/zinc/05/92/23/210059223.db2.gz IWOHOJAIFYQYQD-NXEZZACHSA-N 0 0 331.721 4.038 50 0 EIAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 ZINC000003549243 210052415 /nfs/dbraw/zinc/05/24/15/210052415.db2.gz HZPCVIORPPJIRI-KRWDZBQOSA-N 0 0 344.842 4.042 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000003555986 210054382 /nfs/dbraw/zinc/05/43/82/210054382.db2.gz KXGLLZGPKLRUPM-UHFFFAOYSA-N 0 0 325.408 4.331 50 0 EIAARN CCc1ccccc1NC(=O)c1cc(OC)ccc1Br ZINC000003557621 210054436 /nfs/dbraw/zinc/05/44/36/210054436.db2.gz MCQUSPHIEAKKGC-UHFFFAOYSA-N 0 0 334.213 4.272 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1Cl ZINC000003472390 210047603 /nfs/dbraw/zinc/04/76/03/210047603.db2.gz KWWSCGVBXZGXEU-SNVBAGLBSA-N 0 0 340.206 4.408 50 0 EIAARN CSc1cccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c1 ZINC000003430081 210037677 /nfs/dbraw/zinc/03/76/77/210037677.db2.gz UPDYQNVBUIXWCI-UHFFFAOYSA-N 0 0 343.448 4.140 50 0 EIAARN O=C(NCc1ccccc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000003438629 210038889 /nfs/dbraw/zinc/03/88/89/210038889.db2.gz MUJMFONRDVFPHG-UHFFFAOYSA-N 0 0 334.400 4.486 50 0 EIAARN Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000003424733 210035743 /nfs/dbraw/zinc/03/57/43/210035743.db2.gz CGVDQZOJIBKUOY-QFIPXVFZSA-N 0 0 344.414 4.115 50 0 EIAARN CSc1nc2n(n1)[C@H](c1ccccc1Cl)C1C(=O)CCCC1=N2 ZINC000102665621 219220470 /nfs/dbraw/zinc/22/04/70/219220470.db2.gz ZJEKYKPJCRBHNZ-CQSZACIVSA-N 0 0 346.843 4.325 50 0 EIAARN CCSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)CCCC1=N2 ZINC000102668859 219220532 /nfs/dbraw/zinc/22/05/32/219220532.db2.gz CJCXYXGASKZOPZ-OAHLLOKOSA-N 0 0 326.425 4.062 50 0 EIAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000102664528 219220638 /nfs/dbraw/zinc/22/06/38/219220638.db2.gz XUZDIBCIARCKOC-OXJNMPFZSA-N 0 0 342.402 4.343 50 0 EIAARN CCSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1C(=O)CCCC1=N2 ZINC000102659578 219219304 /nfs/dbraw/zinc/21/93/04/219219304.db2.gz UTQBSTIGRMVZTA-INIZCTEOSA-N 0 0 340.452 4.370 50 0 EIAARN O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1cccc(Cl)c1 ZINC000044636965 213638312 /nfs/dbraw/zinc/63/83/12/213638312.db2.gz YDBJNCZXGSICBF-UHFFFAOYSA-N 0 0 347.823 4.110 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000003417308 210032234 /nfs/dbraw/zinc/03/22/34/210032234.db2.gz VHMYIAKACMDGPH-GQCTYLIASA-N 0 0 332.331 4.333 50 0 EIAARN O=C(/C=C\c1ccc(Cl)s1)Nc1ccc(-c2nnco2)cc1 ZINC000044575732 213635287 /nfs/dbraw/zinc/63/52/87/213635287.db2.gz SNLYSTMZBYNRKY-VURMDHGXSA-N 0 0 331.784 4.103 50 0 EIAARN COc1ccc(C)cc1NCC(=O)Nc1cccc(Cl)c1Cl ZINC000003398479 210028602 /nfs/dbraw/zinc/02/86/02/210028602.db2.gz CDTQFAGKNBZDIL-UHFFFAOYSA-N 0 0 339.222 4.361 50 0 EIAARN COc1ccc(OC)c(NC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000003396332 210026324 /nfs/dbraw/zinc/02/63/24/210026324.db2.gz VMTFQULQJPSLRT-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN COc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1Cl ZINC000102725680 219225089 /nfs/dbraw/zinc/22/50/89/219225089.db2.gz UAEYVFFSTLGGNZ-UHFFFAOYSA-N 0 0 349.843 4.189 50 0 EIAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccccc1 ZINC000003380338 210022859 /nfs/dbraw/zinc/02/28/59/210022859.db2.gz NUTDUIJESKMQHK-UHFFFAOYSA-N 0 0 347.370 4.274 50 0 EIAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccccc4C)no3)CC2=O)cc1C ZINC000044435088 213623366 /nfs/dbraw/zinc/62/33/66/213623366.db2.gz BIQDEQOJCMIWJT-INIZCTEOSA-N 0 0 347.418 4.182 50 0 EIAARN Cc1ccc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1F ZINC000003378209 210022192 /nfs/dbraw/zinc/02/21/92/210022192.db2.gz SQDBVZCBICZGET-UHFFFAOYSA-N 0 0 326.293 4.204 50 0 EIAARN O=C(NCc1ccncc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000003373813 210021006 /nfs/dbraw/zinc/02/10/06/210021006.db2.gz DZDBXSFARPQZNW-UHFFFAOYSA-N 0 0 345.427 4.288 50 0 EIAARN COc1cccc2c1O[C@@H](C)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000102767954 219229448 /nfs/dbraw/zinc/22/94/48/219229448.db2.gz OVYZWXVFOUTKAI-MEDUHNTESA-N 0 0 328.799 4.238 50 0 EIAARN COc1ccc(Br)cc1CN(C)C(=O)c1cccc(C)c1 ZINC000003357195 210016161 /nfs/dbraw/zinc/01/61/61/210016161.db2.gz FXDNMUCJSSMHIT-UHFFFAOYSA-N 0 0 348.240 4.038 50 0 EIAARN OCc1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000003346098 210014442 /nfs/dbraw/zinc/01/44/42/210014442.db2.gz RVFSUYWMFCBYMP-UHFFFAOYSA-N 0 0 327.236 4.295 50 0 EIAARN CCN(CC)c1ccc(-c2n[nH]c(=S)n2Cc2ccco2)cc1 ZINC000003346437 210014135 /nfs/dbraw/zinc/01/41/35/210014135.db2.gz VXGNLDAECPQSFO-UHFFFAOYSA-N 0 0 328.441 4.095 50 0 EIAARN C[C@@H]1CCc2c(sc3[nH]c(CSc4ccccc4)nc(=O)c23)C1 ZINC000003342321 210013479 /nfs/dbraw/zinc/01/34/79/210013479.db2.gz DZRMIYJWSGLPDE-LLVKDONJSA-N 0 0 342.489 4.402 50 0 EIAARN O=C(COC(=O)c1ccco1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003320861 210007423 /nfs/dbraw/zinc/00/74/23/210007423.db2.gz SSOKBSDYTKZTSO-UHFFFAOYSA-N 0 0 348.569 4.035 50 0 EIAARN CSc1ncccc1C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000003333501 210010903 /nfs/dbraw/zinc/01/09/03/210010903.db2.gz YQLWZIIVZLZOEO-AWEZNQCLSA-N 0 0 328.481 4.493 50 0 EIAARN CC(=O)CCc1ccc(OC(=O)COc2cccc3ccccc32)cc1 ZINC000003331889 210008725 /nfs/dbraw/zinc/00/87/25/210008725.db2.gz ROCRDPULJDZDNW-UHFFFAOYSA-N 0 0 348.398 4.346 50 0 EIAARN Cc1ccc(NC(=O)CSc2ncnc3ccccc32)cc1Cl ZINC000003323367 210006425 /nfs/dbraw/zinc/00/64/25/210006425.db2.gz LAXZDKZRHJNQSX-UHFFFAOYSA-N 0 0 343.839 4.322 50 0 EIAARN Fc1ccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)cc1 ZINC000067261375 215128799 /nfs/dbraw/zinc/12/87/99/215128799.db2.gz LBQNNZHYFSSIMU-UHFFFAOYSA-N 0 0 347.397 4.438 50 0 EIAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1nnc(C2CC2)s1 ZINC000003297673 210000712 /nfs/dbraw/zinc/00/07/12/210000712.db2.gz MYXMVJKYDMDMRX-UHFFFAOYSA-N 0 0 349.415 4.496 50 0 EIAARN c1ccc(OCCSc2nnc(NC3CCCCC3)s2)cc1 ZINC000003292647 209999211 /nfs/dbraw/zinc/99/92/11/209999211.db2.gz NHNKBDLETITBPY-UHFFFAOYSA-N 0 0 335.498 4.454 50 0 EIAARN c1ccc2c(c1)nc(-c1ccncc1)cc2-c1nnc2n1CCCCC2 ZINC000003265023 209992245 /nfs/dbraw/zinc/99/22/45/209992245.db2.gz HKYTYVZSHVQYPG-UHFFFAOYSA-N 0 0 341.418 4.282 50 0 EIAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(C)=O)CCC3 ZINC000003219993 209981205 /nfs/dbraw/zinc/98/12/05/209981205.db2.gz KVXYIOFQFBJKHU-UHFFFAOYSA-N 0 0 342.435 4.372 50 0 EIAARN C[C@H](c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000067459770 215149789 /nfs/dbraw/zinc/14/97/89/215149789.db2.gz MFZDZXIPVMOZGR-CYBMUJFWSA-N 0 0 345.826 4.098 50 0 EIAARN O=C(COc1ccccc1F)Nc1ccc(SC(F)F)cc1 ZINC000003203268 209976828 /nfs/dbraw/zinc/97/68/28/209976828.db2.gz DTFAJZDQWQHKPN-UHFFFAOYSA-N 0 0 327.327 4.158 50 0 EIAARN CCOc1ccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003188931 209975020 /nfs/dbraw/zinc/97/50/20/209975020.db2.gz JWMVJOQNVMCOCE-UHFFFAOYSA-N 0 0 344.255 4.090 50 0 EIAARN CC(C)n1ccnc1CN1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067755641 215202801 /nfs/dbraw/zinc/20/28/01/215202801.db2.gz VWYYQIPCKJWKGT-UHFFFAOYSA-N 0 0 349.482 4.234 50 0 EIAARN Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2ccoc2)CCO3)s1 ZINC000067739410 215199689 /nfs/dbraw/zinc/19/96/89/215199689.db2.gz RDAQZHRSTUHWCN-UHFFFAOYSA-N 0 0 341.432 4.417 50 0 EIAARN COc1ccc(C2(C(=O)N(C)[C@H](C)c3ccccn3)CCCC2)cc1 ZINC000067757625 215204177 /nfs/dbraw/zinc/20/41/77/215204177.db2.gz FFWWGLPFQAKBPK-MRXNPFEDSA-N 0 0 338.451 4.122 50 0 EIAARN COc1ccc(OC)c(-c2nc(Cn3cnc4ccccc43)c(C)o2)c1 ZINC000067784339 215210407 /nfs/dbraw/zinc/21/04/07/215210407.db2.gz CXSFCRMZEYUGMB-UHFFFAOYSA-N 0 0 349.390 4.065 50 0 EIAARN Nc1nc(SCCc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002937017 209943401 /nfs/dbraw/zinc/94/34/01/209943401.db2.gz SGJOGZCAZRQAMZ-UHFFFAOYSA-N 0 0 341.505 4.487 50 0 in-vitro EIAARN COc1ccc(-c2nc(COc3cccnc3C)c(C)o2)c(F)c1 ZINC000067868119 215234719 /nfs/dbraw/zinc/23/47/19/215234719.db2.gz OKBNVRUGHYNOHI-UHFFFAOYSA-N 0 0 328.343 4.080 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(Br)cn1 ZINC000002858850 209929306 /nfs/dbraw/zinc/92/93/06/209929306.db2.gz SEKHGUZPXRMYPT-UHFFFAOYSA-N 0 0 340.608 4.450 50 0 EIAARN CC[C@@H](C)c1ccccc1OCCOc1ccc(C=O)cc1OC ZINC000002866710 209930240 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COc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1OC ZINC000036620551 213104744 /nfs/dbraw/zinc/10/47/44/213104744.db2.gz XGQNSTGSAHRMND-KRWDZBQOSA-N 0 0 340.423 4.381 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1OC ZINC000036620903 213104529 /nfs/dbraw/zinc/10/45/29/213104529.db2.gz ZJFDWCPWYCDQMN-QGZVFWFLSA-N 0 0 340.423 4.381 50 0 EIAARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)noc3n2)c1 ZINC000036617388 213104199 /nfs/dbraw/zinc/10/41/99/213104199.db2.gz CLWXWJNKUWLDDC-UHFFFAOYSA-N 0 0 338.285 4.234 50 0 EIAARN O=C(c1cnc2ccccc2n1)N(CCc1ccccc1)C1CCCC1 ZINC000070036522 215667375 /nfs/dbraw/zinc/66/73/75/215667375.db2.gz SZHVDTFLDUNESR-UHFFFAOYSA-N 0 0 345.446 4.257 50 0 EIAARN C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1cccc(OC(F)F)c1 ZINC000036395031 213096482 /nfs/dbraw/zinc/09/64/82/213096482.db2.gz RDZAQCUTEDPDDS-SECBINFHSA-N 0 0 327.277 4.057 50 0 EIAARN COc1cccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccsc2)c1 ZINC000036366287 213091069 /nfs/dbraw/zinc/09/10/69/213091069.db2.gz PJWQOOLLCHQNOB-CQSZACIVSA-N 0 0 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213042152 /nfs/dbraw/zinc/04/21/52/213042152.db2.gz LGZPWYVVVFLWBE-GOSISDBHSA-N 0 0 341.846 4.361 50 0 EIAARN CC(C)n1c(=O)[nH]c2cc(-c3noc(/C=C/c4ccccc4)n3)ccc21 ZINC000035482012 213032049 /nfs/dbraw/zinc/03/20/49/213032049.db2.gz MFDYVYPYQYITMG-DHZHZOJOSA-N 0 0 346.390 4.131 50 0 EIAARN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000035476409 213031398 /nfs/dbraw/zinc/03/13/98/213031398.db2.gz YGKFSBPNQBUPCI-IBGZPJMESA-N 0 0 343.492 4.446 50 0 EIAARN CCn1cnc2cc(-c3noc([C@H](C)Oc4ccccc4)n3)ccc21 ZINC000035453471 213029525 /nfs/dbraw/zinc/02/95/25/213029525.db2.gz PHDOAKPHFRXUKU-ZDUSSCGKSA-N 0 0 334.379 4.246 50 0 EIAARN CCCNC(=O)c1nc2ccccc2c(Nc2ccc(CC)cc2)n1 ZINC000035430038 213026733 /nfs/dbraw/zinc/02/67/33/213026733.db2.gz ITNNRKIGVPVQIW-UHFFFAOYSA-N 0 0 334.423 4.076 50 0 EIAARN CC[C@@H](C)NC(=O)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430103 213026814 /nfs/dbraw/zinc/02/68/14/213026814.db2.gz GDOBORXAUXUZSF-GFCCVEGCSA-N 0 0 338.386 4.041 50 0 EIAARN CCCCCC(=O)Nc1ccc2sc(N(CC)CC)nc(=O)c2c1 ZINC000034928350 213001262 /nfs/dbraw/zinc/00/12/62/213001262.db2.gz OUAPKYPYDFRLAT-UHFFFAOYSA-N 0 0 347.484 4.022 50 0 EIAARN CCc1ccccc1NC(=O)N1CCc2c(c3ccccc3n2C)C1 ZINC000034928390 213001150 /nfs/dbraw/zinc/00/11/50/213001150.db2.gz NZYRILUXGNUSBK-UHFFFAOYSA-N 0 0 333.435 4.331 50 0 EIAARN CCCCCC(=O)N(Cc1cc(-c2ccccc2OC)on1)C1CC1 ZINC000034922250 212999576 /nfs/dbraw/zinc/99/95/76/212999576.db2.gz UJWSMRBAVXPFCJ-UHFFFAOYSA-N 0 0 342.439 4.422 50 0 EIAARN COc1ccc(CC(=O)Nc2ccn(-c3ccc(C(C)C)cc3)n2)cc1 ZINC000034909295 212997772 /nfs/dbraw/zinc/99/77/72/212997772.db2.gz AJIYAWGMSRINAA-UHFFFAOYSA-N 0 0 349.434 4.186 50 0 EIAARN CC[C@@H](c1ccc(OC)cc1)[C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000071770752 215823476 /nfs/dbraw/zinc/82/34/76/215823476.db2.gz PQRSCXOSMRYVDS-RBUKOAKNSA-N 0 0 328.408 4.154 50 0 EIAARN C[C@@H](Cc1cccnc1)n1ccnc1-c1cnc(-c2cccs2)nc1 ZINC000071775490 215824952 /nfs/dbraw/zinc/82/49/52/215824952.db2.gz FGKJAJPYZXPMHY-AWEZNQCLSA-N 0 0 347.447 4.267 50 0 EIAARN Cn1c(SC/C=C\c2ccccc2)nnc1-c1ccccc1F ZINC000033530607 212953317 /nfs/dbraw/zinc/95/33/17/212953317.db2.gz BGMDZFYZZWYDBL-YFHOEESVSA-N 0 0 325.412 4.427 50 0 EIAARN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1Cl ZINC000033294127 212918351 /nfs/dbraw/zinc/91/83/51/212918351.db2.gz CWEMXVIAVUNPHN-PGEKAQRJSA-N 0 0 325.817 4.183 50 0 EIAARN COc1ccc(C2CC(=O)N(c3ccc(C)c(Cl)c3)C(=O)C2)cc1 ZINC000033256436 212910835 /nfs/dbraw/zinc/91/08/35/212910835.db2.gz VSAWLPGRMQYSFW-UHFFFAOYSA-N 0 0 343.810 4.094 50 0 EIAARN CCCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000033278982 212915018 /nfs/dbraw/zinc/91/50/18/212915018.db2.gz RQGOMNFJELBMKG-UHFFFAOYSA-N 0 0 341.798 4.197 50 0 EIAARN CC(C)CSCCC(=O)NCCCSc1ccc(F)cc1 ZINC000071847875 215878514 /nfs/dbraw/zinc/87/85/14/215878514.db2.gz FIBOHDRWTPIOFH-UHFFFAOYSA-N 0 0 329.506 4.203 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(Oc3cnccn3)c2)sc1C ZINC000033137763 212901814 /nfs/dbraw/zinc/90/18/14/212901814.db2.gz OSIQALFXKICNRC-UHFFFAOYSA-N 0 0 325.393 4.200 50 0 EIAARN Cc1ccc(C)c(NC(=O)CN2C[C@@H](C)Sc3ccccc32)c1 ZINC000033059211 212893750 /nfs/dbraw/zinc/89/37/50/212893750.db2.gz QUPDAJWBJVZYMQ-OAHLLOKOSA-N 0 0 326.465 4.243 50 0 EIAARN CCOc1cccc2cc3c(=O)n(-c4ccc(C)cc4C)nc-3oc21 ZINC000033020925 212889059 /nfs/dbraw/zinc/88/90/59/212889059.db2.gz BIWFQIJBRINEDB-UHFFFAOYSA-N 0 0 334.375 4.099 50 0 EIAARN CCc1noc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1 ZINC000033012699 212887795 /nfs/dbraw/zinc/88/77/95/212887795.db2.gz YZNHIEVJBUQDJR-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN Cc1ccc(N2C(=O)CC(c3ccc(Cl)cc3)CC2=O)cc1C ZINC000032985315 212883788 /nfs/dbraw/zinc/88/37/88/212883788.db2.gz OYNSMSPRSUTVDM-UHFFFAOYSA-N 0 0 327.811 4.394 50 0 EIAARN O=S(=O)(c1c(Cl)cccc1Cl)N(C1CC1)C1CCCCC1 ZINC000032916568 212872123 /nfs/dbraw/zinc/87/21/23/212872123.db2.gz DEKKSWVHBYHAMN-UHFFFAOYSA-N 0 0 348.295 4.479 50 0 EIAARN C[C@@H](OCCCNC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000032907581 212867289 /nfs/dbraw/zinc/86/72/89/212867289.db2.gz PPAMAUYYDCCEBC-MRXNPFEDSA-N 0 0 334.419 4.133 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1C ZINC000032819153 212849943 /nfs/dbraw/zinc/84/99/43/212849943.db2.gz AHSBOROLZGFULR-HNNXBMFYSA-N 0 0 349.434 4.020 50 0 EIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccccc2Cl)c1 ZINC000032820681 212849757 /nfs/dbraw/zinc/84/97/57/212849757.db2.gz GZIHNYKMMCFDAL-KRWDZBQOSA-N 0 0 345.826 4.335 50 0 EIAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cn2ccccc2n1 ZINC000032843955 212855549 /nfs/dbraw/zinc/85/55/49/212855549.db2.gz SFIQBVFWTKPMCD-UHFFFAOYSA-N 0 0 328.375 4.330 50 0 EIAARN CN(C)c1ccc(NC(=O)CCc2cccs2)c(C(F)(F)F)c1 ZINC000032832475 212854266 /nfs/dbraw/zinc/85/42/66/212854266.db2.gz BYVNVRXHZKYGDX-UHFFFAOYSA-N 0 0 342.386 4.404 50 0 EIAARN CC(=O)Nc1ccc(SCc2noc(-c3cccs3)n2)cc1 ZINC000032837605 212853937 /nfs/dbraw/zinc/85/39/37/212853937.db2.gz JCMILMRPZIRWPS-UHFFFAOYSA-N 0 0 331.422 4.049 50 0 EIAARN Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000032754136 212836010 /nfs/dbraw/zinc/83/60/10/212836010.db2.gz DHYDKFSOLCNUPD-SFHVURJKSA-N 0 0 337.419 4.020 50 0 EIAARN Cc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2o1 ZINC000032752868 212834638 /nfs/dbraw/zinc/83/46/38/212834638.db2.gz IKAMFFSHZNERBZ-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)c1csc(-c2ccccc2)n1 ZINC000032740652 212831901 /nfs/dbraw/zinc/83/19/01/212831901.db2.gz UWZSDXWYVBWXMN-UHFFFAOYSA-N 0 0 341.461 4.398 50 0 EIAARN Cc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1Cl ZINC000032644439 212822037 /nfs/dbraw/zinc/82/20/37/212822037.db2.gz HIWLABLRCKMXAX-UHFFFAOYSA-N 0 0 335.835 4.290 50 0 EIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccnc(Cl)c1 ZINC000032342033 212798532 /nfs/dbraw/zinc/79/85/32/212798532.db2.gz KGZBMCFMLBZNPV-SNVBAGLBSA-N 0 0 331.828 4.178 50 0 EIAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1cc(C2CC2)on1 ZINC000072065316 216001446 /nfs/dbraw/zinc/00/14/46/216001446.db2.gz BJJSEBDQXKMFKY-UHFFFAOYSA-N 0 0 332.359 4.035 50 0 EIAARN Cc1ccccc1OCCCOc1cccc(Oc2ncccn2)c1 ZINC000072073307 216003388 /nfs/dbraw/zinc/00/33/88/216003388.db2.gz SBCALVFRLLHBBR-UHFFFAOYSA-N 0 0 336.391 4.425 50 0 EIAARN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032416176 212800796 /nfs/dbraw/zinc/80/07/96/212800796.db2.gz OTBWSBUAAPVIJB-MSOLQXFVSA-N 0 0 342.483 4.148 50 0 EIAARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3F)o2)c1 ZINC000000415407 209579479 /nfs/dbraw/zinc/57/94/79/209579479.db2.gz WXAURZKEJLHCEX-UHFFFAOYSA-N 0 0 346.383 4.185 50 0 EIAARN COc1ccc(-c2ccc(-c3nc(C4CC4)no3)cn2)cc1Cl ZINC000072119568 216013920 /nfs/dbraw/zinc/01/39/20/216013920.db2.gz MNWXDLVOZWZTAF-UHFFFAOYSA-N 0 0 327.771 4.338 50 0 EIAARN Oc1cccc(-c2ccc(-c3nc(-c4ccccc4F)no3)cn2)c1 ZINC000072146902 216034213 /nfs/dbraw/zinc/03/42/13/216034213.db2.gz QDJLZZIPJLZHTM-UHFFFAOYSA-N 0 0 333.322 4.310 50 0 EIAARN Fc1cccc([C@H]2CCCCN2Cc2nnc(-c3ccco3)o2)c1 ZINC000072147923 216035749 /nfs/dbraw/zinc/03/57/49/216035749.db2.gz RIZGYZOVGFZZOD-OAHLLOKOSA-N 0 0 327.359 4.196 50 0 EIAARN CC(C)NC(=O)c1cc(N[C@H](CC(C)(C)C)c2cccnc2)ccn1 ZINC000072156396 216045909 /nfs/dbraw/zinc/04/59/09/216045909.db2.gz NTXHRUBECQZWLM-GOSISDBHSA-N 0 0 340.471 4.204 50 0 EIAARN COc1ccc(C)cc1NC(=O)N(C)[C@H](C)c1nc(C)sc1C ZINC000072173985 216065178 /nfs/dbraw/zinc/06/51/78/216065178.db2.gz MAPRLSDNTHRATN-LLVKDONJSA-N 0 0 333.457 4.302 50 0 EIAARN COc1cccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c1 ZINC000072238569 216077504 /nfs/dbraw/zinc/07/75/04/216077504.db2.gz YWLGOXJNRUBFNF-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN COc1ccccc1Oc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000072265314 216087200 /nfs/dbraw/zinc/08/72/00/216087200.db2.gz JXBGUDVAIUJGHU-OKILXGFUSA-N 0 0 329.396 4.199 50 0 EIAARN COc1ccc(-c2csc(CNC(=O)CCC3CCCC3)n2)cc1 ZINC000072264911 216086057 /nfs/dbraw/zinc/08/60/57/216086057.db2.gz DXWTVTFDGIRLDZ-UHFFFAOYSA-N 0 0 344.480 4.405 50 0 EIAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1c(F)cccc1F ZINC000072280487 216109063 /nfs/dbraw/zinc/10/90/63/216109063.db2.gz FCXPDXCKLZOCQL-UHFFFAOYSA-N 0 0 337.325 4.448 50 0 EIAARN Cc1ccc(C(C)C)c(OC(=O)Cn2c3ccccc3sc2=O)c1 ZINC000000405471 209570764 /nfs/dbraw/zinc/57/07/64/209570764.db2.gz LQJZZLHKRZVYFX-UHFFFAOYSA-N 0 0 341.432 4.100 50 0 EIAARN O=C(Cc1ccccc1)c1ccccc1C(=O)NCc1ccccc1 ZINC000000398460 209568660 /nfs/dbraw/zinc/56/86/60/209568660.db2.gz NBEFIPKXUBVTBU-UHFFFAOYSA-N 0 0 329.399 4.042 50 0 EIAARN FC(F)(F)c1ccc(-c2nnc3sc(-c4ccco4)nn32)cc1 ZINC000000385268 209563295 /nfs/dbraw/zinc/56/32/95/209563295.db2.gz LVKYUSFWKVHKHJ-UHFFFAOYSA-N 0 0 336.298 4.132 50 0 EIAARN Nc1c(Br)cc2c(c1Br)Cc1ccccc1-2 ZINC000000394862 209566918 /nfs/dbraw/zinc/56/69/18/209566918.db2.gz LHRWVIZWZMXYPI-UHFFFAOYSA-N 0 0 339.030 4.365 50 0 EIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000000373839 209557644 /nfs/dbraw/zinc/55/76/44/209557644.db2.gz YTIHMGQKGANCNO-UHFFFAOYSA-N 0 0 333.343 4.460 50 0 EIAARN COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000359166 209549900 /nfs/dbraw/zinc/54/99/00/209549900.db2.gz XGFFXBAJUGHUPW-UHFFFAOYSA-N 0 0 346.386 4.200 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000000365116 209553829 /nfs/dbraw/zinc/55/38/29/209553829.db2.gz LFDKICHIOKEEFW-CYBMUJFWSA-N 0 0 326.421 4.319 50 0 EIAARN Cc1ccc(C)c(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c1 ZINC000000364568 209553662 /nfs/dbraw/zinc/55/36/62/209553662.db2.gz OJWGBTKLNVXLPM-ZDUSSCGKSA-N 0 0 337.678 4.184 50 0 EIAARN O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000000365161 209553118 /nfs/dbraw/zinc/55/31/18/209553118.db2.gz YGBJUKXYMDSBKM-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN COc1cccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)c1OC ZINC000000363645 209552728 /nfs/dbraw/zinc/55/27/28/209552728.db2.gz LLJKBFDKGXTKRO-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN CC[C@H](OC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1 ZINC000000316214 209533603 /nfs/dbraw/zinc/53/36/03/209533603.db2.gz QZWJOUIFGGVWEF-HNNXBMFYSA-N 0 0 347.208 4.267 50 0 EIAARN Cc1c2c(c(C)n1-c1cc(Br)ccc1O)c(C)nnc2C ZINC000000313715 209531983 /nfs/dbraw/zinc/53/19/83/209531983.db2.gz RSZAMZFGILJBHJ-UHFFFAOYSA-N 0 0 346.228 4.122 50 0 EIAARN C[S@@](=O)Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl ZINC000072285688 216116997 /nfs/dbraw/zinc/11/69/97/216116997.db2.gz BAYPVKSPFBZDKZ-NRFANRHFSA-N 0 0 342.247 4.124 50 0 EIAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCC1 ZINC000000304233 209526223 /nfs/dbraw/zinc/52/62/23/209526223.db2.gz PGIZRHRSXGNCDA-UHFFFAOYSA-N 0 0 325.195 4.193 50 0 EIAARN Clc1ccc(-c2nc(COc3ccc4c(c3)OCO4)co2)cc1 ZINC000030496939 212698275 /nfs/dbraw/zinc/69/82/75/212698275.db2.gz BVOMWMPZJSVVGD-UHFFFAOYSA-N 0 0 329.739 4.303 50 0 EIAARN Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)CCc3ccco3)n2)c1 ZINC000072288557 216121341 /nfs/dbraw/zinc/12/13/41/216121341.db2.gz LWUIFYITKSUZIP-LJQANCHMSA-N 0 0 349.434 4.274 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)o1 ZINC000000278993 209516068 /nfs/dbraw/zinc/51/60/68/209516068.db2.gz ORUZDJNOPJYODM-UHFFFAOYSA-N 0 0 349.209 4.418 50 0 aggregator EIAARN COc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2)cc1 ZINC000000262067 209508222 /nfs/dbraw/zinc/50/82/22/209508222.db2.gz XKODNPXLQQBINQ-NYYWCZLTSA-N 0 0 333.181 4.077 50 0 biogenic EIAARN Cc1c(C(=O)N[C@@H](c2ccccc2)C2CC2)cnn1-c1cccc(C)c1 ZINC000029646482 212676737 /nfs/dbraw/zinc/67/67/37/212676737.db2.gz LTJOYMVHUXXDQX-NRFANRHFSA-N 0 0 345.446 4.370 50 0 EIAARN O=C(Nc1nc(Cl)ccc1Cl)c1nc(Cl)ccc1Cl ZINC000000254495 209506181 /nfs/dbraw/zinc/50/61/81/209506181.db2.gz FNJVCLOYBWENCD-UHFFFAOYSA-N 0 0 336.993 4.343 50 0 EIAARN CC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000000266853 209511235 /nfs/dbraw/zinc/51/12/35/209511235.db2.gz FSPOYMAOQPVLAG-UHFFFAOYSA-N 0 0 325.408 4.339 50 0 EIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cc2c(cccc2F)[nH]1 ZINC000029573785 212674363 /nfs/dbraw/zinc/67/43/63/212674363.db2.gz GQOKFPCAJUJZIG-UHFFFAOYSA-N 0 0 338.367 4.078 50 0 EIAARN CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1F ZINC000000252967 209504806 /nfs/dbraw/zinc/50/48/06/209504806.db2.gz DZGBFWOPHRLHLU-UHFFFAOYSA-N 0 0 326.327 4.173 50 0 EIAARN Nc1c(-c2ccc(Cl)cc2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000000248588 209503928 /nfs/dbraw/zinc/50/39/28/209503928.db2.gz XPFYITDDFPVNAN-UHFFFAOYSA-N 0 0 338.720 4.189 50 0 EIAARN COc1cccc(-c2nc(C(=O)OC3CCCCC3)cs2)c1OC ZINC000029460854 212666640 /nfs/dbraw/zinc/66/66/40/212666640.db2.gz BDMGATHWJIKSBB-UHFFFAOYSA-N 0 0 347.436 4.317 50 0 EIAARN CCCc1cc(N2CCCC[C@@H]2c2cccc(C)c2C)n2ncnc2n1 ZINC000072307631 216144970 /nfs/dbraw/zinc/14/49/70/216144970.db2.gz CTDOQEUBTNEYJP-LJQANCHMSA-N 0 0 349.482 4.425 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2C)cc1 ZINC000000233416 209497500 /nfs/dbraw/zinc/49/75/00/209497500.db2.gz ZLJCMCLDLPNXDL-MRXNPFEDSA-N 0 0 336.435 4.262 50 0 EIAARN O=C(NCCCc1ccccc1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000072328876 216152523 /nfs/dbraw/zinc/15/25/23/216152523.db2.gz PLSJDUMLBHMMOF-UHFFFAOYSA-N 0 0 339.826 4.093 50 0 EIAARN COc1cccc(-c2n[nH]cc2C(=O)NCc2ccc(C(C)C)cc2)c1 ZINC000072329208 216153822 /nfs/dbraw/zinc/15/38/22/216153822.db2.gz CVJCRCOSPGPYIK-UHFFFAOYSA-N 0 0 349.434 4.139 50 0 EIAARN CCc1ccc(-c2n[nH]cc2C(=O)NCCCc2ccccc2)cc1 ZINC000072329189 216153890 /nfs/dbraw/zinc/15/38/90/216153890.db2.gz LHJGXQVYRSOAJR-UHFFFAOYSA-N 0 0 333.435 4.002 50 0 EIAARN Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)cc1C ZINC000072329816 216154203 /nfs/dbraw/zinc/15/42/03/216154203.db2.gz FQHILJJQHKECIY-UHFFFAOYSA-N 0 0 349.814 4.477 50 0 EIAARN Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(C)c1 ZINC000072331306 216155158 /nfs/dbraw/zinc/15/51/58/216155158.db2.gz PCTCPLPSHNSBTD-UHFFFAOYSA-N 0 0 346.833 4.058 50 0 EIAARN Cc1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000072331202 216155494 /nfs/dbraw/zinc/15/54/94/216155494.db2.gz DPTGMTABVUSIKA-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN COc1cccc([C@H]2C[C@@H](c3ccc(C)c(C)c3)n3ncnc3N2)c1 ZINC000072332440 216156214 /nfs/dbraw/zinc/15/62/14/216156214.db2.gz NLKVUNQWEWGQCC-MOPGFXCFSA-N 0 0 334.423 4.050 50 0 EIAARN CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000000184316 209471388 /nfs/dbraw/zinc/47/13/88/209471388.db2.gz PDGANVYYXNXAIL-UHFFFAOYSA-N 0 0 342.489 4.107 50 0 EIAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1)CSC2 ZINC000000189424 209472619 /nfs/dbraw/zinc/47/26/19/209472619.db2.gz YBQVWZZIOMMGPE-UHFFFAOYSA-N 0 0 335.860 4.291 50 0 EIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C4CC4)cc3n2)cc1 ZINC000000171359 209463287 /nfs/dbraw/zinc/46/32/87/209463287.db2.gz MVXSNDYBJVEWKQ-UHFFFAOYSA-N 0 0 333.313 4.301 50 0 EIAARN COc1ccc2c(=O)/c(=C\c3ccc(Cl)cc3)oc3cccc1c32 ZINC000000178482 209467278 /nfs/dbraw/zinc/46/72/78/209467278.db2.gz WCMHSORMJOMLBX-WOJGMQOQSA-N 0 0 336.774 4.156 50 0 EIAARN O=C(Oc1ccc(C(=O)OCc2ccccc2)cc1)c1cccs1 ZINC000000149539 209453139 /nfs/dbraw/zinc/45/31/39/209453139.db2.gz HNBMGXIKOUSQJC-UHFFFAOYSA-N 0 0 338.384 4.324 50 0 EIAARN Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc(F)c(F)c3F)c2)n1 ZINC000072404199 216195942 /nfs/dbraw/zinc/19/59/42/216195942.db2.gz PBJBBPCXVCPFHM-UHFFFAOYSA-N 0 0 345.324 4.159 50 0 EIAARN CC(C)C(=O)Nc1ccc(Oc2ccc3c(c2)NC(=O)CC3)nc1 ZINC000072405911 216196671 /nfs/dbraw/zinc/19/66/71/216196671.db2.gz KNVVBEMBFTWEAT-UHFFFAOYSA-N 0 0 325.368 4.003 50 0 EIAARN Cc1ccc(C(=O)NCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000146817 209451000 /nfs/dbraw/zinc/45/10/00/209451000.db2.gz GXNYEJIOWIPMCP-UHFFFAOYSA-N 0 0 329.399 4.275 50 0 EIAARN CN(Cc1ccccc1)C(=O)CCn1ccc2ccc(Cl)cc21 ZINC000072405833 216197280 /nfs/dbraw/zinc/19/72/80/216197280.db2.gz GHLURRPZZLWJSU-UHFFFAOYSA-N 0 0 326.827 4.343 50 0 EIAARN O=C(CCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl ZINC000000142117 209446633 /nfs/dbraw/zinc/44/66/33/209446633.db2.gz HCCKVCSQGHSKQX-UHFFFAOYSA-N 0 0 337.206 4.351 50 0 EIAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3Cl)sc2n1 ZINC000000149929 209453885 /nfs/dbraw/zinc/45/38/85/209453885.db2.gz QPCXMDKFNQKVIC-UHFFFAOYSA-N 0 0 331.828 4.401 50 0 EIAARN O=C1C[C@@H](c2c(F)cccc2Cl)c2cnn(Cc3ccco3)c2N1 ZINC000072403743 216194657 /nfs/dbraw/zinc/19/46/57/216194657.db2.gz ODTIVPLIKNIOAQ-LLVKDONJSA-N 0 0 345.761 4.441 50 0 EIAARN CCOc1ccc(/C=C/C(=O)Oc2c(C)cccc2C)cc1OC ZINC000000120529 209434426 /nfs/dbraw/zinc/43/44/26/209434426.db2.gz XBEYVEXNHDLMSN-ZRDIBKRKSA-N 0 0 326.392 4.330 50 0 EIAARN CC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(c2ccc(Cl)cc2)C1 ZINC000000108440 209425432 /nfs/dbraw/zinc/42/54/32/209425432.db2.gz OVQMLSGVAKAALW-QGZVFWFLSA-N 0 0 349.217 4.061 50 0 EIAARN Cc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1C ZINC000000117375 209431246 /nfs/dbraw/zinc/43/12/46/209431246.db2.gz VRUSSLGLHIFNDF-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN COc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028292521 212614184 /nfs/dbraw/zinc/61/41/84/212614184.db2.gz RXGXFAICDHCYQA-UHFFFAOYSA-N 0 0 336.366 4.076 50 0 EIAARN CN(Cc1csc(-c2cccs2)n1)C(=O)Cc1cccs1 ZINC000072420175 216209012 /nfs/dbraw/zinc/20/90/12/216209012.db2.gz VMHBACYDTOTSTN-UHFFFAOYSA-N 0 0 334.491 4.134 50 0 EIAARN CCSc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000000096110 209417312 /nfs/dbraw/zinc/41/73/12/209417312.db2.gz KSXDENRXBDLLTA-UHFFFAOYSA-N 0 0 339.464 4.404 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000000095340 209417232 /nfs/dbraw/zinc/41/72/32/209417232.db2.gz ARJVURNESMZCAI-XBXARRHUSA-N 0 0 335.762 4.148 50 0 biogenic EIAARN CC(C)N(C(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 ZINC000000080860 209407191 /nfs/dbraw/zinc/40/71/91/209407191.db2.gz TZNFKMCZZGZZSM-UHFFFAOYSA-N 0 0 325.437 4.097 50 0 EIAARN COc1cccc(CC(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 ZINC000000066614 209397204 /nfs/dbraw/zinc/39/72/04/209397204.db2.gz RRUBGZVGYAYPBI-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN O=C1OC(c2ccco2)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000000063453 209396138 /nfs/dbraw/zinc/39/61/38/209396138.db2.gz UUGAGJZPABJMFP-QGOAFFKASA-N 0 0 345.354 4.203 50 0 EIAARN Cc1c2ccc([O-])cc2oc(=O)c1-c1ccc(Br)cc1 ZINC000000057979 209393166 /nfs/dbraw/zinc/39/31/66/209393166.db2.gz KPJSRHQRNCHUAP-UHFFFAOYSA-N 0 0 331.165 4.237 50 0 EIAARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1C(C)(C)C ZINC000000051838 209390947 /nfs/dbraw/zinc/39/09/47/209390947.db2.gz YOCUHIGZJJBCGD-KRWDZBQOSA-N 0 0 327.453 4.270 50 0 EIAARN CC(=O)C1(c2ccccc2)CCN(C(=O)c2coc3ccccc23)CC1 ZINC000072426028 216215649 /nfs/dbraw/zinc/21/56/49/216215649.db2.gz HCJMAOVHFWHTHL-UHFFFAOYSA-N 0 0 347.414 4.196 50 0 EIAARN Cc1csc([C@@H](C)N(C)C(=O)c2cc(C)nc3c(C)cccc23)n1 ZINC000072432826 216227293 /nfs/dbraw/zinc/22/72/93/216227293.db2.gz PUGYSCUAWTXHLD-CQSZACIVSA-N 0 0 339.464 4.450 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Sc2ccc(Cl)cc2)n1 ZINC000027994741 212593978 /nfs/dbraw/zinc/59/39/78/212593978.db2.gz DJJDBDFGYDTRSP-UHFFFAOYSA-N 0 0 331.249 4.438 50 0 EIAARN O=C(C1CCC(F)(F)CC1)N1CCC(COc2ccccc2)CC1 ZINC000130201625 223131932 /nfs/dbraw/zinc/13/19/32/223131932.db2.gz WPMFGTGGPPETBE-UHFFFAOYSA-N 0 0 337.410 4.130 50 0 EIAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1Cl ZINC000027749189 212576628 /nfs/dbraw/zinc/57/66/28/212576628.db2.gz IRVBFLMFFVSUNL-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN O=C(Nc1cccc(-c2nnco2)c1)c1cc2cc(Cl)ccc2o1 ZINC000027110811 212546692 /nfs/dbraw/zinc/54/66/92/212546692.db2.gz ONEHLQDHTAIUEC-UHFFFAOYSA-N 0 0 339.738 4.389 50 0 EIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cc2ccsc2)cs1 ZINC000026883159 212539495 /nfs/dbraw/zinc/53/94/95/212539495.db2.gz HFZMDKUJMNWHCG-UHFFFAOYSA-N 0 0 340.473 4.312 50 0 EIAARN Cc1ccc(CCCNC(=O)c2ccc(C(F)(F)F)nc2)c(C)c1 ZINC000026347584 212516165 /nfs/dbraw/zinc/51/61/65/212516165.db2.gz SLAWGFMZWASDPX-UHFFFAOYSA-N 0 0 336.357 4.080 50 0 EIAARN Cc1noc(C)c1[C@H](C)Nc1nccc(Oc2ccc(F)cc2)n1 ZINC000072946703 216330216 /nfs/dbraw/zinc/33/02/16/216330216.db2.gz YPIRQVVDDOFWHF-JTQLQIEISA-N 0 0 328.347 4.186 50 0 EIAARN CC(=O)Nc1cccc([C@@H](C)OC(=O)c2nccc3ccccc32)c1 ZINC000073091326 216347967 /nfs/dbraw/zinc/34/79/67/216347967.db2.gz RWKOUFJHGRDCPT-CYBMUJFWSA-N 0 0 334.375 4.111 50 0 EIAARN COCc1cccc(NC(=O)CCc2ccc(OC(F)F)cc2)c1 ZINC000025336036 212474944 /nfs/dbraw/zinc/47/49/44/212474944.db2.gz PPMRMDWCTOWUAT-UHFFFAOYSA-N 0 0 335.350 4.006 50 0 EIAARN CCCn1c2ccccc2n(Cc2nc(-c3ccccc3)oc2C)c1=O ZINC000025150691 212461580 /nfs/dbraw/zinc/46/15/80/212461580.db2.gz HHBLFRJIKAJQRE-UHFFFAOYSA-N 0 0 347.418 4.225 50 0 EIAARN O=C(c1cc(-c2cccs2)on1)N1CCc2[nH]c3ccccc3c2C1 ZINC000024960586 212449878 /nfs/dbraw/zinc/44/98/78/212449878.db2.gz NZHSKHDFHXIDHT-UHFFFAOYSA-N 0 0 349.415 4.083 50 0 EIAARN Cc1ccc(S[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000024958631 212448886 /nfs/dbraw/zinc/44/88/86/212448886.db2.gz XDCWDDBIHIBGOQ-ZDUSSCGKSA-N 0 0 337.452 4.359 50 0 EIAARN O=C1c2ccccc2C(=O)N1CCCSc1ccc2ccccc2n1 ZINC000024658815 212431599 /nfs/dbraw/zinc/43/15/99/212431599.db2.gz RGICSEUOQWPUIS-UHFFFAOYSA-N 0 0 348.427 4.013 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1 ZINC000023975967 212401397 /nfs/dbraw/zinc/40/13/97/212401397.db2.gz KGIQVLXKHJECNL-SNVBAGLBSA-N 0 0 325.742 4.432 50 0 EIAARN O=C(NCC[C@@H]1CCCO1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000023876072 212397742 /nfs/dbraw/zinc/39/77/42/212397742.db2.gz SVTXYBZKMRXNAK-KRWDZBQOSA-N 0 0 346.430 4.201 50 0 EIAARN COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2cccs2)cc1F ZINC000023786490 212396402 /nfs/dbraw/zinc/39/64/02/212396402.db2.gz MSEYSIHWSAIKDA-HEWZJLJBSA-N 0 0 331.412 4.273 50 0 EIAARN CCc1noc(C)c1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000023793754 212396036 /nfs/dbraw/zinc/39/60/36/212396036.db2.gz KXHOZOGCGCQKJA-VIFPVBQESA-N 0 0 326.318 4.055 50 0 EIAARN Cc1sc2nc(CN(C)[C@H](C)c3cccs3)nc(N)c2c1C ZINC000023731756 212393424 /nfs/dbraw/zinc/39/34/24/212393424.db2.gz BJKKDCMAWSFKNY-SNVBAGLBSA-N 0 0 332.498 4.145 50 0 EIAARN O[C@@H](CSc1nc2ccccc2c(NC2CC2)n1)c1ccccc1 ZINC000023674219 212389309 /nfs/dbraw/zinc/38/93/09/212389309.db2.gz GNHLZLLYMFXCDJ-KRWDZBQOSA-N 0 0 337.448 4.030 50 0 EIAARN C(=C/c1ccncc1)\c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000074447762 216487994 /nfs/dbraw/zinc/48/79/94/216487994.db2.gz DKWQVTMRJIGLSD-CMDGGOBGSA-N 0 0 342.358 4.489 50 0 EIAARN C[C@@H](c1ccco1)N(C)C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000074519247 216493844 /nfs/dbraw/zinc/49/38/44/216493844.db2.gz TXYVUORLAZGECO-ZDUSSCGKSA-N 0 0 343.354 4.424 50 0 EIAARN CCCc1ccc(-c2nc(NC(=O)C3CCOCC3)sc2C)cc1 ZINC000023271809 212366391 /nfs/dbraw/zinc/36/63/91/212366391.db2.gz SXLOIWDAIBGQCE-UHFFFAOYSA-N 0 0 344.480 4.436 50 0 EIAARN CC(=O)Nc1ccc(-c2cccc(-c3cc[nH]n3)c2)c2cccnc12 ZINC000023366830 212370347 /nfs/dbraw/zinc/37/03/47/212370347.db2.gz WQHYTSVUZIGBJR-UHFFFAOYSA-N 0 0 328.375 4.250 50 0 EIAARN COc1ccc(Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)cc1 ZINC000023312061 212368013 /nfs/dbraw/zinc/36/80/13/212368013.db2.gz SKAIITBYXMTTTN-UHFFFAOYSA-N 0 0 342.402 4.064 50 0 EIAARN Cc1nc(SCc2nnsc2Cl)[nH]c1Cc1ccccc1 ZINC000023274780 212366179 /nfs/dbraw/zinc/36/61/79/212366179.db2.gz QUGRKWSGJXXIMC-UHFFFAOYSA-N 0 0 336.873 4.106 50 0 EIAARN O=C(Cc1ccc2c(c1)CCC2)Nc1nc2ccc(F)cc2s1 ZINC000023119222 212349439 /nfs/dbraw/zinc/34/94/39/212349439.db2.gz FOCPYXBDKXEWMT-UHFFFAOYSA-N 0 0 326.396 4.105 50 0 EIAARN Cc1ccc(-c2nc(CN3CCC[C@H]3c3nonc3C)c(C)o2)s1 ZINC000023130238 212351665 /nfs/dbraw/zinc/35/16/65/212351665.db2.gz AJVZXYBADPLGRI-AWEZNQCLSA-N 0 0 344.440 4.048 50 0 EIAARN O=C(Cc1cc(-c2cc3ccccc3o2)on1)Nc1cccc(F)c1 ZINC000023127284 212350510 /nfs/dbraw/zinc/35/05/10/212350510.db2.gz QOFHIEXRXOGLGU-UHFFFAOYSA-N 0 0 336.322 4.408 50 0 EIAARN COc1cc(Cl)c(NC(=O)CCCc2cccs2)cc1OC ZINC000023054183 212344450 /nfs/dbraw/zinc/34/44/50/212344450.db2.gz ODQOILIZARUCKT-UHFFFAOYSA-N 0 0 339.844 4.380 50 0 EIAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc2ccccc21 ZINC000023039333 212344455 /nfs/dbraw/zinc/34/44/55/212344455.db2.gz AIJDQHYJGIMSSE-UHFFFAOYSA-N 0 0 346.430 4.167 50 0 EIAARN O=C(Cc1ccccc1F)Nc1ccccc1N1CCCCCC1 ZINC000022829057 212326442 /nfs/dbraw/zinc/32/64/42/212326442.db2.gz VAHRHHNZJATVRK-UHFFFAOYSA-N 0 0 326.415 4.387 50 0 EIAARN Cc1noc(-c2ccccc2Cl)c1C(=O)NCCc1cccs1 ZINC000022662310 212314629 /nfs/dbraw/zinc/31/46/29/212314629.db2.gz YTNSDDRWLDXPJS-UHFFFAOYSA-N 0 0 346.839 4.337 50 0 EIAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccccc1C ZINC000022627982 212313177 /nfs/dbraw/zinc/31/31/77/212313177.db2.gz OWRSPINAIMXQLH-UHFFFAOYSA-N 0 0 349.459 4.498 50 0 EIAARN C[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C(C)(C)C ZINC000022625080 212312948 /nfs/dbraw/zinc/31/29/48/212312948.db2.gz GNJVKIJQJSUCDS-GFCCVEGCSA-N 0 0 345.464 4.351 50 0 EIAARN CCCN(CCC)C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000022621029 212312616 /nfs/dbraw/zinc/31/26/16/212312616.db2.gz HJFKESLVKMPFIK-UHFFFAOYSA-N 0 0 331.437 4.406 50 0 EIAARN CCC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000022623687 212312073 /nfs/dbraw/zinc/31/20/73/212312073.db2.gz PFVJIODFSGCADG-MAUKXSAKSA-N 0 0 346.515 4.043 50 0 EIAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccccn2)cc1C ZINC000022506858 212301940 /nfs/dbraw/zinc/30/19/40/212301940.db2.gz AQHORSDZGRRKKI-UHFFFAOYSA-N 0 0 335.432 4.497 50 0 EIAARN CC(C)C(=O)N1CCCc2cc(NC(=O)NC3CCCCC3)ccc21 ZINC000022504377 212301754 /nfs/dbraw/zinc/30/17/54/212301754.db2.gz OWDJAPYKDIEBQR-UHFFFAOYSA-N 0 0 343.471 4.076 50 0 EIAARN CCC(=O)N1CCCc2ccc(NC(=O)Nc3cccc(C)c3)cc21 ZINC000022502878 212301764 /nfs/dbraw/zinc/30/17/64/212301764.db2.gz VGOPDXFXTKPRIG-UHFFFAOYSA-N 0 0 337.423 4.328 50 0 EIAARN Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1C ZINC000022480172 212301157 /nfs/dbraw/zinc/30/11/57/212301157.db2.gz MHDYCXYOLODMLE-UHFFFAOYSA-N 0 0 337.341 4.131 50 0 EIAARN O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccco1 ZINC000022461405 212297947 /nfs/dbraw/zinc/29/79/47/212297947.db2.gz PPAVGHCHGBEVPK-UHFFFAOYSA-N 0 0 337.360 4.310 50 0 EIAARN C[C@@H](NC(=O)N1CCc2sccc2C1)c1ccc2c(c1)CCCC2 ZINC000022395906 212294027 /nfs/dbraw/zinc/29/40/27/212294027.db2.gz XATJHJIQRJHEND-CQSZACIVSA-N 0 0 340.492 4.456 50 0 EIAARN CN(C)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cn1 ZINC000022418703 212296312 /nfs/dbraw/zinc/29/63/12/212296312.db2.gz CELMJBMREVOQGH-UHFFFAOYSA-N 0 0 333.391 4.192 50 0 EIAARN Cc1cc(C(=O)COC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c(C)[nH]1 ZINC000022410530 212295707 /nfs/dbraw/zinc/29/57/07/212295707.db2.gz ALKZFSYHOHSHKQ-SFHVURJKSA-N 0 0 347.842 4.451 50 0 EIAARN COCc1c2ccccc2oc1C(=O)N[C@H](C)c1ccccc1OC ZINC000022367583 212293612 /nfs/dbraw/zinc/29/36/12/212293612.db2.gz SBBFOHBSSACPJF-CYBMUJFWSA-N 0 0 339.391 4.079 50 0 EIAARN CC(C)CCNC(=O)c1sc2cc3c(cc2c1Cl)OCO3 ZINC000022351219 212293644 /nfs/dbraw/zinc/29/36/44/212293644.db2.gz PEYSIXQLHDKBCG-UHFFFAOYSA-N 0 0 325.817 4.059 50 0 EIAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)C(C)C ZINC000022349555 212293710 /nfs/dbraw/zinc/29/37/10/212293710.db2.gz VRQSVDPLONDZID-UHFFFAOYSA-N 0 0 331.437 4.110 50 0 EIAARN CCCc1cc(C(=O)OCC)c(NC(=O)CCc2ccccc2)s1 ZINC000022346749 212293321 /nfs/dbraw/zinc/29/33/21/212293321.db2.gz CACCRBRMOAVGPC-UHFFFAOYSA-N 0 0 345.464 4.449 50 0 EIAARN CCCc1cc(C(=O)OCC)c(NC(=O)c2cc(C)oc2C)s1 ZINC000022350573 212293128 /nfs/dbraw/zinc/29/31/28/212293128.db2.gz WEAYBVXZELDEIN-UHFFFAOYSA-N 0 0 335.425 4.339 50 0 EIAARN Cc1noc(C)c1[C@@H](C)CC(=O)N(CC(F)F)c1ccc(F)cc1 ZINC000193858792 240339139 /nfs/dbraw/zinc/33/91/39/240339139.db2.gz HXUYZXOURHQQHS-JTQLQIEISA-N 0 0 340.345 4.222 50 0 EIAARN O=C(C[C@@H]1C=CCC1)N[C@H]1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000022332131 212291192 /nfs/dbraw/zinc/29/11/92/212291192.db2.gz DOAFZPJYYZERDX-OLZOCXBDSA-N 0 0 328.843 4.151 50 0 EIAARN 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CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@H]1C)[C@H]3[C@@H]2C ZINC000239378361 242956700 /nfs/dbraw/zinc/95/67/00/242956700.db2.gz OPDBPJWZYLLHKS-FOLKFRGRSA-N 0 0 344.451 4.141 50 0 EIAARN COCCN(C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000020909710 212186686 /nfs/dbraw/zinc/18/66/86/212186686.db2.gz PSSIZBCQXBPURG-UHFFFAOYSA-N 0 0 336.435 4.395 50 0 EIAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc2ncccc21 ZINC000020913460 212186485 /nfs/dbraw/zinc/18/64/85/212186485.db2.gz FLDFPJIBTUJZMF-UHFFFAOYSA-N 0 0 346.308 4.271 50 0 EIAARN CC(C)N(C(=O)c1noc2c1COc1ccccc1-2)C1CCCCC1 ZINC000020901982 212185161 /nfs/dbraw/zinc/18/51/61/212185161.db2.gz FIGWSEZKOZVKLV-UHFFFAOYSA-N 0 0 340.423 4.417 50 0 EIAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(OC)c1 ZINC000020900205 212184930 /nfs/dbraw/zinc/18/49/30/212184930.db2.gz UXWMNJUKQZNNPZ-KRWDZBQOSA-N 0 0 327.428 4.194 50 0 EIAARN CCOc1ccccc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 ZINC000020899454 212184029 /nfs/dbraw/zinc/18/40/29/212184029.db2.gz PXLSLBRVSNCTHQ-UHFFFAOYSA-N 0 0 337.379 4.004 50 0 EIAARN Cc1ccc(C)c(C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1 ZINC000020894601 212183805 /nfs/dbraw/zinc/18/38/05/212183805.db2.gz LXJHEXZWZCSCMD-HNNXBMFYSA-N 0 0 330.225 4.344 50 0 EIAARN O=C(Oc1ccc(Br)cc1)c1cc(-c2ccccc2)on1 ZINC000020896613 212183399 /nfs/dbraw/zinc/18/33/99/212183399.db2.gz JKFMPALHBBMDAH-UHFFFAOYSA-N 0 0 344.164 4.323 50 0 EIAARN Cc1nc(CC(=O)N2CCOc3c2cccc3C(C)(C)C)c(C)s1 ZINC000242038542 243008155 /nfs/dbraw/zinc/00/81/55/243008155.db2.gz VLXGBMORSNUFQO-UHFFFAOYSA-N 0 0 344.480 4.026 50 0 EIAARN c1csc([C@H]2CCCCN2Cc2cncn2Cc2ccccc2)n1 ZINC000244601962 243044672 /nfs/dbraw/zinc/04/46/72/243044672.db2.gz DVCVOBNJMJNAGA-GOSISDBHSA-N 0 0 338.480 4.115 50 0 EIAARN CCCc1[nH]nc2c1CN(Cc1csc(-c3ccccc3)n1)CC2 ZINC000020782066 212171691 /nfs/dbraw/zinc/17/16/91/212171691.db2.gz NPCIGUKCNTUUKF-UHFFFAOYSA-N 0 0 338.480 4.044 50 0 EIAARN Cc1cc(C(=O)NCC2(c3cccc(F)c3)CCCC2)c(C)n1C ZINC000244811518 243084601 /nfs/dbraw/zinc/08/46/01/243084601.db2.gz SFXDSFSSEYIUIP-UHFFFAOYSA-N 0 0 328.431 4.023 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@H]1CCC21OCCO1 ZINC000245240766 243101516 /nfs/dbraw/zinc/10/15/16/243101516.db2.gz SLODIKZFXFILEX-LQYQHUGMSA-N 0 0 332.484 4.341 50 0 EIAARN O=C(Oc1ccc2c(Cc3ccccc3F)noc2c1)c1ccncc1 ZINC000020744843 212168366 /nfs/dbraw/zinc/16/83/66/212168366.db2.gz ONUGNVFEWNZAIP-UHFFFAOYSA-N 0 0 348.333 4.172 50 0 EIAARN c1ccc([C@H]2C[C@@H](N3CCCCC3)Oc3cc4c(cc32)OCO4)cc1 ZINC000020719701 212164243 /nfs/dbraw/zinc/16/42/43/212164243.db2.gz RQQFFNMHVWUEHQ-IERDGZPVSA-N 0 0 337.419 4.142 50 0 EIAARN COc1ccccc1-c1nnc2sc(-c3cc4ccccc4[nH]3)nn21 ZINC000020723299 212164110 /nfs/dbraw/zinc/16/41/10/212164110.db2.gz JIIURMHMXNCWDX-UHFFFAOYSA-N 0 0 347.403 4.010 50 0 EIAARN Cc1c(C)c(=O)oc2c1ccc1c2CN(C[C@@H](C)c2ccccc2)CO1 ZINC000020610381 212155340 /nfs/dbraw/zinc/15/53/40/212155340.db2.gz QJFPWEKUNYSZTG-CQSZACIVSA-N 0 0 349.430 4.365 50 0 biogenic EIAARN Cc1c(C)c(=O)oc2c1ccc1c2CN([C@H](C)c2ccccc2)CO1 ZINC000020609920 212154690 /nfs/dbraw/zinc/15/46/90/212154690.db2.gz JWDBOTUBEZAKIS-OAHLLOKOSA-N 0 0 335.403 4.323 50 0 biogenic EIAARN C[C@H](CNC(=O)Nc1cccc2ccccc21)Cn1cc(Cl)cn1 ZINC000020606818 212153300 /nfs/dbraw/zinc/15/33/00/212153300.db2.gz YPPXFBJUXDXILF-CYBMUJFWSA-N 0 0 342.830 4.148 50 0 EIAARN Cc1cc(NC(=O)Cc2ccc(C)c(F)c2)n(C2CCCCC2)n1 ZINC000020600299 212151281 /nfs/dbraw/zinc/15/12/81/212151281.db2.gz VXCHIBWZWQILKF-UHFFFAOYSA-N 0 0 329.419 4.325 50 0 EIAARN C[C@H](NC(=O)c1cc2c3c(ccc2Cl)OCCn13)c1ccccc1 ZINC000020559926 212146515 /nfs/dbraw/zinc/14/65/15/212146515.db2.gz VDEJRPMZIUPFRU-LBPRGKRZSA-N 0 0 340.810 4.178 50 0 EIAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)on1 ZINC000020580339 212150228 /nfs/dbraw/zinc/15/02/28/212150228.db2.gz ZSRLBWDBCMGAMT-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)NC3CCCCC3)c12 ZINC000020578963 212148940 /nfs/dbraw/zinc/14/89/40/212148940.db2.gz VNSCMAAFCRMUOQ-UHFFFAOYSA-N 0 0 348.450 4.100 50 0 EIAARN Cc1cc(C)c(-c2c(=O)c(=O)c2NC2CCCCCCC2)cc1C ZINC000020565429 212147846 /nfs/dbraw/zinc/14/78/46/212147846.db2.gz APOVEWXULZARAS-UHFFFAOYSA-N 0 0 325.452 4.400 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3ccc(F)cc3F)c1CO2 ZINC000020509788 212141850 /nfs/dbraw/zinc/14/18/50/212141850.db2.gz AUKDLMNPUGEEIY-UHFFFAOYSA-N 0 0 342.301 4.073 50 0 EIAARN CCOC(=O)C[C@@H](NCc1ccccc1Cl)c1ccc(C)cc1 ZINC000020506626 212141310 /nfs/dbraw/zinc/14/13/10/212141310.db2.gz VZSKCKDLKFJZKZ-GOSISDBHSA-N 0 0 331.843 4.433 50 0 EIAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)c1cccc2[nH]ccc21 ZINC000253414863 243931056 /nfs/dbraw/zinc/93/10/56/243931056.db2.gz YVFAIEOLAXLKIF-LJQANCHMSA-N 0 0 329.403 4.457 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1noc2c1COc1ccccc1-2 ZINC000020484553 212137965 /nfs/dbraw/zinc/13/79/65/212137965.db2.gz VXHCKWKJHNKOHH-UHFFFAOYSA-N 0 0 326.739 4.140 50 0 EIAARN O=C(NCc1cnc(Cl)s1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000253630155 244042848 /nfs/dbraw/zinc/04/28/48/244042848.db2.gz ROPZUQNWEXYQOQ-BDAKNGLRSA-N 0 0 345.226 4.009 50 0 EIAARN O=C(Nc1ccc(F)cc1Br)c1ccccc1Cl ZINC000020430100 212127696 /nfs/dbraw/zinc/12/76/96/212127696.db2.gz MLDGIKORKSJIKJ-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN Cc1ccc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3)cc2)cc1 ZINC000020244060 212113190 /nfs/dbraw/zinc/11/31/90/212113190.db2.gz MRPLLQJKSZXREV-OAQYLSRUSA-N 0 0 344.414 4.428 50 0 EIAARN COc1ccc(F)c(-c2nc3c[nH]n([C@@H](C)C4CC4)c-3n2)c1Cl ZINC000020205009 212110609 /nfs/dbraw/zinc/11/06/09/212110609.db2.gz AVPPCCGPWALRDD-QMMMGPOBSA-N 0 0 334.782 4.199 50 0 EIAARN C[C@@H]1C[C@@H](C)CN([C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000020108380 212101444 /nfs/dbraw/zinc/10/14/44/212101444.db2.gz DAHVBUUUGZCMAQ-SPYBWZPUSA-N 0 0 348.918 4.418 50 0 EIAARN Nc1c(Br)cc(Br)cc1-c1ccccc1 ZINC000020134656 212105088 /nfs/dbraw/zinc/10/50/88/212105088.db2.gz VBHIFDXFCGYZGI-UHFFFAOYSA-N 0 0 327.019 4.461 50 0 EIAARN CN(Cc1cccc2cnccc21)C(=O)c1ccc(OC(F)F)cc1 ZINC000077338550 216875370 /nfs/dbraw/zinc/87/53/70/216875370.db2.gz FPWMJQLHKHOVRE-UHFFFAOYSA-N 0 0 342.345 4.108 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)c(C)c1 ZINC000077358487 216883416 /nfs/dbraw/zinc/88/34/16/216883416.db2.gz YQUCSWWWHXVITD-HXUWFJFHSA-N 0 0 349.474 4.358 50 0 EIAARN COc1ccc2cc([C@@H]3SCC(=O)N3Cc3ccco3)ccc2c1 ZINC000019926971 212084775 /nfs/dbraw/zinc/08/47/75/212084775.db2.gz ACMPFVSOLXSSAN-IBGZPJMESA-N 0 0 339.416 4.216 50 0 EIAARN Clc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019841194 212073690 /nfs/dbraw/zinc/07/36/90/212073690.db2.gz BLENDBNMHUFZHP-UHFFFAOYSA-N 0 0 335.278 4.311 50 0 EIAARN Cc1nc(-c2cccs2)c(CCC(=O)NCc2ccccc2)s1 ZINC000019819624 212072020 /nfs/dbraw/zinc/07/20/20/212072020.db2.gz RSDLBCFYNHRXEI-UHFFFAOYSA-N 0 0 342.489 4.429 50 0 EIAARN CCOC(=O)c1c(NC(=S)N(C)CC)sc2c1[C@H](C)CCC2 ZINC000019797089 212069663 /nfs/dbraw/zinc/06/96/63/212069663.db2.gz JXAHFGJYINFIAR-SNVBAGLBSA-N 0 0 340.514 4.013 50 0 EIAARN O=C(N[C@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1)N[C@]12CCC[C@H]1[C@H]1CC[C@@H]2C1 ZINC000261491986 244595310 /nfs/dbraw/zinc/59/53/10/244595310.db2.gz OCLJVESFZXJORW-ZICFSNIISA-N 0 0 328.500 4.223 50 0 EIAARN COCCOc1cccc(NC[C@@H](C)Oc2cc(C)ccc2C)c1 ZINC000019737575 212059637 /nfs/dbraw/zinc/05/96/37/212059637.db2.gz WNEGJYCQETUENW-QGZVFWFLSA-N 0 0 329.440 4.208 50 0 EIAARN COc1cc(C(C)=O)ccc1OCc1ccccc1Br ZINC000019437294 212028794 /nfs/dbraw/zinc/02/87/94/212028794.db2.gz CCLCLASIWSLNOA-UHFFFAOYSA-N 0 0 335.197 4.239 50 0 EIAARN COc1ccc([C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)C(C)C)cc1 ZINC000019310787 212014336 /nfs/dbraw/zinc/01/43/36/212014336.db2.gz SDDJWEPKPFNTFD-DZGCQCFKSA-N 0 0 330.255 4.092 50 0 EIAARN CC(C)c1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 ZINC000019201873 212004345 /nfs/dbraw/zinc/00/43/45/212004345.db2.gz FMUVTAXZJKTZJG-SFQUDFHCSA-N 0 0 344.480 4.290 50 0 EIAARN CCc1ccccc1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C1=O ZINC000018244054 211992727 /nfs/dbraw/zinc/99/27/27/211992727.db2.gz ZCBHLUSOQLVXFZ-OTWHNJEPSA-N 0 0 333.431 4.322 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2C)n1 ZINC000018193792 211987353 /nfs/dbraw/zinc/98/73/53/211987353.db2.gz SQIOKBSATCYRRP-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN CN(C)c1cccc(CNCc2csc(-c3ccsc3)n2)c1 ZINC000078552610 217073324 /nfs/dbraw/zinc/07/33/24/217073324.db2.gz DAQCZTWLZOTLAP-UHFFFAOYSA-N 0 0 329.494 4.227 50 0 EIAARN Cc1csc(C2(NC(=O)c3ccc4ccccc4n3)CCCC2)n1 ZINC000078673769 217099556 /nfs/dbraw/zinc/09/95/56/217099556.db2.gz IFQGDZJJHZJGHD-UHFFFAOYSA-N 0 0 337.448 4.199 50 0 EIAARN O=C(CCc1nccs1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000078712914 217107483 /nfs/dbraw/zinc/10/74/83/217107483.db2.gz KVOPVBBVYYPOLU-QGZVFWFLSA-N 0 0 339.464 4.311 50 0 EIAARN CC(=O)Nc1nc(CSCc2nc(-c3ccco3)oc2C)cs1 ZINC000078714535 217107786 /nfs/dbraw/zinc/10/77/86/217107786.db2.gz FIXHEZDGBHRZDC-UHFFFAOYSA-N 0 0 349.437 4.091 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000017167224 211958019 /nfs/dbraw/zinc/95/80/19/211958019.db2.gz DAVGZAUEUBWRAH-ZIAGYGMSSA-N 0 0 342.464 4.119 50 0 EIAARN CCOc1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)cc1 ZINC000016648829 211925520 /nfs/dbraw/zinc/92/55/20/211925520.db2.gz AJKBYCQCIHNXJQ-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN O=S(=O)(Cc1csc(-c2ccco2)n1)c1cccc(Cl)c1 ZINC000078978946 217162820 /nfs/dbraw/zinc/16/28/20/217162820.db2.gz IUXCFQRZMMWBMV-UHFFFAOYSA-N 0 0 339.825 4.030 50 0 EIAARN Cc1cc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc(C(C)C)n1 ZINC000016454269 211906187 /nfs/dbraw/zinc/90/61/87/211906187.db2.gz VHAWXFYBCVGCLE-HUUCEWRRSA-N 0 0 343.496 4.266 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc3ccccc3[nH]1)O[C@@H](C)C2 ZINC000016303122 211894954 /nfs/dbraw/zinc/89/49/54/211894954.db2.gz DNXRZASTAJBFBV-LBPRGKRZSA-N 0 0 336.391 4.142 50 0 EIAARN CCCCOc1ccc(NC(=O)N2CCC[C@@H](COC)C2)c(C)c1 ZINC000079101417 217194718 /nfs/dbraw/zinc/19/47/18/217194718.db2.gz YSYFTSDHCAOICT-MRXNPFEDSA-N 0 0 334.460 4.064 50 0 EIAARN CC(C)Cc1nc2cc(NC(=O)[C@@H](C(C)C)n3cccc3)ccc2[nH]1 ZINC000263588714 245464890 /nfs/dbraw/zinc/46/48/90/245464890.db2.gz XPEFXQUQFKSTKT-LJQANCHMSA-N 0 0 338.455 4.399 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1 ZINC000079361098 217214953 /nfs/dbraw/zinc/21/49/53/217214953.db2.gz UGKBFYWYPGAEMJ-JOCHJYFZSA-N 0 0 335.856 4.088 50 0 EIAARN CC[C@@H](C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1)c1ccccc1 ZINC000079361095 217215372 /nfs/dbraw/zinc/21/53/72/217215372.db2.gz VGEAXJCSRQIEDP-MWTRTKDXSA-N 0 0 349.883 4.351 50 0 EIAARN COCCn1c2ccccc2nc1SCCOc1ccccc1C ZINC000015860704 211861623 /nfs/dbraw/zinc/86/16/23/211861623.db2.gz ZIDDHIYZQUDMKV-UHFFFAOYSA-N 0 0 342.464 4.162 50 0 EIAARN CC(C)n1cc(CCCC(=O)NCc2cccn2C)c2ccccc21 ZINC000079464283 217228726 /nfs/dbraw/zinc/22/87/26/217228726.db2.gz VXYAHCRWQTVZTP-UHFFFAOYSA-N 0 0 337.467 4.200 50 0 EIAARN CSc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)nn1 ZINC000011791995 211247946 /nfs/dbraw/zinc/24/79/46/211247946.db2.gz ZJPDTUHDTVWJTK-UHFFFAOYSA-N 0 0 349.415 4.075 50 0 EIAARN Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)c(C)n1C ZINC000015651766 211837607 /nfs/dbraw/zinc/83/76/07/211837607.db2.gz ZFARGEPYQYMSMB-UHFFFAOYSA-N 0 0 347.390 4.296 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000015589821 211832452 /nfs/dbraw/zinc/83/24/52/211832452.db2.gz WNKLTMNVOHFIPU-SFHVURJKSA-N 0 0 337.419 4.134 50 0 EIAARN CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(OC)c(Cl)c1 ZINC000080345908 217299042 /nfs/dbraw/zinc/29/90/42/217299042.db2.gz KRLBVYNXZUBBSS-OAHLLOKOSA-N 0 0 347.842 4.244 50 0 EIAARN Cc1nsc(SCCCCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000080338732 217299423 /nfs/dbraw/zinc/29/94/23/217299423.db2.gz FNWCRCUCBXMVDL-UHFFFAOYSA-N 0 0 341.889 4.401 50 0 EIAARN COc1ccc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1OC ZINC000015085994 211802170 /nfs/dbraw/zinc/80/21/70/211802170.db2.gz BVBJAUWLIWNYNF-ZDUSSCGKSA-N 0 0 343.448 4.118 50 0 EIAARN COc1ccc2nc(C(=O)Nc3c(C)cccc3Cl)ccc2c1 ZINC000080821450 217335297 /nfs/dbraw/zinc/33/52/97/217335297.db2.gz KHENZEWCNXDSKY-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN CCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCC3)cc1OC ZINC000014664839 211752153 /nfs/dbraw/zinc/75/21/53/211752153.db2.gz UXCHFGJFDBGCAV-UHFFFAOYSA-N 0 0 345.826 4.488 50 0 EIAARN CC(C)c1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)n(C)n1 ZINC000081823204 217449456 /nfs/dbraw/zinc/44/94/56/217449456.db2.gz RNJICKAYQIHJSQ-UHFFFAOYSA-N 0 0 349.837 4.141 50 0 EIAARN COc1ccc([C@H]2CCCCN2C(=O)CCc2scnc2C)cc1 ZINC000082121781 217472504 /nfs/dbraw/zinc/47/25/04/217472504.db2.gz BUASRRJYFLPPIP-QGZVFWFLSA-N 0 0 344.480 4.147 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)NCc3ccccc3)s2)cs1 ZINC000014185713 211704482 /nfs/dbraw/zinc/70/44/82/211704482.db2.gz CRFVZKHHCUVNCN-UHFFFAOYSA-N 0 0 343.477 4.179 50 0 EIAARN c1oc(-c2ccccc2)nc1CSc1nnc(NC2CC2)s1 ZINC000014184025 211702737 /nfs/dbraw/zinc/70/27/37/211702737.db2.gz KWJUBTZSMLYNMX-UHFFFAOYSA-N 0 0 330.438 4.060 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCOc2ccccc21 ZINC000014160645 211696431 /nfs/dbraw/zinc/69/64/31/211696431.db2.gz CICVBIDTDSPFQX-LJQANCHMSA-N 0 0 334.419 4.131 50 0 EIAARN CCc1ccc(NC(=O)Cc2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000014103246 211683435 /nfs/dbraw/zinc/68/34/35/211683435.db2.gz ZEBKVPOOJIJXSX-UHFFFAOYSA-N 0 0 338.432 4.259 50 0 EIAARN CC(=O)NCc1ccc(-c2nc(-c3ccc(C)cc3)sc2C)o1 ZINC000014102962 211682501 /nfs/dbraw/zinc/68/25/01/211682501.db2.gz SLHDHWYHURIIHN-UHFFFAOYSA-N 0 0 326.421 4.323 50 0 EIAARN Cc1cc(N(C)C)cc(C)c1NC(=O)c1csc(C(C)(C)C)n1 ZINC000084086198 217574743 /nfs/dbraw/zinc/57/47/43/217574743.db2.gz DEQHCHVFCIUJNB-UHFFFAOYSA-N 0 0 331.485 4.376 50 0 EIAARN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCC1=CCCCC1 ZINC000084651630 217626030 /nfs/dbraw/zinc/62/60/30/217626030.db2.gz PEHSZQSXMONZJG-MYYSRTQBSA-N 0 0 348.512 4.017 50 0 EIAARN O=C(Nc1ccc(Br)c(F)c1)c1ccccc1Cl ZINC000084847446 217650491 /nfs/dbraw/zinc/65/04/91/217650491.db2.gz AIJQIMNTTLIRJI-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN COc1cccc([C@@H](C)NC(=O)Nc2ccccc2Br)c1 ZINC000013745354 211630373 /nfs/dbraw/zinc/63/03/73/211630373.db2.gz ULKSTFYHHKKERP-LLVKDONJSA-N 0 0 349.228 4.340 50 0 EIAARN O=C(Nc1ccnn1Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000013726362 211622176 /nfs/dbraw/zinc/62/21/76/211622176.db2.gz MXCYOGKMURUEGX-UHFFFAOYSA-N 0 0 346.217 4.491 50 0 EIAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccccn1 ZINC000013690431 211612498 /nfs/dbraw/zinc/61/24/98/211612498.db2.gz IQEAMNHRLZPZGH-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000013494960 211568607 /nfs/dbraw/zinc/56/86/07/211568607.db2.gz HTKUUGMIGWTNEJ-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3Cl)n2)cc1 ZINC000013495231 211567823 /nfs/dbraw/zinc/56/78/23/211567823.db2.gz MWJOLJFYDKYHMP-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN O=c1cc(-c2ccccc2)nc(Cc2c(Cl)cccc2Cl)[nH]1 ZINC000013469337 211562731 /nfs/dbraw/zinc/56/27/31/211562731.db2.gz KMUCRBFVNDPSKF-UHFFFAOYSA-N 0 0 331.202 4.335 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000013048552 211517049 /nfs/dbraw/zinc/51/70/49/211517049.db2.gz BSIGDVJMIMICGY-GOSISDBHSA-N 0 0 326.396 4.073 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1ccc(C)cc1 ZINC000013041413 211516484 /nfs/dbraw/zinc/51/64/84/211516484.db2.gz TWALWJQNZXHFFL-MDZDMXLPSA-N 0 0 331.847 4.461 50 0 EIAARN CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000013020814 211514313 /nfs/dbraw/zinc/51/43/13/211514313.db2.gz CZXFNVIXZABIGD-ZDUSSCGKSA-N 0 0 329.371 4.133 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000013012289 211512076 /nfs/dbraw/zinc/51/20/76/211512076.db2.gz WPAKKAADQIZZJJ-OAHLLOKOSA-N 0 0 333.387 4.448 50 0 EIAARN O=C(COc1c(Cl)cccc1Cl)Nc1cccnc1Cl ZINC000013010785 211510963 /nfs/dbraw/zinc/51/09/63/211510963.db2.gz ZGLBNUSNWNRROZ-UHFFFAOYSA-N 0 0 331.586 4.059 50 0 EIAARN CC[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(C)cc1 ZINC000012974625 211495318 /nfs/dbraw/zinc/49/53/18/211495318.db2.gz HDOLTEKVHRPXFL-OAHLLOKOSA-N 0 0 327.453 4.133 50 0 EIAARN CN(Cc1ccsc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000012971647 211494298 /nfs/dbraw/zinc/49/42/98/211494298.db2.gz IBRUMDBZNBVLAG-CQSZACIVSA-N 0 0 336.457 4.266 50 0 EIAARN Cc1noc2nc(C)cc(C(=O)N[C@@H](C)c3cc4ccccc4o3)c12 ZINC000012926746 211485124 /nfs/dbraw/zinc/48/51/24/211485124.db2.gz WVFGIHVYLYKMFG-NSHDSACASA-N 0 0 335.363 4.077 50 0 EIAARN CCCCN(C(=O)c1ccc(NC(=O)OC)cc1)c1ccccc1 ZINC000012900697 211479264 /nfs/dbraw/zinc/47/92/64/211479264.db2.gz KCVMFJOHVBFZJW-UHFFFAOYSA-N 0 0 326.396 4.312 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)N[C@H](C)CCc1ccccc1 ZINC000012865818 211472633 /nfs/dbraw/zinc/47/26/33/211472633.db2.gz AHGFBPQSDDOKKH-HZPDHXFCSA-N 0 0 326.440 4.077 50 0 EIAARN C[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000012865777 211472422 /nfs/dbraw/zinc/47/24/22/211472422.db2.gz SUQSWCUSZRKLPV-UONOGXRCSA-N 0 0 332.394 4.346 50 0 EIAARN O=C(CCSc1nccn1-c1ccccc1)Nc1ccccc1F ZINC000012794746 211459279 /nfs/dbraw/zinc/45/92/79/211459279.db2.gz SJUMTFIFMBPIIS-UHFFFAOYSA-N 0 0 341.411 4.132 50 0 EIAARN CCCOc1c(OCC)cccc1[C@H]1NC(=O)c2cccc(C)c2N1 ZINC000012727838 211440388 /nfs/dbraw/zinc/44/03/88/211440388.db2.gz NXKULDMSJRPHLM-LJQANCHMSA-N 0 0 340.423 4.037 50 0 EIAARN O=C(c1ccc(CNc2nc3ccccc3o2)cc1)N1CCCCC1 ZINC000012774897 211452922 /nfs/dbraw/zinc/45/29/22/211452922.db2.gz XBAYHJOWEQEVQQ-UHFFFAOYSA-N 0 0 335.407 4.066 50 0 EIAARN Cc1cnc(NC(=O)c2ccccc2NC(=O)c2cccs2)s1 ZINC000012771345 211450898 /nfs/dbraw/zinc/45/08/98/211450898.db2.gz NVKIPBYDRRCWAS-UHFFFAOYSA-N 0 0 343.433 4.018 50 0 EIAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccncc1 ZINC000012543226 211405879 /nfs/dbraw/zinc/40/58/79/211405879.db2.gz NTAVGRMROZSUQR-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CSCC[C@@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC000012602091 211421251 /nfs/dbraw/zinc/42/12/51/211421251.db2.gz RZBMQFCJJHVIST-MRXNPFEDSA-N 0 0 340.452 4.179 50 0 EIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Br)c1 ZINC000012523184 211398099 /nfs/dbraw/zinc/39/80/99/211398099.db2.gz QLVANFSEVGYHDA-INIZCTEOSA-N 0 0 345.240 4.426 50 0 EIAARN CN(C(=O)c1cccc(-n2cccc2)c1)c1nc2ccccc2s1 ZINC000012517127 211396102 /nfs/dbraw/zinc/39/61/02/211396102.db2.gz FIULKBQHVMGNDS-UHFFFAOYSA-N 0 0 333.416 4.364 50 0 EIAARN Cc1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1F ZINC000012487884 211393661 /nfs/dbraw/zinc/39/36/61/211393661.db2.gz BICINWKPELDQQF-UHFFFAOYSA-N 0 0 349.409 4.127 50 0 EIAARN O=C(NCCCn1cnc2ccccc21)c1cc(Cl)ccc1Cl ZINC000012490300 211393587 /nfs/dbraw/zinc/39/35/87/211393587.db2.gz AFQMWBQITLPQTM-UHFFFAOYSA-N 0 0 348.233 4.163 50 0 EIAARN O=C(CCC(F)(F)F)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000012472923 211390468 /nfs/dbraw/zinc/39/04/68/211390468.db2.gz MIZLTSFJILEVMR-LBPRGKRZSA-N 0 0 349.343 4.479 50 0 EIAARN Cc1occc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000012448383 211386017 /nfs/dbraw/zinc/38/60/17/211386017.db2.gz OAXKMAFSEFXUMH-GOSISDBHSA-N 0 0 326.440 4.428 50 0 EIAARN C[C@H](NC(=O)Nc1cccc(-c2ncco2)c1)[C@@H]1COc2ccccc21 ZINC000089894420 217875444 /nfs/dbraw/zinc/87/54/44/217875444.db2.gz OIISKFOLMPAOMA-GUYCJALGSA-N 0 0 349.390 4.028 50 0 EIAARN C[C@H](NC(=O)CCCc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000089904759 217879011 /nfs/dbraw/zinc/87/90/11/217879011.db2.gz GXDJTSRUAGLKGP-ZDUSSCGKSA-N 0 0 336.357 4.301 50 0 EIAARN CCC(=O)N1N=C(c2ccccc2C)C[C@@H]1c1ccc2nccnc2c1 ZINC000012389217 211364594 /nfs/dbraw/zinc/36/45/94/211364594.db2.gz XURDEOSIRHIHCU-HXUWFJFHSA-N 0 0 344.418 4.026 50 0 EIAARN CC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)c1cccnc1 ZINC000012382850 211363741 /nfs/dbraw/zinc/36/37/41/211363741.db2.gz LDEXCPCDMOUZOA-UHFFFAOYSA-N 0 0 332.425 4.084 50 0 EIAARN COc1cccc([C@H](C)NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000012383781 211363779 /nfs/dbraw/zinc/36/37/79/211363779.db2.gz QEJKVYAELWDUJO-VIFPVBQESA-N 0 0 325.742 4.118 50 0 EIAARN CC(C)(C)c1cc(NC(=O)c2cc(Br)cs2)no1 ZINC000012381609 211361751 /nfs/dbraw/zinc/36/17/51/211361751.db2.gz IPRNRENPNDXZPG-UHFFFAOYSA-N 0 0 329.219 4.048 50 0 EIAARN COc1ccc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000012380740 211361577 /nfs/dbraw/zinc/36/15/77/211361577.db2.gz JDZXHVGECZMATB-SNVBAGLBSA-N 0 0 340.206 4.408 50 0 EIAARN COc1ccc(C=O)cc1Cn1c2ccccc2nc1-c1cncs1 ZINC000012371120 211356795 /nfs/dbraw/zinc/35/67/95/211356795.db2.gz SULHHXVIJOEIMU-UHFFFAOYSA-N 0 0 349.415 4.029 50 0 EIAARN COc1ccc(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000012341075 211352458 /nfs/dbraw/zinc/35/24/58/211352458.db2.gz IBLFARRVEAMKBY-UHFFFAOYSA-N 0 0 332.812 4.200 50 0 EIAARN Cc1oc(-c2ccoc2)nc1CN1CCCC[C@H]1c1nccs1 ZINC000012315365 211344026 /nfs/dbraw/zinc/34/40/26/211344026.db2.gz GOGPGBUBUDMXQK-HNNXBMFYSA-N 0 0 329.425 4.427 50 0 EIAARN CCO[C@H](C)c1noc(CN(C)Cc2cccc(Cl)c2Cl)n1 ZINC000089984983 217903876 /nfs/dbraw/zinc/90/38/76/217903876.db2.gz PFOMYVGQXNAUSL-SNVBAGLBSA-N 0 0 344.242 4.106 50 0 EIAARN Cc1cccnc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1F ZINC000012308297 211342767 /nfs/dbraw/zinc/34/27/67/211342767.db2.gz NZJNCQJORWNFIY-LJQANCHMSA-N 0 0 348.421 4.368 50 0 EIAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1ccccc1 ZINC000012311507 211341231 /nfs/dbraw/zinc/34/12/31/211341231.db2.gz FJRVLNHAHKUKFS-QRQLOZEOSA-N 0 0 346.467 4.166 50 0 EIAARN CC1(C)C[C@H](N(Cc2ccco2)C(=O)Oc2ccccc2)CCO1 ZINC000012297121 211334963 /nfs/dbraw/zinc/33/49/63/211334963.db2.gz ASGSARYRWXVQDF-OAHLLOKOSA-N 0 0 329.396 4.238 50 0 biogenic EIAARN O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)C2=CCCCC2)C1 ZINC000012298333 211336781 /nfs/dbraw/zinc/33/67/81/211336781.db2.gz DXOFPPWEPPKYAE-INIZCTEOSA-N 0 0 331.843 4.262 50 0 EIAARN O=C(c1ccccc1F)N(CCc1cccs1)Cc1ccoc1 ZINC000090612290 217945093 /nfs/dbraw/zinc/94/50/93/217945093.db2.gz GEJINBLGXUEPMX-UHFFFAOYSA-N 0 0 329.396 4.365 50 0 EIAARN Cc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)cc1C ZINC000012168449 211310739 /nfs/dbraw/zinc/31/07/39/211310739.db2.gz WYEIUXKRFJPMJR-UHFFFAOYSA-N 0 0 348.402 4.235 50 0 EIAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCc2sccc2C1 ZINC000012216758 211322255 /nfs/dbraw/zinc/32/22/55/211322255.db2.gz RVUQHTDVLORDCL-UHFFFAOYSA-N 0 0 342.851 4.457 50 0 EIAARN O=C(c1csc2c1CCCC2)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000012204040 211321187 /nfs/dbraw/zinc/32/11/87/211321187.db2.gz HBQOZBUVWVSOPL-MRXNPFEDSA-N 0 0 340.492 4.344 50 0 EIAARN CC(C)C[C@H](O)c1ccc2c(c1)CN(Cc1ccccc1F)CCO2 ZINC000012100308 211291686 /nfs/dbraw/zinc/29/16/86/211291686.db2.gz LKCDGSLARWWGNJ-FQEVSTJZSA-N 0 0 343.442 4.300 50 0 EIAARN CCCOc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1 ZINC000012062605 211284522 /nfs/dbraw/zinc/28/45/22/211284522.db2.gz FZCIXGXWRFWRSR-UHFFFAOYSA-N 0 0 337.379 4.086 50 0 EIAARN CSc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 ZINC000012039772 211283606 /nfs/dbraw/zinc/28/36/06/211283606.db2.gz AJTITWISLYNSOB-UHFFFAOYSA-N 0 0 341.461 4.488 50 0 EIAARN Cc1csc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)n1 ZINC000011985220 211275514 /nfs/dbraw/zinc/27/55/14/211275514.db2.gz GBXDEMMWIANOOB-UHFFFAOYSA-N 0 0 347.827 4.331 50 0 EIAARN CC(C)=CCC[C@]1(C)CCC(=O)N(CCCNc2cccnc2)C1 ZINC000091434104 218004769 /nfs/dbraw/zinc/00/47/69/218004769.db2.gz RZGKQWDKTLFEBC-HXUWFJFHSA-N 0 0 329.488 4.259 50 0 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C[C@H](c1cccs1)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000009494276 211091582 /nfs/dbraw/zinc/09/15/82/211091582.db2.gz CLKFOQWWQGCVFF-LLVKDONJSA-N 0 0 342.386 4.398 50 0 EIAARN Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CC(C)C)nc3c12 ZINC000009423745 211082529 /nfs/dbraw/zinc/08/25/29/211082529.db2.gz MBFMLIQYAJIHNB-UHFFFAOYSA-N 0 0 337.402 4.023 50 0 EIAARN O=C(NCCCn1ccc2ccccc21)c1ccc(F)cc1Cl ZINC000009379262 211077244 /nfs/dbraw/zinc/07/72/44/211077244.db2.gz RHNBRCWQGHTXJO-UHFFFAOYSA-N 0 0 330.790 4.254 50 0 EIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000009377824 211077765 /nfs/dbraw/zinc/07/77/65/211077765.db2.gz QKMQNUDXKZATMT-KRWDZBQOSA-N 0 0 346.814 4.031 50 0 EIAARN CC[C@@H](Nc1ccc2c3c(cccc31)CC2)C(=O)Nc1cc(C)on1 ZINC000009368918 211077594 /nfs/dbraw/zinc/07/75/94/211077594.db2.gz ZMMCLHZGZJDQCE-MRXNPFEDSA-N 0 0 335.407 4.064 50 0 EIAARN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c(OC)c1 ZINC000009315296 211066244 /nfs/dbraw/zinc/06/62/44/211066244.db2.gz PJHUWMVDBKPNET-UONOGXRCSA-N 0 0 331.799 4.099 50 0 EIAARN NC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000009220759 211055427 /nfs/dbraw/zinc/05/54/27/211055427.db2.gz PWMFHCPFFVFOHM-UHFFFAOYSA-N 0 0 340.386 4.139 50 0 EIAARN Cc1cccc(-c2nnc3sc([C@H](C)Oc4ccccc4)nn32)c1 ZINC000009227244 211055433 /nfs/dbraw/zinc/05/54/33/211055433.db2.gz XPIHAKGEFYRKEH-ZDUSSCGKSA-N 0 0 336.420 4.301 50 0 EIAARN Cc1ccc2cccc(O[C@@H](C)C(=O)NC3CCCCCC3)c2n1 ZINC000009220840 211054873 /nfs/dbraw/zinc/05/48/73/211054873.db2.gz XBNXGJQTWLWGIH-HNNXBMFYSA-N 0 0 326.440 4.150 50 0 EIAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc2cccnc21 ZINC000009221091 211054620 /nfs/dbraw/zinc/05/46/20/211054620.db2.gz OYOZSVKXJUTODQ-UHFFFAOYSA-N 0 0 331.419 4.396 50 0 EIAARN CCOC(=O)c1sc(NC(=O)[C@H](CC)c2ccccc2)cc1C ZINC000009217063 211053495 /nfs/dbraw/zinc/05/34/95/211053495.db2.gz OFFYOODNHBWXIA-CQSZACIVSA-N 0 0 331.437 4.366 50 0 EIAARN Cc1cnc(NC(=O)c2cc3cc(Br)ccc3o2)s1 ZINC000009184007 211048766 /nfs/dbraw/zinc/04/87/66/211048766.db2.gz YCXYUNZIVHSGFD-UHFFFAOYSA-N 0 0 337.198 4.213 50 0 EIAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2Cl)cc1 ZINC000095117437 218282031 /nfs/dbraw/zinc/28/20/31/218282031.db2.gz RTBCNNBUXJSWPJ-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN FC(F)(Cl)Oc1ccc(Br)cc1Br ZINC000095215673 218282513 /nfs/dbraw/zinc/28/25/13/218282513.db2.gz HQSPIWKTANYBTR-UHFFFAOYSA-N 0 0 336.357 4.380 50 0 EIAARN c1ccc(CON=c2nc(-c3ccncc3)[nH]c3ccccc32)cc1 ZINC000095348727 218283027 /nfs/dbraw/zinc/28/30/27/218283027.db2.gz LKMOYXSWHQFDQG-UHFFFAOYSA-N 0 0 328.375 4.236 50 0 EIAARN COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 ZINC000009204259 211051189 /nfs/dbraw/zinc/05/11/89/211051189.db2.gz OLJOKJJZCXXKTP-UHFFFAOYSA-N 0 0 327.405 4.192 50 0 EIAARN COCCC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2C)C1 ZINC000095354155 218288008 /nfs/dbraw/zinc/28/80/08/218288008.db2.gz FNAAWIQDBRMKPO-AWEZNQCLSA-N 0 0 343.389 4.293 50 0 EIAARN O=c1c(=O)c(-c2ccc(Cl)cc2)c1N[C@H]1CCCc2ccccc21 ZINC000009153085 211044322 /nfs/dbraw/zinc/04/43/22/211044322.db2.gz GJJJPRYICCCDFP-INIZCTEOSA-N 0 0 337.806 4.093 50 0 EIAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@H]1CC ZINC000009061988 211037693 /nfs/dbraw/zinc/03/76/93/211037693.db2.gz XLRYFVLZPOUWHN-CYBMUJFWSA-N 0 0 345.892 4.000 50 0 EIAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C)cc2C)C1 ZINC000095356317 218289170 /nfs/dbraw/zinc/28/91/70/218289170.db2.gz RKMCQSXSRVFPNL-GOSISDBHSA-N 0 0 339.483 4.320 50 0 EIAARN O=C1NC(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1ccccc1 ZINC000009088483 211039181 /nfs/dbraw/zinc/03/91/81/211039181.db2.gz DUOFISCQQARQFV-SFQUDFHCSA-N 0 0 348.333 4.387 50 0 EIAARN Cc1nc2ccc(C(=O)N3CCCC[C@H]3c3cccnc3)cc2nc1C ZINC000095361277 218294090 /nfs/dbraw/zinc/29/40/90/218294090.db2.gz DRIKJSXEWPATKW-FQEVSTJZSA-N 0 0 346.434 4.009 50 0 biogenic EIAARN Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)nn1C ZINC000009001786 211029875 /nfs/dbraw/zinc/02/98/75/211029875.db2.gz DRZHKBXQGUKEBV-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000008973025 211024292 /nfs/dbraw/zinc/02/42/92/211024292.db2.gz NAAFELFPQNRTIC-CQSZACIVSA-N 0 0 341.773 4.343 50 0 EIAARN CCOc1ccc(-c2n[nH]c(C)c2Oc2cccc(OC)c2)c(O)c1 ZINC000008971348 211024176 /nfs/dbraw/zinc/02/41/76/211024176.db2.gz IIFDEVAPXVPWPX-UHFFFAOYSA-N 0 0 340.379 4.290 50 0 EIAARN Cc1ccc(C)n1-c1nc2ccc(C(=O)NC3CCCC3)cc2s1 ZINC000008990974 211028466 /nfs/dbraw/zinc/02/84/66/211028466.db2.gz YOMULVSCJXBXCR-UHFFFAOYSA-N 0 0 339.464 4.376 50 0 EIAARN O=C(c1cccc(F)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000008986887 211027042 /nfs/dbraw/zinc/02/70/42/211027042.db2.gz QTWWRHLZMIYPNJ-UHFFFAOYSA-N 0 0 341.382 4.139 50 0 EIAARN NC(=O)[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000008983181 211025991 /nfs/dbraw/zinc/02/59/91/211025991.db2.gz PZKMCFSAJHIJNY-NSHDSACASA-N 0 0 346.761 4.073 50 0 EIAARN COc1cc(OC)c(NC(=O)c2cc(Cl)ccc2F)cc1Cl ZINC000008924917 211018584 /nfs/dbraw/zinc/01/85/84/211018584.db2.gz PKDIRPFRGZXRCF-UHFFFAOYSA-N 0 0 344.169 4.402 50 0 EIAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@H]1c1ccco1 ZINC000095381712 218313770 /nfs/dbraw/zinc/31/37/70/218313770.db2.gz NZRUSEYMSRVDCX-NEPJUHHUSA-N 0 0 338.329 4.107 50 0 EIAARN CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 ZINC000008869589 211014224 /nfs/dbraw/zinc/01/42/24/211014224.db2.gz IPLVHHQBVYOWHC-UHFFFAOYSA-N 0 0 337.379 4.086 50 0 EIAARN COc1ccc2nc(N3C(=O)CS[C@H]3c3ccccc3)sc2c1 ZINC000008715613 210989323 /nfs/dbraw/zinc/98/93/23/210989323.db2.gz ABPQOPJBBOETLR-INIZCTEOSA-N 0 0 342.445 4.084 50 0 EIAARN C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000008707236 210984750 /nfs/dbraw/zinc/98/47/50/210984750.db2.gz VTNVDHLBSIDCLG-NSHDSACASA-N 0 0 349.217 4.351 50 0 EIAARN COCc1nc(CNc2cc(Cl)ccc2N2CCCC2)cs1 ZINC000095409870 218346415 /nfs/dbraw/zinc/34/64/15/218346415.db2.gz HTPBVIRTJBCARP-UHFFFAOYSA-N 0 0 337.876 4.155 50 0 EIAARN Cc1ccc(CNc2cccc(COCC(F)(F)C(F)F)c2)nc1 ZINC000095416635 218355892 /nfs/dbraw/zinc/35/58/92/218355892.db2.gz KHORCIMJYZFSJF-UHFFFAOYSA-N 0 0 342.336 4.419 50 0 EIAARN C[C@@H](SCc1nccn1C(F)F)c1nc(-c2ccccc2)no1 ZINC000095418084 218357216 /nfs/dbraw/zinc/35/72/16/218357216.db2.gz GVTCRQFCZWTLCV-SNVBAGLBSA-N 0 0 336.367 4.323 50 0 EIAARN O=c1[nH]ncc(SCc2ccccc2)c1SCc1ccccc1 ZINC000008652398 210975894 /nfs/dbraw/zinc/97/58/94/210975894.db2.gz PYOHPFAXQSBAKJ-UHFFFAOYSA-N 0 0 340.473 4.355 50 0 EIAARN COc1ccc(-c2nnc(CNc3cc(F)ccc3Cl)o2)cc1 ZINC000095414865 218353189 /nfs/dbraw/zinc/35/31/89/218353189.db2.gz JWNWJQOREIUFSO-UHFFFAOYSA-N 0 0 333.750 4.150 50 0 EIAARN Cc1nnc([C@@H](N[C@H]2CCSc3ccccc32)c2ccccc2)[nH]1 ZINC000095421725 218364095 /nfs/dbraw/zinc/36/40/95/218364095.db2.gz YAKJTIOGGFUHPK-WMZOPIPTSA-N 0 0 336.464 4.029 50 0 EIAARN Cc1ccc2c(c1)OCCC[C@H]2NCc1nccn1Cc1ccccc1 ZINC000095423415 218366113 /nfs/dbraw/zinc/36/61/13/218366113.db2.gz SSGRQHSRJZVBJH-HXUWFJFHSA-N 0 0 347.462 4.243 50 0 EIAARN Cc1csc(CNc2cccc(CSC3CCOCC3)c2)n1 ZINC000095429213 218371713 /nfs/dbraw/zinc/37/17/13/218371713.db2.gz SPRDLOJWJHOWDW-UHFFFAOYSA-N 0 0 334.510 4.476 50 0 EIAARN C[S@](=O)Cc1cccc(NCc2csc(-c3cccs3)n2)c1 ZINC000095429163 218372067 /nfs/dbraw/zinc/37/20/67/218372067.db2.gz MYLDRBYTYWXVOL-JOCHJYFZSA-N 0 0 348.518 4.362 50 0 EIAARN CN(Cc1ccccc1NCc1ccco1)C(=O)c1cccs1 ZINC000095429253 218372117 /nfs/dbraw/zinc/37/21/17/218372117.db2.gz DMYGMPVWTXEWJF-UHFFFAOYSA-N 0 0 326.421 4.225 50 0 EIAARN C[C@H](Oc1ccc(C2CCCCC2)cc1)C(=O)NCC(F)(F)F ZINC000008344284 210940740 /nfs/dbraw/zinc/94/07/40/210940740.db2.gz KUEJNYSGNQUOQX-LBPRGKRZSA-N 0 0 329.362 4.180 50 0 EIAARN C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1c1ccccc1)C1CCOCC1 ZINC000095439610 218383782 /nfs/dbraw/zinc/38/37/82/218383782.db2.gz LGWROPMENODEJZ-VGSWGCGISA-N 0 0 349.474 4.375 50 0 EIAARN O=[S@](Cc1csc([C@H]2CCCO2)n1)Cc1cccc(Cl)c1 ZINC000095442867 218386841 /nfs/dbraw/zinc/38/68/41/218386841.db2.gz IPAQWOLVPFCIHC-SPLOXXLWSA-N 0 0 341.885 4.097 50 0 EIAARN COc1ccc2c(c1)nccc2OCc1csc([C@@H]2CCCO2)n1 ZINC000095442471 218387117 /nfs/dbraw/zinc/38/71/17/218387117.db2.gz AEIURQGOERGEDO-KRWDZBQOSA-N 0 0 342.420 4.130 50 0 EIAARN C[C@H]1C[C@@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CCC1=O ZINC000095447007 218390837 /nfs/dbraw/zinc/39/08/37/218390837.db2.gz AOEFYOVXEYHLLG-RXVVDRJESA-N 0 0 349.474 4.263 50 0 EIAARN CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000095447024 218390860 /nfs/dbraw/zinc/39/08/60/218390860.db2.gz GCOGKJPJCOJOCU-KXBFYZLASA-N 0 0 333.447 4.350 50 0 EIAARN COC(=O)c1cccc(NCc2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000095457003 218399183 /nfs/dbraw/zinc/39/91/83/218399183.db2.gz GSNLYDBIVTZCNO-UHFFFAOYSA-N 0 0 347.374 4.222 50 0 EIAARN Cc1ccc2c(CC(=O)Nc3ccc4c(c3)OCCCO4)coc2c1 ZINC000008275542 210924735 /nfs/dbraw/zinc/92/47/35/210924735.db2.gz ZHXWJENTVXOYIE-UHFFFAOYSA-N 0 0 337.375 4.084 50 0 EIAARN Cc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000008260085 210921585 /nfs/dbraw/zinc/92/15/85/210921585.db2.gz YDWRZZFOKCGWGF-UHFFFAOYSA-N 0 0 346.745 4.195 50 0 EIAARN COc1ccc(OC)c(CNc2c(F)cccc2N2CCCC2)c1 ZINC000095450109 218394498 /nfs/dbraw/zinc/39/44/98/218394498.db2.gz HEEFZMSIKMRUIR-UHFFFAOYSA-N 0 0 330.403 4.055 50 0 EIAARN Cc1nc(CCNC(=O)Nc2ccccc2-c2ccccc2)c(C)o1 ZINC000095452789 218396124 /nfs/dbraw/zinc/39/61/24/218396124.db2.gz LKNIMSJDTRKFIJ-UHFFFAOYSA-N 0 0 335.407 4.323 50 0 EIAARN O=C(COc1cccc(Oc2cccnc2)c1)Nc1ccc(F)cc1 ZINC000095455647 218398172 /nfs/dbraw/zinc/39/81/72/218398172.db2.gz WCSMIAKPSIBZFE-UHFFFAOYSA-N 0 0 338.338 4.031 50 0 EIAARN COc1ccccc1N1CC[C@@H](CNc2ncc(C(C)C)s2)C1 ZINC000095467704 218406047 /nfs/dbraw/zinc/40/60/47/218406047.db2.gz NQZFUGPMUCWONS-AWEZNQCLSA-N 0 0 331.485 4.214 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)N1CCCC2(CCOCC2)C1 ZINC000095503993 218417880 /nfs/dbraw/zinc/41/78/80/218417880.db2.gz SFVPWZIWVSMYPY-UHFFFAOYSA-N 0 0 342.361 4.130 50 0 EIAARN O=C(NCc1ccccc1Cl)c1ccc(F)cc1Br ZINC000008076848 210891327 /nfs/dbraw/zinc/89/13/27/210891327.db2.gz OMIICXATAFLBKS-UHFFFAOYSA-N 0 0 342.595 4.172 50 0 EIAARN O=c1nc(CSc2ccc(Cl)cc2)[nH]c2sc3c(c21)CCC3 ZINC000008013098 210882335 /nfs/dbraw/zinc/88/23/35/210882335.db2.gz 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50 0 EIAARN CC(C)(C)NC(=S)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000004980471 210348738 /nfs/dbraw/zinc/34/87/38/210348738.db2.gz FWZUWJDNCPRULB-UHFFFAOYSA-N 0 0 336.545 4.162 50 0 EIAARN Fc1ccc(Cn2cccc2C2=N[C@@H](Cc3ccccc3)CO2)cc1 ZINC000004970404 210343264 /nfs/dbraw/zinc/34/32/64/210343264.db2.gz QKWQTTXAACYVRI-IBGZPJMESA-N 0 0 334.394 4.064 50 0 EIAARN O=C(CSCc1cccc(Br)c1)N1CCCCCC1 ZINC000004956113 210339357 /nfs/dbraw/zinc/33/93/57/210339357.db2.gz SGVVFIUAQZDNJC-UHFFFAOYSA-N 0 0 342.302 4.085 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1cccc2ccc(C)nc21 ZINC000004939671 210330925 /nfs/dbraw/zinc/33/09/25/210330925.db2.gz NLWQOAIFJMMGNW-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN Cn1c(SCc2csc(-c3ccccc3)n2)nnc1C1CC1 ZINC000004938324 210329741 /nfs/dbraw/zinc/32/97/41/210329741.db2.gz QGGZJCQPHSUCDR-UHFFFAOYSA-N 0 0 328.466 4.108 50 0 EIAARN O=C(COc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003526058 208566814 /nfs/dbraw/zinc/56/68/14/208566814.db2.gz NYLMZJJRTNVOAI-QFIPXVFZSA-N 0 0 346.382 4.233 50 0 EIAARN CCc1ccc([C@H]2c3c(C)[nH]nc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000004928737 210327801 /nfs/dbraw/zinc/32/78/01/210327801.db2.gz YALIORSBNKWBKK-FQEVSTJZSA-N 0 0 331.419 4.339 50 0 EIAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(F)cc1 ZINC000000038198 208555135 /nfs/dbraw/zinc/55/51/35/208555135.db2.gz LCULPVJSPYZTPH-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN Cc1cccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 ZINC000004928150 210325315 /nfs/dbraw/zinc/32/53/15/210325315.db2.gz HFEFSYJYCMTPII-UHFFFAOYSA-N 0 0 348.431 4.122 50 0 EIAARN CCCc1nnc(CSc2nnc(-c3ccc(Cl)cc3)o2)o1 ZINC000004943081 210334747 /nfs/dbraw/zinc/33/47/47/210334747.db2.gz NYVLAJQDSMGHHO-UHFFFAOYSA-N 0 0 336.804 4.018 50 0 EIAARN Cc1cccc(N[C@H]2c3ccccc3C(=O)N2c2ccccn2)c1C ZINC000004915728 210321987 /nfs/dbraw/zinc/32/19/87/210321987.db2.gz RVEXFRKWSHDLMO-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN COc1ccccc1-n1cnnc1SCc1c(F)cccc1Cl ZINC000004895089 210314739 /nfs/dbraw/zinc/31/47/39/210314739.db2.gz QSPIQFYFMMZMED-UHFFFAOYSA-N 0 0 349.818 4.361 50 0 EIAARN COc1ccc(C)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000007056421 208579593 /nfs/dbraw/zinc/57/95/93/208579593.db2.gz QXBAOTMHURPIGN-MDZDMXLPSA-N 0 0 337.828 4.070 50 0 EIAARN CCSC1=N/C(=C/c2cccs2)C(=O)N1c1cccc(OC)c1 ZINC000004883056 210312183 /nfs/dbraw/zinc/31/21/83/210312183.db2.gz IOMGCCULQNAVEN-RVDMUPIBSA-N 0 0 344.461 4.254 50 0 EIAARN Cc1cc(OCc2ccc(C(=O)N3CCCC3)cc2)ccc1Cl ZINC000004855981 210301890 /nfs/dbraw/zinc/30/18/90/210301890.db2.gz QAZNMTSUVGBHDM-UHFFFAOYSA-N 0 0 329.827 4.463 50 0 EIAARN C[C@@H]1CCCCN1C(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000004840624 210294256 /nfs/dbraw/zinc/29/42/56/210294256.db2.gz JPOQVBXAJXEOHC-OAHLLOKOSA-N 0 0 347.418 4.418 50 0 EIAARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000004834064 210292286 /nfs/dbraw/zinc/29/22/86/210292286.db2.gz UTZPTHNBDRGSET-ZROIWOOFSA-N 0 0 335.256 4.189 50 0 EIAARN CC(C)c1nnc([C@H](C)NC(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000097447093 219025822 /nfs/dbraw/zinc/02/58/22/219025822.db2.gz XVAISCSFZQQHJF-QMMMGPOBSA-N 0 0 343.214 4.383 50 0 EIAARN O=C(N/C(=C\c1ccco1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000004812509 210283432 /nfs/dbraw/zinc/28/34/32/210283432.db2.gz QCLHOJMPEZNSLH-PTNGSMBKSA-N 0 0 335.388 4.146 50 0 EIAARN N#CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000004800538 210280095 /nfs/dbraw/zinc/28/00/95/210280095.db2.gz BFDVHBOAIHODPN-UHFFFAOYSA-N 0 0 334.400 4.030 50 0 EIAARN Cc1ccc(-c2nc(NCc3cccs3)n(C(=O)C(C)C)n2)cc1 ZINC000004777282 210275542 /nfs/dbraw/zinc/27/55/42/210275542.db2.gz IMSLVEKFOJSPDJ-UHFFFAOYSA-N 0 0 340.452 4.223 50 0 EIAARN CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)c3ccccc3)c12 ZINC000004745973 210268574 /nfs/dbraw/zinc/26/85/74/210268574.db2.gz ZCTITRLINOITLJ-CQSZACIVSA-N 0 0 336.387 4.314 50 0 EIAARN CCOc1ccc(NC(=O)N[C@@H](CC)c2cc(C)ccn2)c(F)c1 ZINC000097568992 219035569 /nfs/dbraw/zinc/03/55/69/219035569.db2.gz FLCSYJXMPWDMMY-HNNXBMFYSA-N 0 0 331.391 4.201 50 0 EIAARN Cc1ccnc(-c2ccc(NC(=O)N[C@@H](C)c3cccc(O)c3)cc2)n1 ZINC000115772613 220895975 /nfs/dbraw/zinc/89/59/75/220895975.db2.gz JJSHVOIDNHBBPY-AWEZNQCLSA-N 0 0 348.406 4.040 50 0 EIAARN Cc1nnc([C@H](C)Nc2ccc(OCc3cccc(F)c3)c(F)c2)o1 ZINC000079030594 257835411 /nfs/dbraw/zinc/83/54/11/257835411.db2.gz QDEJPWUCKWKSFK-NSHDSACASA-N 0 0 345.349 4.408 50 0 EIAARN O=C(Cc1ccc(F)cc1)NCc1ccccc1-c1ccsc1 ZINC000096122887 257848617 /nfs/dbraw/zinc/84/86/17/257848617.db2.gz LCEHNVQGOBSJKC-UHFFFAOYSA-N 0 0 325.408 4.413 50 0 EIAARN Cc1nnc([C@@H](C)Nc2cccc(COCCc3ccccc3)c2)o1 ZINC000079030016 257848819 /nfs/dbraw/zinc/84/88/19/257848819.db2.gz CCGLLASIIAPHNC-OAHLLOKOSA-N 0 0 337.423 4.310 50 0 EIAARN C[C@@H](Oc1ccccc1NCc1nnc2n1CCCC2)c1ccccc1 ZINC000278651285 257940106 /nfs/dbraw/zinc/94/01/06/257940106.db2.gz DHKCZMCPVDQTMJ-MRXNPFEDSA-N 0 0 348.450 4.367 50 0 EIAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCCC1)c1ccccc1 ZINC000000118906 258047634 /nfs/dbraw/zinc/04/76/34/258047634.db2.gz STIMAFHJVZTYAE-UHFFFAOYSA-N 0 0 348.398 4.324 50 0 EIAARN O=C(CSc1nccc(-c2ccco2)n1)Nc1ccccc1Cl ZINC000000172383 258047759 /nfs/dbraw/zinc/04/77/59/258047759.db2.gz KXSDWFFBJUDZKX-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN Cc1nnc(N(C)C(=O)CC(c2ccccc2)c2ccccc2)s1 ZINC000328596306 258042727 /nfs/dbraw/zinc/04/27/27/258042727.db2.gz FMFXBNSGHFVYRG-UHFFFAOYSA-N 0 0 337.448 4.032 50 0 EIAARN CCOc1ccccc1N1CCN(c2nccc3ccsc32)CC1 ZINC000328590348 258044304 /nfs/dbraw/zinc/04/43/04/258044304.db2.gz DHRQZRAMUNECGY-UHFFFAOYSA-N 0 0 339.464 4.022 50 0 EIAARN Oc1cc(Br)ccc1-c1ccnn1-c1ccc(F)cc1 ZINC000328578960 258017575 /nfs/dbraw/zinc/01/75/75/258017575.db2.gz BVNTZPDUTPYKDE-UHFFFAOYSA-N 0 0 333.160 4.147 50 0 EIAARN O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000000073915 258047269 /nfs/dbraw/zinc/04/72/69/258047269.db2.gz HCUDCAAJIKWFNQ-DHDCSXOGSA-N 0 0 347.201 4.086 50 0 EIAARN COc1ccc(/C=C/C(=O)N(Cc2ccccc2)C(C)C)cc1OC ZINC000000465675 258048524 /nfs/dbraw/zinc/04/85/24/258048524.db2.gz XHIBFJODIAVRPD-ACCUITESSA-N 0 0 339.435 4.154 50 0 EIAARN COc1ccc([C@@H](CC(=O)NCc2ccco2)c2ccccc2)cc1 ZINC000000465508 258048596 /nfs/dbraw/zinc/04/85/96/258048596.db2.gz ONNSTQBTSKTCDJ-FQEVSTJZSA-N 0 0 335.403 4.127 50 0 EIAARN CCC(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000000559496 258048719 /nfs/dbraw/zinc/04/87/19/258048719.db2.gz UZNGRFIOSJQLIX-UHFFFAOYSA-N 0 0 330.391 4.231 50 0 EIAARN COc1ccc(Br)cc1COC(=O)c1ccc(C)cc1 ZINC000002534524 258049797 /nfs/dbraw/zinc/04/97/97/258049797.db2.gz FVIMWJODVKKLOH-UHFFFAOYSA-N 0 0 335.197 4.123 50 0 EIAARN CCOc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000003352820 258050610 /nfs/dbraw/zinc/05/06/10/258050610.db2.gz YVNLRMFVYWBKMF-GFCCVEGCSA-N 0 0 348.830 4.186 50 0 EIAARN O=C(Nc1cccc(C(=O)Nc2ccccc2F)c1)c1cccs1 ZINC000007129371 258052678 /nfs/dbraw/zinc/05/26/78/258052678.db2.gz QTNDDWRPDSHEEC-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)c1ccccc1 ZINC000012876915 258055705 /nfs/dbraw/zinc/05/57/05/258055705.db2.gz ANOKZOSQCRVHEG-CYBMUJFWSA-N 0 0 337.398 4.119 50 0 EIAARN C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000017193730 258056755 /nfs/dbraw/zinc/05/67/55/258056755.db2.gz MOXNGQHQTURADE-AWEZNQCLSA-N 0 0 343.854 4.475 50 0 EIAARN COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1CC=CC[C@@H]12 ZINC000017118619 258056783 /nfs/dbraw/zinc/05/67/83/258056783.db2.gz CHFLANURWLKBDG-RJVLYZLMSA-N 0 0 344.065 4.230 50 0 EIAARN Cc1nc(NC(=O)c2cc(-n3cccc3)ccc2Cl)sc1C ZINC000031812867 258058340 /nfs/dbraw/zinc/05/83/40/258058340.db2.gz AYORJYGMUFANMV-UHFFFAOYSA-N 0 0 331.828 4.456 50 0 EIAARN O=C(c1ccc(N2CCCCC2=O)cc1)N1CCC[C@H]1c1ccccc1 ZINC000032883785 258058804 /nfs/dbraw/zinc/05/88/04/258058804.db2.gz BMLCTLNVSXFMFQ-FQEVSTJZSA-N 0 0 348.446 4.181 50 0 EIAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cnc3ccccc3n2)cc1 ZINC000039983296 258059483 /nfs/dbraw/zinc/05/94/83/258059483.db2.gz NJXYEACOEYTPIO-FQEVSTJZSA-N 0 0 347.418 4.006 50 0 EIAARN COc1ccc(-c2nn3c(nc(C)cc3NC3CCCC3)c2C)cc1 ZINC000040216864 258059791 /nfs/dbraw/zinc/05/97/91/258059791.db2.gz CWVOMXYAMAQGSR-UHFFFAOYSA-N 0 0 336.439 4.376 50 0 EIAARN CC(C)CNC(=O)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057853 258062477 /nfs/dbraw/zinc/06/24/77/258062477.db2.gz BBVLRNYSYAMWLR-UHFFFAOYSA-N 0 0 347.418 4.322 50 0 EIAARN CCC(CC)(CO)NC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000072313622 258065137 /nfs/dbraw/zinc/06/51/37/258065137.db2.gz JHGFITOLSLIXMK-UHFFFAOYSA-N 0 0 328.412 4.152 50 0 EIAARN Fc1cccc(Cl)c1[C@H]1CC(c2cccs2)=Nc2ncnn21 ZINC000102799944 258069490 /nfs/dbraw/zinc/06/94/90/258069490.db2.gz QTPBBQOORWXBEF-GFCCVEGCSA-N 0 0 332.791 4.188 50 0 EIAARN CCCC[C@H](NC(=O)C1(c2ccccc2F)CC1)c1cccnc1 ZINC000299757330 258075322 /nfs/dbraw/zinc/07/53/22/258075322.db2.gz LRZHKWSMXGYPLL-SFHVURJKSA-N 0 0 326.415 4.300 50 0 EIAARN COc1ccc2[nH]cc(C3CCN(C(=O)c4coc(C)c4)CC3)c2c1 ZINC000188755548 533235200 /nfs/dbraw/zinc/23/52/00/533235200.db2.gz HRWDNSBJBSVSLS-UHFFFAOYSA-N 0 0 338.407 4.098 50 0 EIAARN C[Si]1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21 ZINC000169818179 533593243 /nfs/dbraw/zinc/59/32/43/533593243.db2.gz HAISEXNNSIJVQF-UHFFFAOYSA-N 0 0 348.521 4.434 50 0 EIAARN CCCN(CC1CC1)C(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000051673602 132181750 /nfs/dbraw/zinc/18/17/50/132181750.db2.gz NNBWEBDJYGLLQQ-UHFFFAOYSA-N 0 0 347.528 4.202 50 0 EIAARN Clc1cncc(N2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000054551881 132192007 /nfs/dbraw/zinc/19/20/07/132192007.db2.gz MXCOBKQFULLXKV-UHFFFAOYSA-N 0 0 330.844 4.124 50 0 EIAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)o1 ZINC000054702737 132192490 /nfs/dbraw/zinc/19/24/90/132192490.db2.gz JPZMZJYLLAAYSP-QGZVFWFLSA-N 0 0 339.782 4.408 50 0 EIAARN CCOc1ccccc1N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000055292068 132194795 /nfs/dbraw/zinc/19/47/95/132194795.db2.gz SIIKWHLAVIDPFN-UHFFFAOYSA-N 0 0 348.849 4.200 50 0 EIAARN Fc1ccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000055543160 132195618 /nfs/dbraw/zinc/19/56/18/132195618.db2.gz VHSUZEDXXWMIDP-UHFFFAOYSA-N 0 0 339.241 4.455 50 0 EIAARN Cc1ccccc1N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000055543220 132195849 /nfs/dbraw/zinc/19/58/49/132195849.db2.gz AMKWZHHRNBGWPM-UHFFFAOYSA-N 0 0 334.385 4.336 50 0 EIAARN O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC000036621607 132392115 /nfs/dbraw/zinc/39/21/15/132392115.db2.gz UFTZZQKNQBGJOD-FQEVSTJZSA-N 0 0 335.403 4.161 50 0 EIAARN C[C@H]1C(=O)N(c2cccc3ccccc32)CCN1Cc1ccc(F)cc1 ZINC000037287842 132393993 /nfs/dbraw/zinc/39/39/93/132393993.db2.gz KKAOCKWQFQBJQA-INIZCTEOSA-N 0 0 348.421 4.216 50 0 EIAARN Cc1ccccc1CN1CCN(c2cccc3ccccc32)C(=O)[C@@H]1C ZINC000037521189 132394978 /nfs/dbraw/zinc/39/49/78/132394978.db2.gz PIHPNJIJGORSJL-SFHVURJKSA-N 0 0 344.458 4.386 50 0 EIAARN Cc1ccccc1CN1CCN(c2ccc(Cl)cc2C)C(=O)[C@H]1C ZINC000037520218 132395098 /nfs/dbraw/zinc/39/50/98/132395098.db2.gz VLESIRUNJSPMHC-MRXNPFEDSA-N 0 0 342.870 4.194 50 0 EIAARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C\c2cccnc2)C1=O ZINC000039486718 132415045 /nfs/dbraw/zinc/41/50/45/132415045.db2.gz QGGDEHSQXZOFTQ-CPNJWEJPSA-N 0 0 340.382 4.118 50 0 EIAARN Clc1ccccc1CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000059860055 132804557 /nfs/dbraw/zinc/80/45/57/132804557.db2.gz IKHUKLQDWXAECD-UHFFFAOYSA-N 0 0 325.843 4.144 50 0 EIAARN CC1=NN(c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)O1 ZINC000000482097 135651448 /nfs/dbraw/zinc/65/14/48/135651448.db2.gz QACIBGPHFOKLNP-UHFFFAOYSA-N 0 0 342.398 4.327 50 0 EIAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000000542024 135652284 /nfs/dbraw/zinc/65/22/84/135652284.db2.gz FCVWSQBLJNSMCF-NRFANRHFSA-N 0 0 326.403 4.485 50 0 EIAARN CC1CCN(c2nc3ccccc3c3nc(-c4ccccc4)nn32)CC1 ZINC000005055223 135669556 /nfs/dbraw/zinc/66/95/56/135669556.db2.gz DEUKDCMQHIFQLZ-UHFFFAOYSA-N 0 0 343.434 4.181 50 0 EIAARN COc1cc(NC(=O)N2C[C@H](C)Sc3ccccc32)cc(OC)c1 ZINC000006876962 135678192 /nfs/dbraw/zinc/67/81/92/135678192.db2.gz KLGQJZPQGWZRHY-LBPRGKRZSA-N 0 0 344.436 4.237 50 0 EIAARN CCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 ZINC000017289087 135712292 /nfs/dbraw/zinc/71/22/92/135712292.db2.gz NJUKWUJPKDIMHY-UHFFFAOYSA-N 0 0 346.789 4.031 50 0 EIAARN Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 ZINC000095626706 414746110 /nfs/dbraw/zinc/74/61/10/414746110.db2.gz DDLIGBOFAVUZHB-UHFFFAOYSA-N 0 0 325.774 4.324 50 0 fda EIAARN CCn1c(C(=O)N[C@@H]2CCCOc3ccccc32)cc2ccccc21 ZINC000170608393 226652038 /nfs/dbraw/zinc/65/20/38/226652038.db2.gz WDKRAZICDPSDEH-QGZVFWFLSA-N 0 0 334.419 4.305 50 0 EIAARN CO[C@@H](C(=O)Nc1cc(-c2nc(C)co2)ccc1C)c1ccccc1 ZINC000120819280 221683216 /nfs/dbraw/zinc/68/32/16/221683216.db2.gz OBRBXRICQHKINA-GOSISDBHSA-N 0 0 336.391 4.285 50 0 EIAARN O=C(Cc1ccccc1)c1ccccc1C(=O)NCc1cccs1 ZINC000000031598 262516980 /nfs/dbraw/zinc/51/69/80/262516980.db2.gz IADRVNGFKPLMPC-UHFFFAOYSA-N 0 0 335.428 4.104 50 0 EIAARN CSc1ncccc1C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000017525306 518175718 /nfs/dbraw/zinc/17/57/18/518175718.db2.gz HTXALPMXBBZIRS-LBPRGKRZSA-N 0 0 330.478 4.335 50 0 EIAARN CC(=O)c1cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cs1 ZINC000244795719 518276062 /nfs/dbraw/zinc/27/60/62/518276062.db2.gz RMIPWSLZHNWZRA-MRXNPFEDSA-N 0 0 335.856 4.178 50 0 EIAARN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCc2ccccc2)c1 ZINC000096407777 518989073 /nfs/dbraw/zinc/98/90/73/518989073.db2.gz NWQHIRLWNAWYSH-DEOSSOPVSA-N 0 0 344.480 4.056 50 0 EIAARN CC(C)(C)c1ccc(-c2nc3ccccc3c(N3CCOCC3)n2)cc1 ZINC000000071732 519009641 /nfs/dbraw/zinc/00/96/41/519009641.db2.gz GJKPANROBQAVFH-UHFFFAOYSA-N 0 0 347.462 4.431 50 0 EIAARN Oc1ccc(-c2csc(-c3cnn(-c4ccccc4)c3)n2)c(O)c1 ZINC000129556584 534447995 /nfs/dbraw/zinc/44/79/95/534447995.db2.gz VCCKPYRRLZJGOV-UHFFFAOYSA-N 0 0 335.388 4.074 50 0 EIAARN c1ccc(Cc2ccccc2NCc2noc(C3CCOCC3)n2)cc1 ZINC000153414238 534490839 /nfs/dbraw/zinc/49/08/39/534490839.db2.gz URBKUNZSTODMEG-UHFFFAOYSA-N 0 0 349.434 4.167 50 0 EIAARN CCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C ZINC000000031400 521168907 /nfs/dbraw/zinc/16/89/07/521168907.db2.gz DRQJSDYVORTCEY-FOIQADDNSA-N 0 0 336.435 4.316 50 0 EIAARN Cc1occc1SCc1nnc(-c2ccc(Br)o2)o1 ZINC000131427581 534586609 /nfs/dbraw/zinc/58/66/09/534586609.db2.gz ALCHEECTNJVVRQ-UHFFFAOYSA-N 0 0 341.186 4.286 50 0 EIAARN CC[C@@H](C)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000071909321 521925995 /nfs/dbraw/zinc/92/59/95/521925995.db2.gz HQHOZSKAEILDHA-CMJOXMDJSA-N 0 0 329.465 4.120 50 0 EIAARN Clc1ccc(-c2cc(CNc3cccc4c3OCCO4)on2)cc1 ZINC000178320644 534632429 /nfs/dbraw/zinc/63/24/29/534632429.db2.gz RHDDVLKKBUZVGL-UHFFFAOYSA-N 0 0 342.782 4.378 50 0 EIAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4O)[C@H]3CC[C@H]2C1 ZINC000253498111 534779164 /nfs/dbraw/zinc/77/91/64/534779164.db2.gz MENYRVLDWKVWLK-VOVZHTNUSA-N 0 0 334.500 4.322 50 0 EIAARN CC(=O)c1ccc(C(=O)N(Cc2ccsc2)c2cccnc2)cc1 ZINC000193513722 534826763 /nfs/dbraw/zinc/82/67/63/534826763.db2.gz UGVOACDOXLFBHH-UHFFFAOYSA-N 0 0 336.416 4.193 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2OC(F)F)o1 ZINC000010115089 525503361 /nfs/dbraw/zinc/50/33/61/525503361.db2.gz FCSVQMZXZJTPCU-DERGHVRDSA-N 0 0 347.361 4.334 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025535116 526037019 /nfs/dbraw/zinc/03/70/19/526037019.db2.gz QZUZJBNCRISVOC-IBGZPJMESA-N 0 0 339.410 4.461 50 0 EIAARN O=C(CCSCc1ccccc1)N1CCC(c2ccncc2)CC1 ZINC000244795974 526537974 /nfs/dbraw/zinc/53/79/74/526537974.db2.gz RQQNPPBLOYDFCX-UHFFFAOYSA-N 0 0 340.492 4.111 50 0 EIAARN O=C(CCc1nc2ccccc2s1)NCc1ccccc1Cl ZINC000008034551 526655340 /nfs/dbraw/zinc/65/53/40/526655340.db2.gz QMELTAHALHDINN-UHFFFAOYSA-N 0 0 330.840 4.199 50 0 EIAARN CCOCc1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000155062541 529072157 /nfs/dbraw/zinc/07/21/57/529072157.db2.gz LFPXDVOITPSSQP-UHFFFAOYSA-N 0 0 349.434 4.278 50 0 EIAARN CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000170634741 529259415 /nfs/dbraw/zinc/25/94/15/529259415.db2.gz WOCMFSRCJSFXDE-IBGZPJMESA-N 0 0 334.423 4.487 50 0 EIAARN CCOc1ccc([C@@H](CC)NC(=O)c2ccc(COC)s2)cc1 ZINC000215511863 535414896 /nfs/dbraw/zinc/41/48/96/535414896.db2.gz IKJNIXYSHPUXNN-MRXNPFEDSA-N 0 0 333.453 4.174 50 0 EIAARN CCn1cc(CN(C)C(=O)c2cc(C(C)C)cc(C(C)C)c2O)cn1 ZINC000219316511 536044970 /nfs/dbraw/zinc/04/49/70/536044970.db2.gz YSKRUSGMRYXTFP-UHFFFAOYSA-N 0 0 343.471 4.128 50 0 EIAARN COc1ccc(-c2nn3c(nc(C)cc3N3CCCCC3)c2C)cc1 ZINC000040216826 536528144 /nfs/dbraw/zinc/52/81/44/536528144.db2.gz AGVKXQBMEAQGBW-UHFFFAOYSA-N 0 0 336.439 4.012 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000036712403 536969735 /nfs/dbraw/zinc/96/97/35/536969735.db2.gz JYIDCVPKKSTSDL-ZDUSSCGKSA-N 0 0 341.476 4.475 50 0 EIAARN O=C(c1ccccc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000071910098 563576213 /nfs/dbraw/zinc/57/62/13/563576213.db2.gz TYOZITRNNMICPO-UHFFFAOYSA-N 0 0 345.670 4.297 50 0 EIAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000017986961 563846939 /nfs/dbraw/zinc/84/69/39/563846939.db2.gz KMLOBSGHLLHBMB-NXEZZACHSA-N 0 0 331.721 4.038 50 0 EIAARN O=C(COC(=O)C1CCCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000000131957 563986964 /nfs/dbraw/zinc/98/69/64/563986964.db2.gz OLRDMBFJTRGPOP-UHFFFAOYSA-N 0 0 330.211 4.055 50 0 EIAARN CCOc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1 ZINC000000289753 563990209 /nfs/dbraw/zinc/99/02/09/563990209.db2.gz PRYVIWRLMWEWIA-UHFFFAOYSA-N 0 0 329.252 4.495 50 0 EIAARN O=C(Nc1cccc2ncccc21)c1cccc(Br)c1 ZINC000000521826 564012572 /nfs/dbraw/zinc/01/25/72/564012572.db2.gz TYVLSBCFFLRBAH-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1 ZINC000000451088 564012613 /nfs/dbraw/zinc/01/26/13/564012613.db2.gz GBAFKCXRHOQEBZ-GFCCVEGCSA-N 0 0 348.240 4.339 50 0 EIAARN COc1ccc(Br)cc1NC(=O)c1ccc(C)cc1C ZINC000048444672 564031845 /nfs/dbraw/zinc/03/18/45/564031845.db2.gz PQPILHNWQNWFNP-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN COc1ccccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000000290265 563273411 /nfs/dbraw/zinc/27/34/11/563273411.db2.gz LHHCNRHXTIQIMJ-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN Cc1nc(NC(=O)c2cc3ccccc3o2)ccc1Br ZINC000000359975 563292814 /nfs/dbraw/zinc/29/28/14/563292814.db2.gz MSDYLFDCWGCQAT-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN O=C(CSc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000000452424 563321364 /nfs/dbraw/zinc/32/13/64/563321364.db2.gz LSSFCLYDSVBZCR-UHFFFAOYSA-N 0 0 326.248 4.402 50 0 EIAARN O=C(Nc1c(Cl)cccc1Cl)[C@H]1CC(=O)OC12CCCCC2 ZINC000000033731 563211773 /nfs/dbraw/zinc/21/17/73/563211773.db2.gz ZZDDBBZBNGACOV-SNVBAGLBSA-N 0 0 342.222 4.198 50 0 biogenic EIAARN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(F)cc1 ZINC000000032757 563211786 /nfs/dbraw/zinc/21/17/86/563211786.db2.gz PHZPENDOJDYGKP-UHFFFAOYSA-N 0 0 340.398 4.094 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1C ZINC000000038554 563212291 /nfs/dbraw/zinc/21/22/91/563212291.db2.gz QKEJELIEIPMFCW-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000000041802 563212699 /nfs/dbraw/zinc/21/26/99/563212699.db2.gz NHXIMULHIUYNEF-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000073488 563216191 /nfs/dbraw/zinc/21/61/91/563216191.db2.gz BEHVFWRCBDFHBE-UHFFFAOYSA-N 0 0 339.174 4.389 50 0 EIAARN Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000074649 563216568 /nfs/dbraw/zinc/21/65/68/563216568.db2.gz WCWGFXAQYDSPID-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN Cc1sc2ncnc(SCc3ccc4c(c3)OCO4)c2c1C ZINC000000091561 563222481 /nfs/dbraw/zinc/22/24/81/563222481.db2.gz XBZFCMUPRFPGCB-UHFFFAOYSA-N 0 0 330.434 4.329 50 0 EIAARN Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc2ccccc12 ZINC000000102482 563226309 /nfs/dbraw/zinc/22/63/09/563226309.db2.gz QMYBNTGTTISPGY-UHFFFAOYSA-N 0 0 326.396 4.413 50 0 EIAARN CCOc1ccc(N[C@@]23SCC(=O)[C@H]2CCc2ccccc23)cc1 ZINC000000104995 563227194 /nfs/dbraw/zinc/22/71/94/563227194.db2.gz ZMLVZLBLPPGPPA-QUCCMNQESA-N 0 0 339.460 4.229 50 0 EIAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(F)c1 ZINC000000105915 563227688 /nfs/dbraw/zinc/22/76/88/563227688.db2.gz VRDCEUVVLRMVGA-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN COc1ccc([C@H]2c3ccsc3CCN2C(=O)NC(C)(C)C)cc1 ZINC000000112814 563230512 /nfs/dbraw/zinc/23/05/12/563230512.db2.gz GPZLXETWYWTFIY-KRWDZBQOSA-N 0 0 344.480 4.212 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1cccc(C)c1)C[C@@H](C)CC2 ZINC000000118429 563233402 /nfs/dbraw/zinc/23/34/02/563233402.db2.gz VNUGIQBEUNAZPX-LBPRGKRZSA-N 0 0 343.448 4.220 50 0 EIAARN Cc1cc(C(F)(F)F)nc2c(Br)c(C(C)(C)C)nn21 ZINC000000124707 563236093 /nfs/dbraw/zinc/23/60/93/563236093.db2.gz HTAWVBZVCTUZDI-UHFFFAOYSA-N 0 0 336.155 4.117 50 0 EIAARN Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2cccnc2)c1 ZINC000000128413 563237616 /nfs/dbraw/zinc/23/76/16/563237616.db2.gz VPFCGZKMMCFPIM-UHFFFAOYSA-N 0 0 348.450 4.185 50 0 EIAARN Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000000130157 563238046 /nfs/dbraw/zinc/23/80/46/563238046.db2.gz JEAJQHPJGJWODN-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN O=C(COc1ccccc1Br)Nc1cccc(Cl)c1 ZINC000000141212 563242230 /nfs/dbraw/zinc/24/22/30/563242230.db2.gz BBWPJWLRUJTXJW-UHFFFAOYSA-N 0 0 340.604 4.120 50 0 EIAARN O=C(O[C@H]1CCSC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000142077 563242626 /nfs/dbraw/zinc/24/26/26/563242626.db2.gz LAZVDVUUUPPLPG-JTQLQIEISA-N 0 0 344.276 4.387 50 0 EIAARN Cn1nc(C(F)(F)F)c(C=O)c1SCc1ccc(Cl)cc1 ZINC000000168548 563249945 /nfs/dbraw/zinc/24/99/45/563249945.db2.gz VQFJCAGUPWZIKZ-UHFFFAOYSA-N 0 0 334.750 4.197 50 0 EIAARN O=C(N/C=C/c1cccs1)NCc1ccc(C(F)(F)F)cc1 ZINC000000171759 563251634 /nfs/dbraw/zinc/25/16/34/563251634.db2.gz QJVNVLCSKICFTL-BQYQJAHWSA-N 0 0 326.343 4.237 50 0 EIAARN Nc1nccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n1 ZINC000000172562 563252021 /nfs/dbraw/zinc/25/20/21/563252021.db2.gz XEPONOORCIXARG-UHFFFAOYSA-N 0 0 339.786 4.023 50 0 EIAARN CCOC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000000190881 563256689 /nfs/dbraw/zinc/25/66/89/563256689.db2.gz DWBJTMILCRPGBU-UHFFFAOYSA-N 0 0 338.407 4.036 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)CCCC2 ZINC000000199455 563258362 /nfs/dbraw/zinc/25/83/62/563258362.db2.gz RQJLDSHSQPYIBG-UHFFFAOYSA-N 0 0 339.420 4.238 50 0 EIAARN COc1ccc2c(c1)-c1nc(NC(=O)c3cccs3)sc1CC2 ZINC000000200005 563258658 /nfs/dbraw/zinc/25/86/58/563258658.db2.gz HCEJYOCZRGKHPM-UHFFFAOYSA-N 0 0 342.445 4.231 50 0 aggregator EIAARN Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1 ZINC000000200231 563258683 /nfs/dbraw/zinc/25/86/83/563258683.db2.gz LBIMSJOKVRGNBH-CMDGGOBGSA-N 0 0 342.395 4.426 50 0 EIAARN Cc1ccc(C(=O)c2sc3nc(-c4cccnc4)ccc3c2N)cc1 ZINC000000207230 563260124 /nfs/dbraw/zinc/26/01/24/563260124.db2.gz DIRYCBCXYKXNCT-UHFFFAOYSA-N 0 0 345.427 4.480 50 0 EIAARN CCc1nc2ccccc2c(NC(=O)CN(C)Cc2ccccc2)c1C ZINC000000207585 563260127 /nfs/dbraw/zinc/26/01/27/563260127.db2.gz OGYSSDCROMUZNG-UHFFFAOYSA-N 0 0 347.462 4.176 50 0 EIAARN COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000000210742 563260811 /nfs/dbraw/zinc/26/08/11/563260811.db2.gz NWSKMHOHFISWIT-UHFFFAOYSA-N 0 0 347.414 4.474 50 0 EIAARN O=C(NCc1cccnc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000217348 563262277 /nfs/dbraw/zinc/26/22/77/563262277.db2.gz ICMFMTLDCBBXNA-UHFFFAOYSA-N 0 0 339.398 4.227 50 0 EIAARN O=C(Cc1ccccc1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000000272057 563270042 /nfs/dbraw/zinc/27/00/42/563270042.db2.gz YMJGMSSNYYNXEL-UHFFFAOYSA-N 0 0 326.396 4.054 50 0 EIAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000302224 563276016 /nfs/dbraw/zinc/27/60/16/563276016.db2.gz GNVMZKDWEZYNCI-JTQLQIEISA-N 0 0 340.206 4.408 50 0 EIAARN O=c1oc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12 ZINC000000303035 563276376 /nfs/dbraw/zinc/27/63/76/563276376.db2.gz XFDDHIVWAHQWCN-UHFFFAOYSA-N 0 0 336.572 4.271 50 0 EIAARN COc1cc(SC)ccc1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000000303566 563276786 /nfs/dbraw/zinc/27/67/86/563276786.db2.gz QZCXXCJYWDPQDQ-AWEZNQCLSA-N 0 0 329.465 4.168 50 0 EIAARN O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccccc1 ZINC000000305841 563277832 /nfs/dbraw/zinc/27/78/32/563277832.db2.gz BIWPHWAMZSFSGM-UHFFFAOYSA-N 0 0 340.762 4.154 50 0 EIAARN Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1C ZINC000000311023 563280981 /nfs/dbraw/zinc/28/09/81/563280981.db2.gz UTSFTSMNESGOSH-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN O=C1CCC(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000000312825 563281766 /nfs/dbraw/zinc/28/17/66/563281766.db2.gz HARQLJUDOAAGGP-UHFFFAOYSA-N 0 0 336.174 4.439 50 0 EIAARN Cc1c(OC(=O)c2cccs2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000000316555 563282942 /nfs/dbraw/zinc/28/29/42/563282942.db2.gz FERMBOISUMTLDM-UHFFFAOYSA-N 0 0 340.400 4.261 50 0 EIAARN COc1ccc(Cc2nnc(SCc3ccc(C)cc3)o2)cc1 ZINC000000316710 563282956 /nfs/dbraw/zinc/28/29/56/563282956.db2.gz KNWOKZNTFCSKRP-UHFFFAOYSA-N 0 0 326.421 4.270 50 0 EIAARN COc1cccc2cc(CC(=O)c3ccc(C(C)C)cc3)c(=O)oc21 ZINC000000318111 563283665 /nfs/dbraw/zinc/28/36/65/563283665.db2.gz HQAFDBCSSUPMQN-UHFFFAOYSA-N 0 0 336.387 4.350 50 0 EIAARN Cc1cc(C)n(-c2cc(C)nc(-c3ccc(Br)cc3)n2)n1 ZINC000000324616 563284243 /nfs/dbraw/zinc/28/42/43/563284243.db2.gz RAUZSMLARYGBKF-UHFFFAOYSA-N 0 0 343.228 4.017 50 0 EIAARN O=C(Cn1c(-c2ccccc2)nnc1-c1ccccc1)c1ccccc1 ZINC000000336631 563285605 /nfs/dbraw/zinc/28/56/05/563285605.db2.gz BEYKUOWFXNEYCZ-UHFFFAOYSA-N 0 0 339.398 4.495 50 0 EIAARN Cc1ccccc1C(=O)NC(=S)Nc1ccccc1C(F)(F)F ZINC000000342113 563286936 /nfs/dbraw/zinc/28/69/36/563286936.db2.gz UVLMPIQMLOTXAL-UHFFFAOYSA-N 0 0 338.354 4.141 50 0 EIAARN Cc1ccc(C(=O)Oc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000000363046 563294365 /nfs/dbraw/zinc/29/43/65/563294365.db2.gz KKPMMNYJMLVWMT-UHFFFAOYSA-N 0 0 331.371 4.467 50 0 EIAARN COC(=O)c1ccccc1OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000000364001 563295059 /nfs/dbraw/zinc/29/50/59/563295059.db2.gz JSLDFKUIJRNGOL-HNNXBMFYSA-N 0 0 340.419 4.381 50 0 EIAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c(C)c1 ZINC000000368149 563297282 /nfs/dbraw/zinc/29/72/82/563297282.db2.gz LQHLWORFDKTADP-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN COc1cccc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)c1 ZINC000000383162 563300626 /nfs/dbraw/zinc/30/06/26/563300626.db2.gz YEVRWIZADLOYFY-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN COc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000384131 563301000 /nfs/dbraw/zinc/30/10/00/563301000.db2.gz IYFFRHUOOJIBNK-OAQYLSRUSA-N 0 0 346.382 4.476 50 0 EIAARN Cc1cc(C)cc(-c2nnc3sc(Cc4ccc(F)cc4)nn32)c1 ZINC000000385139 563301503 /nfs/dbraw/zinc/30/15/03/563301503.db2.gz ZMNCFJLKIZKFLK-UHFFFAOYSA-N 0 0 338.411 4.200 50 0 EIAARN C[C@H](Oc1ccc(F)cc1)c1nn2c(nnc2-c2ccccc2)s1 ZINC000000385334 563301940 /nfs/dbraw/zinc/30/19/40/563301940.db2.gz RICFPBBQPZDAAI-NSHDSACASA-N 0 0 340.383 4.132 50 0 EIAARN Cc1c(C(=O)N(C)c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000000385361 563301983 /nfs/dbraw/zinc/30/19/83/563301983.db2.gz CVHARIKFYSCRKB-UHFFFAOYSA-N 0 0 325.799 4.111 50 0 EIAARN O=C(CSc1nnc(-c2ccc(O)cc2)o1)c1ccc(Cl)cc1 ZINC000000411386 563308052 /nfs/dbraw/zinc/30/80/52/563308052.db2.gz MDWMPVICWQMGMO-UHFFFAOYSA-N 0 0 346.795 4.071 50 0 EIAARN Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1 ZINC000000422561 563309123 /nfs/dbraw/zinc/30/91/23/563309123.db2.gz IBURFUFGYSAUTM-UHFFFAOYSA-N 0 0 338.480 4.467 50 0 EIAARN COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)c1 ZINC000000423687 563309386 /nfs/dbraw/zinc/30/93/86/563309386.db2.gz LJAMWFFEEBMQCA-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3SC)no2)cc1 ZINC000000423656 563309405 /nfs/dbraw/zinc/30/94/05/563309405.db2.gz PXOHMOLQZKWEFV-UHFFFAOYSA-N 0 0 340.404 4.324 50 0 EIAARN Cc1ccccc1-c1cc(C(=O)Nc2nncs2)c2ccccc2n1 ZINC000000433647 563311875 /nfs/dbraw/zinc/31/18/75/563311875.db2.gz YIOJVXBKLKWJSH-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN CC1=N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)O1 ZINC000000434782 563312591 /nfs/dbraw/zinc/31/25/91/563312591.db2.gz BDBYJNSHUKCJGF-LICLKQGHSA-N 0 0 327.767 4.235 50 0 EIAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc2ccccc2c1 ZINC000000442908 563314829 /nfs/dbraw/zinc/31/48/29/563314829.db2.gz ZTWKSKBMERGUEQ-JLHYYAGUSA-N 0 0 332.428 4.366 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)c2cccc(OCC)c2)c1 ZINC000000444344 563316031 /nfs/dbraw/zinc/31/60/31/563316031.db2.gz HXJONYBVNVORGF-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN CCCC(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000000447484 563317725 /nfs/dbraw/zinc/31/77/25/563317725.db2.gz ICGRAWTVAYLNAE-UHFFFAOYSA-N 0 0 328.803 4.121 50 0 EIAARN COc1c(Cl)cc(C(=O)Nc2cccc(C(C)=O)c2)cc1Cl ZINC000000450704 563319794 /nfs/dbraw/zinc/31/97/94/563319794.db2.gz ZINSQRGTUWTBKA-UHFFFAOYSA-N 0 0 338.190 4.457 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000452297 563320963 /nfs/dbraw/zinc/32/09/63/563320963.db2.gz ARLASTAXDPTIFO-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000000456764 563324570 /nfs/dbraw/zinc/32/45/70/563324570.db2.gz PKRQGNNLTBGPEN-UHFFFAOYSA-N 0 0 342.464 4.125 50 0 EIAARN COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000000457289 563324871 /nfs/dbraw/zinc/32/48/71/563324871.db2.gz JBJCACOSDDMLRN-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccco1 ZINC000000458033 563325307 /nfs/dbraw/zinc/32/53/07/563325307.db2.gz XKLGHOWMOUEWHG-UHFFFAOYSA-N 0 0 346.795 4.499 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1 ZINC000000461245 563326617 /nfs/dbraw/zinc/32/66/17/563326617.db2.gz HANOBIHSLKCFGR-KRWDZBQOSA-N 0 0 333.431 4.356 50 0 EIAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3s2)cc1 ZINC000000467993 563329441 /nfs/dbraw/zinc/32/94/41/563329441.db2.gz POVBEAWAZAZMLG-UHFFFAOYSA-N 0 0 328.462 4.013 50 0 EIAARN CCOc1ccc(OCc2ccc(C(=O)N3CCC(C)CC3)o2)cc1 ZINC000000468406 563329634 /nfs/dbraw/zinc/32/96/34/563329634.db2.gz BFQYFMATBVTFHP-UHFFFAOYSA-N 0 0 343.423 4.129 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(Br)cc1 ZINC000000470940 563331362 /nfs/dbraw/zinc/33/13/62/563331362.db2.gz XDXOOKATNDGUSI-SMDDNHRTSA-N 0 0 342.302 4.236 50 0 EIAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCO2 ZINC000000476205 563334375 /nfs/dbraw/zinc/33/43/75/563334375.db2.gz BEYISCHWJGKFML-UHFFFAOYSA-N 0 0 339.178 4.409 50 0 EIAARN COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl ZINC000000479890 563336131 /nfs/dbraw/zinc/33/61/31/563336131.db2.gz CPWCFFCSYBULII-UHFFFAOYSA-N 0 0 346.235 4.111 50 0 EIAARN CCC(=O)Nc1ccccc1C(=O)OCc1c(F)cccc1Cl ZINC000000482508 563337118 /nfs/dbraw/zinc/33/71/18/563337118.db2.gz YPVAIDDUESXKLB-UHFFFAOYSA-N 0 0 335.762 4.185 50 0 EIAARN CCc1c(C)sc(NC(=O)c2ccoc2C)c1C(=O)OC(C)C ZINC000000483767 563337759 /nfs/dbraw/zinc/33/77/59/563337759.db2.gz SOXRPDHXPGUIEH-UHFFFAOYSA-N 0 0 335.425 4.338 50 0 EIAARN COc1ccccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000000502460 563339016 /nfs/dbraw/zinc/33/90/16/563339016.db2.gz PGNHQFVCQJTROY-UHFFFAOYSA-N 0 0 343.386 4.262 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2c(OC)cccc2OC)c(C)c1 ZINC000000568403 563348337 /nfs/dbraw/zinc/34/83/37/563348337.db2.gz IOSQXLYJVCYDKV-UHFFFAOYSA-N 0 0 342.439 4.111 50 0 EIAARN COc1cccc(OC)c1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000000578867 563350982 /nfs/dbraw/zinc/35/09/82/563350982.db2.gz BMLRTFXQKZQZPB-UHFFFAOYSA-N 0 0 333.387 4.208 50 0 EIAARN Cc1cccc([C@@H](CC(=O)NCc2ccco2)c2ccccc2)c1O ZINC000000608539 563352181 /nfs/dbraw/zinc/35/21/81/563352181.db2.gz IFXWCNYAOBEMBK-IBGZPJMESA-N 0 0 335.403 4.132 50 0 EIAARN CCN(CC)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1 ZINC000000609734 563353019 /nfs/dbraw/zinc/35/30/19/563353019.db2.gz RCAVEKOLEPBWGD-UHFFFAOYSA-N 0 0 331.460 4.159 50 0 EIAARN O=C(CSc1nnc(-c2ccncc2)o1)c1ccc2ccccc2c1 ZINC000000611524 563354331 /nfs/dbraw/zinc/35/43/31/563354331.db2.gz VSBKMBOVDREWNH-UHFFFAOYSA-N 0 0 347.399 4.260 50 0 EIAARN O=C(CSc1nnc(-c2cccnc2)o1)c1ccc2ccccc2c1 ZINC000000611274 563354347 /nfs/dbraw/zinc/35/43/47/563354347.db2.gz VEUWXTUACAMHLF-UHFFFAOYSA-N 0 0 347.399 4.260 50 0 EIAARN Cc1nn(C)c(C)c1CN(C)C(=S)Nc1cccc2ccccc21 ZINC000000611878 563354738 /nfs/dbraw/zinc/35/47/38/563354738.db2.gz CPJFEJUIIZSNEA-UHFFFAOYSA-N 0 0 338.480 4.019 50 0 EIAARN CCC(=O)n1nc(-c2ccccc2)nc1NCc1ccccc1Cl ZINC000000612194 563355368 /nfs/dbraw/zinc/35/53/68/563355368.db2.gz KJKCXXORWASOSB-UHFFFAOYSA-N 0 0 340.814 4.261 50 0 EIAARN CC(C)OC(=O)c1ccc(COC(=O)c2ccccc2Cl)cc1 ZINC000000618335 563360281 /nfs/dbraw/zinc/36/02/81/563360281.db2.gz QMFFSMUCXQEOHU-UHFFFAOYSA-N 0 0 332.783 4.262 50 0 EIAARN NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000000619102 563360693 /nfs/dbraw/zinc/36/06/93/563360693.db2.gz SGTRJXDYXWTPDF-UHFFFAOYSA-N 0 0 339.398 4.305 50 0 EIAARN COc1ccc(C2(CNC(=O)C3CCCCC3)CCCC2)cc1OC ZINC000000618698 563360735 /nfs/dbraw/zinc/36/07/35/563360735.db2.gz CHKDDGOTIOPAFG-UHFFFAOYSA-N 0 0 345.483 4.212 50 0 EIAARN O=C(Cc1cccs1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000000621196 563362088 /nfs/dbraw/zinc/36/20/88/563362088.db2.gz BMNRSASWRDKYSN-UHFFFAOYSA-N 0 0 342.445 4.243 50 0 EIAARN Cc1ccc(O)c(NC(=O)c2cc(-c3ccccc3Cl)on2)c1 ZINC000000815153 563364199 /nfs/dbraw/zinc/36/41/99/563364199.db2.gz MOGPCFGJLJCFNU-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN COc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1 ZINC000000859620 563365194 /nfs/dbraw/zinc/36/51/94/563365194.db2.gz SJGBTEZXJDXVTM-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN C[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000000969864 563366677 /nfs/dbraw/zinc/36/66/77/563366677.db2.gz CYXHKFCPUQJJSD-BDJLRTHQSA-N 0 0 343.224 4.339 50 0 EIAARN Cc1ccc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 ZINC000001016976 563368658 /nfs/dbraw/zinc/36/86/58/563368658.db2.gz HMPVQTKZHWAUIJ-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN Cc1cccc(-c2nnc3sc(Cc4ccccc4Cl)nn32)c1 ZINC000001018255 563368970 /nfs/dbraw/zinc/36/89/70/563368970.db2.gz KTUQWMNUHJDCBQ-UHFFFAOYSA-N 0 0 340.839 4.405 50 0 EIAARN C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccncc1 ZINC000001054580 563370862 /nfs/dbraw/zinc/37/08/62/563370862.db2.gz BJAUMUDTXQRDLB-CQSZACIVSA-N 0 0 330.387 4.197 50 0 EIAARN CC[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccccc1 ZINC000001055381 563371110 /nfs/dbraw/zinc/37/11/10/563371110.db2.gz KJGZOPVDFGKVBO-MRXNPFEDSA-N 0 0 341.794 4.328 50 0 EIAARN O=C(Nc1ccc(C(=O)OCc2ccccc2F)cc1)c1ccccc1 ZINC000001075035 563373586 /nfs/dbraw/zinc/37/35/86/563373586.db2.gz UJKXHBRSBWISJV-UHFFFAOYSA-N 0 0 349.361 4.435 50 0 EIAARN O=C(OCc1ccccc1F)c1ccc2c(c1)-c1ccccc1C2=O ZINC000001075186 563373590 /nfs/dbraw/zinc/37/35/90/563373590.db2.gz QAKLIUVNZBVXFI-UHFFFAOYSA-N 0 0 332.330 4.394 50 0 EIAARN O=C(NCCc1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000001186871 563378122 /nfs/dbraw/zinc/37/81/22/563378122.db2.gz PRWAORINXOOJTM-JOCHJYFZSA-N 0 0 341.454 4.352 50 0 EIAARN Cc1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000001187378 563378169 /nfs/dbraw/zinc/37/81/69/563378169.db2.gz HFXJUIQCMSJOOL-AWEZNQCLSA-N 0 0 332.812 4.286 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000001207959 563379093 /nfs/dbraw/zinc/37/90/93/563379093.db2.gz AMPJLEPJMJVDFK-UHFFFAOYSA-N 0 0 346.365 4.120 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000001207559 563379104 /nfs/dbraw/zinc/37/91/04/563379104.db2.gz VOQKEGQDQUGDQP-UHFFFAOYSA-N 0 0 347.798 4.168 50 0 EIAARN Cc1cccc(N2C(=O)S[C@H](Nc3ccc(C)cc3C)C2=O)c1 ZINC000001232459 563380592 /nfs/dbraw/zinc/38/05/92/563380592.db2.gz XEEOMZRAXDQLRZ-INIZCTEOSA-N 0 0 326.421 4.250 50 0 EIAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccco1 ZINC000001414007 563388231 /nfs/dbraw/zinc/38/82/31/563388231.db2.gz ZHHUXZBFVUOAFA-UHFFFAOYSA-N 0 0 334.331 4.349 50 0 EIAARN CC(=O)c1c(C)nc(C)nc1SCc1csc(-c2ccoc2)n1 ZINC000071888023 563390343 /nfs/dbraw/zinc/39/03/43/563390343.db2.gz UVOOVEPJGQJRCE-UHFFFAOYSA-N 0 0 345.449 4.305 50 0 EIAARN COc1ccc(NC(=O)CCCOc2cc(C)ccc2C)c(OC)c1 ZINC000001779256 563411529 /nfs/dbraw/zinc/41/15/29/563411529.db2.gz NJJBAEBEBOMKTO-UHFFFAOYSA-N 0 0 343.423 4.118 50 0 EIAARN CCCOc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 ZINC000001903577 563415888 /nfs/dbraw/zinc/41/58/88/563415888.db2.gz AFMDNVLEQOEIBB-UHFFFAOYSA-N 0 0 328.393 4.444 50 0 EIAARN CCCOc1ccccc1/C=C1\N=C(c2cccc(Cl)c2)OC1=O ZINC000002081108 563421872 /nfs/dbraw/zinc/42/18/72/563421872.db2.gz IKIORWLJNKYONI-VBKFSLOCSA-N 0 0 341.794 4.473 50 0 EIAARN Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1 ZINC000002244332 563427610 /nfs/dbraw/zinc/42/76/10/563427610.db2.gz SNICMGDUOVKOPQ-UHFFFAOYSA-N 0 0 328.362 4.427 50 0 EIAARN O[C@@H](Cn1cnc2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000002289045 563428816 /nfs/dbraw/zinc/42/88/16/563428816.db2.gz XLVGAHBIKRURIJ-INIZCTEOSA-N 0 0 341.414 4.205 50 0 EIAARN CCOc1ccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)cc1 ZINC000002353883 563430187 /nfs/dbraw/zinc/43/01/87/563430187.db2.gz MIVKQNKSKPLJBH-UHFFFAOYSA-N 0 0 347.378 4.009 50 0 EIAARN CC(=O)[C@H](C)Sc1cc(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000002416118 563432033 /nfs/dbraw/zinc/43/20/33/563432033.db2.gz GFPYOOGWRDKZHA-AWEZNQCLSA-N 0 0 325.437 4.083 50 0 EIAARN Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000002469421 563433187 /nfs/dbraw/zinc/43/31/87/563433187.db2.gz XOVSCQKRPUJKGX-ZDUSSCGKSA-N 0 0 345.826 4.454 50 0 EIAARN Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000002499290 563434480 /nfs/dbraw/zinc/43/44/80/563434480.db2.gz IRSGSBXHXAXJBZ-LBPRGKRZSA-N 0 0 343.448 4.397 50 0 EIAARN O=C(c1ccc(CN2CCC2)cc1)c1ccc(Br)c(F)c1 ZINC000002514626 563435557 /nfs/dbraw/zinc/43/55/57/563435557.db2.gz BIVBJYQDJXFMQW-UHFFFAOYSA-N 0 0 348.215 4.025 50 0 EIAARN O=C(c1ccc(CN2CCC2)cc1)c1ccc(Br)cc1F ZINC000002514634 563435629 /nfs/dbraw/zinc/43/56/29/563435629.db2.gz ASZOOZGJODBPIV-UHFFFAOYSA-N 0 0 348.215 4.025 50 0 EIAARN O=C(c1cccc(CN2CC=CC2)c1)c1cccc(C(F)(F)F)c1 ZINC000002515409 563436675 /nfs/dbraw/zinc/43/66/75/563436675.db2.gz JHVPCGANNSHSJJ-UHFFFAOYSA-N 0 0 331.337 4.308 50 0 EIAARN Cc1cccc(-c2cc(N)n(-c3ccc(Br)cc3)n2)c1 ZINC000002532576 563439822 /nfs/dbraw/zinc/43/98/22/563439822.db2.gz DHPWHKVMKVCEIB-UHFFFAOYSA-N 0 0 328.213 4.192 50 0 EIAARN CCCOc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000002586410 563443634 /nfs/dbraw/zinc/44/36/34/563443634.db2.gz FZMBTDUEEZLVOI-UHFFFAOYSA-N 0 0 340.375 4.266 50 0 biogenic EIAARN CCCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000002601792 563444422 /nfs/dbraw/zinc/44/44/22/563444422.db2.gz VXTQDVWNQYUZHJ-UHFFFAOYSA-N 0 0 329.488 4.321 50 0 EIAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccco1 ZINC000002767973 563450126 /nfs/dbraw/zinc/45/01/26/563450126.db2.gz SDOJFDDGOUNMID-UHFFFAOYSA-N 0 0 341.388 4.355 50 0 EIAARN CCCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1OC ZINC000002821324 563452981 /nfs/dbraw/zinc/45/29/81/563452981.db2.gz LSZYWPOXEPSCIF-UHFFFAOYSA-N 0 0 340.423 4.005 50 0 EIAARN Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1C ZINC000002836245 563453949 /nfs/dbraw/zinc/45/39/49/563453949.db2.gz SQQOQUDBJWIKRL-UHFFFAOYSA-N 0 0 328.393 4.184 50 0 EIAARN Cc1cc(OCCCCn2cnc3ccccc3c2=O)ccc1Cl ZINC000002862984 563457507 /nfs/dbraw/zinc/45/75/07/563457507.db2.gz OMMHGNWJKJQAOS-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN Cc1cccc2sc(NC(=O)CCCOc3ccccc3)nc21 ZINC000002865491 563458066 /nfs/dbraw/zinc/45/80/66/563458066.db2.gz NEIOVRZWFRNILV-UHFFFAOYSA-N 0 0 326.421 4.402 50 0 EIAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(C)c(C)c3)Nc3ncnn32)cc1 ZINC000002870741 563459019 /nfs/dbraw/zinc/45/90/19/563459019.db2.gz KMNZVUHMUWNSPV-UXHICEINSA-N 0 0 348.450 4.440 50 0 EIAARN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2)n1 ZINC000002877174 563460066 /nfs/dbraw/zinc/46/00/66/563460066.db2.gz UZTJPXJEHHSJCV-UHFFFAOYSA-N 0 0 335.432 4.183 50 0 EIAARN CC1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1 ZINC000002978641 563465172 /nfs/dbraw/zinc/46/51/72/563465172.db2.gz DPAVGIUAYPZUPF-UHFFFAOYSA-N 0 0 342.675 4.067 50 0 EIAARN COc1cc(/C=C/C(=O)N[C@@H](C)CCCC(C)C)cc(OC)c1OC ZINC000002988325 563467606 /nfs/dbraw/zinc/46/76/06/563467606.db2.gz CGJRJQRPRDNBDC-NKSUMMKUSA-N 0 0 349.471 4.057 50 0 EIAARN COc1cc(C=O)ccc1OCCCOc1cc(C)ccc1Cl ZINC000002994682 563468837 /nfs/dbraw/zinc/46/88/37/563468837.db2.gz QGVAHYLWRSOAMB-UHFFFAOYSA-N 0 0 334.799 4.317 50 0 EIAARN Cc1cc(OCCCn2cnc3ccccc3c2=O)ccc1C(C)C ZINC000003003741 563469604 /nfs/dbraw/zinc/46/96/04/563469604.db2.gz ALEOGOIJJJSOCG-UHFFFAOYSA-N 0 0 336.435 4.297 50 0 EIAARN CCn1nc(C(=O)NCC2CCCCC2)cc1-c1cccc(F)c1 ZINC000034901718 563483964 /nfs/dbraw/zinc/48/39/64/563483964.db2.gz HYYGWDVOMWBWIF-UHFFFAOYSA-N 0 0 329.419 4.019 50 0 EIAARN CCOc1ccccc1NC(=O)N1CCc2c(c3ccccc3n2C)C1 ZINC000034928388 563484535 /nfs/dbraw/zinc/48/45/35/563484535.db2.gz VGGHDMXVHMTGOE-UHFFFAOYSA-N 0 0 349.434 4.167 50 0 EIAARN CCOC(=O)[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000004776376 563511213 /nfs/dbraw/zinc/51/12/13/563511213.db2.gz KDVDFTWAIFPBSA-HNNXBMFYSA-N 0 0 340.404 4.133 50 0 EIAARN COc1cccc(NC(=O)CNc2ccc(SC(F)F)cc2)c1 ZINC000046168731 563517826 /nfs/dbraw/zinc/51/78/26/563517826.db2.gz YSHAQCAGZDPSTH-UHFFFAOYSA-N 0 0 338.379 4.061 50 0 EIAARN Cc1cc(NCc2cccnc2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000005268479 563524901 /nfs/dbraw/zinc/52/49/01/563524901.db2.gz SQQCWUFBROSEFP-UHFFFAOYSA-N 0 0 349.825 4.365 50 0 EIAARN Cc1ccc(-c2cnn3c2nc(C)cc3NCc2cccnc2)cc1 ZINC000005321540 563526495 /nfs/dbraw/zinc/52/64/95/563526495.db2.gz JUNOSTUPFHCWEA-UHFFFAOYSA-N 0 0 329.407 4.020 50 0 EIAARN COc1ccccc1C(=O)CSc1nc2ccccc2n1C(F)F ZINC000005318127 563526515 /nfs/dbraw/zinc/52/65/15/563526515.db2.gz BNHUBQCQHWMXKG-UHFFFAOYSA-N 0 0 348.374 4.415 50 0 EIAARN O=C(Nc1ccccn1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000005338245 563527620 /nfs/dbraw/zinc/52/76/20/563527620.db2.gz WFOKCNOVOZBBJQ-UHFFFAOYSA-N 0 0 336.778 4.218 50 0 EIAARN CC(=O)Nc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1 ZINC000005627015 563543245 /nfs/dbraw/zinc/54/32/45/563543245.db2.gz CJTRHTHSQGIJBF-UHFFFAOYSA-N 0 0 336.416 4.168 50 0 EIAARN CC(=O)Nc1ccccc1OCc1nc(-c2cccs2)oc1C ZINC000010566277 563554741 /nfs/dbraw/zinc/55/47/41/563554741.db2.gz FIRSWIKFZYHNBM-UHFFFAOYSA-N 0 0 328.393 4.249 50 0 EIAARN COc1ccccc1Oc1ccc(N[C@H](C)c2nnc(C)o2)cc1F ZINC000071902589 563555455 /nfs/dbraw/zinc/55/54/55/563555455.db2.gz QEPXAKZACJLSTN-LLVKDONJSA-N 0 0 343.358 4.491 50 0 EIAARN O=C(COc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000006529475 563571059 /nfs/dbraw/zinc/57/10/59/563571059.db2.gz RBEKVWXURHKTNX-UHFFFAOYSA-N 0 0 349.405 4.434 50 0 EIAARN O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1F)CCCC3 ZINC000006537559 563571593 /nfs/dbraw/zinc/57/15/93/563571593.db2.gz GIVKUCVPXCDCAM-UHFFFAOYSA-N 0 0 332.425 4.128 50 0 EIAARN Cc1ccc([C@@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1 ZINC000006576874 563573657 /nfs/dbraw/zinc/57/36/57/563573657.db2.gz MFQYKKPLFPHEMD-NUJGCVRESA-N 0 0 349.478 4.180 50 0 EIAARN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCCCCC2)c1 ZINC000071909599 563575181 /nfs/dbraw/zinc/57/51/81/563575181.db2.gz CRZJYGCVWFKRAL-HSZRJFAPSA-N 0 0 336.501 4.142 50 0 EIAARN CC[C@H](N[C@H](C(=O)OC)c1ccccc1Cl)c1nc(C)cs1 ZINC000071910800 563576328 /nfs/dbraw/zinc/57/63/28/563576328.db2.gz VVFFZJJRJPOFBX-KBPBESRZSA-N 0 0 338.860 4.060 50 0 EIAARN CCCOc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000006697083 563578220 /nfs/dbraw/zinc/57/82/20/563578220.db2.gz DNEOYEXCNSQMFU-UHFFFAOYSA-N 0 0 334.213 4.490 50 0 EIAARN CCN(Cc1ccncc1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000006698601 563578880 /nfs/dbraw/zinc/57/88/80/563578880.db2.gz VXERSISLUVDWDK-UHFFFAOYSA-N 0 0 328.481 4.464 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)C[C@@H]2C)cc1 ZINC000006715614 563582362 /nfs/dbraw/zinc/58/23/62/563582362.db2.gz DBJQRWJKQKBEMW-HNNXBMFYSA-N 0 0 343.858 4.391 50 0 EIAARN CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1 ZINC000006728567 563583133 /nfs/dbraw/zinc/58/31/33/563583133.db2.gz ZMEGKWSHMNRLJQ-UHFFFAOYSA-N 0 0 328.456 4.078 50 0 EIAARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000006743076 563584566 /nfs/dbraw/zinc/58/45/66/563584566.db2.gz OLRHUULHDJMCSP-KRWDZBQOSA-N 0 0 346.814 4.095 50 0 EIAARN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000006743078 563584642 /nfs/dbraw/zinc/58/46/42/563584642.db2.gz OLRHUULHDJMCSP-QGZVFWFLSA-N 0 0 346.814 4.095 50 0 EIAARN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F ZINC000006746160 563585004 /nfs/dbraw/zinc/58/50/04/563585004.db2.gz LIBLQTOTOWYKFO-CQSZACIVSA-N 0 0 325.742 4.414 50 0 EIAARN Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(C(C)C)cc1 ZINC000006816580 563587383 /nfs/dbraw/zinc/58/73/83/563587383.db2.gz GLABOFHGNDSVAZ-UHFFFAOYSA-N 0 0 338.386 4.091 50 0 EIAARN O=C(COCc1cc(-c2cccs2)on1)Nc1cccc(Cl)c1 ZINC000006876495 563590113 /nfs/dbraw/zinc/59/01/13/563590113.db2.gz OKENYPOIHSKAPM-UHFFFAOYSA-N 0 0 348.811 4.212 50 0 EIAARN Cn1nc(-c2ccccc2)c([C@@H](O)c2ccc(Cl)cc2)c1Cl ZINC000006925449 563591635 /nfs/dbraw/zinc/59/16/35/563591635.db2.gz YHDAICFSKYFDPB-INIZCTEOSA-N 0 0 333.218 4.476 50 0 EIAARN COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000002622595 563595663 /nfs/dbraw/zinc/59/56/63/563595663.db2.gz HQIMHIHJWLFOMP-NSHDSACASA-N 0 0 344.461 4.424 50 0 EIAARN Cc1cc(CS(=O)(=O)[C@@H](C)c2ccc(F)cc2)c2ccccc2n1 ZINC000071913644 563600801 /nfs/dbraw/zinc/60/08/01/563600801.db2.gz KPYLHFPLZICWGM-AWEZNQCLSA-N 0 0 343.423 4.358 50 0 EIAARN CCOc1ccc2nc(NC(=O)Cc3ccccc3C)sc2c1 ZINC000007473476 563602927 /nfs/dbraw/zinc/60/29/27/563602927.db2.gz WPDXHMHACAZFDJ-UHFFFAOYSA-N 0 0 326.421 4.185 50 0 EIAARN COc1cccc(CNCc2ccco2)c1OCc1ccc(F)cc1 ZINC000007523630 563603883 /nfs/dbraw/zinc/60/38/83/563603883.db2.gz OWRDKYCLTDMPLO-UHFFFAOYSA-N 0 0 341.382 4.296 50 0 EIAARN O=C(NCCc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000002736656 563607567 /nfs/dbraw/zinc/60/75/67/563607567.db2.gz NFRCPPVEAWBKOL-UHFFFAOYSA-N 0 0 338.632 4.075 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)C[C@H](C)n1nc(C)c(C)c1C ZINC000007616337 563607864 /nfs/dbraw/zinc/60/78/64/563607864.db2.gz NSAWKFVYWDTJAI-JTQLQIEISA-N 0 0 335.835 4.060 50 0 EIAARN Cc1cccc(-c2noc(CNC(=O)CCC3CCCCC3)n2)c1 ZINC000007759642 563613458 /nfs/dbraw/zinc/61/34/58/563613458.db2.gz KTMXNZPWVCBJRV-UHFFFAOYSA-N 0 0 327.428 4.022 50 0 EIAARN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cc(C)cc(C)c1 ZINC000007759911 563613486 /nfs/dbraw/zinc/61/34/86/563613486.db2.gz GDJKLUPAROOUQY-UHFFFAOYSA-N 0 0 349.434 4.324 50 0 EIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(C)ccc1C ZINC000007759972 563613511 /nfs/dbraw/zinc/61/35/11/563613511.db2.gz VYCPPUBBIVJFRK-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN CCCCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 ZINC000002767532 563613787 /nfs/dbraw/zinc/61/37/87/563613787.db2.gz WXKWUSTZEDFNOI-UHFFFAOYSA-N 0 0 349.374 4.085 50 0 EIAARN C[C@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000002766343 563613821 /nfs/dbraw/zinc/61/38/21/563613821.db2.gz KTIVGPVAPGTPPW-LBPRGKRZSA-N 0 0 330.255 4.411 50 0 EIAARN Cc1nnc(CCC[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000097379551 563615953 /nfs/dbraw/zinc/61/59/53/563615953.db2.gz UEXQRCMDDIMKMO-AOUSDQRYSA-N 0 0 347.267 4.127 50 0 EIAARN C[C@@H](CN(C)C(=O)c1ccccc1-c1cncnc1)c1ccccc1 ZINC000071921735 563627155 /nfs/dbraw/zinc/62/71/55/563627155.db2.gz HYHQSMDWOZZDQP-INIZCTEOSA-N 0 0 331.419 4.019 50 0 EIAARN O=C(Nc1cccnc1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000008383067 563628574 /nfs/dbraw/zinc/62/85/74/563628574.db2.gz MJMLETRAFRZPQX-UHFFFAOYSA-N 0 0 336.778 4.218 50 0 EIAARN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C1CCCCC1 ZINC000008567396 563632636 /nfs/dbraw/zinc/63/26/36/563632636.db2.gz MRBPDWDVIIYBHI-OAHLLOKOSA-N 0 0 337.847 4.417 50 0 EIAARN COc1ccc([C@@H]2SCCN2C(=S)Nc2ccc(F)cc2)cc1 ZINC000008691733 563635735 /nfs/dbraw/zinc/63/57/35/563635735.db2.gz UFIPVOLNUYINIV-INIZCTEOSA-N 0 0 348.468 4.279 50 0 EIAARN Cn1c2ccc(Cl)cc2c(Cl)c(-c2nc3ccccc3[nH]2)c1=O ZINC000008715804 563637351 /nfs/dbraw/zinc/63/73/51/563637351.db2.gz PQKVRQRLTDRAKY-UHFFFAOYSA-N 0 0 344.201 4.389 50 0 EIAARN O=c1[nH]c2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1 ZINC000010315374 563646876 /nfs/dbraw/zinc/64/68/76/563646876.db2.gz ORHSAEUEUGOHMC-UHFFFAOYSA-N 0 0 345.402 4.047 50 0 EIAARN CO[C@@H](CNC(=O)N[C@@H](CC(C)C)c1ccccc1)c1ccccc1 ZINC000071923385 563649589 /nfs/dbraw/zinc/64/95/89/563649589.db2.gz RTKMDGYGUVLYRC-PMACEKPBSA-N 0 0 340.467 4.461 50 0 EIAARN CO[C@H](CNC(=O)N[C@H](CC(C)C)c1ccccc1)c1ccccc1 ZINC000071923388 563649676 /nfs/dbraw/zinc/64/96/76/563649676.db2.gz RTKMDGYGUVLYRC-WOJBJXKFSA-N 0 0 340.467 4.461 50 0 EIAARN CCCO[C@H]1CCCN(c2nncc(-c3ccc4ccccc4c3)n2)C1 ZINC000012314174 563657539 /nfs/dbraw/zinc/65/75/39/563657539.db2.gz FZPBVSXEPZUBTG-IBGZPJMESA-N 0 0 348.450 4.087 50 0 EIAARN CC(C)CCNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012593615 563664692 /nfs/dbraw/zinc/66/46/92/563664692.db2.gz UDSHPVIQIFRAKS-SFHVURJKSA-N 0 0 339.435 4.100 50 0 EIAARN C[C@H]1CCCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)C1 ZINC000012653599 563667154 /nfs/dbraw/zinc/66/71/54/563667154.db2.gz WHXMWXGPFQEMKH-JIMORPAJSA-N 0 0 347.462 4.171 50 0 EIAARN COc1ccc(CN2CCC[C@H](C(=O)c3sccc3C)C2)c(F)c1 ZINC000012714275 563668948 /nfs/dbraw/zinc/66/89/48/563668948.db2.gz UEROROQIZAVJSB-HNNXBMFYSA-N 0 0 347.455 4.299 50 0 EIAARN CC(C)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000032623052 563669807 /nfs/dbraw/zinc/66/98/07/563669807.db2.gz PXPLZRZSYDTVOG-UHFFFAOYSA-N 0 0 325.343 4.137 50 0 EIAARN CCNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000012787894 563670731 /nfs/dbraw/zinc/67/07/31/563670731.db2.gz OLNAKRSUEXENTA-UHFFFAOYSA-N 0 0 328.462 4.338 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1F ZINC000012796247 563672764 /nfs/dbraw/zinc/67/27/64/563672764.db2.gz BPKTXZXSGIEHBH-GFCCVEGCSA-N 0 0 347.459 4.075 50 0 EIAARN Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000012801935 563673788 /nfs/dbraw/zinc/67/37/88/563673788.db2.gz UWKLOSREJFQQMY-VEGGFIAOSA-N 0 0 345.446 4.380 50 0 EIAARN Cc1ccc(OCc2nc(C(=O)NC3CCCCC3)cs2)cc1 ZINC000012818736 563674800 /nfs/dbraw/zinc/67/48/00/563674800.db2.gz NLBWNJBOPCZEFJ-UHFFFAOYSA-N 0 0 330.453 4.093 50 0 EIAARN O=C(Nc1ccccc1F)c1ccc(OCc2cscn2)cc1 ZINC000012899099 563676449 /nfs/dbraw/zinc/67/64/49/563676449.db2.gz IFNUCXOELXOAFU-UHFFFAOYSA-N 0 0 328.368 4.114 50 0 EIAARN Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000012942306 563678298 /nfs/dbraw/zinc/67/82/98/563678298.db2.gz GUOWDPYRQXKBPR-CQSZACIVSA-N 0 0 339.464 4.236 50 0 EIAARN Cc1ccccc1OCCOC(=O)c1cccnc1Oc1ccccc1 ZINC000032666165 563678322 /nfs/dbraw/zinc/67/83/22/563678322.db2.gz WKBNDEGOVJOLSU-UHFFFAOYSA-N 0 0 349.386 4.418 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1C ZINC000012975660 563680529 /nfs/dbraw/zinc/68/05/29/563680529.db2.gz ANNWQNALVFGOFW-UHFFFAOYSA-N 0 0 328.462 4.418 50 0 EIAARN Cc1c(Cl)c(CN2C(=O)CC3(CCCC3)C2=O)nc2ccccc12 ZINC000012978133 563680877 /nfs/dbraw/zinc/68/08/77/563680877.db2.gz MAOLLXVBENDYHK-UHFFFAOYSA-N 0 0 342.826 4.016 50 0 EIAARN CN(Cc1ccco1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012980041 563681256 /nfs/dbraw/zinc/68/12/56/563681256.db2.gz UZOGJYOSYAAEQQ-UHFFFAOYSA-N 0 0 332.812 4.329 50 0 EIAARN COc1ccc(CN(C)C(=O)Cc2coc3cc(C)ccc23)cc1F ZINC000012985044 563682069 /nfs/dbraw/zinc/68/20/69/563682069.db2.gz BDTMUFZDHVGSCV-UHFFFAOYSA-N 0 0 341.382 4.090 50 0 EIAARN Cc1cc(F)ccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000012988659 563682312 /nfs/dbraw/zinc/68/23/12/563682312.db2.gz JYBACWOFJJYAKG-UHFFFAOYSA-N 0 0 349.789 4.130 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1F ZINC000012986403 563682346 /nfs/dbraw/zinc/68/23/46/563682346.db2.gz NDDRRDDUVXCCGS-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN CSc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000012989499 563682369 /nfs/dbraw/zinc/68/23/69/563682369.db2.gz XJPFFSIVWGGFAA-UHFFFAOYSA-N 0 0 339.460 4.499 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3)cc2)cs1 ZINC000012998240 563684061 /nfs/dbraw/zinc/68/40/61/563684061.db2.gz UFRQZRIXCGBJQU-UHFFFAOYSA-N 0 0 326.396 4.188 50 0 EIAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3Cl)n2)C1 ZINC000013016358 563685444 /nfs/dbraw/zinc/68/54/44/563685444.db2.gz WYJMVHOZIKBCHA-LBPRGKRZSA-N 0 0 349.887 4.281 50 0 EIAARN CCOc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OC)c(O)c1 ZINC000013127376 563689659 /nfs/dbraw/zinc/68/96/59/563689659.db2.gz MOAGFOPIQFFLOV-UHFFFAOYSA-N 0 0 340.379 4.290 50 0 EIAARN CCn1c(SCc2ccccc2F)nnc1-c1cccc(OC)c1 ZINC000013325555 563694552 /nfs/dbraw/zinc/69/45/52/563694552.db2.gz RLVQQDBFGJGQAY-UHFFFAOYSA-N 0 0 343.427 4.405 50 0 EIAARN CCCC[C@@H](CC)c1nnc(NC(=O)c2c(C)onc2CC)s1 ZINC000013330707 563696412 /nfs/dbraw/zinc/69/64/12/563696412.db2.gz HBAQKGGOBCBQDL-LLVKDONJSA-N 0 0 336.461 4.333 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2c3nsnc3ccc2C)cc1 ZINC000013494478 563699624 /nfs/dbraw/zinc/69/96/24/563699624.db2.gz JDFHWHHHBCUPOE-UHFFFAOYSA-N 0 0 341.436 4.431 50 0 EIAARN CC(=O)Nc1cccc(NC(=S)Nc2cccc(Cl)c2C)c1 ZINC000013519787 563700306 /nfs/dbraw/zinc/70/03/06/563700306.db2.gz GEEMOHKKRDWXNU-UHFFFAOYSA-N 0 0 333.844 4.416 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000013565488 563702143 /nfs/dbraw/zinc/70/21/43/563702143.db2.gz LIQGXQPKBKGTSG-CYBMUJFWSA-N 0 0 339.826 4.230 50 0 EIAARN C[C@@H](O)c1nc2ccccc2n1CCOc1ccc2ccccc2c1 ZINC000013566034 563702209 /nfs/dbraw/zinc/70/22/09/563702209.db2.gz DKSXSWREQOBNOQ-OAHLLOKOSA-N 0 0 332.403 4.322 50 0 EIAARN CCC(C)(C)NC(=O)CSc1cc(C)c(Br)cc1C ZINC000032720141 563702866 /nfs/dbraw/zinc/70/28/66/563702866.db2.gz JADTXTRHMUDMRE-UHFFFAOYSA-N 0 0 344.318 4.463 50 0 EIAARN COc1ccc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1F ZINC000032719723 563704715 /nfs/dbraw/zinc/70/47/15/563704715.db2.gz JIIYTHSEQIPHMJ-UHFFFAOYSA-N 0 0 331.431 4.009 50 0 EIAARN c1ccc(-c2nn3c(nnc3-c3ccc4ccccc4n3)s2)cc1 ZINC000013689180 563711736 /nfs/dbraw/zinc/71/17/36/563711736.db2.gz WOHSMYBTLCVKAH-UHFFFAOYSA-N 0 0 329.388 4.068 50 0 EIAARN CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1 ZINC000013714176 563715247 /nfs/dbraw/zinc/71/52/47/563715247.db2.gz JTYDXABDQNLLSW-UHFFFAOYSA-N 0 0 348.446 4.279 50 0 EIAARN Clc1ccc(-c2nnc3sc(Cc4ccccc4)nn32)cc1 ZINC000013726979 563718709 /nfs/dbraw/zinc/71/87/09/563718709.db2.gz ORDWPNTYCFXHLV-UHFFFAOYSA-N 0 0 326.812 4.097 50 0 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334.397 4.260 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccccc1 ZINC000014076204 563737835 /nfs/dbraw/zinc/73/78/35/563737835.db2.gz QGOAOMHYTXZYHZ-UHFFFAOYSA-N 0 0 340.810 4.244 50 0 EIAARN CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ncccc1Cl ZINC000014076262 563738064 /nfs/dbraw/zinc/73/80/64/563738064.db2.gz LVFXAGQAVPXRPC-LLVKDONJSA-N 0 0 334.828 4.057 50 0 EIAARN CCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(CCCC)C1 ZINC000014095512 563740488 /nfs/dbraw/zinc/74/04/88/563740488.db2.gz OTAONVLBELIDEH-MRXNPFEDSA-N 0 0 327.472 4.343 50 0 EIAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 ZINC000014162195 563745875 /nfs/dbraw/zinc/74/58/75/563745875.db2.gz WGQNTRWZALUGTM-UHFFFAOYSA-N 0 0 349.386 4.088 50 0 EIAARN O=C(CCCc1ccc(Br)s1)Nc1ccccc1O ZINC000014197541 563749353 /nfs/dbraw/zinc/74/93/53/563749353.db2.gz VBUMVKWNELTVLN-UHFFFAOYSA-N 0 0 340.242 4.178 50 0 EIAARN Cc1ccc(OCc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000014197367 563749377 /nfs/dbraw/zinc/74/93/77/563749377.db2.gz GLXMLJPPKZEPFJ-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(Cl)cc1F ZINC000032817529 563751260 /nfs/dbraw/zinc/75/12/60/563751260.db2.gz ISCUMPPISSPWHA-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000014223697 563752015 /nfs/dbraw/zinc/75/20/15/563752015.db2.gz RNNVEVSBEDHIRX-UHFFFAOYSA-N 0 0 333.453 4.102 50 0 EIAARN Cc1ccc(-c2noc(C[C@](O)(c3ccccc3)C(F)(F)F)n2)cc1 ZINC000014241861 563754046 /nfs/dbraw/zinc/75/40/46/563754046.db2.gz YEWPBMCHBKRKLI-KRWDZBQOSA-N 0 0 348.324 4.038 50 0 EIAARN O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Cl)cc1F ZINC000014245580 563754789 /nfs/dbraw/zinc/75/47/89/563754789.db2.gz IPJCHOLGNLUDOD-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN CSc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1 ZINC000014251613 563755622 /nfs/dbraw/zinc/75/56/22/563755622.db2.gz OJUSLFQHXMPJCC-UHFFFAOYSA-N 0 0 345.449 4.091 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000014397078 563758506 /nfs/dbraw/zinc/75/85/06/563758506.db2.gz MOLWOYOSARVUCN-UHFFFAOYSA-N 0 0 346.814 4.096 50 0 EIAARN Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc(Br)cc1 ZINC000014423457 563758959 /nfs/dbraw/zinc/75/89/59/563758959.db2.gz ZHDOJCZSBAIYKF-UHFFFAOYSA-N 0 0 344.252 4.279 50 0 EIAARN Nc1nc(SCCOc2ccc(Cl)cc2)nc2sccc21 ZINC000032841105 563760572 /nfs/dbraw/zinc/76/05/72/563760572.db2.gz IVVQTKKUUBNERA-UHFFFAOYSA-N 0 0 337.857 4.098 50 0 EIAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1cccs1 ZINC000032843806 563761269 /nfs/dbraw/zinc/76/12/69/563761269.db2.gz DKLKWAIRAXOSIO-UHFFFAOYSA-N 0 0 343.279 4.439 50 0 EIAARN CCN(C(=O)COc1ccccc1OC)c1cccc2ccccc21 ZINC000014738312 563764221 /nfs/dbraw/zinc/76/42/21/563764221.db2.gz OEUIPMSSNPVICP-UHFFFAOYSA-N 0 0 335.403 4.280 50 0 EIAARN CCc1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000014857354 563766015 /nfs/dbraw/zinc/76/60/15/563766015.db2.gz XYUWMCPXFUAHOT-UHFFFAOYSA-N 0 0 339.370 4.009 50 0 EIAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cc[nH]n2)c1 ZINC000015069043 563775676 /nfs/dbraw/zinc/77/56/76/563775676.db2.gz 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/nfs/dbraw/zinc/79/10/80/563791080.db2.gz QXMHDDBQWMUDTI-UHFFFAOYSA-N 0 0 347.458 4.290 50 0 EIAARN COc1ccc(/C=C2\SC(=N)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000015799149 563792642 /nfs/dbraw/zinc/79/26/42/563792642.db2.gz DURNUFXUOGQRPD-JWZKOSBISA-N 0 0 338.432 4.368 50 0 EIAARN C[N@H+](Cc1c(-c2ccccc2)nc2sccn12)Cc1ccncc1 ZINC000032906785 563793055 /nfs/dbraw/zinc/79/30/55/563793055.db2.gz LTPBXHFBHHGHFH-UHFFFAOYSA-N 0 0 334.448 4.090 50 0 EIAARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1ccco1 ZINC000015835408 563794095 /nfs/dbraw/zinc/79/40/95/563794095.db2.gz HFQXSIBSKFWUTG-UHFFFAOYSA-N 0 0 342.807 4.420 50 0 EIAARN CCCOc1cccc(C(=O)Nc2ccc(OC)c3ncccc23)c1 ZINC000015840681 563795508 /nfs/dbraw/zinc/79/55/08/563795508.db2.gz RFHRGQVCYGYVHK-UHFFFAOYSA-N 0 0 336.391 4.285 50 0 EIAARN Cc1cccc(CSc2nc(=O)n(-c3ccccc3)c3c2CCC3)c1 ZINC000015840411 563795564 /nfs/dbraw/zinc/79/55/64/563795564.db2.gz VZTHCFFDQYOEMN-UHFFFAOYSA-N 0 0 348.471 4.322 50 0 EIAARN CC(C)c1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000015934218 563800429 /nfs/dbraw/zinc/80/04/29/563800429.db2.gz YPGJQKATOSWMQA-CYBMUJFWSA-N 0 0 326.396 4.421 50 0 EIAARN COc1ccc(CCNc2nc(-c3cc(C)n(C)c3C)cs2)cc1 ZINC000032909462 563802171 /nfs/dbraw/zinc/80/21/71/563802171.db2.gz LKOHYYZWDSOPSD-UHFFFAOYSA-N 0 0 341.480 4.429 50 0 EIAARN CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000016017233 563802250 /nfs/dbraw/zinc/80/22/50/563802250.db2.gz GMWBUFBPWBFLLJ-UHFFFAOYSA-N 0 0 348.349 4.135 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000016101633 563803633 /nfs/dbraw/zinc/80/36/33/563803633.db2.gz JVCZZDZRICKBJI-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN Cc1cccc(-c2nc(CSc3ncnc4sccc43)no2)c1 ZINC000032913783 563807034 /nfs/dbraw/zinc/80/70/34/563807034.db2.gz APOUTFIVMKOTEW-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN CSc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1 ZINC000016259715 563807120 /nfs/dbraw/zinc/80/71/20/563807120.db2.gz HODNVWRCFWXKEQ-UHFFFAOYSA-N 0 0 343.477 4.431 50 0 EIAARN Cc1csc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)n1 ZINC000032914352 563811374 /nfs/dbraw/zinc/81/13/74/563811374.db2.gz WEPLRYJRXYTSJX-UHFFFAOYSA-N 0 0 347.440 4.199 50 0 EIAARN CCc1ccc2c(c1)sc(C(=O)N1C[C@@H](C)O[C@@H](C)C1)c2Cl ZINC000016603705 563816647 /nfs/dbraw/zinc/81/66/47/563816647.db2.gz VONLGAFYRRFQAJ-PHIMTYICSA-N 0 0 337.872 4.367 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000016604493 563816974 /nfs/dbraw/zinc/81/69/74/563816974.db2.gz GFVJQGUHUZKRRQ-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(F)cc1Cl ZINC000016624229 563817695 /nfs/dbraw/zinc/81/76/95/563817695.db2.gz QOHOTHYSJJBGHK-UHFFFAOYSA-N 0 0 334.822 4.166 50 0 EIAARN Cc1csc(SCC(=O)Nc2nc3ccc(C)cc3s2)n1 ZINC000016659624 563819412 /nfs/dbraw/zinc/81/94/12/563819412.db2.gz HKODQQAQNXFUKI-UHFFFAOYSA-N 0 0 335.479 4.100 50 0 EIAARN O=C(Nc1ccc(Br)c(Cl)c1)c1cccc(F)c1 ZINC000017067380 563831736 /nfs/dbraw/zinc/83/17/36/563831736.db2.gz LTRNNFQIQAJHBJ-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN Cc1cc(C)cc(C(=O)NCc2cccc(OCc3ccccn3)c2)c1 ZINC000032930592 563841325 /nfs/dbraw/zinc/84/13/25/563841325.db2.gz UZXCJSFOALEADH-UHFFFAOYSA-N 0 0 346.430 4.207 50 0 EIAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(F)cc1F ZINC000032930546 563841327 /nfs/dbraw/zinc/84/13/27/563841327.db2.gz UDXSDDLDTDDYNM-UHFFFAOYSA-N 0 0 340.329 4.082 50 0 EIAARN Cc1ccc(S[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000000374295 563841692 /nfs/dbraw/zinc/84/16/92/563841692.db2.gz UUJKEVCKEDMKFY-SNVBAGLBSA-N 0 0 341.691 4.055 50 0 EIAARN Cc1nc(-c2ccccc2)[nH]c1C(=O)N(C)Cc1ccc(C)cc1C ZINC000032932586 563842991 /nfs/dbraw/zinc/84/29/91/563842991.db2.gz HRSJTRBZUDWPIL-UHFFFAOYSA-N 0 0 333.435 4.274 50 0 EIAARN COc1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1 ZINC000017440339 563844444 /nfs/dbraw/zinc/84/44/44/563844444.db2.gz AWOASPZWSBGCON-UHFFFAOYSA-N 0 0 330.391 4.041 50 0 EIAARN CCC(=O)Nc1ccc(-c2csc(N3CCC[C@@H](C)C3)n2)cc1 ZINC000071971932 563856960 /nfs/dbraw/zinc/85/69/60/563856960.db2.gz ZROGREAHCGGIRG-CYBMUJFWSA-N 0 0 329.469 4.395 50 0 EIAARN Cc1ccc([C@H](O)CNC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000043174970 563857643 /nfs/dbraw/zinc/85/76/43/563857643.db2.gz ZHYRTYKHDRQNML-OAHLLOKOSA-N 0 0 339.222 4.157 50 0 EIAARN Cc1c2ccccc2oc1C(=O)COC(=O)Cc1c[nH]c2ccccc12 ZINC000023950685 563867537 /nfs/dbraw/zinc/86/75/37/563867537.db2.gz JHTIIBGUYBKPKT-UHFFFAOYSA-N 0 0 347.370 4.191 50 0 EIAARN C[C@@H](c1cccs1)N(C)C(=O)c1cccc(Nc2ncccn2)c1 ZINC000024780828 563875627 /nfs/dbraw/zinc/87/56/27/563875627.db2.gz KVFYJRZBIMQZDN-ZDUSSCGKSA-N 0 0 338.436 4.115 50 0 EIAARN Cc1cccc(Cc2cnc(NC(=O)c3ccccn3)s2)c1Cl ZINC000024836606 563876607 /nfs/dbraw/zinc/87/66/07/563876607.db2.gz QKUDXGTZWKTSMD-UHFFFAOYSA-N 0 0 343.839 4.343 50 0 EIAARN O=c1[nH]c2ccc(-c3csc(Nc4ccc(F)cc4F)n3)cc2[nH]1 ZINC000025060176 563880469 /nfs/dbraw/zinc/88/04/69/563880469.db2.gz ZGYKHXSQDACNGP-UHFFFAOYSA-N 0 0 344.346 4.002 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1 ZINC000025063159 563880574 /nfs/dbraw/zinc/88/05/74/563880574.db2.gz HVIXTURSVXNENP-UHFFFAOYSA-N 0 0 339.313 4.283 50 0 EIAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000025091038 563880874 /nfs/dbraw/zinc/88/08/74/563880874.db2.gz PANZBZMCMVMTFX-UHFFFAOYSA-N 0 0 339.826 4.392 50 0 EIAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1csc2c1CCCC2 ZINC000025144278 563881388 /nfs/dbraw/zinc/88/13/88/563881388.db2.gz ATFTWFJHXJBMGS-MNOVXSKESA-N 0 0 331.403 4.478 50 0 EIAARN C[C@H](NC(=O)[C@H](C)N1CCc2ccccc2C1)c1cc2ccccc2o1 ZINC000025410423 563884563 /nfs/dbraw/zinc/88/45/63/563884563.db2.gz SQQDNUAZRAQYGL-HOTGVXAUSA-N 0 0 348.446 4.057 50 0 EIAARN Cc1cc(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(C)n1C ZINC000025500296 563885443 /nfs/dbraw/zinc/88/54/43/563885443.db2.gz QIKSGKCNYNDZFO-UHFFFAOYSA-N 0 0 333.844 4.147 50 0 aggregator EIAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc2c[nH]nc21 ZINC000025624199 563886750 /nfs/dbraw/zinc/88/67/50/563886750.db2.gz ZHWNGQLQUSYOGR-FQEVSTJZSA-N 0 0 341.414 4.277 50 0 EIAARN O=S(=O)(N[C@H](c1ccccc1)C1CC1)C1=Cc2ccccc2CC1 ZINC000025675615 563887097 /nfs/dbraw/zinc/88/70/97/563887097.db2.gz UAIMQLINPRGWSX-HXUWFJFHSA-N 0 0 339.460 4.044 50 0 EIAARN Cc1ccc2c(CC(=O)NCCSCc3ccccc3)coc2c1 ZINC000025690478 563887434 /nfs/dbraw/zinc/88/74/34/563887434.db2.gz PEPVGTZQUUAWNN-UHFFFAOYSA-N 0 0 339.460 4.333 50 0 EIAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCCC1CCCCC1 ZINC000025733491 563887728 /nfs/dbraw/zinc/88/77/28/563887728.db2.gz GBZWJUXKLXAKIY-UHFFFAOYSA-N 0 0 337.485 4.088 50 0 EIAARN CC(C)CC(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000025762872 563887977 /nfs/dbraw/zinc/88/79/77/563887977.db2.gz VUOOYVLBEQOECA-UHFFFAOYSA-N 0 0 330.453 4.304 50 0 EIAARN Cc1ccc(-c2nnc(CN(Cc3ccco3)Cc3ccco3)o2)cc1 ZINC000025928391 563889196 /nfs/dbraw/zinc/88/91/96/563889196.db2.gz FDQBQIWTYUWYPR-UHFFFAOYSA-N 0 0 349.390 4.433 50 0 EIAARN Cc1ccccc1-n1ccnc1SCC(=O)c1ccc(F)cc1 ZINC000026047038 563889814 /nfs/dbraw/zinc/88/98/14/563889814.db2.gz DFMPEYRWXMOZHY-UHFFFAOYSA-N 0 0 326.396 4.295 50 0 EIAARN O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000026807163 563893389 /nfs/dbraw/zinc/89/33/89/563893389.db2.gz SSBWRKWRSIHULV-OAHLLOKOSA-N 0 0 326.327 4.051 50 0 EIAARN COc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1OC ZINC000026981896 563894408 /nfs/dbraw/zinc/89/44/08/563894408.db2.gz MOKGPQIBEKKXMB-UHFFFAOYSA-N 0 0 332.450 4.183 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)CSc1ccc(F)cc1F ZINC000027065832 563894507 /nfs/dbraw/zinc/89/45/07/563894507.db2.gz XPFABXAYGIUMBF-UHFFFAOYSA-N 0 0 349.402 4.045 50 0 EIAARN CCCNC(=O)[C@@H]1CCCN1Cc1sc2ccccc2c1Cl ZINC000027112253 563894895 /nfs/dbraw/zinc/89/48/95/563894895.db2.gz RVPUOFAINKVUCZ-ZDUSSCGKSA-N 0 0 336.888 4.045 50 0 EIAARN COc1ccc(CN(C)[C@H](C)c2nnc(-c3ccccc3)o2)cc1F ZINC000027211255 563894900 /nfs/dbraw/zinc/89/49/00/563894900.db2.gz UCVTUIDVEUPJCM-CYBMUJFWSA-N 0 0 341.386 4.077 50 0 EIAARN Cc1cccc(OCCNC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000027378289 563895627 /nfs/dbraw/zinc/89/56/27/563895627.db2.gz UCWCRRKOGABIPV-UHFFFAOYSA-N 0 0 329.396 4.158 50 0 EIAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1CC1 ZINC000027481874 563896232 /nfs/dbraw/zinc/89/62/32/563896232.db2.gz LVKIDFOFEZZRAA-UHFFFAOYSA-N 0 0 326.343 4.030 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1csc(C)n1 ZINC000072271601 563896311 /nfs/dbraw/zinc/89/63/11/563896311.db2.gz MCKSDBNGIKTBJZ-IINYFYTJSA-N 0 0 335.498 4.293 50 0 EIAARN COc1cccc(C(=O)N(Cc2ccc(C)cc2)c2ccccn2)c1 ZINC000027584601 563897333 /nfs/dbraw/zinc/89/73/33/563897333.db2.gz LGPCKEZLKFDSRZ-UHFFFAOYSA-N 0 0 332.403 4.246 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)nc1 ZINC000027642045 563897879 /nfs/dbraw/zinc/89/78/79/563897879.db2.gz TVLUQZGWFXYQMK-UHFFFAOYSA-N 0 0 340.386 4.253 50 0 EIAARN CC[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000027680338 563898857 /nfs/dbraw/zinc/89/88/57/563898857.db2.gz GBMBIDADYYCRLI-UZLBHIALSA-N 0 0 333.435 4.243 50 0 EIAARN Cc1cccc(OCC(=O)N(Cc2cccs2)c2ccccn2)c1 ZINC000027744005 563899310 /nfs/dbraw/zinc/89/93/10/563899310.db2.gz SVOIAPDQXOHRJQ-UHFFFAOYSA-N 0 0 338.432 4.064 50 0 EIAARN O=C(c1ccco1)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028292090 563902306 /nfs/dbraw/zinc/90/23/06/563902306.db2.gz CDKYAVQVJSPLQD-UHFFFAOYSA-N 0 0 330.746 4.314 50 0 EIAARN CC(=O)Nc1s/c(=N/c2ccccc2)n(C)c1-c1ccc(C)cc1 ZINC000028405588 563902805 /nfs/dbraw/zinc/90/28/05/563902805.db2.gz LHWQFNCRTLPXPF-XUTLUUPISA-N 0 0 337.448 4.253 50 0 EIAARN CC(C)c1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)[nH]n1 ZINC000072275263 563903102 /nfs/dbraw/zinc/90/31/02/563903102.db2.gz LRXAUOZVFYNFJM-UHFFFAOYSA-N 0 0 346.500 4.010 50 0 EIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1Cl ZINC000028605362 563903511 /nfs/dbraw/zinc/90/35/11/563903511.db2.gz SRNCPBXYGIKVPT-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@@H]1CCCc2ccccc21 ZINC000028644051 563903690 /nfs/dbraw/zinc/90/36/90/563903690.db2.gz AJMZLVHNYZJXJK-OAQYLSRUSA-N 0 0 347.458 4.332 50 0 EIAARN CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCO2 ZINC000028871469 563904316 /nfs/dbraw/zinc/90/43/16/563904316.db2.gz OHIFLIAJJQBKAS-CQSZACIVSA-N 0 0 340.423 4.020 50 0 EIAARN CC(C)[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccs1 ZINC000029097683 563904903 /nfs/dbraw/zinc/90/49/03/563904903.db2.gz ALXZAWPRMBZWDZ-IBGZPJMESA-N 0 0 341.480 4.461 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)c1cncc(Br)c1 ZINC000000121136 563905929 /nfs/dbraw/zinc/90/59/29/563905929.db2.gz GNUFRGMAUCDTPV-UHFFFAOYSA-N 0 0 345.118 4.115 50 0 EIAARN COc1cccc(CNC(=O)Nc2ccccc2SC(F)F)c1 ZINC000043552773 563906508 /nfs/dbraw/zinc/90/65/08/563906508.db2.gz YGPRWKWNWVHQNF-UHFFFAOYSA-N 0 0 338.379 4.332 50 0 EIAARN CCc1ccc(OC(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000029473646 563906600 /nfs/dbraw/zinc/90/66/00/563906600.db2.gz ZVMKWFFYBZAAEZ-UHFFFAOYSA-N 0 0 336.391 4.146 50 0 EIAARN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 ZINC000029617157 563907589 /nfs/dbraw/zinc/90/75/89/563907589.db2.gz ZJJWNCVYJXOXFD-ZDUSSCGKSA-N 0 0 340.814 4.408 50 0 EIAARN CC(=O)c1c(C)cc(C)c(CSCc2ccc(C(N)=O)cc2)c1C ZINC000029678204 563907839 /nfs/dbraw/zinc/90/78/39/563907839.db2.gz MZDXKZMVMZEJNM-UHFFFAOYSA-N 0 0 341.476 4.347 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)NCc1nc2ccccc2s1 ZINC000029677145 563907895 /nfs/dbraw/zinc/90/78/95/563907895.db2.gz OSVIWUXGBPZHLZ-ZDUSSCGKSA-N 0 0 325.437 4.165 50 0 EIAARN O=C(Nc1ccc(-n2cccn2)nc1)c1ccccc1-c1ccccc1 ZINC000029852113 563908727 /nfs/dbraw/zinc/90/87/27/563908727.db2.gz SEMQGWCTZSRLGQ-UHFFFAOYSA-N 0 0 340.386 4.187 50 0 EIAARN CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC(=O)[C@@H]1C[C@@H]1C ZINC000072289668 563908766 /nfs/dbraw/zinc/90/87/66/563908766.db2.gz CINXRRCYEJIDJE-CFVMTHIKSA-N 0 0 333.428 4.224 50 0 EIAARN C[C@H]1C[C@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000072291531 563909060 /nfs/dbraw/zinc/90/90/60/563909060.db2.gz YDFARVQEWUXWFW-SWLSCSKDSA-N 0 0 342.826 4.211 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)nc1 ZINC000030009478 563909157 /nfs/dbraw/zinc/90/91/57/563909157.db2.gz WTGQQUJPJDAJHU-KBPBESRZSA-N 0 0 327.428 4.043 50 0 EIAARN Cn1ccnc1[C@@H](NCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000030644156 563910134 /nfs/dbraw/zinc/91/01/34/563910134.db2.gz RZJAXZLZUVPEQW-KRWDZBQOSA-N 0 0 329.806 4.092 50 0 EIAARN COc1ccccc1CC(=O)Nc1cc(C(C)(C)C)ccc1C(C)=O ZINC000030822824 563910807 /nfs/dbraw/zinc/91/08/07/563910807.db2.gz IARXIEPBUSRGBQ-UHFFFAOYSA-N 0 0 339.435 4.377 50 0 EIAARN Cc1csc([C@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)n1 ZINC000072298870 563912438 /nfs/dbraw/zinc/91/24/38/563912438.db2.gz KSVIDYQIJMQRSX-IRXDYDNUSA-N 0 0 340.492 4.278 50 0 EIAARN Oc1ccc(SC(F)(F)[C@@](F)(Cl)OC(F)(F)F)c(O)c1 ZINC000003103049 563912595 /nfs/dbraw/zinc/91/25/95/563912595.db2.gz BWNYFRIKEGXHCS-ZETCQYMHSA-N 0 0 342.644 4.181 50 0 EIAARN CSc1ccc(-c2ccc3c(n2)[nH]n(-c2ccccc2)c3=O)cc1 ZINC000031818533 563913131 /nfs/dbraw/zinc/91/31/31/563913131.db2.gz UYTHWLQPGGWQME-UHFFFAOYSA-N 0 0 333.416 4.103 50 0 EIAARN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@@H]1c1ccco1 ZINC000033012300 563914762 /nfs/dbraw/zinc/91/47/62/563914762.db2.gz WZGCOTUKGNEPDL-OAHLLOKOSA-N 0 0 326.327 4.051 50 0 EIAARN C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N(C)C1=O ZINC000072305659 563915357 /nfs/dbraw/zinc/91/53/57/563915357.db2.gz JDRSRHIXQMLOSZ-ZDUSSCGKSA-N 0 0 348.368 4.325 50 0 EIAARN Cc1noc(C)c1[C@@H]1SC(C)=Nc2c1c(=O)[nH]n2C1CCCC1 ZINC000071284160 563915717 /nfs/dbraw/zinc/91/57/17/563915717.db2.gz IYRVCEJCVFPLOC-AWEZNQCLSA-N 0 0 332.429 4.195 50 0 EIAARN CCc1ccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 ZINC000033562495 563916273 /nfs/dbraw/zinc/91/62/73/563916273.db2.gz RYSNWZITOIUDKV-ATVHPVEESA-N 0 0 338.432 4.355 50 0 EIAARN O=C(Nc1cnccc1-c1cccc(F)c1)[C@H]1CCOc2ccccc21 ZINC000177545509 563916280 /nfs/dbraw/zinc/91/62/80/563916280.db2.gz WMIHRRCZTULXIZ-SFHVURJKSA-N 0 0 348.377 4.393 50 0 EIAARN CCCN(Cc1ccccc1)C(=O)Nc1ccc2nsnc2c1 ZINC000003004267 563918789 /nfs/dbraw/zinc/91/87/89/563918789.db2.gz RRTCLVUDIWPQEZ-UHFFFAOYSA-N 0 0 326.425 4.135 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000005046938 563919200 /nfs/dbraw/zinc/91/92/00/563919200.db2.gz YGSAREZRQXGFLB-UHFFFAOYSA-N 0 0 330.387 4.120 50 0 EIAARN O=C(Cc1cccs1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 ZINC000034795037 563919636 /nfs/dbraw/zinc/91/96/36/563919636.db2.gz FTKRFMROHIIONG-UHFFFAOYSA-N 0 0 341.411 4.336 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000034867696 563919923 /nfs/dbraw/zinc/91/99/23/563919923.db2.gz WQTKINSRLOIMFR-IHRRRGAJSA-N 0 0 328.378 4.476 50 0 EIAARN CCCCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032975052 563920275 /nfs/dbraw/zinc/92/02/75/563920275.db2.gz VCHXUIBPQDYPFI-UHFFFAOYSA-N 0 0 347.462 4.388 50 0 EIAARN Cc1csc(-c2ccc(CNC(=O)Cc3cccc(C)c3)cc2)n1 ZINC000097938056 563922700 /nfs/dbraw/zinc/92/27/00/563922700.db2.gz KOJSUXYUIYWHOL-UHFFFAOYSA-N 0 0 336.460 4.286 50 0 EIAARN C/C(=C/C(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1)C1CC1 ZINC000071818102 563922885 /nfs/dbraw/zinc/92/28/85/563922885.db2.gz QDLAHLLNOJKQNR-LUAWRHEFSA-N 0 0 330.428 4.476 50 0 EIAARN C[C@@H]1CCCN(C(=O)c2nc3ccccn3c2-c2ccc(F)cc2)C1 ZINC000097939354 563923973 /nfs/dbraw/zinc/92/39/73/563923973.db2.gz KXXYZNGYQZTNBP-CQSZACIVSA-N 0 0 337.398 4.013 50 0 EIAARN CSCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1 ZINC000032999893 563924515 /nfs/dbraw/zinc/92/45/15/563924515.db2.gz SCIKEYAXOUXLRC-UHFFFAOYSA-N 0 0 330.453 4.385 50 0 EIAARN COc1cccc(NC(=S)NCCCSC2CCCCC2)c1 ZINC000002933360 563924534 /nfs/dbraw/zinc/92/45/34/563924534.db2.gz QOMGVAHJLUVUTQ-UHFFFAOYSA-N 0 0 338.542 4.438 50 0 EIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000044675496 563926518 /nfs/dbraw/zinc/92/65/18/563926518.db2.gz JXUNIAFLRQWXKM-UHFFFAOYSA-N 0 0 331.696 4.428 50 0 EIAARN CC(C)n1c2ccccc2nc1SCC(=O)Nc1ccc(O)cc1 ZINC000071858775 563929065 /nfs/dbraw/zinc/92/90/65/563929065.db2.gz UDOSKBOSLFTOFV-UHFFFAOYSA-N 0 0 341.436 4.054 50 0 EIAARN Cc1cccc(C)c1NC(=S)N(CCc1ccncc1)C(C)C ZINC000013543628 563929822 /nfs/dbraw/zinc/92/98/22/563929822.db2.gz QDZSPVXGVTVRON-UHFFFAOYSA-N 0 0 327.497 4.348 50 0 EIAARN Cc1nn(C)cc1-c1ccnc(NCc2cccc(Cl)c2Cl)n1 ZINC000048148172 563930009 /nfs/dbraw/zinc/93/00/09/563930009.db2.gz IWJKERIEXBMBOM-UHFFFAOYSA-N 0 0 348.237 4.104 50 0 EIAARN Cc1ccc(-c2nc(N3C[C@@H](C)O[C@H](C)C3)nc3ccccc32)cc1 ZINC000072314706 563930760 /nfs/dbraw/zinc/93/07/60/563930760.db2.gz JTZNBPKYISTZHL-HZPDHXFCSA-N 0 0 333.435 4.219 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccncc3)c2)c1 ZINC000071902996 563931683 /nfs/dbraw/zinc/93/16/83/563931683.db2.gz HZEWPGBXMGBJHX-UHFFFAOYSA-N 0 0 347.374 4.085 50 0 EIAARN O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cccnc1 ZINC000057994733 563936251 /nfs/dbraw/zinc/93/62/51/563936251.db2.gz KVXJMTVPGFVRTK-UHFFFAOYSA-N 0 0 326.783 4.171 50 0 EIAARN CSc1nc2ccc(NC(=O)N(C)Cc3ccco3)cc2s1 ZINC000058028820 563936810 /nfs/dbraw/zinc/93/68/10/563936810.db2.gz JKRQMPOWEATLPH-UHFFFAOYSA-N 0 0 333.438 4.275 50 0 EIAARN C[C@H](NC(=O)[C@H](c1ccccc1)n1cccn1)c1ccccc1Cl ZINC000058065844 563937160 /nfs/dbraw/zinc/93/71/60/563937160.db2.gz JLQKGBQZKHSTQA-KSSFIOAISA-N 0 0 339.826 4.003 50 0 EIAARN Cc1cccc(C[S@](=O)Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000058161543 563938347 /nfs/dbraw/zinc/93/83/47/563938347.db2.gz SNEKJEPKXGAIOT-HSZRJFAPSA-N 0 0 329.396 4.238 50 0 EIAARN C[C@H]1C[C@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000058167231 563938733 /nfs/dbraw/zinc/93/87/33/563938733.db2.gz WXNDFKXIAJAKMC-GXFFZTMASA-N 0 0 340.250 4.071 50 0 EIAARN Cc1cc(Sc2nccn2C)ccc1NC(=O)c1cccc(F)c1 ZINC000058180736 563939285 /nfs/dbraw/zinc/93/92/85/563939285.db2.gz KTVPCATZQMBZFA-UHFFFAOYSA-N 0 0 341.411 4.271 50 0 EIAARN CS[C@@H](C)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000058184767 563939293 /nfs/dbraw/zinc/93/92/93/563939293.db2.gz GKBPIWYSHDKJAZ-SJCJKPOMSA-N 0 0 335.419 4.116 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1NCC(F)(F)F ZINC000058191017 563939327 /nfs/dbraw/zinc/93/93/27/563939327.db2.gz AYAMBRIZKNKVMP-UHFFFAOYSA-N 0 0 347.340 4.323 50 0 EIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 ZINC000058195260 563939540 /nfs/dbraw/zinc/93/95/40/563939540.db2.gz MMHVDLGECVANQP-VXGBXAGGSA-N 0 0 332.787 4.024 50 0 EIAARN COc1ccccc1CNC(=O)c1sccc1-c1ccc(F)cc1 ZINC000058218321 563940193 /nfs/dbraw/zinc/94/01/93/563940193.db2.gz RJBQLWDUSDQGLM-UHFFFAOYSA-N 0 0 341.407 4.493 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000058226613 563940346 /nfs/dbraw/zinc/94/03/46/563940346.db2.gz BLDQDLSHJDHVDA-BTDLBPIBSA-N 0 0 332.831 4.316 50 0 EIAARN COc1ccc2oc(C)c(C(=O)Nc3ccc(-c4nnco4)cc3)c2c1 ZINC000058265379 563941049 /nfs/dbraw/zinc/94/10/49/563941049.db2.gz WUVWQEHZIOCWBS-UHFFFAOYSA-N 0 0 349.346 4.052 50 0 EIAARN CC[C@H](C)NC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000058282847 563941692 /nfs/dbraw/zinc/94/16/92/563941692.db2.gz BNVGGUGEQPPSAV-LBPRGKRZSA-N 0 0 341.436 4.043 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2cc(C)sc2C)c1 ZINC000058341257 563942887 /nfs/dbraw/zinc/94/28/87/563942887.db2.gz NZDVFUWJHPMZPB-LBPRGKRZSA-N 0 0 346.452 4.343 50 0 EIAARN C[C@@H]1CCc2[nH]c3c(cccc3C(=O)N(C)CCc3ccncc3)c2C1 ZINC000058356427 563943403 /nfs/dbraw/zinc/94/34/03/563943403.db2.gz HWQIGKKLVPDARH-OAHLLOKOSA-N 0 0 347.462 4.002 50 0 EIAARN Cc1[nH]c2ccc(C(=O)NCCO[C@@H]3CCCC[C@@H]3C)cc2c1C ZINC000058370496 563944088 /nfs/dbraw/zinc/94/40/88/563944088.db2.gz BWTCPMNMSJBRDK-ORAYPTAESA-N 0 0 328.456 4.110 50 0 EIAARN Cc1ccc2nc(NC(=O)[C@H](c3ccccc3)n3cccn3)sc2c1 ZINC000058406470 563945075 /nfs/dbraw/zinc/94/50/75/563945075.db2.gz LQLQQRPOZBDDHQ-KRWDZBQOSA-N 0 0 348.431 4.029 50 0 EIAARN CCC[C@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000058407303 563945260 /nfs/dbraw/zinc/94/52/60/563945260.db2.gz PYGDTLKNOLLSDL-AWEZNQCLSA-N 0 0 347.484 4.160 50 0 EIAARN CC(C)Oc1ncccc1CNC(=O)c1cc2c(s1)CCCCC2 ZINC000058415648 563945411 /nfs/dbraw/zinc/94/54/11/563945411.db2.gz DDGVZINYMLCKPS-UHFFFAOYSA-N 0 0 344.480 4.129 50 0 EIAARN Cc1cccc(Nc2ccccc2C(=O)NO[C@H]2CCCCO2)c1C ZINC000058416005 563945412 /nfs/dbraw/zinc/94/54/12/563945412.db2.gz XIILQQZYRWORIO-IBGZPJMESA-N 0 0 340.423 4.235 50 0 EIAARN Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(Cl)s2)o1 ZINC000058421676 563945857 /nfs/dbraw/zinc/94/58/57/563945857.db2.gz BMXHYAVKTFZAFU-OAHLLOKOSA-N 0 0 345.855 4.393 50 0 EIAARN Cc1ccc(-c2nc(CN(C[C@@H](C)O)c3ccccc3)cs2)o1 ZINC000058425867 563946024 /nfs/dbraw/zinc/94/60/24/563946024.db2.gz SINSEOBHZUCXOG-CYBMUJFWSA-N 0 0 328.437 4.099 50 0 EIAARN CN(C)c1cccc(C(=O)N2CCSc3ccc(Cl)cc32)c1 ZINC000058714862 563947155 /nfs/dbraw/zinc/94/71/55/563947155.db2.gz QDHRVRQWAJBXLC-UHFFFAOYSA-N 0 0 332.856 4.159 50 0 EIAARN CC(C)(C)c1cccc(OCC(=O)Nc2ccnn2C2CCCC2)c1 ZINC000058872172 563947245 /nfs/dbraw/zinc/94/72/45/563947245.db2.gz XGSWHPWITPFJCH-UHFFFAOYSA-N 0 0 341.455 4.313 50 0 EIAARN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2S1 ZINC000033059183 563950103 /nfs/dbraw/zinc/95/01/03/563950103.db2.gz ZOLLPABBXUNKLW-GFCCVEGCSA-N 0 0 332.856 4.279 50 0 EIAARN CS[C@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000096411734 563950683 /nfs/dbraw/zinc/95/06/83/563950683.db2.gz XAPCLFDEDXQCHI-IAQYHMDHSA-N 0 0 349.887 4.145 50 0 EIAARN Cc1ccc(NC(=O)CN2C[C@@H](C)Sc3ccccc32)cc1C ZINC000033059221 563951588 /nfs/dbraw/zinc/95/15/88/563951588.db2.gz ZXGARIGZOHLAHB-OAHLLOKOSA-N 0 0 326.465 4.243 50 0 EIAARN CC[C@H]1CN(CC(=O)NC2CCCCCC2)c2ccccc2S1 ZINC000033059302 563951753 /nfs/dbraw/zinc/95/17/53/563951753.db2.gz QYMZOIQWEZUKFM-INIZCTEOSA-N 0 0 332.513 4.216 50 0 EIAARN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000096440874 563953319 /nfs/dbraw/zinc/95/33/19/563953319.db2.gz MZSHWWSLFRYNJG-BBRMVZONSA-N 0 0 345.418 4.083 50 0 EIAARN CC(=O)Nc1ccc(O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000096448233 563953586 /nfs/dbraw/zinc/95/35/86/563953586.db2.gz WLTZYYKTIXYFQL-CYBMUJFWSA-N 0 0 337.379 4.143 50 0 EIAARN CC(=O)Nc1cc(NCc2csc(C(C)C)n2)c(F)cc1F ZINC000096461382 563954058 /nfs/dbraw/zinc/95/40/58/563954058.db2.gz YIZLCMKCNNUOPL-UHFFFAOYSA-N 0 0 325.384 4.115 50 0 EIAARN Cc1noc(C)c1CCNC(=O)Nc1ccccc1SC(C)C ZINC000096474188 563954876 /nfs/dbraw/zinc/95/48/76/563954876.db2.gz LUWBCMLACTYZHK-UHFFFAOYSA-N 0 0 333.457 4.156 50 0 EIAARN CSCCc1c(-c2ccccc2)ncn1[C@@H](C)CCn1cccn1 ZINC000063884011 563956525 /nfs/dbraw/zinc/95/65/25/563956525.db2.gz MUHXHTDOCMRQRH-INIZCTEOSA-N 0 0 340.496 4.303 50 0 EIAARN Cc1noc([C@H]2CCCN2Cc2cnc(-c3ccccc3C)s2)n1 ZINC000065395646 563959622 /nfs/dbraw/zinc/95/96/22/563959622.db2.gz IQNANGOAIYFRPI-MRXNPFEDSA-N 0 0 340.452 4.147 50 0 EIAARN O[C@@H]1Cc2ccccc2[C@@H]1n1cnc(-c2ccccc2)c1-c1ccco1 ZINC000065406131 563960049 /nfs/dbraw/zinc/96/00/49/563960049.db2.gz LGVUNKLCZIPYJY-NQIIRXRSSA-N 0 0 342.398 4.317 50 0 EIAARN O=C(CCC(F)(F)F)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000065405589 563960117 /nfs/dbraw/zinc/96/01/17/563960117.db2.gz KMSLAIOOBUWWMZ-GFCCVEGCSA-N 0 0 349.343 4.479 50 0 EIAARN CCC[C@@H](C)c1c(-c2ccccc2)ncn1Cc1nnc2n1CCC2 ZINC000065409885 563960466 /nfs/dbraw/zinc/96/04/66/563960466.db2.gz ZGHBPTJPJABHPO-OAHLLOKOSA-N 0 0 335.455 4.040 50 0 EIAARN c1nc(-c2ccccc2)c([C@H]2CCOC2)n1CCNc1ccccc1 ZINC000065452005 563961078 /nfs/dbraw/zinc/96/10/78/563961078.db2.gz BKZIJOYBHMZCCQ-SFHVURJKSA-N 0 0 333.435 4.166 50 0 EIAARN Cc1cc([C@H]2CCCN2Cc2cc(=O)oc3c(C)cc(C)cc23)on1 ZINC000065491892 563961484 /nfs/dbraw/zinc/96/14/84/563961484.db2.gz KUQGQZLDZHBINS-QGZVFWFLSA-N 0 0 338.407 4.043 50 0 EIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000096658922 563962183 /nfs/dbraw/zinc/96/21/83/563962183.db2.gz KFMUWIKZIHSODL-UHFFFAOYSA-N 0 0 331.481 4.195 50 0 EIAARN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)c(OC)c1 ZINC000071282928 563964144 /nfs/dbraw/zinc/96/41/44/563964144.db2.gz VEJMEGQQXKNWNH-HNNXBMFYSA-N 0 0 341.411 4.139 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)ccc1O ZINC000071388818 563964238 /nfs/dbraw/zinc/96/42/38/563964238.db2.gz UXJSMNGRJQIKAO-INIZCTEOSA-N 0 0 341.426 4.325 50 0 EIAARN FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000071388558 563964246 /nfs/dbraw/zinc/96/42/46/563964246.db2.gz ZWAORUUMRQRCMK-CQSZACIVSA-N 0 0 337.389 4.273 50 0 EIAARN c1cn(CCc2nc(-c3ccccc3)cs2)c(-c2ccncc2)n1 ZINC000071405819 563964299 /nfs/dbraw/zinc/96/42/99/563964299.db2.gz UDJHEKQGQGRYEJ-UHFFFAOYSA-N 0 0 332.432 4.311 50 0 EIAARN Cc1[nH]cnc1-c1nccn1CC[C@@H](c1ccco1)c1ccccc1 ZINC000071615072 563964665 /nfs/dbraw/zinc/96/46/65/563964665.db2.gz JTTCBTCOBBSQAW-QGZVFWFLSA-N 0 0 332.407 4.397 50 0 EIAARN CCc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(C3CC3)no2)c1C ZINC000071745948 563964968 /nfs/dbraw/zinc/96/49/68/563964968.db2.gz PRXJFHFFCYITNP-UHFFFAOYSA-N 0 0 337.423 4.143 50 0 EIAARN Cc1ccc(-c2ccnc(N[C@@H](c3ncccc3C)C3CC3)n2)c(C)n1 ZINC000071749561 563965044 /nfs/dbraw/zinc/96/50/44/563965044.db2.gz YUJIYGUQYYBNDT-HXUWFJFHSA-N 0 0 345.450 4.422 50 0 EIAARN CSc1ccc2c(C)cc(N3CCO[C@@H](C(F)(F)F)C3)nc2c1 ZINC000071752126 563965166 /nfs/dbraw/zinc/96/51/66/563965166.db2.gz AGOKDGFIYYPQKZ-CQSZACIVSA-N 0 0 342.386 4.033 50 0 EIAARN COc1c(F)cccc1C(=O)N1CCC[C@@H](CCc2ccccc2)C1 ZINC000071753709 563965253 /nfs/dbraw/zinc/96/52/53/563965253.db2.gz JIMGHDHGYPVBFC-KRWDZBQOSA-N 0 0 341.426 4.319 50 0 EIAARN Cc1ncsc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071753438 563965255 /nfs/dbraw/zinc/96/52/55/563965255.db2.gz HIAAXFQAFFGUFQ-OAHLLOKOSA-N 0 0 332.444 4.076 50 0 EIAARN CCc1noc(C)c1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071755383 563965282 /nfs/dbraw/zinc/96/52/82/563965282.db2.gz GXKJBXPCJTXEGT-MRXNPFEDSA-N 0 0 344.430 4.170 50 0 EIAARN O=C(c1cc(C2CC2)no1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071761952 563965370 /nfs/dbraw/zinc/96/53/70/563965370.db2.gz FEOYLARTNIBUOU-HNNXBMFYSA-N 0 0 342.414 4.176 50 0 EIAARN c1cn(CCc2cnccn2)c(-c2ccc(-c3ccccc3)s2)n1 ZINC000071765406 563965516 /nfs/dbraw/zinc/96/55/16/563965516.db2.gz SQFFIVUPMRCFRO-UHFFFAOYSA-N 0 0 332.432 4.311 50 0 EIAARN C[C@H](Cc1cccnc1)n1ccnc1-c1cnc(-c2cccs2)nc1 ZINC000071775491 563965696 /nfs/dbraw/zinc/96/56/96/563965696.db2.gz FGKJAJPYZXPMHY-CQSZACIVSA-N 0 0 347.447 4.267 50 0 EIAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(NC2CC2)nc1 ZINC000060564323 563965900 /nfs/dbraw/zinc/96/59/00/563965900.db2.gz UVRFDOHPNCHUQZ-INIZCTEOSA-N 0 0 339.439 4.001 50 0 EIAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)no1 ZINC000033254244 563965993 /nfs/dbraw/zinc/96/59/93/563965993.db2.gz IQVHKEUDOGQINR-UHFFFAOYSA-N 0 0 345.761 4.344 50 0 EIAARN O=C(NC1CCCC1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033252356 563966090 /nfs/dbraw/zinc/96/60/90/563966090.db2.gz VZXDFMPGMRMYDE-UHFFFAOYSA-N 0 0 333.391 4.076 50 0 EIAARN CCCNC(=O)c1ccc(Nc2ccc(-c3cccc(C)c3)nn2)cc1 ZINC000033256960 563966160 /nfs/dbraw/zinc/96/61/60/563966160.db2.gz KBDWNUKMXBIOMH-UHFFFAOYSA-N 0 0 346.434 4.335 50 0 EIAARN CC(C)CCNC(=O)c1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000033264730 563966491 /nfs/dbraw/zinc/96/64/91/563966491.db2.gz PXFAKJGGOJFUSN-UHFFFAOYSA-N 0 0 335.451 4.124 50 0 EIAARN CC(C)(CC1CCOCC1)C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000097015003 563966668 /nfs/dbraw/zinc/96/66/68/563966668.db2.gz RXJIDGVEQRWUDL-GOSISDBHSA-N 0 0 347.524 4.146 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)Nc2c(C)noc2C2CC2)c(Cl)c1 ZINC000097103436 563967603 /nfs/dbraw/zinc/96/76/03/563967603.db2.gz VIBHGZUVUFPXCF-UHFFFAOYSA-N 0 0 348.790 4.116 50 0 EIAARN CCn1nc(C)c(NC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)c1C ZINC000097100094 563967679 /nfs/dbraw/zinc/96/76/79/563967679.db2.gz WJJUUKOXQMUJKJ-LRDDRELGSA-N 0 0 344.459 4.426 50 0 EIAARN Cc1ccccc1OC[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000077376166 563969209 /nfs/dbraw/zinc/96/92/09/563969209.db2.gz QRYIBEPNASXKOD-KRWDZBQOSA-N 0 0 348.446 4.408 50 0 EIAARN Cc1cc2occ(CC(=O)N3CCC[C@H]3c3ccccn3)c2c(C)c1 ZINC000077376374 563969233 /nfs/dbraw/zinc/96/92/33/563969233.db2.gz RHKKHEFRGJYXQA-SFHVURJKSA-N 0 0 334.419 4.351 50 0 EIAARN CN(C(=O)c1cccc(Cn2cccn2)c1)[C@@H]1CCCc2ccccc21 ZINC000077375964 563969246 /nfs/dbraw/zinc/96/92/46/563969246.db2.gz UMEXMSPHCHJCAK-OAQYLSRUSA-N 0 0 345.446 4.081 50 0 EIAARN O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077386425 563969337 /nfs/dbraw/zinc/96/93/37/563969337.db2.gz MWWMWQSBYFHTKH-LJQANCHMSA-N 0 0 331.419 4.097 50 0 EIAARN CCCc1oncc1C(=O)N1CCC(Sc2ccccc2C)CC1 ZINC000077408075 563969530 /nfs/dbraw/zinc/96/95/30/563969530.db2.gz HMFZZGFIRLSAMO-UHFFFAOYSA-N 0 0 344.480 4.332 50 0 EIAARN COc1cccc([C@@H]2CCCCN2C(=O)c2csc(C(C)=O)c2)c1 ZINC000077420408 563969566 /nfs/dbraw/zinc/96/95/66/563969566.db2.gz LSINEKLGEWCXGY-KRWDZBQOSA-N 0 0 343.448 4.327 50 0 EIAARN CN(C)c1ccccc1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077504125 563970034 /nfs/dbraw/zinc/97/00/34/563970034.db2.gz ODXKOSCGVLVDPP-GOSISDBHSA-N 0 0 326.415 4.259 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N(C)Cc3cc(C4CC4)on3)c2c1 ZINC000077556354 563970337 /nfs/dbraw/zinc/97/03/37/563970337.db2.gz JJDLOLWJTOAXDC-UHFFFAOYSA-N 0 0 349.434 4.243 50 0 EIAARN CCOc1cc(Cl)ccc1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000097037964 563971305 /nfs/dbraw/zinc/97/13/05/563971305.db2.gz YKRKYHDDWRHOOX-UHFFFAOYSA-N 0 0 348.830 4.048 50 0 EIAARN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000033270083 563971786 /nfs/dbraw/zinc/97/17/86/563971786.db2.gz IPMRAVHEZWGFSG-GOSISDBHSA-N 0 0 342.439 4.103 50 0 EIAARN CC(=O)c1cc(CC(=O)N2CCCCC[C@@H]2c2ccco2)cs1 ZINC000082096227 563972153 /nfs/dbraw/zinc/97/21/53/563972153.db2.gz GDLJPSYOMLMOSM-OAHLLOKOSA-N 0 0 331.437 4.230 50 0 EIAARN COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2ccco2)cc1 ZINC000082106837 563972318 /nfs/dbraw/zinc/97/23/18/563972318.db2.gz CEXRSTTVNNUJFW-GOSISDBHSA-N 0 0 327.424 4.368 50 0 EIAARN COCCC[C@@H]1CCCCN1C(=O)c1cc(C)nc2cc(F)ccc21 ZINC000082120505 563972457 /nfs/dbraw/zinc/97/24/57/563972457.db2.gz OXFYXUDGMFVKNS-INIZCTEOSA-N 0 0 344.430 4.104 50 0 EIAARN Cc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)no1 ZINC000082126425 563972538 /nfs/dbraw/zinc/97/25/38/563972538.db2.gz BMWUDIXQOXSEEV-KRWDZBQOSA-N 0 0 337.379 4.005 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN(C(=O)c2cnc(C(C)C)nc2C)C1 ZINC000082134558 563972546 /nfs/dbraw/zinc/97/25/46/563972546.db2.gz AVUUTDIXDTWKLZ-QGZVFWFLSA-N 0 0 337.467 4.237 50 0 EIAARN Cc1cc(N2CCC[C@H](c3nccn3C)C2)nc2cc(Cl)ccc12 ZINC000082166389 563972827 /nfs/dbraw/zinc/97/28/27/563972827.db2.gz NLHWUHJSGKHKPQ-AWEZNQCLSA-N 0 0 340.858 4.314 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000033278947 563972859 /nfs/dbraw/zinc/97/28/59/563972859.db2.gz DSODJQLFPWLYMX-UHFFFAOYSA-N 0 0 339.370 4.071 50 0 EIAARN CC(C)(C)N1CSC(=S)N(c2ccc(Br)cc2)C1 ZINC000033306249 563973376 /nfs/dbraw/zinc/97/33/76/563973376.db2.gz DQALTLMPXABAPD-UHFFFAOYSA-N 0 0 345.331 4.303 50 0 EIAARN O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CNc1ccccc1 ZINC000033318257 563973678 /nfs/dbraw/zinc/97/36/78/563973678.db2.gz HMWNIZVJJYDNBZ-DESBJYGPSA-N 0 0 336.416 4.349 50 0 EIAARN O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cccs1 ZINC000585147858 563974096 /nfs/dbraw/zinc/97/40/96/563974096.db2.gz DMNIJMPQFMPMRG-JTQLQIEISA-N 0 0 335.475 4.002 50 0 EIAARN CC(C)N(Cc1ccccc1)C(=O)NC(=O)c1ccc(Cl)cc1 ZINC000000081908 563974845 /nfs/dbraw/zinc/97/48/45/563974845.db2.gz QCAPVMOXVUFTCH-UHFFFAOYSA-N 0 0 330.815 4.100 50 0 EIAARN Cc1cnc(CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)o1 ZINC000072610458 563975023 /nfs/dbraw/zinc/97/50/23/563975023.db2.gz HSQSIZRMYSUSEW-UHFFFAOYSA-N 0 0 340.354 4.058 50 0 EIAARN COc1nc(C)c(C(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 ZINC000091364882 563975382 /nfs/dbraw/zinc/97/53/82/563975382.db2.gz MTLOHQJCXUUVFZ-MRXNPFEDSA-N 0 0 344.480 4.088 50 0 EIAARN O=C1N[C@H](c2ccccc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000000088357 563976408 /nfs/dbraw/zinc/97/64/08/563976408.db2.gz BVIPZHBRIXVNFK-CQSZACIVSA-N 0 0 339.445 4.122 50 0 EIAARN O=C(Oc1ccc2oc(=O)sc2c1)c1ccc(Cl)cc1Cl ZINC000000089522 563976456 /nfs/dbraw/zinc/97/64/56/563976456.db2.gz SYRHXBTXCSULKO-UHFFFAOYSA-N 0 0 341.171 4.381 50 0 biogenic EIAARN CC(C)(C)OC(=O)N1CC(Sc2ccc(Br)cc2)C1 ZINC000095495783 563977019 /nfs/dbraw/zinc/97/70/19/563977019.db2.gz QTVOGWJQEIOAJD-UHFFFAOYSA-N 0 0 344.274 4.161 50 0 EIAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)Nc1ccc3occc(=O)c3c1)C2 ZINC000095530966 563977537 /nfs/dbraw/zinc/97/75/37/563977537.db2.gz SVHJEMSHSCTFJN-JLTOFOAXSA-N 0 0 340.423 4.226 50 0 EIAARN Cc1cc2cccc(NC(=O)N3CCCC4(CCOCC4)C3)c2o1 ZINC000095531367 563977557 /nfs/dbraw/zinc/97/75/57/563977557.db2.gz FIARWXUOPFJDEG-UHFFFAOYSA-N 0 0 328.412 4.166 50 0 EIAARN O=C1C[C@H](c2cccs2)c2ncn(-c3ccc(Cl)cc3)c2N1 ZINC000095612554 563977578 /nfs/dbraw/zinc/97/75/78/563977578.db2.gz AAZPEQMBLBEXHB-GFCCVEGCSA-N 0 0 329.812 4.061 50 0 EIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1c(C)nn(CC)c1C ZINC000096138349 563979452 /nfs/dbraw/zinc/97/94/52/563979452.db2.gz MSHSBOQPIPJDFV-KRWDZBQOSA-N 0 0 343.475 4.310 50 0 EIAARN Cc1nc2cc(NC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)ccc2[nH]1 ZINC000096148175 563979563 /nfs/dbraw/zinc/97/95/63/563979563.db2.gz QFTNOSSVGWVKSY-AUUYWEPGSA-N 0 0 326.444 4.304 50 0 EIAARN Cc1nc2ccc(NC(=O)N[C@@H](c3ccccn3)C(C)C)cc2nc1C ZINC000096150448 563979632 /nfs/dbraw/zinc/97/96/32/563979632.db2.gz GRIFWFRTOWSXNN-LJQANCHMSA-N 0 0 349.438 4.160 50 0 EIAARN Cc1ccc(SCc2ccc(-c3nc([C@H]4CCOC4)no3)o2)cc1 ZINC000096151594 563979712 /nfs/dbraw/zinc/97/97/12/563979712.db2.gz TZCZFTNJLYZROQ-ZDUSSCGKSA-N 0 0 342.420 4.434 50 0 EIAARN Cc1nnc(-c2cccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)c2)o1 ZINC000072906191 563981183 /nfs/dbraw/zinc/98/11/83/563981183.db2.gz PNSDEEYSQQRVPW-KKXDTOCCSA-N 0 0 339.439 4.086 50 0 EIAARN Cc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1C ZINC000000098241 563981476 /nfs/dbraw/zinc/98/14/76/563981476.db2.gz FYPJJCBXJXVLRJ-UHFFFAOYSA-N 0 0 334.371 4.118 50 0 EIAARN Cc1cnc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C)C2CC2)cn1 ZINC000060867579 563983380 /nfs/dbraw/zinc/98/33/80/563983380.db2.gz GTGVBWDRRJBNGO-LBPRGKRZSA-N 0 0 349.356 4.249 50 0 EIAARN Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000000101472 563983834 /nfs/dbraw/zinc/98/38/34/563983834.db2.gz FIGAUOJAOQCJKR-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2ccccc2n1 ZINC000046507099 563983966 /nfs/dbraw/zinc/98/39/66/563983966.db2.gz WZFKGOBDQRCFCD-SFHVURJKSA-N 0 0 348.402 4.045 50 0 EIAARN CCc1ccc(Nc2cc(C)nc3nc(-c4ccccc4)nn32)cc1 ZINC000014610213 563986127 /nfs/dbraw/zinc/98/61/27/563986127.db2.gz PCGFWKQPJNWAEZ-UHFFFAOYSA-N 0 0 329.407 4.406 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1csc(C)n1 ZINC000072271602 563986260 /nfs/dbraw/zinc/98/62/60/563986260.db2.gz MCKSDBNGIKTBJZ-HZMBPMFUSA-N 0 0 335.498 4.293 50 0 EIAARN O=C(Nc1cc(Cl)cc(Cl)c1)C1SCSCS1 ZINC000000114528 563986617 /nfs/dbraw/zinc/98/66/17/563986617.db2.gz WNHGXQSCWSGUHY-UHFFFAOYSA-N 0 0 326.295 4.386 50 0 EIAARN CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000000110822 563986649 /nfs/dbraw/zinc/98/66/49/563986649.db2.gz UVRJQTZXCTVUQI-BXUZGUMPSA-N 0 0 343.398 4.330 50 0 EIAARN COCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1 ZINC000029212807 563987454 /nfs/dbraw/zinc/98/74/54/563987454.db2.gz LSAMICYCOXUQOR-VQHVLOKHSA-N 0 0 337.828 4.079 50 0 EIAARN Cc1ccccc1/C=C1\N=C(c2cccc(Br)c2)OC1=O ZINC000000176712 563987689 /nfs/dbraw/zinc/98/76/89/563987689.db2.gz AATRXFWJGKHHEN-GDNBJRDFSA-N 0 0 342.192 4.102 50 0 EIAARN CCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000000177061 563987700 /nfs/dbraw/zinc/98/77/00/563987700.db2.gz YTBUICOJEKMAPJ-WJDWOHSUSA-N 0 0 327.767 4.083 50 0 EIAARN COc1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 ZINC000000179141 563987782 /nfs/dbraw/zinc/98/77/82/563987782.db2.gz CAVWCHVBXOONDZ-UHFFFAOYSA-N 0 0 336.416 4.170 50 0 EIAARN COc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000000181071 563987872 /nfs/dbraw/zinc/98/78/72/563987872.db2.gz ROBNIFLSDLQFDX-UHFFFAOYSA-N 0 0 343.386 4.491 50 0 EIAARN CC(C)(C)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000000189391 563988017 /nfs/dbraw/zinc/98/80/17/563988017.db2.gz CZBBMRXKEXVSMA-UHFFFAOYSA-N 0 0 335.860 4.257 50 0 EIAARN CC(C)(C)n1nc2c(c1NC(=O)/C=C/c1ccccc1)CSC2 ZINC000000189397 563988023 /nfs/dbraw/zinc/98/80/23/563988023.db2.gz RPJMLRBTZUACAU-MDZDMXLPSA-N 0 0 327.453 4.037 50 0 EIAARN COc1cc(C2(c3ccc(N)c(OC)c3)CCCCC2)ccc1N ZINC000000217302 563988706 /nfs/dbraw/zinc/98/87/06/563988706.db2.gz FDEGVVJIAUSFKX-UHFFFAOYSA-N 0 0 326.440 4.118 50 0 EIAARN Cc1ccc(NC(=S)N2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000000216681 563988721 /nfs/dbraw/zinc/98/87/21/563988721.db2.gz JCYDQOZYOBYJEM-UHFFFAOYSA-N 0 0 345.899 4.121 50 0 EIAARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000000245859 563989239 /nfs/dbraw/zinc/98/92/39/563989239.db2.gz NHJDFYJMPSUXER-WYMLVPIESA-N 0 0 347.370 4.385 50 0 EIAARN CC[C@H](C(=O)Nc1cccc(OC)c1)n1cc(C=O)c2ccccc21 ZINC000000264190 563989822 /nfs/dbraw/zinc/98/98/22/563989822.db2.gz MBMNBXKHWWSXBR-GOSISDBHSA-N 0 0 336.391 4.052 50 0 EIAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)/C=C/c2ccco2)c1 ZINC000000277351 563990206 /nfs/dbraw/zinc/99/02/06/563990206.db2.gz UTRSBMOVGMUQSM-VAWYXSNFSA-N 0 0 346.386 4.492 50 0 EIAARN O=C(Oc1cccc(C(=S)N2CCCCC2)c1)c1ccccc1 ZINC000000306162 563990850 /nfs/dbraw/zinc/99/08/50/563990850.db2.gz PGUYKLLTACSXML-UHFFFAOYSA-N 0 0 325.433 4.067 50 0 EIAARN Nc1cc(NC(=O)c2cccc(Cl)c2)cc(Oc2cccnc2)c1 ZINC000000322678 563991194 /nfs/dbraw/zinc/99/11/94/563991194.db2.gz HMXKIYPXDUHHDA-UHFFFAOYSA-N 0 0 339.782 4.362 50 0 EIAARN CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(Br)cc2)C1 ZINC000115037097 563991275 /nfs/dbraw/zinc/99/12/75/563991275.db2.gz NFTKVQYDQFSNHQ-GFCCVEGCSA-N 0 0 326.234 4.174 50 0 EIAARN O=C(C1CCCC1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000000325207 563991252 /nfs/dbraw/zinc/99/12/52/563991252.db2.gz OLLDYZIQBZBSCD-OAHLLOKOSA-N 0 0 345.830 4.244 50 0 EIAARN CCN(CC)C(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000000347091 563991442 /nfs/dbraw/zinc/99/14/42/563991442.db2.gz GBAVRVDXVNXASU-UHFFFAOYSA-N 0 0 337.375 4.301 50 0 biogenic EIAARN Cc1ccc(CN2CCSc3ccc(C(=O)NC(C)C)cc32)cc1 ZINC000004908220 563992396 /nfs/dbraw/zinc/99/23/96/563992396.db2.gz YBSLXRUFWDYPHT-UHFFFAOYSA-N 0 0 340.492 4.246 50 0 EIAARN CC(=O)c1ccc(C(=O)N(CC(F)F)c2ccc(F)cc2)c(F)c1 ZINC000408514802 563992938 /nfs/dbraw/zinc/99/29/38/563992938.db2.gz HTVNPLCGVITGLE-UHFFFAOYSA-N 0 0 339.288 4.079 50 0 EIAARN Cc1sc(C(=O)[O-])cc1C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000408521819 563993206 /nfs/dbraw/zinc/99/32/06/563993206.db2.gz KIUVEULBXKTGFZ-ABAIWWIYSA-N 0 0 333.428 4.272 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)n1 ZINC000257365265 563993307 /nfs/dbraw/zinc/99/33/07/563993307.db2.gz XRKSPDTYAZJJOC-BBWFWOEESA-N 0 0 344.455 4.448 50 0 EIAARN S=C(SCc1csc(-c2ccsc2)n1)N1CCCC1 ZINC000061399711 563994134 /nfs/dbraw/zinc/99/41/34/563994134.db2.gz YLGOACJJYICZSH-UHFFFAOYSA-N 0 0 326.537 4.486 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1nc(-c2ccc3c(c2)COC3)cs1 ZINC000061340536 563993961 /nfs/dbraw/zinc/99/39/61/563993961.db2.gz IXJIXADGMGHAPG-AATRIKPKSA-N 0 0 338.388 4.085 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1C ZINC000005133491 563994525 /nfs/dbraw/zinc/99/45/25/563994525.db2.gz GMKUOOVBEVUHHY-UHFFFAOYSA-N 0 0 341.436 4.016 50 0 EIAARN CCN(C(=O)c1ccccc1-n1cccn1)c1nc2ccccc2s1 ZINC000044339530 563995084 /nfs/dbraw/zinc/99/50/84/563995084.db2.gz AWGLYYOZWRMIJS-UHFFFAOYSA-N 0 0 348.431 4.149 50 0 EIAARN CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000005156709 563995106 /nfs/dbraw/zinc/99/51/06/563995106.db2.gz ZNGTWDNQCSGOSR-UHFFFAOYSA-N 0 0 348.446 4.098 50 0 EIAARN Cc1cc(C(=O)N(Cc2ccsc2)Cc2ccccn2)c(C)o1 ZINC000044445940 563995516 /nfs/dbraw/zinc/99/55/16/563995516.db2.gz ITMWIVZYKIXQPV-UHFFFAOYSA-N 0 0 326.421 4.196 50 0 EIAARN Cc1sc2nc([C@H](C)Sc3nccn3C3CC3)nc(N)c2c1C ZINC000073395919 563995547 /nfs/dbraw/zinc/99/55/47/563995547.db2.gz BBENNHHSJIMACE-JTQLQIEISA-N 0 0 345.497 4.275 50 0 EIAARN COc1ccc(Nc2nc(C)nc3c4ccccc4oc32)c(OC)c1 ZINC000005159148 563995587 /nfs/dbraw/zinc/99/55/87/563995587.db2.gz CRRSHQYBJWFELQ-UHFFFAOYSA-N 0 0 335.363 4.445 50 0 EIAARN Cc1[nH]c2ccccc2c1CC(=O)NCC1(c2ccccc2F)CC1 ZINC000126635427 563995727 /nfs/dbraw/zinc/99/57/27/563995727.db2.gz WPSUGCDXDJVLTL-UHFFFAOYSA-N 0 0 336.410 4.006 50 0 EIAARN COCC1(CNC(=O)c2ccc(-c3ccc4cc[nH]c4c3)cc2)CCC1 ZINC000426489335 563995831 /nfs/dbraw/zinc/99/58/31/563995831.db2.gz IBHVJKQIJUHWLE-UHFFFAOYSA-N 0 0 348.446 4.381 50 0 EIAARN CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000127876680 563996031 /nfs/dbraw/zinc/99/60/31/563996031.db2.gz KLKCPMLNKXCYQH-HNNXBMFYSA-N 0 0 345.468 4.066 50 0 EIAARN CN(C(=O)c1ccc(C2N=NC(=S)O2)cc1)C1CCC(C)(C)CC1 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Cc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C ZINC000005164480 563996585 /nfs/dbraw/zinc/99/65/85/563996585.db2.gz AWCMRVVDUGXYJZ-XSEIIIHRSA-N 0 0 332.447 4.022 50 0 EIAARN CCc1cnc(CN(C)C(=O)Nc2ccc(C3CC3)c(F)c2)s1 ZINC000252495465 563997825 /nfs/dbraw/zinc/99/78/25/563997825.db2.gz OQVUJGNIJONHKJ-UHFFFAOYSA-N 0 0 333.432 4.386 50 0 EIAARN O=C1N[C@@H](c2ccccc2)Nc2c3cc4c(nc3sc21)CCCC4 ZINC000000202891 563997891 /nfs/dbraw/zinc/99/78/91/563997891.db2.gz JHMVTWZEQJYLKL-KRWDZBQOSA-N 0 0 335.432 4.029 50 0 EIAARN COc1ccc2[nH]c(SCC(=O)c3cc(C)sc3C)nc2c1 ZINC000005165324 563997999 /nfs/dbraw/zinc/99/79/99/563997999.db2.gz UEOUMBGJHKKNKV-UHFFFAOYSA-N 0 0 332.450 4.225 50 0 EIAARN Cc1ccc(N=c2oc3c(Cl)cc(Cl)cc3cc2C(N)=O)cc1 ZINC000252673676 563998061 /nfs/dbraw/zinc/99/80/61/563998061.db2.gz RIYXWBTVPJUSRL-UHFFFAOYSA-N 0 0 347.201 4.379 50 0 EIAARN COc1ccc2cc3cc(C(=O)NC4CCCC4)sc3nc2c1 ZINC000000417625 563998167 /nfs/dbraw/zinc/99/81/67/563998167.db2.gz QDEYXNVZAFLLPT-UHFFFAOYSA-N 0 0 326.421 4.131 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PKZVXEHVVYYMDZ-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN CCN(c1cccc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000001035127 564012972 /nfs/dbraw/zinc/01/29/72/564012972.db2.gz YXUHUYVUNMRELD-UHFFFAOYSA-N 0 0 329.396 4.194 50 0 EIAARN Cc1ccccc1NC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000016552180 564013293 /nfs/dbraw/zinc/01/32/93/564013293.db2.gz YOUXMZPLJGUHTR-UHFFFAOYSA-N 0 0 337.423 4.265 50 0 EIAARN Cc1ccc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc(-c3ccccc3)c2c1 ZINC000017968549 564013477 /nfs/dbraw/zinc/01/34/77/564013477.db2.gz MPNKLIBDSNULSX-IYBDPMFKSA-N 0 0 333.435 4.219 50 0 EIAARN C[C@@H](Sc1nncn1-c1ccccc1)c1ncc(C(C)(C)C)o1 ZINC000177170215 564013786 /nfs/dbraw/zinc/01/37/86/564013786.db2.gz HUXDAJANNZSPLE-GFCCVEGCSA-N 0 0 328.441 4.406 50 0 EIAARN O=C(Cc1noc(-c2cccc(Cl)c2)n1)Nc1cccc(Cl)c1 ZINC000016579466 564014539 /nfs/dbraw/zinc/01/45/39/564014539.db2.gz VRVPEVRHSSAMGP-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1cccc(Cl)c1 ZINC000585147991 564014765 /nfs/dbraw/zinc/01/47/65/564014765.db2.gz LOZCZJGCNWGCLR-KRWDZBQOSA-N 0 0 341.794 4.063 50 0 EIAARN COc1ccccc1-c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000018007796 564014868 /nfs/dbraw/zinc/01/48/68/564014868.db2.gz IYZYDCQGMHKCIM-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN CC1(C)C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CO1 ZINC000333142755 564015633 /nfs/dbraw/zinc/01/56/33/564015633.db2.gz DFUFBINFLWWPJR-KRWDZBQOSA-N 0 0 331.460 4.074 50 0 EIAARN Cc1cc([C@H](C)NC(=O)N(C)C[C@H](C)c2nccs2)c(C)s1 ZINC000182169394 564017291 /nfs/dbraw/zinc/01/72/91/564017291.db2.gz FLQDGWXUZZOPKL-JQWIXIFHSA-N 0 0 337.514 4.328 50 0 EIAARN Cc1ccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000000494641 564017874 /nfs/dbraw/zinc/01/78/74/564017874.db2.gz WIRJNNURCZBGRV-OAHLLOKOSA-N 0 0 327.811 4.079 50 0 EIAARN Cc1ccc(OCCSc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000005676754 564018088 /nfs/dbraw/zinc/01/80/88/564018088.db2.gz URGCEZAYHAXQFW-UHFFFAOYSA-N 0 0 329.400 4.090 50 0 EIAARN CCCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OCC)no1 ZINC000000498686 564018285 /nfs/dbraw/zinc/01/82/85/564018285.db2.gz RJRCNDIJQZQHCV-UHFFFAOYSA-N 0 0 339.395 4.158 50 0 EIAARN O=C(COc1ccc2ccccc2c1)OCc1cc(-c2ccco2)on1 ZINC000018247119 564018958 /nfs/dbraw/zinc/01/89/58/564018958.db2.gz XWBOFRQEQMIYIL-UHFFFAOYSA-N 0 0 349.342 4.210 50 0 EIAARN C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1cccc(Cl)c1 ZINC000018264501 564019034 /nfs/dbraw/zinc/01/90/34/564019034.db2.gz RKBAQWSJYCZYND-GFCCVEGCSA-N 0 0 341.794 4.178 50 0 EIAARN Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(N3CC=CC3)c2)cc1 ZINC000101442183 564019448 /nfs/dbraw/zinc/01/94/48/564019448.db2.gz CQWVZTNMCIGHBU-UHFFFAOYSA-N 0 0 344.462 4.051 50 0 EIAARN Cc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000102166815 564019921 /nfs/dbraw/zinc/01/99/21/564019921.db2.gz JVSNEQVFZFOPEO-QILLFSRXSA-N 0 0 332.440 4.156 50 0 EIAARN Cc1cc(C)n([C@@H]2CCCC[C@H]2OC(=O)CCc2ccccc2)n1 ZINC000000521957 564021091 /nfs/dbraw/zinc/02/10/91/564021091.db2.gz QQKZHLKZHQGJCS-RTBURBONSA-N 0 0 326.440 4.160 50 0 EIAARN CCCn1c2ccccc2nc1NCc1cccc(OC)c1OC ZINC000000532849 564021617 /nfs/dbraw/zinc/02/16/17/564021617.db2.gz VWXJJHHWVHTADZ-UHFFFAOYSA-N 0 0 325.412 4.076 50 0 EIAARN Clc1cccc(CNc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000000535872 564022097 /nfs/dbraw/zinc/02/20/97/564022097.db2.gz GCIPYEUVGUOZRQ-UHFFFAOYSA-N 0 0 335.798 4.081 50 0 EIAARN O=C(Nc1nnc(SCc2ccccc2)s1)Nc1ccccc1 ZINC000000550161 564022880 /nfs/dbraw/zinc/02/28/80/564022880.db2.gz CQLXPDBVWCALGF-UHFFFAOYSA-N 0 0 342.449 4.474 50 0 EIAARN O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000046722312 564022943 /nfs/dbraw/zinc/02/29/43/564022943.db2.gz MVWMPRLNZBHMPC-QZTJIDSGSA-N 0 0 349.365 4.150 50 0 EIAARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)NCc1ccccc1 ZINC000000557430 564023173 /nfs/dbraw/zinc/02/31/73/564023173.db2.gz UPWYSIKHDYTCFE-BQYQJAHWSA-N 0 0 336.218 4.332 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2ccc(Cl)cc2)c1C ZINC000000568499 564023526 /nfs/dbraw/zinc/02/35/26/564023526.db2.gz KYSMTKTVZZVNAT-UHFFFAOYSA-N 0 0 335.791 4.106 50 0 EIAARN Cc1ccc2c(c1)c1c(n2C[C@H](O)CNc2ccccc2)CCCC1 ZINC000000571473 564023704 /nfs/dbraw/zinc/02/37/04/564023704.db2.gz VUIDSLGOAMDLLG-GOSISDBHSA-N 0 0 334.463 4.302 50 0 EIAARN Cc1c(NC(=O)/C=C/c2ccco2)cccc1-c1nc2ncccc2o1 ZINC000000578845 564024310 /nfs/dbraw/zinc/02/43/10/564024310.db2.gz GRYUKXSSVAECIN-MDZDMXLPSA-N 0 0 345.358 4.443 50 0 EIAARN CC(=O)Oc1ccc(C)c2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 ZINC000105364650 564025107 /nfs/dbraw/zinc/02/51/07/564025107.db2.gz RNKRHMVSDHMQGT-VWXURSGXSA-N 0 0 326.436 4.346 50 0 biogenic EIAARN COC(=O)c1c(Nc2ccc(C)cc2)onc1-c1ccc(F)cc1 ZINC000046914486 564025587 /nfs/dbraw/zinc/02/55/87/564025587.db2.gz VHPYXZRMDLOJAN-UHFFFAOYSA-N 0 0 326.327 4.319 50 0 EIAARN Cc1noc(C)c1CNc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000047272918 564026054 /nfs/dbraw/zinc/02/60/54/564026054.db2.gz BESUQPSVPWICLZ-UHFFFAOYSA-N 0 0 347.846 4.183 50 0 EIAARN CC(C)NC(=O)Nc1ccccc1NC(=O)Cc1ccccc1Cl ZINC000047375550 564026185 /nfs/dbraw/zinc/02/61/85/564026185.db2.gz NEEGRKONVLHSSI-UHFFFAOYSA-N 0 0 345.830 4.051 50 0 EIAARN CC(=O)c1csc(C(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000106605839 564026534 /nfs/dbraw/zinc/02/65/34/564026534.db2.gz AUBPAYUHPFRVPT-UHFFFAOYSA-N 0 0 343.326 4.144 50 0 EIAARN O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000107490556 564026945 /nfs/dbraw/zinc/02/69/45/564026945.db2.gz JXWHJJPHFGLNHC-OPRDCNLKSA-N 0 0 348.394 4.037 50 0 EIAARN COCc1ccccc1NC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000044551028 564027047 /nfs/dbraw/zinc/02/70/47/564027047.db2.gz DWNDHFYYLDPILN-UHFFFAOYSA-N 0 0 342.420 4.039 50 0 EIAARN O=C(Nc1cccnc1N1CCCC1)N1CCC[C@H]1c1ccsc1 ZINC000044952025 564027856 /nfs/dbraw/zinc/02/78/56/564027856.db2.gz BQKPRYZTPACPOY-INIZCTEOSA-N 0 0 342.468 4.112 50 0 EIAARN COc1ccccc1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000045152727 564028189 /nfs/dbraw/zinc/02/81/89/564028189.db2.gz NXIUTVHKNUBWBN-KRWDZBQOSA-N 0 0 329.827 4.255 50 0 EIAARN COc1ccc(/C=C\n2c3ccc(F)cc3c3c2CCN(C)C3)cc1 ZINC000045350654 564028410 /nfs/dbraw/zinc/02/84/10/564028410.db2.gz KUBYGLRWOGNROT-XFXZXTDPSA-N 0 0 336.410 4.405 50 0 EIAARN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000045418312 564028442 /nfs/dbraw/zinc/02/84/42/564028442.db2.gz RXILGNXEBOJPBQ-LBPRGKRZSA-N 0 0 340.810 4.015 50 0 EIAARN CCN(C(=O)c1cccc(N2CCCC2=O)c1)c1cc(C)ccc1C ZINC000045517350 564028515 /nfs/dbraw/zinc/02/85/15/564028515.db2.gz VCDRRBBVELFLHK-UHFFFAOYSA-N 0 0 336.435 4.097 50 0 EIAARN Cc1cc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n(C(C)(C)C)n1 ZINC000045785130 564028683 /nfs/dbraw/zinc/02/86/83/564028683.db2.gz NNBRYZDAKQSYBH-UHFFFAOYSA-N 0 0 345.491 4.274 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)c1cnn(-c2ccccc2)c1 ZINC000045941225 564028915 /nfs/dbraw/zinc/02/89/15/564028915.db2.gz DIZLNKYYTLHJJP-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN CC1(C)N=C(c2ccc(Cl)cc2)C(=S)N1C(=O)c1ccccc1 ZINC000045932628 564028937 /nfs/dbraw/zinc/02/89/37/564028937.db2.gz JPIDAHBYIOLLAH-UHFFFAOYSA-N 0 0 342.851 4.349 50 0 EIAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)cc1 ZINC000045943282 564028991 /nfs/dbraw/zinc/02/89/91/564028991.db2.gz KAHOKAIYQNKRAR-UHFFFAOYSA-N 0 0 346.358 4.351 50 0 EIAARN COc1ccccc1[C@H]1C[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000109536969 564029418 /nfs/dbraw/zinc/02/94/18/564029418.db2.gz KLBZFDXRRPJORR-CHWSQXEVSA-N 0 0 328.318 4.295 50 0 EIAARN CC(C)N(Cc1nc(-c2ccco2)no1)Cc1cccc(Cl)c1 ZINC000047959208 564029871 /nfs/dbraw/zinc/02/98/71/564029871.db2.gz RGUTURFKNBEKGR-UHFFFAOYSA-N 0 0 331.803 4.394 50 0 EIAARN C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(F)c(F)c1 ZINC000048150218 564030010 /nfs/dbraw/zinc/03/00/10/564030010.db2.gz QRSBZSXUKYOVHO-GFCCVEGCSA-N 0 0 342.349 4.033 50 0 EIAARN Cc1cc(CN(C)C(=O)c2ccc3noc(-c4ccccc4)c3c2)no1 ZINC000048156929 564030014 /nfs/dbraw/zinc/03/00/14/564030014.db2.gz OVAWSDCWDWWVHX-UHFFFAOYSA-N 0 0 347.374 4.063 50 0 EIAARN CC(=O)Nc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)oc2C)c1 ZINC000048234906 564030131 /nfs/dbraw/zinc/03/01/31/564030131.db2.gz HFWJCINAMZSSMM-UHFFFAOYSA-N 0 0 349.390 4.169 50 0 EIAARN CN(CCOc1ccccc1F)c1ncnc2c3ccccc3oc21 ZINC000048235089 564030132 /nfs/dbraw/zinc/03/01/32/564030132.db2.gz HJCQCZYULIDYPO-UHFFFAOYSA-N 0 0 337.354 4.030 50 0 EIAARN FC(F)(F)c1ccccc1CN(Cc1nnsc1Cl)C1CC1 ZINC000048251726 564030462 /nfs/dbraw/zinc/03/04/62/564030462.db2.gz RZZBDSCDSGTWSW-UHFFFAOYSA-N 0 0 347.793 4.375 50 0 EIAARN CCOc1cc2ccccc2cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000048289492 564030542 /nfs/dbraw/zinc/03/05/42/564030542.db2.gz QGWITUNOVYJTKH-IBGZPJMESA-N 0 0 347.414 4.492 50 0 EIAARN COc1ccc([C@@H]2CCCN2Cc2ncc(C(C)(C)C)o2)cc1OC ZINC000048290985 564030559 /nfs/dbraw/zinc/03/05/59/564030559.db2.gz BVUXYJWDWMQBBT-HNNXBMFYSA-N 0 0 344.455 4.326 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000048277337 564030646 /nfs/dbraw/zinc/03/06/46/564030646.db2.gz UYCGHNQMUYZFRF-UHFFFAOYSA-N 0 0 337.398 4.256 50 0 EIAARN Cc1nc2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc2nc1C ZINC000048303769 564030732 /nfs/dbraw/zinc/03/07/32/564030732.db2.gz FYWBYWZPCCNLDF-SJKOYZFVSA-N 0 0 349.434 4.235 50 0 EIAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1cccc2cccnc21 ZINC000048299413 564030802 /nfs/dbraw/zinc/03/08/02/564030802.db2.gz CSLYMEMJXWKZBJ-UHFFFAOYSA-N 0 0 348.490 4.452 50 0 EIAARN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000048301566 564030813 /nfs/dbraw/zinc/03/08/13/564030813.db2.gz ZPKAJNGDUNZWFP-HUUCEWRRSA-N 0 0 328.437 4.118 50 0 EIAARN O=C(NCC1(c2ccccc2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000048302863 564030870 /nfs/dbraw/zinc/03/08/70/564030870.db2.gz LHQFVVAWQBSISA-UHFFFAOYSA-N 0 0 332.350 4.141 50 0 EIAARN CC(=O)c1ccc(SCC(=O)NCCC2=CCCCC2)c(F)c1 ZINC000048324484 564030965 /nfs/dbraw/zinc/03/09/65/564030965.db2.gz JBLNAQSSGDIMRR-UHFFFAOYSA-N 0 0 335.444 4.127 50 0 EIAARN Cc1cc(NC(=O)N[C@@H](C)c2ccccn2)ccc1Br ZINC000048333977 564031123 /nfs/dbraw/zinc/03/11/23/564031123.db2.gz SRLNQIUAXSUZOV-NSHDSACASA-N 0 0 334.217 4.035 50 0 EIAARN COc1cc(CNC(=O)c2ccc(C)s2)ccc1OC1CCCC1 ZINC000048332185 564031151 /nfs/dbraw/zinc/03/11/51/564031151.db2.gz HHCWTXDDZNWWBU-UHFFFAOYSA-N 0 0 345.464 4.317 50 0 EIAARN COc1cc([C@@H](C)NC(=O)c2occc2C)ccc1OC1CCCC1 ZINC000048340468 564031188 /nfs/dbraw/zinc/03/11/88/564031188.db2.gz UAMDIRRDFCXQOC-CQSZACIVSA-N 0 0 343.423 4.409 50 0 EIAARN Cc1csc(CNC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000048342133 564031223 /nfs/dbraw/zinc/03/12/23/564031223.db2.gz OTFXJRRFQILWHE-NHYWBVRUSA-N 0 0 345.468 4.042 50 0 EIAARN Cc1nc(CNC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cs1 ZINC000048341341 564031241 /nfs/dbraw/zinc/03/12/41/564031241.db2.gz XXGPYCIOZDISEH-BDJLRTHQSA-N 0 0 345.468 4.042 50 0 EIAARN CC(C)c1nc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000048354314 564031329 /nfs/dbraw/zinc/03/13/29/564031329.db2.gz FRWNDUHUMKUVJA-CQSZACIVSA-N 0 0 341.484 4.040 50 0 EIAARN COCCc1nc(-c2cc(C)n(-c3nc(C)cs3)c2C)cs1 ZINC000048354788 564031338 /nfs/dbraw/zinc/03/13/38/564031338.db2.gz GPFXFXAQVWHXRR-UHFFFAOYSA-N 0 0 333.482 4.171 50 0 EIAARN O=C(CS[C@@H]1CCCc2ccccc21)N1CCc2ccccc2C1 ZINC000048355791 564031458 /nfs/dbraw/zinc/03/14/58/564031458.db2.gz IZQJJDWNQQLCKK-HXUWFJFHSA-N 0 0 337.488 4.382 50 0 EIAARN COc1c(C)cnc(CN(C)C(=O)Nc2cccc(SC)c2)c1C ZINC000058601303 564031885 /nfs/dbraw/zinc/03/18/85/564031885.db2.gz NHDBDFNZTBGORA-UHFFFAOYSA-N 0 0 345.468 4.093 50 0 EIAARN O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccsc2)o1 ZINC000049029162 564032444 /nfs/dbraw/zinc/03/24/44/564032444.db2.gz NOJNBJUCBSDVTE-UHFFFAOYSA-N 0 0 349.412 4.058 50 0 EIAARN CCn1c2cc(C)ccc2c(C[NH2+]C2CCC(C)CC2)c1C(=O)[O-] ZINC000006795330 564033568 /nfs/dbraw/zinc/03/35/68/564033568.db2.gz IRUGLMOBTWRLGR-UHFFFAOYSA-N 0 0 328.456 4.336 50 0 EIAARN Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)cnn1-c1ccc(C)cc1 ZINC000024772809 564033660 /nfs/dbraw/zinc/03/36/60/564033660.db2.gz IBOIECPBOMRUNG-CQSZACIVSA-N 0 0 337.398 4.119 50 0 EIAARN CCCCCC[C@@H](C)NC(=O)CSc1ncnc2ccccc21 ZINC000007151922 564034158 /nfs/dbraw/zinc/03/41/58/564034158.db2.gz DRTLTCHSXRLCEE-CQSZACIVSA-N 0 0 331.485 4.197 50 0 EIAARN COc1ccc(/C=C/C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000007779163 564034498 /nfs/dbraw/zinc/03/44/98/564034498.db2.gz PVQJGDPXLGSSPE-VGMNTSGFSA-N 0 0 325.433 4.062 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2cccc(Br)c2)N1C1CC1 ZINC000007886287 564034515 /nfs/dbraw/zinc/03/45/15/564034515.db2.gz QKUWOGOLEUBRFD-MRXNPFEDSA-N 0 0 343.224 4.178 50 0 EIAARN Cc1ccc(C)n1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000604419331 564034870 /nfs/dbraw/zinc/03/48/70/564034870.db2.gz UEGCTMNBPMONQZ-INIZCTEOSA-N 0 0 339.464 4.078 50 0 EIAARN CC(=O)Oc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1 ZINC000000813375 564034928 /nfs/dbraw/zinc/03/49/28/564034928.db2.gz YWLPLYMUDUAYAV-UHFFFAOYSA-N 0 0 325.393 4.182 50 0 EIAARN CC(=O)Nc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 ZINC000000818080 564034992 /nfs/dbraw/zinc/03/49/92/564034992.db2.gz BHGTYOMWDAPTQC-OAQYLSRUSA-N 0 0 346.434 4.406 50 0 EIAARN Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C)nc1 ZINC000000826035 564035433 /nfs/dbraw/zinc/03/54/33/564035433.db2.gz JAAHDSXYYLQDAA-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000058121828 564035450 /nfs/dbraw/zinc/03/54/50/564035450.db2.gz RPZIYOZJKZFRQS-OAHLLOKOSA-N 0 0 329.399 4.186 50 0 EIAARN CC[C@@H]1CN(Cc2ccc(O)c(Cl)c2)Cc2cc(OC)ccc2O1 ZINC000014973935 564035753 /nfs/dbraw/zinc/03/57/53/564035753.db2.gz FSIUEYRBRPIHOA-OAHLLOKOSA-N 0 0 347.842 4.227 50 0 EIAARN CC1=C(CCN2CCn3nc([C@H](O)C4CC4)cc3C2)C(C)(C)CCC1 ZINC000221379641 564036188 /nfs/dbraw/zinc/03/61/88/564036188.db2.gz MNRYTKBCZBGZAH-HXUWFJFHSA-N 0 0 343.515 4.059 50 0 EIAARN CCN(C(=O)/C=C/c1ccc(F)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000032800905 564036234 /nfs/dbraw/zinc/03/62/34/564036234.db2.gz MNUDFXZGXPUDBB-VOMSXAGXSA-N 0 0 327.399 4.457 50 0 EIAARN Cc1cccc(C[C@@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)n1 ZINC000221436874 564036235 /nfs/dbraw/zinc/03/62/35/564036235.db2.gz XBLXMEGFFYOKRN-OAHLLOKOSA-N 0 0 336.391 4.136 50 0 EIAARN COc1ccccc1NC(=O)COC(c1ccccc1)c1ccccc1 ZINC000032892135 564036255 /nfs/dbraw/zinc/03/62/55/564036255.db2.gz BVPVXDOIGJHXKF-UHFFFAOYSA-N 0 0 347.414 4.440 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1ncoc1-c1ccc(C)o1 ZINC000033049069 564036401 /nfs/dbraw/zinc/03/64/01/564036401.db2.gz GKLZOVQVFBFIAS-UHFFFAOYSA-N 0 0 332.743 4.157 50 0 EIAARN CC[C@@H](C)NC(=O)Nc1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000032996466 564036418 /nfs/dbraw/zinc/03/64/18/564036418.db2.gz XPTXZWITNOOMOO-LLVKDONJSA-N 0 0 342.424 4.385 50 0 EIAARN Cc1nc2cc(NC(=O)CCCc3nc4ccccc4o3)ccc2o1 ZINC000033229920 564036522 /nfs/dbraw/zinc/03/65/22/564036522.db2.gz CIJQCWRXQPRWIM-UHFFFAOYSA-N 0 0 335.363 4.239 50 0 EIAARN O=C(CSC(F)(F)F)Nc1nc(-c2cccc(F)c2)cs1 ZINC000033161530 564036570 /nfs/dbraw/zinc/03/65/70/564036570.db2.gz LYCWYJVFBPSLLF-UHFFFAOYSA-N 0 0 336.335 4.141 50 0 EIAARN C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 ZINC000024807894 564036695 /nfs/dbraw/zinc/03/66/95/564036695.db2.gz ALAQHBOVNLNLBQ-VXGBXAGGSA-N 0 0 343.298 4.481 50 0 EIAARN CCCOc1ccccc1NC(=O)c1cccc(Nc2ncccn2)c1 ZINC000024861974 564036742 /nfs/dbraw/zinc/03/67/42/564036742.db2.gz VFLPWKUOSWSGHW-UHFFFAOYSA-N 0 0 348.406 4.261 50 0 EIAARN CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000222204563 564036754 /nfs/dbraw/zinc/03/67/54/564036754.db2.gz HDQJQWKFHNGHRA-WBAXXEDZSA-N 0 0 348.487 4.125 50 0 EIAARN CC[C@H](NC(=O)c1ccccc1OC(F)F)c1nc(C)c(C)s1 ZINC000222925630 564038400 /nfs/dbraw/zinc/03/84/00/564038400.db2.gz RCMVJNVDDKVTLZ-LBPRGKRZSA-N 0 0 340.395 4.242 50 0 EIAARN Cc1cc([C@@H]2CCCCN2C(=O)CCCOCc2ccccc2)no1 ZINC000223084996 564038905 /nfs/dbraw/zinc/03/89/05/564038905.db2.gz WPDHTOXAGBARHZ-IBGZPJMESA-N 0 0 342.439 4.034 50 0 EIAARN CC(C)Sc1ccc(Cl)cc1NC(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000225611173 564048350 /nfs/dbraw/zinc/04/83/50/564048350.db2.gz OPNICSCHHDIKLB-FZMZJTMJSA-N 0 0 342.892 4.075 50 0 EIAARN O=C(c1ccc(C2SCCS2)cc1)N1CCOc2ccccc21 ZINC000030577508 564049718 /nfs/dbraw/zinc/04/97/18/564049718.db2.gz BDPIUUNXWHXIRF-UHFFFAOYSA-N 0 0 343.473 4.204 50 0 EIAARN Cc1ncsc1C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000241144890 564051860 /nfs/dbraw/zinc/05/18/60/564051860.db2.gz JTYOGXVKRYBLHR-UHFFFAOYSA-N 0 0 349.612 4.259 50 0 EIAARN CSc1ccccc1[C@@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000241316929 564051970 /nfs/dbraw/zinc/05/19/70/564051970.db2.gz LWDMZHHRIAKWOH-GFCCVEGCSA-N 0 0 338.432 4.153 50 0 EIAARN Cc1nnc([C@@H](C)N2CCC(Oc3ccc(C)c(C)c3)CC2)s1 ZINC000241338661 564051980 /nfs/dbraw/zinc/05/19/80/564051980.db2.gz MCVKBSHGJBSYKP-CQSZACIVSA-N 0 0 331.485 4.068 50 0 EIAARN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cccnc2)ccc1F ZINC000252517702 564053606 /nfs/dbraw/zinc/05/36/06/564053606.db2.gz PAAHHPPGEVDRJE-REPLKXPHSA-N 0 0 338.426 4.009 50 0 EIAARN CC(C)(C)OC(=O)N(Cc1cc(F)cc(Br)c1)C1CC1 ZINC000382677788 564053711 /nfs/dbraw/zinc/05/37/11/564053711.db2.gz ZRPBTQDUAREUAF-UHFFFAOYSA-N 0 0 344.224 4.488 50 0 EIAARN CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000001000662 564053960 /nfs/dbraw/zinc/05/39/60/564053960.db2.gz JWSSZIITTSORQT-UHFFFAOYSA-N 0 0 339.420 4.108 50 0 EIAARN Cc1cccc(-n2cccc2/C=C2\SC(=O)N(C(C)C)C2=O)c1 ZINC000001018393 564054046 /nfs/dbraw/zinc/05/40/46/564054046.db2.gz OMJYIRAEXFBXAF-WJDWOHSUSA-N 0 0 326.421 4.230 50 0 EIAARN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025372602 564054181 /nfs/dbraw/zinc/05/41/81/564054181.db2.gz GWRLKCGDVRLDBU-INIZCTEOSA-N 0 0 339.819 4.005 50 0 EIAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C ZINC000001100879 564054379 /nfs/dbraw/zinc/05/43/79/564054379.db2.gz YEBZKFCQVHPYAK-UHFFFAOYSA-N 0 0 346.477 4.331 50 0 EIAARN C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003291662 564059101 /nfs/dbraw/zinc/05/91/01/564059101.db2.gz DIZHHYODHRKTPJ-SNVBAGLBSA-N 0 0 344.238 4.444 50 0 EIAARN CCc1ccc(NC(=O)c2nc(C)n(-c3cccc(Cl)c3)n2)cc1 ZINC000261490581 564056120 /nfs/dbraw/zinc/05/61/20/564056120.db2.gz LIBVJZPDLYLBGR-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN COc1ccc(N2C[C@H](c3nc4cc(Cl)ccc4o3)CC2=O)cc1 ZINC000082087153 564056198 /nfs/dbraw/zinc/05/61/98/564056198.db2.gz MEQOFQDBQOWYRO-LLVKDONJSA-N 0 0 342.782 4.010 50 0 EIAARN O=C(c1ccc(Br)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000001192005 564056365 /nfs/dbraw/zinc/05/63/65/564056365.db2.gz OLAPHVAMBPXOKK-OAHLLOKOSA-N 0 0 330.225 4.079 50 0 EIAARN CSc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc32)s1 ZINC000005872072 564056750 /nfs/dbraw/zinc/05/67/50/564056750.db2.gz OLODDQGZDFROJS-QMMMGPOBSA-N 0 0 335.479 4.105 50 0 EIAARN CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000005903972 564056911 /nfs/dbraw/zinc/05/69/11/564056911.db2.gz YACHTQUDVMUUBC-UHFFFAOYSA-N 0 0 340.467 4.298 50 0 EIAARN FC(F)(F)c1ccccc1[C@@H](NCc1ccccn1)C(F)(F)F ZINC000183346941 564057053 /nfs/dbraw/zinc/05/70/53/564057053.db2.gz XTZYTWOJEIPWMT-CYBMUJFWSA-N 0 0 334.263 4.494 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccccc2)o1 ZINC000005958813 564057312 /nfs/dbraw/zinc/05/73/12/564057312.db2.gz BDUIPDWOGAOJIR-UHFFFAOYSA-N 0 0 348.402 4.113 50 0 EIAARN COc1ccc(NC(C)=O)c(NCc2ccccc2C(F)(F)F)c1 ZINC000063468921 564057579 /nfs/dbraw/zinc/05/75/79/564057579.db2.gz SEVMQAPGTBFJHI-UHFFFAOYSA-N 0 0 338.329 4.285 50 0 EIAARN Cc1nc(C)c(C(=O)Nc2nc(-c3ccccc3)c(C)s2)s1 ZINC000007995448 564057624 /nfs/dbraw/zinc/05/76/24/564057624.db2.gz WZCXMHISUSJOJC-UHFFFAOYSA-N 0 0 329.450 4.444 50 0 EIAARN Fc1cc2cccnc2c(CSc2nnc(-c3ccc[nH]3)o2)c1 ZINC000031617825 564057810 /nfs/dbraw/zinc/05/78/10/564057810.db2.gz GBKYDSGKEPCBSS-UHFFFAOYSA-N 0 0 326.356 4.044 50 0 EIAARN Clc1ccc(CSc2nnnn2C2CCCC2)c2ncccc12 ZINC000031654321 564057893 /nfs/dbraw/zinc/05/78/93/564057893.db2.gz VQNVYJUVODKJDY-UHFFFAOYSA-N 0 0 345.859 4.282 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccc(O)cc1 ZINC000041677257 564057996 /nfs/dbraw/zinc/05/79/96/564057996.db2.gz NFNRCLLLIBMWGE-UHFFFAOYSA-N 0 0 344.461 4.158 50 0 EIAARN COc1ccc2c(C)cc(SCC(=O)N3CCCC[C@@H]3C)nc2c1 ZINC000012533649 564058336 /nfs/dbraw/zinc/05/83/36/564058336.db2.gz KBKTWYFBDXTFHV-AWEZNQCLSA-N 0 0 344.480 4.045 50 0 EIAARN CSCCCNC(=O)c1cccc(-c2cnc(C(C)C)s2)c1 ZINC000534656714 564061482 /nfs/dbraw/zinc/06/14/82/564061482.db2.gz UDQWDBFMDSUPQN-UHFFFAOYSA-N 0 0 334.510 4.416 50 0 EIAARN CCN(C(=O)CSc1nc2ccccc2nc1C)C1CCCCC1 ZINC000003257004 564058776 /nfs/dbraw/zinc/05/87/76/564058776.db2.gz PIWZJEYXOSUXEO-UHFFFAOYSA-N 0 0 343.496 4.212 50 0 EIAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)n[nH]1 ZINC000012550887 564059111 /nfs/dbraw/zinc/05/91/11/564059111.db2.gz QIMBESBRXRVULX-UHFFFAOYSA-N 0 0 345.324 4.026 50 0 EIAARN Cc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1F ZINC000012556161 564059347 /nfs/dbraw/zinc/05/93/47/564059347.db2.gz HALQGXAEKBCCTG-UHFFFAOYSA-N 0 0 327.384 4.235 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000012559142 564059386 /nfs/dbraw/zinc/05/93/86/564059386.db2.gz ZGHKSELRDRFLRN-QGZVFWFLSA-N 0 0 337.467 4.424 50 0 EIAARN CCC(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)cc1 ZINC000003350628 564059393 /nfs/dbraw/zinc/05/93/93/564059393.db2.gz VZJVPXYRHQATNT-UHFFFAOYSA-N 0 0 327.409 4.364 50 0 EIAARN O=C(Nc1cccc(CNCc2ccco2)c1)c1ccc(Cl)cc1 ZINC000012567976 564059769 /nfs/dbraw/zinc/05/97/69/564059769.db2.gz HBFGSNQRUHZHSK-UHFFFAOYSA-N 0 0 340.810 4.475 50 0 EIAARN Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000012583659 564060130 /nfs/dbraw/zinc/06/01/30/564060130.db2.gz WKTMUBUEIHTSII-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN Cc1cnc([C@@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)s1 ZINC000120919570 564060568 /nfs/dbraw/zinc/06/05/68/564060568.db2.gz QNCWZWJUYKSEOA-UGSOOPFHSA-N 0 0 344.480 4.415 50 0 EIAARN CC(C)n1nccc1NC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000083063532 564060653 /nfs/dbraw/zinc/06/06/53/564060653.db2.gz JLNKKKWRKJDRPP-OAHLLOKOSA-N 0 0 349.438 4.409 50 0 EIAARN Cc1cc(NC(=O)C2CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000012618869 564060690 /nfs/dbraw/zinc/06/06/90/564060690.db2.gz OWPRMJXZLYFMSC-UHFFFAOYSA-N 0 0 343.736 4.201 50 0 EIAARN Cc1cc(NC(=O)NCCCOC2CCCC2)c(Cl)cc1F ZINC000299769594 564060752 /nfs/dbraw/zinc/06/07/52/564060752.db2.gz OBFYRRXTSLHRIY-UHFFFAOYSA-N 0 0 328.815 4.258 50 0 EIAARN CC(C)c1cc(C(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)no1 ZINC000299764211 564060766 /nfs/dbraw/zinc/06/07/66/564060766.db2.gz RYCKLUROQUEOSJ-UHFFFAOYSA-N 0 0 341.411 4.167 50 0 EIAARN Cc1ccc(CN(C(=O)NCc2cscn2)C2CCCC2)s1 ZINC000534667879 564061563 /nfs/dbraw/zinc/06/15/63/564061563.db2.gz HDSHGFWEJUHWFH-UHFFFAOYSA-N 0 0 335.498 4.167 50 0 EIAARN CCCCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000015423416 564062075 /nfs/dbraw/zinc/06/20/75/564062075.db2.gz QEZQPWGHHAXZPZ-UHFFFAOYSA-N 0 0 338.451 4.118 50 0 EIAARN CCOc1ccc(N2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)cc1 ZINC000001235778 564062097 /nfs/dbraw/zinc/06/20/97/564062097.db2.gz NVFWGGZNRFUKEK-WJDWOHSUSA-N 0 0 341.388 4.032 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1N1CCCC1=O ZINC000005440733 564062433 /nfs/dbraw/zinc/06/24/33/564062433.db2.gz SNTUCFMKJRTHBX-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccsc1 ZINC000012680850 564062615 /nfs/dbraw/zinc/06/26/15/564062615.db2.gz MSQKFZWGOZETMH-UHFFFAOYSA-N 0 0 345.342 4.044 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000263618332 564062979 /nfs/dbraw/zinc/06/29/79/564062979.db2.gz SKZDAZOQJWNABQ-GOSISDBHSA-N 0 0 347.418 4.331 50 0 EIAARN CCOc1ccccc1OCCC(=O)Nc1ccc(Cl)cc1C ZINC000012695960 564063379 /nfs/dbraw/zinc/06/33/79/564063379.db2.gz VCOKNIWCNQALHW-UHFFFAOYSA-N 0 0 333.815 4.455 50 0 EIAARN CN(C)c1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1F ZINC000083854330 564063849 /nfs/dbraw/zinc/06/38/49/564063849.db2.gz RLIWVGWJIZWXIU-UHFFFAOYSA-N 0 0 339.370 4.163 50 0 EIAARN Cc1c(C(=O)NCC2CCCCC2)sc2nc(C3CC3)nc(C)c12 ZINC000012728387 564063885 /nfs/dbraw/zinc/06/38/85/564063885.db2.gz PLXTYGYYBKDKBH-UHFFFAOYSA-N 0 0 343.496 4.496 50 0 EIAARN NC(=O)c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1 ZINC000001385415 564064187 /nfs/dbraw/zinc/06/41/87/564064187.db2.gz MTHAAZCUVZVRFE-UHFFFAOYSA-N 0 0 332.734 4.004 50 0 EIAARN O=C(Nc1ccc(F)cc1F)C(F)(F)Oc1ccc(Cl)cc1 ZINC000001393146 564064574 /nfs/dbraw/zinc/06/45/74/564064574.db2.gz WMWYYADAMAFDNF-UHFFFAOYSA-N 0 0 333.668 4.229 50 0 EIAARN COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 ZINC000083943821 564065011 /nfs/dbraw/zinc/06/50/11/564065011.db2.gz AOBGNMLTZIDGHZ-MJQMVNBJSA-N 0 0 341.838 4.124 50 0 EIAARN Cc1cc2c(cc1C(=O)Nc1cccc(Cl)c1C)OCCCO2 ZINC000046077751 564065271 /nfs/dbraw/zinc/06/52/71/564065271.db2.gz HTDXAYRQTXVJPU-UHFFFAOYSA-N 0 0 331.799 4.370 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000084012021 564065788 /nfs/dbraw/zinc/06/57/88/564065788.db2.gz PNAHIPGIRDHQFD-KDOFPFPSSA-N 0 0 346.519 4.242 50 0 EIAARN Cc1ccc(F)cc1NC(=O)c1cccc(OCc2cscn2)c1 ZINC000012747908 564065929 /nfs/dbraw/zinc/06/59/29/564065929.db2.gz SNLYJCBJDTUJBA-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN Cc1nc(C)c(C(=O)N(CCc2cccc(F)c2)C2CCCC2)o1 ZINC000084061271 564065989 /nfs/dbraw/zinc/06/59/89/564065989.db2.gz CGTUFNAONQLGKO-UHFFFAOYSA-N 0 0 330.403 4.058 50 0 EIAARN Cc1c2ccc3ccccc3c2oc1C(=O)Oc1cccc(C(N)=O)c1 ZINC000084068083 564066080 /nfs/dbraw/zinc/06/60/80/564066080.db2.gz AWVUOXAVSYPQIK-UHFFFAOYSA-N 0 0 345.354 4.213 50 0 EIAARN Cc1cc(N[C@H](C)Cc2ccc(-c3ccccc3)cc2)n2ncnc2n1 ZINC000084109960 564066567 /nfs/dbraw/zinc/06/65/67/564066567.db2.gz BRQDHGJOBJIADX-OAHLLOKOSA-N 0 0 343.434 4.143 50 0 EIAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CC(F)(F)F)cc2)n1 ZINC000084114662 564066700 /nfs/dbraw/zinc/06/67/00/564066700.db2.gz QQMPKQFVOPEIBQ-UHFFFAOYSA-N 0 0 341.358 4.136 50 0 EIAARN O=C1C[C@H](c2ccccc2)C(=O)N1C(c1ccccc1)c1ccccc1 ZINC000218909927 564066911 /nfs/dbraw/zinc/06/69/11/564066911.db2.gz GPQKKSSPMZEKHL-HXUWFJFHSA-N 0 0 341.410 4.319 50 0 EIAARN CCOC(=O)c1cnc2cc(F)c(F)cc2c1Nc1ccccc1O ZINC000001432431 564067086 /nfs/dbraw/zinc/06/70/86/564067086.db2.gz CXYOVGVFMICHFB-UHFFFAOYSA-N 0 0 344.317 4.139 50 0 EIAARN CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(C)C ZINC000116995885 564067107 /nfs/dbraw/zinc/06/71/07/564067107.db2.gz RQPOPPFIUCDWTE-UHFFFAOYSA-N 0 0 339.439 4.396 50 0 EIAARN CC(C)n1nccc1NC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000012754875 564067198 /nfs/dbraw/zinc/06/71/98/564067198.db2.gz DWLRCMXMUNHRNZ-UHFFFAOYSA-N 0 0 331.485 4.492 50 0 EIAARN Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1F ZINC000012756734 564067346 /nfs/dbraw/zinc/06/73/46/564067346.db2.gz ZJCBEUDVXWNCIG-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(-c2ccco2)on1 ZINC000084432876 564068181 /nfs/dbraw/zinc/06/81/81/564068181.db2.gz SPCVJXDHPNDMOG-UHFFFAOYSA-N 0 0 340.232 4.345 50 0 EIAARN CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(Br)cc1 ZINC000012767499 564068242 /nfs/dbraw/zinc/06/82/42/564068242.db2.gz OXXFXIMUEZHSMI-OAHLLOKOSA-N 0 0 348.240 4.339 50 0 EIAARN CO[C@@H](C)c1nc(CSCc2cn3cccc(C)c3n2)cs1 ZINC000084495951 564068297 /nfs/dbraw/zinc/06/82/97/564068297.db2.gz PRYUVJWKFTZCLX-LBPRGKRZSA-N 0 0 333.482 4.240 50 0 EIAARN O=C([C@@H]1CC(c2ccccc2)=NO1)N(Cc1ccco1)c1ccccc1 ZINC000084525280 564068463 /nfs/dbraw/zinc/06/84/63/564068463.db2.gz KDQCOUOALISNCF-FQEVSTJZSA-N 0 0 346.386 4.006 50 0 EIAARN O=C(Nc1ccnc(-c2ccccc2)n1)c1ccccc1C(F)(F)F ZINC000084564904 564068756 /nfs/dbraw/zinc/06/87/56/564068756.db2.gz HHVAMSFGRUXEGA-UHFFFAOYSA-N 0 0 343.308 4.415 50 0 EIAARN O=C(CCCn1c(=O)oc2ccccc21)OC1CCCCCCC1 ZINC000084600155 564068980 /nfs/dbraw/zinc/06/89/80/564068980.db2.gz REUBXSKORWOAEG-UHFFFAOYSA-N 0 0 331.412 4.031 50 0 EIAARN CC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(C)cc1 ZINC000012772468 564069058 /nfs/dbraw/zinc/06/90/58/564069058.db2.gz ILKWWMVXFXUIQH-HNNXBMFYSA-N 0 0 342.464 4.286 50 0 EIAARN CC(C)n1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)n1 ZINC000084633210 564069173 /nfs/dbraw/zinc/06/91/73/564069173.db2.gz WRYKMAICWFONMM-UHFFFAOYSA-N 0 0 327.762 4.029 50 0 EIAARN COc1ccc(-c2nc(COC(=O)[C@@H]3CC=CCC3)cs2)cc1 ZINC000012774922 564069211 /nfs/dbraw/zinc/06/92/11/564069211.db2.gz GJPOKUIHUWWLPU-CQSZACIVSA-N 0 0 329.421 4.218 50 0 EIAARN Cc1ccc(Cc2cnc(NC(=O)c3ccncc3)s2)cc1Cl ZINC000012775901 564069283 /nfs/dbraw/zinc/06/92/83/564069283.db2.gz NUSFAWFMBWIFJP-UHFFFAOYSA-N 0 0 343.839 4.343 50 0 EIAARN CC(C)c1noc(CSc2nnc(Nc3ccccc3)s2)n1 ZINC000012775668 564069340 /nfs/dbraw/zinc/06/93/40/564069340.db2.gz YRMOYBQVEORUOO-UHFFFAOYSA-N 0 0 333.442 4.080 50 0 EIAARN CCc1ccc(Cn2nccc2NC(=O)c2ccc(CC)cc2)cc1 ZINC000015613435 564069377 /nfs/dbraw/zinc/06/93/77/564069377.db2.gz QSMIYOQGAHQNJF-UHFFFAOYSA-N 0 0 333.435 4.309 50 0 EIAARN C[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1cccc2ccccc21 ZINC000084656404 564069422 /nfs/dbraw/zinc/06/94/22/564069422.db2.gz YZAUIZHFJJQWFO-CYBMUJFWSA-N 0 0 348.431 4.374 50 0 EIAARN C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccccn1 ZINC000084661034 564069492 /nfs/dbraw/zinc/06/94/92/564069492.db2.gz ZMRZSKWQCVBEBT-AWEZNQCLSA-N 0 0 335.432 4.119 50 0 EIAARN COc1ccccc1-c1cc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)n[nH]1 ZINC000084671096 564069575 /nfs/dbraw/zinc/06/95/75/564069575.db2.gz QQRSQPIMRFKMIB-KDOFPFPSSA-N 0 0 339.439 4.262 50 0 EIAARN O=C(COc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1 ZINC000012779242 564069748 /nfs/dbraw/zinc/06/97/48/564069748.db2.gz IMANJZZGNNRNCA-UHFFFAOYSA-N 0 0 342.247 4.019 50 0 EIAARN CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H](C)OCc1cccc(OC)c1 ZINC000084721656 564069823 /nfs/dbraw/zinc/06/98/23/564069823.db2.gz XHKRSZJGNUYAIM-FCEWJHQRSA-N 0 0 333.472 4.028 50 0 EIAARN CCCn1nccc1NC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000084759133 564070081 /nfs/dbraw/zinc/07/00/81/564070081.db2.gz RZEHKICELCSIJK-FXAWDEMLSA-N 0 0 338.455 4.226 50 0 EIAARN CCN(CC)c1ccc(-c2nnc(S[C@H]3CCCCC3=O)o2)cc1 ZINC000084774026 564070175 /nfs/dbraw/zinc/07/01/75/564070175.db2.gz CBHLRYTZYHFSRP-INIZCTEOSA-N 0 0 345.468 4.187 50 0 EIAARN COc1ccc(-c2nnc(SCCOc3ccc(C)cc3)o2)cc1 ZINC000015669898 564070431 /nfs/dbraw/zinc/07/04/31/564070431.db2.gz AOQCJKSHJZQKRH-UHFFFAOYSA-N 0 0 342.420 4.225 50 0 EIAARN CCCC(=O)Nc1c2ccccc2oc1C(=O)N1CCC(C)CC1 ZINC000015671834 564070471 /nfs/dbraw/zinc/07/04/71/564070471.db2.gz JJMURGUMFCEGMI-UHFFFAOYSA-N 0 0 328.412 4.044 50 0 EIAARN CC[C@@H](C)NC(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 ZINC000015677657 564070631 /nfs/dbraw/zinc/07/06/31/564070631.db2.gz BZFIKJDRFDSKTC-OAHLLOKOSA-N 0 0 325.456 4.113 50 0 EIAARN CSc1cccc(C)c1NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000184941747 564070755 /nfs/dbraw/zinc/07/07/55/564070755.db2.gz ACEABCCFDHHNKS-OAHLLOKOSA-N 0 0 344.484 4.091 50 0 EIAARN O=C(NCCC1=CCCCC1)c1ccc(-n2cnc3cccnc32)cc1 ZINC000015681921 564070790 /nfs/dbraw/zinc/07/07/90/564070790.db2.gz JJZPMYKRLLFDMP-UHFFFAOYSA-N 0 0 346.434 4.041 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)NC3CCCCCCC3)[nH]n2)cc1 ZINC000015721697 564072332 /nfs/dbraw/zinc/07/23/32/564072332.db2.gz YMDGVLAEXSJFEA-UHFFFAOYSA-N 0 0 341.455 4.318 50 0 EIAARN Cc1nc(CN(C(=O)[C@@H]2CCCS2)c2ccc(F)cc2)cs1 ZINC000074245254 564072377 /nfs/dbraw/zinc/07/23/77/564072377.db2.gz QKWIGEVYDXINBS-HNNXBMFYSA-N 0 0 336.457 4.019 50 0 EIAARN CCOC(=O)c1c(C)oc2nc(C)nc(Nc3cccc(CC)c3)c21 ZINC000015727420 564072389 /nfs/dbraw/zinc/07/23/89/564072389.db2.gz NTKMFBUPBOSALM-UHFFFAOYSA-N 0 0 339.395 4.322 50 0 EIAARN Cc1cc(C)cc(C2=N/C(=C\c3ccc(OC(F)F)cc3)C(=O)O2)c1 ZINC000006079342 564073554 /nfs/dbraw/zinc/07/35/54/564073554.db2.gz HNEJFNCCJTVKFY-YBEGLDIGSA-N 0 0 343.329 4.249 50 0 EIAARN Cc1ccccc1C(=O)NCc1ccc([C@H](O)c2cccs2)s1 ZINC000085474530 564073592 /nfs/dbraw/zinc/07/35/92/564073592.db2.gz USRGNWYQJJCNLC-QGZVFWFLSA-N 0 0 343.473 4.130 50 0 EIAARN Cc1csc(NC(=O)C[C@@H](c2ccccc2C)n2cccc2)n1 ZINC000015771223 564073773 /nfs/dbraw/zinc/07/37/73/564073773.db2.gz PNGVDUPXRVSPFM-INIZCTEOSA-N 0 0 325.437 4.180 50 0 EIAARN CCCC[NH2+]Cc1c(C)n(Cc2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC000015776983 564073869 /nfs/dbraw/zinc/07/38/69/564073869.db2.gz PMRNFDIZDJOWGO-UHFFFAOYSA-N 0 0 348.874 4.395 50 0 EIAARN O=C(CCCc1ccccc1)NCCCn1ccnc1-c1ccccc1 ZINC000085555040 564073894 /nfs/dbraw/zinc/07/38/94/564073894.db2.gz IFEROYZETCXIPV-UHFFFAOYSA-N 0 0 347.462 4.079 50 0 EIAARN Cc1cnc(CN[C@H](c2nc3ccccc3n2C)c2ccccc2)s1 ZINC000185458175 564073908 /nfs/dbraw/zinc/07/39/08/564073908.db2.gz AICQPHZKPNOQEQ-IBGZPJMESA-N 0 0 348.475 4.217 50 0 EIAARN CC[C@H](C(=O)Nc1cnc(Oc2ccccc2)nc1)c1ccccc1 ZINC000085557325 564073923 /nfs/dbraw/zinc/07/39/23/564073923.db2.gz JJVCTTBMLYUQNM-SFHVURJKSA-N 0 0 333.391 4.401 50 0 EIAARN CCn1c(C)cc(C(=O)CSc2ncnc3sccc32)c1C ZINC000006115296 564074398 /nfs/dbraw/zinc/07/43/98/564074398.db2.gz SIYPMCGFQDBOSO-UHFFFAOYSA-N 0 0 331.466 4.105 50 0 EIAARN COc1ccccc1-c1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000001511578 564075055 /nfs/dbraw/zinc/07/50/55/564075055.db2.gz KPVISEVCYISQFF-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN CCOc1c(Cl)cc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000015796852 564075166 /nfs/dbraw/zinc/07/51/66/564075166.db2.gz IHIYZBGARMACSM-SMDDNHRTSA-N 0 0 325.836 4.056 50 0 EIAARN COCc1nc(CNc2cccc(C(=O)c3ccccc3)c2)cs1 ZINC000086205038 564075341 /nfs/dbraw/zinc/07/53/41/564075341.db2.gz LGMIXEPHTDNCIO-UHFFFAOYSA-N 0 0 338.432 4.133 50 0 EIAARN C[C@H](NC(=O)N([C@@H](C)c1ccccn1)C1CC1)c1ccc(F)c(F)c1 ZINC000086338432 564075555 /nfs/dbraw/zinc/07/55/55/564075555.db2.gz VDCZCQRNIMAAED-STQMWFEESA-N 0 0 345.393 4.356 50 0 EIAARN CC(C)n1cc([C@H](C)NC(=O)N([C@H](C)c2ccco2)C2CC2)cn1 ZINC000086397532 564075628 /nfs/dbraw/zinc/07/56/28/564075628.db2.gz HDFYSOSKSIGMPI-UONOGXRCSA-N 0 0 330.432 4.053 50 0 EIAARN COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1F ZINC000012867388 564075858 /nfs/dbraw/zinc/07/58/58/564075858.db2.gz DPHNWKMICCJAGP-QGZVFWFLSA-N 0 0 333.790 4.369 50 0 EIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000012867391 564075861 /nfs/dbraw/zinc/07/58/61/564075861.db2.gz OHERXRZXTNBQMI-UHFFFAOYSA-N 0 0 340.398 4.286 50 0 EIAARN O=C1OC(=C(c2ccccc2)c2ccccc2)C=C1Br ZINC000002173165 564076065 /nfs/dbraw/zinc/07/60/65/564076065.db2.gz OEFNJXJOGNUEKG-UHFFFAOYSA-N 0 0 327.177 4.282 50 0 EIAARN O=C([O-])[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000034612843 564076134 /nfs/dbraw/zinc/07/61/34/564076134.db2.gz BTVXUNDDVUJORV-QFIPXVFZSA-N 0 0 345.442 4.385 50 0 EIAARN COc1cccc2c(N)c(C(=O)c3ccc(Br)cc3)oc21 ZINC000038986222 564076164 /nfs/dbraw/zinc/07/61/64/564076164.db2.gz XQCPZEFOVPVXSI-UHFFFAOYSA-N 0 0 346.180 4.017 50 0 EIAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000015836293 564076361 /nfs/dbraw/zinc/07/63/61/564076361.db2.gz AYFYKWQUQZUPOA-MRXNPFEDSA-N 0 0 335.494 4.397 50 0 EIAARN Cc1nc(-c2cccs2)c(CC(=O)N(C)Cc2ccccc2)s1 ZINC000015840075 564076631 /nfs/dbraw/zinc/07/66/31/564076631.db2.gz HQQQUKVUXUJSPC-UHFFFAOYSA-N 0 0 342.489 4.381 50 0 EIAARN CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000087141249 564077315 /nfs/dbraw/zinc/07/73/15/564077315.db2.gz CEEAWLGXCIQQJA-QGZVFWFLSA-N 0 0 346.858 4.359 50 0 EIAARN Cc1ccc(Cn2cc(C(=O)Nc3cc(C)ccc3C)ccc2=O)cc1 ZINC000015883143 564077457 /nfs/dbraw/zinc/07/74/57/564077457.db2.gz BTRCFANQSFWCHA-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Cc1ccc(F)c(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 ZINC000012883857 564077481 /nfs/dbraw/zinc/07/74/81/564077481.db2.gz LKRCSIHHINBWQG-UHFFFAOYSA-N 0 0 325.383 4.224 50 0 EIAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccccc1 ZINC000012918613 564078139 /nfs/dbraw/zinc/07/81/39/564078139.db2.gz YFCVDYHJGQKGCG-LJQANCHMSA-N 0 0 340.423 4.205 50 0 EIAARN CCOc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC ZINC000012922193 564078398 /nfs/dbraw/zinc/07/83/98/564078398.db2.gz DGBLPTNSVWIBHZ-SFHVURJKSA-N 0 0 339.435 4.244 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccc(F)cc1)C1CC1 ZINC000012931713 564078793 /nfs/dbraw/zinc/07/87/93/564078793.db2.gz CDPYIAAKEXIOOR-UHFFFAOYSA-N 0 0 346.833 4.391 50 0 EIAARN Cc1c(C(=O)Nc2nc3ccccc3s2)cnn1-c1cccc(C)c1 ZINC000012934318 564079148 /nfs/dbraw/zinc/07/91/48/564079148.db2.gz YQODPRFXAQBMMJ-UHFFFAOYSA-N 0 0 348.431 4.351 50 0 EIAARN CSCC[C@@H](C(=O)N1CCC(c2ccccc2)CC1)n1cccc1 ZINC000575443011 564079461 /nfs/dbraw/zinc/07/94/61/564079461.db2.gz CKTXLMLKYZOGDB-IBGZPJMESA-N 0 0 342.508 4.189 50 0 EIAARN Cc1cc(C)n2cc(CNc3cccc(CC(F)(F)F)c3)nc2n1 ZINC000088534157 564079530 /nfs/dbraw/zinc/07/95/30/564079530.db2.gz HIKWZLDUWYOVGW-UHFFFAOYSA-N 0 0 334.345 4.063 50 0 EIAARN CN(Cc1nccs1)C(=O)N[C@H](c1cc2ccccc2o1)C1CC1 ZINC000074879971 564079553 /nfs/dbraw/zinc/07/95/53/564079553.db2.gz ASCGWQLCTZNMGO-KRWDZBQOSA-N 0 0 341.436 4.182 50 0 EIAARN COc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000575443515 564079572 /nfs/dbraw/zinc/07/95/72/564079572.db2.gz QLJLGMFLWZMQNA-QGZVFWFLSA-N 0 0 333.840 4.436 50 0 EIAARN CN(Cc1nccs1)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000088784541 564079909 /nfs/dbraw/zinc/07/99/09/564079909.db2.gz JPILMSDGCPZKDB-QGZVFWFLSA-N 0 0 347.459 4.355 50 0 EIAARN Cc1nc(CC(=O)N(CC(F)(F)F)c2cccc(Cl)c2)cs1 ZINC000075094322 564079924 /nfs/dbraw/zinc/07/99/24/564079924.db2.gz CUGZYCAQRVZBKA-UHFFFAOYSA-N 0 0 348.777 4.243 50 0 EIAARN C[C@@H](Oc1ccccc1NC(=O)CCc1cnn(C)c1)c1ccccc1 ZINC000075139579 564080621 /nfs/dbraw/zinc/08/06/21/564080621.db2.gz BYRIRCSHVNOJRV-MRXNPFEDSA-N 0 0 349.434 4.131 50 0 EIAARN O=C(c1cc(-c2ccccc2)on1)N1CCC(c2cccs2)CC1 ZINC000075157046 564080887 /nfs/dbraw/zinc/08/08/87/564080887.db2.gz ZKRXDYXQZIWMIJ-UHFFFAOYSA-N 0 0 338.432 4.423 50 0 EIAARN COc1cccc(NC(=O)N2CCC(c3cccs3)CC2)c1OC ZINC000075157088 564080910 /nfs/dbraw/zinc/08/09/10/564080910.db2.gz RKANXURJTOKGFU-UHFFFAOYSA-N 0 0 346.452 4.177 50 0 EIAARN CC(C)C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@@H]3C ZINC000575473064 564080985 /nfs/dbraw/zinc/08/09/85/564080985.db2.gz BXXYUKPTPRBHNO-LBPRGKRZSA-N 0 0 327.424 4.354 50 0 EIAARN O=C(c1ccc(OC(F)(F)F)cc1)N(Cc1ccsc1)C1CC1 ZINC000075170204 564081015 /nfs/dbraw/zinc/08/10/15/564081015.db2.gz BCPJVSUPFTUWLG-UHFFFAOYSA-N 0 0 341.354 4.452 50 0 EIAARN CC(C)OC(=S)SCC(=O)c1ccc(Br)cc1 ZINC000001562569 564081614 /nfs/dbraw/zinc/08/16/14/564081614.db2.gz BMIIVAPFHMDSKU-UHFFFAOYSA-N 0 0 333.272 4.075 50 0 EIAARN CCOP(=O)(OCC)C(=O)Nc1ccc(Br)cc1 ZINC000001594215 564081707 /nfs/dbraw/zinc/08/17/07/564081707.db2.gz IBAABHUZBRQUNH-UHFFFAOYSA-N 0 0 336.122 4.247 50 0 EIAARN COc1ccccc1C=CC(=O)OCC(=O)c1c(C)cc(C)cc1C ZINC000006902664 564081809 /nfs/dbraw/zinc/08/18/09/564081809.db2.gz BHNNWNUJYRJVFD-MDZDMXLPSA-N 0 0 338.403 4.060 50 0 EIAARN O=C(CSCc1ccccc1)NCc1ccc(-c2ccco2)o1 ZINC000575609532 564082540 /nfs/dbraw/zinc/08/25/40/564082540.db2.gz XDXDJEAYMDWBMV-UHFFFAOYSA-N 0 0 327.405 4.089 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1F ZINC000575610485 564082562 /nfs/dbraw/zinc/08/25/62/564082562.db2.gz NUPZFXIOQBMUBB-GOSISDBHSA-N 0 0 341.407 4.018 50 0 EIAARN CCCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)sc1C ZINC000006248759 564083262 /nfs/dbraw/zinc/08/32/62/564083262.db2.gz IUFLPLBNGDARHP-UHFFFAOYSA-N 0 0 344.480 4.098 50 0 EIAARN COCc1c2ccccc2oc1C(=O)Nc1nc2ccccc2s1 ZINC000006270868 564083430 /nfs/dbraw/zinc/08/34/30/564083430.db2.gz RZLOLFUHYYMYBI-UHFFFAOYSA-N 0 0 338.388 4.441 50 0 EIAARN O=C(NCc1cncc(C2CC2)c1)c1cc2cc(F)ccc2s1 ZINC000575619606 564083800 /nfs/dbraw/zinc/08/38/00/564083800.db2.gz KNVCSADBNAJLRS-UHFFFAOYSA-N 0 0 326.396 4.243 50 0 EIAARN COc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1Cl ZINC000006303305 564083811 /nfs/dbraw/zinc/08/38/11/564083811.db2.gz SYEHEHZOBUAPQA-UHFFFAOYSA-N 0 0 333.815 4.373 50 0 EIAARN C[C@H](Cc1csc2ccccc12)NC(=O)Cc1ccc(F)cc1 ZINC000575620352 564083861 /nfs/dbraw/zinc/08/38/61/564083861.db2.gz KDJISBWZMYPMNX-CYBMUJFWSA-N 0 0 327.424 4.330 50 0 EIAARN O=C(CSC1CCCC1)NCc1cccnc1-c1ccsc1 ZINC000225646951 564084131 /nfs/dbraw/zinc/08/41/31/564084131.db2.gz WIBXNPVKBWNIOU-UHFFFAOYSA-N 0 0 332.494 4.102 50 0 EIAARN COc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@@H]3C)c(C)o2)cc1 ZINC000118186928 564084257 /nfs/dbraw/zinc/08/42/57/564084257.db2.gz KUIVCBRDRBPVCD-ZDUSSCGKSA-N 0 0 348.402 4.250 50 0 EIAARN Cc1csc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000006319355 564084592 /nfs/dbraw/zinc/08/45/92/564084592.db2.gz BKISQMSQDSBMPR-MRVPVSSYSA-N 0 0 331.224 4.164 50 0 EIAARN CCC(=O)N(Cc1nccn1Cc1c(C)cc(C)cc1C)C(C)C ZINC000006723850 564084810 /nfs/dbraw/zinc/08/48/10/564084810.db2.gz MMWWJNAWMNWUOE-UHFFFAOYSA-N 0 0 327.472 4.004 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026295720 564084824 /nfs/dbraw/zinc/08/48/24/564084824.db2.gz WQTKINSRLOIMFR-BFHYXJOUSA-N 0 0 328.378 4.476 50 0 EIAARN Cc1nc(-c2ccco2)sc1CNC(=O)Nc1ccccc1C ZINC000090593455 564084827 /nfs/dbraw/zinc/08/48/27/564084827.db2.gz XFJSHQAOFAJIDX-UHFFFAOYSA-N 0 0 327.409 4.342 50 0 EIAARN Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCc4ccccc43)c2)o1 ZINC000266027471 564084847 /nfs/dbraw/zinc/08/48/47/564084847.db2.gz BQEGOOGVXSZBGD-GOSISDBHSA-N 0 0 333.391 4.104 50 0 EIAARN COC(=O)c1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001738354 564084858 /nfs/dbraw/zinc/08/48/58/564084858.db2.gz GUDRLKWKZBPOOQ-UHFFFAOYSA-N 0 0 338.285 4.136 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2F)cc1 ZINC000012977367 564084931 /nfs/dbraw/zinc/08/49/31/564084931.db2.gz KVAVJEQJQXZEIU-ZDUSSCGKSA-N 0 0 331.412 4.289 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(F)cc3)ccc2c1 ZINC000012978615 564084952 /nfs/dbraw/zinc/08/49/52/564084952.db2.gz GWZPFFZIIUWFKD-CQSZACIVSA-N 0 0 337.394 4.407 50 0 EIAARN Cc1ccc(C)c(OCCC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000006329469 564085151 /nfs/dbraw/zinc/08/51/51/564085151.db2.gz PZZSNOJTUCEWSP-UHFFFAOYSA-N 0 0 335.350 4.312 50 0 EIAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000006335508 564085204 /nfs/dbraw/zinc/08/52/04/564085204.db2.gz SLYCYRWZYQSZQK-UHFFFAOYSA-N 0 0 349.217 4.138 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)NCc3ccccc3OC)ccc2c1 ZINC000012980589 564085430 /nfs/dbraw/zinc/08/54/30/564085430.db2.gz NYTHCQXHHNVYBU-OAHLLOKOSA-N 0 0 349.430 4.277 50 0 EIAARN CC(C)C(=O)Nc1cccc(CNC(=O)c2c(F)cccc2Cl)c1 ZINC000012981003 564085664 /nfs/dbraw/zinc/08/56/64/564085664.db2.gz IQTPFWXGKMLGOK-UHFFFAOYSA-N 0 0 348.805 4.004 50 0 EIAARN FC(F)(F)Oc1ccc(CSc2nnc(NC3CC3)s2)cc1 ZINC000012996308 564086048 /nfs/dbraw/zinc/08/60/48/564086048.db2.gz HCTUUQKKVPMOKO-UHFFFAOYSA-N 0 0 347.387 4.303 50 0 EIAARN Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)S[C@@H]2C)cc1 ZINC000006426654 564086155 /nfs/dbraw/zinc/08/61/55/564086155.db2.gz HNBUSDDXTZIIGH-CYBMUJFWSA-N 0 0 326.469 4.381 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)n1 ZINC000013002449 564086282 /nfs/dbraw/zinc/08/62/82/564086282.db2.gz BSOTWQNYMFXYIJ-OAHLLOKOSA-N 0 0 331.419 4.081 50 0 EIAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccc2ccccc2n1 ZINC000013007867 564086482 /nfs/dbraw/zinc/08/64/82/564086482.db2.gz PFMBFTBOMUKNCR-UHFFFAOYSA-N 0 0 332.281 4.386 50 0 EIAARN O=C(CCc1ccc2[nH]c(-c3ccccc3)nc2c1)NCc1ccco1 ZINC000075478951 564086708 /nfs/dbraw/zinc/08/67/08/564086708.db2.gz CICQOSBWLQFNTI-UHFFFAOYSA-N 0 0 345.402 4.072 50 0 EIAARN Cc1cc(NC(=O)Nc2ccc(COCc3ccccc3)cc2)on1 ZINC000075491416 564087050 /nfs/dbraw/zinc/08/70/50/564087050.db2.gz PTDQKRUIWLRJDV-UHFFFAOYSA-N 0 0 337.379 4.344 50 0 EIAARN Cc1ccc(CNC(=O)CCc2conc2-c2ccccc2F)cc1 ZINC000075510554 564087339 /nfs/dbraw/zinc/08/73/39/564087339.db2.gz AJILABKNHUONIQ-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN Cc1cccc(-c2nocc2CCC(=O)NCc2ccccc2C)c1 ZINC000075510325 564087344 /nfs/dbraw/zinc/08/73/44/564087344.db2.gz XKQJNSGWSIDHRE-UHFFFAOYSA-N 0 0 334.419 4.207 50 0 EIAARN Cc1ccc(CNC(=O)CCc2conc2-c2cccc(F)c2)cc1 ZINC000075510496 564087354 /nfs/dbraw/zinc/08/73/54/564087354.db2.gz XPDSJPMFRMZCEK-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN Cc1ccc(C(=O)N(C)c2ncccc2Br)c(Cl)c1 ZINC000191706436 564087579 /nfs/dbraw/zinc/08/75/79/564087579.db2.gz IKAPVDQAIBRCSY-UHFFFAOYSA-N 0 0 339.620 4.083 50 0 EIAARN COCCn1c(C)cc(C(=O)CSc2ccc(Cl)cc2)c1C ZINC000001802707 564087788 /nfs/dbraw/zinc/08/77/88/564087788.db2.gz BVZRGNZDCJDWII-UHFFFAOYSA-N 0 0 337.872 4.380 50 0 EIAARN Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)c(O)c1 ZINC000006453760 564087835 /nfs/dbraw/zinc/08/78/35/564087835.db2.gz XWTWLRFMGBBFEW-UHFFFAOYSA-N 0 0 333.387 4.385 50 0 EIAARN Cc1[nH]nc(NC(=O)[C@@H](C)Oc2ccccc2)c1-c1cccc(C)c1 ZINC000075544462 564088559 /nfs/dbraw/zinc/08/85/59/564088559.db2.gz SITGJNBHJYTQHI-OAHLLOKOSA-N 0 0 335.407 4.100 50 0 EIAARN COc1ccccc1C(=O)Nc1n[nH]c(C)c1-c1cccc(Cl)c1 ZINC000075544485 564088577 /nfs/dbraw/zinc/08/85/77/564088577.db2.gz LIENETPMEVZOMW-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002636414 564088779 /nfs/dbraw/zinc/08/87/79/564088779.db2.gz KDCDXFNMLHYRIS-SNVBAGLBSA-N 0 0 342.247 4.133 50 0 EIAARN CCCN1C(=O)CCc2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc21 ZINC000075550033 564089275 /nfs/dbraw/zinc/08/92/75/564089275.db2.gz LJYIDJVLQAGPBR-XYOKQWHBSA-N 0 0 348.446 4.336 50 0 EIAARN Cn1ccc2cc(CCC(=O)NCc3ccc(F)cc3Cl)ccc21 ZINC000075550550 564089314 /nfs/dbraw/zinc/08/93/14/564089314.db2.gz MHDFJVMQAKJRAG-UHFFFAOYSA-N 0 0 344.817 4.220 50 0 EIAARN CCn1ccc2ccc(CCC(=O)Nc3ccc(NC(C)=O)cc3)cc21 ZINC000075550777 564089322 /nfs/dbraw/zinc/08/93/22/564089322.db2.gz KMYQARVLANDXLC-UHFFFAOYSA-N 0 0 349.434 4.191 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CCC4=CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@H]2O ZINC000252428457 564089399 /nfs/dbraw/zinc/08/93/99/564089399.db2.gz FUOKARGLKLNTHY-YRYYUTHUSA-N 0 0 332.484 4.053 50 0 EIAARN COc1ccc(CC(=O)N(CCC(C)C)C2CCCC2)cc1OC ZINC000075572310 564089590 /nfs/dbraw/zinc/08/95/90/564089590.db2.gz ONFRJARPNNYUMI-UHFFFAOYSA-N 0 0 333.472 4.064 50 0 EIAARN Cc1cccc(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)c1O ZINC000075572620 564089599 /nfs/dbraw/zinc/08/95/99/564089599.db2.gz UNDBRKQKRGJGNK-UHFFFAOYSA-N 0 0 339.435 4.001 50 0 EIAARN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000075605161 564089752 /nfs/dbraw/zinc/08/97/52/564089752.db2.gz HYHWPPMQAQRAFK-LBPRGKRZSA-N 0 0 336.867 4.005 50 0 EIAARN CCCCc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)cc1 ZINC000001911467 564089947 /nfs/dbraw/zinc/08/99/47/564089947.db2.gz HEHDMRZCUSWMKA-UHFFFAOYSA-N 0 0 339.435 4.442 50 0 EIAARN Cc1ccc(N)c(C(=[NH+][N-]c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000252625075 564090718 /nfs/dbraw/zinc/09/07/18/564090718.db2.gz QCJFUUYONVHDRG-UHFFFAOYSA-N 0 0 346.390 4.350 50 0 EIAARN CCc1ncc(CN(C)Cc2ncc(-c3ccccc3OC)o2)s1 ZINC000075720112 564090945 /nfs/dbraw/zinc/09/09/45/564090945.db2.gz WYJYRVUNAGLYFQ-UHFFFAOYSA-N 0 0 343.452 4.001 50 0 EIAARN CC(C)(C)CC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000006509640 564091217 /nfs/dbraw/zinc/09/12/17/564091217.db2.gz DVVFOVQULUGDPD-UHFFFAOYSA-N 0 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339.391 4.194 50 0 EIAARN COC[C@H]1CCCN(C(=O)c2cccc(-c3ccc(C)cc3F)c2)C1 ZINC000426387836 564093561 /nfs/dbraw/zinc/09/35/61/564093561.db2.gz KPYQJIYILUHYHD-INIZCTEOSA-N 0 0 341.426 4.300 50 0 EIAARN CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2cccs2)cc1 ZINC000426396068 564093598 /nfs/dbraw/zinc/09/35/98/564093598.db2.gz YOHZWTHWORLLCB-KRWDZBQOSA-N 0 0 329.465 4.446 50 0 EIAARN Cc1cc(C(=O)NCc2cnc3c(c2)CCC3)c(-c2ccccc2)o1 ZINC000426422909 564093695 /nfs/dbraw/zinc/09/36/95/564093695.db2.gz MKBHJLHKPWUPGN-UHFFFAOYSA-N 0 0 332.403 4.069 50 0 EIAARN CC(C)SCC(=O)NCC[C@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000426518340 564093946 /nfs/dbraw/zinc/09/39/46/564093946.db2.gz OZUHKAQVRINNCG-FQEVSTJZSA-N 0 0 349.540 4.161 50 0 EIAARN Cc1ccc(-c2cccc(C(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3)c2)c(C)n1 ZINC000426550969 564094094 /nfs/dbraw/zinc/09/40/94/564094094.db2.gz BKMRHAKHTFJWKI-VVIORFSUSA-N 0 0 346.474 4.484 50 0 EIAARN CSCc1ccc(-c2ccc([C@@H](C)N3CCOCC3)cc2)nc1 ZINC000426658502 564094316 /nfs/dbraw/zinc/09/43/16/564094316.db2.gz QNBPNVWXXZIGMJ-OAHLLOKOSA-N 0 0 328.481 4.005 50 0 EIAARN CCOc1ccccc1OCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000006618593 564094583 /nfs/dbraw/zinc/09/45/83/564094583.db2.gz WECGDVMVAOCRFP-GOSISDBHSA-N 0 0 339.435 4.048 50 0 EIAARN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)N1CCCC1 ZINC000064657481 564094788 /nfs/dbraw/zinc/09/47/88/564094788.db2.gz QRJRWQAPFZKMBP-UHFFFAOYSA-N 0 0 328.412 4.131 50 0 EIAARN Cc1ccc(-c2cn3ccn(-c4cccc(Cl)c4)c(=O)c3n2)c(C)c1 ZINC000064675366 564095140 /nfs/dbraw/zinc/09/51/40/564095140.db2.gz IXNLVGILXZSILZ-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN COc1ccc(-c2noc(-c3ccc(NCCC(C)C)nc3)n2)cc1 ZINC000064676827 564095229 /nfs/dbraw/zinc/09/52/29/564095229.db2.gz WLHGEDUOHNQSHE-UHFFFAOYSA-N 0 0 338.411 4.265 50 0 EIAARN CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000006648247 564095295 /nfs/dbraw/zinc/09/52/95/564095295.db2.gz ROCZIHXYRFXZLK-MRXNPFEDSA-N 0 0 349.434 4.151 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC(CCOc2ccc(F)cc2)CC1 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COc1cccc(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000006750787 564097135 /nfs/dbraw/zinc/09/71/35/564097135.db2.gz OKKMMQVMIJGWOM-UHFFFAOYSA-N 0 0 347.418 4.498 50 0 EIAARN Cc1cc(F)ccc1Nc1nc2ccc(Cl)cc2n2cnnc12 ZINC000006752080 564097210 /nfs/dbraw/zinc/09/72/10/564097210.db2.gz WUOGENAMUPUGFE-UHFFFAOYSA-N 0 0 327.750 4.122 50 0 EIAARN Cc1cc(C)cc(NC(=O)Nc2nnc(N3CCC[C@@H](C)C3)s2)c1 ZINC000006768380 564097403 /nfs/dbraw/zinc/09/74/03/564097403.db2.gz YFZSWVYMNSGFEI-LLVKDONJSA-N 0 0 345.472 4.035 50 0 EIAARN CC(C)n1c2ccc(-c3noc(C4CCCCC4)n3)cc2[nH]c1=O ZINC000064891136 564097455 /nfs/dbraw/zinc/09/74/55/564097455.db2.gz LJQWZJSTLUVNSY-UHFFFAOYSA-N 0 0 326.400 4.008 50 0 EIAARN CSCCCN(C)C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000370709163 564097636 /nfs/dbraw/zinc/09/76/36/564097636.db2.gz IXNWVWANWPADOQ-UHFFFAOYSA-N 0 0 329.469 4.274 50 0 EIAARN CCn1nc(NC(=O)C2CCCCC2)c2cc3cc(C)ccc3nc21 ZINC000006785661 564097737 /nfs/dbraw/zinc/09/77/37/564097737.db2.gz PLXZFHGCKMYZFH-UHFFFAOYSA-N 0 0 336.439 4.432 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564102110 /nfs/dbraw/zinc/10/21/10/564102110.db2.gz ZGTRHMFCQCAUGR-UHFFFAOYSA-N 0 0 331.799 4.259 50 0 EIAARN CCOc1ccccc1C(=O)NCc1cccnc1-c1cccc(C)c1 ZINC000065171208 564102214 /nfs/dbraw/zinc/10/22/14/564102214.db2.gz YJWUWPKBCPNKFE-UHFFFAOYSA-N 0 0 346.430 4.386 50 0 EIAARN Cc1ccsc1C(=O)N1CCC(CCOc2ccccc2)CC1 ZINC000065180536 564102340 /nfs/dbraw/zinc/10/23/40/564102340.db2.gz XJNJJLIESVKFIQ-UHFFFAOYSA-N 0 0 329.465 4.378 50 0 EIAARN CC(=O)c1sc(NC(=O)Cc2ccc(Cl)c(Cl)c2)nc1C ZINC000006974946 564102590 /nfs/dbraw/zinc/10/25/90/564102590.db2.gz QAHOOEZZSZUGBC-UHFFFAOYSA-N 0 0 343.235 4.142 50 0 EIAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(OC(F)F)cc3)sc2C1 ZINC000006995123 564102742 /nfs/dbraw/zinc/10/27/42/564102742.db2.gz MSNSJHIEYACJES-SECBINFHSA-N 0 0 338.379 4.122 50 0 EIAARN CC(C)NC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000007007674 564103103 /nfs/dbraw/zinc/10/31/03/564103103.db2.gz CPFFTFTXODLBHC-UHFFFAOYSA-N 0 0 327.468 4.058 50 0 EIAARN CCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccccc2F)n1 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C[C@@H](NC(=O)c1[nH]nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000007138827 564105417 /nfs/dbraw/zinc/10/54/17/564105417.db2.gz JONGDBIZXUMBHC-SECBINFHSA-N 0 0 334.206 4.361 50 0 EIAARN COc1ccc(C)cc1NC(=O)CSCCCc1ccccc1 ZINC000007148563 564105538 /nfs/dbraw/zinc/10/55/38/564105538.db2.gz WIAYWUGSZPYGAE-UHFFFAOYSA-N 0 0 329.465 4.308 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000007180333 564105632 /nfs/dbraw/zinc/10/56/32/564105632.db2.gz AQSKRDRHYVKVJI-MRXNPFEDSA-N 0 0 332.403 4.005 50 0 EIAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 ZINC000007195177 564105687 /nfs/dbraw/zinc/10/56/87/564105687.db2.gz YSSPZXBFJGELGE-NSHDSACASA-N 0 0 344.392 4.010 50 0 EIAARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1Cl ZINC000007242310 564105922 /nfs/dbraw/zinc/10/59/22/564105922.db2.gz ACCVFYLBGOLZBZ-NSHDSACASA-N 0 0 332.806 4.407 50 0 EIAARN Cc1cc(C)c(OCC(=O)NCCSCc2cccs2)c(C)c1 ZINC000007271789 564106298 /nfs/dbraw/zinc/10/62/98/564106298.db2.gz YXTGQSUQWNUTJW-UHFFFAOYSA-N 0 0 349.521 4.102 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341.842 4.119 50 0 EIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)CSc1ccc(F)cc1 ZINC000239578999 564107396 /nfs/dbraw/zinc/10/73/96/564107396.db2.gz DDFSNWHMVQWXHZ-CYBMUJFWSA-N 0 0 343.423 4.411 50 0 EIAARN CN(CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)cc1Cl ZINC000007356862 564107419 /nfs/dbraw/zinc/10/74/19/564107419.db2.gz UXZBIUSVWVSRNY-UHFFFAOYSA-N 0 0 349.261 4.015 50 0 EIAARN Cc1nc2ccccc2n1CCNc1ncnc2sc(C)c(C)c21 ZINC000007366324 564107555 /nfs/dbraw/zinc/10/75/55/564107555.db2.gz UNPXMVXPKCBEFH-UHFFFAOYSA-N 0 0 337.452 4.078 50 0 EIAARN COc1ccc(OC)c([C@H](C)NC(=S)Nc2ccc(C)cc2)c1 ZINC000007371125 564107621 /nfs/dbraw/zinc/10/76/21/564107621.db2.gz PIHQWSJUJWMYNT-ZDUSSCGKSA-N 0 0 330.453 4.060 50 0 EIAARN COCc1ccccc1CNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000065587408 564107753 /nfs/dbraw/zinc/10/77/53/564107753.db2.gz SNTPNASLQSAJFC-ZDUSSCGKSA-N 0 0 348.393 4.014 50 0 EIAARN Cc1noc(C)c1CNc1ccc(OC(F)F)cc1OC(F)F ZINC000065588102 564107839 /nfs/dbraw/zinc/10/78/39/564107839.db2.gz ZKAYFLGRLQSOFO-UHFFFAOYSA-N 0 0 334.269 4.106 50 0 EIAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 ZINC000007405106 564107965 /nfs/dbraw/zinc/10/79/65/564107965.db2.gz KUANQWUJZPIIET-UHFFFAOYSA-N 0 0 325.380 4.063 50 0 EIAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007409072 564108097 /nfs/dbraw/zinc/10/80/97/564108097.db2.gz YMDYJZHNEWXYBX-UHFFFAOYSA-N 0 0 345.342 4.003 50 0 EIAARN C[C@H](NC(=O)C1CCOCC1)c1ccccc1Oc1ccccc1 ZINC000065603553 564108127 /nfs/dbraw/zinc/10/81/27/564108127.db2.gz YTRFMHZEZCKMGL-HNNXBMFYSA-N 0 0 325.408 4.083 50 0 EIAARN Cc1cccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000007421170 564108344 /nfs/dbraw/zinc/10/83/44/564108344.db2.gz BZEXTZGLWQKGBO-UHFFFAOYSA-N 0 0 328.755 4.055 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)cs1 ZINC000007437758 564108504 /nfs/dbraw/zinc/10/85/04/564108504.db2.gz LWGAWFFXVHWQAN-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1oc2nc(CN[C@H](CC(C)C)c3ccccc3)nc(N)c2c1C ZINC000170591650 564108832 /nfs/dbraw/zinc/10/88/32/564108832.db2.gz ZJDXDWJRJBTLIB-MRXNPFEDSA-N 0 0 338.455 4.299 50 0 EIAARN [O-][n+]1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1 ZINC000007507432 564109405 /nfs/dbraw/zinc/10/94/05/564109405.db2.gz UQAQRJNQJGUAPT-UHFFFAOYSA-N 0 0 334.853 4.389 50 0 EIAARN c1ccc2[nH]c([C@H]3CCCN3Cc3cccc4c3OCCCO4)nc2c1 ZINC000170606901 564109603 /nfs/dbraw/zinc/10/96/03/564109603.db2.gz VSPFZGUZXMPLSP-GOSISDBHSA-N 0 0 349.434 4.061 50 0 EIAARN O=C(Cn1ccc2ccccc21)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000170622112 564110346 /nfs/dbraw/zinc/11/03/46/564110346.db2.gz HJCDDLIVGFYOCG-LJQANCHMSA-N 0 0 343.430 4.316 50 0 EIAARN Cc1cccnc1[C@@H](NC(=O)N1CCCc2sccc2C1)C(C)C ZINC000170627520 564110455 /nfs/dbraw/zinc/11/04/55/564110455.db2.gz AVNNUNNEQYONMG-KRWDZBQOSA-N 0 0 343.496 4.307 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccccc2)ns1 ZINC000042090736 564110702 /nfs/dbraw/zinc/11/07/02/564110702.db2.gz NNZDQEKHSSBWMJ-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN Cc1ccc(-c2nc(-c3nnc(-c4ccccc4)s3)c(N)o2)cc1 ZINC000071195142 564110787 /nfs/dbraw/zinc/11/07/87/564110787.db2.gz CCNAVVDOBVJGKB-UHFFFAOYSA-N 0 0 334.404 4.418 50 0 EIAARN Cc1c([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cnn1C ZINC000071288910 564110909 /nfs/dbraw/zinc/11/09/09/564110909.db2.gz JFZZGPSDKGTJES-HNNXBMFYSA-N 0 0 345.472 4.022 50 0 EIAARN COc1ccc(NC2=NC(=O)SC2=Cc2c(C)noc2C)cc1 ZINC000071285833 564110933 /nfs/dbraw/zinc/11/09/33/564110933.db2.gz JVLCXLXPVBKIEI-ZSOIEALJSA-N 0 0 329.381 4.018 50 0 EIAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)Nc1ccccc1 ZINC000013330920 564111620 /nfs/dbraw/zinc/11/16/20/564111620.db2.gz RNZCLNKOJBAETI-UHFFFAOYSA-N 0 0 342.855 4.394 50 0 EIAARN COc1cccc([C@H](C)NC(=O)Nc2ccccc2Br)c1 ZINC000013745356 564112001 /nfs/dbraw/zinc/11/20/01/564112001.db2.gz ULKSTFYHHKKERP-NSHDSACASA-N 0 0 349.228 4.340 50 0 EIAARN COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1OC ZINC000014018676 564112155 /nfs/dbraw/zinc/11/21/55/564112155.db2.gz ZCDPJAMMABGONX-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2Cl)cc1C ZINC000014221969 564112342 /nfs/dbraw/zinc/11/23/42/564112342.db2.gz WYTBZCASPDONTE-CYBMUJFWSA-N 0 0 335.806 4.352 50 0 EIAARN C[S@](=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000014350391 564112424 /nfs/dbraw/zinc/11/24/24/564112424.db2.gz YVCDEFWUTQXEGC-RUZDIDTESA-N 0 0 347.439 4.248 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1nc2c(s1)CCCCC2 ZINC000014554166 564112510 /nfs/dbraw/zinc/11/25/10/564112510.db2.gz UOLZIXDFEOAGHI-UHFFFAOYSA-N 0 0 338.835 4.386 50 0 EIAARN Cc1ccc(C)c(SCC(=O)N[C@H](C)CC(=O)c2cccs2)c1 ZINC000089626330 564112780 /nfs/dbraw/zinc/11/27/80/564112780.db2.gz OUAZZGPAXBJHDS-CQSZACIVSA-N 0 0 347.505 4.235 50 0 EIAARN CC[C@H]1CN(Cc2nnc(-c3ccccc3C)o2)c2ccccc2O1 ZINC000075840517 564112818 /nfs/dbraw/zinc/11/28/18/564112818.db2.gz LRMSOGYGJOYRBJ-HNNXBMFYSA-N 0 0 335.407 4.223 50 0 EIAARN COc1cc(OC)c(C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000014669548 564113059 /nfs/dbraw/zinc/11/30/59/564113059.db2.gz QGPHPDKTAIWRGK-UHFFFAOYSA-N 0 0 349.814 4.235 50 0 EIAARN Cc1csc(-c2cccc(NCc3ccc([S@@](C)=O)cc3)c2)n1 ZINC000089708859 564113314 /nfs/dbraw/zinc/11/33/14/564113314.db2.gz ICQDACSLYAEJNF-QHCPKHFHSA-N 0 0 342.489 4.468 50 0 EIAARN O=C(c1ccccc1SCc1cscn1)N1C[C@H]2CCC[C@@H]2C1 ZINC000089809604 564113984 /nfs/dbraw/zinc/11/39/84/564113984.db2.gz JUFDMSBPTQOYDJ-ZIAGYGMSSA-N 0 0 344.505 4.308 50 0 EIAARN O=C(Nc1cc(Cl)ccc1NCc1ccccc1)C1CCOCC1 ZINC000089836558 564114130 /nfs/dbraw/zinc/11/41/30/564114130.db2.gz ZJLFMLLBWFIJFA-UHFFFAOYSA-N 0 0 344.842 4.317 50 0 EIAARN c1coc([C@H](NCc2nccn2Cc2ccccc2)c2ccccc2)c1 ZINC000089841133 564114207 /nfs/dbraw/zinc/11/42/07/564114207.db2.gz QEOMVTOXKCTMEG-JOCHJYFZSA-N 0 0 343.430 4.404 50 0 EIAARN Cc1cccc(C)c1NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000076018954 564114519 /nfs/dbraw/zinc/11/45/19/564114519.db2.gz XWJHBOWCUQAUBN-QGZVFWFLSA-N 0 0 326.396 4.115 50 0 EIAARN CC(C)OCc1cccc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000089887920 564114693 /nfs/dbraw/zinc/11/46/93/564114693.db2.gz RVUKPELKAJZQRQ-GOSISDBHSA-N 0 0 346.471 4.225 50 0 EIAARN CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)Cc2cccnc2)n1 ZINC000076042879 564114715 /nfs/dbraw/zinc/11/47/15/564114715.db2.gz VAJIDTQKFVFXFQ-HNNXBMFYSA-N 0 0 343.496 4.132 50 0 EIAARN CC(C)(C)c1csc([C@H]2CCCCN2C(=O)C[C@@H]2CCCO2)n1 ZINC000076042894 564114761 /nfs/dbraw/zinc/11/47/61/564114761.db2.gz IAVLVKRTNLCBBE-UONOGXRCSA-N 0 0 336.501 4.063 50 0 EIAARN C[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000089894250 564114964 /nfs/dbraw/zinc/11/49/64/564114964.db2.gz OBIJBSBNZJHLAJ-JKSUJKDBSA-N 0 0 340.423 4.104 50 0 EIAARN CCCC(=O)Nc1cccc(NCc2nnc(-c3ccccc3)o2)c1 ZINC000089949379 564115791 /nfs/dbraw/zinc/11/57/91/564115791.db2.gz LQNDGPZASZOKLW-UHFFFAOYSA-N 0 0 336.395 4.087 50 0 EIAARN CCOc1cc(Cl)ccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000089990954 564116114 /nfs/dbraw/zinc/11/61/14/564116114.db2.gz RYWMFYWOEXKGTA-AWEZNQCLSA-N 0 0 348.834 4.221 50 0 EIAARN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1sccc1SC ZINC000271421234 564116241 /nfs/dbraw/zinc/11/62/41/564116241.db2.gz FJBARZIPNQGGJY-YGRLFVJLSA-N 0 0 339.457 4.115 50 0 EIAARN COC(=O)c1cccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1 ZINC000017043145 564116243 /nfs/dbraw/zinc/11/62/43/564116243.db2.gz IEDRHXZFGCQDBS-DELCKGKKSA-N 0 0 341.451 4.408 50 0 EIAARN Cc1ccc(F)c(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202590 564116465 /nfs/dbraw/zinc/11/64/65/564116465.db2.gz WHSPVJGFWQERPK-MRXNPFEDSA-N 0 0 331.778 4.050 50 0 EIAARN Cc1cccn2cc(CNC(=O)[C@H]3C[C@H]3c3ccc(C(C)C)cc3)nc12 ZINC000170636897 564117338 /nfs/dbraw/zinc/11/73/38/564117338.db2.gz BZNQECARXFWASC-PMACEKPBSA-N 0 0 347.462 4.186 50 0 EIAARN CN(C(=O)Nc1cnn(-c2ccccc2)c1)C1CCCCCCC1 ZINC000170637804 564117406 /nfs/dbraw/zinc/11/74/06/564117406.db2.gz KGSRCOGXAXKUAO-UHFFFAOYSA-N 0 0 326.444 4.449 50 0 EIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C)cc1C ZINC000006697927 564117426 /nfs/dbraw/zinc/11/74/26/564117426.db2.gz JSMKYEZGDVWNRE-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccccn1 ZINC000002542417 564117899 /nfs/dbraw/zinc/11/78/99/564117899.db2.gz FSCHWCYLWWTVTF-UHFFFAOYSA-N 0 0 330.844 4.306 50 0 EIAARN Cc1ccccc1N1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 ZINC000002117001 564118219 /nfs/dbraw/zinc/11/82/19/564118219.db2.gz ACYNSIQYTBGPLC-UHFFFAOYSA-N 0 0 347.414 4.337 50 0 biogenic EIAARN O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccccc1Cl ZINC000000388865 564118829 /nfs/dbraw/zinc/11/88/29/564118829.db2.gz PSUNKNVCRCEIQX-UHFFFAOYSA-N 0 0 339.609 4.405 50 0 EIAARN O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000252488439 564119412 /nfs/dbraw/zinc/11/94/12/564119412.db2.gz IRVBVQLGWHHDQI-ZDUSSCGKSA-N 0 0 349.308 4.110 50 0 EIAARN O=C(c1cccc(CO)c1)N(Cc1cccs1)Cc1cccs1 ZINC000252494650 564119646 /nfs/dbraw/zinc/11/96/46/564119646.db2.gz OAXIIBHAMRKGSF-UHFFFAOYSA-N 0 0 343.473 4.145 50 0 EIAARN CCC(CC)n1nc(C(=O)N2CC[C@@H]2c2ccccc2F)cc1C ZINC000252536743 564120542 /nfs/dbraw/zinc/12/05/42/564120542.db2.gz JKOUTNZKOMSEFV-GOSISDBHSA-N 0 0 329.419 4.279 50 0 EIAARN CO[C@H](CNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)s1 ZINC000225701168 564120687 /nfs/dbraw/zinc/12/06/87/564120687.db2.gz MOVLOLYJTXSZHC-CYBMUJFWSA-N 0 0 334.828 4.000 50 0 EIAARN CCC(CC)n1nc(C)cc1C(=O)N1CC[C@@H]1c1ccccc1F ZINC000252549297 564120759 /nfs/dbraw/zinc/12/07/59/564120759.db2.gz RCSXPGOHDAZSQO-QGZVFWFLSA-N 0 0 329.419 4.279 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1 ZINC000002200503 564120901 /nfs/dbraw/zinc/12/09/01/564120901.db2.gz JBYGUWLTBNNDCH-QGZVFWFLSA-N 0 0 348.229 4.343 50 0 EIAARN OCCn1c(-c2ccc(F)cc2)csc1=Nc1ccc(Cl)cc1 ZINC000252604638 564121264 /nfs/dbraw/zinc/12/12/64/564121264.db2.gz GBVDOJQVKUPZGQ-UHFFFAOYSA-N 0 0 348.830 4.234 50 0 EIAARN Cc1cccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)c1C ZINC000007683946 564121921 /nfs/dbraw/zinc/12/19/21/564121921.db2.gz JUHCUCWWCVJDBC-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN O=C(Cc1ccccc1F)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000007723913 564122241 /nfs/dbraw/zinc/12/22/41/564122241.db2.gz PYLBXGCTKDNPHL-UHFFFAOYSA-N 0 0 348.349 4.409 50 0 EIAARN Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c(C)c1 ZINC000007725923 564122306 /nfs/dbraw/zinc/12/23/06/564122306.db2.gz XJAQFXOJPLJIET-UHFFFAOYSA-N 0 0 338.407 4.130 50 0 EIAARN Cc1ccc(Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1C ZINC000007735886 564122461 /nfs/dbraw/zinc/12/24/61/564122461.db2.gz WUPPXOLJXXPWGO-UHFFFAOYSA-N 0 0 325.799 4.246 50 0 EIAARN Fc1cc2c(c(F)c1)[C@@H](Nc1nc(-c3ccccc3)ns1)CO2 ZINC000681237465 564122519 /nfs/dbraw/zinc/12/25/19/564122519.db2.gz CFDNPUDHPFVDME-LBPRGKRZSA-N 0 0 331.347 4.029 50 0 EIAARN C[C@@H](C(=O)Nc1cc2c(cc1Br)CCC2)c1cccnc1 ZINC000195204137 564122969 /nfs/dbraw/zinc/12/29/69/564122969.db2.gz LNXDMWZJDGTRMD-LLVKDONJSA-N 0 0 345.240 4.075 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000007807500 564123583 /nfs/dbraw/zinc/12/35/83/564123583.db2.gz WOZOHZYYIZRQJI-UHFFFAOYSA-N 0 0 331.755 4.356 50 0 EIAARN Cc1ccc(CCC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)o1 ZINC000195553387 564123704 /nfs/dbraw/zinc/12/37/04/564123704.db2.gz KRNQOKILKJTWHY-QGZVFWFLSA-N 0 0 329.444 4.004 50 0 EIAARN c1coc(-c2nc(CNc3nnc(-c4cccs4)o3)cs2)c1 ZINC000195562455 564123802 /nfs/dbraw/zinc/12/38/02/564123802.db2.gz OKOGADYFQJXGLB-UHFFFAOYSA-N 0 0 330.394 4.127 50 0 EIAARN Cc1ccc(F)c(CNc2ccc(Cl)c(C[S@@](C)=O)c2)c1 ZINC000195559127 564123825 /nfs/dbraw/zinc/12/38/25/564123825.db2.gz CYNISBZTGKLFHY-OAQYLSRUSA-N 0 0 325.836 4.278 50 0 EIAARN Cc1ccc(F)c(CNc2ccc(Cl)c(C[S@](C)=O)c2)c1 ZINC000195559129 564123827 /nfs/dbraw/zinc/12/38/27/564123827.db2.gz CYNISBZTGKLFHY-NRFANRHFSA-N 0 0 325.836 4.278 50 0 EIAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1c([O-])cc(F)cc1F ZINC000066042928 564123930 /nfs/dbraw/zinc/12/39/30/564123930.db2.gz PXIIKFFSTSVPIB-UHFFFAOYSA-N 0 0 346.377 4.303 50 0 EIAARN CCC[C@H](C)NC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 ZINC000007814252 564124006 /nfs/dbraw/zinc/12/40/06/564124006.db2.gz FEJQOYHZWIZAMG-AWEZNQCLSA-N 0 0 325.408 4.197 50 0 EIAARN Cc1cc(OCC(=O)N2CCc3sccc3[C@H]2C)ccc1Cl ZINC000007829774 564124089 /nfs/dbraw/zinc/12/40/89/564124089.db2.gz WUGZDICJQQYJRT-GFCCVEGCSA-N 0 0 335.856 4.235 50 0 EIAARN COc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1Cl ZINC000007849243 564124236 /nfs/dbraw/zinc/12/42/36/564124236.db2.gz AJPLQCVCTOURDW-UHFFFAOYSA-N 0 0 328.799 4.250 50 0 EIAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC(F)F ZINC000007886437 564124415 /nfs/dbraw/zinc/12/44/15/564124415.db2.gz AAIIVZCHIAKPDE-MRXNPFEDSA-N 0 0 332.350 4.265 50 0 EIAARN Cc1cccc(N=c2scc(-c3ccc(Cl)cc3)n2CCO)c1 ZINC000252666587 564124774 /nfs/dbraw/zinc/12/47/74/564124774.db2.gz BZOWIIZWCINRPU-UHFFFAOYSA-N 0 0 344.867 4.403 50 0 EIAARN O=C(N=c1scc(-c2ccccc2)n1-c1ccccc1)C(F)(F)F ZINC000252677314 564124893 /nfs/dbraw/zinc/12/48/93/564124893.db2.gz YIBHLJGXJCGDOL-UHFFFAOYSA-N 0 0 348.349 4.195 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000252679716 564124918 /nfs/dbraw/zinc/12/49/18/564124918.db2.gz QFAWQQNGFBZYOO-ZCNNSNEGSA-N 0 0 336.435 4.098 50 0 EIAARN COc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000309383 564124928 /nfs/dbraw/zinc/12/49/28/564124928.db2.gz PNQADVLORNMEOS-UHFFFAOYSA-N 0 0 339.416 4.163 50 0 EIAARN Cc1[nH]nc2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1C2 ZINC000252693861 564124973 /nfs/dbraw/zinc/12/49/73/564124973.db2.gz GHWUZZCCPXLMSI-LZJLGUPYSA-N 0 0 328.500 4.135 50 0 EIAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(F)cc2)cs1 ZINC000007918328 564125157 /nfs/dbraw/zinc/12/51/57/564125157.db2.gz YFTABVHQNKASIR-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN COC(=O)c1sc2ccc(Br)cc2c1C(F)(F)F ZINC000136073365 564128794 /nfs/dbraw/zinc/12/87/94/564128794.db2.gz ZINISNQPSKGMKN-UHFFFAOYSA-N 0 0 339.132 4.469 50 0 EIAARN CC(C)N(C(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000019908914 564129067 /nfs/dbraw/zinc/12/90/67/564129067.db2.gz NDUROSGHYSMTKI-UHFFFAOYSA-N 0 0 348.240 4.270 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)NC(=O)Cc1ccccc1Cl ZINC000019925288 564129094 /nfs/dbraw/zinc/12/90/94/564129094.db2.gz VGFFEROYJHGHAK-UHFFFAOYSA-N 0 0 337.206 4.193 50 0 EIAARN Fc1ccc(Nc2ncnc3c2ncn3-c2ccccc2)cc1Cl ZINC000019926085 564129097 /nfs/dbraw/zinc/12/90/97/564129097.db2.gz DIYLGGYQGPPHTD-UHFFFAOYSA-N 0 0 339.761 4.352 50 0 EIAARN c1nc(COc2ccccc2N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cs1 ZINC000253369800 564130312 /nfs/dbraw/zinc/13/03/12/564130312.db2.gz IGWZEKRACFEXMG-ZTFGCOKTSA-N 0 0 342.464 4.092 50 0 EIAARN CCN(C(=O)c1ccc(C(C)=O)o1)c1ccc(C(F)(F)F)cc1 ZINC000253392134 564130444 /nfs/dbraw/zinc/13/04/44/564130444.db2.gz WEYXMUNDBHTMOD-UHFFFAOYSA-N 0 0 325.286 4.168 50 0 EIAARN CC(=O)c1csc(C(=O)N2CCC(OC3CCC(C)CC3)CC2)c1 ZINC000253417987 564130849 /nfs/dbraw/zinc/13/08/49/564130849.db2.gz RHQACPQFJYOBFF-UHFFFAOYSA-N 0 0 349.496 4.151 50 0 EIAARN CCCN(CC)c1ccc(C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)cc1 ZINC000253418022 564130868 /nfs/dbraw/zinc/13/08/68/564130868.db2.gz FOSSMBINKPXWEE-YLJYHZDGSA-N 0 0 346.515 4.079 50 0 EIAARN C[C@H](NC(=O)CN1CC(C)(C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000253419786 564130931 /nfs/dbraw/zinc/13/09/31/564130931.db2.gz IGUHDHLVAMVZBW-UGSOOPFHSA-N 0 0 346.471 4.148 50 0 EIAARN Cc1cc(N[C@H](c2ccccc2)[C@@H]2CCOC2)nc(-c2cccnc2)n1 ZINC000253422844 564131056 /nfs/dbraw/zinc/13/10/56/564131056.db2.gz CAVSGXSDOGTEOR-UYAOXDASSA-N 0 0 346.434 4.037 50 0 EIAARN Cc1nc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)oc1C ZINC000253426292 564131142 /nfs/dbraw/zinc/13/11/42/564131142.db2.gz GMRJUHXWKZZHLN-SFHVURJKSA-N 0 0 327.815 4.219 50 0 EIAARN COCCN(C)C(=O)c1cccc(-c2cc(F)c(C)cc2Cl)c1 ZINC000584895938 564131657 /nfs/dbraw/zinc/13/16/57/564131657.db2.gz CYIBBJOYIAESOD-UHFFFAOYSA-N 0 0 335.806 4.173 50 0 EIAARN Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@H]2c2csc(C)n2)o1 ZINC000253433208 564131895 /nfs/dbraw/zinc/13/18/95/564131895.db2.gz UADZOYVIEAXKTJ-SJCJKPOMSA-N 0 0 347.484 4.221 50 0 EIAARN CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000253433619 564131983 /nfs/dbraw/zinc/13/19/83/564131983.db2.gz ZMZYQEDBTQKRCT-KRWDZBQOSA-N 0 0 337.427 4.143 50 0 EIAARN O=S(=O)(Nc1ccc2[nH]c(C3CCCC3)nc2c1)c1ccccc1 ZINC000074985913 564133785 /nfs/dbraw/zinc/13/37/85/564133785.db2.gz GBCSTKBWIPLEJA-UHFFFAOYSA-N 0 0 341.436 4.021 50 0 EIAARN Cc1cc(C(=O)N(C)c2ccccn2)cc(Cl)c1Br ZINC000225449413 564134817 /nfs/dbraw/zinc/13/48/17/564134817.db2.gz HWJAWJNLKKANTQ-UHFFFAOYSA-N 0 0 339.620 4.083 50 0 EIAARN Cc1noc2c1[C@@]1(C)CC[C@@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 ZINC000012655506 564135401 /nfs/dbraw/zinc/13/54/01/564135401.db2.gz CWEKHXSSQMBRHH-LKTQXZJLSA-N 0 0 327.468 4.320 50 0 biogenic EIAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1N1CCCC1=O ZINC000007945885 564135500 /nfs/dbraw/zinc/13/55/00/564135500.db2.gz DSCMNNCKIWTNEQ-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000012942214 564135685 /nfs/dbraw/zinc/13/56/85/564135685.db2.gz MPOHJPZOZDHLBR-HXUWFJFHSA-N 0 0 338.451 4.088 50 0 EIAARN Oc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 ZINC000013036278 564135887 /nfs/dbraw/zinc/13/58/87/564135887.db2.gz LXJBSTJNXNZNNS-TZIWHRDSSA-N 0 0 343.386 4.030 50 0 EIAARN C[C@@H]1CCc2sc3nc(NCc4ccccc4)n4ncnc4c3c2C1 ZINC000002454457 564136041 /nfs/dbraw/zinc/13/60/41/564136041.db2.gz ZXVGMWQTOZQUQO-GFCCVEGCSA-N 0 0 349.463 4.076 50 0 EIAARN O=C(NC[C@H]1CCCO1)Nc1ccccc1-c1cc2ccccc2[nH]1 ZINC000013351485 564136260 /nfs/dbraw/zinc/13/62/60/564136260.db2.gz IQJAIYOCPWIZPY-OAHLLOKOSA-N 0 0 335.407 4.135 50 0 EIAARN Cc1nnc([C@@H](C)N(C)CCCc2cc(-c3ccccc3)no2)s1 ZINC000328586368 564136448 /nfs/dbraw/zinc/13/64/48/564136448.db2.gz CKNAWWQYAIPUIO-CYBMUJFWSA-N 0 0 342.468 4.127 50 0 EIAARN CCn1c2ccccc2nc1NC(=O)Nc1cc(Cl)ccc1OC ZINC000027923428 564137532 /nfs/dbraw/zinc/13/75/32/564137532.db2.gz JGOUHIQVCUFBFD-UHFFFAOYSA-N 0 0 344.802 4.362 50 0 EIAARN CCCc1nc([C@@H](Nc2nc3ccccc3o2)c2ccccc2)no1 ZINC000079111662 564137929 /nfs/dbraw/zinc/13/79/29/564137929.db2.gz PIEGBCFCZMGETB-KRWDZBQOSA-N 0 0 334.379 4.365 50 0 EIAARN CC(=O)Nc1c(C)ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c1C ZINC000079183164 564137971 /nfs/dbraw/zinc/13/79/71/564137971.db2.gz MHTGZLONLKAUDQ-CVEARBPZSA-N 0 0 340.398 4.143 50 0 EIAARN O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc(Cl)o1 ZINC000079650663 564138291 /nfs/dbraw/zinc/13/82/91/564138291.db2.gz YKKCMCYLRNMAPJ-UHFFFAOYSA-N 0 0 337.813 4.188 50 0 EIAARN CC[C@H](C(=O)NC1(c2cccs2)CCOCC1)c1ccccc1 ZINC000390828548 564138566 /nfs/dbraw/zinc/13/85/66/564138566.db2.gz RVAAZSIONKMSKH-INIZCTEOSA-N 0 0 329.465 4.064 50 0 EIAARN O=C(NCCCc1cc2ccccc2o1)NCc1ccc(F)cc1 ZINC000390829479 564138581 /nfs/dbraw/zinc/13/85/81/564138581.db2.gz DZRDTCJKJZNRCF-UHFFFAOYSA-N 0 0 326.371 4.004 50 0 EIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)Nc1c(F)cccc1F ZINC000390830039 564138626 /nfs/dbraw/zinc/13/86/26/564138626.db2.gz IJHXMDJYOADUGC-LLVKDONJSA-N 0 0 330.334 4.464 50 0 EIAARN O=C(NCCc1ccccc1)NCc1nc(C2CCCCC2)cs1 ZINC000390831555 564138675 /nfs/dbraw/zinc/13/86/75/564138675.db2.gz SMSYOWLXVZOMOA-UHFFFAOYSA-N 0 0 343.496 4.233 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)NCCc1ccc(-c2ccoc2)s1 ZINC000390831843 564138710 /nfs/dbraw/zinc/13/87/10/564138710.db2.gz VJWGTSDMJWOUES-AWEZNQCLSA-N 0 0 341.432 4.134 50 0 EIAARN CC[C@H](C)C(=O)N1CCC[C@H](c2nc([C@H]3CCC[C@H](C)C3)no2)C1 ZINC000390833115 564138758 /nfs/dbraw/zinc/13/87/58/564138758.db2.gz CFKJAJQYJDHQNB-VGWMRTNUSA-N 0 0 333.476 4.115 50 0 EIAARN Oc1ccccc1-c1nc(SCc2ccc3ncccc3c2)n[nH]1 ZINC000390835833 564139059 /nfs/dbraw/zinc/13/90/59/564139059.db2.gz ZIYKUALGJDQFPO-UHFFFAOYSA-N 0 0 334.404 4.018 50 0 EIAARN C[C@H]1C[C@@H](CNC(=O)Nc2ccccc2N(C)C2CCCC2)CCO1 ZINC000095458256 564140678 /nfs/dbraw/zinc/14/06/78/564140678.db2.gz FMUJCOXACXOINZ-HOTGVXAUSA-N 0 0 345.487 4.002 50 0 EIAARN CC(C)(CCCO)CNc1ccc2cccc(Br)c2n1 ZINC000095458796 564140716 /nfs/dbraw/zinc/14/07/16/564140716.db2.gz HEXPENJGADXEQG-UHFFFAOYSA-N 0 0 337.261 4.208 50 0 EIAARN O=C(CSc1cccs1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000095464437 564140930 /nfs/dbraw/zinc/14/09/30/564140930.db2.gz QFYNBWMEZJDCMW-CYBMUJFWSA-N 0 0 337.441 4.009 50 0 EIAARN CC(C)n1ccc2cc(C(=O)N3CCO[C@@H](c4ccccc4)C3)ccc21 ZINC000095475756 564141407 /nfs/dbraw/zinc/14/14/07/564141407.db2.gz IKJLIGUZOIAARE-OAQYLSRUSA-N 0 0 348.446 4.436 50 0 EIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc4[nH]ccc43)c12 ZINC000095480389 564141581 /nfs/dbraw/zinc/14/15/81/564141581.db2.gz ZDQAQVQPZASPQU-UHFFFAOYSA-N 0 0 347.422 4.134 50 0 EIAARN CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C)c2)C(=S)N1 ZINC000020642124 564141708 /nfs/dbraw/zinc/14/17/08/564141708.db2.gz WYZSRGCIGQIPJO-YLJYHZDGSA-N 0 0 338.476 4.492 50 0 EIAARN C[C@@H](c1cccnc1)N(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000095962074 564142727 /nfs/dbraw/zinc/14/27/27/564142727.db2.gz GPKXMOPMHAKDCH-ZDUSSCGKSA-N 0 0 349.409 4.480 50 0 EIAARN O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(CCO)cc1 ZINC000095961597 564142728 /nfs/dbraw/zinc/14/27/28/564142728.db2.gz SMPQATMYBXILDR-UHFFFAOYSA-N 0 0 338.234 4.100 50 0 EIAARN Cc1nnc([C@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000095987517 564143966 /nfs/dbraw/zinc/14/39/66/564143966.db2.gz UYVPWJHRQILOLQ-LKFCYVNXSA-N 0 0 325.334 4.199 50 0 EIAARN Cc1nc([C@H]2CCCCCN2C(=O)Nc2c(C)cccc2C)no1 ZINC000095999096 564144376 /nfs/dbraw/zinc/14/43/76/564144376.db2.gz IWHPSTHONPCOTN-OAHLLOKOSA-N 0 0 328.416 4.144 50 0 EIAARN CC(C)n1c(CNc2nnc(-c3ccccc3)o2)nc2ccccc21 ZINC000096003728 564144453 /nfs/dbraw/zinc/14/44/53/564144453.db2.gz MZHOEHFXSPZCNV-UHFFFAOYSA-N 0 0 333.395 4.279 50 0 EIAARN Cn1cc([C@@H]2CCCN2c2cnc3cc(Cl)c(Cl)cc3n2)cn1 ZINC000096007362 564144599 /nfs/dbraw/zinc/14/45/99/564144599.db2.gz WXMBGRSFEJDGQW-HNNXBMFYSA-N 0 0 348.237 4.012 50 0 EIAARN COC1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000096104502 564145307 /nfs/dbraw/zinc/14/53/07/564145307.db2.gz NIDILGHAHZGRGE-UHFFFAOYSA-N 0 0 344.842 4.208 50 0 EIAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)[C@@H]1CC=CCC1 ZINC000096119839 564145527 /nfs/dbraw/zinc/14/55/27/564145527.db2.gz VNMYIXXZXYOKLM-GFCCVEGCSA-N 0 0 331.462 4.013 50 0 EIAARN CO[C@H]1CCCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C1 ZINC000096122471 564145613 /nfs/dbraw/zinc/14/56/13/564145613.db2.gz UCLGGEGQYPGHTK-SFHVURJKSA-N 0 0 349.434 4.035 50 0 EIAARN COc1ccccc1NS(=O)(=O)/C=C/c1c(C)cc(C)cc1C ZINC000096137062 564145788 /nfs/dbraw/zinc/14/57/88/564145788.db2.gz ZWMLDOBSZDWNRI-MDZDMXLPSA-N 0 0 331.437 4.033 50 0 EIAARN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(C)nc3)nn21 ZINC000096194412 564145984 /nfs/dbraw/zinc/14/59/84/564145984.db2.gz KHLKPRDQOUPYAL-UHFFFAOYSA-N 0 0 347.403 4.278 50 0 EIAARN O=C(Nc1ccc(F)cc1F)N1Cc2cccn2-c2ccccc21 ZINC000021533977 564146157 /nfs/dbraw/zinc/14/61/57/564146157.db2.gz RYCMBYKSJWWEGR-UHFFFAOYSA-N 0 0 325.318 4.308 50 0 EIAARN CC(C)[C@@H](NC(=O)C1CCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276186 564146233 /nfs/dbraw/zinc/14/62/33/564146233.db2.gz JXBJEYPQWGBRDM-OAHLLOKOSA-N 0 0 347.846 4.394 50 0 EIAARN CCCN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccc(C)cc1 ZINC000096277269 564146317 /nfs/dbraw/zinc/14/63/17/564146317.db2.gz BOTGGRZJPGBJRT-UHFFFAOYSA-N 0 0 349.434 4.140 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3[nH]c(C(=O)NCC(C)C)cc3c2)cc1 ZINC000096278971 564146338 /nfs/dbraw/zinc/14/63/38/564146338.db2.gz NXBZFJMMVPFFAD-UHFFFAOYSA-N 0 0 349.434 4.114 50 0 EIAARN CC(C)[C@H](NC(=O)C1CCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096278774 564146341 /nfs/dbraw/zinc/14/63/41/564146341.db2.gz BHFNGDGEJLBRME-AWEZNQCLSA-N 0 0 333.819 4.003 50 0 EIAARN CCCn1c(C(=O)NCC(C)C)cc2scc(Br)c21 ZINC000096280433 564146375 /nfs/dbraw/zinc/14/63/75/564146375.db2.gz UKVCQKIRTAOTKS-UHFFFAOYSA-N 0 0 343.290 4.261 50 0 EIAARN Cn1cc(/C=C\C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cn1 ZINC000096288952 564146395 /nfs/dbraw/zinc/14/63/95/564146395.db2.gz PKJYLANOMZSZDA-WDZFZDKYSA-N 0 0 343.386 4.485 50 0 EIAARN Cc1ccc(Oc2nc(C)nc(N(C)Cc3ccccc3)c2N)cc1 ZINC000096286989 564146412 /nfs/dbraw/zinc/14/64/12/564146412.db2.gz KIPXZKVTUNLWSL-UHFFFAOYSA-N 0 0 334.423 4.104 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)C1CCC1)c1nc(-c2cccc(C)c2)no1 ZINC000096294232 564146514 /nfs/dbraw/zinc/14/65/14/564146514.db2.gz UWLQTNQTGCKBFH-CJNGLKHVSA-N 0 0 327.428 4.049 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)C1CCCC1)c1nc(-c2cccc(C)c2)no1 ZINC000096294236 564146528 /nfs/dbraw/zinc/14/65/28/564146528.db2.gz QZFONKIEVOEPFO-PBHICJAKSA-N 0 0 341.455 4.439 50 0 EIAARN CC/C=C(\C)C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000096295339 564146550 /nfs/dbraw/zinc/14/65/50/564146550.db2.gz UEOHWJKDTCTGCD-LNKIKWGQSA-N 0 0 341.480 4.267 50 0 EIAARN Cc1nn(C)c(C)c1/C=C\C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000096297580 564146624 /nfs/dbraw/zinc/14/66/24/564146624.db2.gz DFJFQPDZFGOYOJ-YPKPFQOOSA-N 0 0 346.430 4.461 50 0 EIAARN CC[C@H](C)[C@H](C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000007969772 564146900 /nfs/dbraw/zinc/14/69/00/564146900.db2.gz PVDCDPAPMMLEOF-LIRRHRJNSA-N 0 0 327.424 4.472 50 0 EIAARN CO[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000096388085 564146956 /nfs/dbraw/zinc/14/69/56/564146956.db2.gz KFDKHWZNHDCFME-SFHVURJKSA-N 0 0 329.415 4.241 50 0 EIAARN CO[C@H](CNC(=O)CCc1cccc(Cl)c1)c1ccccc1C ZINC000096389246 564146994 /nfs/dbraw/zinc/14/69/94/564146994.db2.gz AVOBKMFDBJLHCP-GOSISDBHSA-N 0 0 331.843 4.085 50 0 EIAARN C[C@H](NC(=O)/C=C\c1cccc2ccccc12)c1ccc2c(c1)OCO2 ZINC000096401444 564147077 /nfs/dbraw/zinc/14/70/77/564147077.db2.gz LSXMEODRYPMHFA-WQTVUKCASA-N 0 0 345.398 4.459 50 0 EIAARN Cc1csc(CNC(=O)Nc2cccc(-c3nc(C)cs3)c2)n1 ZINC000096403216 564147163 /nfs/dbraw/zinc/14/71/63/564147163.db2.gz QGRCHFXGLQVJJU-UHFFFAOYSA-N 0 0 344.465 4.205 50 0 EIAARN C[C@H](c1ccncc1)N(C)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000096413426 564147621 /nfs/dbraw/zinc/14/76/21/564147621.db2.gz LXZXHASYRZYMQQ-GFCCVEGCSA-N 0 0 332.835 4.026 50 0 EIAARN CCO[C@@H](C)c1nc(C(=O)N2CC[C@H](c3ccccc3C)C2)cs1 ZINC000096416439 564147775 /nfs/dbraw/zinc/14/77/75/564147775.db2.gz IYCADFIYQKBQHT-GJZGRUSLSA-N 0 0 344.480 4.179 50 0 EIAARN CCO[C@H](C)c1nc(CSc2ccc(NC(C)=O)cc2)cs1 ZINC000096418317 564147920 /nfs/dbraw/zinc/14/79/20/564147920.db2.gz GSWPPHJGAKSKCN-LLVKDONJSA-N 0 0 336.482 4.491 50 0 EIAARN Cc1cc(-c2noc(CCc3nnc(C4CCCC4)o3)n2)ccc1F ZINC000096471684 564148341 /nfs/dbraw/zinc/14/83/41/564148341.db2.gz WBLQVHVWCAEIRL-UHFFFAOYSA-N 0 0 342.374 4.010 50 0 EIAARN C[C@@H](C(=O)N(C)Cc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000096484814 564148654 /nfs/dbraw/zinc/14/86/54/564148654.db2.gz HUTZWRWELXTQDI-LLVKDONJSA-N 0 0 330.255 4.015 50 0 EIAARN Cc1cc(F)ccc1CNc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000097084919 564149380 /nfs/dbraw/zinc/14/93/80/564149380.db2.gz FDVCIWKTWXFACH-NRFANRHFSA-N 0 0 325.836 4.278 50 0 EIAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@H]1CCCS1 ZINC000097021732 564149160 /nfs/dbraw/zinc/14/91/60/564149160.db2.gz HHNILSYVIMOIAD-CHWSQXEVSA-N 0 0 341.546 4.173 50 0 EIAARN C[S@](=O)Cc1cc(NCc2ccc(F)cc2F)ccc1Cl ZINC000097084917 564149374 /nfs/dbraw/zinc/14/93/74/564149374.db2.gz KAYAMLIKWIBDFP-OAQYLSRUSA-N 0 0 329.799 4.109 50 0 EIAARN CC(C)Nc1cc(F)ccc1NC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000097230093 564149612 /nfs/dbraw/zinc/14/96/12/564149612.db2.gz OSLNSVIWHMGJAY-CQSZACIVSA-N 0 0 349.431 4.206 50 0 EIAARN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000028043313 564150167 /nfs/dbraw/zinc/15/01/67/564150167.db2.gz GYSDVZFNTDQCHB-MRXNPFEDSA-N 0 0 339.819 4.005 50 0 EIAARN O=C(NCc1cncc(-c2cccs2)c1)c1cccc(Cl)c1 ZINC000225666151 564150217 /nfs/dbraw/zinc/15/02/17/564150217.db2.gz HMVJWNAWPKIQEJ-UHFFFAOYSA-N 0 0 328.824 4.394 50 0 EIAARN C[C@@H](O)c1ccc(C2(CNC(=O)[C@H]3CC=CCC3)CCCC2)s1 ZINC000225682442 564150261 /nfs/dbraw/zinc/15/02/61/564150261.db2.gz JTWQXJOTPKTTAY-CABCVRRESA-N 0 0 333.497 4.086 50 0 EIAARN Cc1nn(-c2ccc(NC(=O)Cc3ccccc3)cc2)c(C)c1Cl ZINC000028246195 564150866 /nfs/dbraw/zinc/15/08/66/564150866.db2.gz NVHCQGCAXNETSS-UHFFFAOYSA-N 0 0 339.826 4.324 50 0 EIAARN CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccccc1 ZINC000002625863 564151326 /nfs/dbraw/zinc/15/13/26/564151326.db2.gz YFTRPIAFYIZOKK-UHFFFAOYSA-N 0 0 343.427 4.405 50 0 EIAARN CCc1ccc(C(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1 ZINC000002625443 564151329 /nfs/dbraw/zinc/15/13/29/564151329.db2.gz KSHXDMHLRSEIKR-UHFFFAOYSA-N 0 0 326.421 4.109 50 0 EIAARN Cc1ccccc1-c1nnc(SCCOc2ccccc2F)n1C ZINC000002628180 564151385 /nfs/dbraw/zinc/15/13/85/564151385.db2.gz IKJKOECFVPHKCT-UHFFFAOYSA-N 0 0 343.427 4.101 50 0 EIAARN O=C(CCCc1nc2ccccc2s1)NCc1ccccc1F ZINC000002635633 564151572 /nfs/dbraw/zinc/15/15/72/564151572.db2.gz NWIYPTABNIOAFQ-UHFFFAOYSA-N 0 0 328.412 4.075 50 0 EIAARN CCc1ccc(OCc2ccc(C(=O)N3CCC[C@H](C)C3)o2)cc1 ZINC000028576398 564151627 /nfs/dbraw/zinc/15/16/27/564151627.db2.gz KTZSPGJUPLMMQH-HNNXBMFYSA-N 0 0 327.424 4.293 50 0 EIAARN O=C(CSc1nncs1)Nc1ccc(Oc2ccccc2)cc1 ZINC000002641348 564151697 /nfs/dbraw/zinc/15/16/97/564151697.db2.gz GJNJOFYQESWQFL-UHFFFAOYSA-N 0 0 343.433 4.061 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NCc1ccc(C)cc1 ZINC000002762043 564152513 /nfs/dbraw/zinc/15/25/13/564152513.db2.gz USBNSRQUCFCLSI-BUHFOSPRSA-N 0 0 345.446 4.127 50 0 EIAARN Cc1ccc([C@@H]2C[C@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 ZINC000002786798 564152638 /nfs/dbraw/zinc/15/26/38/564152638.db2.gz KUBBTCLXNNKWNA-LSDHHAIUSA-N 0 0 346.459 4.407 50 0 EIAARN Cc1cccc(NC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)c1 ZINC000002794801 564152679 /nfs/dbraw/zinc/15/26/79/564152679.db2.gz GPKPSRSHLBWZBK-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000162362957 564152793 /nfs/dbraw/zinc/15/27/93/564152793.db2.gz XSGUNYGKISHMIP-KFWWJZLASA-N 0 0 347.421 4.353 50 0 EIAARN CC[C@H](C)N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000057142916 564153280 /nfs/dbraw/zinc/15/32/80/564153280.db2.gz WGBOXHUGMHGKEO-AWEZNQCLSA-N 0 0 335.403 4.410 50 0 biogenic EIAARN CC[C@@H](NC(=O)N[C@H](C)c1cccc(NC(C)=O)c1)c1cccs1 ZINC000057243504 564153455 /nfs/dbraw/zinc/15/34/55/564153455.db2.gz FPUFRAGFUGONBD-MLGOLLRUSA-N 0 0 345.468 4.218 50 0 EIAARN Cc1ncsc1C(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000057357326 564153695 /nfs/dbraw/zinc/15/36/95/564153695.db2.gz AVDOUHUGTOAROC-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN COc1ccc2nc(C)c(C(=O)N[C@H](C)CCc3ccccc3)cc2c1 ZINC000029697406 564153745 /nfs/dbraw/zinc/15/37/45/564153745.db2.gz GYQCTLFHDZIRGQ-OAHLLOKOSA-N 0 0 348.446 4.303 50 0 EIAARN Cc1cc(=O)oc2c1cc(Cl)c1c2CN(C2CCCCC2)CO1 ZINC000057405783 564153974 /nfs/dbraw/zinc/15/39/74/564153974.db2.gz YFHMJQJLODBRLA-UHFFFAOYSA-N 0 0 333.815 4.239 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1F ZINC000057412349 564154072 /nfs/dbraw/zinc/15/40/72/564154072.db2.gz TVESSPFTMCECKC-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)ccc1F ZINC000057412671 564154112 /nfs/dbraw/zinc/15/41/12/564154112.db2.gz SWHYOCNKZKKAPY-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN Cc1cccc(N(C)C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000057412717 564154169 /nfs/dbraw/zinc/15/41/69/564154169.db2.gz NTKKMWQXNJXCHK-UHFFFAOYSA-N 0 0 325.799 4.315 50 0 EIAARN CCc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000057413674 564154209 /nfs/dbraw/zinc/15/42/09/564154209.db2.gz OHXKUWCNHRMHGQ-UHFFFAOYSA-N 0 0 339.826 4.223 50 0 EIAARN COCCn1cc(C(=O)Nc2cnc3ccccc3c2)c2ccccc21 ZINC000057430143 564154279 /nfs/dbraw/zinc/15/42/79/564154279.db2.gz NHEZXUSKXKHSCS-UHFFFAOYSA-N 0 0 345.402 4.088 50 0 EIAARN CCc1noc([C@H](C)Sc2nc(C)c(Cc3ccccc3)[nH]2)n1 ZINC000057467074 564154401 /nfs/dbraw/zinc/15/44/01/564154401.db2.gz SMVPCYSTHUDWHJ-LBPRGKRZSA-N 0 0 328.441 4.108 50 0 EIAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccc(O)cc2)cc1 ZINC000003066282 564154917 /nfs/dbraw/zinc/15/49/17/564154917.db2.gz UGPGYDXZYTZXRN-UHFFFAOYSA-N 0 0 339.416 4.228 50 0 EIAARN Cc1cccc(Nc2nc3nonc3nc2Nc2ccccc2C)c1 ZINC000003096696 564155123 /nfs/dbraw/zinc/15/51/23/564155123.db2.gz LQOXVLGYYICWAW-UHFFFAOYSA-N 0 0 332.367 4.117 50 0 EIAARN CCOC(=O)c1c(NC(=O)C2(C)CCCC2)sc2c1CCCC2 ZINC000003178412 564155695 /nfs/dbraw/zinc/15/56/95/564155695.db2.gz LWWMDRXWYYXPKM-UHFFFAOYSA-N 0 0 335.469 4.322 50 0 EIAARN CC[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000003217628 564156126 /nfs/dbraw/zinc/15/61/26/564156126.db2.gz XJVIDQWHTPOLJY-INIZCTEOSA-N 0 0 331.799 4.016 50 0 EIAARN O=C(CSc1nnc(NCc2ccccc2)s1)c1cccs1 ZINC000003221284 564156207 /nfs/dbraw/zinc/15/62/07/564156207.db2.gz BIEIVQATJHEDFO-UHFFFAOYSA-N 0 0 347.490 4.187 50 0 EIAARN COc1ccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000057863883 564156260 /nfs/dbraw/zinc/15/62/60/564156260.db2.gz IYNXTPVFSMRNFJ-UHFFFAOYSA-N 0 0 325.412 4.330 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)COc2ncnc3ccccc32)cc1 ZINC000003273337 564156837 /nfs/dbraw/zinc/15/68/37/564156837.db2.gz QVPUQASDPSPUPT-AWEZNQCLSA-N 0 0 335.407 4.161 50 0 EIAARN COc1ccc(CC(=O)OCc2csc(-c3ccccc3)n2)cc1 ZINC000003275737 564156871 /nfs/dbraw/zinc/15/68/71/564156871.db2.gz GWWHAJNSXBBHFJ-UHFFFAOYSA-N 0 0 339.416 4.105 50 0 EIAARN O=C(Nc1ccccc1)Nc1c(=O)oc2ccccc2c1N1CCCC1 ZINC000058007036 564157156 /nfs/dbraw/zinc/15/71/56/564157156.db2.gz MWDUQEXVCWLECC-UHFFFAOYSA-N 0 0 349.390 4.037 50 0 EIAARN Cc1cccn2cc(-c3ccc(NC(=O)OCC(F)(F)F)cc3)nc12 ZINC000058018560 564157244 /nfs/dbraw/zinc/15/72/44/564157244.db2.gz QGLDCRIKWVWIGT-UHFFFAOYSA-N 0 0 349.312 4.421 50 0 EIAARN CCc1ccc(NC(=O)N2CCCN(Cc3ccccc3F)C2)cc1 ZINC000058096517 564157582 /nfs/dbraw/zinc/15/75/82/564157582.db2.gz STFCWGLBPYYJGI-UHFFFAOYSA-N 0 0 341.430 4.085 50 0 EIAARN Cc1noc(C)c1CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000003457731 564158241 /nfs/dbraw/zinc/15/82/41/564158241.db2.gz FDYDHQOETDZWKB-UHFFFAOYSA-N 0 0 340.452 4.101 50 0 EIAARN Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000003506986 564158587 /nfs/dbraw/zinc/15/85/87/564158587.db2.gz BEQYYFKLXXXDDO-UHFFFAOYSA-N 0 0 343.839 4.111 50 0 EIAARN C[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003514584 564158633 /nfs/dbraw/zinc/15/86/33/564158633.db2.gz SAEOMQWLRCOZAQ-CQSZACIVSA-N 0 0 335.359 4.131 50 0 EIAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1 ZINC000003526209 564158738 /nfs/dbraw/zinc/15/87/38/564158738.db2.gz USZNADVICOZXQY-UHFFFAOYSA-N 0 0 348.280 4.112 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2)c2cccnc12 ZINC000031092099 564158766 /nfs/dbraw/zinc/15/87/66/564158766.db2.gz FCNKUYXZHAGYCK-UHFFFAOYSA-N 0 0 326.783 4.214 50 0 EIAARN Cc1ccc(-c2csc3ncn(Cc4ccccn4)c(=O)c23)cc1C ZINC000031748168 564159763 /nfs/dbraw/zinc/15/97/63/564159763.db2.gz MSMLRINABVGWJD-UHFFFAOYSA-N 0 0 347.443 4.185 50 0 EIAARN Cc1ccc(-n2cc(C(=O)Nc3ccc(Cl)cc3Cl)nn2)cc1 ZINC000031731143 564159764 /nfs/dbraw/zinc/15/97/64/564159764.db2.gz CXYLVAQALMPCJU-UHFFFAOYSA-N 0 0 347.205 4.135 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000031802920 564159863 /nfs/dbraw/zinc/15/98/63/564159863.db2.gz QZPGTSGSYQVUEN-UHFFFAOYSA-N 0 0 347.418 4.086 50 0 EIAARN COC(=O)c1ccc([C@@H](C)Sc2n[nH]c(-c3ccc(C)cc3)n2)o1 ZINC000031843888 564160041 /nfs/dbraw/zinc/16/00/41/564160041.db2.gz JTHSDERPZXVOHH-LLVKDONJSA-N 0 0 343.408 4.013 50 0 EIAARN CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000004023124 564160070 /nfs/dbraw/zinc/16/00/70/564160070.db2.gz LDIFWCUQQYZOLG-VDEYYEQSSA-N 0 0 346.511 4.020 50 0 biogenic EIAARN Cc1nc(-c2ccc([C@H]3CCCO3)s2)n(Cc2ccccc2)n1 ZINC000670456708 564160321 /nfs/dbraw/zinc/16/03/21/564160321.db2.gz YZXVDUINDYKIDG-OAHLLOKOSA-N 0 0 325.437 4.215 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)n1 ZINC000032025251 564160504 /nfs/dbraw/zinc/16/05/04/564160504.db2.gz DOARSCQLVBVVKH-UHFFFAOYSA-N 0 0 341.773 4.497 50 0 EIAARN Cc1nc(NC(=O)Cc2csc(-c3cccs3)n2)sc1C ZINC000032073497 564160630 /nfs/dbraw/zinc/16/06/30/564160630.db2.gz BMSRWBNABKRBHC-UHFFFAOYSA-N 0 0 335.479 4.126 50 0 EIAARN CC(=O)N(CCC(C)(C)Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000032124163 564160897 /nfs/dbraw/zinc/16/08/97/564160897.db2.gz WLCTXZBTLSUXCA-IBGZPJMESA-N 0 0 331.500 4.452 50 0 biogenic EIAARN Cc1nnc(SCc2cc(F)cc(F)c2)n1-c1cccc(C)c1 ZINC000004186447 564161080 /nfs/dbraw/zinc/16/10/80/564161080.db2.gz IJIHPFTUKWBOPC-UHFFFAOYSA-N 0 0 331.391 4.455 50 0 EIAARN O=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCSc2ccccc21 ZINC000032339697 564161253 /nfs/dbraw/zinc/16/12/53/564161253.db2.gz DUQGQRIRIULQDW-LJQANCHMSA-N 0 0 348.471 4.373 50 0 EIAARN COc1cccc(CC(=O)N[C@H](c2cccs2)C2CCCC2)c1 ZINC000032398261 564161352 /nfs/dbraw/zinc/16/13/52/564161352.db2.gz FKQRHTWBXRWFGQ-IBGZPJMESA-N 0 0 329.465 4.347 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(C2CCCCC2)cc1 ZINC000059499168 564161426 /nfs/dbraw/zinc/16/14/26/564161426.db2.gz YLVIYCZOEHYNLI-UHFFFAOYSA-N 0 0 337.419 4.393 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000263498815 564162271 /nfs/dbraw/zinc/16/22/71/564162271.db2.gz KHHRUFCKGUPURP-WBAXXEDZSA-N 0 0 343.398 4.303 50 0 EIAARN C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc21)c1ccccn1 ZINC000008053987 564162412 /nfs/dbraw/zinc/16/24/12/564162412.db2.gz IBIABEILFVRRRL-CQSZACIVSA-N 0 0 327.391 4.260 50 0 EIAARN COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1Cl ZINC000008061161 564162445 /nfs/dbraw/zinc/16/24/45/564162445.db2.gz FTUAWPXISUTTJI-UHFFFAOYSA-N 0 0 341.798 4.161 50 0 EIAARN O=C(c1cc(-c2csc(-c3cccs3)n2)c[nH]1)N1CCCC1 ZINC000008076388 564162546 /nfs/dbraw/zinc/16/25/46/564162546.db2.gz QNWRWPYXUZQYGB-UHFFFAOYSA-N 0 0 329.450 4.103 50 0 EIAARN Cn1c(SCc2csc(-c3cccs3)n2)nnc1C1CC1 ZINC000008075748 564162553 /nfs/dbraw/zinc/16/25/53/564162553.db2.gz JZEBPGASMYODNB-UHFFFAOYSA-N 0 0 334.495 4.170 50 0 EIAARN Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000008078488 564162587 /nfs/dbraw/zinc/16/25/87/564162587.db2.gz HVGORPLHJIVSKN-STQMWFEESA-N 0 0 339.464 4.280 50 0 EIAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000008122546 564162839 /nfs/dbraw/zinc/16/28/39/564162839.db2.gz MQXGJLLLXBMBTP-INIZCTEOSA-N 0 0 332.444 4.148 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000263533620 564162952 /nfs/dbraw/zinc/16/29/52/564162952.db2.gz XXTKDLWLVLBGCD-YUTCNCBUSA-N 0 0 348.493 4.089 50 0 EIAARN C[C@H](Sc1nc2ccccc2n1C)C(=O)c1c[nH]c2ccccc21 ZINC000008134444 564163119 /nfs/dbraw/zinc/16/31/19/564163119.db2.gz LRIIDKYXDYORRB-LBPRGKRZSA-N 0 0 335.432 4.418 50 0 EIAARN C[C@H](Sc1ncnc2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000008188843 564163432 /nfs/dbraw/zinc/16/34/32/564163432.db2.gz DTPHTCIKTDSXPO-LBPRGKRZSA-N 0 0 333.416 4.475 50 0 EIAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(s1)CCCCC2 ZINC000008192384 564163464 /nfs/dbraw/zinc/16/34/64/564163464.db2.gz LXVRLRUBHGXXDK-UHFFFAOYSA-N 0 0 343.448 4.018 50 0 EIAARN O=C(CSc1n[nH]c(-c2cccs2)n1)c1cc2ccccc2o1 ZINC000008231055 564163714 /nfs/dbraw/zinc/16/37/14/564163714.db2.gz VNQCPLYLCPKEIS-UHFFFAOYSA-N 0 0 341.417 4.254 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)OCc1nc2ccccc2o1 ZINC000008276148 564163970 /nfs/dbraw/zinc/16/39/70/564163970.db2.gz KLWMWALEFBITSH-UHFFFAOYSA-N 0 0 334.331 4.148 50 0 EIAARN CCOCc1ccc(C(=O)Nc2ccc(C)cc2Br)o1 ZINC000008328029 564164487 /nfs/dbraw/zinc/16/44/87/564164487.db2.gz DXPQENSTBYOJAD-UHFFFAOYSA-N 0 0 338.201 4.139 50 0 EIAARN O=C(CSC1=NCCS1)Nc1ccccc1Oc1ccccc1 ZINC000008329403 564164509 /nfs/dbraw/zinc/16/45/09/564164509.db2.gz CNNDCABRTXVTJV-UHFFFAOYSA-N 0 0 344.461 4.253 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067024737 564164962 /nfs/dbraw/zinc/16/49/62/564164962.db2.gz LAEZNIWVWJBZCD-SJORKVTESA-N 0 0 327.403 4.270 50 0 EIAARN O=C(Nc1ccc(C(=O)NC2CCCCCC2)cc1)c1cccs1 ZINC000008393602 564165041 /nfs/dbraw/zinc/16/50/41/564165041.db2.gz KQBDLKVJMSPVLB-UHFFFAOYSA-N 0 0 342.464 4.453 50 0 EIAARN CC[C@@H](C(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000008406126 564165171 /nfs/dbraw/zinc/16/51/71/564165171.db2.gz XSAPWAIXKQLCRM-LJQANCHMSA-N 0 0 338.451 4.301 50 0 EIAARN CC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000008429667 564165308 /nfs/dbraw/zinc/16/53/08/564165308.db2.gz IOPSYCPQTUGECU-UHFFFAOYSA-N 0 0 345.402 4.264 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000008536036 564165629 /nfs/dbraw/zinc/16/56/29/564165629.db2.gz GRJBZKMIGZNOMW-UHFFFAOYSA-N 0 0 332.363 4.087 50 0 EIAARN Cc1nn([C@@H](C)c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1Cl ZINC000008548549 564165656 /nfs/dbraw/zinc/16/56/56/564165656.db2.gz NFAHSAUGJFVJOJ-IWERZKIRSA-N 0 0 346.862 4.305 50 0 EIAARN C/C(Cl)=C\Cc1c(C)[nH]c2ccc(Br)cc2c1=O ZINC000008574692 564165799 /nfs/dbraw/zinc/16/57/99/564165799.db2.gz GQSFVVFEQSSPDF-FPYGCLRLSA-N 0 0 326.621 4.284 50 0 EIAARN CC(C)Oc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 ZINC000008586568 564165891 /nfs/dbraw/zinc/16/58/91/564165891.db2.gz HOTPJBNXALDZEP-UHFFFAOYSA-N 0 0 336.391 4.309 50 0 EIAARN CCN(Cc1nc(-c2cccnc2)no1)[C@@H](C)c1cc2ccccc2o1 ZINC000067458349 564165957 /nfs/dbraw/zinc/16/59/57/564165957.db2.gz TZGNHUMUBFGJKU-AWEZNQCLSA-N 0 0 348.406 4.461 50 0 EIAARN Cc1cc(CC(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)no1 ZINC000172013104 564166397 /nfs/dbraw/zinc/16/63/97/564166397.db2.gz RPXDRFOHCWTKTH-QGZVFWFLSA-N 0 0 346.839 4.146 50 0 EIAARN C[C@H](Sc1ncnc2ccccc21)C(=O)Nc1ccc2c(c1)CCC2 ZINC000008705490 564166488 /nfs/dbraw/zinc/16/64/88/564166488.db2.gz MRAFRONYQXSARA-ZDUSSCGKSA-N 0 0 349.459 4.238 50 0 EIAARN COc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c(OC)c1 ZINC000008707337 564166531 /nfs/dbraw/zinc/16/65/31/564166531.db2.gz DOAOQEPHCZHHOH-UHFFFAOYSA-N 0 0 336.391 4.055 50 0 EIAARN C[C@@H](Sc1ncc2ccccn21)C(=O)Nc1ccccc1Cl ZINC000008710136 564166617 /nfs/dbraw/zinc/16/66/17/564166617.db2.gz GLPOXWAQMCVBSX-LLVKDONJSA-N 0 0 331.828 4.107 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccccc2N2CCCC2)N1C1CC1 ZINC000008721306 564166942 /nfs/dbraw/zinc/16/69/42/564166942.db2.gz LCZCIUHSMNMDBD-FQEVSTJZSA-N 0 0 333.435 4.016 50 0 EIAARN CC(=O)c1ccccc1OCCSc1nnc(-c2ccoc2C)o1 ZINC000008734064 564167069 /nfs/dbraw/zinc/16/70/69/564167069.db2.gz PQLJISAQXBVBOV-UHFFFAOYSA-N 0 0 344.392 4.012 50 0 EIAARN CN(C)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000008991381 564168472 /nfs/dbraw/zinc/16/84/72/564168472.db2.gz FDDAOPCLRIVBLL-UHFFFAOYSA-N 0 0 335.451 4.485 50 0 EIAARN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H]1c1ccsc1 ZINC000245224728 564168726 /nfs/dbraw/zinc/16/87/26/564168726.db2.gz CKXDBHNPQDYMHZ-BZNIZROVSA-N 0 0 336.407 4.190 50 0 EIAARN CCN(C(=O)c1cccnc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000069458174 564169688 /nfs/dbraw/zinc/16/96/88/564169688.db2.gz YGEIWCQQFWIYFR-FQEVSTJZSA-N 0 0 349.409 4.176 50 0 EIAARN O=C(CCCOc1ccccc1Cl)N1CCC[C@H]1c1ccccn1 ZINC000069484089 564169796 /nfs/dbraw/zinc/16/97/96/564169796.db2.gz JAHCFECYTSCRQI-KRWDZBQOSA-N 0 0 344.842 4.258 50 0 EIAARN COc1cccc(C[S@](=O)Cc2nc(-c3ccccc3)oc2C)c1 ZINC000069491121 564169927 /nfs/dbraw/zinc/16/99/27/564169927.db2.gz YNQHQZLPFNMXPY-XMMPIXPASA-N 0 0 341.432 4.108 50 0 EIAARN Cc1nnc(SCc2noc(-c3ccoc3)n2)n1C1CCCCC1 ZINC000069559127 564170413 /nfs/dbraw/zinc/17/04/13/564170413.db2.gz DEFRUICETQMKJP-UHFFFAOYSA-N 0 0 345.428 4.027 50 0 EIAARN CC[C@H]1CCCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000069570823 564170613 /nfs/dbraw/zinc/17/06/13/564170613.db2.gz CKFTTWYXDCPDHA-ACBHZAAOSA-N 0 0 348.531 4.033 50 0 EIAARN CCC[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000069587689 564170701 /nfs/dbraw/zinc/17/07/01/564170701.db2.gz YZRRDVICVALJKC-AWEZNQCLSA-N 0 0 346.496 4.163 50 0 EIAARN O=C(NC1CCC(C(=O)Nc2ccccc2Cl)CC1)C1CCCC1 ZINC000069588615 564170732 /nfs/dbraw/zinc/17/07/32/564170732.db2.gz YSQKIKXEBCCJQN-UHFFFAOYSA-N 0 0 348.874 4.144 50 0 EIAARN O=C(C[C@@H]1OCCc2sccc21)N(Cc1ccsc1)C1CC1 ZINC000069595044 564170823 /nfs/dbraw/zinc/17/08/23/564170823.db2.gz WFUDEIYLKOIAFX-HNNXBMFYSA-N 0 0 333.478 4.005 50 0 EIAARN C[C@H](NC(=O)/C=C/c1ccccn1)c1nc(-c2ccccc2)cs1 ZINC000069705306 564171654 /nfs/dbraw/zinc/17/16/54/564171654.db2.gz QTCZBMRRESAERN-VNDWYCCKSA-N 0 0 335.432 4.096 50 0 EIAARN Cc1occc1C(=O)N(C)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000069704430 564171662 /nfs/dbraw/zinc/17/16/62/564171662.db2.gz UZZHXIQQSSKORZ-GOSISDBHSA-N 0 0 342.345 4.123 50 0 EIAARN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1 ZINC000069737212 564171801 /nfs/dbraw/zinc/17/18/01/564171801.db2.gz IXSKXQWLPRYVKO-UHFFFAOYSA-N 0 0 348.805 4.212 50 0 EIAARN CO[C@H](C)c1cccc(NC(=O)Cc2nc(-c3ccco3)oc2C)c1 ZINC000069738981 564171838 /nfs/dbraw/zinc/17/18/38/564171838.db2.gz DGARJUGWZITOSO-GFCCVEGCSA-N 0 0 340.379 4.132 50 0 EIAARN Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)N(C)Cc1ccncc1 ZINC000069770467 564171996 /nfs/dbraw/zinc/17/19/96/564171996.db2.gz QYHMEPYOMDTGPU-ZDUSSCGKSA-N 0 0 341.386 4.178 50 0 EIAARN Cc1ccsc1-c1nnc(S[C@@H](C)c2nc(C(C)C)no2)o1 ZINC000069773507 564172088 /nfs/dbraw/zinc/17/20/88/564172088.db2.gz XUUJSRJOYPCJKE-VIFPVBQESA-N 0 0 336.442 4.466 50 0 EIAARN O=C(CCc1ccco1)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000069811908 564172285 /nfs/dbraw/zinc/17/22/85/564172285.db2.gz NRTFKTBPPXYZJS-HNNXBMFYSA-N 0 0 338.407 4.146 50 0 EIAARN CCOc1ccccc1NC(=O)CNc1ccc2c3c(cccc31)CC2 ZINC000009339089 564172805 /nfs/dbraw/zinc/17/28/05/564172805.db2.gz GJWXRQIXKHWPGP-UHFFFAOYSA-N 0 0 346.430 4.388 50 0 EIAARN CNC(=O)c1nc(-c2ccc(C)cc2)oc1Sc1ccc(C)cc1 ZINC000041154822 564173538 /nfs/dbraw/zinc/17/35/38/564173538.db2.gz FUEVJWZWWDMRDG-UHFFFAOYSA-N 0 0 338.432 4.469 50 0 EIAARN CCCCOc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1 ZINC000041155746 564173572 /nfs/dbraw/zinc/17/35/72/564173572.db2.gz RMBLVTAXCHANHN-HNNXBMFYSA-N 0 0 325.408 4.293 50 0 EIAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C)c2ncccc12 ZINC000041157037 564173624 /nfs/dbraw/zinc/17/36/24/564173624.db2.gz VASZMUPBQXDKHU-KRWDZBQOSA-N 0 0 338.382 4.478 50 0 EIAARN Cc1cc(NC(=O)Nc2ccc3c(c2)OCO3)ccc1Br ZINC000041450295 564173905 /nfs/dbraw/zinc/17/39/05/564173905.db2.gz WZHCNZZLAQAIOD-UHFFFAOYSA-N 0 0 349.184 4.130 50 0 EIAARN CC(C)c1noc(-c2ccc(NC(=O)[C@H](C)OC3CCCC3)cc2)n1 ZINC000070816847 564174400 /nfs/dbraw/zinc/17/44/00/564174400.db2.gz ZHFLYOZDWRAGSD-ZDUSSCGKSA-N 0 0 343.427 4.146 50 0 EIAARN CCOc1ccccc1-c1noc(CN2c3ccccc3CC[C@@H]2C)n1 ZINC000009682351 564174432 /nfs/dbraw/zinc/17/44/32/564174432.db2.gz RSHDSIRUJOCWJX-HNNXBMFYSA-N 0 0 349.434 4.477 50 0 EIAARN CCC(=O)Nc1ccc([C@@H](C)Nc2nccc(C(F)(F)F)n2)cc1 ZINC000042105015 564174663 /nfs/dbraw/zinc/17/46/63/564174663.db2.gz QYCOAOWYJBILSZ-SNVBAGLBSA-N 0 0 338.333 4.017 50 0 EIAARN CCOC(=O)c1cnc2cc(OC)cc(OC)c2c1-c1ccccc1 ZINC000071328696 564174941 /nfs/dbraw/zinc/17/49/41/564174941.db2.gz XARRKCAPZHVHJK-UHFFFAOYSA-N 0 0 337.375 4.096 50 0 EIAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc(F)cc1F ZINC000071800743 564175504 /nfs/dbraw/zinc/17/55/04/564175504.db2.gz BEEWVWWMJSMOSC-XFFZJAGNSA-N 0 0 344.748 4.272 50 0 EIAARN CCSc1ccc([C@@H](C)NC(=O)N(C)Cc2ccncc2)cc1 ZINC000071803471 564175532 /nfs/dbraw/zinc/17/55/32/564175532.db2.gz FSBIITSHLFRMGJ-CQSZACIVSA-N 0 0 329.469 4.096 50 0 EIAARN COc1ccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1OC ZINC000071807621 564175555 /nfs/dbraw/zinc/17/55/55/564175555.db2.gz SBLBWAQGLWCKMS-CQSZACIVSA-N 0 0 342.439 4.266 50 0 EIAARN CCNc1nc(Sc2cnc3ccccc3n2)nc2ccccc21 ZINC000071836362 564175802 /nfs/dbraw/zinc/17/58/02/564175802.db2.gz DTJVDCUMTQMFAO-UHFFFAOYSA-N 0 0 333.420 4.156 50 0 EIAARN CC[C@H](c1ccccc1)N(CC)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000071844136 564175906 /nfs/dbraw/zinc/17/59/06/564175906.db2.gz UGSCCGRNAJAYCY-RDTXWAMCSA-N 0 0 327.472 4.140 50 0 EIAARN CCn1nc(C)c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000071862890 564176138 /nfs/dbraw/zinc/17/61/38/564176138.db2.gz OHAMSKFOOYDVPU-JTQLQIEISA-N 0 0 339.361 4.030 50 0 EIAARN C[C@@H](NCc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000073984416 564176414 /nfs/dbraw/zinc/17/64/14/564176414.db2.gz BUYZEEOZKOGDTF-SNVBAGLBSA-N 0 0 327.350 4.237 50 0 EIAARN Cc1cncc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)c1 ZINC000074727935 564176443 /nfs/dbraw/zinc/17/64/43/564176443.db2.gz LBPIARJFBINATO-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN CCN(C(=O)c1sc(-c2ccc(F)cc2)nc1C)c1ccncc1 ZINC000074019082 564176460 /nfs/dbraw/zinc/17/64/60/564176460.db2.gz AMFSIUVYXULWRE-UHFFFAOYSA-N 0 0 341.411 4.319 50 0 EIAARN CC[C@H]1CN(C(=O)c2oc(-c3ccccc3)nc2C)c2ccccc2O1 ZINC000074065401 564176466 /nfs/dbraw/zinc/17/64/66/564176466.db2.gz YYSQNLLPAKELDG-INIZCTEOSA-N 0 0 348.402 4.468 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000077711868 564176850 /nfs/dbraw/zinc/17/68/50/564176850.db2.gz WGHKCCUAPKIHMY-LJQANCHMSA-N 0 0 349.438 4.477 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1ccc(Oc2nccs2)cc1 ZINC000077890248 564176886 /nfs/dbraw/zinc/17/68/86/564176886.db2.gz XDBIGOJYMQKPND-UHFFFAOYSA-N 0 0 328.368 4.005 50 0 EIAARN O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1F ZINC000034907472 564177542 /nfs/dbraw/zinc/17/75/42/564177542.db2.gz RRJNPVZRBUPBQG-UHFFFAOYSA-N 0 0 333.725 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O=C(N[C@H]1CCCOCC1)N(Cc1ccccc1)C1CCCCC1 ZINC000181813602 1050342364 /nfs/dbraw/zinc/34/23/64/1050342364.db2.gz IMDKUEUNCILODR-SFHVURJKSA-N 0 0 330.472 4.100 50 0 EIAARN C[C@@H](NC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)c1nccs1 ZINC000182622250 1050770031 /nfs/dbraw/zinc/77/00/31/1050770031.db2.gz NCTSBIOMGQDEEE-CYBMUJFWSA-N 0 0 343.496 4.270 50 0 EIAARN Cc1nc(CN(C)Cc2csc(-c3ccc(C(C)C)cc3)n2)no1 ZINC000183707974 1051312493 /nfs/dbraw/zinc/31/24/93/1051312493.db2.gz XTUKWDKSGSYMGJ-UHFFFAOYSA-N 0 0 342.468 4.257 50 0 EIAARN CCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(C)c2)c1 ZINC000006706355 1055289649 /nfs/dbraw/zinc/28/96/49/1055289649.db2.gz PTVFXUXQKFRJQJ-IBGZPJMESA-N 0 0 340.448 4.122 50 0 EIAARN O=C(Nc1ccccc1)N1CCCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000581776186 1059982575 /nfs/dbraw/zinc/98/25/75/1059982575.db2.gz JNIGTBKZZHDKQM-QGZVFWFLSA-N 0 0 347.422 4.231 50 0 EIAARN CCOc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 ZINC000050327584 214053463 /nfs/dbraw/zinc/05/34/63/214053463.db2.gz CBFLIPVUSCVQDZ-UHFFFAOYSA-N 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Cc1noc2nc(C)cc(C(=O)Nc3cccc(Cl)c3Cl)c12 ZINC000054842938 214258152 /nfs/dbraw/zinc/25/81/52/214258152.db2.gz BRWMRCWGCUCSIA-UHFFFAOYSA-N 0 0 336.178 4.399 50 0 EIAARN COc1ccccc1CN(C(=O)Cc1ccc(SC)cc1)C1CC1 ZINC000055182914 214284431 /nfs/dbraw/zinc/28/44/31/214284431.db2.gz ONDZKRMFFTYNMU-UHFFFAOYSA-N 0 0 341.476 4.151 50 0 EIAARN CCN(C(=O)c1cc2cc(C)ccc2nc1C)[C@@H]1CCOC(C)(C)C1 ZINC000055254098 214296797 /nfs/dbraw/zinc/29/67/97/214296797.db2.gz JBMLNYKYIGQIDM-QGZVFWFLSA-N 0 0 340.467 4.271 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2cc3sccc3[nH]2)cc1Cl ZINC000055324816 214306152 /nfs/dbraw/zinc/30/61/52/214306152.db2.gz CUUXJDCRXLFZPT-UHFFFAOYSA-N 0 0 347.827 4.484 50 0 EIAARN Fc1ccc(CN(Cc2ccc(Cl)nc2)C[C@H]2CCCO2)cc1 ZINC000055371232 214313609 /nfs/dbraw/zinc/31/36/09/214313609.db2.gz TXOLCDCXYOLKLU-QGZVFWFLSA-N 0 0 334.822 4.055 50 0 EIAARN CCn1cncc1CNC(=O)c1cc(-c2ccccc2Cl)oc1C ZINC000055393217 214316933 /nfs/dbraw/zinc/31/69/33/214316933.db2.gz MIYBZHFXNGVHPF-UHFFFAOYSA-N 0 0 343.814 4.055 50 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338.451 4.374 50 0 EIAARN CCOCCCC(=O)Nc1cccc(Cl)c1Oc1cccnc1 ZINC000056168099 214362958 /nfs/dbraw/zinc/36/29/58/214362958.db2.gz QEIDTSJEHLWXLV-UHFFFAOYSA-N 0 0 334.803 4.283 50 0 EIAARN O=C(NCc1ccncc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000056651330 214382309 /nfs/dbraw/zinc/38/23/09/214382309.db2.gz MITIBRAWSDRYCT-UHFFFAOYSA-N 0 0 329.709 4.076 50 0 EIAARN Cc1csc(COc2ccc(C(=O)Nc3nc(C)cs3)cc2)n1 ZINC000056907707 214395670 /nfs/dbraw/zinc/39/56/70/214395670.db2.gz YLVCNKUAGOAVFT-UHFFFAOYSA-N 0 0 345.449 4.048 50 0 EIAARN O=C(Nc1ccc(F)cc1F)C1(c2cc(-c3ccccc3)on2)CC1 ZINC000056907495 214395703 /nfs/dbraw/zinc/39/57/03/214395703.db2.gz HCMSMWHGSCHHGU-UHFFFAOYSA-N 0 0 340.329 4.290 50 0 EIAARN C[C@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2)[nH]c1=S ZINC000057451893 214428881 /nfs/dbraw/zinc/42/88/81/214428881.db2.gz JFICNSMYHHXVDX-LBPRGKRZSA-N 0 0 342.493 4.246 50 0 EIAARN CCc1nc2cc(NC(=O)C(=O)c3c(C)[nH]c4ccccc43)ccc2o1 ZINC000057991333 214468160 /nfs/dbraw/zinc/46/81/60/214468160.db2.gz JHIVAGVOKPNBOS-UHFFFAOYSA-N 0 0 347.374 4.001 50 0 EIAARN COc1ccc(CC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000004666580 210242054 /nfs/dbraw/zinc/24/20/54/210242054.db2.gz INHWBBYLORNGMZ-UHFFFAOYSA-N 0 0 345.398 4.107 50 0 EIAARN Fc1ccc(Cc2nnc3sc(/C=C/c4ccccc4)nn23)cc1 ZINC000004667788 210240882 /nfs/dbraw/zinc/24/08/82/210240882.db2.gz ICBDAZDCJKAXEK-DHZHZOJOSA-N 0 0 336.395 4.086 50 0 EIAARN Fc1cccc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)c1 ZINC000004664964 210240860 /nfs/dbraw/zinc/24/08/60/210240860.db2.gz YDODOOAIFXYLDB-UHFFFAOYSA-N 0 0 330.775 4.312 50 0 EIAARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccsc1 ZINC000097992392 219066808 /nfs/dbraw/zinc/06/68/08/219066808.db2.gz CBDYSQGHHSTTOG-XFFZJAGNSA-N 0 0 348.349 4.421 50 0 EIAARN COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2Cl)C(=O)O1 ZINC000004644402 210237342 /nfs/dbraw/zinc/23/73/42/210237342.db2.gz JPEGVKFHECWWMJ-ZSOIEALJSA-N 0 0 348.185 4.347 50 0 EIAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000004649098 210237441 /nfs/dbraw/zinc/23/74/41/210237441.db2.gz DKTLQBCXTBQQOX-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN C[C@@H](NC(=O)c1c2c(nc3ccccc31)CCC2)c1cccc(F)c1 ZINC000058344225 214557661 /nfs/dbraw/zinc/55/76/61/214557661.db2.gz AJUMODWHQLAAKE-CYBMUJFWSA-N 0 0 334.394 4.354 50 0 EIAARN Cc1nc2c(cc(OCC(=O)NCC3CCC3)c3ccsc32)s1 ZINC000058377518 214564524 /nfs/dbraw/zinc/56/45/24/214564524.db2.gz RZWHRBLMJWLSFW-UHFFFAOYSA-N 0 0 346.477 4.115 50 0 EIAARN C[C@@H](CC[C@H]1CCCO1)NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000058417634 214580946 /nfs/dbraw/zinc/58/09/46/214580946.db2.gz STAQJLYYZSFGBZ-GOEBONIOSA-N 0 0 336.435 4.399 50 0 EIAARN C[C@@H](NC(=S)Nc1ccccc1)c1ccc(Br)cc1 ZINC000004619707 210233802 /nfs/dbraw/zinc/23/38/02/210233802.db2.gz QFOOMDSCOQUQNB-LLVKDONJSA-N 0 0 335.270 4.497 50 0 EIAARN CN(Cc1ccccn1)C(=O)/C=C\c1ccc(-c2ccccc2F)o1 ZINC000098055156 219075307 /nfs/dbraw/zinc/07/53/07/219075307.db2.gz XOSQJMSTGYEDTC-BENRWUELSA-N 0 0 336.366 4.153 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cccs2)cc1 ZINC000004603351 210230178 /nfs/dbraw/zinc/23/01/78/210230178.db2.gz QKURLNVUYAVENL-UHFFFAOYSA-N 0 0 337.400 4.074 50 0 EIAARN CC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 ZINC000004586265 210227918 /nfs/dbraw/zinc/22/79/18/210227918.db2.gz ZRZXNOXNJBGCBL-UHFFFAOYSA-N 0 0 334.327 4.174 50 0 biogenic EIAARN COc1ccc(/C=C2\N=C(/C=C/c3ccc(C)cc3)OC2=O)c(OC)c1 ZINC000004589914 210227929 /nfs/dbraw/zinc/22/79/29/210227929.db2.gz MGOQOTGFNIUKHC-SAYABCIWSA-N 0 0 349.386 4.022 50 0 EIAARN CCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C)cn1 ZINC000049548606 214017866 /nfs/dbraw/zinc/01/78/66/214017866.db2.gz OBRWDABSRLCTDW-UHFFFAOYSA-N 0 0 340.452 4.232 50 0 EIAARN C[C@H](NC(=O)NCc1cccc(O)c1)c1ccc(-c2cccnc2)cc1 ZINC000176252125 231608705 /nfs/dbraw/zinc/60/87/05/231608705.db2.gz MKFHMTGTFJRHHI-HNNXBMFYSA-N 0 0 347.418 4.015 50 0 EIAARN Cc1nn(C)c2c1[C@H](c1ccc(C(F)(F)F)cc1)SCC(=O)N2 ZINC000049550425 214017502 /nfs/dbraw/zinc/01/75/02/214017502.db2.gz RVLVVDANRRGFKD-ZDUSSCGKSA-N 0 0 341.358 4.172 50 0 EIAARN Cc1nn(C)c2c1[C@H](c1ccc(OCC(C)C)cc1)SCC(=O)N2 ZINC000049544743 214016823 /nfs/dbraw/zinc/01/68/23/214016823.db2.gz OXRLGTUHARHJBR-KRWDZBQOSA-N 0 0 345.468 4.188 50 0 EIAARN Cn1ncc2c1NC(=O)CS[C@H]2c1ccc(OC2CCCC2)cc1 ZINC000049544364 214016327 /nfs/dbraw/zinc/01/63/27/214016327.db2.gz RRTRMCPFIOLDLE-KRWDZBQOSA-N 0 0 343.452 4.166 50 0 EIAARN COc1ccc(-c2cccc(C(=O)NCCOc3ccccc3)c2)cc1 ZINC000004577117 210225142 /nfs/dbraw/zinc/22/51/42/210225142.db2.gz LYPNWHIPUBNFNP-UHFFFAOYSA-N 0 0 347.414 4.171 50 0 EIAARN CCOc1cc(-c2ccc(OC)c(O)c2)cc(=O)c2c(C)oc(C)c21 ZINC000098086998 219082337 /nfs/dbraw/zinc/08/23/37/219082337.db2.gz PYZXRPBKSXXJGQ-UHFFFAOYSA-N 0 0 340.375 4.190 50 0 EIAARN Cc1ccc(-c2nc(CCNC(=O)Cc3ccccc3)cs2)cc1 ZINC000004570765 210223188 /nfs/dbraw/zinc/22/31/88/210223188.db2.gz DMZJAVZCFZJZKP-UHFFFAOYSA-N 0 0 336.460 4.020 50 0 EIAARN O=C(Nc1nnc(SCc2cccs2)s1)c1ccsc1 ZINC000060934332 214651711 /nfs/dbraw/zinc/65/17/11/214651711.db2.gz KAILKOSWYDGAGS-UHFFFAOYSA-N 0 0 339.492 4.206 50 0 EIAARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)c1C ZINC000004565091 210222163 /nfs/dbraw/zinc/22/21/63/210222163.db2.gz MVBJAPWJNOFGMS-UHFFFAOYSA-N 0 0 337.448 4.424 50 0 EIAARN Cc1ccc(C)c([C@@](O)(c2cnc(C(C)C)n2C)c2ccccc2)c1 ZINC000004566747 210221819 /nfs/dbraw/zinc/22/18/19/210221819.db2.gz IAYCVHYZNXCXHF-JOCHJYFZSA-N 0 0 334.463 4.445 50 0 EIAARN C/C(=C\c1ccccc1)[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000004543377 210218889 /nfs/dbraw/zinc/21/88/89/210218889.db2.gz IIGCSMMYJZAWAD-WJRRDMDDSA-N 0 0 338.476 4.458 50 0 EIAARN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(Cl)cc2)C(=O)O1 ZINC000004547920 210219589 /nfs/dbraw/zinc/21/95/89/210219589.db2.gz ASCIIIYRFWDHMK-ZSOIEALJSA-N 0 0 348.185 4.347 50 0 EIAARN COc1cccc(CCC(=O)Nc2ccc(F)cc2F)c1Cl ZINC000004542833 210218328 /nfs/dbraw/zinc/21/83/28/210218328.db2.gz ZLSVQYBKUFIGBX-UHFFFAOYSA-N 0 0 325.742 4.198 50 0 EIAARN O=C(CCCCC(=O)Nc1ccccc1F)Nc1ccccc1F ZINC000004542675 210217683 /nfs/dbraw/zinc/21/76/83/210217683.db2.gz BAINHOWETYWGAT-UHFFFAOYSA-N 0 0 332.350 4.102 50 0 EIAARN O=C(CCc1cccs1)Nc1ncc(Cc2ccccc2)s1 ZINC000004539393 210216618 /nfs/dbraw/zinc/21/66/18/210216618.db2.gz NQMNMDIVODANEX-UHFFFAOYSA-N 0 0 328.462 4.367 50 0 EIAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)o1 ZINC000061969281 214689919 /nfs/dbraw/zinc/68/99/19/214689919.db2.gz UXIYNRSVBHINMZ-SWLSCSKDSA-N 0 0 341.407 4.482 50 0 EIAARN O=C(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc2c(c1)OCO2 ZINC000004512147 210210045 /nfs/dbraw/zinc/21/00/45/210210045.db2.gz ZVBBBVQYBGDNSZ-UHFFFAOYSA-N 0 0 335.359 4.293 50 0 EIAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)[C@@H]4CCCO4)c3)nc2c1 ZINC000004512105 210209854 /nfs/dbraw/zinc/20/98/54/210209854.db2.gz XQDIMWBSOSNHMU-SFHVURJKSA-N 0 0 336.391 4.229 50 0 EIAARN CCCCc1ccc(C2=N/C(=C\c3ccc(OC)cc3)C(=O)O2)cc1 ZINC000004510990 210208670 /nfs/dbraw/zinc/20/86/70/210208670.db2.gz GQHBSAFTGJUQNS-RGEXLXHISA-N 0 0 335.403 4.382 50 0 EIAARN C[S@@](=O)(=NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000100218656 219094762 /nfs/dbraw/zinc/09/47/62/219094762.db2.gz WAAPTFBSFWGDTF-FQEVSTJZSA-N 0 0 328.220 4.291 50 0 EIAARN COc1ccccc1NC=C1Sc2cc(Cl)ccc2NC1=O ZINC000100296185 219095881 /nfs/dbraw/zinc/09/58/81/219095881.db2.gz ITYFHHUQFCMESC-OQLLNIDSSA-N 0 0 332.812 4.346 50 0 EIAARN CSc1nnc(C)c(C=CNc2cc(Cl)cc(Cl)c2)n1 ZINC000100323026 219096426 /nfs/dbraw/zinc/09/64/26/219096426.db2.gz GEZHVCHRMDYZLP-ONEGZZNKSA-N 0 0 327.240 4.292 50 0 EIAARN O=c1oc(/C=C\c2ccccc2)nc2ccc(Br)cc12 ZINC000004499623 210205490 /nfs/dbraw/zinc/20/54/90/210205490.db2.gz FSHOMKHJBFDOMW-TWGQIWQCSA-N 0 0 328.165 4.121 50 0 EIAARN CCOC(=O)c1sc(NC(=O)CSc2ccc(C)cc2)cc1C ZINC000004496466 210203368 /nfs/dbraw/zinc/20/33/68/210203368.db2.gz BVOYICUWAUCRTG-UHFFFAOYSA-N 0 0 349.477 4.272 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)cc1)CC(=O)N2 ZINC000004488940 210202431 /nfs/dbraw/zinc/20/24/31/210202431.db2.gz HBVFYMWGFQQJMX-AWEZNQCLSA-N 0 0 329.371 4.097 50 0 EIAARN CN1C[C@H](C(=O)c2ccc(F)cc2)[C@@H](c2c(F)cccc2Cl)C1 ZINC000004489436 210202506 /nfs/dbraw/zinc/20/25/06/210202506.db2.gz OAJSJXJVFWZAFZ-KBPBESRZSA-N 0 0 335.781 4.146 50 0 EIAARN O=C1Nc2ccccc2/C1=C/NCC(c1ccccc1)c1ccccc1 ZINC000100523230 219101088 /nfs/dbraw/zinc/10/10/88/219101088.db2.gz PRHZAVSESKVCCV-PGMHBOJBSA-N 0 0 340.426 4.401 50 0 EIAARN Cc1ccc(-c2cc3[nH]c(C)c(Cc4ccccc4)c(=O)n3n2)cc1 ZINC000100522452 219101419 /nfs/dbraw/zinc/10/14/19/219101419.db2.gz KFOUHETVOGPANG-UHFFFAOYSA-N 0 0 329.403 4.310 50 0 EIAARN CSc1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)nc1C ZINC000064314926 214781910 /nfs/dbraw/zinc/78/19/10/214781910.db2.gz BPBKTLQYHHOZPN-UHFFFAOYSA-N 0 0 346.399 4.373 50 0 EIAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000004472241 210196692 /nfs/dbraw/zinc/19/66/92/210196692.db2.gz FXXBIOIYJOTICX-RGEXLXHISA-N 0 0 344.439 4.444 50 0 EIAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(C)cc1 ZINC000064438558 214784776 /nfs/dbraw/zinc/78/47/76/214784776.db2.gz DYVHDLAGVVYYAB-UHFFFAOYSA-N 0 0 335.407 4.475 50 0 EIAARN FC(F)(F)c1ccccc1[C@@H]1CC(c2ccccc2)=Nc2ncnn21 ZINC000100703848 219105053 /nfs/dbraw/zinc/10/50/53/219105053.db2.gz QLBIJKGRRFAPIG-INIZCTEOSA-N 0 0 342.324 4.353 50 0 EIAARN Cc1ccc(C)c(NC(=O)C(O)=CC(=O)c2cccc3ccccc32)c1 ZINC000100721471 219105308 /nfs/dbraw/zinc/10/53/08/219105308.db2.gz VIBKNVCDKSZYJG-UHFFFAOYSA-N 0 0 345.398 4.237 50 0 EIAARN COc1ccc(-c2noc(-c3cc(Cl)ccc3OC)n2)cc1OC ZINC000004454642 210193322 /nfs/dbraw/zinc/19/33/22/210193322.db2.gz ZKWNOWPZBWMLJJ-UHFFFAOYSA-N 0 0 346.770 4.083 50 0 EIAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc3ccccc3c1)n2C ZINC000100811983 219108118 /nfs/dbraw/zinc/10/81/18/219108118.db2.gz LRCDHTVYXFJZOZ-QZQOTICOSA-N 0 0 332.428 4.443 50 0 EIAARN Cc1nccn1-c1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn21 ZINC000100880927 219110505 /nfs/dbraw/zinc/11/05/05/219110505.db2.gz MXSBVRIRAGTFCX-UHFFFAOYSA-N 0 0 331.423 4.188 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)n1ncc2ccccc21 ZINC000064662462 214797618 /nfs/dbraw/zinc/79/76/18/214797618.db2.gz LVLHPZOMCDSEOK-UHFFFAOYSA-N 0 0 334.148 4.018 50 0 EIAARN O=C(NCCn1c2ccccc2nc1-c1ccccc1)C1CCCCC1 ZINC000064661379 214798191 /nfs/dbraw/zinc/79/81/91/214798191.db2.gz FSQGSZHOGJKYBK-UHFFFAOYSA-N 0 0 347.462 4.400 50 0 EIAARN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccco1 ZINC000004375339 210183645 /nfs/dbraw/zinc/18/36/45/210183645.db2.gz LZLJACYDOVEZOC-UHFFFAOYSA-N 0 0 332.812 4.029 50 0 EIAARN Cc1cc2c(sc(=NC(=O)CSc3ccccc3)n2C)c(C)c1 ZINC000101037833 219114357 /nfs/dbraw/zinc/11/43/57/219114357.db2.gz OMUHILCBNQBLLX-VHEBQXMUSA-N 0 0 342.489 4.076 50 0 EIAARN Cc1cccc(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)c1 ZINC000004372201 210181275 /nfs/dbraw/zinc/18/12/75/210181275.db2.gz UMQNYBWGKIVJGG-UHFFFAOYSA-N 0 0 339.464 4.275 50 0 EIAARN COc1ccc(OC)c(Nc2ncnc3c(-c4ccccc4)noc32)c1 ZINC000064820842 214807561 /nfs/dbraw/zinc/80/75/61/214807561.db2.gz CSINNWDWAYDFOP-UHFFFAOYSA-N 0 0 348.362 4.046 50 0 EIAARN CCCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccccc21 ZINC000064963669 214817149 /nfs/dbraw/zinc/81/71/49/214817149.db2.gz WQXYLSMINROXTG-UHFFFAOYSA-N 0 0 345.402 4.437 50 0 EIAARN Cc1cc(C)cc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1 ZINC000004357743 210179182 /nfs/dbraw/zinc/17/91/82/210179182.db2.gz LPUGJRZEEYVUOV-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN Fc1ccc(-n2ncc3c2ncnc3NC2CCCCCC2)cc1 ZINC000004354640 210178525 /nfs/dbraw/zinc/17/85/25/210178525.db2.gz UXWBVEJDYQRWJL-UHFFFAOYSA-N 0 0 325.391 4.089 50 0 EIAARN Cc1cc2c3nnc(SCC(=O)c4ccccc4)nc3[nH]c2c(C)c1 ZINC000004349661 210178021 /nfs/dbraw/zinc/17/80/21/210178021.db2.gz GRMAJEKOQIEEHA-UHFFFAOYSA-N 0 0 348.431 4.098 50 0 EIAARN Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3C)C2=O)cc1C ZINC000101332375 219122670 /nfs/dbraw/zinc/12/26/70/219122670.db2.gz YTGFGVVSDIXAGW-INIZCTEOSA-N 0 0 342.826 4.009 50 0 EIAARN CCc1ccc2nc(C(=O)OC)cc(Nc3cccc(OC)c3)c2c1 ZINC000065033754 214824678 /nfs/dbraw/zinc/82/46/78/214824678.db2.gz XMSMTGSQJLSQTH-UHFFFAOYSA-N 0 0 336.391 4.336 50 0 EIAARN COc1ccc(OC)c2sc(NC(=O)c3cccc(Cl)c3)nc21 ZINC000004330805 210173764 /nfs/dbraw/zinc/17/37/64/210173764.db2.gz STSDBOBGKVALTR-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN COc1ccc(NC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1 ZINC000065118476 214830719 /nfs/dbraw/zinc/83/07/19/214830719.db2.gz BWLNPEDIDOVXDF-UHFFFAOYSA-N 0 0 341.436 4.318 50 0 EIAARN Cc1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)cc1 ZINC000004326789 210171845 /nfs/dbraw/zinc/17/18/45/210171845.db2.gz JSLXGGFSUSUMKF-UHFFFAOYSA-N 0 0 338.461 4.454 50 0 EIAARN Cc1ccccc1CSc1ccc2nnc(-c3cccs3)n2n1 ZINC000004326751 210171495 /nfs/dbraw/zinc/17/14/95/210171495.db2.gz PQRITJPFCAOBOQ-UHFFFAOYSA-N 0 0 338.461 4.454 50 0 EIAARN CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000004322968 210170101 /nfs/dbraw/zinc/17/01/01/210170101.db2.gz RUPOAWILIAWVMJ-UHFFFAOYSA-N 0 0 333.370 4.261 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1ccc(C)c(Cl)c1 ZINC000004316159 210169194 /nfs/dbraw/zinc/16/91/94/210169194.db2.gz LXBSYOHYTKQYNN-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN COc1ccccc1C(=O)Nc1ccsc1-c1nnc(C(C)C)o1 ZINC000065218704 214845839 /nfs/dbraw/zinc/84/58/39/214845839.db2.gz TZVFLWILTBNJDA-UHFFFAOYSA-N 0 0 343.408 4.182 50 0 EIAARN Cc1ccc(C(=O)NC[C@@]2(c3ccccc3)CCCOCC2)c(C)c1 ZINC000065226149 214846139 /nfs/dbraw/zinc/84/61/39/214846139.db2.gz LIIPPCGMHVCUGX-JOCHJYFZSA-N 0 0 337.463 4.172 50 0 EIAARN COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000004278971 210160088 /nfs/dbraw/zinc/16/00/88/210160088.db2.gz DYGJVCJMICGFRW-UHFFFAOYSA-N 0 0 348.807 4.270 50 0 EIAARN CCOc1cc2ccccc2cc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000048289490 213913218 /nfs/dbraw/zinc/91/32/18/213913218.db2.gz QGWITUNOVYJTKH-LJQANCHMSA-N 0 0 347.414 4.492 50 0 EIAARN COc1ccc2cc(C(=O)NCC3(c4ccccc4)CCC3)[nH]c2c1 ZINC000048272417 213907448 /nfs/dbraw/zinc/90/74/48/213907448.db2.gz ZQJGFOKRVXDKJH-UHFFFAOYSA-N 0 0 334.419 4.028 50 0 EIAARN c1nc(CSc2nnc3[nH]c4ccccc4n32)oc1-c1ccccc1 ZINC000004268425 210155041 /nfs/dbraw/zinc/15/50/41/210155041.db2.gz QDGFSNXIEMAYEP-UHFFFAOYSA-N 0 0 347.403 4.158 50 0 EIAARN CCOc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OCC ZINC000048252621 213903984 /nfs/dbraw/zinc/90/39/84/213903984.db2.gz IEPCTAASJNVZPT-HRCADAONSA-N 0 0 348.487 4.074 50 0 EIAARN COc1ccc2[nH]c(S[C@@H](C)C(=O)c3ccc(F)c(F)c3)nc2c1 ZINC000004252439 210154364 /nfs/dbraw/zinc/15/43/64/210154364.db2.gz VIFAKUHVEMIOSU-VIFPVBQESA-N 0 0 348.374 4.213 50 0 EIAARN O=C(COc1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000004249078 210152683 /nfs/dbraw/zinc/15/26/83/210152683.db2.gz VQRMOKUJUVRQNX-UHFFFAOYSA-N 0 0 349.415 4.080 50 0 EIAARN Cc1nc2ccccc2c(SCC(=O)N2CCCc3ccccc32)n1 ZINC000004241246 210149421 /nfs/dbraw/zinc/14/94/21/210149421.db2.gz CYKPRGCBXDOYRC-UHFFFAOYSA-N 0 0 349.459 4.010 50 0 EIAARN COc1ccccc1Oc1ccc(NC(=O)NCc2ccoc2)cc1 ZINC000047824959 213869740 /nfs/dbraw/zinc/86/97/40/213869740.db2.gz HMNMEAMHPJWDRZ-UHFFFAOYSA-N 0 0 338.363 4.402 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000047448088 213851183 /nfs/dbraw/zinc/85/11/83/213851183.db2.gz PSOJJWQJWJVQNL-UHFFFAOYSA-N 0 0 347.418 4.492 50 0 EIAARN Cc1cc(C)nc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000004143029 210132128 /nfs/dbraw/zinc/13/21/28/210132128.db2.gz FZBFKPLJBKXMHI-APHBMKBZSA-N 0 0 336.501 4.190 50 0 EIAARN COc1ccc(/C=C/c2nc3sc4c(c3c(=O)o2)CCCC4)cc1 ZINC000004147679 210131878 /nfs/dbraw/zinc/13/18/78/210131878.db2.gz WZZIVJSZVVAYNL-DHZHZOJOSA-N 0 0 339.416 4.307 50 0 EIAARN Cn1c(SCc2ccc(F)cc2)nnc1-c1c[nH]c2ccccc12 ZINC000004138447 210129305 /nfs/dbraw/zinc/12/93/05/210129305.db2.gz YRQSEPVCEZIQKU-UHFFFAOYSA-N 0 0 338.411 4.395 50 0 EIAARN COc1ccc(C(O)(c2ccc(OC)cc2)c2cccc(F)c2)cc1 ZINC000004128026 210128346 /nfs/dbraw/zinc/12/83/46/210128346.db2.gz QUINLLAYWOHSQF-UHFFFAOYSA-N 0 0 338.378 4.127 50 0 EIAARN C[C@H]1CCc2ccccc2N1C(=O)CNc1ccc(OC(F)F)cc1 ZINC000065565731 214962702 /nfs/dbraw/zinc/96/27/02/214962702.db2.gz DSGDDHGACUVQTP-ZDUSSCGKSA-N 0 0 346.377 4.068 50 0 EIAARN CCCCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccccc1-2 ZINC000004123950 210126102 /nfs/dbraw/zinc/12/61/02/210126102.db2.gz MVFRDTPTAITCAA-AWEZNQCLSA-N 0 0 330.457 4.361 50 0 EIAARN C[C@@H]1CCc2nc(NC(=O)c3ccc4ncsc4c3)sc2C1 ZINC000004088358 210118141 /nfs/dbraw/zinc/11/81/41/210118141.db2.gz GGLDFNZNKQNMCL-SECBINFHSA-N 0 0 329.450 4.130 50 0 EIAARN COC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1 ZINC000004052945 210109156 /nfs/dbraw/zinc/10/91/56/210109156.db2.gz QOOCDPCPQKGZOH-UHFFFAOYSA-N 0 0 338.310 4.164 50 0 EIAARN O=C(NCc1c(Cl)cccc1-n1cccc1)c1ccc(F)cc1F ZINC000004054877 210108974 /nfs/dbraw/zinc/10/89/74/210108974.db2.gz MMAWQLFUNDXLCP-UHFFFAOYSA-N 0 0 346.764 4.339 50 0 EIAARN CCCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O ZINC000004056270 210108869 /nfs/dbraw/zinc/10/88/69/210108869.db2.gz NDMULLFQDDGVDK-UHFFFAOYSA-N 0 0 349.253 4.298 50 0 EIAARN COC(=O)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000004050316 210108011 /nfs/dbraw/zinc/10/80/11/210108011.db2.gz FBGGPDRYGATLLC-UHFFFAOYSA-N 0 0 333.309 4.495 50 0 EIAARN COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 ZINC000004029465 210103714 /nfs/dbraw/zinc/10/37/14/210103714.db2.gz MYILAUURZUNHGP-KVEVGEHQSA-N 0 0 346.423 4.186 50 0 EIAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Cl)cc1 ZINC000045967267 213769476 /nfs/dbraw/zinc/76/94/76/213769476.db2.gz OSCBHNJFXGDCSE-UHFFFAOYSA-N 0 0 341.798 4.161 50 0 EIAARN CNc1nc2c(s1)[C@H](c1c(C)sc3ccccc31)CC(=O)N2 ZINC000066091355 215009150 /nfs/dbraw/zinc/00/91/50/215009150.db2.gz QPTVNJLMIDBPAL-JTQLQIEISA-N 0 0 329.450 4.182 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2O)on1 ZINC000003908578 210091132 /nfs/dbraw/zinc/09/11/32/210091132.db2.gz UPNTURCKWIZODX-UHFFFAOYSA-N 0 0 348.280 4.318 50 0 EIAARN Cc1ccc(O)c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 ZINC000003908265 210091661 /nfs/dbraw/zinc/09/16/61/210091661.db2.gz SWLUMARMBCSTKV-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1 ZINC000003908311 210091493 /nfs/dbraw/zinc/09/14/93/210091493.db2.gz RLWXACXIXAKOTI-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1cccc(F)c1 ZINC000003906480 210089908 /nfs/dbraw/zinc/08/99/08/210089908.db2.gz FZNWHLKFMQZVJF-UHFFFAOYSA-N 0 0 331.350 4.393 50 0 EIAARN O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccc(O)cc1 ZINC000003902181 210088675 /nfs/dbraw/zinc/08/86/75/210088675.db2.gz UODHAIKICSVODS-XNTDXEJSSA-N 0 0 340.382 4.262 50 0 EIAARN COc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000003900859 210088155 /nfs/dbraw/zinc/08/81/55/210088155.db2.gz ZDQKZWDSZNBPRC-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN Cc1cc(C)c(-c2c(=O)c(=O)c2Nc2ccc(F)c(Cl)c2)cc1C ZINC000102112103 219186291 /nfs/dbraw/zinc/18/62/91/219186291.db2.gz PQSUHSDXVNBXNH-UHFFFAOYSA-N 0 0 343.785 4.411 50 0 EIAARN O=C1Nc2ccccc2/C1=C\NCC(c1ccccc1)c1ccccc1 ZINC000003877198 210082412 /nfs/dbraw/zinc/08/24/12/210082412.db2.gz PRHZAVSESKVCCV-LTGZKZEYSA-N 0 0 340.426 4.401 50 0 EIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nocc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000003876108 210082181 /nfs/dbraw/zinc/08/21/81/210082181.db2.gz NSYTUNFHWYMMHU-IYRCEVNGSA-N 0 0 329.484 4.383 50 0 biogenic EIAARN CCc1ccc(N[C@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000003647925 210070149 /nfs/dbraw/zinc/07/01/49/210070149.db2.gz IZFDEJVCMOCMBD-INIZCTEOSA-N 0 0 326.421 4.195 50 0 EIAARN O=C(CCSc1nc2ccccc2s1)NCc1ccccc1 ZINC000003625402 210069423 /nfs/dbraw/zinc/06/94/23/210069423.db2.gz ZAMDCHYWXILUHJ-UHFFFAOYSA-N 0 0 328.462 4.095 50 0 EIAARN O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1Cl ZINC000003602678 210063897 /nfs/dbraw/zinc/06/38/97/210063897.db2.gz MKWCPGMDHITMNN-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN COc1cccc(CC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000003615347 210065830 /nfs/dbraw/zinc/06/58/30/210065830.db2.gz DEXRYYYPTQQGHU-UHFFFAOYSA-N 0 0 331.415 4.144 50 0 EIAARN COc1ccc(OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000003607272 210065267 /nfs/dbraw/zinc/06/52/67/210065267.db2.gz UIVQIOWEEXLGMV-UHFFFAOYSA-N 0 0 339.363 4.027 50 0 EIAARN CSCc1ccc(NC(=O)Cc2nc(-c3ccco3)oc2C)cc1 ZINC000066550790 215052415 /nfs/dbraw/zinc/05/24/15/215052415.db2.gz NOVGMYZBXYRNMW-UHFFFAOYSA-N 0 0 342.420 4.287 50 0 EIAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000102478114 219205632 /nfs/dbraw/zinc/20/56/32/219205632.db2.gz CWIREUOYRDTFPL-UYAYXHRUSA-N 0 0 348.512 4.067 50 0 EIAARN COc1cccc(NC(=S)N2CC[C@@H](c3ccc(C)cc3)C2)c1 ZINC000003588566 210059261 /nfs/dbraw/zinc/05/92/61/210059261.db2.gz ZQYJOYOEZZFBOL-MRXNPFEDSA-N 0 0 326.465 4.190 50 0 EIAARN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000003553928 210052944 /nfs/dbraw/zinc/05/29/44/210052944.db2.gz XJZHXZJIIUVBKO-RUDMXATFSA-N 0 0 331.799 4.318 50 0 EIAARN COc1ccc(Br)c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000003549209 210052048 /nfs/dbraw/zinc/05/20/48/210052048.db2.gz ADIBBTCMXLRKGI-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN Cc1cccc(C)c1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2C1=O ZINC000102550106 219210199 /nfs/dbraw/zinc/21/01/99/219210199.db2.gz LXMXXHOFCGOTQV-QRVBRYPASA-N 0 0 333.431 4.377 50 0 EIAARN COc1ccc(NC(=O)c2ccc(Br)cc2)cc1Cl ZINC000003472190 210048799 /nfs/dbraw/zinc/04/87/99/210048799.db2.gz BQNDTAWZINYDKY-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000003462629 210046926 /nfs/dbraw/zinc/04/69/26/210046926.db2.gz AOIFBSZZHTUCOQ-UHFFFAOYSA-N 0 0 337.206 4.133 50 0 EIAARN C[C@@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccccc2)C1 ZINC000102602563 219213390 /nfs/dbraw/zinc/21/33/90/219213390.db2.gz GXIMBOBVUBELFW-XPTSAGLGSA-N 0 0 348.328 4.214 50 0 EIAARN O=C(Cc1ccccc1F)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000003433288 210037931 /nfs/dbraw/zinc/03/79/31/210037931.db2.gz WNTWKVJDXKYFEN-UHFFFAOYSA-N 0 0 338.407 4.229 50 0 EIAARN Cc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000003444230 210041485 /nfs/dbraw/zinc/04/14/85/210041485.db2.gz QHJBKEQWTVONSF-UHFFFAOYSA-N 0 0 326.377 4.066 50 0 EIAARN C/C=C/c1ccc(OCC(=O)Nc2ccc(C)c(F)c2)c(OC)c1 ZINC000003415277 210033034 /nfs/dbraw/zinc/03/30/34/210033034.db2.gz FDEALBCZHFCEKR-SNAWJCMRSA-N 0 0 329.371 4.193 50 0 EIAARN O=C(NCC1CCCCC1)c1cc(Br)ccc1Cl ZINC000003428269 210036951 /nfs/dbraw/zinc/03/69/51/210036951.db2.gz WTNNVTKVXWFDNQ-UHFFFAOYSA-N 0 0 330.653 4.413 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2cc(SC)ccc2Cl)c1 ZINC000003430235 210037031 /nfs/dbraw/zinc/03/70/31/210037031.db2.gz LETBMLSLEOMODM-UHFFFAOYSA-N 0 0 337.828 4.331 50 0 EIAARN Cc1ccc(NC(=O)CNc2cccc(Br)c2)c(C)c1 ZINC000003413162 210031959 /nfs/dbraw/zinc/03/19/59/210031959.db2.gz SFGIIWJDCXSPPJ-UHFFFAOYSA-N 0 0 333.229 4.117 50 0 EIAARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccco1 ZINC000102681495 219221891 /nfs/dbraw/zinc/22/18/91/219221891.db2.gz TXUIQPXLXNYXJB-KRWDZBQOSA-N 0 0 347.374 4.385 50 0 EIAARN Cc1cc(-n2c(C)cc(C(=O)COc3ccc(Cl)cc3)c2C)no1 ZINC000003412772 210031885 /nfs/dbraw/zinc/03/18/85/210031885.db2.gz OXGFPYLNKLRLNK-UHFFFAOYSA-N 0 0 344.798 4.306 50 0 EIAARN CSc1ncccc1C(=O)Nc1ccc(Br)c(C)c1 ZINC000003403937 210029310 /nfs/dbraw/zinc/02/93/10/210029310.db2.gz GBCQNGAORHRDDE-UHFFFAOYSA-N 0 0 337.242 4.127 50 0 EIAARN CSc1nc2n(n1)[C@H](c1sccc1C)C1C(=O)C[C@@H](C)CC1=N2 ZINC000102710904 219224340 /nfs/dbraw/zinc/22/43/40/219224340.db2.gz SITXGLJXAUQYLU-SDBXPKJASA-N 0 0 346.481 4.287 50 0 EIAARN Clc1ccc(Br)cc1-c1nnc(-c2ccncc2)o1 ZINC000003399415 210028719 /nfs/dbraw/zinc/02/87/19/210028719.db2.gz HLAIADBLISNUHY-UHFFFAOYSA-N 0 0 336.576 4.215 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nc(C)cs1 ZINC000003413839 210032489 /nfs/dbraw/zinc/03/24/89/210032489.db2.gz IKZZKGTWHCZLGP-UHFFFAOYSA-N 0 0 342.873 4.153 50 0 EIAARN COc1cccc2cc([C@H](C)NCc3nc4ccccc4n3C)oc21 ZINC000066970977 215099779 /nfs/dbraw/zinc/09/97/79/215099779.db2.gz STNIOSDIWAJKJL-ZDUSSCGKSA-N 0 0 335.407 4.179 50 0 EIAARN CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000003363906 210018966 /nfs/dbraw/zinc/01/89/66/210018966.db2.gz LPCDCXXZBXDSGG-UHFFFAOYSA-N 0 0 344.842 4.003 50 0 EIAARN O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000003356997 210017138 /nfs/dbraw/zinc/01/71/38/210017138.db2.gz JKFLHRJYTQMMSE-UHFFFAOYSA-N 0 0 345.370 4.433 50 0 EIAARN CC[C@@H]1CCc2sc(C(=O)NCc3ccccc3OC)cc2C1 ZINC000003344871 210013169 /nfs/dbraw/zinc/01/31/69/210013169.db2.gz SUHOSCOUOCDHBK-CYBMUJFWSA-N 0 0 329.465 4.202 50 0 EIAARN O=C(Nc1ccccc1C(=O)NCC1CCCCC1)c1ccccc1 ZINC000003340533 210013368 /nfs/dbraw/zinc/01/33/68/210013368.db2.gz PXXBXDZDXYWCJO-UHFFFAOYSA-N 0 0 336.435 4.249 50 0 EIAARN O=C(CSc1nc2ccccc2s1)Nc1cccnc1Cl ZINC000003344019 210013459 /nfs/dbraw/zinc/01/34/59/210013459.db2.gz NYNRRPGRLCDMNA-UHFFFAOYSA-N 0 0 335.841 4.076 50 0 EIAARN CC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000003328530 210008040 /nfs/dbraw/zinc/00/80/40/210008040.db2.gz IUYJCWPLITWUOT-UHFFFAOYSA-N 0 0 345.464 4.296 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)n1 ZINC000003302514 210002217 /nfs/dbraw/zinc/00/22/17/210002217.db2.gz QVQYQHDSDPPFGJ-UHFFFAOYSA-N 0 0 339.826 4.073 50 0 EIAARN COC(=O)CCSc1nc(C)nc2sc(-c3ccccc3)cc21 ZINC000003298850 210000586 /nfs/dbraw/zinc/00/05/86/210000586.db2.gz HXDXXJJSFFDCRK-UHFFFAOYSA-N 0 0 344.461 4.322 50 0 EIAARN Cc1cccc(OCC(=O)N(c2nccs2)C2CCCCC2)c1 ZINC000003298860 210000241 /nfs/dbraw/zinc/00/02/41/210000241.db2.gz XFTVDOHJUGFZJG-UHFFFAOYSA-N 0 0 330.453 4.196 50 0 EIAARN COc1ccc(C2=NC(=S)C(c3ccc(C)cc3)N2)cc1OC ZINC000102922348 219241741 /nfs/dbraw/zinc/24/17/41/219241741.db2.gz NPXORBIRJLSDBU-UHFFFAOYSA-N 0 0 326.421 4.358 50 0 EIAARN COC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(C)ccc3o2)cc1 ZINC000067339689 215134680 /nfs/dbraw/zinc/13/46/80/215134680.db2.gz OIVGLQCMWKLQTP-CSKARUKUSA-N 0 0 335.359 4.180 50 0 EIAARN CCO[C@@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000067356684 215135605 /nfs/dbraw/zinc/13/56/05/215135605.db2.gz PMJHNPSRLNROBK-GFCCVEGCSA-N 0 0 330.400 4.034 50 0 EIAARN O=C(C=Cc1ccco1)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003263149 209992563 /nfs/dbraw/zinc/99/25/63/209992563.db2.gz OYPZZKKJWVZZGQ-ARKBFRDHSA-N 0 0 332.355 4.460 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2cccc3cccnc32)C[C@H](c2ccccc2)O1 ZINC000067559203 215162201 /nfs/dbraw/zinc/16/22/01/215162201.db2.gz AFFJXOHYKJOMIE-DNVCBOLYSA-N 0 0 347.418 4.229 50 0 EIAARN CCc1nccn1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000067605827 215168291 /nfs/dbraw/zinc/16/82/91/215168291.db2.gz GVLGXDOZPQXUKS-UHFFFAOYSA-N 0 0 335.329 4.476 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1 ZINC000003080206 209961667 /nfs/dbraw/zinc/96/16/67/209961667.db2.gz HNNGFKFHGIXOCZ-UHFFFAOYSA-N 0 0 325.393 4.218 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(C)cc2-c2ccccc2CO)c1 ZINC000067642043 215171750 /nfs/dbraw/zinc/17/17/50/215171750.db2.gz QIHZOZSBVIQQNI-UHFFFAOYSA-N 0 0 347.414 4.415 50 0 EIAARN Cc1ccccc1Oc1ncccc1CNC(=O)C(C)(C)n1cccc1 ZINC000067643082 215172781 /nfs/dbraw/zinc/17/27/81/215172781.db2.gz SKTZNXWSDGAJMA-UHFFFAOYSA-N 0 0 349.434 4.035 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl ZINC000042797834 213534776 /nfs/dbraw/zinc/53/47/76/213534776.db2.gz RWGXJXRIHAFWII-QGZVFWFLSA-N 0 0 344.842 4.040 50 0 EIAARN CC(=O)c1ccc(CN(C)Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000067673122 215176689 /nfs/dbraw/zinc/17/66/89/215176689.db2.gz HHNGVEJVPSZODJ-UHFFFAOYSA-N 0 0 327.815 4.051 50 0 EIAARN O=C1C[C@H](c2cccc3[nH]ccc32)c2c(n[nH]c2-c2ccccc2)N1 ZINC000067679019 215182696 /nfs/dbraw/zinc/18/26/96/215182696.db2.gz 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CC[C@H]1CCCN(C(=O)Nc2ccc(C)cc2Br)C1 ZINC000040098505 213263455 /nfs/dbraw/zinc/26/34/55/213263455.db2.gz CPEHRWBMJIRYRB-LBPRGKRZSA-N 0 0 325.250 4.411 50 0 EIAARN O=C(Nc1cccnc1Oc1ccccc1)c1cc(F)cc(F)c1 ZINC000040087994 213260409 /nfs/dbraw/zinc/26/04/09/213260409.db2.gz KYZJFKGOYZIVAT-UHFFFAOYSA-N 0 0 326.302 4.404 50 0 EIAARN CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2OC)on1 ZINC000040087380 213259815 /nfs/dbraw/zinc/25/98/15/213259815.db2.gz LJZQKCQEBUYKDA-UHFFFAOYSA-N 0 0 342.420 4.074 50 0 EIAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1cccs1 ZINC000040067807 213256898 /nfs/dbraw/zinc/25/68/98/213256898.db2.gz RTDQVLIIQLTBQN-CYBMUJFWSA-N 0 0 328.437 4.439 50 0 EIAARN Cc1nc(CSCCC(=O)N[C@@H](C)c2cccc(F)c2)cs1 ZINC000040069631 213256543 /nfs/dbraw/zinc/25/65/43/213256543.db2.gz XEGQZMGRJBMHLV-NSHDSACASA-N 0 0 338.473 4.091 50 0 EIAARN COc1cc(NC(=O)N[C@H](C)c2cccs2)c(OC)cc1Cl ZINC000040023911 213252011 /nfs/dbraw/zinc/25/20/11/213252011.db2.gz CDSPDRUVKBAUDM-SECBINFHSA-N 0 0 340.832 4.301 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)c2sccc2C)cc1OC ZINC000040042893 213254309 /nfs/dbraw/zinc/25/43/09/213254309.db2.gz CLXLNWZOHDQEQT-AWEZNQCLSA-N 0 0 331.437 4.051 50 0 EIAARN Cc1ccccc1[C@H](CC(=O)NCc1cccnc1)c1ccccc1 ZINC000039466329 213238424 /nfs/dbraw/zinc/23/84/24/213238424.db2.gz UBFYVGHXYPPTEQ-OAQYLSRUSA-N 0 0 330.431 4.228 50 0 EIAARN O=C(Nc1ccn(Cc2cccc3ccccc32)n1)c1ccc(F)cc1 ZINC000001429198 209748443 /nfs/dbraw/zinc/74/84/43/209748443.db2.gz GXVBGFARXPVKJY-UHFFFAOYSA-N 0 0 345.377 4.476 50 0 EIAARN O=C(COc1ccccc1F)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000001425464 209746967 /nfs/dbraw/zinc/74/69/67/209746967.db2.gz PAMBPZFPVWJTNL-UHFFFAOYSA-N 0 0 345.704 4.011 50 0 EIAARN O=C(c1cccnc1SCCC(F)=C(F)F)N1CCCCC1 ZINC000001402594 209740254 /nfs/dbraw/zinc/74/02/54/209740254.db2.gz MMNUQXFVUHCKBU-UHFFFAOYSA-N 0 0 330.375 4.268 50 0 EIAARN CN(C(=O)C[C@H]1OCCc2ccsc21)c1nc2ccccc2s1 ZINC000069654216 215515942 /nfs/dbraw/zinc/51/59/42/215515942.db2.gz BXKJLARNNBTADQ-CYBMUJFWSA-N 0 0 344.461 4.025 50 0 EIAARN O=C(Nc1cnc2ccccc2c1)c1ccc(N2CCCCCC2)nc1 ZINC000038894462 213229975 /nfs/dbraw/zinc/22/99/75/213229975.db2.gz IQVLFRFDYPVOII-UHFFFAOYSA-N 0 0 346.434 4.263 50 0 EIAARN Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(N)=O)sc3n2)cc1 ZINC000001279910 209722944 /nfs/dbraw/zinc/72/29/44/209722944.db2.gz UTAPRZQQILJQMF-UHFFFAOYSA-N 0 0 349.415 4.213 50 0 EIAARN CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1Br ZINC000001060800 209705543 /nfs/dbraw/zinc/70/55/43/209705543.db2.gz MMISKBSTOVACSM-CQSZACIVSA-N 0 0 332.241 4.200 50 0 EIAARN COc1ccccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001004110 209699206 /nfs/dbraw/zinc/69/92/06/209699206.db2.gz YTZAYSYJIAPLTQ-UHFFFAOYSA-N 0 0 342.464 4.120 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-n2cccc2)n1 ZINC000038679088 213220930 /nfs/dbraw/zinc/22/09/30/213220930.db2.gz JIDCCEXAUXBPDE-UHFFFAOYSA-N 0 0 337.326 4.205 50 0 EIAARN O=C(Nc1nc2c(s1)CCC2)Nc1ccccc1C(F)(F)F ZINC000038671383 213220234 /nfs/dbraw/zinc/22/02/34/213220234.db2.gz DQZWEPJNCGJVJW-UHFFFAOYSA-N 0 0 327.331 4.295 50 0 EIAARN COc1cccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1OC ZINC000000818050 209691100 /nfs/dbraw/zinc/69/11/00/209691100.db2.gz UILJXDUYHZSOEU-OAQYLSRUSA-N 0 0 349.434 4.465 50 0 EIAARN Cc1ccc(-c2noc(-c3cn(C)c4ccc(F)cc4c3=O)n2)cc1C ZINC000038653019 213219232 /nfs/dbraw/zinc/21/92/32/213219232.db2.gz CVZKDIKSEVLXEF-UHFFFAOYSA-N 0 0 349.365 4.011 50 0 EIAARN CCC(CC)C(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1 ZINC000000614942 209679430 /nfs/dbraw/zinc/67/94/30/209679430.db2.gz SYRIROCEPDCRLA-UHFFFAOYSA-N 0 0 338.451 4.034 50 0 biogenic EIAARN CCOc1ccccc1NC(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000038489667 213211448 /nfs/dbraw/zinc/21/14/48/213211448.db2.gz SHQSDVKXQUNOPT-UHFFFAOYSA-N 0 0 328.387 4.078 50 0 EIAARN O=C(Nc1cccc2nsnc21)C1(c2cccs2)CCCC1 ZINC000038488753 213209938 /nfs/dbraw/zinc/20/99/38/213209938.db2.gz NACZIXFGWPXTJU-UHFFFAOYSA-N 0 0 329.450 4.203 50 0 EIAARN Cc1nc2ccccc2n1CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000038488550 213210337 /nfs/dbraw/zinc/21/03/37/213210337.db2.gz ZNDBFOSCIJLSCR-UHFFFAOYSA-N 0 0 348.450 4.289 50 0 EIAARN COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)nc[nH]c-2cc1=O ZINC000038410787 213208763 /nfs/dbraw/zinc/20/87/63/213208763.db2.gz BNDMWBMVOITFQA-UHFFFAOYSA-N 0 0 339.326 4.065 50 0 EIAARN C/C=C/C=C/C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000069738994 215556078 /nfs/dbraw/zinc/55/60/78/215556078.db2.gz YKHZIYJYNNOLRK-TTWWKFCBSA-N 0 0 326.421 4.000 50 0 EIAARN CC(=O)c1sc2ccccc2c1OC(=O)COc1ccccc1 ZINC000000503483 209637963 /nfs/dbraw/zinc/63/79/63/209637963.db2.gz HQCDUKZEKLPOHZ-UHFFFAOYSA-N 0 0 326.373 4.088 50 0 EIAARN Cc1ccsc1-c1nnc(S[C@H](C)c2nc(C(C)C)no2)o1 ZINC000069773508 215572108 /nfs/dbraw/zinc/57/21/08/215572108.db2.gz XUUJSRJOYPCJKE-SECBINFHSA-N 0 0 336.442 4.466 50 0 EIAARN C[C@H](C(=O)N1CCCCCC1)[S@@](=O)Cc1ccc(C(C)(C)C)cc1 ZINC000069813875 215591437 /nfs/dbraw/zinc/59/14/37/215591437.db2.gz BGXVTDIAHOHXAF-VOIUYBSRSA-N 0 0 349.540 4.024 50 0 EIAARN Cc1cc2c(cc(C(=O)NCC3CC3)n2Cc2ccc(F)cc2)s1 ZINC000037526597 213154510 /nfs/dbraw/zinc/15/45/10/213154510.db2.gz ZAUNYECPWJDBPB-UHFFFAOYSA-N 0 0 342.439 4.338 50 0 EIAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2ccccc2c(=O)o1 ZINC000000484108 209629792 /nfs/dbraw/zinc/62/97/92/209629792.db2.gz CPRHQRFMSUXAOV-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN CSc1nc(C)c(CC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)s1 ZINC000037171288 213134529 /nfs/dbraw/zinc/13/45/29/213134529.db2.gz QZXPBCCTDKQXRR-CHWSQXEVSA-N 0 0 340.558 4.437 50 0 EIAARN CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1OCC ZINC000000477135 209625573 /nfs/dbraw/zinc/62/55/73/209625573.db2.gz OWELEGCJNNISGJ-UHFFFAOYSA-N 0 0 325.364 4.483 50 0 EIAARN CCCC(=O)Nc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1 ZINC000000471844 209623316 /nfs/dbraw/zinc/62/33/16/209623316.db2.gz WLCQMULIYMKSKI-SFHVURJKSA-N 0 0 340.423 4.221 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000000464197 209617587 /nfs/dbraw/zinc/61/75/87/209617587.db2.gz CKMJNYFBHZQUPE-ZDUSSCGKSA-N 0 0 333.815 4.371 50 0 EIAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000036760829 213117686 /nfs/dbraw/zinc/11/76/86/213117686.db2.gz JIYVTFVWZQXOAQ-INIZCTEOSA-N 0 0 336.410 4.379 50 0 EIAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(F)cc2F)n1 ZINC000036748341 213115906 /nfs/dbraw/zinc/11/59/06/213115906.db2.gz NBGGDJCQRAQDLP-UHFFFAOYSA-N 0 0 327.334 4.020 50 0 EIAARN CSc1ccc2nc(NC(=O)c3ccn(C(C)C)n3)sc2c1 ZINC000036701814 213111244 /nfs/dbraw/zinc/11/12/44/213111244.db2.gz LRQLMSOYXNMICD-UHFFFAOYSA-N 0 0 332.454 4.048 50 0 EIAARN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1cccs1 ZINC000000451134 209607941 /nfs/dbraw/zinc/60/79/41/209607941.db2.gz CSEWPXCTYNDARK-UHFFFAOYSA-N 0 0 331.249 4.182 50 0 EIAARN Cc1cc(C)c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)o1 ZINC000186745706 236006374 /nfs/dbraw/zinc/00/63/74/236006374.db2.gz CHSUGTULHVDTCW-UHFFFAOYSA-N 0 0 338.329 4.027 50 0 EIAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1 ZINC000036620523 213105224 /nfs/dbraw/zinc/10/52/24/213105224.db2.gz ZYUPLTORWWRSRM-LJQANCHMSA-N 0 0 347.455 4.475 50 0 EIAARN CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000036620321 213105065 /nfs/dbraw/zinc/10/50/65/213105065.db2.gz SOALETXGCFYBFV-IBGZPJMESA-N 0 0 329.465 4.083 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000036620816 213104534 /nfs/dbraw/zinc/10/45/34/213104534.db2.gz ATXBRXMFFBGCBD-KRWDZBQOSA-N 0 0 344.386 4.212 50 0 EIAARN CCOc1ccccc1-c1noc(CN[C@@H](c2ccccc2)C2CC2)n1 ZINC000036433565 213098823 /nfs/dbraw/zinc/09/88/23/213098823.db2.gz LJTVGGPYGMXVFN-FQEVSTJZSA-N 0 0 349.434 4.376 50 0 EIAARN O=C1C[C@@]2(c3cccc(Cl)c3Cl)Nc3ccccc3N2C1=O ZINC000036612434 213101655 /nfs/dbraw/zinc/10/16/55/213101655.db2.gz WWDZHIYVZWQXLG-MRXNPFEDSA-N 0 0 333.174 4.060 50 0 EIAARN CCN(C(=O)C[C@H](C)c1cccnc1)[C@H](C)c1cccc(OC)c1 ZINC000070040463 215671742 /nfs/dbraw/zinc/67/17/42/215671742.db2.gz XXTOHTZJKRIWSK-JKSUJKDBSA-N 0 0 326.440 4.194 50 0 EIAARN CCc1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)s1 ZINC000036390741 213094267 /nfs/dbraw/zinc/09/42/67/213094267.db2.gz LFGRFIOMKKGTTB-UHFFFAOYSA-N 0 0 338.432 4.428 50 0 EIAARN O=C1C[C@H](c2ccccc2F)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036365974 213091207 /nfs/dbraw/zinc/09/12/07/213091207.db2.gz ZJZCHJLLESDWDR-CQSZACIVSA-N 0 0 325.318 4.274 50 0 EIAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2F)c1 ZINC000036366449 213090601 /nfs/dbraw/zinc/09/06/01/213090601.db2.gz BYBBRQREVWLDMF-AWEZNQCLSA-N 0 0 337.354 4.144 50 0 EIAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)cc1 ZINC000036366590 213090617 /nfs/dbraw/zinc/09/06/17/213090617.db2.gz OSHNSWZLCHPYPU-KRWDZBQOSA-N 0 0 349.390 4.013 50 0 EIAARN O=C(Nc1ccon1)c1cc2occc2n1Cc1ccc(Cl)cc1 ZINC000036358969 213090047 /nfs/dbraw/zinc/09/00/47/213090047.db2.gz XIBRRRRFJLZNPK-UHFFFAOYSA-N 0 0 341.754 4.176 50 0 EIAARN O=C(c1ccccc1Cl)N1CCC[C@@H](OCc2ccccc2F)C1 ZINC000036314456 213082961 /nfs/dbraw/zinc/08/29/61/213082961.db2.gz JVIMZWZBTCPFDU-OAHLLOKOSA-N 0 0 347.817 4.301 50 0 EIAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)CC ZINC000036114273 213070092 /nfs/dbraw/zinc/07/00/92/213070092.db2.gz XRHDDERHAGHRJI-UHFFFAOYSA-N 0 0 346.496 4.488 50 0 EIAARN CSc1ccccc1C(=O)NC[C@H](O)c1cccc2ccccc21 ZINC000070635987 215701131 /nfs/dbraw/zinc/70/11/31/215701131.db2.gz PKPDWVYXUYBIEO-SFHVURJKSA-N 0 0 337.444 4.025 50 0 EIAARN O=C(NC[C@H](O)c1cccc2ccccc21)c1c(F)cccc1Cl ZINC000070636002 215701362 /nfs/dbraw/zinc/70/13/62/215701362.db2.gz VQDBBXVQJLLTPO-KRWDZBQOSA-N 0 0 343.785 4.096 50 0 EIAARN Cc1ccc(C)c(-n2nc(-c3ccccc3)cc2C(=O)N2CCCC2)c1 ZINC000035708537 213047691 /nfs/dbraw/zinc/04/76/91/213047691.db2.gz KKBGQPHZVLDQFM-UHFFFAOYSA-N 0 0 345.446 4.392 50 0 EIAARN COc1cccc(CN(C)C(=O)/C=C\c2ccc(SC)cc2)c1 ZINC000035681523 213046016 /nfs/dbraw/zinc/04/60/16/213046016.db2.gz VXAZUEGMTYVXKB-XFXZXTDPSA-N 0 0 327.449 4.089 50 0 EIAARN Cc1ccccc1NC1(c2nnnn2-c2ccccc2C)CCCC1 ZINC000035622090 213043104 /nfs/dbraw/zinc/04/31/04/213043104.db2.gz RZQUIMJRDVCLKY-UHFFFAOYSA-N 0 0 333.439 4.161 50 0 EIAARN Cc1ccc(-c2nc(-c3nnc(Nc4ccccc4)s3)c(N)o2)cc1 ZINC000035681794 213045780 /nfs/dbraw/zinc/04/57/80/213045780.db2.gz YPHHELZOTNJYHB-UHFFFAOYSA-N 0 0 349.419 4.494 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2cccc3nsnc32)c1 ZINC000035672811 213045368 /nfs/dbraw/zinc/04/53/68/213045368.db2.gz GDZJPIXXGHLEED-UHFFFAOYSA-N 0 0 327.409 4.123 50 0 EIAARN O=C(NCc1ccco1)c1csc(Nc2cccc(Cl)c2)n1 ZINC000035596747 213039720 /nfs/dbraw/zinc/03/97/20/213039720.db2.gz PIYIWRUBZCKAMP-UHFFFAOYSA-N 0 0 333.800 4.063 50 0 EIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(F)cc1F ZINC000035536494 213036298 /nfs/dbraw/zinc/03/62/98/213036298.db2.gz YWGHFRWFDIXZJU-UHFFFAOYSA-N 0 0 332.281 4.320 50 0 EIAARN Clc1ccc(-c2noc(-c3ccc(NC4CCCC4)nn3)n2)cc1 ZINC000035479197 213031647 /nfs/dbraw/zinc/03/16/47/213031647.db2.gz VUSCQDUNXZUXEZ-UHFFFAOYSA-N 0 0 341.802 4.202 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000035476488 213031329 /nfs/dbraw/zinc/03/13/29/213031329.db2.gz YSWRSIBTOJZCSQ-OAHLLOKOSA-N 0 0 344.798 4.438 50 0 EIAARN CCc1ccc(Nc2nc(C(=O)N3CCCC3)nc3ccccc32)cc1 ZINC000035430034 213027019 /nfs/dbraw/zinc/02/70/19/213027019.db2.gz OEWNFRFENDPKDN-UHFFFAOYSA-N 0 0 346.434 4.172 50 0 EIAARN O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1cccc(F)c1 ZINC000000431086 209597548 /nfs/dbraw/zinc/59/75/48/209597548.db2.gz JWDGPKYMBDQWMV-KCJIIOMUSA-N 0 0 327.742 4.489 50 0 EIAARN CCCC1CCC(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)CC1 ZINC000000430083 209596562 /nfs/dbraw/zinc/59/65/62/209596562.db2.gz INYNXGDQGBGINI-SFQUDFHCSA-N 0 0 342.395 4.498 50 0 EIAARN Cc1cc(C(=O)N2CCCCC[C@@H]2CC(C)C)nc(C(F)(F)F)n1 ZINC000188209222 236471919 /nfs/dbraw/zinc/47/19/19/236471919.db2.gz BKCDQVQSUKNOPW-CYBMUJFWSA-N 0 0 343.393 4.235 50 0 EIAARN O=C(c1ccccc1O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071416132 215771661 /nfs/dbraw/zinc/77/16/61/215771661.db2.gz FMTBCTOEQAJOSW-OAHLLOKOSA-N 0 0 327.399 4.016 50 0 EIAARN COc1ccc2ccc(OC)c(/C=C3\C(=O)Nc4ccccc43)c2c1 ZINC000034914008 212998579 /nfs/dbraw/zinc/99/85/79/212998579.db2.gz FEPNPIMLOYHJJU-PDGQHHTCSA-N 0 0 331.371 4.350 50 0 EIAARN CC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000034797422 212988458 /nfs/dbraw/zinc/98/84/58/212988458.db2.gz RRHKBUYXWWDYGZ-NIKGAXFTSA-N 0 0 331.456 4.305 50 0 EIAARN CCc1ncc2c(n1)CN(C(=O)c1ccc(-c3ccccc3C)cc1)C2 ZINC000071749577 215805802 /nfs/dbraw/zinc/80/58/02/215805802.db2.gz RRHUEOGXLKFHQI-UHFFFAOYSA-N 0 0 343.430 4.170 50 0 EIAARN O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccccc1 ZINC000000427389 209592715 /nfs/dbraw/zinc/59/27/15/209592715.db2.gz IINYRABMNQDUHD-UHFFFAOYSA-N 0 0 343.839 4.257 50 0 EIAARN CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 ZINC000000427693 209592808 /nfs/dbraw/zinc/59/28/08/209592808.db2.gz BSUNLLCMKZGFRQ-WFASDCNBSA-N 0 0 325.408 4.191 50 0 EIAARN Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccc(C)cc1)C2 ZINC000000427723 209592296 /nfs/dbraw/zinc/59/22/96/209592296.db2.gz HUUGMDXWBLKXTB-INIZCTEOSA-N 0 0 339.435 4.357 50 0 EIAARN O=C(N/C=C\n1cnc2cc(C(F)(F)F)ccc21)c1ccc(F)cc1 ZINC000033667485 212958082 /nfs/dbraw/zinc/95/80/82/212958082.db2.gz BZFFZLRAPGDXLW-FPLPWBNLSA-N 0 0 349.287 4.052 50 0 EIAARN CC(C)c1noc(CNc2ccc(OC(F)F)cc2OC(F)F)n1 ZINC000071795710 215830287 /nfs/dbraw/zinc/83/02/87/215830287.db2.gz BYUFAOFCIQAIQQ-UHFFFAOYSA-N 0 0 349.284 4.008 50 0 EIAARN Cc1csc2nc(CSC/C=C\c3ccccc3)cc(=O)n12 ZINC000033466735 212941301 /nfs/dbraw/zinc/94/13/01/212941301.db2.gz FKCUDEROAILDBA-YVMONPNESA-N 0 0 328.462 4.011 50 0 EIAARN CCCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258001 212911142 /nfs/dbraw/zinc/91/11/42/212911142.db2.gz KQDSHAWQHLRGNB-UHFFFAOYSA-N 0 0 346.434 4.417 50 0 EIAARN Cc1ccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1C ZINC000033280218 212915102 /nfs/dbraw/zinc/91/51/02/212915102.db2.gz NQNOESQXMLQCOC-UHFFFAOYSA-N 0 0 338.455 4.010 50 0 EIAARN CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccccc3F)n2)c1 ZINC000033257481 212911592 /nfs/dbraw/zinc/91/15/92/212911592.db2.gz CDQWHIASLSZSPX-UHFFFAOYSA-N 0 0 340.358 4.073 50 0 EIAARN COc1ccccc1C(=O)c1sc(Nc2ccccc2C)nc1N ZINC000033251790 212909300 /nfs/dbraw/zinc/90/93/00/212909300.db2.gz AEWGYVBONOOZGL-UHFFFAOYSA-N 0 0 339.420 4.017 50 0 EIAARN Cc1nc(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)no1 ZINC000033077060 212896405 /nfs/dbraw/zinc/89/64/05/212896405.db2.gz DOGXFCQFSQSESS-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NC1CCCCCC1 ZINC000032974333 212882671 /nfs/dbraw/zinc/88/26/71/212882671.db2.gz NYPCJQQGSYSTKP-UHFFFAOYSA-N 0 0 348.531 4.034 50 0 EIAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OC[C@@H]3CCCCO3)c2C1 ZINC000032964021 212882221 /nfs/dbraw/zinc/88/22/21/212882221.db2.gz DDMJMHYIUTXHRB-GJZGRUSLSA-N 0 0 339.435 4.086 50 0 EIAARN Nc1cc(N)nc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 ZINC000032957860 212880896 /nfs/dbraw/zinc/88/08/96/212880896.db2.gz XUWWAFPUIBNXJY-INIZCTEOSA-N 0 0 342.855 4.176 50 0 EIAARN COc1ccccc1-c1nnc(SCc2ccccc2Cl)n1C ZINC000000422418 209585011 /nfs/dbraw/zinc/58/50/11/209585011.db2.gz WFNSMDUKEYGYIM-UHFFFAOYSA-N 0 0 345.855 4.436 50 0 EIAARN CCc1noc(-c2ccccc2NC(=O)c2ccccc2Cl)n1 ZINC000033012690 212887951 /nfs/dbraw/zinc/88/79/51/212887951.db2.gz YZSBGMZSFOCAIU-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 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/nfs/dbraw/zinc/03/43/48/216034348.db2.gz FZWZMYUBOZDXEZ-KRWDZBQOSA-N 0 0 339.464 4.473 50 0 EIAARN CN(C)c1nc(Cl)c(CN(C)[C@@H]2CCCc3ccccc32)s1 ZINC000072149162 216036530 /nfs/dbraw/zinc/03/65/30/216036530.db2.gz XMUQCNCBQVIYFL-CQSZACIVSA-N 0 0 335.904 4.372 50 0 EIAARN COc1cccc(NC(=O)c2c(C)onc2-c2ccc(F)cc2)c1 ZINC000031872438 212755006 /nfs/dbraw/zinc/75/50/06/212755006.db2.gz YWSVAMFPDKKMIL-UHFFFAOYSA-N 0 0 326.327 4.050 50 0 EIAARN CC[C@H](NC(=O)c1cccc(COC)c1)c1ccccc1OC(F)F ZINC000031755829 212746319 /nfs/dbraw/zinc/74/63/19/212746319.db2.gz HVQKMMKNJFDAPO-INIZCTEOSA-N 0 0 349.377 4.316 50 0 EIAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c1OC ZINC000031819372 212750503 /nfs/dbraw/zinc/75/05/03/212750503.db2.gz MKYALHGYPIDMEB-HNNXBMFYSA-N 0 0 349.390 4.013 50 0 EIAARN CN(C)c1ccc(CCCNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000031664750 212741973 /nfs/dbraw/zinc/74/19/73/212741973.db2.gz RLZOPAKUAXMUST-UHFFFAOYSA-N 0 0 331.847 4.160 50 0 EIAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1n[nH]cc1Br ZINC000072243026 216082567 /nfs/dbraw/zinc/08/25/67/216082567.db2.gz PLKKQBWAKGEKIL-UHFFFAOYSA-N 0 0 342.196 4.092 50 0 EIAARN O=C(NCC[C@H](O)c1ccco1)c1sc2ccccc2c1Cl ZINC000072242741 216082480 /nfs/dbraw/zinc/08/24/80/216082480.db2.gz WZUPKBGGEOIYFH-NSHDSACASA-N 0 0 335.812 4.001 50 0 EIAARN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc3ncccc32)s1 ZINC000072270330 216093013 /nfs/dbraw/zinc/09/30/13/216093013.db2.gz DUGOXBAXPMEQLM-LBPRGKRZSA-N 0 0 325.437 4.141 50 0 EIAARN CCc1cc2c(ncnc2NC[C@@H](O)c2ccc(Cl)cc2)s1 ZINC000030860469 212712569 /nfs/dbraw/zinc/71/25/69/212712569.db2.gz HJCWCVVSXDIZQP-CQSZACIVSA-N 0 0 333.844 4.053 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)CCOCc2ccccc2)n1 ZINC000072273867 216097422 /nfs/dbraw/zinc/09/74/22/216097422.db2.gz UKMQLSKYSYVXJI-KRWDZBQOSA-N 0 0 344.480 4.112 50 0 EIAARN Cc1ccc(OCCCCNC(=O)c2ccc3ncccc3c2)cc1 ZINC000072276960 216103029 /nfs/dbraw/zinc/10/30/29/216103029.db2.gz ZLPIEXCBQJDUIS-UHFFFAOYSA-N 0 0 334.419 4.132 50 0 EIAARN CCN(c1ccc(NC(=O)c2ccc(C)c(OC)c2)cc1)C(C)C 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ZINC000000396043 209568841 /nfs/dbraw/zinc/56/88/41/209568841.db2.gz LZEXBBGUJAIENL-UHFFFAOYSA-N 0 0 342.322 4.212 50 0 EIAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Cl)cc1)CCC3 ZINC000000377328 209558357 /nfs/dbraw/zinc/55/83/57/209558357.db2.gz QLFWCDZTXCULHP-UHFFFAOYSA-N 0 0 343.839 4.273 50 0 EIAARN CCc1nc2c(c(C)nn2-c2ccccc2)c2cc(OC)c(OC)cc21 ZINC000000332955 209538738 /nfs/dbraw/zinc/53/87/38/209538738.db2.gz RCANFFFQPPHUIQ-UHFFFAOYSA-N 0 0 347.418 4.462 50 0 EIAARN Cc1ccc(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 ZINC000000318994 209535693 /nfs/dbraw/zinc/53/56/93/209535693.db2.gz WZMGUORSUWZTOO-UHFFFAOYSA-N 0 0 336.387 4.288 50 0 EIAARN CCOC(=O)c1ccccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000000299291 209523069 /nfs/dbraw/zinc/52/30/69/209523069.db2.gz IZIAYLSAJJMGNN-UHFFFAOYSA-N 0 0 339.174 4.389 50 0 EIAARN CCOCc1ccccc1CNC(=O)c1ccccc1C(F)(F)F ZINC000030508556 212699133 /nfs/dbraw/zinc/69/91/33/212699133.db2.gz CVYJSVSKZYFOMB-UHFFFAOYSA-N 0 0 337.341 4.172 50 0 EIAARN O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)s2)c2ccccc21 ZINC000030058221 212690189 /nfs/dbraw/zinc/69/01/89/212690189.db2.gz AOMYSXBXYZHXPJ-SFQUDFHCSA-N 0 0 331.396 4.226 50 0 EIAARN CC1(C)Cc2nc(NC(=O)c3ccc(Cl)cc3)sc2C(=O)C1 ZINC000000281033 209515689 /nfs/dbraw/zinc/51/56/89/209515689.db2.gz GUUAIUOGHPLLOI-UHFFFAOYSA-N 0 0 334.828 4.204 50 0 EIAARN COc1ccccc1[C@H](O)c1nc2ccccc2n1Cc1ccccc1 ZINC000000266687 209511088 /nfs/dbraw/zinc/51/10/88/209511088.db2.gz BQBITIRKQSSNFH-NRFANRHFSA-N 0 0 344.414 4.175 50 0 EIAARN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCCCC1 ZINC000000263922 209509453 /nfs/dbraw/zinc/50/94/53/209509453.db2.gz QGOULTPSFBFXFI-UHFFFAOYSA-N 0 0 342.675 4.212 50 0 EIAARN Cc1ccc(-c2nc(CN3CCO[C@@H](c4ccccc4)C3)cs2)o1 ZINC000029718901 212678185 /nfs/dbraw/zinc/67/81/85/212678185.db2.gz TXPHMKKRSCXVGE-GOSISDBHSA-N 0 0 340.448 4.285 50 0 EIAARN O=C(NCC1CC1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000029648568 212676727 /nfs/dbraw/zinc/67/67/27/212676727.db2.gz OAZQNTFHSRFHGT-UHFFFAOYSA-N 0 0 336.366 4.288 50 0 EIAARN COc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000000260841 209507831 /nfs/dbraw/zinc/50/78/31/209507831.db2.gz ZKOVNAYBWUDEIT-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccccc2C)cc1Br ZINC000000258661 209506841 /nfs/dbraw/zinc/50/68/41/209506841.db2.gz UALGAZZLQUUBNF-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000000268344 209511697 /nfs/dbraw/zinc/51/16/97/209511697.db2.gz FATGDEAAGCFYAL-CSKARUKUSA-N 0 0 331.799 4.318 50 0 biogenic EIAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000029515691 212671375 /nfs/dbraw/zinc/67/13/75/212671375.db2.gz FGPBGMZFUHHYCY-VXGBXAGGSA-N 0 0 336.501 4.159 50 0 EIAARN O=C(COc1ccccc1Br)Nc1ccccc1Cl ZINC000000245193 209502679 /nfs/dbraw/zinc/50/26/79/209502679.db2.gz BVLREWIDBVTAKF-UHFFFAOYSA-N 0 0 340.604 4.120 50 0 EIAARN CCCN(C(=O)Nc1ccc(OC)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000072305982 216145029 /nfs/dbraw/zinc/14/50/29/216145029.db2.gz FDNSIVRZMTWIHZ-DLBZAZTESA-N 0 0 334.460 4.143 50 0 EIAARN O=C(N[C@@H]1CCc2ccccc21)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000072328888 216152073 /nfs/dbraw/zinc/15/20/73/216152073.db2.gz UDZFLRPBHJFNHB-QGZVFWFLSA-N 0 0 337.810 4.147 50 0 EIAARN Cc1cccc(-c2n[nH]cc2C(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000072329124 216153766 /nfs/dbraw/zinc/15/37/66/216153766.db2.gz OWPAKOWCUFAAPY-UHFFFAOYSA-N 0 0 343.789 4.108 50 0 EIAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccccc2)cc1 ZINC000072328980 216154235 /nfs/dbraw/zinc/15/42/35/216154235.db2.gz ZLYSJKNAHJQOFP-UHFFFAOYSA-N 0 0 349.434 4.186 50 0 EIAARN Cc1ccc(C(=O)Oc2cccc(C(=S)N3CCCCC3)c2)cc1 ZINC000000193163 209475669 /nfs/dbraw/zinc/47/56/69/209475669.db2.gz GMZCPCXUXHAPSI-UHFFFAOYSA-N 0 0 339.460 4.376 50 0 EIAARN COc1ccc(C(=O)Nc2nc3c(cc(C)cc3C)s2)cc1OC ZINC000000193517 209475689 /nfs/dbraw/zinc/47/56/89/209475689.db2.gz FNZZIPSTWXYXLG-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000000192373 209475084 /nfs/dbraw/zinc/47/50/84/209475084.db2.gz UOGSJJLJPOTEOT-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O ZINC000000189942 209474253 /nfs/dbraw/zinc/47/42/53/209474253.db2.gz WOEWZUVYAGJQOT-UHFFFAOYSA-N 0 0 348.276 4.404 50 0 biogenic EIAARN Clc1ccc(CSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000000179799 209467354 /nfs/dbraw/zinc/46/73/54/209467354.db2.gz SOKHGLGIEMOPBH-UHFFFAOYSA-N 0 0 337.235 4.261 50 0 EIAARN CCCc1nc(C)sc1C(=O)Nc1cnc2cc(OC)ccc2c1 ZINC000072405430 216197053 /nfs/dbraw/zinc/19/70/53/216197053.db2.gz DNEKIYMVHNGIGD-UHFFFAOYSA-N 0 0 341.436 4.213 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(Br)ccc1O ZINC000000139689 209445258 /nfs/dbraw/zinc/44/52/58/209445258.db2.gz IACIEELCBUGESW-UHFFFAOYSA-N 0 0 344.567 4.200 50 0 EIAARN Cc1nc(C(=O)Nc2nc(-c3ccccn3)cs2)c(C(C)C)s1 ZINC000072402247 216193821 /nfs/dbraw/zinc/19/38/21/216193821.db2.gz CUACLFMXJMTANG-UHFFFAOYSA-N 0 0 344.465 4.346 50 0 EIAARN O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccccc1F ZINC000000132465 209440300 /nfs/dbraw/zinc/44/03/00/209440300.db2.gz SJGCMEASFGZFCJ-UHFFFAOYSA-N 0 0 336.391 4.312 50 0 EIAARN COc1ccc(-c2cc(N)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000000114223 209430564 /nfs/dbraw/zinc/43/05/64/209430564.db2.gz ZMCSFTFYNSVYAU-UHFFFAOYSA-N 0 0 334.206 4.437 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccc(F)cc1 ZINC000000108547 209426980 /nfs/dbraw/zinc/42/69/80/209426980.db2.gz PAHOYNMTEPZYQS-UHFFFAOYSA-N 0 0 325.318 4.356 50 0 EIAARN CC(=O)c1sccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000000080729 209406356 /nfs/dbraw/zinc/40/63/56/209406356.db2.gz HVIIVDYJDRQRAT-UHFFFAOYSA-N 0 0 339.869 4.476 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000000074851 209403002 /nfs/dbraw/zinc/40/30/02/209403002.db2.gz MLCYOEAQJRJTDS-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN S=C(Nc1ccc(Br)c(Cl)c1)N1CCCCC1 ZINC000000072531 209401736 /nfs/dbraw/zinc/40/17/36/209401736.db2.gz LLLFEWKSEYGWFN-UHFFFAOYSA-N 0 0 333.682 4.285 50 0 EIAARN CCOC(=O)[C@@H](CC)Sc1ncnc2sc3c(c21)CCCC3 ZINC000000084835 209409868 /nfs/dbraw/zinc/40/98/68/209409868.db2.gz HMFWSHCUHWSKIL-LLVKDONJSA-N 0 0 336.482 4.004 50 0 EIAARN COC(=O)c1sccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000082780 209408749 /nfs/dbraw/zinc/40/87/49/209408749.db2.gz TZTNJHQHNQQEPB-UHFFFAOYSA-N 0 0 330.192 4.094 50 0 EIAARN Cc1ccccc1-c1cc(C(=O)NC[C@@H]2CCCO2)c2ccccc2n1 ZINC000000068287 209399936 /nfs/dbraw/zinc/39/99/36/209399936.db2.gz PWVLWJGEZIMKGP-INIZCTEOSA-N 0 0 346.430 4.119 50 0 EIAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)cc1 ZINC000000068411 209399958 /nfs/dbraw/zinc/39/99/58/209399958.db2.gz DKTMUIHTFPJMPT-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl ZINC000000067086 209398693 /nfs/dbraw/zinc/39/86/93/209398693.db2.gz UPOGVOIRLOVHKQ-JTQLQIEISA-N 0 0 349.217 4.371 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(F)(F)F ZINC000000064301 209397068 /nfs/dbraw/zinc/39/70/68/209397068.db2.gz ISSDLEBCNDPLKV-SOFGYWHQSA-N 0 0 335.281 4.086 50 0 EIAARN Cc1cccc(C)c1NC(=O)COc1ccccc1OCC(C)C ZINC000000061956 209395529 /nfs/dbraw/zinc/39/55/29/209395529.db2.gz FGUNHMRESIRHFM-UHFFFAOYSA-N 0 0 327.424 4.356 50 0 EIAARN COc1cc(C=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000000058596 209394477 /nfs/dbraw/zinc/39/44/77/209394477.db2.gz MRMHFLRWGHDADP-UHFFFAOYSA-N 0 0 325.147 4.034 50 0 biogenic EIAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1cccs1 ZINC000000055301 209393306 /nfs/dbraw/zinc/39/33/06/209393306.db2.gz BXKYIGJCQREFTJ-QCDXTXTGSA-N 0 0 325.723 4.024 50 0 EIAARN Cc1cccc2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)oc12 ZINC000027995176 212593613 /nfs/dbraw/zinc/59/36/13/212593613.db2.gz OREHMLORXNDPJC-UHFFFAOYSA-N 0 0 347.292 4.373 50 0 EIAARN Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)nn1 ZINC000072441891 216235158 /nfs/dbraw/zinc/23/51/58/216235158.db2.gz SFBNTKWKFBRYQY-UHFFFAOYSA-N 0 0 341.317 4.108 50 0 EIAARN CCc1ccc(CNc2cc(-c3ccc(F)cc3)nc3ccnn32)nc1 ZINC000072462661 216245018 /nfs/dbraw/zinc/24/50/18/216245018.db2.gz DLJCOAOVANCGGU-UHFFFAOYSA-N 0 0 347.397 4.105 50 0 EIAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@@H]1CCc2ccccc21 ZINC000072463609 216246460 /nfs/dbraw/zinc/24/64/60/216246460.db2.gz XSCPCJSUYOOSSQ-LJQANCHMSA-N 0 0 332.403 4.030 50 0 EIAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1occc1-c1ccccc1 ZINC000027838472 212580740 /nfs/dbraw/zinc/58/07/40/212580740.db2.gz DWRRRJBYEIYBCL-QGZVFWFLSA-N 0 0 346.430 4.203 50 0 EIAARN COc1cccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000027799444 212579216 /nfs/dbraw/zinc/57/92/16/212579216.db2.gz BVLRYRJXZLLOPJ-UHFFFAOYSA-N 0 0 339.313 4.165 50 0 EIAARN Cc1nc(CC(=O)N[C@@H](c2cccs2)c2ccccc2C)cs1 ZINC000072469281 216249195 /nfs/dbraw/zinc/24/91/95/216249195.db2.gz APDXTQACPKZDGL-GOSISDBHSA-N 0 0 342.489 4.270 50 0 EIAARN Cc1nc(CC(=O)N[C@H](c2cccs2)c2ccccc2C)cs1 ZINC000072469279 216249286 /nfs/dbraw/zinc/24/92/86/216249286.db2.gz APDXTQACPKZDGL-SFHVURJKSA-N 0 0 342.489 4.270 50 0 EIAARN Cc1cc2nc(-c3ccccc3)cc(N[C@H](C)Cc3cccnc3)n2n1 ZINC000072479846 216260065 /nfs/dbraw/zinc/26/00/65/216260065.db2.gz VJNXIPPIGOOZRH-OAHLLOKOSA-N 0 0 343.434 4.143 50 0 EIAARN C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000072496031 216263408 /nfs/dbraw/zinc/26/34/08/216263408.db2.gz BSVPATUGSKDIQR-CQSZACIVSA-N 0 0 334.419 4.017 50 0 EIAARN O=C(C1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000027384259 212555366 /nfs/dbraw/zinc/55/53/66/212555366.db2.gz PVSUMHTVMONAKG-QGZVFWFLSA-N 0 0 329.440 4.092 50 0 EIAARN CCn1c(C)cc(C(=O)N(C)Cc2nc3ccccc3s2)c1C ZINC000027135602 212547617 /nfs/dbraw/zinc/54/76/17/212547617.db2.gz VNWNNTHQQQLPOV-UHFFFAOYSA-N 0 0 327.453 4.007 50 0 EIAARN Cc1csc(C(C)(C)NCc2nnc(-c3cccc(Cl)c3)o2)n1 ZINC000072663050 216290421 /nfs/dbraw/zinc/29/04/21/216290421.db2.gz RYKXOSYSNWRPJK-UHFFFAOYSA-N 0 0 348.859 4.180 50 0 EIAARN Cc1ccsc1CNC(=O)c1cc2cc(Cl)ccc2nc1C ZINC000025720260 212495124 /nfs/dbraw/zinc/49/51/24/212495124.db2.gz DZELGBWIMISHIS-UHFFFAOYSA-N 0 0 330.840 4.497 50 0 EIAARN CC[C@H](NC(=O)c1ccc(C)nc1C)c1nc(C(F)(F)F)cs1 ZINC000073279469 216373066 /nfs/dbraw/zinc/37/30/66/216373066.db2.gz VLDFGAQDYFWYJR-NSHDSACASA-N 0 0 343.374 4.055 50 0 EIAARN FC(F)(F)c1nc2ccccc2c(Nc2ccc3c(c2)OCO3)n1 ZINC000025369000 212476167 /nfs/dbraw/zinc/47/61/67/212476167.db2.gz ZFSYVXJOSAJBOS-UHFFFAOYSA-N 0 0 333.269 4.121 50 0 EIAARN O=C(Cc1cnc2ccccc2c1)N(c1ccccn1)C1CCCC1 ZINC000191384439 239079780 /nfs/dbraw/zinc/07/97/80/239079780.db2.gz NRHOBVGUFLCWOK-UHFFFAOYSA-N 0 0 331.419 4.148 50 0 EIAARN S=c1scnn1CN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024988824 212452710 /nfs/dbraw/zinc/45/27/10/212452710.db2.gz NKWNJGRDKCKBER-LBPRGKRZSA-N 0 0 348.522 4.468 50 0 EIAARN Cc1sc(NC(=O)c2cccc(C)n2)nc1-c1ccc(F)c(F)c1 ZINC000024763140 212437426 /nfs/dbraw/zinc/43/74/26/212437426.db2.gz CHAOBEAQSBGYHY-UHFFFAOYSA-N 0 0 345.374 4.352 50 0 EIAARN O=C(Nc1ccc(-n2cccn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000024587650 212427974 /nfs/dbraw/zinc/42/79/74/212427974.db2.gz CIDMKHYYLVFUPT-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN CCCCC[C@@H](C)NC(=O)c1ccccc1SCc1noc(C)n1 ZINC000024431122 212420004 /nfs/dbraw/zinc/42/00/04/212420004.db2.gz FPGWOBRSYBFVAD-CYBMUJFWSA-N 0 0 347.484 4.369 50 0 EIAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc2ccccc2c1 ZINC000024045196 212406345 /nfs/dbraw/zinc/40/63/45/212406345.db2.gz LGNZPQNHQNRPRD-HNNXBMFYSA-N 0 0 343.430 4.269 50 0 EIAARN c1c(CNc2ccc(O[C@@H]3CCOC3)cc2)onc1-c1ccccc1 ZINC000132271176 223314973 /nfs/dbraw/zinc/31/49/73/223314973.db2.gz GEHXJOCLDDXNAS-GOSISDBHSA-N 0 0 336.391 4.121 50 0 EIAARN O=C(c1cc2cc(F)ccc2s1)N1CCO[C@@H](c2ccccc2)C1 ZINC000023897128 212399147 /nfs/dbraw/zinc/39/91/47/212399147.db2.gz XDMYFHIGJKUWME-MRXNPFEDSA-N 0 0 341.407 4.254 50 0 EIAARN c1c(CNc2ccc(O[C@H]3CCOC3)cc2)onc1-c1ccccc1 ZINC000132271347 223315285 /nfs/dbraw/zinc/31/52/85/223315285.db2.gz GEHXJOCLDDXNAS-SFHVURJKSA-N 0 0 336.391 4.121 50 0 EIAARN C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1cccs1 ZINC000023785885 212394086 /nfs/dbraw/zinc/39/40/86/212394086.db2.gz TXHZUKLLMTYOHK-JTQLQIEISA-N 0 0 337.828 4.054 50 0 EIAARN Cc1ccc(-c2ccc(OCC(=O)NCc3cccs3)cc2)cc1 ZINC000023656527 212389497 /nfs/dbraw/zinc/38/94/97/212389497.db2.gz ZKELMVKJPVGTIP-UHFFFAOYSA-N 0 0 337.444 4.419 50 0 EIAARN CCCN(CC1CC1)C(=O)c1cc(-c2cn[nH]c2)nc2c(C)cccc12 ZINC000023506976 212381851 /nfs/dbraw/zinc/38/18/51/212381851.db2.gz HZBCAYCSGROIET-UHFFFAOYSA-N 0 0 348.450 4.196 50 0 EIAARN CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)cc3)c2C1 ZINC000023485682 212379298 /nfs/dbraw/zinc/37/92/98/212379298.db2.gz XOJLUIJWQDLGFT-UHFFFAOYSA-N 0 0 349.409 4.004 50 0 EIAARN C[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000023445339 212378141 /nfs/dbraw/zinc/37/81/41/212378141.db2.gz YUXSBVKVGPQWHN-INIZCTEOSA-N 0 0 335.447 4.058 50 0 EIAARN Cc1[nH]c([C@@H]2CC(=O)N(c3cccc(F)c3)C2)nc1-c1ccccc1 ZINC000023311308 212367324 /nfs/dbraw/zinc/36/73/24/212367324.db2.gz LAJQTXXPSJOHLE-OAHLLOKOSA-N 0 0 335.382 4.045 50 0 EIAARN Cc1ccc(CNC(=O)N(Cc2ccco2)Cc2ccco2)cc1F ZINC000023174533 212358591 /nfs/dbraw/zinc/35/85/91/212358591.db2.gz ZENBJWNCHZFQJA-UHFFFAOYSA-N 0 0 342.370 4.232 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)[nH]n2)s1 ZINC000023108126 212348312 /nfs/dbraw/zinc/34/83/12/212348312.db2.gz XFYMKCYYXICNAE-UONOGXRCSA-N 0 0 329.469 4.099 50 0 EIAARN CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000023079555 212346885 /nfs/dbraw/zinc/34/68/85/212346885.db2.gz CSFGEIVFTGZIKI-AWEZNQCLSA-N 0 0 345.464 4.377 50 0 EIAARN O=C(Nc1cccc(-c2nnco2)c1)c1cc2c(cccc2F)s1 ZINC000023146802 212355524 /nfs/dbraw/zinc/35/55/24/212355524.db2.gz HEYCFECXKOBNAL-UHFFFAOYSA-N 0 0 339.351 4.343 50 0 EIAARN O=C(Nc1noc2nc(-c3ccccc3)cc(C(F)(F)F)c12)C1CC1 ZINC000023128144 212352682 /nfs/dbraw/zinc/35/26/82/212352682.db2.gz MPAJLQMQYTTZSB-UHFFFAOYSA-N 0 0 347.296 4.257 50 0 EIAARN CCOc1cc(/C=C/C(=O)N(C)Cc2ccc(C)cc2)ccc1OC ZINC000023055111 212345775 /nfs/dbraw/zinc/34/57/75/212345775.db2.gz VQWOWMNTAFEEQG-ACCUITESSA-N 0 0 339.435 4.074 50 0 EIAARN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc2cccnc21 ZINC000023074103 212344996 /nfs/dbraw/zinc/34/49/96/212344996.db2.gz CFRGKZJXWCCLJS-GOSISDBHSA-N 0 0 348.402 4.045 50 0 EIAARN Cc1noc(C(C)C)c1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000023032779 212343052 /nfs/dbraw/zinc/34/30/52/212343052.db2.gz WEBCZIPFJCRGLE-LBPRGKRZSA-N 0 0 340.379 4.016 50 0 EIAARN Cc1cc(C)cc(/N=c2\scc(-c3cccs3)n2CCO)c1 ZINC000022855570 212329953 /nfs/dbraw/zinc/32/99/53/212329953.db2.gz YTEQZALOQOMHGN-ZCXUNETKSA-N 0 0 330.478 4.120 50 0 EIAARN c1cc2c(ncnc2N2CCC[C@H]2c2nc(-c3ccccc3)no2)s1 ZINC000193137199 240036924 /nfs/dbraw/zinc/03/69/24/240036924.db2.gz QPVKIZZIFUKJCL-AWEZNQCLSA-N 0 0 349.419 4.083 50 0 EIAARN COC(=O)/C=C/c1ccc(OCc2ccc(Cl)s2)c(OC)c1 ZINC000022757874 212321266 /nfs/dbraw/zinc/32/12/66/212321266.db2.gz GZUBHPKZLYYWKF-XBXARRHUSA-N 0 0 338.812 4.175 50 0 EIAARN Cc1cc2[nH]c3c(c2c(C)c1)C[C@H](NC(=O)Cc1ccccc1C)CC3 ZINC000022649689 212315199 /nfs/dbraw/zinc/31/51/99/212315199.db2.gz XMYJHDNOSBQYOC-GOSISDBHSA-N 0 0 346.474 4.309 50 0 EIAARN C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccncc1 ZINC000022622101 212312062 /nfs/dbraw/zinc/31/20/62/212312062.db2.gz GSEKZCFKNWJIHK-JTQLQIEISA-N 0 0 326.343 4.185 50 0 EIAARN Cc1cccc(N[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C ZINC000022465060 212299219 /nfs/dbraw/zinc/29/92/19/212299219.db2.gz IXXJLNFYJGJLLD-SIHNGCNOSA-N 0 0 326.484 4.189 50 0 EIAARN Cc1nc2c(s1)[C@H](N(C)C(=O)Cc1ccc(Cl)s1)CCC2 ZINC000193634378 240245403 /nfs/dbraw/zinc/24/54/03/240245403.db2.gz REJXSSCMYZNXGB-GFCCVEGCSA-N 0 0 340.901 4.245 50 0 EIAARN CN(C)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cn1 ZINC000022396557 212294121 /nfs/dbraw/zinc/29/41/21/212294121.db2.gz BZZUSCQGTZRVFI-UHFFFAOYSA-N 0 0 345.402 4.024 50 0 EIAARN CO[C@@H](C)c1cccc(NC(=O)NCc2ccc3ncccc3c2)c1 ZINC000193756738 240299894 /nfs/dbraw/zinc/29/98/94/240299894.db2.gz AUZGHOIGJIESAM-AWEZNQCLSA-N 0 0 335.407 4.264 50 0 EIAARN CCC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000022322958 212289874 /nfs/dbraw/zinc/28/98/74/212289874.db2.gz VKQJBICZGZAFPM-NWDGAFQWSA-N 0 0 337.485 4.424 50 0 EIAARN CC(C)n1nccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000022292448 212288581 /nfs/dbraw/zinc/28/85/81/212288581.db2.gz VQWKIFLQOPVVEH-UHFFFAOYSA-N 0 0 330.775 4.025 50 0 EIAARN O=C(c1ccc(F)c(F)c1F)N1CCC(Cc2ccccc2)CC1 ZINC000022333228 212291070 /nfs/dbraw/zinc/29/10/70/212291070.db2.gz KFZNTHIXVXHWRH-UHFFFAOYSA-N 0 0 333.353 4.199 50 0 EIAARN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H]1c1ccccc1 ZINC000022328731 212290661 /nfs/dbraw/zinc/29/06/61/212290661.db2.gz AOTYLXRDAOKUHX-SJLPKXTDSA-N 0 0 341.838 4.255 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)Cc3ccc4c(c3)CCCC4)cnc21 ZINC000022258803 212286605 /nfs/dbraw/zinc/28/66/05/212286605.db2.gz RHUXRQDZQQIUTR-UHFFFAOYSA-N 0 0 348.450 4.072 50 0 EIAARN CCCC(=O)N(Cc1c(C)[nH]c(C(=O)OCC)c1C)C1CCCCC1 ZINC000075352871 216611448 /nfs/dbraw/zinc/61/14/48/216611448.db2.gz ROGIDCARPJHGLB-UHFFFAOYSA-N 0 0 348.487 4.270 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)NCc2coc(-c3cccs3)n2)C1(C)C ZINC000022186454 212281631 /nfs/dbraw/zinc/28/16/31/212281631.db2.gz 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/nfs/dbraw/zinc/08/17/52/241081752.db2.gz MQKNOSGIIUZYGW-GOSISDBHSA-N 0 0 344.455 4.216 50 0 EIAARN Cc1csc(C(=O)Nc2ccccc2Cc2nc(C3CC3)no2)c1 ZINC000206669106 241047550 /nfs/dbraw/zinc/04/75/50/241047550.db2.gz WPSWGVYQAACQDF-UHFFFAOYSA-N 0 0 339.420 4.160 50 0 EIAARN O=C(Cn1ccc2ccccc21)NCc1cncc(-c2ccsc2)c1 ZINC000206946574 241056173 /nfs/dbraw/zinc/05/61/73/241056173.db2.gz SCMLTSQYAWHPEU-UHFFFAOYSA-N 0 0 347.443 4.081 50 0 EIAARN O=C(CC(F)(F)F)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206998022 241060995 /nfs/dbraw/zinc/06/09/95/241060995.db2.gz IEQMMDASJJDSTR-GFCCVEGCSA-N 0 0 337.794 4.299 50 0 EIAARN Cc1cc(C(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)c(C)o1 ZINC000207964358 241062941 /nfs/dbraw/zinc/06/29/41/241062941.db2.gz YAVDTZNGZSWADQ-INIZCTEOSA-N 0 0 347.461 4.031 50 0 EIAARN Cc1ccccc1C(=O)NCc1ccc([C@H](O)c2ccsc2)s1 ZINC000207964128 241064073 /nfs/dbraw/zinc/06/40/73/241064073.db2.gz FZMCFSVKSCFWAK-QGZVFWFLSA-N 0 0 343.473 4.130 50 0 EIAARN CC[C@H](c1cccnc1)N(C)C(=O)Cc1c(C)[nH]c2c1cccc2F ZINC000216116924 241166788 /nfs/dbraw/zinc/16/67/88/241166788.db2.gz SGDYUWXQGIGZAC-GOSISDBHSA-N 0 0 339.414 4.163 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)Sc2ncnc3ccsc32)cc1F ZINC000022005545 212270348 /nfs/dbraw/zinc/27/03/48/212270348.db2.gz PNXGGNNATLREMU-JTQLQIEISA-N 0 0 347.440 4.258 50 0 EIAARN O=C(c1ccc(-c2ccco2)cc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000219330676 241381622 /nfs/dbraw/zinc/38/16/22/241381622.db2.gz NHDNJRSYLYPSCL-HXUWFJFHSA-N 0 0 333.387 4.160 50 0 EIAARN COc1cccc(CCC(=O)Nc2cc(-c3cc[nH]n3)sc2C)c1 ZINC000075519327 216628982 /nfs/dbraw/zinc/62/89/82/216628982.db2.gz NVAJLXMCYDUXCX-UHFFFAOYSA-N 0 0 341.436 4.027 50 0 EIAARN COCC1(CNC(=O)c2ccccc2-c2ccc(F)cc2)CCCC1 ZINC000219519256 241392862 /nfs/dbraw/zinc/39/28/62/241392862.db2.gz BRGRFJNEQXCDTJ-UHFFFAOYSA-N 0 0 341.426 4.429 50 0 EIAARN CCC[C@H](NC(=O)Cc1c(C)nn(CC(C)C)c1C)c1ccccc1 ZINC000021929100 212264153 /nfs/dbraw/zinc/26/41/53/212264153.db2.gz WPXWYKSLYSPGPQ-FQEVSTJZSA-N 0 0 341.499 4.356 50 0 EIAARN 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4.410 50 0 EIAARN Cc1cnc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)o1 ZINC000075717861 216654641 /nfs/dbraw/zinc/65/46/41/216654641.db2.gz NUJATBXAGXAJJW-CQSZACIVSA-N 0 0 345.201 4.002 50 0 EIAARN O=C(Cc1cccs1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000222967957 241584453 /nfs/dbraw/zinc/58/44/53/241584453.db2.gz MDIDLWHVSVGZCO-SFHVURJKSA-N 0 0 342.851 4.245 50 0 EIAARN Cc1ccc2[nH]c(SCc3nnc(-c4cccs4)o3)nc2c1 ZINC000021734921 212245921 /nfs/dbraw/zinc/24/59/21/212245921.db2.gz BDLWXODNGNAOFW-UHFFFAOYSA-N 0 0 328.422 4.275 50 0 EIAARN COc1ccc(-c2cc3ncc4c(n3n2)-c2cc(F)ccc2OC4)cc1 ZINC000021729180 212245402 /nfs/dbraw/zinc/24/54/02/212245402.db2.gz WEZYSZYXTBVSOY-UHFFFAOYSA-N 0 0 347.349 4.103 50 0 EIAARN CCc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc1 ZINC000225782182 242031695 /nfs/dbraw/zinc/03/16/95/242031695.db2.gz AVUMMCKSKHFTQA-OAQYLSRUSA-N 0 0 335.451 4.013 50 0 EIAARN O=C(c1ccco1)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccs1 ZINC000225780991 242031831 /nfs/dbraw/zinc/03/18/31/242031831.db2.gz 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/nfs/dbraw/zinc/23/19/65/212231965.db2.gz YIWGMBRZBFFJFC-UHFFFAOYSA-N 0 0 326.318 4.055 50 0 EIAARN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000229679908 242187794 /nfs/dbraw/zinc/18/77/94/242187794.db2.gz FAYQCTPDKHVNEW-WCQYABFASA-N 0 0 325.334 4.072 50 0 EIAARN Cc1nnc(-c2cccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)c2)o1 ZINC000230154615 242239006 /nfs/dbraw/zinc/23/90/06/242239006.db2.gz PNSDEEYSQQRVPW-DOPJRALCSA-N 0 0 339.439 4.086 50 0 EIAARN CCOC(=O)c1ccoc1COC(=O)c1oc2ccc(F)cc2c1C ZINC000021445817 212224465 /nfs/dbraw/zinc/22/44/65/212224465.db2.gz CCOSFOSBFVLWNP-UHFFFAOYSA-N 0 0 346.310 4.007 50 0 EIAARN CCCn1c(=O)sc2cc(NC(=O)c3c(F)cccc3F)ccc21 ZINC000021355070 212222024 /nfs/dbraw/zinc/22/20/24/212222024.db2.gz VCDHQCQPCBXGMH-UHFFFAOYSA-N 0 0 348.374 4.004 50 0 EIAARN C[C@H]1CCc2c(sc3nc(SCC(=O)C(C)(C)C)nc(N)c32)C1 ZINC000021228502 212217341 /nfs/dbraw/zinc/21/73/41/212217341.db2.gz IVQOZMSZDFFPIR-VIFPVBQESA-N 0 0 349.525 4.106 50 0 EIAARN Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000021183465 212215812 /nfs/dbraw/zinc/21/58/12/212215812.db2.gz ZGAHUNDCEIHUJY-KRWDZBQOSA-N 0 0 335.856 4.078 50 0 EIAARN Cc1nc(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)cs1 ZINC000021175506 212214537 /nfs/dbraw/zinc/21/45/37/212214537.db2.gz XRDJRWHQHIEHLC-UHFFFAOYSA-N 0 0 329.450 4.065 50 0 EIAARN Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)s1 ZINC000021175491 212214576 /nfs/dbraw/zinc/21/45/76/212214576.db2.gz AGXMOZWHSMXTBJ-UHFFFAOYSA-N 0 0 329.450 4.444 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc2)cs1 ZINC000076068868 216701971 /nfs/dbraw/zinc/70/19/71/216701971.db2.gz WOMMHKYKCRDEEC-LBPRGKRZSA-N 0 0 347.484 4.037 50 0 EIAARN COc1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3o2)cc1 ZINC000021110126 212209024 /nfs/dbraw/zinc/20/90/24/212209024.db2.gz SPDKELKWIPCDCZ-UHFFFAOYSA-N 0 0 348.358 4.251 50 0 EIAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccccc2F)cc1 ZINC000021107810 212208347 /nfs/dbraw/zinc/20/83/47/212208347.db2.gz JJGYTRPDXGGESX-LJQANCHMSA-N 0 0 333.366 4.300 50 0 EIAARN Cc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)c1 ZINC000021106176 212207068 /nfs/dbraw/zinc/20/70/68/212207068.db2.gz YICFIFSRHUGGCY-GOSISDBHSA-N 0 0 335.432 4.218 50 0 EIAARN O=C(C[C@H](c1ccccc1)n1cccc1)Nc1ccc(F)cc1F ZINC000021016107 212201148 /nfs/dbraw/zinc/20/11/48/212201148.db2.gz NYLRSINJGCXACO-GOSISDBHSA-N 0 0 326.346 4.385 50 0 EIAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3cccc(C)c3C)n[nH]c1-2 ZINC000021018324 212200651 /nfs/dbraw/zinc/20/06/51/212200651.db2.gz FPIVVFLKKUNMSK-UHFFFAOYSA-N 0 0 347.418 4.053 50 0 EIAARN Cc1ccc(CNC(=O)C[C@@H](c2ccc(C)cc2)n2cccc2)cc1 ZINC000020997881 212198000 /nfs/dbraw/zinc/19/80/00/212198000.db2.gz OHEYEFNTKKZSDZ-NRFANRHFSA-N 0 0 332.447 4.401 50 0 EIAARN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000242324442 243018324 /nfs/dbraw/zinc/01/83/24/243018324.db2.gz ZBHDOGLZSVIXKP-RBUKOAKNSA-N 0 0 347.393 4.333 50 0 EIAARN CSc1ccccc1NC(=O)NCC1(COc2ccccc2)CC1 ZINC000244700928 243059787 /nfs/dbraw/zinc/05/97/87/243059787.db2.gz JWOTWBJLYIGFHS-UHFFFAOYSA-N 0 0 342.464 4.389 50 0 EIAARN CC(C)c1ccc(-c2noc(-c3cn(C)c4ccccc4c3=O)n2)cc1 ZINC000020720158 212164194 /nfs/dbraw/zinc/16/41/94/212164194.db2.gz QJTHGPIKNVUNLX-UHFFFAOYSA-N 0 0 345.402 4.379 50 0 EIAARN CCc1cc(=O)oc2c1ccc1c2CN([C@@H](C)c2ccccc2)CO1 ZINC000020610200 212155478 /nfs/dbraw/zinc/15/54/78/212155478.db2.gz UAWDMSXWKSKYAG-AWEZNQCLSA-N 0 0 335.403 4.269 50 0 biogenic EIAARN C[C@@H](NC(=O)c1cc2c3c(ccc2Cl)OCCn13)c1ccccc1 ZINC000020559924 212146757 /nfs/dbraw/zinc/14/67/57/212146757.db2.gz VDEJRPMZIUPFRU-GFCCVEGCSA-N 0 0 340.810 4.178 50 0 EIAARN COc1cccc(CNC(=O)C2=Cc3sc(C)c(C)c3CS2)c1 ZINC000020557346 212146395 /nfs/dbraw/zinc/14/63/95/212146395.db2.gz XBPLOQHVIQTZNU-UHFFFAOYSA-N 0 0 345.489 4.278 50 0 EIAARN CN(Cc1ccco1)c1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020575085 212148752 /nfs/dbraw/zinc/14/87/52/212148752.db2.gz DTRMCGNJXIRIKA-UHFFFAOYSA-N 0 0 340.770 4.168 50 0 EIAARN C[C@H]1CCCC[C@@H]1Nc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574486 212148493 /nfs/dbraw/zinc/14/84/93/212148493.db2.gz MHYUOWCQIMGWDO-FZMZJTMJSA-N 0 0 326.375 4.415 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1OC ZINC000020551118 212147021 /nfs/dbraw/zinc/14/70/21/212147021.db2.gz CSDVOSSTKXKCFZ-CYBMUJFWSA-N 0 0 340.423 4.075 50 0 EIAARN COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000020550831 212147055 /nfs/dbraw/zinc/14/70/55/212147055.db2.gz BFKMACRPIPGOOE-CYBMUJFWSA-N 0 0 340.423 4.075 50 0 EIAARN O=C(CCC(F)(F)F)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000020543238 212145260 /nfs/dbraw/zinc/14/52/60/212145260.db2.gz GGXHSAAZNLCFEU-CYBMUJFWSA-N 0 0 349.343 4.479 50 0 EIAARN Cc1ccc(Cl)cc1N(C)C(=O)NCc1noc2ccccc21 ZINC000020516613 212142844 /nfs/dbraw/zinc/14/28/44/212142844.db2.gz SUHYGZLYJZJFDP-UHFFFAOYSA-N 0 0 329.787 4.136 50 0 EIAARN Cc1cccc(CCNc2c(=O)c(=O)c2-c2ccc(C(C)C)cc2)c1 ZINC000020510288 212141732 /nfs/dbraw/zinc/14/17/32/212141732.db2.gz XXJICRWDPZIKSK-UHFFFAOYSA-N 0 0 333.431 4.036 50 0 EIAARN O=C(Nc1cc(F)c(F)cc1Cl)OCc1ccc2c(c1)OCO2 ZINC000020493996 212140779 /nfs/dbraw/zinc/14/07/79/212140779.db2.gz SKHWAEIFYVZAMY-UHFFFAOYSA-N 0 0 341.697 4.096 50 0 EIAARN O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccccn1 ZINC000253407325 243915347 /nfs/dbraw/zinc/91/53/47/243915347.db2.gz JSVYGAWZNGSGBN-MRXNPFEDSA-N 0 0 325.799 4.155 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccc(C)cc1C ZINC000020467842 212134725 /nfs/dbraw/zinc/13/47/25/212134725.db2.gz LMPALTLJUXFUMK-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN CCc1ccccc1Nc1c(C(C)=O)nnn1-c1ccc(Cl)cc1 ZINC000020443939 212129416 /nfs/dbraw/zinc/12/94/16/212129416.db2.gz YTAGNPDLGOBUSJ-UHFFFAOYSA-N 0 0 340.814 4.429 50 0 EIAARN O=C(NCc1cnc(Cl)s1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000253630156 244041684 /nfs/dbraw/zinc/04/16/84/244041684.db2.gz ROPZUQNWEXYQOQ-DTWKUNHWSA-N 0 0 345.226 4.009 50 0 EIAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(F)c2)cc1 ZINC000020437362 212129128 /nfs/dbraw/zinc/12/91/28/212129128.db2.gz RKUZLOPHRKEFTA-IBGZPJMESA-N 0 0 333.366 4.300 50 0 EIAARN Cc1cnc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)s1 ZINC000020426896 212127955 /nfs/dbraw/zinc/12/79/55/212127955.db2.gz HLQUNPGVSFPRJP-UHFFFAOYSA-N 0 0 343.355 4.332 50 0 EIAARN CCOC(=O)c1c(C)oc2ncnc(Nc3cccc(Cl)c3)c21 ZINC000020330149 212119672 /nfs/dbraw/zinc/11/96/72/212119672.db2.gz PDBLGJADHNEWMC-UHFFFAOYSA-N 0 0 331.759 4.105 50 0 EIAARN Clc1cccc(-c2noc3ncnc(N4CCCCCC4)c23)c1 ZINC000020329585 212119686 /nfs/dbraw/zinc/11/96/86/212119686.db2.gz GVJFMNFOVGRUPO-UHFFFAOYSA-N 0 0 328.803 4.319 50 0 EIAARN Cc1cc(Cn2ccc(-c3cccc(-c4ccc(C)nc4)c3)n2)no1 ZINC000020255632 212114961 /nfs/dbraw/zinc/11/49/61/212114961.db2.gz YATPSSUHEGKSAJ-UHFFFAOYSA-N 0 0 330.391 4.265 50 0 EIAARN Cc1ccc(C2(c3ccc(C)c(O)c3)OC(=O)c3ccccc32)cc1O ZINC000020231223 212113819 /nfs/dbraw/zinc/11/38/19/212113819.db2.gz VCSUYXUJFRFUEL-UHFFFAOYSA-N 0 0 346.382 4.177 50 0 EIAARN c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 ZINC000020070138 212099816 /nfs/dbraw/zinc/09/98/16/212099816.db2.gz ADYNDGBDWNQGKT-TZIWHRDSSA-N 0 0 327.387 4.324 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000020096481 212100548 /nfs/dbraw/zinc/10/05/48/212100548.db2.gz FWOUZOPIKKTXQT-UHFFFAOYSA-N 0 0 336.435 4.404 50 0 EIAARN CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020001408 212093743 /nfs/dbraw/zinc/09/37/43/212093743.db2.gz UHQUIYGXGXSKAO-UHFFFAOYSA-N 0 0 348.226 4.348 50 0 EIAARN Fc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 ZINC000019995193 212093339 /nfs/dbraw/zinc/09/33/39/212093339.db2.gz USLBFDZEUDWTHL-UHFFFAOYSA-N 0 0 330.322 4.368 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000019910820 212082890 /nfs/dbraw/zinc/08/28/90/212082890.db2.gz OBUALOMXSLSIHU-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN FC(F)(F)c1nnc2sc(-c3ccc(-c4ccccc4)o3)nn21 ZINC000019910151 212082465 /nfs/dbraw/zinc/08/24/65/212082465.db2.gz BPEJEJUGGZSAHZ-UHFFFAOYSA-N 0 0 336.298 4.132 50 0 EIAARN Fc1ccccc1Cc1nnc2sc(-c3ccccc3Cl)nn12 ZINC000019909992 212082398 /nfs/dbraw/zinc/08/23/98/212082398.db2.gz IONUINUUQDISEH-UHFFFAOYSA-N 0 0 344.802 4.236 50 0 EIAARN O=C1CS[C@H](c2cccc(Cl)c2Cl)N1Cc1ccco1 ZINC000019926962 212084900 /nfs/dbraw/zinc/08/49/00/212084900.db2.gz FNJHBCGDNBIETI-CQSZACIVSA-N 0 0 328.220 4.361 50 0 EIAARN CCCc1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 ZINC000019923007 212084905 /nfs/dbraw/zinc/08/49/05/212084905.db2.gz UZDHZQPLRGURKV-UHFFFAOYSA-N 0 0 334.448 4.256 50 0 EIAARN O[C@H](CNc1ccccc1)COc1ccc(OCc2ccccc2)cc1 ZINC000019898674 212080940 /nfs/dbraw/zinc/08/09/40/212080940.db2.gz AOALQQVJJFMFNX-HXUWFJFHSA-N 0 0 349.430 4.117 50 0 EIAARN CSC[C@@H](C)N(C)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000077440886 216906752 /nfs/dbraw/zinc/90/67/52/216906752.db2.gz HHRAMGGPKXNIDL-GFCCVEGCSA-N 0 0 348.472 4.075 50 0 EIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 ZINC000019862780 212077709 /nfs/dbraw/zinc/07/77/09/212077709.db2.gz DRDLGUTZWFPYNZ-UHFFFAOYSA-N 0 0 332.722 4.173 50 0 EIAARN CCCCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)cc2)c1=N ZINC000019832389 212072757 /nfs/dbraw/zinc/07/27/57/212072757.db2.gz NVBRUDUQVFCLRC-GOSISDBHSA-N 0 0 343.858 4.109 50 0 EIAARN CN1CCN([C@@H](c2cccc(Cl)c2)c2ccccc2Cl)CC1 ZINC000019801754 212070150 /nfs/dbraw/zinc/07/01/50/212070150.db2.gz UYUKSGQLYHPHCQ-SFHVURJKSA-N 0 0 335.278 4.330 50 0 EIAARN CCOc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000019788217 212066655 /nfs/dbraw/zinc/06/66/55/212066655.db2.gz YCCKHBGJOREDRL-UHFFFAOYSA-N 0 0 344.886 4.057 50 0 EIAARN Cc1ccccc1CN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000019790071 212066361 /nfs/dbraw/zinc/06/63/61/212066361.db2.gz IVHBDHBBOZNGKR-UHFFFAOYSA-N 0 0 344.458 4.106 50 0 EIAARN CCOCCOc1cccc(NCCOc2c(C)cccc2C)c1 ZINC000019738521 212060603 /nfs/dbraw/zinc/06/06/03/212060603.db2.gz KSXXNQXEWPVTCY-UHFFFAOYSA-N 0 0 329.440 4.210 50 0 EIAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(N)ccc1F ZINC000019736647 212059668 /nfs/dbraw/zinc/05/96/68/212059668.db2.gz OXOPDRBQDMJXSD-GFCCVEGCSA-N 0 0 330.403 4.111 50 0 EIAARN Clc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019536826 212039719 /nfs/dbraw/zinc/03/97/19/212039719.db2.gz MGBRYJYHSDUUQZ-QPJJXVBHSA-N 0 0 326.871 4.171 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)c1cc(N)ccc1Cl ZINC000019403534 212025988 /nfs/dbraw/zinc/02/59/88/212025988.db2.gz NPLSGBXNKAKZPW-UHFFFAOYSA-N 0 0 339.620 4.245 50 0 EIAARN COc1ccc(OC(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000019358370 212021082 /nfs/dbraw/zinc/02/10/82/212021082.db2.gz OZMZPVJNTWXVMZ-UHFFFAOYSA-N 0 0 331.418 4.028 50 0 EIAARN COc1ccc(Oc2ccc(CNCc3ccccc3F)cn2)cc1 ZINC000047720086 213866760 /nfs/dbraw/zinc/86/67/60/213866760.db2.gz JUGJORNEZXAPGV-UHFFFAOYSA-N 0 0 338.382 4.311 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCCC1 ZINC000048738143 213960554 /nfs/dbraw/zinc/96/05/54/213960554.db2.gz IFJBQNIYRGCYHW-UHFFFAOYSA-N 0 0 338.411 4.267 50 0 EIAARN CCC[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1 ZINC000049580935 214020432 /nfs/dbraw/zinc/02/04/32/214020432.db2.gz YLVRXFAZJKATJO-INIZCTEOSA-N 0 0 341.842 4.208 50 0 EIAARN c1ccc(CN2CCN(Cc3ccccc3)C2c2cccnc2)cc1 ZINC000019228628 212007106 /nfs/dbraw/zinc/00/71/06/212007106.db2.gz 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/nfs/dbraw/zinc/90/98/27/211909827.db2.gz RUIYLTREZKTITH-LJQANCHMSA-N 0 0 335.451 4.399 50 0 EIAARN COc1ccc2[nH]cc(CC(=O)N3CCC[C@H](CC(C)C)C3)c2c1 ZINC000079104732 217194484 /nfs/dbraw/zinc/19/44/84/217194484.db2.gz SEDGBMKIQFSBMW-OAHLLOKOSA-N 0 0 328.456 4.004 50 0 EIAARN CCc1n[nH]c(=O)c(-c2nc(-c3cc(F)ccc3F)cs2)c1CC ZINC000079108465 217195965 /nfs/dbraw/zinc/19/59/65/217195965.db2.gz SVSRDNDXCUZFTP-UHFFFAOYSA-N 0 0 347.390 4.376 50 0 EIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000079112715 217196315 /nfs/dbraw/zinc/19/63/15/217196315.db2.gz YNNOSMOXHOBFKK-KRWDZBQOSA-N 0 0 348.368 4.422 50 0 EIAARN Cc1cc(C)c(NC(=O)c2cc(=O)[nH]c3ccccc32)c(Cl)c1 ZINC000016050994 211879740 /nfs/dbraw/zinc/87/97/40/211879740.db2.gz MKXHWDCODCGKDM-UHFFFAOYSA-N 0 0 326.783 4.051 50 0 EIAARN Cc1cccc(Cn2cc(C(=O)Nc3cc(C)ccc3C)ccc2=O)c1 ZINC000015883088 211867547 /nfs/dbraw/zinc/86/75/47/211867547.db2.gz MAABKAATBJVWLC-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN COCCn1cc(CCC(=O)NC2CCCCCC2)c2ccccc21 ZINC000079481474 217231523 /nfs/dbraw/zinc/23/15/23/217231523.db2.gz MTFKZTRVMBBIMI-UHFFFAOYSA-N 0 0 342.483 4.059 50 0 EIAARN Cc1ccc(-c2nc(CNC(=O)c3ccc(F)cc3)cs2)cc1 ZINC000015832479 211857349 /nfs/dbraw/zinc/85/73/49/211857349.db2.gz OQWXEWMCLKDJKV-UHFFFAOYSA-N 0 0 326.396 4.188 50 0 EIAARN O=C(CSc1nccn1C1CCCCC1)Nc1cccc(F)c1 ZINC000015825320 211856781 /nfs/dbraw/zinc/85/67/81/211856781.db2.gz CACSVJOFRUTRDN-UHFFFAOYSA-N 0 0 333.432 4.258 50 0 EIAARN Cc1ccc(-c2ccnc(SCC(=O)Nc3ccccc3)n2)cc1C ZINC000015829373 211856470 /nfs/dbraw/zinc/85/64/70/211856470.db2.gz CSEHJZSMHCQHGH-UHFFFAOYSA-N 0 0 349.459 4.491 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)c(OC)c1 ZINC000015837665 211859623 /nfs/dbraw/zinc/85/96/23/211859623.db2.gz YSHVROUBDMNMNQ-AWEZNQCLSA-N 0 0 332.425 4.134 50 0 EIAARN CCCCOc1ccccc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000015669716 211838851 /nfs/dbraw/zinc/83/88/51/211838851.db2.gz RZJPIEGNCDWSAY-UHFFFAOYSA-N 0 0 330.453 4.453 50 0 EIAARN Cc1nc(-c2ccccc2)c(C(=O)Nc2nc3c(s2)CCC3)s1 ZINC000015637058 211836475 /nfs/dbraw/zinc/83/64/75/211836475.db2.gz ZINBKIAOVQGSAY-UHFFFAOYSA-N 0 0 341.461 4.316 50 0 EIAARN Cc1ccc(Sc2nsc(NC(=O)c3ccccc3)n2)cc1 ZINC000080343693 217299267 /nfs/dbraw/zinc/29/92/67/217299267.db2.gz MUWXPGXCROEPLM-UHFFFAOYSA-N 0 0 327.434 4.250 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000080345262 217299383 /nfs/dbraw/zinc/29/93/83/217299383.db2.gz MWMQZXLBQXQFBQ-KBPBESRZSA-N 0 0 343.810 4.162 50 0 EIAARN COc1ccc(-c2cccc3c(OC)c4c(c(OC)c23)OCO4)cc1 ZINC000015085409 211801478 /nfs/dbraw/zinc/80/14/78/211801478.db2.gz VVHOJDNNAPVOEA-UHFFFAOYSA-N 0 0 338.359 4.261 50 0 EIAARN CN(C[C@@H]1O[C@@H]2CCCC[C@@H]2c2sccc21)C(=O)c1ccco1 ZINC000015024442 211791302 /nfs/dbraw/zinc/79/13/02/211791302.db2.gz WQYRCQUADIFDJU-BJJXKVORSA-N 0 0 331.437 4.211 50 0 EIAARN CCN1c2ccccc2[C@H](Cc2cc(OC)c(OC)cc2Cl)C1=O ZINC000015018205 211789831 /nfs/dbraw/zinc/78/98/31/211789831.db2.gz XICYBXTXPTUORA-AWEZNQCLSA-N 0 0 345.826 4.050 50 0 EIAARN CCCCNC(=O)c1sc(-n2nc(C)c(CCCC)c2C)nc1C ZINC000014608826 211747835 /nfs/dbraw/zinc/74/78/35/211747835.db2.gz REZZFHLUBPFSGZ-UHFFFAOYSA-N 0 0 348.516 4.127 50 0 EIAARN O=C(/C=C/c1cccs1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000014196955 211708130 /nfs/dbraw/zinc/70/81/30/211708130.db2.gz BZSRRCVUHCCOOJ-BQYQJAHWSA-N 0 0 338.432 4.309 50 0 EIAARN C[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)c2ccccc2S1 ZINC000014166532 211698749 /nfs/dbraw/zinc/69/87/49/211698749.db2.gz ZPALBKXUWPXLLC-CYBMUJFWSA-N 0 0 335.432 4.161 50 0 EIAARN CN(C)[C@H](CNc1ncnc2ccsc21)c1ccccc1Cl ZINC000014123775 211686851 /nfs/dbraw/zinc/68/68/51/211686851.db2.gz FBLVADMIRHDNKC-CQSZACIVSA-N 0 0 332.860 4.060 50 0 EIAARN O=C(c1ccccc1)C1CCN(Cc2nc3ccccc3s2)CC1 ZINC000014110428 211684354 /nfs/dbraw/zinc/68/43/54/211684354.db2.gz LVLYMVMZEQHIBD-UHFFFAOYSA-N 0 0 336.460 4.391 50 0 EIAARN CN(Cc1ccncc1)c1nc(-c2ccsc2)nc2ccccc21 ZINC000083865663 217561012 /nfs/dbraw/zinc/56/10/12/217561012.db2.gz JJZZASCQBXJOLH-UHFFFAOYSA-N 0 0 332.432 4.390 50 0 EIAARN CC(=O)NCc1ccc(-c2nc(-c3cccc(F)c3)sc2C)o1 ZINC000014103261 211682468 /nfs/dbraw/zinc/68/24/68/211682468.db2.gz MJNZPMLFRYXPOA-UHFFFAOYSA-N 0 0 330.384 4.154 50 0 EIAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C)o1 ZINC000014093690 211679625 /nfs/dbraw/zinc/67/96/25/211679625.db2.gz DRXIYHDTICJJFS-GFCCVEGCSA-N 0 0 343.408 4.066 50 0 EIAARN Cc1cccc(-c2nnc3sc(COc4ccccc4C)nn32)c1 ZINC000013945099 211659184 /nfs/dbraw/zinc/65/91/84/211659184.db2.gz YZRBJNMQHZKGRH-UHFFFAOYSA-N 0 0 336.420 4.049 50 0 EIAARN CCCCC1CCC(NC(=O)c2csc(-c3cnn(C)c3)n2)CC1 ZINC000084742981 217641206 /nfs/dbraw/zinc/64/12/06/217641206.db2.gz RPDAUAGYGKSAQE-UHFFFAOYSA-N 0 0 346.500 4.022 50 0 EIAARN C[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)s1 ZINC000013745064 211630611 /nfs/dbraw/zinc/63/06/11/211630611.db2.gz HJULTMIQQUKODZ-SECBINFHSA-N 0 0 338.816 4.055 50 0 EIAARN COc1cccc(-c2nn3c(nnc3-c3cc4ccccc4[nH]3)s2)c1 ZINC000013729224 211623152 /nfs/dbraw/zinc/62/31/52/211623152.db2.gz JMLUKYPZTJZFKB-UHFFFAOYSA-N 0 0 347.403 4.010 50 0 EIAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccco1 ZINC000085471025 217672422 /nfs/dbraw/zinc/67/24/22/217672422.db2.gz BKRRDOMSVZYGAS-UHFFFAOYSA-N 0 0 332.812 4.295 50 0 EIAARN Cc1ccc(O)c(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)c1 ZINC000013693219 211613794 /nfs/dbraw/zinc/61/37/94/211613794.db2.gz MBISOAIGXFINJA-UHFFFAOYSA-N 0 0 349.415 4.353 50 0 EIAARN Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000013495235 211568325 /nfs/dbraw/zinc/56/83/25/211568325.db2.gz QTACCAOLRALORM-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN CCc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)n2ncnc2n1 ZINC000013365068 211551533 /nfs/dbraw/zinc/55/15/33/211551533.db2.gz BWZYZAADIGDVAP-UHFFFAOYSA-N 0 0 341.724 4.103 50 0 EIAARN CN(C(=O)Cc1cccnc1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000089310253 217785279 /nfs/dbraw/zinc/78/52/79/217785279.db2.gz LBJVBKPUZJKWKL-HNNXBMFYSA-N 0 0 342.748 4.040 50 0 EIAARN CN(Cc1ncc(C2CC2)o1)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000089364911 217789358 /nfs/dbraw/zinc/78/93/58/217789358.db2.gz RPIOQJKVFPTEEZ-UHFFFAOYSA-N 0 0 349.390 4.012 50 0 EIAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000013124763 211524714 /nfs/dbraw/zinc/52/47/14/211524714.db2.gz BAIZGCLOUWAISR-JKSUJKDBSA-N 0 0 340.814 4.086 50 0 EIAARN COc1ccc([C@@H]2C3CCCc4ccccc4C3=Nc3ncnn32)cc1 ZINC000013124385 211524169 /nfs/dbraw/zinc/52/41/69/211524169.db2.gz CDRIVDZETXIUJQ-HXUWFJFHSA-N 0 0 344.418 4.049 50 0 EIAARN CC(C)C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000012999016 211506065 /nfs/dbraw/zinc/50/60/65/211506065.db2.gz CKUOJMYQLZHPSK-SFHVURJKSA-N 0 0 339.435 4.252 50 0 EIAARN CCOc1ccc(C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)cc1 ZINC000012989355 211501270 /nfs/dbraw/zinc/50/12/70/211501270.db2.gz VXSBNFSISICIRR-CYBMUJFWSA-N 0 0 341.407 4.060 50 0 EIAARN CC(=O)Nc1cc(NC(=O)Nc2ccc3nc(C)oc3c2)ccc1C ZINC000089644309 217823575 /nfs/dbraw/zinc/82/35/75/217823575.db2.gz XUUTUISYBXYYOY-UHFFFAOYSA-N 0 0 338.367 4.047 50 0 EIAARN CCc1ccc([C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C(C)C)cc1 ZINC000012981676 211498145 /nfs/dbraw/zinc/49/81/45/211498145.db2.gz CELPHEWNUJJVSS-FQEVSTJZSA-N 0 0 348.446 4.218 50 0 EIAARN Cc1ccn2cc(C(=O)N3CC[C@@H](C)Sc4ccccc43)nc2c1 ZINC000089700858 217828606 /nfs/dbraw/zinc/82/86/06/217828606.db2.gz KKXVKRSOLNCQKO-CQSZACIVSA-N 0 0 337.448 4.174 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)c1cc2cnn(C(C)C)c2nc1C ZINC000012943725 211489786 /nfs/dbraw/zinc/48/97/86/211489786.db2.gz VHBGRLWCFYOJGE-AWEZNQCLSA-N 0 0 336.439 4.120 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000012936984 211487455 /nfs/dbraw/zinc/48/74/55/211487455.db2.gz DOYAQAULZXGCTJ-UHFFFAOYSA-N 0 0 342.826 4.023 50 0 EIAARN CCCc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)on1 ZINC000012918650 211482288 /nfs/dbraw/zinc/48/22/88/211482288.db2.gz VYWOKCCCXGBZQD-UHFFFAOYSA-N 0 0 336.819 4.387 50 0 EIAARN CC[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(C)cc1 ZINC000012909459 211479530 /nfs/dbraw/zinc/47/95/30/211479530.db2.gz SKIZQXBXFZWIBA-GOSISDBHSA-N 0 0 336.439 4.202 50 0 EIAARN O=C(Nc1ccc(F)cc1F)N[C@H]1CCSc2ccc(F)cc21 ZINC000012852688 211469656 /nfs/dbraw/zinc/46/96/56/211469656.db2.gz ATHUBQABQBPOTJ-ZDUSSCGKSA-N 0 0 338.354 4.463 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2SC(F)F)cc1 ZINC000012805036 211461386 /nfs/dbraw/zinc/46/13/86/211461386.db2.gz GRTSDONCHSVNME-UHFFFAOYSA-N 0 0 336.363 4.212 50 0 EIAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(F)cc1F ZINC000012792646 211458376 /nfs/dbraw/zinc/45/83/76/211458376.db2.gz NBRGNHHVXJZUEX-UHFFFAOYSA-N 0 0 336.388 4.331 50 0 EIAARN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 ZINC000012792076 211457532 /nfs/dbraw/zinc/45/75/32/211457532.db2.gz GNPKKJWREUJYIH-HNNXBMFYSA-N 0 0 325.408 4.166 50 0 EIAARN O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000012746505 211443629 /nfs/dbraw/zinc/44/36/29/211443629.db2.gz LLALBILGDOVHAF-UHFFFAOYSA-N 0 0 332.190 4.431 50 0 EIAARN CCOc1cc2c(cc1CNC(=O)Nc1ccc(C)cc1)O[C@@H](C)C2 ZINC000012782632 211455248 /nfs/dbraw/zinc/45/52/48/211455248.db2.gz BWERRYSRTQFELI-AWEZNQCLSA-N 0 0 340.423 4.039 50 0 EIAARN CC[C@@H](C)[C@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000012780259 211454213 /nfs/dbraw/zinc/45/42/13/211454213.db2.gz JLRHRXMBQHEXMX-KUHUBIRLSA-N 0 0 327.424 4.472 50 0 EIAARN O=C(Nc1ccccc1F)c1csc(COc2ccc(F)cc2)n1 ZINC000012774046 211452453 /nfs/dbraw/zinc/45/24/53/211452453.db2.gz ULZCDMIKKUAUEN-UHFFFAOYSA-N 0 0 346.358 4.253 50 0 EIAARN Cc1cccc(C(=O)NCCC(=O)Nc2ccccc2C(C)(C)C)c1 ZINC000012771428 211450755 /nfs/dbraw/zinc/45/07/55/211450755.db2.gz IYTWVGIYWJWZKC-UHFFFAOYSA-N 0 0 338.451 4.051 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(F)c2)cc1 ZINC000012761087 211448362 /nfs/dbraw/zinc/44/83/62/211448362.db2.gz NKEXOWIUVSHQKJ-UBIUBJKMSA-N 0 0 325.383 4.211 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)NCc1cccc(Cl)c1 ZINC000012756288 211447293 /nfs/dbraw/zinc/44/72/93/211447293.db2.gz QNMXLKZTOUUSGP-UHFFFAOYSA-N 0 0 340.810 4.244 50 0 EIAARN Cn1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c2ccccc21 ZINC000012561866 211410881 /nfs/dbraw/zinc/41/08/81/211410881.db2.gz XGTUNWWEKNOHMX-MRXNPFEDSA-N 0 0 340.423 4.284 50 0 EIAARN Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1C ZINC000012435244 211379044 /nfs/dbraw/zinc/37/90/44/211379044.db2.gz YXSNMOIIPOPFEK-QGZVFWFLSA-N 0 0 344.405 4.298 50 0 EIAARN O=C(Nc1ccccc1N1CCCCCC1)[C@@H]1Cc2ccccc2O1 ZINC000012527737 211399389 /nfs/dbraw/zinc/39/93/89/211399389.db2.gz CMCBDHSYERSKDG-FQEVSTJZSA-N 0 0 336.435 4.009 50 0 EIAARN CC(C)Cc1noc(Cn2c3ccccc3nc2SC(C)C)n1 ZINC000012525361 211399011 /nfs/dbraw/zinc/39/90/11/211399011.db2.gz WZRDRLIOROUDQR-UHFFFAOYSA-N 0 0 330.457 4.167 50 0 EIAARN C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)cc1Cl ZINC000012520204 211397969 /nfs/dbraw/zinc/39/79/69/211397969.db2.gz KFANLEDAYCGQJH-VIFPVBQESA-N 0 0 334.206 4.361 50 0 EIAARN CC(C)CCSc1nc2ccccc2n1CC(=O)NC(C)(C)C ZINC000012520075 211395888 /nfs/dbraw/zinc/39/58/88/211395888.db2.gz RMGTVDHXKHBLRF-UHFFFAOYSA-N 0 0 333.501 4.089 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)c1cccc(Oc2ccccc2)c1 ZINC000012499736 211393705 /nfs/dbraw/zinc/39/37/05/211393705.db2.gz OVVSJKYDGNJJAW-UHFFFAOYSA-N 0 0 329.359 4.029 50 0 EIAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=N)cc1C ZINC000012462256 211388980 /nfs/dbraw/zinc/38/89/80/211388980.db2.gz DBFLNQNOYXACHW-UHFFFAOYSA-N 0 0 326.783 4.435 50 0 biogenic,in-vitro EIAARN Cc1occc1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 ZINC000012448384 211386358 /nfs/dbraw/zinc/38/63/58/211386358.db2.gz OAXKMAFSEFXUMH-SFHVURJKSA-N 0 0 326.440 4.428 50 0 EIAARN Cc1ccccc1[C@H](CC(=O)N(C)Cc1ccon1)c1ccccc1 ZINC000012432535 211379621 /nfs/dbraw/zinc/37/96/21/211379621.db2.gz RQGAHEMIOTXIDK-HXUWFJFHSA-N 0 0 334.419 4.164 50 0 EIAARN O=C(C[C@H](c1ccccc1)c1ccccc1F)NCCc1cccnc1 ZINC000012432385 211379378 /nfs/dbraw/zinc/37/93/78/211379378.db2.gz LCARZSGRRNEDCF-HXUWFJFHSA-N 0 0 348.421 4.102 50 0 EIAARN Cc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3F)no2)cc1 ZINC000012422160 211375744 /nfs/dbraw/zinc/37/57/44/211375744.db2.gz KNHMHGVDPJNRLV-UHFFFAOYSA-N 0 0 346.308 4.249 50 0 EIAARN COc1ccc(-c2cc(-c3nc(-c4cccc(C)c4)no3)n[nH]2)cc1 ZINC000012415205 211373931 /nfs/dbraw/zinc/37/39/31/211373931.db2.gz OSPXXHOIIJVAOS-UHFFFAOYSA-N 0 0 332.363 4.111 50 0 EIAARN COC(=O)c1ccccc1SCc1ccc(O)c2ncccc12 ZINC000012417884 211373275 /nfs/dbraw/zinc/37/32/75/211373275.db2.gz YQIUXHZXMUZZAQ-UHFFFAOYSA-N 0 0 325.389 4.019 50 0 EIAARN C[C@H](c1cccs1)N(C)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000089910144 217880623 /nfs/dbraw/zinc/88/06/23/217880623.db2.gz XNPOEYJMVYDXPL-ZIAGYGMSSA-N 0 0 346.452 4.141 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000012380809 211361835 /nfs/dbraw/zinc/36/18/35/211361835.db2.gz QRBBTQVVJVLDPR-AWEZNQCLSA-N 0 0 348.402 4.204 50 0 EIAARN CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3cccnc3)sc2C1 ZINC000089950011 217895277 /nfs/dbraw/zinc/89/52/77/217895277.db2.gz UJUNZKSXDGBDCI-BPLDGKMQSA-N 0 0 341.480 4.185 50 0 EIAARN Cc1c2cccc(F)c2oc1C(=O)NCc1ccc2ccccc2n1 ZINC000012315909 211344496 /nfs/dbraw/zinc/34/44/96/211344496.db2.gz PSADPKJDWZUVMS-UHFFFAOYSA-N 0 0 334.350 4.359 50 0 EIAARN Cc1cccnc1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1F ZINC000012308296 211341538 /nfs/dbraw/zinc/34/15/38/211341538.db2.gz NZJNCQJORWNFIY-IBGZPJMESA-N 0 0 348.421 4.368 50 0 EIAARN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)cc1 ZINC000012308737 211341565 /nfs/dbraw/zinc/34/15/65/211341565.db2.gz UXBIFDGIJPQITP-JNCYCUAHSA-N 0 0 349.478 4.321 50 0 EIAARN CCC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012283688 211333991 /nfs/dbraw/zinc/33/39/91/211333991.db2.gz GVKMDXMZINVNCF-CYBMUJFWSA-N 0 0 349.352 4.202 50 0 EIAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c1 ZINC000012299828 211337725 /nfs/dbraw/zinc/33/77/25/211337725.db2.gz VSQLXOHWYRWRCV-JOCHJYFZSA-N 0 0 342.446 4.347 50 0 EIAARN NC(=O)[C@H](Sc1ncc(-c2ccccc2)n1C1CC1)c1ccccc1 ZINC000012189190 211316281 /nfs/dbraw/zinc/31/62/81/211316281.db2.gz JIBYMWIBIPUAOY-GOSISDBHSA-N 0 0 349.459 4.204 50 0 EIAARN O=C(C[C@H](c1cccc(O)c1)c1ccccc1O)NC1CCCCC1 ZINC000012193609 211315642 /nfs/dbraw/zinc/31/56/42/211315642.db2.gz HIHBUXHTWXOKOO-LJQANCHMSA-N 0 0 339.435 4.069 50 0 EIAARN Cc1ccc(-c2cncnc2[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 ZINC000012190512 211314956 /nfs/dbraw/zinc/31/49/56/211314956.db2.gz MWZJFCGTYNIBMY-QGZVFWFLSA-N 0 0 347.418 4.065 50 0 EIAARN CSc1ncccc1C(=O)N(Cc1ccoc1)Cc1cccs1 ZINC000090612133 217945012 /nfs/dbraw/zinc/94/50/12/217945012.db2.gz QEAYORMTWMPGOG-UHFFFAOYSA-N 0 0 344.461 4.301 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000012138457 211303099 /nfs/dbraw/zinc/30/30/99/211303099.db2.gz YBRQJAUQPWPCGN-CYBMUJFWSA-N 0 0 344.842 4.050 50 0 EIAARN CCOc1cccc(NC(=O)COc2ccc(Cl)c(C)c2C)c1 ZINC000012138062 211301406 /nfs/dbraw/zinc/30/14/06/211301406.db2.gz DBYCFJXZUZRQPW-UHFFFAOYSA-N 0 0 333.815 4.373 50 0 EIAARN CC(C)C[C@@H](O)c1ccc2c(c1)CN(Cc1ccccc1F)CCO2 ZINC000012100307 211290997 /nfs/dbraw/zinc/29/09/97/211290997.db2.gz LKCDGSLARWWGNJ-HXUWFJFHSA-N 0 0 343.442 4.300 50 0 EIAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000012062892 211284898 /nfs/dbraw/zinc/28/48/98/211284898.db2.gz USECCWUQYLIWIU-GOSISDBHSA-N 0 0 333.387 4.057 50 0 EIAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N1CCC[C@@H](CCCO)C1 ZINC000012058392 211284124 /nfs/dbraw/zinc/28/41/24/211284124.db2.gz UMIBJQWESSRFNZ-AWEZNQCLSA-N 0 0 349.858 4.328 50 0 EIAARN Cc1ccc(NC(=O)CSc2cc(-c3ccccc3)ncn2)cc1C ZINC000012016690 211279802 /nfs/dbraw/zinc/27/98/02/211279802.db2.gz ATKRBAUEZYQAMS-UHFFFAOYSA-N 0 0 349.459 4.491 50 0 EIAARN CC1(C)C[C@](CCNc2nnc(C3CC3)o2)(c2ccccc2)CCO1 ZINC000091440471 218005997 /nfs/dbraw/zinc/00/59/97/218005997.db2.gz GAWIQWAXIMOYEY-HXUWFJFHSA-N 0 0 341.455 4.276 50 0 EIAARN COc1ccc(C(=O)N(Cc2ccc(C)cc2)c2ccccn2)cc1 ZINC000011914633 211268644 /nfs/dbraw/zinc/26/86/44/211268644.db2.gz NBOOXFIZNTYQMQ-UHFFFAOYSA-N 0 0 332.403 4.246 50 0 EIAARN CCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 ZINC000011914981 211267978 /nfs/dbraw/zinc/26/79/78/211267978.db2.gz GLKRLHLNQPIXHB-UHFFFAOYSA-N 0 0 339.420 4.246 50 0 EIAARN CCCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000011916676 211267191 /nfs/dbraw/zinc/26/71/91/211267191.db2.gz 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/nfs/dbraw/zinc/05/78/48/211057848.db2.gz HQFXYFAHOMEGPM-UHFFFAOYSA-N 0 0 335.451 4.186 50 0 EIAARN O=C(c1noc2c1CCCCC2)N(Cc1ccco1)C1CCCC1 ZINC000009227037 211055131 /nfs/dbraw/zinc/05/51/31/211055131.db2.gz JDKBAKRWEYLKHV-UHFFFAOYSA-N 0 0 328.412 4.122 50 0 EIAARN CN(C)C(=O)[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000009217433 211053416 /nfs/dbraw/zinc/05/34/16/211053416.db2.gz WUPMUZBCHHXGNV-HNNXBMFYSA-N 0 0 345.855 4.138 50 0 EIAARN O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1ccccc1F ZINC000009218353 211052892 /nfs/dbraw/zinc/05/28/92/211052892.db2.gz POMLZQAOPPKRPQ-UHFFFAOYSA-N 0 0 326.293 4.209 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000009229955 211057016 /nfs/dbraw/zinc/05/70/16/211057016.db2.gz YOQNFMBUHKZVGG-OAHLLOKOSA-N 0 0 340.423 4.140 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(O[C@@H](C)CC)cc2)c1 ZINC000009230946 211056789 /nfs/dbraw/zinc/05/67/89/211056789.db2.gz KXDGPFDACRYLRL-AWEZNQCLSA-N 0 0 340.423 4.465 50 0 EIAARN C[C@H]1S[C@H](c2ccccc2)N(c2nc3ccccc3s2)C1=O ZINC000009227215 211055333 /nfs/dbraw/zinc/05/53/33/211055333.db2.gz GCGRKQMTLZEACL-BDJLRTHQSA-N 0 0 326.446 4.463 50 0 EIAARN O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cc2ccccc2o1 ZINC000009170190 211048522 /nfs/dbraw/zinc/04/85/22/211048522.db2.gz ZYEKGDHDVRWBLX-UHFFFAOYSA-N 0 0 345.314 4.481 50 0 EIAARN CCCCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 ZINC000009166133 211048358 /nfs/dbraw/zinc/04/83/58/211048358.db2.gz BUVYZAXUYZGRLE-UHFFFAOYSA-N 0 0 328.441 4.231 50 0 EIAARN CCN1c2ccccc2Oc2ccc(NC(=O)c3ccco3)cc2C1=O ZINC000009134652 211043591 /nfs/dbraw/zinc/04/35/91/211043591.db2.gz JREULWZLYBOELO-UHFFFAOYSA-N 0 0 348.358 4.304 50 0 EIAARN O=C(c1cccc(Cl)c1)[C@@H]1CCCN(c2nnc(C3CCC3)o2)C1 ZINC000095359978 218292839 /nfs/dbraw/zinc/29/28/39/218292839.db2.gz SYLVJJGGZOUAEX-CQSZACIVSA-N 0 0 345.830 4.090 50 0 EIAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](c1cccs1)C2 ZINC000009096279 211040324 /nfs/dbraw/zinc/04/03/24/211040324.db2.gz UGTTZAKHMFHZCR-GFCCVEGCSA-N 0 0 348.431 4.031 50 0 EIAARN O=C(Nc1nnc(-c2ccco2)s1)c1ccc(Cl)c(Cl)c1 ZINC000009109523 211040058 /nfs/dbraw/zinc/04/00/58/211040058.db2.gz IDZCPVPOHLSPRH-UHFFFAOYSA-N 0 0 340.191 4.357 50 0 EIAARN C[C@H]1CCCC[C@H]1OCCNc1nn2cc(C(C)(C)C)nc2s1 ZINC000095356625 218290755 /nfs/dbraw/zinc/29/07/55/218290755.db2.gz KKISLHSVAZUMFC-QWHCGFSZSA-N 0 0 336.505 4.096 50 0 EIAARN Cc1ccc(C)c([C@@H](c2cccnc2)n2cc(-c3nccs3)nn2)c1 ZINC000095358081 218292107 /nfs/dbraw/zinc/29/21/07/218292107.db2.gz ZIAQVLSQWHNOCG-GOSISDBHSA-N 0 0 347.447 4.051 50 0 EIAARN Cc1nnc(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000009027060 211031388 /nfs/dbraw/zinc/03/13/88/211031388.db2.gz LUJRGWSVSCHHMU-HNNXBMFYSA-N 0 0 347.509 4.129 50 0 EIAARN O=C(NCCc1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000009053458 211036304 /nfs/dbraw/zinc/03/63/04/211036304.db2.gz QASQGQATMWJWDS-UHFFFAOYSA-N 0 0 347.443 4.060 50 0 EIAARN CC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000009050242 211034711 /nfs/dbraw/zinc/03/47/11/211034711.db2.gz CYWNARCXMJMNNW-OAHLLOKOSA-N 0 0 349.434 4.076 50 0 EIAARN Fc1cccc(-c2nnc3sc(CCCc4ccccc4)nn32)c1 ZINC000009048507 211034487 /nfs/dbraw/zinc/03/44/87/211034487.db2.gz LLFSKZNUTLPYOS-UHFFFAOYSA-N 0 0 338.411 4.167 50 0 EIAARN Fc1cc(Br)ccc1CNc1ccn(-c2ccccc2)n1 ZINC000095365082 218298204 /nfs/dbraw/zinc/29/82/04/218298204.db2.gz HDCIRRRGWDHWMZ-UHFFFAOYSA-N 0 0 346.203 4.386 50 0 EIAARN CCc1sc2nc(NCc3ccccc3)n3nc(C)nc3c2c1C ZINC000008990318 211028949 /nfs/dbraw/zinc/02/89/49/211028949.db2.gz URCLRRCMHKKOFC-UHFFFAOYSA-N 0 0 337.452 4.130 50 0 EIAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)C4CC4)cc3c2C)cc1 ZINC000008991150 211028833 /nfs/dbraw/zinc/02/88/33/211028833.db2.gz VXOPQZWZYVVHQW-UHFFFAOYSA-N 0 0 349.386 4.329 50 0 EIAARN Fc1ccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn32)cc1 ZINC000008990874 211028548 /nfs/dbraw/zinc/02/85/48/211028548.db2.gz UBEAJADGVPQDRB-UHFFFAOYSA-N 0 0 335.367 4.140 50 0 EIAARN CCc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)s1 ZINC000008986787 211027480 /nfs/dbraw/zinc/02/74/80/211027480.db2.gz OAIPKYLLPZNQMY-UHFFFAOYSA-N 0 0 333.438 4.291 50 0 EIAARN CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000095377276 218310429 /nfs/dbraw/zinc/31/04/29/218310429.db2.gz NMQINKIFEAVHBM-GOSISDBHSA-N 0 0 348.450 4.032 50 0 EIAARN Cc1c(C[NH2+]C2CCCC2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000008932481 211020499 /nfs/dbraw/zinc/02/04/99/211020499.db2.gz KEHISGPOGYGBHP-UHFFFAOYSA-N 0 0 344.430 4.023 50 0 EIAARN CCOc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000008917001 211018515 /nfs/dbraw/zinc/01/85/15/211018515.db2.gz JQXYHFMNHYNUMT-UHFFFAOYSA-N 0 0 343.770 4.041 50 0 EIAARN Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)on2)cc1 ZINC000008915201 211017838 /nfs/dbraw/zinc/01/78/38/211017838.db2.gz MGDNCRJXWKLKJB-CYBMUJFWSA-N 0 0 340.354 4.195 50 0 EIAARN C[C@H](c1nnc(NC(=O)c2ccc(F)cc2)s1)c1ccccc1 ZINC000008913935 211017210 /nfs/dbraw/zinc/01/72/10/211017210.db2.gz GHXDIHGPINBETL-NSHDSACASA-N 0 0 327.384 4.081 50 0 EIAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000095381710 218313757 /nfs/dbraw/zinc/31/37/57/218313757.db2.gz NZRUSEYMSRVDCX-RYUDHWBXSA-N 0 0 338.329 4.107 50 0 EIAARN CC(C)OCc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000008914040 211016633 /nfs/dbraw/zinc/01/66/33/211016633.db2.gz UCIAEKVNXONDRD-UHFFFAOYSA-N 0 0 338.451 4.120 50 0 EIAARN CC(C)CN1c2ccc(NC(=O)C(C)(C)C)cc2OCC(C)(C)C1=O ZINC000008959035 211022332 /nfs/dbraw/zinc/02/23/32/211022332.db2.gz NPBXKPMSVZPGEX-UHFFFAOYSA-N 0 0 346.471 4.079 50 0 EIAARN COc1cc(C)ccc1OCCSc1nnc(-c2cccs2)o1 ZINC000008830972 211009591 /nfs/dbraw/zinc/00/95/91/211009591.db2.gz CXGUQLHVLTZEPU-UHFFFAOYSA-N 0 0 348.449 4.286 50 0 EIAARN Cc1ccc2oc(C(=O)Nc3ccc(Br)c(C)c3)cc2n1 ZINC000008798723 211008051 /nfs/dbraw/zinc/00/80/51/211008051.db2.gz BUAUYGXUPGEYAP-UHFFFAOYSA-N 0 0 345.196 4.459 50 0 EIAARN CSc1nnc(SCC(=O)c2ccc3ccccc3c2)s1 ZINC000008878543 211014048 /nfs/dbraw/zinc/01/40/48/211014048.db2.gz RIVOKACETMZSKX-UHFFFAOYSA-N 0 0 332.475 4.388 50 0 EIAARN Cc1noc(C)c1CC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000008776659 211004914 /nfs/dbraw/zinc/00/49/14/211004914.db2.gz PBECZUYUYPMGRQ-SSDOTTSWSA-N 0 0 345.201 4.157 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCCc2ccccc21 ZINC000008769888 211004020 /nfs/dbraw/zinc/00/40/20/211004020.db2.gz QGSMJSWWUPXXPA-UHFFFAOYSA-N 0 0 349.459 4.148 50 0 EIAARN Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000008754095 211001392 /nfs/dbraw/zinc/00/13/92/211001392.db2.gz BPOHKINPKBBADN-NSHDSACASA-N 0 0 341.238 4.354 50 0 EIAARN C/C=C/c1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)c(OC)c1 ZINC000008754812 211000988 /nfs/dbraw/zinc/00/09/88/211000988.db2.gz MIULUNSRAJKHJW-HWKANZROSA-N 0 0 337.419 4.235 50 0 EIAARN O=C(NCCc1cccs1)c1ccccc1C(=O)c1cccs1 ZINC000008755577 211001111 /nfs/dbraw/zinc/00/11/11/211001111.db2.gz GLKFJWDMYCVUQG-UHFFFAOYSA-N 0 0 341.457 4.013 50 0 EIAARN Cc1ccc(F)c(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000008734503 210994842 /nfs/dbraw/zinc/99/48/42/210994842.db2.gz OCFMSAUOCPIAIY-UHFFFAOYSA-N 0 0 326.396 4.439 50 0 EIAARN Cc1nc(C)c(C(=O)N(c2cccc3cccnc32)C2CCCC2)o1 ZINC000095407160 218343093 /nfs/dbraw/zinc/34/30/93/218343093.db2.gz FYZQPSHCWAXHDW-UHFFFAOYSA-N 0 0 335.407 4.429 50 0 EIAARN Cc1cnc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)s1 ZINC000008707992 210984365 /nfs/dbraw/zinc/98/43/65/210984365.db2.gz FLZFTNDGNOQLNU-UHFFFAOYSA-N 0 0 348.431 4.351 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000095411588 218349325 /nfs/dbraw/zinc/34/93/25/218349325.db2.gz LCSVXLPTTMEVQM-UHFFFAOYSA-N 0 0 347.374 4.276 50 0 EIAARN CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000095412383 218349553 /nfs/dbraw/zinc/34/95/53/218349553.db2.gz FIDXWMYSENYFSC-UHFFFAOYSA-N 0 0 336.357 4.285 50 0 EIAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1c(F)cccc1NC1CC1 ZINC000095413003 218350384 /nfs/dbraw/zinc/35/03/84/218350384.db2.gz DGXQXRROTQTHEL-UHFFFAOYSA-N 0 0 344.361 4.141 50 0 EIAARN CC(C)c1nc(C[S@](=O)c2ncc(C(C)(C)C)s2)cs1 ZINC000095413814 218351724 /nfs/dbraw/zinc/35/17/24/218351724.db2.gz XZTATZKPUCUHDO-HXUWFJFHSA-N 0 0 328.528 4.328 50 0 EIAARN CCOC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(C)n2)cc1 ZINC000008614901 210975365 /nfs/dbraw/zinc/97/53/65/210975365.db2.gz FFAWDDGFCIXZTH-UHFFFAOYSA-N 0 0 333.391 4.372 50 0 EIAARN Fc1cc2cccnc2c(CNCc2coc(-c3ccccc3)n2)c1 ZINC000095415511 218353693 /nfs/dbraw/zinc/35/36/93/218353693.db2.gz ZNCKGAFIGBYSKW-UHFFFAOYSA-N 0 0 333.366 4.319 50 0 EIAARN Cc1cccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)c1 ZINC000008612134 210973481 /nfs/dbraw/zinc/97/34/81/210973481.db2.gz MRUJCXRMJYBPIL-UHFFFAOYSA-N 0 0 332.403 4.002 50 0 EIAARN CCc1nc([C@H](C)Sc2nnc(N)s2)oc1-c1ccccc1 ZINC000095416405 218354687 /nfs/dbraw/zinc/35/46/87/218354687.db2.gz NDSSLHICICXSHQ-VIFPVBQESA-N 0 0 332.454 4.191 50 0 EIAARN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1nc(-c2ccccc2)cs1 ZINC000095420779 218361348 /nfs/dbraw/zinc/36/13/48/218361348.db2.gz AWGYECJCXKDAAG-ZNZDAUKMSA-N 0 0 336.460 4.119 50 0 EIAARN C[C@H](Nc1ccc2nnc(C(F)F)n2n1)c1csc2ccccc21 ZINC000095426261 218368201 /nfs/dbraw/zinc/36/82/01/218368201.db2.gz UBUJHHNLSOYYNT-VIFPVBQESA-N 0 0 345.378 4.450 50 0 EIAARN C[C@@H](Nc1ccc2nnc(C(F)F)n2n1)c1csc2ccccc21 ZINC000095426262 218368270 /nfs/dbraw/zinc/36/82/70/218368270.db2.gz UBUJHHNLSOYYNT-SECBINFHSA-N 0 0 345.378 4.450 50 0 EIAARN COc1cc(NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1 ZINC000008486898 210957330 /nfs/dbraw/zinc/95/73/30/210957330.db2.gz KQEUYBFLAWBPOK-UHFFFAOYSA-N 0 0 337.375 4.118 50 0 EIAARN Cc1nc(NC(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)oc1C ZINC000095428468 218370936 /nfs/dbraw/zinc/37/09/36/218370936.db2.gz YMKPVIMJGRSGLI-QFBILLFUSA-N 0 0 325.412 4.225 50 0 EIAARN COCc1nc(CNc2cccc(-c3nc(C)c(C)o3)c2)cs1 ZINC000095428760 218371177 /nfs/dbraw/zinc/37/11/77/218371177.db2.gz FHTRHKJTXXJXLM-UHFFFAOYSA-N 0 0 329.425 4.173 50 0 EIAARN CCC(CC)n1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)n1 ZINC000095428432 218371296 /nfs/dbraw/zinc/37/12/96/218371296.db2.gz ACZRHTANTFNGNH-UHFFFAOYSA-N 0 0 341.440 4.015 50 0 EIAARN COc1ccccc1CNc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000095429195 218371661 /nfs/dbraw/zinc/37/16/61/218371661.db2.gz LUSIBRXKINSOCN-UHFFFAOYSA-N 0 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Cc1ccc(Cn2cccc(C(=O)Nc3cccc(C)c3C)c2=O)cc1 ZINC000004940400 210330892 /nfs/dbraw/zinc/33/08/92/210330892.db2.gz KDWVTJZLXSIKCG-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Cc1csc(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000004938676 210330223 /nfs/dbraw/zinc/33/02/23/210330223.db2.gz DSHVOXVIDDEFDX-VIFPVBQESA-N 0 0 337.495 4.220 50 0 EIAARN C[C@@H](Oc1ccccc1)c1nn2c(nnc2-c2cccs2)s1 ZINC000004939246 210329385 /nfs/dbraw/zinc/32/93/85/210329385.db2.gz CVJFMODUGGQFPU-SNVBAGLBSA-N 0 0 328.422 4.054 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000000036015 208554061 /nfs/dbraw/zinc/55/40/61/208554061.db2.gz UIMLAYKAXPKOCH-UHFFFAOYSA-N 0 0 338.632 4.075 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1cc(F)c(F)cc1Cl ZINC000000036040 208554288 /nfs/dbraw/zinc/55/42/88/208554288.db2.gz OQLJBEDIGSSOOK-UHFFFAOYSA-N 0 0 347.546 4.028 50 0 EIAARN CCc1ccc(OC(=O)COc2ccc(Br)cc2C)cc1 ZINC000000038625 208554744 /nfs/dbraw/zinc/55/47/44/208554744.db2.gz IYOUXMBBJVVSMD-UHFFFAOYSA-N 0 0 349.224 4.304 50 0 EIAARN COC(=O)c1ccccc1NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000000042752 208555380 /nfs/dbraw/zinc/55/53/80/208555380.db2.gz HFQAPTUIFKOBRP-ZWNOBZJWSA-N 0 0 342.222 4.003 50 0 EIAARN Cc1ccc(-c2nnc(SCC(=O)c3ccccc3F)o2)cc1C ZINC000004914427 210322976 /nfs/dbraw/zinc/32/29/76/210322976.db2.gz YKKBALQQPCYUDU-UHFFFAOYSA-N 0 0 342.395 4.468 50 0 EIAARN CCc1ccc(C(=O)COC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000003512866 208564008 /nfs/dbraw/zinc/56/40/08/208564008.db2.gz UPEZAZPUBMZGCW-UHFFFAOYSA-N 0 0 349.386 4.252 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N(C(C)C)C3CCOCC3)s2)o1 ZINC000097237758 219003665 /nfs/dbraw/zinc/00/36/65/219003665.db2.gz HPDSQRXZAOXSMI-UHFFFAOYSA-N 0 0 333.453 4.346 50 0 EIAARN CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)cc1C ZINC000004870799 210310439 /nfs/dbraw/zinc/31/04/39/210310439.db2.gz RWSKDOITYITDBS-UHFFFAOYSA-N 0 0 334.419 4.088 50 0 EIAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2C)nc1 ZINC000004915831 210322507 /nfs/dbraw/zinc/32/25/07/210322507.db2.gz YMFVMRODIWGALB-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2c2cccnc2)cc1C ZINC000004917548 210322333 /nfs/dbraw/zinc/32/23/33/210322333.db2.gz MLIJIQWDSCVXHY-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN Cc1ccc2cc3cc(C(=O)Nc4ccc5c(c4)OCO5)oc3nc2c1 ZINC000004906231 210319639 /nfs/dbraw/zinc/31/96/39/210319639.db2.gz XCFLQJIZMICNAI-UHFFFAOYSA-N 0 0 346.342 4.270 50 0 EIAARN Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2C)c1 ZINC000004900145 210316226 /nfs/dbraw/zinc/31/62/26/210316226.db2.gz XWNKZVSGZFWTIH-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN O=C(NC1CCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000004852179 210300987 /nfs/dbraw/zinc/30/09/87/210300987.db2.gz RSWRUSMWCJPGHA-UHFFFAOYSA-N 0 0 333.391 4.076 50 0 EIAARN COc1ccccc1C(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C ZINC000004839676 210294832 /nfs/dbraw/zinc/29/48/32/210294832.db2.gz AQYJAJCOIISKME-UHFFFAOYSA-N 0 0 349.434 4.118 50 0 EIAARN Cc1ccc(-c2noc(CN(C(=O)c3ccccc3C)C(C)C)n2)cc1 ZINC000004838521 210293079 /nfs/dbraw/zinc/29/30/79/210293079.db2.gz RNPGGVJKSJCLET-UHFFFAOYSA-N 0 0 349.434 4.404 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccco2)o1 ZINC000004828313 210290889 /nfs/dbraw/zinc/29/08/89/210290889.db2.gz YWCDRRRZNIAYTP-UHFFFAOYSA-N 0 0 339.376 4.094 50 0 EIAARN C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC1CCCC1 ZINC000004826065 210289748 /nfs/dbraw/zinc/28/97/48/210289748.db2.gz ZFUALVLXAUYWAK-SECBINFHSA-N 0 0 340.901 4.489 50 0 EIAARN CCCCNC(=O)c1ccccc1-c1nc(-c2cccc(C)c2)no1 ZINC000004825433 210288547 /nfs/dbraw/zinc/28/85/47/210288547.db2.gz JILSFOOAJKGOII-UHFFFAOYSA-N 0 0 335.407 4.242 50 0 EIAARN Cc1nc2sc3c(ncnc3OC(C)C)c2c2c1COC(C)(C)C2 ZINC000004811806 210283631 /nfs/dbraw/zinc/28/36/31/210283631.db2.gz IUGFWUVLOSPAGL-UHFFFAOYSA-N 0 0 343.452 4.186 50 0 EIAARN O=C(/C=C/c1ccccc1Cl)OCc1nnc(-c2ccccc2)o1 ZINC000004808250 210281596 /nfs/dbraw/zinc/28/15/96/210281596.db2.gz DCLMSCQTPSHQAI-ZHACJKMWSA-N 0 0 340.766 4.147 50 0 EIAARN COc1ccc2[nH]cc(CCNC(=O)CCC3CCCCC3)c2c1 ZINC000004777225 210275508 /nfs/dbraw/zinc/27/55/08/210275508.db2.gz KUHIVXWDPVHRGU-UHFFFAOYSA-N 0 0 328.456 4.196 50 0 biogenic EIAARN CCC[C@H](NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 ZINC000004748777 210269091 /nfs/dbraw/zinc/26/90/91/210269091.db2.gz IBUNETHMWJUQSD-FAKMSMKASA-N 0 0 330.472 4.406 50 0 EIAARN CCC[C@@H](NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 ZINC000004748778 210268853 /nfs/dbraw/zinc/26/88/53/210268853.db2.gz IBUNETHMWJUQSD-VQBCORBOSA-N 0 0 330.472 4.406 50 0 EIAARN Cc1cccn2c(CC(=O)N[C@@H](C)CC(C)(C)c3ccccc3)cnc12 ZINC000097601032 219040137 /nfs/dbraw/zinc/04/01/37/219040137.db2.gz OMQIDOHWMAHHCN-KRWDZBQOSA-N 0 0 349.478 4.058 50 0 EIAARN c1csc([C@@H]2CCCCN2Cc2c[nH]c(CC3CCCC3)n2)n1 ZINC000097594896 219037384 /nfs/dbraw/zinc/03/73/84/219037384.db2.gz ZWHGOJNUSKXGDD-INIZCTEOSA-N 0 0 330.501 4.326 50 0 EIAARN C[C@@H](OC(=O)C=Cc1cccc2cccnc12)C(=O)c1ccc(F)cc1 ZINC000012823942 257836368 /nfs/dbraw/zinc/83/63/68/257836368.db2.gz ZCUJSFIHFBQBFV-BRADTZPFSA-N 0 0 349.361 4.202 50 0 EIAARN O=C(c1ccn(C2CCCC2)n1)N(CC(F)F)c1ccc(F)cc1 ZINC000193847327 257952730 /nfs/dbraw/zinc/95/27/30/257952730.db2.gz NDFJSGBXGNYSCX-UHFFFAOYSA-N 0 0 337.345 4.049 50 0 EIAARN Cc1ccnc(Oc2ccc(NC(=O)c3cccc4cc[nH]c43)cc2)n1 ZINC000177353645 257954168 /nfs/dbraw/zinc/95/41/68/257954168.db2.gz LPWYTUSEAGSTNQ-UHFFFAOYSA-N 0 0 344.374 4.311 50 0 EIAARN CCO[C@@H](CC)CNC(=O)c1ccc(-c2cc(C)c(O)c(C)c2)cc1 ZINC000426465349 257967633 /nfs/dbraw/zinc/96/76/33/257967633.db2.gz YCJVGRJMYUAMLR-IBGZPJMESA-N 0 0 341.451 4.221 50 0 EIAARN CSc1ccccc1NC(=O)CSc1nc2ccccc2o1 ZINC000000097802 258047389 /nfs/dbraw/zinc/04/73/89/258047389.db2.gz BLMVMDDHWUMWMD-UHFFFAOYSA-N 0 0 330.434 4.281 50 0 EIAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(F)cc3)c12 ZINC000000082587 258047519 /nfs/dbraw/zinc/04/75/19/258047519.db2.gz IPLAJSCZLDIWBH-UHFFFAOYSA-N 0 0 340.350 4.065 50 0 EIAARN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1cc[nH]c(=O)c1 ZINC000328594551 258043397 /nfs/dbraw/zinc/04/33/97/258043397.db2.gz SZEMICCQAIORLV-UHFFFAOYSA-N 0 0 330.815 4.049 50 0 EIAARN Cc1cccnc1N(C)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000408515316 257982272 /nfs/dbraw/zinc/98/22/72/257982272.db2.gz ZEOVWPJFZYMCRY-UHFFFAOYSA-N 0 0 328.721 4.339 50 0 EIAARN CCN(C(=O)C[C@@H]1CCOC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000408512946 257985537 /nfs/dbraw/zinc/98/55/37/257985537.db2.gz GRVYLEDUTATSLS-KKSFZXQISA-N 0 0 341.426 4.190 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)NCCc3ccccc3)c(C)n2)cc1 ZINC000257173284 257998673 /nfs/dbraw/zinc/99/86/73/257998673.db2.gz INISPWLVLVMCNN-UHFFFAOYSA-N 0 0 330.431 4.338 50 0 EIAARN O=C(Nc1ccccc1Cc1ccccc1)N1CCC2(CCO2)CC1 ZINC000299785715 258092982 /nfs/dbraw/zinc/09/29/82/258092982.db2.gz RQLUFUXYLYVZPY-UHFFFAOYSA-N 0 0 336.435 4.064 50 0 EIAARN CC[C@@H]1CN(Cc2ccc(OC)c(O)c2)Cc2ccc(Cl)cc2O1 ZINC000299798539 258102528 /nfs/dbraw/zinc/10/25/28/258102528.db2.gz SVVNNBFKKOGYBM-MRXNPFEDSA-N 0 0 347.842 4.227 50 0 EIAARN O=C(Nc1ccccc1Oc1ccccc1F)N[C@H]1CC[C@H](O)CC1 ZINC000299799470 258102836 /nfs/dbraw/zinc/10/28/36/258102836.db2.gz RXMFDNJRELBECB-HDJSIYSDSA-N 0 0 344.386 4.043 50 0 EIAARN COc1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000452558 258048137 /nfs/dbraw/zinc/04/81/37/258048137.db2.gz MVBDTIBXSPQFTN-LBPRGKRZSA-N 0 0 335.856 4.146 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)NCCCc1ccccc1 ZINC000002796057 258050215 /nfs/dbraw/zinc/05/02/15/258050215.db2.gz WAUPNGQNNOZQOB-UHFFFAOYSA-N 0 0 338.234 4.121 50 0 EIAARN COc1ccccc1CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000005102978 258051364 /nfs/dbraw/zinc/05/13/64/258051364.db2.gz TUELMJUVFRQJIR-LBPRGKRZSA-N 0 0 335.856 4.146 50 0 EIAARN Cc1cc(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc(C(C)C)n1 ZINC000012615944 258055194 /nfs/dbraw/zinc/05/51/94/258055194.db2.gz PUBJAEIQWXAPMB-CYBMUJFWSA-N 0 0 347.459 4.017 50 0 EIAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1F ZINC000012877123 258055545 /nfs/dbraw/zinc/05/55/45/258055545.db2.gz QNLXVLQJOLZABT-UHFFFAOYSA-N 0 0 342.292 4.388 50 0 EIAARN Cc1ccc(-c2nc(COC(=O)c3cc(Cl)c[nH]3)cs2)cc1 ZINC000025197735 258057521 /nfs/dbraw/zinc/05/75/21/258057521.db2.gz FPWJZTJLHLAIEV-UHFFFAOYSA-N 0 0 332.812 4.457 50 0 EIAARN CC(C)CCC[C@H](C)NC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000032809234 258058474 /nfs/dbraw/zinc/05/84/74/258058474.db2.gz PYMUASBZNSYIDF-FUHWJXTLSA-N 0 0 342.487 4.024 50 0 EIAARN NC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000032938455 258058751 /nfs/dbraw/zinc/05/87/51/258058751.db2.gz LEKZNPYVPNAPDM-UHFFFAOYSA-N 0 0 343.386 4.001 50 0 EIAARN COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000064579782 258062519 /nfs/dbraw/zinc/06/25/19/258062519.db2.gz AEDXBLJFULBXIT-HNNXBMFYSA-N 0 0 345.826 4.335 50 0 EIAARN c1cn(Cc2ccccn2)c(SCc2cccc3cccnc32)n1 ZINC000071903280 258064058 /nfs/dbraw/zinc/06/40/58/258064058.db2.gz NPLJJFHXEQCVNC-UHFFFAOYSA-N 0 0 332.432 4.167 50 0 EIAARN COc1ccc(-c2cc3[nH]c(C)c(Cc4ccccc4)c(=O)n3n2)cc1 ZINC000102800976 258069525 /nfs/dbraw/zinc/06/95/25/258069525.db2.gz WPMSKSCDYNOHRM-UHFFFAOYSA-N 0 0 345.402 4.010 50 0 EIAARN CCn1nc(CC(C)C)cc1C(=O)N(C)Cc1cccc(SC)c1 ZINC000215974137 258072440 /nfs/dbraw/zinc/07/24/40/258072440.db2.gz QEDVWAGHLNBHIL-UHFFFAOYSA-N 0 0 345.512 4.096 50 0 EIAARN CC(C)[C@H]1C=CCN1C(=O)c1ccc(-c2ccc(Cl)cn2)cc1 ZINC000299757565 258075448 /nfs/dbraw/zinc/07/54/48/258075448.db2.gz HCSQJHNCCYKRSG-GOSISDBHSA-N 0 0 326.827 4.439 50 0 EIAARN CC[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(C)nn1C1CCCC1 ZINC000299761816 258078839 /nfs/dbraw/zinc/07/88/39/258078839.db2.gz YMNKXRZKVZJIDT-KRWDZBQOSA-N 0 0 341.459 4.317 50 0 EIAARN CC(C)(C)c1ccc2oc(CNC(=O)c3cccn3C3CC3)nc2c1 ZINC000299767849 258082008 /nfs/dbraw/zinc/08/20/08/258082008.db2.gz WFBYLHWAENMTMV-UHFFFAOYSA-N 0 0 337.423 4.192 50 0 EIAARN Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2cccc(F)c2)s1 ZINC000299768549 258082808 /nfs/dbraw/zinc/08/28/08/258082808.db2.gz JYIDUODCMMEOHJ-INIZCTEOSA-N 0 0 332.444 4.195 50 0 EIAARN C/C=C\CS(=O)(=O)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000221886366 533460489 /nfs/dbraw/zinc/46/04/89/533460489.db2.gz KFOTZRUDIJYVLX-QMAVJUDZSA-N 0 0 339.844 4.355 50 0 EIAARN Cc1ccc(OC2CCN(c3ncnc4sccc43)CC2)cc1C ZINC000052426542 132183225 /nfs/dbraw/zinc/18/32/25/132183225.db2.gz AFWJNRFDCHCDCR-UHFFFAOYSA-N 0 0 339.464 4.356 50 0 EIAARN Fc1cccc(Cl)c1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000055292317 132194864 /nfs/dbraw/zinc/19/48/64/132194864.db2.gz ZFTCZFWMRBWQSS-UHFFFAOYSA-N 0 0 339.241 4.455 50 0 EIAARN Fc1ccccc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055543204 132195791 /nfs/dbraw/zinc/19/57/91/132195791.db2.gz VUQKZSZGKKFBNO-UHFFFAOYSA-N 0 0 338.348 4.167 50 0 EIAARN O=C(Nc1ccc(N2CCSCC2)c(F)c1)OCc1ccccc1 ZINC000039138139 132397114 /nfs/dbraw/zinc/39/71/14/132397114.db2.gz IFTVWPQLBCYBPN-UHFFFAOYSA-N 0 0 346.427 4.128 50 0 EIAARN Fc1cccc(C=C2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC000040135324 132399130 /nfs/dbraw/zinc/39/91/30/132399130.db2.gz DCZJFDWWWPGPMP-UHFFFAOYSA-N 0 0 337.320 4.318 50 0 EIAARN CCc1ccc(NC(=O)C[C@H]2COc3ccc(Cl)cc3N2C)cc1 ZINC000064663663 132806605 /nfs/dbraw/zinc/80/66/05/132806605.db2.gz FAQVZGOWYAOBEN-INIZCTEOSA-N 0 0 344.842 4.128 50 0 EIAARN Clc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000004911723 135667870 /nfs/dbraw/zinc/66/78/70/135667870.db2.gz NVLJPTQDDQHZQB-UHFFFAOYSA-N 0 0 337.250 4.442 50 0 EIAARN O=C(c1cccs1)N1c2ncccc2Oc2nc3ccccc3nc21 ZINC000005395269 135671313 /nfs/dbraw/zinc/67/13/13/135671313.db2.gz ASGRJFMUIXFGLN-UHFFFAOYSA-N 0 0 346.371 4.171 50 0 EIAARN CCC(=O)N1CCCc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 ZINC000008768632 135684775 /nfs/dbraw/zinc/68/47/75/135684775.db2.gz HOYAANWAHDIVLI-UHFFFAOYSA-N 0 0 336.435 4.245 50 0 EIAARN Cc1cccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000012558848 135696646 /nfs/dbraw/zinc/69/66/46/135696646.db2.gz WOYBAZMRDPNABS-KRWDZBQOSA-N 0 0 337.467 4.424 50 0 EIAARN Cc1nc(N2CCCCC2)ncc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000021931070 135725804 /nfs/dbraw/zinc/72/58/04/135725804.db2.gz NAMCLYXJMIZWTE-UHFFFAOYSA-N 0 0 338.455 4.151 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)c2)no1 ZINC000158465411 225021422 /nfs/dbraw/zinc/02/14/22/225021422.db2.gz KXJQEQFYCSPFKY-SCLBCKFNSA-N 0 0 348.406 4.270 50 0 EIAARN O=C(c1cnc2ccccc2c1)c1cccc(Br)c1F ZINC000170622783 226663812 /nfs/dbraw/zinc/66/38/12/226663812.db2.gz CSIJBYCKQXRVCG-UHFFFAOYSA-N 0 0 330.156 4.367 50 0 EIAARN O=C(Cc1ccncc1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000121313231 221813324 /nfs/dbraw/zinc/81/33/24/221813324.db2.gz VNDPTWZYSDQXIB-GOSISDBHSA-N 0 0 342.851 4.245 50 0 EIAARN Cc1ccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(C)n2)cc1 ZINC000075437157 518188177 /nfs/dbraw/zinc/18/81/77/518188177.db2.gz ZSUYAGDIFSSPTI-HNNXBMFYSA-N 0 0 331.419 4.251 50 0 EIAARN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000252679353 518456810 /nfs/dbraw/zinc/45/68/10/518456810.db2.gz LEUWUVYHBZQDSK-ZAWLATJESA-N 0 0 343.467 4.132 50 0 EIAARN CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c(=O)[nH]1 ZINC000426493100 519083633 /nfs/dbraw/zinc/08/36/33/519083633.db2.gz DQKLLNVGKHPLBC-QGZVFWFLSA-N 0 0 338.451 4.176 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cnc21 ZINC000239672477 520081880 /nfs/dbraw/zinc/08/18/80/520081880.db2.gz BTFIHOWTGMEPDX-RLFYNMQTSA-N 0 0 340.471 4.101 50 0 EIAARN COc1ccc(-c2noc(CSc3ccc(C)cc3)n2)cc1OC ZINC000004840236 523296160 /nfs/dbraw/zinc/29/61/60/523296160.db2.gz HWGSHTLMSJDAFK-UHFFFAOYSA-N 0 0 342.420 4.355 50 0 EIAARN CO[C@H](CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2o1 ZINC000245187588 523947316 /nfs/dbraw/zinc/94/73/16/523947316.db2.gz ZPNVNFXZLBZNBH-MRXNPFEDSA-N 0 0 347.773 4.343 50 0 EIAARN Cc1cc2cccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2o1 ZINC000091644097 525651389 /nfs/dbraw/zinc/65/13/89/525651389.db2.gz VBQYWQRAZQJAIP-UHFFFAOYSA-N 0 0 345.402 4.199 50 0 EIAARN Cc1ccnc(SCC(=O)N2c3ccccc3C(C)=CC2(C)C)n1 ZINC000000075711 525708968 /nfs/dbraw/zinc/70/89/68/525708968.db2.gz DUUWRROLRVAMQR-UHFFFAOYSA-N 0 0 339.464 4.106 50 0 EIAARN Cc1ccc(-c2nc3ccccc3c(N3C[C@@H](C)O[C@H](C)C3)n2)cc1 ZINC000000080979 525825016 /nfs/dbraw/zinc/82/50/16/525825016.db2.gz XTJUHZVQYUMZEB-HZPDHXFCSA-N 0 0 333.435 4.219 50 0 EIAARN O=C(NCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)cc1 ZINC000040119997 526826876 /nfs/dbraw/zinc/82/68/76/526826876.db2.gz ORRAYMAYKUNCRC-UHFFFAOYSA-N 0 0 327.771 4.317 50 0 EIAARN CC(C)(C)n1cc(NC(=O)N2CCC(c3ccsc3)CC2)cn1 ZINC000187218984 526928058 /nfs/dbraw/zinc/92/80/58/526928058.db2.gz CODMILCOPWFEOY-UHFFFAOYSA-N 0 0 332.473 4.111 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)nc1 ZINC000131004273 527313456 /nfs/dbraw/zinc/31/34/56/527313456.db2.gz DDPZUBQXWFVKMM-UHFFFAOYSA-N 0 0 340.379 4.404 50 0 EIAARN CC(=O)c1csc(C(=O)N(Cc2ccsc2)c2cccnc2)c1 ZINC000193498798 534939747 /nfs/dbraw/zinc/93/97/47/534939747.db2.gz OSFHSYRSHFUPHZ-UHFFFAOYSA-N 0 0 342.445 4.254 50 0 EIAARN CC1(C)[C@@H]2C[C@](C)(Cl)[C@H](Sc3nnn(-c4ccccc4)n3)C[C@@H]21 ZINC000230188483 535042324 /nfs/dbraw/zinc/04/23/24/535042324.db2.gz SSQSSYIXOVMRJG-CFAJVAMVSA-N 0 0 348.903 4.187 50 0 EIAARN CC(C)(C)c1cc(COC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)no1 ZINC000225855506 535108094 /nfs/dbraw/zinc/10/80/94/535108094.db2.gz BTFOPDJGCRJGCN-NEPJUHHUSA-N 0 0 335.350 4.097 50 0 EIAARN CN(CCc1ccccn1)C(=S)Nc1ccc(Cl)cc1Cl ZINC000013520100 563700376 /nfs/dbraw/zinc/70/03/76/563700376.db2.gz NRQGOIMCHGMMFY-UHFFFAOYSA-N 0 0 340.279 4.260 50 0 EIAARN COc1ccc(CN2CCc3ccccc3C2)cc1Br ZINC000000239732 564012078 /nfs/dbraw/zinc/01/20/78/564012078.db2.gz SIJGYHUCFYARBW-UHFFFAOYSA-N 0 0 332.241 4.016 50 0 EIAARN C[C@@H](Nc1ccc2cccc(Br)c2n1)[C@@H]1CCCOC1 ZINC000096002028 564144383 /nfs/dbraw/zinc/14/43/83/564144383.db2.gz HRIKNUJVHJDLLY-DGCLKSJQSA-N 0 0 335.245 4.224 50 0 EIAARN COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000241406 563265218 /nfs/dbraw/zinc/26/52/18/563265218.db2.gz FQPHHUOPTPQYHX-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000000361996 563294014 /nfs/dbraw/zinc/29/40/14/563294014.db2.gz ICFUCGFPEKJROS-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCCCCC(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl ZINC000001787057 563411787 /nfs/dbraw/zinc/41/17/87/563411787.db2.gz MHMPOFXCANLSQG-ZDUSSCGKSA-N 0 0 337.678 4.491 50 0 EIAARN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000003244913 563478136 /nfs/dbraw/zinc/47/81/36/563478136.db2.gz SCBLXSBMHOJXDG-UHFFFAOYSA-N 0 0 331.268 4.387 50 0 EIAARN Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 ZINC000000002212 563211473 /nfs/dbraw/zinc/21/14/73/563211473.db2.gz JOFWLTCLBGQGBO-UHFFFAOYSA-N 0 0 343.217 4.234 50 0 fda EIAARN COc1ccccc1CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000030231 563211706 /nfs/dbraw/zinc/21/17/06/563211706.db2.gz WMVLOKIBGZYEND-UHFFFAOYSA-N 0 0 345.398 4.249 50 0 biogenic EIAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000000037527 563212077 /nfs/dbraw/zinc/21/20/77/563212077.db2.gz NXQQGHWARSPUAH-UHFFFAOYSA-N 0 0 329.421 4.056 50 0 EIAARN CC(C)(C1=N[C@@H](c2ccccc2)CO1)C1=N[C@@H](c2ccccc2)CO1 ZINC000000039428 563212680 /nfs/dbraw/zinc/21/26/80/563212680.db2.gz JTNVCJCSECAMLD-QZTJIDSGSA-N 0 0 334.419 4.353 50 0 EIAARN COc1ccc(Br)cc1CNc1cc(F)c(F)cc1F ZINC000000041178 563212698 /nfs/dbraw/zinc/21/26/98/563212698.db2.gz YZTHZRIJUBLVTH-UHFFFAOYSA-N 0 0 346.146 4.487 50 0 EIAARN CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1OCC ZINC000000072302 563215780 /nfs/dbraw/zinc/21/57/80/563215780.db2.gz ARPHRUVGDJRMDT-UHFFFAOYSA-N 0 0 333.815 4.319 50 0 EIAARN Cc1sc2ncnc(SCC(=O)c3ccc(F)cc3)c2c1C ZINC000000072482 563215848 /nfs/dbraw/zinc/21/58/48/563215848.db2.gz UGHHFQVLSOSMQA-UHFFFAOYSA-N 0 0 332.425 4.422 50 0 EIAARN Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2oc(=O)cc(C)c12 ZINC000000072768 563216150 /nfs/dbraw/zinc/21/61/50/563216150.db2.gz CUHJBWHBJKGLKR-UHFFFAOYSA-N 0 0 328.751 4.282 50 0 EIAARN CCOC(=O)c1cnc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1C ZINC000000077148 563217199 /nfs/dbraw/zinc/21/71/99/563217199.db2.gz QTCNJMZXJDIMMW-UHFFFAOYSA-N 0 0 337.423 4.179 50 0 EIAARN Cc1c(OCC(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000000083524 563219376 /nfs/dbraw/zinc/21/93/76/563219376.db2.gz KKRGJXCHMGGFGS-UHFFFAOYSA-N 0 0 348.398 4.242 50 0 EIAARN Cc1sc2ncnc(SCC(=O)OC3CCCCC3)c2c1C ZINC000000084900 563219765 /nfs/dbraw/zinc/21/97/65/563219765.db2.gz VDBMJSHOAHDAPD-UHFFFAOYSA-N 0 0 336.482 4.276 50 0 EIAARN Cc1ccc(C(=O)c2cc(F)c(N3CCOCC3)cc2Cl)cc1C ZINC000000088366 563221428 /nfs/dbraw/zinc/22/14/28/563221428.db2.gz BDXUIWKSRMWOJN-UHFFFAOYSA-N 0 0 347.817 4.164 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC[C@@H](C)C2 ZINC000000089031 563221836 /nfs/dbraw/zinc/22/18/36/563221836.db2.gz ATMZAMBLRZHMQT-SNVBAGLBSA-N 0 0 347.436 4.203 50 0 EIAARN COc1cccc(Nc2ncnc3ccc(Br)cc32)c1 ZINC000000099118 563225349 /nfs/dbraw/zinc/22/53/49/563225349.db2.gz OHDCCQWORSBHJT-UHFFFAOYSA-N 0 0 330.185 4.145 50 0 EIAARN CCOc1ccc(N[C@]23SCC(=O)[C@@H]2CCc2ccccc23)cc1 ZINC000000104993 563227258 /nfs/dbraw/zinc/22/72/58/563227258.db2.gz ZMLVZLBLPPGPPA-AZUAARDMSA-N 0 0 339.460 4.229 50 0 EIAARN CCC[C@H]1c2ccsc2CCN1C(=O)c1cc(OC)cc(OC)c1 ZINC000000106831 563228370 /nfs/dbraw/zinc/22/83/70/563228370.db2.gz WVZWGDHXUJAZJC-KRWDZBQOSA-N 0 0 345.464 4.305 50 0 EIAARN Cc1ccc(CN2C(=O)c3ccccc3[C@]2(O)Cc2ccccc2)cc1 ZINC000000112279 563230426 /nfs/dbraw/zinc/23/04/26/563230426.db2.gz SWIQDEUMURMNTF-HSZRJFAPSA-N 0 0 343.426 4.039 50 0 EIAARN COc1ccc2[nH]c(C(=O)NCc3cc(Cl)ccc3Cl)cc2c1 ZINC000000114527 563231392 /nfs/dbraw/zinc/23/13/92/563231392.db2.gz ZVCNKXRRPJUYJM-UHFFFAOYSA-N 0 0 349.217 4.413 50 0 EIAARN CN(Cc1ccccc1)C(=O)COc1ccc(-c2ccccc2)cc1 ZINC000000116596 563232151 /nfs/dbraw/zinc/23/21/51/563232151.db2.gz TXRKIWTVPBAYOS-UHFFFAOYSA-N 0 0 331.415 4.391 50 0 EIAARN O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccs1 ZINC000000117371 563232551 /nfs/dbraw/zinc/23/25/51/563232551.db2.gz CKJSACBFTWOUNV-UHFFFAOYSA-N 0 0 337.326 4.205 50 0 EIAARN Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)c(C)c1 ZINC000000121767 563234743 /nfs/dbraw/zinc/23/47/43/563234743.db2.gz WCQPKHGBALOEMA-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000000143767 563243228 /nfs/dbraw/zinc/24/32/28/563243228.db2.gz MFNSLKMTFOOJKS-MRVPVSSYSA-N 0 0 342.675 4.210 50 0 EIAARN O=C(Nc1cccc(COC(=O)c2ccccc2)c1)c1ccccc1 ZINC000000154131 563247138 /nfs/dbraw/zinc/24/71/38/563247138.db2.gz AOXACLXIOJDJGR-UHFFFAOYSA-N 0 0 331.371 4.296 50 0 EIAARN FC(F)(F)c1ccc(-c2n[nH]c(=S)n2Cc2ccco2)cc1 ZINC000000156645 563248165 /nfs/dbraw/zinc/24/81/65/563248165.db2.gz VJUJXUVKRAZYEU-UHFFFAOYSA-N 0 0 325.315 4.268 50 0 EIAARN FC(F)(F)c1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000000156664 563248201 /nfs/dbraw/zinc/24/82/01/563248201.db2.gz GKMIHRCKYAICPW-UHFFFAOYSA-N 0 0 334.253 4.151 50 0 EIAARN O=C(NC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000000166372 563249701 /nfs/dbraw/zinc/24/97/01/563249701.db2.gz OLFTXWLNJYGRPQ-UHFFFAOYSA-N 0 0 345.132 4.234 50 0 EIAARN O=C(CN1c2ccccc2N2CCCN=C12)c1cccc2ccccc21 ZINC000000186904 563255571 /nfs/dbraw/zinc/25/55/71/563255571.db2.gz XRXHYGKBZDIWQM-UHFFFAOYSA-N 0 0 341.414 4.109 50 0 EIAARN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1 ZINC000000188573 563255910 /nfs/dbraw/zinc/25/59/10/563255910.db2.gz ISNKZMJBHNMTJD-UHFFFAOYSA-N 0 0 331.419 4.165 50 0 EIAARN Cc1ccc(S(=O)(=O)N[C@H](C)C2C3CC4CC(C3)CC2C4)c(C)c1 ZINC000000189735 563255980 /nfs/dbraw/zinc/25/59/80/563255980.db2.gz PXHJUOMTAWEPRU-UABJAZSOSA-N 0 0 347.524 4.043 50 0 EIAARN COc1ccc2c(c1)oc(C(F)(F)F)c(-c1csc(C)n1)c2=O ZINC000000190581 563256195 /nfs/dbraw/zinc/25/61/95/563256195.db2.gz GOJMWEOORYCURQ-UHFFFAOYSA-N 0 0 341.310 4.252 50 0 EIAARN O=C(NCc1ccccn1)c1cc(-c2cccs2)nc2ccccc21 ZINC000000200539 563258736 /nfs/dbraw/zinc/25/87/36/563258736.db2.gz OAGRGRVCUAYVJO-UHFFFAOYSA-N 0 0 345.427 4.288 50 0 EIAARN COc1ccccc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000000203502 563259330 /nfs/dbraw/zinc/25/93/30/563259330.db2.gz BPCBHLCQTLAFBG-UHFFFAOYSA-N 0 0 349.415 4.324 50 0 EIAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000000205880 563259814 /nfs/dbraw/zinc/25/98/14/563259814.db2.gz KFSBQJHFBFQSQT-IRXDYDNUSA-N 0 0 340.814 4.086 50 0 EIAARN FC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccnc2)n1 ZINC000000213193 563261479 /nfs/dbraw/zinc/26/14/79/563261479.db2.gz JUYPHOHITMKBLE-UHFFFAOYSA-N 0 0 330.313 4.170 50 0 EIAARN CC1(C)C[C@H](C(=O)NCC[C@@H](c2ccco2)c2ccccc2)CCO1 ZINC000000215894 563261984 /nfs/dbraw/zinc/26/19/84/563261984.db2.gz ARBAYEJQTAMILF-QZTJIDSGSA-N 0 0 341.451 4.123 50 0 biogenic EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)cc1 ZINC000000233417 563263793 /nfs/dbraw/zinc/26/37/93/563263793.db2.gz ZLJCMCLDLPNXDL-INIZCTEOSA-N 0 0 336.435 4.262 50 0 EIAARN Cc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1Cl ZINC000000246095 563266168 /nfs/dbraw/zinc/26/61/68/563266168.db2.gz OGXPSBFPNILIFP-UHFFFAOYSA-N 0 0 346.839 4.054 50 0 EIAARN O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1cccs1 ZINC000000273095 563270211 /nfs/dbraw/zinc/27/02/11/563270211.db2.gz RAAXADPLMZBAEC-LBPRGKRZSA-N 0 0 349.670 4.286 50 0 EIAARN Cc1cccc(C[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000000281405 563271919 /nfs/dbraw/zinc/27/19/19/563271919.db2.gz HCVCTQQMLAAREH-HNNXBMFYSA-N 0 0 327.811 4.079 50 0 EIAARN Oc1ccc(-c2n[nH]c(C(F)(F)F)c2Oc2ccccc2)c(O)c1 ZINC000000296959 563274854 /nfs/dbraw/zinc/27/48/54/563274854.db2.gz LEGCAYDVIIRQOL-UHFFFAOYSA-N 0 0 336.269 4.299 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000000304192 563277093 /nfs/dbraw/zinc/27/70/93/563277093.db2.gz YBMIVNGOUISOMT-VXGBXAGGSA-N 0 0 332.831 4.422 50 0 EIAARN COc1ccc(NC(=S)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000000305025 563277379 /nfs/dbraw/zinc/27/73/79/563277379.db2.gz LNWATNTWDRSOSJ-UHFFFAOYSA-N 0 0 336.844 4.475 50 0 EIAARN CCCc1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000000307177 563278452 /nfs/dbraw/zinc/27/84/52/563278452.db2.gz MTQITLUMPNUEFZ-HNNXBMFYSA-N 0 0 344.842 4.082 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000000308230 563278747 /nfs/dbraw/zinc/27/87/47/563278747.db2.gz AKBBDBFPVIQSDG-UHFFFAOYSA-N 0 0 334.213 4.489 50 0 EIAARN Cc1ccccc1NC(=O)COc1ccc(Br)cc1C ZINC000000311135 563281009 /nfs/dbraw/zinc/28/10/09/563281009.db2.gz LLDGOXCYXJVWJN-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Cc1cc(OCC(=O)N(C)c2ccccc2)cc(C)c1Br ZINC000000312152 563281350 /nfs/dbraw/zinc/28/13/50/563281350.db2.gz BQWINZYLMFIRBG-UHFFFAOYSA-N 0 0 348.240 4.108 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000316130 563282764 /nfs/dbraw/zinc/28/27/64/563282764.db2.gz OWYMDVGYSQWXDJ-FOCLMDBBSA-N 0 0 348.446 4.401 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1C ZINC000000318327 563283672 /nfs/dbraw/zinc/28/36/72/563283672.db2.gz ZQHYIZXXVGGHDL-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN Fc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1 ZINC000000340640 563286219 /nfs/dbraw/zinc/28/62/19/563286219.db2.gz AQOUASCFRHIMFY-UHFFFAOYSA-N 0 0 329.338 4.103 50 0 EIAARN CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccccc1 ZINC000000350036 563289128 /nfs/dbraw/zinc/28/91/28/563289128.db2.gz MRAAINIKTLQAMC-UHFFFAOYSA-N 0 0 329.812 4.009 50 0 EIAARN CC1(C)[C@@]2(C(=O)Nc3ccccc3-n3cccc3)CC[C@]1(C)C(=O)C2 ZINC000000352744 563290147 /nfs/dbraw/zinc/29/01/47/563290147.db2.gz PRLVLEBEIFWTMG-RTWAWAEBSA-N 0 0 336.435 4.201 50 0 EIAARN Cc1ccccc1OCC(=O)NC(=S)Nc1ccccc1C(C)C ZINC000000359631 563292595 /nfs/dbraw/zinc/29/25/95/563292595.db2.gz GKWPPTVFWNTEGJ-UHFFFAOYSA-N 0 0 342.464 4.010 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2F)cc1Cl ZINC000000359671 563292630 /nfs/dbraw/zinc/29/26/30/563292630.db2.gz YQQFNNGRSPNYIT-UHFFFAOYSA-N 0 0 340.782 4.053 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000000363676 563295066 /nfs/dbraw/zinc/29/50/66/563295066.db2.gz DZZGWWCJXWJFAY-UHFFFAOYSA-N 0 0 333.387 4.198 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1OC ZINC000000364253 563295381 /nfs/dbraw/zinc/29/53/81/563295381.db2.gz LICXZRUDIRJVDU-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1ccc(C)c(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c1 ZINC000000364566 563295551 /nfs/dbraw/zinc/29/55/51/563295551.db2.gz OJWGBTKLNVXLPM-CYBMUJFWSA-N 0 0 337.678 4.184 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)c(C)c1 ZINC000000364930 563296013 /nfs/dbraw/zinc/29/60/13/563296013.db2.gz VVRHMDZTKMZJOE-ZDUSSCGKSA-N 0 0 326.421 4.319 50 0 EIAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1=NCCS1 ZINC000000369112 563297313 /nfs/dbraw/zinc/29/73/13/563297313.db2.gz CUXBMRUFZALAKS-UHFFFAOYSA-N 0 0 347.443 4.043 50 0 EIAARN C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 ZINC000000384373 563301297 /nfs/dbraw/zinc/30/12/97/563301297.db2.gz KLIGXSGVUOCCJC-LBPRGKRZSA-N 0 0 346.814 4.200 50 0 EIAARN Cc1nnc2sc([C@H](C)c3ccc(-c4ccccc4)c(F)c3)nn12 ZINC000000385332 563301987 /nfs/dbraw/zinc/30/19/87/563301987.db2.gz VHOHYPMNCSWMEU-LLVKDONJSA-N 0 0 338.411 4.452 50 0 EIAARN COc1ccccc1NC(=O)CCSc1nc2ccccc2s1 ZINC000000386106 563302827 /nfs/dbraw/zinc/30/28/27/563302827.db2.gz BDTGZBVYRLGRCU-UHFFFAOYSA-N 0 0 344.461 4.426 50 0 EIAARN COC(=O)Nc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1 ZINC000000392148 563304133 /nfs/dbraw/zinc/30/41/33/563304133.db2.gz DTOKXUYRMPAQTQ-UHFFFAOYSA-N 0 0 335.812 4.493 50 0 EIAARN COc1cc(OC)c(NC(=O)Oc2ccccc2F)cc1Cl ZINC000000400414 563305901 /nfs/dbraw/zinc/30/59/01/563305901.db2.gz XRNRPCXXWODJSI-UHFFFAOYSA-N 0 0 325.723 4.107 50 0 EIAARN COC(=O)N[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000000404180 563306406 /nfs/dbraw/zinc/30/64/06/563306406.db2.gz XKZUAVPCBIFLIB-HXUWFJFHSA-N 0 0 347.414 4.020 50 0 EIAARN CC(=O)O[C@H](C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000406491 563306976 /nfs/dbraw/zinc/30/69/76/563306976.db2.gz NWRDCPRKMXFJGF-HNNXBMFYSA-N 0 0 338.190 4.236 50 0 EIAARN O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(Cl)cc1 ZINC000000407462 563306979 /nfs/dbraw/zinc/30/69/79/563306979.db2.gz RZNNYFAEEKYRER-UHFFFAOYSA-N 0 0 339.609 4.405 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000000423596 563309087 /nfs/dbraw/zinc/30/90/87/563309087.db2.gz JTQJHOXDFIWXMW-UHFFFAOYSA-N 0 0 346.745 4.395 50 0 EIAARN CC(=O)c1cccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1 ZINC000000426371 563310091 /nfs/dbraw/zinc/31/00/91/563310091.db2.gz NWUWGPCKXLYDEL-UHFFFAOYSA-N 0 0 343.390 4.070 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1 ZINC000000426617 563310635 /nfs/dbraw/zinc/31/06/35/563310635.db2.gz RRFKKYPQIWITSK-AWEZNQCLSA-N 0 0 340.423 4.281 50 0 EIAARN CCc1ccccc1NC(=O)c1noc2c1CCc1cc(OC)ccc1-2 ZINC000000426646 563310670 /nfs/dbraw/zinc/31/06/70/563310670.db2.gz JKLUORCZNKFUSZ-UHFFFAOYSA-N 0 0 348.402 4.264 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C)c1CC ZINC000000441609 563314118 /nfs/dbraw/zinc/31/41/18/563314118.db2.gz IWQQTXQAGQUHJF-UHFFFAOYSA-N 0 0 335.400 4.187 50 0 EIAARN COc1ccccc1NC(=O)/C=C/c1cc(Br)cs1 ZINC000000443015 563315091 /nfs/dbraw/zinc/31/50/91/563315091.db2.gz WKMSDJGGPLQMGM-VOTSOKGWSA-N 0 0 338.226 4.171 50 0 EIAARN C[C@@H](NC(=O)CSc1nc2ccccc2s1)c1ccccc1 ZINC000000446018 563317118 /nfs/dbraw/zinc/31/71/18/563317118.db2.gz KYOHXHIBPMMHRS-GFCCVEGCSA-N 0 0 328.462 4.266 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 ZINC000000447547 563317995 /nfs/dbraw/zinc/31/79/95/563317995.db2.gz WWCSGWFKCFOCRS-UHFFFAOYSA-N 0 0 346.365 4.120 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C ZINC000000447527 563318028 /nfs/dbraw/zinc/31/80/28/563318028.db2.gz IIRSLHQMVVGVID-UHFFFAOYSA-N 0 0 338.451 4.311 50 0 EIAARN CC(=O)c1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1 ZINC000000450521 563319244 /nfs/dbraw/zinc/31/92/44/563319244.db2.gz PJCBVNIFHVBZLA-UHFFFAOYSA-N 0 0 348.427 4.169 50 0 EIAARN Cc1ccccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000454673 563322952 /nfs/dbraw/zinc/32/29/52/563322952.db2.gz CUXIZGUAQUOTFI-UHFFFAOYSA-N 0 0 326.465 4.419 50 0 EIAARN C=Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 ZINC000000467027 563328788 /nfs/dbraw/zinc/32/87/88/563328788.db2.gz MPOIGHZVCNYVKW-UHFFFAOYSA-N 0 0 332.359 4.427 50 0 EIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000000468384 563329663 /nfs/dbraw/zinc/32/96/63/563329663.db2.gz IBTUAZWREFCFRC-UHFFFAOYSA-N 0 0 343.688 4.340 50 0 EIAARN COc1ccc(C(=O)CCNc2ccc(C)c(Br)c2)cc1 ZINC000000471418 563331514 /nfs/dbraw/zinc/33/15/14/563331514.db2.gz LSGKVIOKLKNIBO-UHFFFAOYSA-N 0 0 348.240 4.451 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1Cl ZINC000000472272 563332141 /nfs/dbraw/zinc/33/21/41/563332141.db2.gz WVPCOUOKACFGGJ-SNVBAGLBSA-N 0 0 340.206 4.408 50 0 EIAARN COc1cc(OC)c(C(=O)Nc2ccccc2C(C)(C)C)cc1OC ZINC000000496507 563338680 /nfs/dbraw/zinc/33/86/80/563338680.db2.gz NYNYGCKXTIAFQQ-UHFFFAOYSA-N 0 0 343.423 4.262 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000000509006 563339742 /nfs/dbraw/zinc/33/97/42/563339742.db2.gz XYMKSCDRNBYTCE-UHFFFAOYSA-N 0 0 340.423 4.094 50 0 EIAARN O=C(Cc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000000529097 563342103 /nfs/dbraw/zinc/34/21/03/563342103.db2.gz LUOXXVIQKNWWSA-UHFFFAOYSA-N 0 0 345.358 4.178 50 0 EIAARN COc1cc2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2cc1OC ZINC000000545980 563344518 /nfs/dbraw/zinc/34/45/18/563344518.db2.gz DISSQPLQNUOTBE-UHFFFAOYSA-N 0 0 339.391 4.170 50 0 EIAARN O=C(NCC[C@H](c1ccco1)c1ccc(F)cc1)c1cccs1 ZINC000000550841 563344820 /nfs/dbraw/zinc/34/48/20/563344820.db2.gz MPNZKURRHZODRC-HNNXBMFYSA-N 0 0 329.396 4.432 50 0 EIAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(Cl)ccc1Cl ZINC000000557663 563346186 /nfs/dbraw/zinc/34/61/86/563346186.db2.gz MEQMPSHNWZMILI-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN CCC(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 ZINC000000557863 563346435 /nfs/dbraw/zinc/34/64/35/563346435.db2.gz XGARKXCHCGEJKA-UHFFFAOYSA-N 0 0 341.461 4.186 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(C)c1 ZINC000000566812 563348101 /nfs/dbraw/zinc/34/81/01/563348101.db2.gz SZEVDMYSUJIKCL-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000000570296 563349468 /nfs/dbraw/zinc/34/94/68/563349468.db2.gz ZMGDNKDVMKVHSB-UHFFFAOYSA-N 0 0 340.423 4.321 50 0 EIAARN O=C(OCc1ccc(Cl)cc1)c1ccccc1Br ZINC000000572015 563350141 /nfs/dbraw/zinc/35/01/41/563350141.db2.gz FXHJZWWVZKLHGL-UHFFFAOYSA-N 0 0 325.589 4.460 50 0 EIAARN Cc1ccc(Nc2nnc(-c3ccncc3)s2)c(Br)c1 ZINC000000611057 563354129 /nfs/dbraw/zinc/35/41/29/563354129.db2.gz ALBLBEYTSRJPPH-UHFFFAOYSA-N 0 0 347.241 4.415 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(Br)c1 ZINC000000611470 563354342 /nfs/dbraw/zinc/35/43/42/563354342.db2.gz YMBCPIWQXFMNMB-UHFFFAOYSA-N 0 0 349.184 4.130 50 0 EIAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 ZINC000000614935 563357828 /nfs/dbraw/zinc/35/78/28/563357828.db2.gz RZFNMTZSOHEUPB-UHFFFAOYSA-N 0 0 328.387 4.453 50 0 EIAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(CC)cc3)Nc3ncnn32)cc1 ZINC000000616868 563358803 /nfs/dbraw/zinc/35/88/03/563358803.db2.gz FVYQPYUIAUUJQU-UXHICEINSA-N 0 0 348.450 4.386 50 0 EIAARN C[C@H](CC(=O)Nc1nnc(Cc2ccccc2)s1)c1ccccc1 ZINC000000616940 563358825 /nfs/dbraw/zinc/35/88/25/563358825.db2.gz KXOZPRCZAWDEPS-CQSZACIVSA-N 0 0 337.448 4.261 50 0 EIAARN Cc1c(Br)ccc(NC(=O)c2ccc3c(c2)OCO3)c1C ZINC000000617594 563359440 /nfs/dbraw/zinc/35/94/40/563359440.db2.gz JWGQXZZNQYCEHK-UHFFFAOYSA-N 0 0 348.196 4.047 50 0 EIAARN Cc1ccccc1Cc1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000000618132 563359896 /nfs/dbraw/zinc/35/98/96/563359896.db2.gz DFOYFAUXOHRVOO-UHFFFAOYSA-N 0 0 343.839 4.343 50 0 EIAARN C[C@@H](Oc1ccc(Br)cc1)c1nc(-c2ccncc2)no1 ZINC000000621217 563362120 /nfs/dbraw/zinc/36/21/20/563362120.db2.gz MGUPYAAEVVEMAO-SNVBAGLBSA-N 0 0 346.184 4.034 50 0 EIAARN Cc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1C ZINC000000795400 563363480 /nfs/dbraw/zinc/36/34/80/563363480.db2.gz CHGDBWOKMDKAJD-UHFFFAOYSA-N 0 0 328.437 4.167 50 0 EIAARN Cc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1ccco1 ZINC000000884372 563365531 /nfs/dbraw/zinc/36/55/31/563365531.db2.gz KREHVIHNTHVHIN-UHFFFAOYSA-N 0 0 338.338 4.232 50 0 EIAARN COC(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12 ZINC000001003851 563367980 /nfs/dbraw/zinc/36/79/80/563367980.db2.gz GDDJHHRAESBSHU-BUHFOSPRSA-N 0 0 331.371 4.278 50 0 EIAARN CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 ZINC000001006595 563368000 /nfs/dbraw/zinc/36/80/00/563368000.db2.gz ZCHCLICLFANXGQ-UHFFFAOYSA-N 0 0 348.805 4.117 50 0 EIAARN COc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000001017138 563368703 /nfs/dbraw/zinc/36/87/03/563368703.db2.gz ULVZJQUSCUXTCS-UHFFFAOYSA-N 0 0 332.355 4.145 50 0 EIAARN CCCc1nn(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl ZINC000001018174 563368705 /nfs/dbraw/zinc/36/87/05/563368705.db2.gz DGPZZJWXSCTRCP-UHFFFAOYSA-N 0 0 327.815 4.432 50 0 EIAARN FC(F)(F)c1ccc(Cl)c(Nc2ncnc(-n3cccc3)n2)c1 ZINC000001044753 563370182 /nfs/dbraw/zinc/37/01/82/563370182.db2.gz BMUUWMFGIJRURN-UHFFFAOYSA-N 0 0 339.708 4.078 50 0 EIAARN CCOc1cccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc21 ZINC000001059513 563371808 /nfs/dbraw/zinc/37/18/08/563371808.db2.gz DQCKPKRSGSVEKT-UHFFFAOYSA-N 0 0 337.375 4.061 50 0 EIAARN COc1ccc(Cc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000001068704 563372879 /nfs/dbraw/zinc/37/28/79/563372879.db2.gz RPVCEBCEPKGNHM-UHFFFAOYSA-N 0 0 345.196 4.099 50 0 EIAARN O=C1OCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000001111203 563375092 /nfs/dbraw/zinc/37/50/92/563375092.db2.gz RTWXQWVWRRRBND-HNNXBMFYSA-N 0 0 337.400 4.416 50 0 EIAARN CN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2F)C1=O ZINC000001172743 563377392 /nfs/dbraw/zinc/37/73/92/563377392.db2.gz SIKVUQGPNWCUJH-YBEGLDIGSA-N 0 0 343.379 4.071 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000001180435 563377655 /nfs/dbraw/zinc/37/76/55/563377655.db2.gz OOXLGKHDXVGDJJ-CQSZACIVSA-N 0 0 341.451 4.492 50 0 EIAARN O=C(NCc1ccccc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000001199861 563378804 /nfs/dbraw/zinc/37/88/04/563378804.db2.gz CLRRJYLGLJQXQK-UHFFFAOYSA-N 0 0 328.371 4.425 50 0 EIAARN CC[C@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)c1ccccc1 ZINC000001200846 563378815 /nfs/dbraw/zinc/37/88/15/563378815.db2.gz LGNIQOWUVVMHMV-ZDUSSCGKSA-N 0 0 343.448 4.156 50 0 EIAARN COc1ccc(N2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 ZINC000001210077 563379149 /nfs/dbraw/zinc/37/91/49/563379149.db2.gz KTHTUCBCYIXGHF-GDNBJRDFSA-N 0 0 329.352 4.075 50 0 EIAARN C[C@@H](c1nnc(NC(=O)Nc2ccccc2F)s1)c1ccccc1 ZINC000001299836 563382761 /nfs/dbraw/zinc/38/27/61/563382761.db2.gz MIAFUJCNSRPMOS-LLVKDONJSA-N 0 0 342.399 4.473 50 0 EIAARN C[C@H](c1nnc(NC(=O)Nc2ccccc2F)s1)c1ccccc1 ZINC000001299834 563382792 /nfs/dbraw/zinc/38/27/92/563382792.db2.gz MIAFUJCNSRPMOS-NSHDSACASA-N 0 0 342.399 4.473 50 0 EIAARN Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccccc1 ZINC000001398608 563386959 /nfs/dbraw/zinc/38/69/59/563386959.db2.gz LFUAJHRRAYJVBI-UHFFFAOYSA-N 0 0 329.812 4.353 50 0 EIAARN O=C(O[C@@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1ccccc1 ZINC000001406527 563388133 /nfs/dbraw/zinc/38/81/33/563388133.db2.gz SOHOEVQNGGLRPU-STIKNRRDSA-N 0 0 337.394 4.118 50 0 EIAARN CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3n2C)c1 ZINC000001431483 563388911 /nfs/dbraw/zinc/38/89/11/563388911.db2.gz DCWJNTMVEIJQBU-UHFFFAOYSA-N 0 0 331.828 4.201 50 0 EIAARN CCCCNC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 ZINC000001775929 563410889 /nfs/dbraw/zinc/41/08/89/563410889.db2.gz XMEAYOOCMONCHW-ACCUITESSA-N 0 0 339.435 4.204 50 0 EIAARN CCCCOc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 ZINC000001779524 563411891 /nfs/dbraw/zinc/41/18/91/563411891.db2.gz QVMOWRJGRBJKMT-UHFFFAOYSA-N 0 0 327.424 4.500 50 0 EIAARN O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1cccnc1 ZINC000001977912 563417531 /nfs/dbraw/zinc/41/75/31/563417531.db2.gz GJRFRRYDQIAMGP-UHFFFAOYSA-N 0 0 343.338 4.074 50 0 EIAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)c1 ZINC000002053722 563420128 /nfs/dbraw/zinc/42/01/28/563420128.db2.gz PARVEHBDHIRGOA-UHFFFAOYSA-N 0 0 342.464 4.219 50 0 EIAARN Cc1cccc(-c2nnc(C3(c4cccc(F)c4)CCOCC3)o2)c1 ZINC000071889908 563421712 /nfs/dbraw/zinc/42/17/12/563421712.db2.gz SFAWAODBOHIVAV-UHFFFAOYSA-N 0 0 338.382 4.281 50 0 EIAARN Clc1cccc(C2(c3nc(C4CCCC4)no3)CCOCC2)c1 ZINC000071890040 563422431 /nfs/dbraw/zinc/42/24/31/563422431.db2.gz HYKIKELNQISWSW-UHFFFAOYSA-N 0 0 332.831 4.477 50 0 EIAARN CCCCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCC2 ZINC000002103405 563422576 /nfs/dbraw/zinc/42/25/76/563422576.db2.gz KOKDEVGTARXNRJ-UHFFFAOYSA-N 0 0 335.469 4.322 50 0 EIAARN CCCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(OC)cc1 ZINC000002101955 563422619 /nfs/dbraw/zinc/42/26/19/563422619.db2.gz LIGZAIBAHBOINH-UHFFFAOYSA-N 0 0 347.436 4.193 50 0 EIAARN CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000002129269 563423289 /nfs/dbraw/zinc/42/32/89/563423289.db2.gz IHPRBKCYVAPHAI-VQTJNVASSA-N 0 0 329.440 4.090 50 0 EIAARN O=C(NCCOc1ccccc1Cl)c1cc(F)c(F)cc1Cl ZINC000002206383 563426904 /nfs/dbraw/zinc/42/69/04/563426904.db2.gz SJLWDAHPKZXNBI-UHFFFAOYSA-N 0 0 346.160 4.080 50 0 EIAARN Cc1nn2c(nc3c(c2N2CCCC2)CCCC3)c1-c1ccccc1 ZINC000002237896 563427605 /nfs/dbraw/zinc/42/76/05/563427605.db2.gz XTMUCOHWBSAJAP-UHFFFAOYSA-N 0 0 332.451 4.184 50 0 EIAARN O=C([O-])[C@H]1CCC[N@H+](CCC=C(c2ccccc2)c2ccccc2)C1 ZINC000002379523 563430926 /nfs/dbraw/zinc/43/09/26/563430926.db2.gz TXQKSMSLZVKQBI-FQEVSTJZSA-N 0 0 335.447 4.305 50 0 in-vitro EIAARN O[C@@H](COCc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000002454835 563432765 /nfs/dbraw/zinc/43/27/65/563432765.db2.gz YORFMQKZZOXAJH-GOSISDBHSA-N 0 0 331.415 4.372 50 0 EIAARN CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000002499083 563434125 /nfs/dbraw/zinc/43/41/25/563434125.db2.gz NYVXBAIZBBHLKO-CYBMUJFWSA-N 0 0 345.826 4.456 50 0 EIAARN O=C(c1cccc(CN2CC=CC2)c1)c1ccccc1C(F)(F)F ZINC000002515408 563436648 /nfs/dbraw/zinc/43/66/48/563436648.db2.gz AZSXPAQCXNPKBE-UHFFFAOYSA-N 0 0 331.337 4.308 50 0 EIAARN OCc1cn(-c2ccccc2F)nc1-c1ccc(Cl)cc1Cl ZINC000002544980 563440235 /nfs/dbraw/zinc/44/02/35/563440235.db2.gz BCNGYIKQFDSEID-UHFFFAOYSA-N 0 0 337.181 4.478 50 0 EIAARN COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1OC ZINC000002615796 563444444 /nfs/dbraw/zinc/44/44/44/563444444.db2.gz LBEPSSGZYYZHTC-UHFFFAOYSA-N 0 0 343.423 4.019 50 0 EIAARN Cc1ccccc1NS(=O)(=O)CCCCC(Cl)(Cl)Cl ZINC000002697185 563446328 /nfs/dbraw/zinc/44/63/28/563446328.db2.gz USJLZZYFUVLXKA-UHFFFAOYSA-N 0 0 344.691 4.277 50 0 EIAARN CCOCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002734956 563447278 /nfs/dbraw/zinc/44/72/78/563447278.db2.gz KBPVIAQBZDIICB-UHFFFAOYSA-N 0 0 326.421 4.247 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)o1)CCCCCC2 ZINC000002748144 563448402 /nfs/dbraw/zinc/44/84/02/563448402.db2.gz OTQDSIIFKMHOJH-UHFFFAOYSA-N 0 0 347.436 4.347 50 0 EIAARN O=C(Nc1ccc(Cl)cc1F)c1c(F)c(F)c(F)c(F)c1F ZINC000002754304 563449090 /nfs/dbraw/zinc/44/90/90/563449090.db2.gz KNMPGSVJTAMCIG-UHFFFAOYSA-N 0 0 339.622 4.427 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002753429 563449125 /nfs/dbraw/zinc/44/91/25/563449125.db2.gz XTLQGZWRRAOALZ-QPJJXVBHSA-N 0 0 343.251 4.043 50 0 EIAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2F)c1 ZINC000002810306 563451638 /nfs/dbraw/zinc/45/16/38/563451638.db2.gz IUBPESGADYNYAG-UHFFFAOYSA-N 0 0 346.427 4.131 50 0 EIAARN O=C1S/C(=C\c2cccs2)C(=O)N1CCCc1ccccc1 ZINC000002813091 563451905 /nfs/dbraw/zinc/45/19/05/563451905.db2.gz FCJVIBAXNUJYNY-QINSGFPZSA-N 0 0 329.446 4.417 50 0 EIAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@H](c2ccccc2)C1 ZINC000002831138 563453698 /nfs/dbraw/zinc/45/36/98/563453698.db2.gz DCLGOTDVTZKVFQ-JTQLQIEISA-N 0 0 341.279 4.012 50 0 EIAARN COc1cc(C)ccc1S(=O)(=O)Oc1cc(Cl)ccc1Cl ZINC000002835212 563453702 /nfs/dbraw/zinc/45/37/02/563453702.db2.gz ZDEINQLVMRKXRQ-UHFFFAOYSA-N 0 0 347.219 4.078 50 0 EIAARN COc1ccccc1NC(=O)COc1cccc(Cl)c1Cl ZINC000002838819 563454331 /nfs/dbraw/zinc/45/43/31/563454331.db2.gz LHBKHBUBMDLSMG-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN CCCCOc1ccccc1/C=C1/N=C(c2ccc(F)cc2)OC1=O ZINC000002844345 563454940 /nfs/dbraw/zinc/45/49/40/563454940.db2.gz APVDHURXWFFYTC-GHRIWEEISA-N 0 0 339.366 4.349 50 0 EIAARN CCOc1ccc(CCNC(=S)Nc2ccccc2)cc1OCC ZINC000002852581 563456018 /nfs/dbraw/zinc/45/60/18/563456018.db2.gz MGQUSBOOSJUCOH-UHFFFAOYSA-N 0 0 344.480 4.013 50 0 EIAARN CCC(CC)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000002864884 563457660 /nfs/dbraw/zinc/45/76/60/563457660.db2.gz PPHZKAQFYRDBCS-UHFFFAOYSA-N 0 0 336.435 4.264 50 0 EIAARN O=S(=O)(NCCSC1CCCCC1)c1ccc2ccccc2c1 ZINC000002864399 563457672 /nfs/dbraw/zinc/45/76/72/563457672.db2.gz FABXURYFYDAPCH-UHFFFAOYSA-N 0 0 349.521 4.184 50 0 EIAARN COCCSc1ccccc1C(=O)Nc1nc2ccccc2s1 ZINC000002865271 563458061 /nfs/dbraw/zinc/45/80/61/563458061.db2.gz RJUBZFTTYGAEOV-UHFFFAOYSA-N 0 0 344.461 4.287 50 0 EIAARN CCOc1cc(C=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000002866705 563458071 /nfs/dbraw/zinc/45/80/71/563458071.db2.gz OYZPKFJEJLSMHW-UHFFFAOYSA-N 0 0 334.799 4.317 50 0 EIAARN Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 ZINC000002874607 563459370 /nfs/dbraw/zinc/45/93/70/563459370.db2.gz LQZKNNAHENPWES-UHFFFAOYSA-N 0 0 335.407 4.096 50 0 EIAARN CCCCOc1ccc(C(=O)NCCOc2ccccc2Cl)cc1 ZINC000002873326 563459474 /nfs/dbraw/zinc/45/94/74/563459474.db2.gz HDDLXYUIMZODHS-UHFFFAOYSA-N 0 0 347.842 4.328 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)N(CC)CC)c2ccccc12 ZINC000002884566 563461409 /nfs/dbraw/zinc/46/14/09/563461409.db2.gz NSTYBNALPAXEGK-UHFFFAOYSA-N 0 0 335.469 4.049 50 0 EIAARN CCOc1ccccc1-c1nnc(SCC(=O)c2ccccc2)o1 ZINC000002888613 563462048 /nfs/dbraw/zinc/46/20/48/563462048.db2.gz KFHLSRHVAGRKKJ-UHFFFAOYSA-N 0 0 340.404 4.110 50 0 EIAARN O=c1[nH]c2ccccc2n1CCCSc1nc2ccccc2s1 ZINC000002898860 563462406 /nfs/dbraw/zinc/46/24/06/563462406.db2.gz QQQCCDQWCQUDBS-UHFFFAOYSA-N 0 0 341.461 4.122 50 0 EIAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1C(F)(F)F ZINC000002902297 563462753 /nfs/dbraw/zinc/46/27/53/563462753.db2.gz AKDMFINXRRSJKQ-ZROIWOOFSA-N 0 0 335.256 4.189 50 0 EIAARN O=S(=O)(Oc1ccccc1)c1cc(Cl)c(Cl)cc1Cl ZINC000002982989 563465596 /nfs/dbraw/zinc/46/55/96/563465596.db2.gz ZCHTYQBVAYYLRI-UHFFFAOYSA-N 0 0 337.611 4.415 50 0 EIAARN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C)c2)cc1 ZINC000002983664 563465831 /nfs/dbraw/zinc/46/58/31/563465831.db2.gz QWWBBNCYIBMBFB-UHFFFAOYSA-N 0 0 342.464 4.301 50 0 EIAARN CCOc1ccc(OCCCCOc2ccc(C=O)cc2OC)cc1 ZINC000002985175 563466432 /nfs/dbraw/zinc/46/64/32/563466432.db2.gz QTDDHAHGNRVSRE-UHFFFAOYSA-N 0 0 344.407 4.144 50 0 EIAARN COc1ccccc1OCCOCCOc1ccc2ccccc2c1 ZINC000002985086 563466437 /nfs/dbraw/zinc/46/64/37/563466437.db2.gz UINTXWQVVIFMGL-UHFFFAOYSA-N 0 0 338.403 4.323 50 0 EIAARN CCOc1cccc(OCCOCCOc2ccc(C)c(C)c2)c1 ZINC000002986793 563467102 /nfs/dbraw/zinc/46/71/02/563467102.db2.gz WVVFCVQLOFYUHD-UHFFFAOYSA-N 0 0 330.424 4.177 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000002989626 563467783 /nfs/dbraw/zinc/46/77/83/563467783.db2.gz ILZICKMKYVHDLH-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1 ZINC000002991298 563468119 /nfs/dbraw/zinc/46/81/19/563468119.db2.gz LGCUYACLYAMDAB-UHFFFAOYSA-N 0 0 342.464 4.301 50 0 EIAARN O=C(Nc1ccc(Oc2ccc(F)c(F)c2)nc1)c1ccccc1 ZINC000034840315 563478828 /nfs/dbraw/zinc/47/88/28/563478828.db2.gz USJLUNQSHVITEW-UHFFFAOYSA-N 0 0 326.302 4.404 50 0 EIAARN CCCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(=O)C(C)(C)C ZINC000034794099 563479624 /nfs/dbraw/zinc/47/96/24/563479624.db2.gz KJALQNDSHDRJQB-UHFFFAOYSA-N 0 0 345.443 4.031 50 0 EIAARN CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000034795009 563480030 /nfs/dbraw/zinc/48/00/30/563480030.db2.gz UYHJZNMZIBHLEY-UHFFFAOYSA-N 0 0 345.324 4.309 50 0 EIAARN CCn1nc(-c2cccc(F)c2)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000034903560 563481277 /nfs/dbraw/zinc/48/12/77/563481277.db2.gz ROHJJFRPSVPNGP-CQSZACIVSA-N 0 0 337.398 4.200 50 0 EIAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)C1CCC1 ZINC000034912542 563484933 /nfs/dbraw/zinc/48/49/33/563484933.db2.gz SDZTZBSJNAQPTP-UHFFFAOYSA-N 0 0 325.799 4.393 50 0 EIAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CC[C@H]1CCCO1 ZINC000046163852 563485379 /nfs/dbraw/zinc/48/53/79/563485379.db2.gz PGQBOMZPHBZCGS-QGZVFWFLSA-N 0 0 349.434 4.207 50 0 EIAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1C ZINC000003475027 563485390 /nfs/dbraw/zinc/48/53/90/563485390.db2.gz YRGABGRTDVLJOJ-UHFFFAOYSA-N 0 0 345.449 4.146 50 0 EIAARN CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cc(C)ccc1C ZINC000004312353 563499700 /nfs/dbraw/zinc/49/97/00/563499700.db2.gz COCYZZOCLQRWSI-UHFFFAOYSA-N 0 0 348.446 4.397 50 0 EIAARN CCC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000004802938 563511587 /nfs/dbraw/zinc/51/15/87/563511587.db2.gz WLNBFUOHXNVEPA-ZCPXKWAGSA-N 0 0 326.480 4.273 50 0 EIAARN Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(F)ccc12 ZINC000004981912 563517337 /nfs/dbraw/zinc/51/73/37/563517337.db2.gz NRWYUALUNVBRHS-UHFFFAOYSA-N 0 0 339.389 4.148 50 0 EIAARN CCc1nccn1-c1cc(C(C)C)nc2c(-c3ccccc3)cnn21 ZINC000005206742 563522854 /nfs/dbraw/zinc/52/28/54/563522854.db2.gz MJXZZZBUGALAIT-UHFFFAOYSA-N 0 0 331.423 4.268 50 0 EIAARN CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(C)c1 ZINC000005454276 563533224 /nfs/dbraw/zinc/53/32/24/563533224.db2.gz CFDMDTRVFVENRD-UHFFFAOYSA-N 0 0 349.463 4.442 50 0 EIAARN Cc1cc(Nc2ccc(C(N)=O)cc2)c2ccc(C(F)(F)F)cc2n1 ZINC000005520792 563536875 /nfs/dbraw/zinc/53/68/75/563536875.db2.gz PSMKDULOZGBZLL-UHFFFAOYSA-N 0 0 345.324 4.405 50 0 EIAARN C[C@H]1[C@H](c2cccc3ccccc32)c2cc3c(cc2O[C@@]1(C)O)OCO3 ZINC000005677597 563545227 /nfs/dbraw/zinc/54/52/27/563545227.db2.gz OKEDHTSICXDDKB-KGRLDLLASA-N 0 0 348.398 4.437 50 0 EIAARN COc1cc2cc(OC)c(Br)cc2cc1Br ZINC000005720283 563547028 /nfs/dbraw/zinc/54/70/28/563547028.db2.gz IXKYNFRCDWZQOX-UHFFFAOYSA-N 0 0 346.018 4.382 50 0 EIAARN O=C(NCc1ccccn1)c1ccccc1SCc1ccccc1 ZINC000005899733 563553442 /nfs/dbraw/zinc/55/34/42/563553442.db2.gz GMNGDAWBPMKJBC-UHFFFAOYSA-N 0 0 334.444 4.304 50 0 EIAARN FC(F)(F)c1cnc([C@H](c2nnc[nH]2)c2ccccc2)c(Cl)c1 ZINC000006530150 563571056 /nfs/dbraw/zinc/57/10/56/563571056.db2.gz HRPDXGVJRGAGTJ-GFCCVEGCSA-N 0 0 338.720 4.052 50 0 EIAARN C[C@@H](O)C1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000071910306 563574353 /nfs/dbraw/zinc/57/43/53/563574353.db2.gz NGEHUENTJKJMTE-CYBMUJFWSA-N 0 0 338.407 4.211 50 0 EIAARN Cc1ccnc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000006614819 563574731 /nfs/dbraw/zinc/57/47/31/563574731.db2.gz FICWKLBEYPTDRX-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN CN1N=C(c2ccc(Cl)cc2)C[C@H](c2ccc(Cl)cc2)C1=O ZINC000006638375 563575865 /nfs/dbraw/zinc/57/58/65/563575865.db2.gz GTVYCMJNPZUHDY-OAHLLOKOSA-N 0 0 333.218 4.343 50 0 EIAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc2ccccc21 ZINC000006662122 563576775 /nfs/dbraw/zinc/57/67/75/563576775.db2.gz HJTBOMBCRYFWSW-UHFFFAOYSA-N 0 0 343.386 4.162 50 0 EIAARN FC(F)(F)c1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000006701821 563580115 /nfs/dbraw/zinc/58/01/15/563580115.db2.gz JZQWXSMKMWNHIC-UHFFFAOYSA-N 0 0 334.253 4.151 50 0 EIAARN CCCSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000006702309 563580398 /nfs/dbraw/zinc/58/03/98/563580398.db2.gz ZHRMDWYJGUIIJI-UHFFFAOYSA-N 0 0 340.492 4.151 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000006715481 563582012 /nfs/dbraw/zinc/58/20/12/563582012.db2.gz MBLOXJLDEHFDFD-UHFFFAOYSA-N 0 0 347.821 4.142 50 0 EIAARN CCCn1c2ccccc2c2nnc(SCc3ccncc3)nc21 ZINC000006715951 563582312 /nfs/dbraw/zinc/58/23/12/563582312.db2.gz NMTMELPCRHRVPB-UHFFFAOYSA-N 0 0 335.436 4.077 50 0 EIAARN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1SC ZINC000006728988 563583436 /nfs/dbraw/zinc/58/34/36/563583436.db2.gz YJPZYTQHOCSLJK-UHFFFAOYSA-N 0 0 342.464 4.143 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 ZINC000006730127 563583490 /nfs/dbraw/zinc/58/34/90/563583490.db2.gz MBLLGGVEEQZARU-UHFFFAOYSA-N 0 0 340.423 4.101 50 0 EIAARN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1 ZINC000006743349 563584616 /nfs/dbraw/zinc/58/46/16/563584616.db2.gz COHNPUCUOODDOO-HNNXBMFYSA-N 0 0 331.799 4.150 50 0 EIAARN CC[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000006745835 563584966 /nfs/dbraw/zinc/58/49/66/563584966.db2.gz NSZGAVBLFMARSY-MRXNPFEDSA-N 0 0 330.815 4.212 50 0 EIAARN c1ccc(OCCn2c(CN3CCCCC3)nc3ccccc32)cc1 ZINC000006745995 563584982 /nfs/dbraw/zinc/58/49/82/563584982.db2.gz JTWZTGJNTXMLDU-UHFFFAOYSA-N 0 0 335.451 4.101 50 0 EIAARN O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccc(F)cc2)no1 ZINC000006872428 563589827 /nfs/dbraw/zinc/58/98/27/563589827.db2.gz VRUUWSZWWDAFHB-UHFFFAOYSA-N 0 0 332.718 4.092 50 0 EIAARN O=C(CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 ZINC000007158849 563596460 /nfs/dbraw/zinc/59/64/60/563596460.db2.gz LMFGBUFNPFZBAO-UHFFFAOYSA-N 0 0 336.825 4.427 50 0 EIAARN O=C(NCc1ccncc1)c1ccccc1SCc1ccccc1 ZINC000007367062 563600061 /nfs/dbraw/zinc/60/00/61/563600061.db2.gz FTRZQCGWSUTXLL-UHFFFAOYSA-N 0 0 334.444 4.304 50 0 EIAARN O=C(Nc1ccccc1-c1ccncc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097375010 563600415 /nfs/dbraw/zinc/60/04/15/563600415.db2.gz GVCIFLPVIBYHJN-LJQANCHMSA-N 0 0 347.422 4.231 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(C)c(C)s1 ZINC000002730160 563609090 /nfs/dbraw/zinc/60/90/90/563609090.db2.gz POPZFJZMQQPYGF-UHFFFAOYSA-N 0 0 337.466 4.472 50 0 EIAARN COC(C(=O)NCc1ccc(C)cc1)(c1ccccc1)c1ccccc1 ZINC000002736166 563609792 /nfs/dbraw/zinc/60/97/92/563609792.db2.gz PDYBKFCFDUMHCM-UHFFFAOYSA-N 0 0 345.442 4.201 50 0 EIAARN O=C(NC1CCCCC1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000002759866 563612337 /nfs/dbraw/zinc/61/23/37/563612337.db2.gz RCPNXGDZTHLPKS-UHFFFAOYSA-N 0 0 339.435 4.410 50 0 EIAARN CC(C)(C)c1noc(CCC(=O)N2CCCCC[C@@H]2c2ccco2)n1 ZINC000071914828 563615152 /nfs/dbraw/zinc/61/51/52/563615152.db2.gz BACXHQGSIWKYIJ-CQSZACIVSA-N 0 0 345.443 4.037 50 0 EIAARN O=C(Cc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000002801094 563615480 /nfs/dbraw/zinc/61/54/80/563615480.db2.gz WTNIIJUKEKTRPR-UHFFFAOYSA-N 0 0 327.855 4.364 50 0 EIAARN CCOc1cc(C(=O)Nc2ccccc2F)ccc1OC(F)F ZINC000002796846 563616927 /nfs/dbraw/zinc/61/69/27/563616927.db2.gz COSADMBVSZWMEU-UHFFFAOYSA-N 0 0 325.286 4.078 50 0 EIAARN CSCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000071916619 563621682 /nfs/dbraw/zinc/62/16/82/563621682.db2.gz FGMVJIKFSFKJOG-HNNXBMFYSA-N 0 0 344.480 4.492 50 0 EIAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)NC1CCCCC1 ZINC000008375248 563628218 /nfs/dbraw/zinc/62/82/18/563628218.db2.gz NLNQAJDQQONLJD-UHFFFAOYSA-N 0 0 342.464 4.087 50 0 EIAARN Fc1ccccc1-c1nn2c(CSc3ccccc3)nnc2s1 ZINC000008393119 563628985 /nfs/dbraw/zinc/62/89/85/563628985.db2.gz BRLVZEHXPIGOJO-UHFFFAOYSA-N 0 0 342.424 4.284 50 0 EIAARN Cc1ccccc1-c1nnc2sc(CCCc3ccccc3)nn21 ZINC000008392782 563629048 /nfs/dbraw/zinc/62/90/48/563629048.db2.gz FUQZTQFTLDUBKO-UHFFFAOYSA-N 0 0 334.448 4.337 50 0 EIAARN CCc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000008434654 563630090 /nfs/dbraw/zinc/63/00/90/563630090.db2.gz RAUKAGQRTRNAIW-UHFFFAOYSA-N 0 0 334.375 4.347 50 0 EIAARN Cc1cc(C)nc(NC(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000008548801 563631870 /nfs/dbraw/zinc/63/18/70/563631870.db2.gz FOKQXAJZJZLYHF-VMPITWQZSA-N 0 0 331.213 4.113 50 0 EIAARN CC(C)(C)c1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn21 ZINC000008706358 563636123 /nfs/dbraw/zinc/63/61/23/563636123.db2.gz LDCUPSZVFSWFAJ-UHFFFAOYSA-N 0 0 327.240 4.457 50 0 EIAARN COc1ccccc1NC(=O)Nc1nnc(CC2=CCCCC2)s1 ZINC000008738246 563638444 /nfs/dbraw/zinc/63/84/44/563638444.db2.gz BQMDITFHHZTTCS-UHFFFAOYSA-N 0 0 344.440 4.234 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000012138246 563654282 /nfs/dbraw/zinc/65/42/82/563654282.db2.gz MADXEUMTBKLHBE-GFCCVEGCSA-N 0 0 330.815 4.121 50 0 EIAARN CCc1ccc2oc(C(=O)Nc3ccnn3Cc3ccco3)c(C)c2c1 ZINC000032593418 563662678 /nfs/dbraw/zinc/66/26/78/563662678.db2.gz OIAPLYAEFLSFFT-UHFFFAOYSA-N 0 0 349.390 4.394 50 0 EIAARN Cc1ncsc1C(=O)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000012571349 563663451 /nfs/dbraw/zinc/66/34/51/563663451.db2.gz NJCZPNRLXVPEFV-OAHLLOKOSA-N 0 0 332.444 4.076 50 0 EIAARN O=C(CSc1ccccc1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000012585263 563664172 /nfs/dbraw/zinc/66/41/72/563664172.db2.gz USYMCQKQSHYGTF-KRWDZBQOSA-N 0 0 344.455 4.021 50 0 EIAARN Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C2CCCC2)cc1C ZINC000012595454 563664624 /nfs/dbraw/zinc/66/46/24/563664624.db2.gz BRXPPKXDRLJCSG-IBGZPJMESA-N 0 0 337.467 4.173 50 0 EIAARN CSCC[C@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 ZINC000012602072 563665036 /nfs/dbraw/zinc/66/50/36/563665036.db2.gz VTKRKOKHBIQKNX-KRWDZBQOSA-N 0 0 339.464 4.096 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)N(C)CC[C@@H](O)c1ccccc1 ZINC000012703005 563667946 /nfs/dbraw/zinc/66/79/46/563667946.db2.gz PDHOCQLYMWRZRR-GOSISDBHSA-N 0 0 337.419 4.245 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1C ZINC000012796243 563672717 /nfs/dbraw/zinc/67/27/17/563672717.db2.gz NFMVNKIKLNWKQH-ZDUSSCGKSA-N 0 0 343.496 4.244 50 0 EIAARN CCOc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1OC ZINC000012797335 563673032 /nfs/dbraw/zinc/67/30/32/563673032.db2.gz HCOAAUOYXWASLM-UHFFFAOYSA-N 0 0 342.420 4.264 50 0 EIAARN Cc1ccc(F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000012800839 563673743 /nfs/dbraw/zinc/67/37/43/563673743.db2.gz ONRXGBVFJBXJAC-UHFFFAOYSA-N 0 0 342.345 4.500 50 0 EIAARN COc1cccc(-c2nc(C(=O)Oc3ccccc3)cs2)c1OC ZINC000012853442 563675569 /nfs/dbraw/zinc/67/55/69/563675569.db2.gz RMYVANKDOZQYNG-UHFFFAOYSA-N 0 0 341.388 4.047 50 0 EIAARN CCOc1ccc(OCc2ccc(C(=O)Nc3cccnc3)cc2)cc1 ZINC000012949522 563678474 /nfs/dbraw/zinc/67/84/74/563678474.db2.gz IJOIACCXGSKVRI-UHFFFAOYSA-N 0 0 348.402 4.312 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1CC(=O)NCc1cccc(Cl)c1 ZINC000012976818 563680573 /nfs/dbraw/zinc/68/05/73/563680573.db2.gz GDBJFRWLLMHENK-MRXNPFEDSA-N 0 0 348.899 4.027 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1ccc(CC)cc1)O[C@H](C)C2 ZINC000012978466 563680922 /nfs/dbraw/zinc/68/09/22/563680922.db2.gz HMAJNVICOWNKQY-CYBMUJFWSA-N 0 0 325.408 4.223 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc(C)cc(C)c1)O[C@@H](C)C2 ZINC000012978460 563680972 /nfs/dbraw/zinc/68/09/72/563680972.db2.gz USKSXKOBMYKFNM-AWEZNQCLSA-N 0 0 325.408 4.278 50 0 EIAARN CC(C)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 ZINC000012981514 563681305 /nfs/dbraw/zinc/68/13/05/563681305.db2.gz HNTQPRTUNIGCHE-UHFFFAOYSA-N 0 0 330.453 4.020 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1ccc(OCc2cscn2)cc1 ZINC000012992032 563682636 /nfs/dbraw/zinc/68/26/36/563682636.db2.gz XMRXAHOWRNWGTG-UHFFFAOYSA-N 0 0 346.358 4.253 50 0 EIAARN O=C(CCSCCOc1ccccc1)Nc1cccc(Cl)c1 ZINC000013019534 563685430 /nfs/dbraw/zinc/68/54/30/563685430.db2.gz XODQQMMOJPDSNG-UHFFFAOYSA-N 0 0 335.856 4.481 50 0 EIAARN O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000013055722 563686367 /nfs/dbraw/zinc/68/63/67/563686367.db2.gz OIWCBYBVRZEGJY-QWHCGFSZSA-N 0 0 341.282 4.444 50 0 EIAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccccc1 ZINC000013123933 563689155 /nfs/dbraw/zinc/68/91/55/563689155.db2.gz BZMJNMGXGDKLCI-UHFFFAOYSA-N 0 0 335.388 4.193 50 0 aggregator EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2Cl)C1 ZINC000013331321 563696363 /nfs/dbraw/zinc/69/63/63/563696363.db2.gz VBWLZRXCDZUBDD-NXEZZACHSA-N 0 0 330.653 4.221 50 0 EIAARN CCc1noc(C)c1C(=O)N[C@H](CC)C12CC3CC(CC(C3)C1)C2 ZINC000013330746 563696400 /nfs/dbraw/zinc/69/64/00/563696400.db2.gz UJAVGXWPUQXFFC-SJFHUFEGSA-N 0 0 330.472 4.270 50 0 EIAARN CCCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000013331575 563696705 /nfs/dbraw/zinc/69/67/05/563696705.db2.gz SRXGVSZGEADLGB-UHFFFAOYSA-N 0 0 342.870 4.255 50 0 EIAARN CC(C)(C)c1nc2cc(NC(=O)Cc3ccccc3F)ccc2[nH]1 ZINC000032721223 563703165 /nfs/dbraw/zinc/70/31/65/563703165.db2.gz CFTKXVUEUINIOT-UHFFFAOYSA-N 0 0 325.387 4.181 50 0 EIAARN COc1cccc(CC(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c1 ZINC000032721218 563703279 /nfs/dbraw/zinc/70/32/79/563703279.db2.gz COSQTXYPWQIQTO-UHFFFAOYSA-N 0 0 337.423 4.050 50 0 EIAARN Clc1ccccc1-c1nnc2ccc(NCCc3ccccc3)nn21 ZINC000013629719 563704829 /nfs/dbraw/zinc/70/48/29/563704829.db2.gz BJHRKVIBHRRPQM-UHFFFAOYSA-N 0 0 349.825 4.099 50 0 EIAARN CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1C ZINC000013644526 563706400 /nfs/dbraw/zinc/70/64/00/563706400.db2.gz UAGPCUDSVIKLCS-UHFFFAOYSA-N 0 0 334.419 4.006 50 0 EIAARN CCc1nn2c(nc(C)cc2-n2nc(C)cc2C)c1-c1ccc(F)cc1 ZINC000013693226 563712442 /nfs/dbraw/zinc/71/24/42/563712442.db2.gz RXPJRAYZLOIAKE-UHFFFAOYSA-N 0 0 349.413 4.209 50 0 EIAARN C[C@H]1CC(C)(C)N2C(=O)C(=C3SC(=S)NC3=O)c3cccc1c32 ZINC000013768306 563721793 /nfs/dbraw/zinc/72/17/93/563721793.db2.gz FGBZFYGJDSKZGE-WBGQNJONSA-N 0 0 344.461 4.018 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000013843313 563725997 /nfs/dbraw/zinc/72/59/97/563725997.db2.gz OZJDDQSDIZHQKN-UHFFFAOYSA-N 0 0 336.391 4.213 50 0 EIAARN O=c1oc2ccc(Cl)cc2n1Cc1ccc(OC(F)(F)F)cc1 ZINC000032776734 563728374 /nfs/dbraw/zinc/72/83/74/563728374.db2.gz CMVZAOSFTWKSEC-UHFFFAOYSA-N 0 0 343.688 4.195 50 0 EIAARN O=S(=O)(NCCCCc1ccccc1)c1ccc2ccccc2c1 ZINC000013938334 563731297 /nfs/dbraw/zinc/73/12/97/563731297.db2.gz VELKBJAZHQAHBY-UHFFFAOYSA-N 0 0 339.460 4.141 50 0 EIAARN CCCCn1nc(C)c2c1nc(-c1cccs1)cc2C(=O)OC ZINC000013961180 563733525 /nfs/dbraw/zinc/73/35/25/563733525.db2.gz MHVFPJFMLZNPIY-UHFFFAOYSA-N 0 0 329.425 4.055 50 0 EIAARN COc1ccc(CCOC(=O)Cc2coc3cc(C)c(C)cc23)cc1 ZINC000004493639 563733824 /nfs/dbraw/zinc/73/38/24/563733824.db2.gz RWSDDYJWWVBGMY-UHFFFAOYSA-N 0 0 338.403 4.387 50 0 EIAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000032796554 563737701 /nfs/dbraw/zinc/73/77/01/563737701.db2.gz YEEJCMKJWJGDBI-KRWDZBQOSA-N 0 0 346.430 4.494 50 0 EIAARN c1ccc2sc(CSc3nnc(CC4CCCC4)[nH]3)nc2c1 ZINC000014093467 563739307 /nfs/dbraw/zinc/73/93/07/563739307.db2.gz VJLVUNFYRGTHGO-UHFFFAOYSA-N 0 0 330.482 4.439 50 0 EIAARN CC(=O)NCc1ccc(-c2csc(-c3cccc(Cl)c3)n2)o1 ZINC000014181661 563747315 /nfs/dbraw/zinc/74/73/15/563747315.db2.gz UHCHSZAFGXESDU-UHFFFAOYSA-N 0 0 332.812 4.360 50 0 EIAARN C[C@@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000014186008 563748525 /nfs/dbraw/zinc/74/85/25/563748525.db2.gz OSHOIJDJLVSJRZ-LLVKDONJSA-N 0 0 346.452 4.431 50 0 EIAARN CCCn1nc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1=O ZINC000014199903 563750115 /nfs/dbraw/zinc/75/01/15/563750115.db2.gz MHKSNLGJXFNWGG-UHFFFAOYSA-N 0 0 341.455 4.152 50 0 EIAARN COc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC(C)C ZINC000014249843 563755577 /nfs/dbraw/zinc/75/55/77/563755577.db2.gz TYMMQHBVHPMJSK-UHFFFAOYSA-N 0 0 333.815 4.066 50 0 EIAARN CC(C)(C)c1csc(NC(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000032833325 563759628 /nfs/dbraw/zinc/75/96/28/563759628.db2.gz KYOSUJZTWJJRGW-UHFFFAOYSA-N 0 0 345.399 4.487 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000014566714 563760564 /nfs/dbraw/zinc/76/05/64/563760564.db2.gz WQPWYZVROLKMCV-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000032845192 563761638 /nfs/dbraw/zinc/76/16/38/563761638.db2.gz WMKAMUUEYFHRRJ-UWVGGRQHSA-N 0 0 340.320 4.364 50 0 EIAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1ccccn1 ZINC000032845908 563762013 /nfs/dbraw/zinc/76/20/13/563762013.db2.gz MZZJIHWLTQBVSH-HXUWFJFHSA-N 0 0 328.371 4.347 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000014721901 563763793 /nfs/dbraw/zinc/76/37/93/563763793.db2.gz NNEXFZMFBLQHKC-UHFFFAOYSA-N 0 0 333.343 4.408 50 0 EIAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1F ZINC000014734121 563763832 /nfs/dbraw/zinc/76/38/32/563763832.db2.gz SWKWWFKUXYCVDG-UHFFFAOYSA-N 0 0 339.366 4.468 50 0 EIAARN COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](C)c1ccccc1C ZINC000032863049 563765252 /nfs/dbraw/zinc/76/52/52/563765252.db2.gz VJQZPTABELPTFB-CVEARBPZSA-N 0 0 326.440 4.433 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000014849179 563766076 /nfs/dbraw/zinc/76/60/76/563766076.db2.gz GXAPJYWOKCRVHE-CQSZACIVSA-N 0 0 342.826 4.178 50 0 EIAARN Clc1nc2c(s1)c(Br)ccc2Br ZINC000014985058 563770575 /nfs/dbraw/zinc/77/05/75/563770575.db2.gz TXWNWETWXGSSSJ-UHFFFAOYSA-N 0 0 327.428 4.475 50 0 EIAARN COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@H]32)cc1 ZINC000015017920 563773341 /nfs/dbraw/zinc/77/33/41/563773341.db2.gz NCAZXJBAFALTTE-WBAXXEDZSA-N 0 0 343.810 4.371 50 0 EIAARN COc1ccc(OC)c([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)c1 ZINC000015018102 563773353 /nfs/dbraw/zinc/77/33/53/563773353.db2.gz KKBIKUIPEXXCEZ-KPOBHBOGSA-N 0 0 325.408 4.257 50 0 EIAARN Cc1ccc(C[C@@H]2c3cc(Br)ccc3N(C)C2=O)cc1 ZINC000015017793 563773361 /nfs/dbraw/zinc/77/33/61/563773361.db2.gz QGENJHYAICJEMU-OAHLLOKOSA-N 0 0 330.225 4.060 50 0 EIAARN O=C1NC(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)S1 ZINC000015055857 563774214 /nfs/dbraw/zinc/77/42/14/563774214.db2.gz URGOMEUIOHDRCV-DHDCSXOGSA-N 0 0 345.807 4.243 50 0 EIAARN COc1cccc(CC[C@H]2CCCN(C(=O)c3ccoc3C)C2)c1 ZINC000015076251 563776261 /nfs/dbraw/zinc/77/62/61/563776261.db2.gz DJIKNBONJIQDPP-QGZVFWFLSA-N 0 0 327.424 4.082 50 0 EIAARN Cc1oc(-c2cccc(F)c2F)nc1CN(C)[C@@H](C)c1ccon1 ZINC000015074130 563776313 /nfs/dbraw/zinc/77/63/13/563776313.db2.gz DVQKWJVKXSYAMI-JTQLQIEISA-N 0 0 333.338 4.109 50 0 EIAARN CSc1ncccc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000015309397 563781814 /nfs/dbraw/zinc/78/18/14/563781814.db2.gz AZWVNOJRJYSPED-UHFFFAOYSA-N 0 0 327.453 4.046 50 0 EIAARN O=c1[nH]c2ccc(NCc3ccc(-c4ccccc4Cl)o3)cc2[nH]1 ZINC000015356884 563783498 /nfs/dbraw/zinc/78/34/98/563783498.db2.gz PPYJRGPAVQSSDO-UHFFFAOYSA-N 0 0 339.782 4.382 50 0 EIAARN O=C(Nc1cccc2cccnc21)[C@H]1COc2ccc(Cl)cc2C1 ZINC000015612028 563788465 /nfs/dbraw/zinc/78/84/65/563788465.db2.gz DLOKRBWSFJPNJW-CQSZACIVSA-N 0 0 338.794 4.078 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000015625317 563788696 /nfs/dbraw/zinc/78/86/96/563788696.db2.gz UOHMREWHPXPOLV-UHFFFAOYSA-N 0 0 331.799 4.086 50 0 EIAARN Cn1cccc1[C@H]1CCCCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000032902665 563789506 /nfs/dbraw/zinc/78/95/06/563789506.db2.gz UUSGATOOMZCXEG-HXUWFJFHSA-N 0 0 335.451 4.193 50 0 EIAARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1NC(=O)c1ccco1 ZINC000015796759 563792546 /nfs/dbraw/zinc/79/25/46/563792546.db2.gz FBEYZLISAGQMKT-XJKSGUPXSA-N 0 0 340.423 4.149 50 0 EIAARN COc1cccc(CC(=O)Nc2ccc(Cl)c3cccnc23)c1 ZINC000032906626 563793086 /nfs/dbraw/zinc/79/30/86/563793086.db2.gz PEMYXNNCGFJFMN-UHFFFAOYSA-N 0 0 326.783 4.078 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC=C2)cc1 ZINC000015838513 563794285 /nfs/dbraw/zinc/79/42/85/563794285.db2.gz OTBPHJNKRPQWAU-UHFFFAOYSA-N 0 0 349.386 4.180 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1OC ZINC000015837526 563794464 /nfs/dbraw/zinc/79/44/64/563794464.db2.gz JQPCUEWLFPHJKM-CYBMUJFWSA-N 0 0 332.425 4.134 50 0 EIAARN CCCCSc1nc(=O)n(-c2ccc(OCC)cc2)c2c1CCC2 ZINC000015840506 563795531 /nfs/dbraw/zinc/79/55/31/563795531.db2.gz JSXHOBLXQHWHJA-UHFFFAOYSA-N 0 0 344.480 4.012 50 0 EIAARN Cc1ccc(-n2c3c(c(SCc4ccccc4)nc2=O)CCC3)cc1 ZINC000015840415 563795557 /nfs/dbraw/zinc/79/55/57/563795557.db2.gz HZIHBCAFESHKCH-UHFFFAOYSA-N 0 0 348.471 4.322 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1ccnn1C1CCCCC1 ZINC000015997570 563801598 /nfs/dbraw/zinc/80/15/98/563801598.db2.gz MOLWYWFJEXGFCS-UHFFFAOYSA-N 0 0 333.819 4.059 50 0 EIAARN CSc1ccc(CN(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000032913837 563807075 /nfs/dbraw/zinc/80/70/75/563807075.db2.gz VZIISFIPHLSAFM-UHFFFAOYSA-N 0 0 339.464 4.399 50 0 EIAARN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 ZINC000032914216 563811277 /nfs/dbraw/zinc/81/12/77/563811277.db2.gz QESPPESNOULDFD-SUMWQHHRSA-N 0 0 345.402 4.082 50 0 EIAARN Cc1cc(C)c(NC(=O)CN(C)Cc2ccccc2C)c(Cl)c1 ZINC000016585824 563815435 /nfs/dbraw/zinc/81/54/35/563815435.db2.gz ZBVOAQPLAZEHEI-UHFFFAOYSA-N 0 0 330.859 4.336 50 0 EIAARN COc1ccc(OC)c2c(C)cc(NCc3ccccc3F)nc12 ZINC000016671189 563820203 /nfs/dbraw/zinc/82/02/03/563820203.db2.gz BWAHAJWHMKMYOY-UHFFFAOYSA-N 0 0 326.371 4.312 50 0 EIAARN COc1ccc([C@H](O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000016675875 563820278 /nfs/dbraw/zinc/82/02/78/563820278.db2.gz CHSNMVQHOCHPDK-OAHLLOKOSA-N 0 0 334.828 4.051 50 0 EIAARN COc1ccc(C(=O)c2oc3ccccc3c2N)cc1Br ZINC000016751275 563822501 /nfs/dbraw/zinc/82/25/01/563822501.db2.gz CUTPWWGHNBUNOT-UHFFFAOYSA-N 0 0 346.180 4.017 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C(C)(C)C ZINC000016780603 563823734 /nfs/dbraw/zinc/82/37/34/563823734.db2.gz WLUGDTOOODFEPO-UHFFFAOYSA-N 0 0 347.480 4.410 50 0 EIAARN Cc1csc(NC(=O)c2ccc(SCc3cccnc3)cc2)n1 ZINC000032924055 563825310 /nfs/dbraw/zinc/82/53/10/563825310.db2.gz AERGFGJTZPYEMG-UHFFFAOYSA-N 0 0 341.461 4.391 50 0 EIAARN COc1cccc(CNC(=O)N(C)Cc2ccc(C(C)C)cc2)c1 ZINC000017070024 563832702 /nfs/dbraw/zinc/83/27/02/563832702.db2.gz DNTANUTUNGMBNC-UHFFFAOYSA-N 0 0 326.440 4.160 50 0 EIAARN CCn1ncc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1C ZINC000017072021 563835381 /nfs/dbraw/zinc/83/53/81/563835381.db2.gz IATHEEZYNIVWMG-KGENOOAVSA-N 0 0 345.446 4.068 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cc1C ZINC000017072228 563835648 /nfs/dbraw/zinc/83/56/48/563835648.db2.gz WXQJTJQGEDEYBD-UHFFFAOYSA-N 0 0 347.333 4.262 50 0 EIAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(Cl)c1Cl ZINC000032931276 563842657 /nfs/dbraw/zinc/84/26/57/563842657.db2.gz JUSWHZMTRCQHPV-BXUZGUMPSA-N 0 0 330.255 4.319 50 0 EIAARN O=C1c2ccccc2C(=CNc2ccccc2)C(=O)N1c1ccccc1 ZINC000017731304 563845490 /nfs/dbraw/zinc/84/54/90/563845490.db2.gz YHVYPUTXMQMIPR-HMMYKYKNSA-N 0 0 340.382 4.327 50 0 EIAARN Cc1ccc([C@@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@H](C)C4)nc3C2)cc1 ZINC000017948741 563846188 /nfs/dbraw/zinc/84/61/88/563846188.db2.gz MFQYKKPLFPHEMD-JZXOWHBKSA-N 0 0 349.478 4.180 50 0 EIAARN CCCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)[nH]1 ZINC000018093811 563848168 /nfs/dbraw/zinc/84/81/68/563848168.db2.gz BWQVPJOMOLXFHB-UHFFFAOYSA-N 0 0 340.452 4.031 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000019923736 563856918 /nfs/dbraw/zinc/85/69/18/563856918.db2.gz PDMCIHTVVSQTPI-UHFFFAOYSA-N 0 0 347.821 4.142 50 0 EIAARN CC(C)Cc1noc(CNc2ccccc2N2CCCCCC2)n1 ZINC000071982124 563858820 /nfs/dbraw/zinc/85/88/20/563858820.db2.gz GGZUJXPHXHUYJR-UHFFFAOYSA-N 0 0 328.460 4.261 50 0 EIAARN CC(=O)[C@@H](C)OC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000022142117 563862232 /nfs/dbraw/zinc/86/22/32/563862232.db2.gz KQNCLDUSVGKUEY-CQSZACIVSA-N 0 0 341.432 4.200 50 0 EIAARN C[C@H](c1nc2ccccc2s1)N(C)Cc1nnc(-c2ccco2)o1 ZINC000023990016 563867886 /nfs/dbraw/zinc/86/78/86/563867886.db2.gz XJUYERCZQYPYSA-LLVKDONJSA-N 0 0 340.408 4.132 50 0 EIAARN COCc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000024040128 563868446 /nfs/dbraw/zinc/86/84/46/563868446.db2.gz LUGFLBPLBMHSJE-NSHDSACASA-N 0 0 345.345 4.348 50 0 EIAARN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1nc(-c2cccs2)no1 ZINC000024250683 563870156 /nfs/dbraw/zinc/87/01/56/563870156.db2.gz IBPVFFGRSKZYPW-SNVBAGLBSA-N 0 0 335.379 4.269 50 0 EIAARN CCc1cccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)c1 ZINC000024368745 563871062 /nfs/dbraw/zinc/87/10/62/563871062.db2.gz QUWGHINETYOHKV-UHFFFAOYSA-N 0 0 338.329 4.198 50 0 EIAARN NC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000024434938 563871310 /nfs/dbraw/zinc/87/13/10/563871310.db2.gz KIYOCAFYOBUQJU-UHFFFAOYSA-N 0 0 331.375 4.097 50 0 EIAARN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccnc2)cc1 ZINC000024535441 563872269 /nfs/dbraw/zinc/87/22/69/563872269.db2.gz IHLGNEORKBZGNM-SFHVURJKSA-N 0 0 325.412 4.239 50 0 EIAARN C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccccc1 ZINC000024605900 563873196 /nfs/dbraw/zinc/87/31/96/563873196.db2.gz YCPITEVZUJIAPE-OAHLLOKOSA-N 0 0 331.506 4.217 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)Sc2nncc3ccccc32)cc1F ZINC000024716071 563874457 /nfs/dbraw/zinc/87/44/57/563874457.db2.gz HHXRCCMCYOTCME-LBPRGKRZSA-N 0 0 341.411 4.197 50 0 EIAARN Cc1occc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000024748974 563874741 /nfs/dbraw/zinc/87/47/41/563874741.db2.gz XRWHLTOKXFLXFN-IBGZPJMESA-N 0 0 345.402 4.178 50 0 EIAARN Cc1c(C(=O)NC[C@@H](C)c2ccccc2)cnn1-c1ccc(C)cc1 ZINC000024759494 563875151 /nfs/dbraw/zinc/87/51/51/563875151.db2.gz VHESZXQEYORZME-MRXNPFEDSA-N 0 0 333.435 4.023 50 0 EIAARN Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)cnn1-c1cccc(C)c1 ZINC000024768998 563875444 /nfs/dbraw/zinc/87/54/44/563875444.db2.gz QUYQHQJSANVJIA-CQSZACIVSA-N 0 0 337.398 4.119 50 0 EIAARN O=C(Nc1ccccc1)c1csc(COc2ccc(F)cc2)n1 ZINC000024864440 563876959 /nfs/dbraw/zinc/87/69/59/563876959.db2.gz LZFVQVMUOPSHKI-UHFFFAOYSA-N 0 0 328.368 4.114 50 0 EIAARN COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)cc(Cl)c1OC ZINC000024927290 563877905 /nfs/dbraw/zinc/87/79/05/563877905.db2.gz HYSOUEQIBOYLHW-UHFFFAOYSA-N 0 0 346.770 4.059 50 0 EIAARN CN(C(=O)COc1ccc2ccccc2c1)c1nc2ccccc2o1 ZINC000024927454 563877922 /nfs/dbraw/zinc/87/79/22/563877922.db2.gz JWLGAZWIYYJTHP-UHFFFAOYSA-N 0 0 332.359 4.023 50 0 EIAARN Cc1ccc(S[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000024958624 563878307 /nfs/dbraw/zinc/87/83/07/563878307.db2.gz XDCWDDBIHIBGOQ-CYBMUJFWSA-N 0 0 337.452 4.359 50 0 EIAARN Cc1c([C@H](C)NC(=O)c2sc3ccccc3c2Cl)cnn1C ZINC000025000868 563879707 /nfs/dbraw/zinc/87/97/07/563879707.db2.gz NBUXBWWCXDQXCA-VIFPVBQESA-N 0 0 333.844 4.088 50 0 EIAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(Br)c1 ZINC000025067100 563880804 /nfs/dbraw/zinc/88/08/04/563880804.db2.gz GRGPLUBBNFCJEN-UHFFFAOYSA-N 0 0 348.225 4.153 50 0 EIAARN CCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1 ZINC000025122806 563881295 /nfs/dbraw/zinc/88/12/95/563881295.db2.gz SMPWCUOVEUNXDP-UHFFFAOYSA-N 0 0 325.799 4.397 50 0 EIAARN CC(C)OCc1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1 ZINC000025172458 563881952 /nfs/dbraw/zinc/88/19/52/563881952.db2.gz KAGVWZCNWLQESR-UHFFFAOYSA-N 0 0 349.434 4.109 50 0 EIAARN CCC(CC)c1nnc(NC(=O)CCc2cc(C(C)=O)c(C)o2)s1 ZINC000025319489 563883300 /nfs/dbraw/zinc/88/33/00/563883300.db2.gz ZDJQWYALAXRNGS-UHFFFAOYSA-N 0 0 349.456 4.117 50 0 EIAARN CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1 ZINC000025377100 563884088 /nfs/dbraw/zinc/88/40/88/563884088.db2.gz SECSLRQCFAMMLN-UHFFFAOYSA-N 0 0 333.313 4.392 50 0 EIAARN C[C@@H](NC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)c(F)c1 ZINC000043485880 563884411 /nfs/dbraw/zinc/88/44/11/563884411.db2.gz WILGXBXVSPXPEI-CYBMUJFWSA-N 0 0 345.393 4.448 50 0 EIAARN CC(C)(C)c1csc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000025447324 563885153 /nfs/dbraw/zinc/88/51/53/563885153.db2.gz ITYDFKQPDJZXAO-UHFFFAOYSA-N 0 0 344.415 4.222 50 0 EIAARN O=C(CCC(=O)c1cccs1)OCc1csc(-c2ccco2)n1 ZINC000025454607 563885196 /nfs/dbraw/zinc/88/51/96/563885196.db2.gz PHISRPWNAMKZDM-UHFFFAOYSA-N 0 0 347.417 4.171 50 0 EIAARN COc1ccc(CN(C)C(=O)C2(c3cccc(Cl)c3)CCC2)cc1 ZINC000025474851 563885342 /nfs/dbraw/zinc/88/53/42/563885342.db2.gz YGZAZDPUIRIFES-UHFFFAOYSA-N 0 0 343.854 4.429 50 0 EIAARN O=C1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000025692854 563887276 /nfs/dbraw/zinc/88/72/76/563887276.db2.gz KAEAITWIXLBOTC-VJBWXMMDSA-N 0 0 328.411 4.415 50 0 EIAARN O=C(CSCc1cccc(Cl)c1)Nc1nc2c(s1)CCC2 ZINC000025767942 563888374 /nfs/dbraw/zinc/88/83/74/563888374.db2.gz AAKUZMJYWYRMGL-UHFFFAOYSA-N 0 0 338.885 4.157 50 0 EIAARN COc1ccc(OCCOc2ccc(C)c3c2C(=O)C[C@H]3C)cc1 ZINC000025823250 563888628 /nfs/dbraw/zinc/88/86/28/563888628.db2.gz VVSJMTZMSRRSOB-CQSZACIVSA-N 0 0 326.392 4.151 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc(F)c(F)c1 ZINC000026128541 563890203 /nfs/dbraw/zinc/89/02/03/563890203.db2.gz QHWNSGQRDSGJIM-UHFFFAOYSA-N 0 0 330.359 4.330 50 0 EIAARN CCOc1cc2c(cc1NC(=O)CCc1cccs1)O[C@@H](C)C2 ZINC000026886965 563893839 /nfs/dbraw/zinc/89/38/39/563893839.db2.gz LFDPXVHBLMTOBU-LBPRGKRZSA-N 0 0 331.437 4.042 50 0 EIAARN COc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2nc(C)cs2)cc1 ZINC000072271460 563896231 /nfs/dbraw/zinc/89/62/31/563896231.db2.gz TXDBEYKKWRXSBO-PBHICJAKSA-N 0 0 344.480 4.317 50 0 EIAARN S=C(Nc1ccccc1Oc1ccccc1)NN1CCCCC1 ZINC000070013251 563897668 /nfs/dbraw/zinc/89/76/68/563897668.db2.gz MFSSPICJSWFLGO-UHFFFAOYSA-N 0 0 327.453 4.166 50 0 EIAARN COCc1c(C(=O)Nc2ncccc2C)sc2cccc(F)c21 ZINC000027651456 563898156 /nfs/dbraw/zinc/89/81/56/563898156.db2.gz GJZAOOULBTXOGN-UHFFFAOYSA-N 0 0 330.384 4.143 50 0 EIAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC ZINC000027824505 563899873 /nfs/dbraw/zinc/89/98/73/563899873.db2.gz KWILDCFQQZTKPQ-UHFFFAOYSA-N 0 0 347.908 4.248 50 0 EIAARN CSc1ncc(Cl)c(-c2nnc(-c3ccccc3Cl)o2)n1 ZINC000027995579 563901084 /nfs/dbraw/zinc/90/10/84/563901084.db2.gz ADEKIWSNXIFHNF-UHFFFAOYSA-N 0 0 339.207 4.222 50 0 EIAARN Cc1nc2ccccc2nc1S[C@H](C)c1nc(C(C)(C)C)no1 ZINC000028192448 563901529 /nfs/dbraw/zinc/90/15/29/563901529.db2.gz QFIXIPNCLWDHFG-LLVKDONJSA-N 0 0 328.441 4.472 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3NC2CCCC2)cc1Cl ZINC000028406051 563902802 /nfs/dbraw/zinc/90/28/02/563902802.db2.gz ZPEPLFZPUGAAQA-UHFFFAOYSA-N 0 0 327.819 4.132 50 0 EIAARN COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(OC)c1C ZINC000028667492 563903722 /nfs/dbraw/zinc/90/37/22/563903722.db2.gz WSDFRWITOXXHPO-ZDUSSCGKSA-N 0 0 339.391 4.249 50 0 EIAARN CCCc1sc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CC ZINC000028647586 563903756 /nfs/dbraw/zinc/90/37/56/563903756.db2.gz ZFFLRFYYSHHFMZ-UHFFFAOYSA-N 0 0 331.437 4.287 50 0 EIAARN CN(Cc1nc2ccccc2[nH]1)C(=O)Cc1c(Cl)cccc1Cl ZINC000029329790 563905628 /nfs/dbraw/zinc/90/56/28/563905628.db2.gz NDEDIGYZISQNHW-UHFFFAOYSA-N 0 0 348.233 4.071 50 0 EIAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000029515693 563907051 /nfs/dbraw/zinc/90/70/51/563907051.db2.gz FGPBGMZFUHHYCY-TXEJJXNPSA-N 0 0 336.501 4.159 50 0 EIAARN COc1ccc(-c2nnc([C@H](C)Sc3nccn3C3CC3)o2)cc1 ZINC000029625682 563907614 /nfs/dbraw/zinc/90/76/14/563907614.db2.gz NZWBOABSWMXAMP-NSHDSACASA-N 0 0 342.424 4.130 50 0 EIAARN CC(=O)Nc1ccc(S[C@H](C)c2nc(-c3ccco3)no2)cc1 ZINC000029739057 563908423 /nfs/dbraw/zinc/90/84/23/563908423.db2.gz BUMRTOAOIFAKQL-SNVBAGLBSA-N 0 0 329.381 4.141 50 0 EIAARN Cc1ncc(-c2ccc(NC(=O)c3cc(C)nc4onc(C)c43)cc2)o1 ZINC000029858087 563908750 /nfs/dbraw/zinc/90/87/50/563908750.db2.gz JLOASVLRKJRLJS-UHFFFAOYSA-N 0 0 348.362 4.055 50 0 EIAARN Cc1nc2ccccc2n1CCNC(=O)c1occc1-c1ccccc1 ZINC000029928651 563908897 /nfs/dbraw/zinc/90/88/97/563908897.db2.gz MWRWTGTWMLLVLR-UHFFFAOYSA-N 0 0 345.402 4.035 50 0 EIAARN Cc1ccccc1CNC(=O)CNc1cccc(OC2CCCC2)c1 ZINC000029937315 563908915 /nfs/dbraw/zinc/90/89/15/563908915.db2.gz DMEVPTZDAVVETO-UHFFFAOYSA-N 0 0 338.451 4.045 50 0 EIAARN CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](c2ccccc2)C1 ZINC000030029043 563909385 /nfs/dbraw/zinc/90/93/85/563909385.db2.gz WIHYVDVFVRXVAO-KRWDZBQOSA-N 0 0 349.261 4.122 50 0 EIAARN Cc1noc([C@H](C)Nc2cccc(COc3cccc(F)c3)c2)n1 ZINC000030449289 563909775 /nfs/dbraw/zinc/90/97/75/563909775.db2.gz BEAHXYNINKVQPN-LBPRGKRZSA-N 0 0 327.359 4.269 50 0 EIAARN Cc1nn(C)c(C)c1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000030510313 563909829 /nfs/dbraw/zinc/90/98/29/563909829.db2.gz KOVBUFHOJQWNBN-UHFFFAOYSA-N 0 0 329.469 4.324 50 0 EIAARN Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000030567716 563910082 /nfs/dbraw/zinc/91/00/82/563910082.db2.gz PNFUXUMLEQXXLD-SNVBAGLBSA-N 0 0 344.358 4.126 50 0 EIAARN CC(C)[C@@H](Sc1ncnc2ccsc21)C(=O)NC1CCCCC1 ZINC000030705234 563910352 /nfs/dbraw/zinc/91/03/52/563910352.db2.gz QDZOCJSLULVZQY-CQSZACIVSA-N 0 0 349.525 4.257 50 0 EIAARN CCn1ccc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C)cc21 ZINC000072292970 563910405 /nfs/dbraw/zinc/91/04/05/563910405.db2.gz BANFZTUHEQCDPF-UHFFFAOYSA-N 0 0 344.418 4.408 50 0 EIAARN CC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)s1 ZINC000030956767 563911844 /nfs/dbraw/zinc/91/18/44/563911844.db2.gz GDWHNOOTFRKIMH-UHFFFAOYSA-N 0 0 328.437 4.112 50 0 EIAARN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cccc(F)c3)C2)n1 ZINC000072298679 563912433 /nfs/dbraw/zinc/91/24/33/563912433.db2.gz QWEIVFWIOPDISW-OIISXLGYSA-N 0 0 344.455 4.100 50 0 EIAARN Oc1ccc(SC(F)(F)[C@](F)(Cl)OC(F)(F)F)c(O)c1 ZINC000003103050 563912623 /nfs/dbraw/zinc/91/26/23/563912623.db2.gz BWNYFRIKEGXHCS-SSDOTTSWSA-N 0 0 342.644 4.181 50 0 EIAARN CCc1cc2c(ncnc2N[C@H](CC)[C@@H](O)c2ccccc2F)s1 ZINC000072304146 563914452 /nfs/dbraw/zinc/91/44/52/563914452.db2.gz DPUCJKPCUQBSID-CVEARBPZSA-N 0 0 345.443 4.317 50 0 EIAARN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1cccc(Cl)c1)c3=O ZINC000033088856 563915240 /nfs/dbraw/zinc/91/52/40/563915240.db2.gz KHMWQJAPCTZQSH-LLVKDONJSA-N 0 0 338.794 4.024 50 0 EIAARN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N(C)C1=O ZINC000072305658 563915362 /nfs/dbraw/zinc/91/53/62/563915362.db2.gz JDRSRHIXQMLOSZ-CYBMUJFWSA-N 0 0 348.368 4.325 50 0 EIAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cc(C)ccc1OC ZINC000033270653 563915615 /nfs/dbraw/zinc/91/56/15/563915615.db2.gz YXQGPIRDOKNERF-HNNXBMFYSA-N 0 0 343.427 4.231 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)NCCc3ccc(Cl)cc3)c2c1 ZINC000032961483 563916876 /nfs/dbraw/zinc/91/68/76/563916876.db2.gz CZAVYEUOXQJWKP-UHFFFAOYSA-N 0 0 338.838 4.478 50 0 EIAARN CC(C)COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000003900166 563918872 /nfs/dbraw/zinc/91/88/72/563918872.db2.gz PMEIBPMGPHRCMW-UHFFFAOYSA-N 0 0 336.435 4.175 50 0 EIAARN CCc1nc(-c2ccc(C(=O)NC3CCCCCCC3)cc2)no1 ZINC000032971436 563920128 /nfs/dbraw/zinc/92/01/28/563920128.db2.gz XTCCBJKVFTUQQF-UHFFFAOYSA-N 0 0 327.428 4.142 50 0 EIAARN Cc1nc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1 ZINC000032971387 563920136 /nfs/dbraw/zinc/92/01/36/563920136.db2.gz RVJXISMJIWHCSI-UHFFFAOYSA-N 0 0 347.296 4.316 50 0 EIAARN CCc1nc(-c2ccc(C(=O)Nc3cccc(SC)c3)cc2)no1 ZINC000032971440 563920147 /nfs/dbraw/zinc/92/01/47/563920147.db2.gz DKWSRGDCGDCCQX-UHFFFAOYSA-N 0 0 339.420 4.273 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000072311937 563920202 /nfs/dbraw/zinc/92/02/02/563920202.db2.gz PLQZZCVBTKEHEP-LJQANCHMSA-N 0 0 337.467 4.155 50 0 EIAARN FC(F)(F)c1nc2ccccc2n1Cc1ccn(-c2ccccc2)n1 ZINC000060279108 563920738 /nfs/dbraw/zinc/92/07/38/563920738.db2.gz CTTNUAWCSPJLSB-UHFFFAOYSA-N 0 0 342.324 4.289 50 0 EIAARN Cc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(Cl)c2)n1 ZINC000013495319 563921176 /nfs/dbraw/zinc/92/11/76/563921176.db2.gz FJWNECOEUCFFHT-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN O=C(c1nc2ccccn2c1-c1ccc(F)cc1)N1CCCCCC1 ZINC000097939353 563923974 /nfs/dbraw/zinc/92/39/74/563923974.db2.gz QSQBBLULPCSNIK-UHFFFAOYSA-N 0 0 337.398 4.157 50 0 EIAARN C[C@@H](O)c1cccc(Nc2nc3ccccc3c(N3CCCC3)n2)c1 ZINC000041148153 563924327 /nfs/dbraw/zinc/92/43/27/563924327.db2.gz DLKUCXDHTSIPEX-CQSZACIVSA-N 0 0 334.423 4.027 50 0 EIAARN CC(=O)Nc1nc2ccc(NC(=O)Nc3ccc(C)cc3)cc2s1 ZINC000033008120 563924737 /nfs/dbraw/zinc/92/47/37/563924737.db2.gz HJDNHALEQKKKHI-UHFFFAOYSA-N 0 0 340.408 4.207 50 0 EIAARN Cc1cc(C)cc(C(=O)c2cccc(I)c2)c1 ZINC000043210137 563925263 /nfs/dbraw/zinc/92/52/63/563925263.db2.gz OJUCABXRIMAAEA-UHFFFAOYSA-N 0 0 336.172 4.139 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)NC2(c3noc(C)n3)CCCCCC2)C1(C)C ZINC000071843938 563926369 /nfs/dbraw/zinc/92/63/69/563926369.db2.gz SIWFRZQWKUWBDM-HZPDHXFCSA-N 0 0 345.487 4.282 50 0 EIAARN Cc1csc(-c2ccc(NC(=O)NCc3c(C)noc3C)cc2)n1 ZINC000071854028 563926611 /nfs/dbraw/zinc/92/66/11/563926611.db2.gz KVEOVFDNQKRVAO-UHFFFAOYSA-N 0 0 342.424 4.045 50 0 EIAARN CCCC(=O)Nc1nc2cc(NC(=O)c3ccccc3)ccc2s1 ZINC000033020486 563929017 /nfs/dbraw/zinc/92/90/17/563929017.db2.gz URWWERTZFGJOQO-UHFFFAOYSA-N 0 0 339.420 4.287 50 0 EIAARN CCCn1cc(-c2ccnc(N[C@H]3CCc4ccccc4C3)n2)c(C)n1 ZINC000048057159 563929961 /nfs/dbraw/zinc/92/99/61/563929961.db2.gz AWDKQTKIKYPWOU-SFHVURJKSA-N 0 0 347.466 4.028 50 0 EIAARN CN(C(=O)Nc1cc(C[S@](C)=O)ccc1Cl)C1CCCCC1 ZINC000071910309 563932020 /nfs/dbraw/zinc/93/20/20/563932020.db2.gz LGDIYKRZLCSWRM-JOCHJYFZSA-N 0 0 342.892 4.015 50 0 EIAARN COc1ccc(NC(=O)c2ncoc2-c2ccc(C)o2)cc1Cl ZINC000033049075 563935387 /nfs/dbraw/zinc/93/53/87/563935387.db2.gz MENREQGBSQURAF-UHFFFAOYSA-N 0 0 332.743 4.157 50 0 EIAARN COc1cccc(SCC(=O)N[C@@H](C)c2ccc(SC)cc2)c1 ZINC000058002962 563936420 /nfs/dbraw/zinc/93/64/20/563936420.db2.gz UQINQAUFYULBTN-ZDUSSCGKSA-N 0 0 347.505 4.387 50 0 EIAARN CCCN(C(=O)NCc1ccccc1OC)[C@H]1CCc2ccccc21 ZINC000058157777 563938077 /nfs/dbraw/zinc/93/80/77/563938077.db2.gz YDXMXSAHIBXFFW-IBGZPJMESA-N 0 0 338.451 4.304 50 0 EIAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1ccc(F)cc1 ZINC000058157885 563938106 /nfs/dbraw/zinc/93/81/06/563938106.db2.gz FFWIBCSIFAAZFF-CQSZACIVSA-N 0 0 336.410 4.386 50 0 EIAARN COc1c(Cl)cc(NCc2nc(-c3ccco3)no2)cc1Cl ZINC000058192931 563939459 /nfs/dbraw/zinc/93/94/59/563939459.db2.gz TUWPYOFUWCGJEO-UHFFFAOYSA-N 0 0 340.166 4.257 50 0 EIAARN COc1ccccc1CCC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000058209164 563939822 /nfs/dbraw/zinc/93/98/22/563939822.db2.gz PEXPZDWGSNHMSN-HXUWFJFHSA-N 0 0 337.463 4.252 50 0 EIAARN Cc1cc(N)nc(S[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000072031450 563939974 /nfs/dbraw/zinc/93/99/74/563939974.db2.gz ORVCBIJUSJIJAJ-VIFPVBQESA-N 0 0 329.347 4.119 50 0 EIAARN O=c1[nH]c(C(Cl)=Cc2ccc(O)c(Cl)c2)nc2ccccc12 ZINC000058244654 563940546 /nfs/dbraw/zinc/94/05/46/563940546.db2.gz USXGPHGJKMAIJZ-XYOKQWHBSA-N 0 0 333.174 4.431 50 0 EIAARN O=C(Nc1cccc(F)c1)N1CCC(OCCc2ccccc2)CC1 ZINC000058245225 563940644 /nfs/dbraw/zinc/94/06/44/563940644.db2.gz FAVVFSTUWLZGMG-UHFFFAOYSA-N 0 0 342.414 4.081 50 0 EIAARN Cc1noc(C)c1NC(=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000058315004 563942395 /nfs/dbraw/zinc/94/23/95/563942395.db2.gz OWBVZJXXNFPILN-UHFFFAOYSA-N 0 0 340.354 4.262 50 0 EIAARN CCn1c2ccccc2c2cc(/C=C/C(=O)Nc3ccn(C)n3)ccc21 ZINC000058356219 563943404 /nfs/dbraw/zinc/94/34/04/563943404.db2.gz GLUPMBBIVJLQAD-PKNBQFBNSA-N 0 0 344.418 4.200 50 0 EIAARN Cc1cccc(OCCC(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000058357397 563943595 /nfs/dbraw/zinc/94/35/95/563943595.db2.gz BQXOQCUWYRFXAZ-MAUKXSAKSA-N 0 0 327.424 4.139 50 0 EIAARN Fc1ccccc1OCCSc1nncn1-c1cccc(Cl)c1 ZINC000058357256 563943621 /nfs/dbraw/zinc/94/36/21/563943621.db2.gz LCARQZJRJIZYDU-UHFFFAOYSA-N 0 0 349.818 4.231 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2sccc2C2CC2)cc1)NC1CC1 ZINC000058382067 563944460 /nfs/dbraw/zinc/94/44/60/563944460.db2.gz WHQRBEYGEOTXKL-UHFFFAOYSA-N 0 0 341.436 4.162 50 0 EIAARN O=C(Cc1ccc(-n2cccc2)cc1)OCc1nc2ccccc2s1 ZINC000058391622 563944509 /nfs/dbraw/zinc/94/45/09/563944509.db2.gz KCFSUXOPTAITOM-UHFFFAOYSA-N 0 0 348.427 4.373 50 0 EIAARN O=C(NCc1cccc2ccccc21)Nc1ccn(-c2ccccc2)n1 ZINC000058417042 563945517 /nfs/dbraw/zinc/94/55/17/563945517.db2.gz LLQFCXUIYMRJID-UHFFFAOYSA-N 0 0 342.402 4.347 50 0 EIAARN Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(Cl)s2)o1 ZINC000058421675 563945825 /nfs/dbraw/zinc/94/58/25/563945825.db2.gz BMXHYAVKTFZAFU-HNNXBMFYSA-N 0 0 345.855 4.393 50 0 EIAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H](C)CC2)c1 ZINC000058420921 563945827 /nfs/dbraw/zinc/94/58/27/563945827.db2.gz XQPZLWQEMYGYAZ-CQSZACIVSA-N 0 0 342.439 4.133 50 0 EIAARN O=C(c1cccnc1Nc1ccccc1F)N1CCCCCCC1 ZINC000058428730 563946167 /nfs/dbraw/zinc/94/61/67/563946167.db2.gz QVOZRIPECMSULR-UHFFFAOYSA-N 0 0 327.403 4.371 50 0 EIAARN CCN(C(=O)CCc1c(C)nn(CC(C)C)c1C)c1ccccc1C ZINC000058641591 563947067 /nfs/dbraw/zinc/94/70/67/563947067.db2.gz DYFUUEZKGLURCM-UHFFFAOYSA-N 0 0 341.499 4.450 50 0 EIAARN CC(C)N(C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC000059339588 563948068 /nfs/dbraw/zinc/94/80/68/563948068.db2.gz PQTQPTWKLVFNPV-UHFFFAOYSA-N 0 0 338.329 4.078 50 0 EIAARN CC[C@@H]1CN(CC(=O)NC2CCCCCC2)c2ccccc2S1 ZINC000033059301 563951718 /nfs/dbraw/zinc/95/17/18/563951718.db2.gz QYMZOIQWEZUKFM-MRXNPFEDSA-N 0 0 332.513 4.216 50 0 EIAARN CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccnc2Cl)s1 ZINC000096441324 563953117 /nfs/dbraw/zinc/95/31/17/563953117.db2.gz DAWUZNFHWKMDPG-SNVBAGLBSA-N 0 0 338.864 4.287 50 0 EIAARN Cc1cccnc1CNC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096447343 563953472 /nfs/dbraw/zinc/95/34/72/563953472.db2.gz WOSCYDYHNBJYFL-INIZCTEOSA-N 0 0 346.434 4.012 50 0 EIAARN Cc1noc(C)c1N(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000096450419 563953655 /nfs/dbraw/zinc/95/36/55/563953655.db2.gz PJPIIXHQSOXPCO-UHFFFAOYSA-N 0 0 339.370 4.133 50 0 EIAARN CO[C@H](C)c1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 ZINC000096459617 563953956 /nfs/dbraw/zinc/95/39/56/563953956.db2.gz DHYVUIXZOJHWCJ-QAPCUYQASA-N 0 0 334.460 4.063 50 0 EIAARN CSc1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1F ZINC000096461740 563954062 /nfs/dbraw/zinc/95/40/62/563954062.db2.gz ZDIIQLNZMZFNPV-ZDUSSCGKSA-N 0 0 334.420 4.030 50 0 EIAARN CSCc1cccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000096461736 563954075 /nfs/dbraw/zinc/95/40/75/563954075.db2.gz HHWHIWYXPAXCMJ-OAHLLOKOSA-N 0 0 330.457 4.032 50 0 EIAARN COc1ccc(C)c(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000096471007 563954561 /nfs/dbraw/zinc/95/45/61/563954561.db2.gz INQVCCBEEVPGCA-SUMWQHHRSA-N 0 0 346.452 4.059 50 0 EIAARN COc1cc(/C=C\c2ccc3cccc(OC(C)=O)c3n2)ccc1O ZINC000096545033 563957268 /nfs/dbraw/zinc/95/72/68/563957268.db2.gz OKVPJSLONXMQJA-TWGQIWQCSA-N 0 0 335.359 4.045 50 0 EIAARN Cc1ccccc1S(=O)(=O)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000064984241 563957376 /nfs/dbraw/zinc/95/73/76/563957376.db2.gz NCMGOUXLORFTDB-SFHVURJKSA-N 0 0 347.455 4.440 50 0 EIAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(CC)no1 ZINC000064985084 563957863 /nfs/dbraw/zinc/95/78/63/563957863.db2.gz WXNUTMAYTHILQV-OAHLLOKOSA-N 0 0 329.400 4.005 50 0 EIAARN CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3C2CCCCC2)o1 ZINC000065380617 563958913 /nfs/dbraw/zinc/95/89/13/563958913.db2.gz BGKZQPNTNZOSPJ-HNNXBMFYSA-N 0 0 327.428 4.326 50 0 EIAARN Cc1nc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)c[nH]1 ZINC000065396523 563959791 /nfs/dbraw/zinc/95/97/91/563959791.db2.gz UEDZBTSRJRDAIJ-UHFFFAOYSA-N 0 0 343.434 4.361 50 0 EIAARN CCCN(Cc1ccccn1)C(=O)c1oc2cc(OC)ccc2c1C ZINC000065399371 563960012 /nfs/dbraw/zinc/96/00/12/563960012.db2.gz YBMMDNYPYFMTLR-UHFFFAOYSA-N 0 0 338.407 4.197 50 0 EIAARN CS[C@H](C)Cc1c(-c2ccccc2)ncn1CCc1ccccn1 ZINC000065469514 563961392 /nfs/dbraw/zinc/96/13/92/563961392.db2.gz VUYVZTNNJKOBFD-MRXNPFEDSA-N 0 0 337.492 4.482 50 0 EIAARN C/C=C(\C)c1c(-c2ccccc2)ncn1[C@@H](c1ncnn1C)C1CC1 ZINC000065470256 563961444 /nfs/dbraw/zinc/96/14/44/563961444.db2.gz XQSJRZHNFSHZQJ-KNERYOEYSA-N 0 0 333.439 4.101 50 0 EIAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000096658920 563962190 /nfs/dbraw/zinc/96/21/90/563962190.db2.gz VFQFEVPEGBBMKL-UHFFFAOYSA-N 0 0 344.263 4.204 50 0 EIAARN Cc1cc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)n[nH]1 ZINC000067642254 563962408 /nfs/dbraw/zinc/96/24/08/563962408.db2.gz CUAOAVXDUQQONL-UHFFFAOYSA-N 0 0 343.434 4.361 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)Nc2ccc(N3CCCC3)nc2)o1 ZINC000096794821 563962440 /nfs/dbraw/zinc/96/24/40/563962440.db2.gz FAQQBCVEFMSXMN-INOXOVODSA-N 0 0 337.423 4.050 50 0 EIAARN Cc1cccc([C@H](Nc2nccc(-c3ccc(C)nc3C)n2)C2CC2)n1 ZINC000071589522 563964586 /nfs/dbraw/zinc/96/45/86/563964586.db2.gz YBRGNBLMMUWBJT-HXUWFJFHSA-N 0 0 345.450 4.422 50 0 EIAARN Fc1ccc(-c2nccn2[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000071735911 563964884 /nfs/dbraw/zinc/96/48/84/563964884.db2.gz WXBBBXNBLZULGP-LJQANCHMSA-N 0 0 332.382 4.175 50 0 EIAARN Cc1cccc(C(C)(C)C)c1NC(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000071738400 563964895 /nfs/dbraw/zinc/96/48/95/563964895.db2.gz DEGBGQGUOLEGMK-CYBMUJFWSA-N 0 0 344.377 4.088 50 0 EIAARN CCc1[nH]c2c(cc(C)cc2CNc2nccc(N(C)CC)n2)c1C ZINC000071749715 563965069 /nfs/dbraw/zinc/96/50/69/563965069.db2.gz XMDPYJHCJZHQJZ-UHFFFAOYSA-N 0 0 337.471 4.205 50 0 EIAARN O=C(c1cccc(O)c1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071751625 563965086 /nfs/dbraw/zinc/96/50/86/563965086.db2.gz APJWRSZXGMXRFI-AWEZNQCLSA-N 0 0 345.389 4.155 50 0 EIAARN c1cn(CC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(-c2cnc(-c3ccccn3)nc2)n1 ZINC000071752490 563965152 /nfs/dbraw/zinc/96/51/52/563965152.db2.gz RMOCIMNVVXELRO-IXDOHACOSA-N 0 0 343.434 4.004 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)[nH]n1 ZINC000071759942 563965317 /nfs/dbraw/zinc/96/53/17/563965317.db2.gz SXFMVSDIUZNJND-KRWDZBQOSA-N 0 0 325.456 4.018 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)no1 ZINC000071759813 563965334 /nfs/dbraw/zinc/96/53/34/563965334.db2.gz SFGCFPPSAPRERC-MRXNPFEDSA-N 0 0 344.430 4.422 50 0 EIAARN Cc1[nH]cnc1-c1nccn1-c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000071770954 563965655 /nfs/dbraw/zinc/96/56/55/563965655.db2.gz OGBNHVIEAFSIAN-UHFFFAOYSA-N 0 0 340.390 4.114 50 0 EIAARN Fc1cnccc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071774656 563965704 /nfs/dbraw/zinc/96/57/04/563965704.db2.gz ITUWYMVJGZSMJA-OAHLLOKOSA-N 0 0 327.186 4.105 50 0 EIAARN Cc1ccc(C2CC(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)C2)cc1 ZINC000033256431 563966165 /nfs/dbraw/zinc/96/61/65/563966165.db2.gz HCYWYPGGHROCST-UHFFFAOYSA-N 0 0 347.336 4.451 50 0 EIAARN Cc1nc(-c2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)no1 ZINC000033257655 563966240 /nfs/dbraw/zinc/96/62/40/563966240.db2.gz RUTFNZVRBKJGNT-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN CCCNC(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1 ZINC000033261139 563966275 /nfs/dbraw/zinc/96/62/75/563966275.db2.gz LIYVYZGKASXLCA-UHFFFAOYSA-N 0 0 346.434 4.335 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000073632151 563966512 /nfs/dbraw/zinc/96/65/12/563966512.db2.gz QZMPMMJBUBWWND-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN CCN(C(=O)c1cc2nc(C)ccc2o1)[C@@H](C)c1cccc(OC)c1 ZINC000097001147 563966605 /nfs/dbraw/zinc/96/66/05/563966605.db2.gz OHRNMVGEZFUEFH-AWEZNQCLSA-N 0 0 338.407 4.368 50 0 EIAARN CCCCCNC(=O)c1cc(N2CCC[C@H](C)C2)nc2ccccc21 ZINC000022343464 563966824 /nfs/dbraw/zinc/96/68/24/563966824.db2.gz GVDYPEDUYOXQJT-INIZCTEOSA-N 0 0 339.483 4.391 50 0 EIAARN CC(C)CCNC(=O)c1cc(N2CCC[C@H](C)C2)nc2ccccc21 ZINC000022344138 563966838 /nfs/dbraw/zinc/96/68/38/563966838.db2.gz JWSNEMRFMDBWHU-INIZCTEOSA-N 0 0 339.483 4.247 50 0 EIAARN C[C@H](Nc1cccc(N2CCCC2)c1)c1ccc([S@@](C)=O)cc1 ZINC000097045852 563966977 /nfs/dbraw/zinc/96/69/77/563966977.db2.gz HQURKUYIAIBROK-WNSKOXEYSA-N 0 0 328.481 4.197 50 0 EIAARN CC(C)(C)[S@](=O)CCNC(=O)N(c1ccccc1)c1ccccc1 ZINC000097082769 563967273 /nfs/dbraw/zinc/96/72/73/563967273.db2.gz JNUYDQNDLJSRSC-DEOSSOPVSA-N 0 0 344.480 4.082 50 0 EIAARN COc1ccnc(CSCc2csc(-c3ccccn3)n2)c1 ZINC000097094902 563967433 /nfs/dbraw/zinc/96/74/33/563967433.db2.gz NSYZLODHKXISER-UHFFFAOYSA-N 0 0 329.450 4.042 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)ccc1C)[NH2+]CC2 ZINC000000034555 563967819 /nfs/dbraw/zinc/96/78/19/563967819.db2.gz BQUZKRJMXYYSDY-OAQYLSRUSA-N 0 0 325.452 4.336 50 0 EIAARN COc1cc2c(cc1OC)[C@H](c1ccc(C(C)(C)C)cc1)[NH2+]CC2 ZINC000000034459 563967825 /nfs/dbraw/zinc/96/78/25/563967825.db2.gz CSOOWMINZBTBLR-FQEVSTJZSA-N 0 0 325.452 4.236 50 0 biogenic EIAARN Cc1cc2cccnc2c(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000097113536 563967935 /nfs/dbraw/zinc/96/79/35/563967935.db2.gz PTQVOEQVJUPRNB-QGZVFWFLSA-N 0 0 335.411 4.025 50 0 EIAARN CC(C)c1noc([C@H]2CCCN2Cc2cncn2C2CCCCC2)n1 ZINC000077285639 563968690 /nfs/dbraw/zinc/96/86/90/563968690.db2.gz IODCLVHHPUABOC-QGZVFWFLSA-N 0 0 343.475 4.232 50 0 EIAARN Cc1cc2occ(CC(=O)N3CCC[C@@H]3c3ccccn3)c2c(C)c1 ZINC000077376370 563969243 /nfs/dbraw/zinc/96/92/43/563969243.db2.gz RHKKHEFRGJYXQA-GOSISDBHSA-N 0 0 334.419 4.351 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccccc3C)C2)c(F)c1 ZINC000077378424 563969295 /nfs/dbraw/zinc/96/92/95/563969295.db2.gz YZNBGYVMTDCELK-QGZVFWFLSA-N 0 0 341.426 4.374 50 0 EIAARN CCc1nc(C)c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)o1 ZINC000077388248 563969325 /nfs/dbraw/zinc/96/93/25/563969325.db2.gz RODSAXURJRPIKH-ZDUSSCGKSA-N 0 0 341.436 4.132 50 0 EIAARN Cc1ccc(-c2nccn2CC2(c3cccc(F)c3)CCOCC2)o1 ZINC000077388291 563969375 /nfs/dbraw/zinc/96/93/75/563969375.db2.gz HSMZTTDHZALKCU-UHFFFAOYSA-N 0 0 340.398 4.339 50 0 EIAARN CCCCc1nc(Cl)c(CN2CCC(c3n[nH]cc3CC)CC2)[nH]1 ZINC000077406848 563969490 /nfs/dbraw/zinc/96/94/90/563969490.db2.gz PUKFNZHYGJSKSR-UHFFFAOYSA-N 0 0 349.910 4.071 50 0 EIAARN COc1ccc(Cl)cc1C(=O)N(C)Cc1cccc2ncccc12 ZINC000077408176 563969515 /nfs/dbraw/zinc/96/95/15/563969515.db2.gz QPZNPOIOMPYBFA-UHFFFAOYSA-N 0 0 340.810 4.169 50 0 EIAARN CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(=O)[nH]1 ZINC000077440744 563969691 /nfs/dbraw/zinc/96/96/91/563969691.db2.gz GQTMKFGSTJCBMS-GOSISDBHSA-N 0 0 342.414 4.005 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)on1 ZINC000077486204 563969983 /nfs/dbraw/zinc/96/99/83/563969983.db2.gz AHMPXEIEKHBHIU-UHFFFAOYSA-N 0 0 348.830 4.135 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2cc(C)nc3c(C)c(C)ccc23)no1 ZINC000077506029 563970141 /nfs/dbraw/zinc/97/01/41/563970141.db2.gz VWDLJLZUPNBEBA-LJQANCHMSA-N 0 0 349.434 4.434 50 0 EIAARN COc1cccc([C@@H]2CCCN2C(=O)C2=Cc3ccccc3OC=C2)c1 ZINC000082106511 563972265 /nfs/dbraw/zinc/97/22/65/563972265.db2.gz LRBJKIRRVQTLEX-FQEVSTJZSA-N 0 0 347.414 4.348 50 0 EIAARN Cc1nc(C2CC2)ncc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000082120557 563972454 /nfs/dbraw/zinc/97/24/54/563972454.db2.gz ZZYSHLJFSULHOA-SFHVURJKSA-N 0 0 339.414 4.169 50 0 EIAARN CC(C)(C)n1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)c1 ZINC000082157516 563972775 /nfs/dbraw/zinc/97/27/75/563972775.db2.gz OHOMKQIDCACWBE-UHFFFAOYSA-N 0 0 340.467 4.065 50 0 EIAARN COCCC[C@H]1CCCN(C(=O)c2ccc3cccc(Cl)c3n2)C1 ZINC000082161635 563972853 /nfs/dbraw/zinc/97/28/53/563972853.db2.gz FNBHSDRMWUBKTL-CQSZACIVSA-N 0 0 346.858 4.167 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000033307862 563973457 /nfs/dbraw/zinc/97/34/57/563973457.db2.gz XLCXHISTEVCQRW-ZROIWOOFSA-N 0 0 330.387 4.450 50 0 EIAARN O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)C1CCOCC1 ZINC000128238263 563973768 /nfs/dbraw/zinc/97/37/68/563973768.db2.gz YWFGJDGYTZWCHB-SFHVURJKSA-N 0 0 347.817 4.111 50 0 EIAARN O=C(Cc1ccccc1Cl)NC[C@H](c1ccco1)c1cccs1 ZINC000585146775 563973938 /nfs/dbraw/zinc/97/39/38/563973938.db2.gz OKVLNHFYBXINBZ-CQSZACIVSA-N 0 0 345.851 4.485 50 0 EIAARN O=C(CCc1ccccc1)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146802 563973978 /nfs/dbraw/zinc/97/39/78/563973978.db2.gz RLYNNRUJBWYSQI-INIZCTEOSA-N 0 0 325.433 4.222 50 0 EIAARN CCCC(=O)Nc1cc(N2CCn3c4ccccc4nc3C2)ccc1C ZINC000033320568 563974019 /nfs/dbraw/zinc/97/40/19/563974019.db2.gz NVIZTGMIIHFLCH-UHFFFAOYSA-N 0 0 348.450 4.104 50 0 EIAARN O=S(=O)(c1cccs1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000105633 563974039 /nfs/dbraw/zinc/97/40/39/563974039.db2.gz BQLMEULTPNKBRO-UHFFFAOYSA-N 0 0 343.473 4.139 50 0 EIAARN COc1ccc(C(=O)NC[C@H](c2ccco2)c2cccs2)cc1F ZINC000585147689 563974041 /nfs/dbraw/zinc/97/40/41/563974041.db2.gz IJGHAPKDBDRGJF-CYBMUJFWSA-N 0 0 345.395 4.051 50 0 EIAARN CCOC(=O)c1cnc2ccc(OC)cc2c1NC1CCCCC1 ZINC000000071608 563974389 /nfs/dbraw/zinc/97/43/89/563974389.db2.gz AIPLEYOFTSZJKP-UHFFFAOYSA-N 0 0 328.412 4.165 50 0 EIAARN Clc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000082085 563974886 /nfs/dbraw/zinc/97/48/86/563974886.db2.gz IINKJRJYJQONCI-UHFFFAOYSA-N 0 0 335.798 4.081 50 0 EIAARN CCn1ncc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)c1C ZINC000091270354 563975168 /nfs/dbraw/zinc/97/51/68/563975168.db2.gz GGNPSWNFNHVLBD-UHFFFAOYSA-N 0 0 343.814 4.055 50 0 EIAARN CC(C)n1ccnc1C1CCN(C(=O)c2cnc3ccccc3c2)CC1 ZINC000091321891 563975289 /nfs/dbraw/zinc/97/52/89/563975289.db2.gz TUTBCWRFRGULPT-UHFFFAOYSA-N 0 0 348.450 4.032 50 0 EIAARN CCCn1ncc(C(=O)N(Cc2ccc(C)cc2)C2CCCC2)c1C ZINC000091365212 563975375 /nfs/dbraw/zinc/97/53/75/563975375.db2.gz SPKOAPZSYQVRRX-UHFFFAOYSA-N 0 0 339.483 4.495 50 0 EIAARN CCOc1ccccc1CN(C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000091548595 563975504 /nfs/dbraw/zinc/97/55/04/563975504.db2.gz ROSCCJOJDCBXBT-UHFFFAOYSA-N 0 0 336.435 4.456 50 0 EIAARN CSc1cccc(CN(C)C(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000091548127 563975511 /nfs/dbraw/zinc/97/55/11/563975511.db2.gz GSCLHLGUTLZKGH-UHFFFAOYSA-N 0 0 329.440 4.238 50 0 EIAARN O=C1C[C@@H](c2ccccc2)CN1Cc1ccc(C(F)(F)F)cc1F ZINC000095500970 563977102 /nfs/dbraw/zinc/97/71/02/563977102.db2.gz VBSRIYIXPYPPQP-CQSZACIVSA-N 0 0 337.316 4.361 50 0 EIAARN Cn1ccc2ccc(C(=O)N3CC[C@@H](c4ccccc4Cl)C3)cc21 ZINC000095507286 563977189 /nfs/dbraw/zinc/97/71/89/563977189.db2.gz GRDPTXBJZFNHHQ-MRXNPFEDSA-N 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C[C@@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 ZINC000061013506 563992307 /nfs/dbraw/zinc/99/23/07/563992307.db2.gz AXZNNIBOCDKMRL-CZUORRHYSA-N 0 0 342.464 4.291 50 0 EIAARN C[C@@H](Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)[C@@H]1CCOC1 ZINC000408513841 563992767 /nfs/dbraw/zinc/99/27/67/563992767.db2.gz BDFCFDALKCDFKY-UKRRQHHQSA-N 0 0 334.435 4.181 50 0 EIAARN Cc1ccc2nc(C[NH2+][C@@H](Cc3ccccn3)c3ccccc3)cn2c1 ZINC000408514179 563992795 /nfs/dbraw/zinc/99/27/95/563992795.db2.gz YSKUEZHUDLIQJW-NRFANRHFSA-N 0 0 342.446 4.111 50 0 EIAARN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3)C2)n1 ZINC000257365564 563993335 /nfs/dbraw/zinc/99/33/35/563993335.db2.gz QWEIVFWIOPDISW-HYVNUMGLSA-N 0 0 344.455 4.100 50 0 EIAARN Cc1ccccc1[C@@H]1c2cccn2CCN1C(=O)c1ccccc1F ZINC000033667975 563993734 /nfs/dbraw/zinc/99/37/34/563993734.db2.gz HTJXQRVETVRXSN-HXUWFJFHSA-N 0 0 334.394 4.181 50 0 EIAARN Cc1cc(C)nc(SCC(=O)N2CCC[C@@H]2CC2CCCCC2)n1 ZINC000061570744 563994634 /nfs/dbraw/zinc/99/46/34/563994634.db2.gz 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Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(C(C)C)[nH]3)o2)c1 ZINC000017673792 564012066 /nfs/dbraw/zinc/01/20/66/564012066.db2.gz IGVBCDHBSUTJAS-LLVKDONJSA-N 0 0 329.429 4.140 50 0 EIAARN Cc1cccc(OCC(=O)Nc2cccc(Br)c2)c1C ZINC000000122274 564012093 /nfs/dbraw/zinc/01/20/93/564012093.db2.gz KVRDKRDMDVSETM-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN O=C(NCCc1cccs1)c1ccc(OCc2ccccc2)cc1 ZINC000017703125 564012221 /nfs/dbraw/zinc/01/22/21/564012221.db2.gz AMHREFQMKOGCIN-UHFFFAOYSA-N 0 0 337.444 4.300 50 0 EIAARN Clc1ccc(CCNc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000426448 564012598 /nfs/dbraw/zinc/01/25/98/564012598.db2.gz VNDQPSBATCLKPS-UHFFFAOYSA-N 0 0 349.825 4.124 50 0 EIAARN COC(=O)NC(=S)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC000003151923 564015273 /nfs/dbraw/zinc/01/52/73/564015273.db2.gz TWQPZPHFQJAONO-UHFFFAOYSA-N 0 0 336.800 4.185 50 0 EIAARN O=C(C[C@@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000003160215 564015884 /nfs/dbraw/zinc/01/58/84/564015884.db2.gz CLDJHQMKVKSHRC-SECBINFHSA-N 0 0 336.429 4.297 50 0 EIAARN CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000018036293 564017775 /nfs/dbraw/zinc/01/77/75/564017775.db2.gz HHPKJTSDSHMPGH-UHFFFAOYSA-N 0 0 345.406 4.266 50 0 EIAARN C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(-n2ccnc2)cc1 ZINC000018048018 564017809 /nfs/dbraw/zinc/01/78/09/564017809.db2.gz RUWNAFXJLBDIMQ-CQSZACIVSA-N 0 0 331.375 4.110 50 0 EIAARN Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc(Cl)cc1 ZINC000000495261 564017957 /nfs/dbraw/zinc/01/79/57/564017957.db2.gz LIVKPUJDLLFZJG-UHFFFAOYSA-N 0 0 329.812 4.353 50 0 EIAARN CCCc1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1 ZINC000000498692 564018262 /nfs/dbraw/zinc/01/82/62/564018262.db2.gz BFDOGVPOJCQRBP-UHFFFAOYSA-N 0 0 329.787 4.413 50 0 EIAARN COC1(CNc2ccc(NC(=O)N3CCCCCC3)cc2)CCC1 ZINC000583651091 564018308 /nfs/dbraw/zinc/01/83/08/564018308.db2.gz HGHZQHUAQVMMAY-UHFFFAOYSA-N 0 0 331.460 4.076 50 0 EIAARN CC(C)C[C@H](NC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000018131193 564018353 /nfs/dbraw/zinc/01/83/53/564018353.db2.gz QXURKCDPPKSCTK-INIZCTEOSA-N 0 0 347.256 4.361 50 0 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C[C@@H](Sc1n[nH]c(-c2ccccc2F)n1)c1nc(C(C)(C)C)no1 ZINC000048333185 564031135 /nfs/dbraw/zinc/03/11/35/564031135.db2.gz ZSLWANZPKCNBFS-SECBINFHSA-N 0 0 347.419 4.145 50 0 EIAARN Cc1cc(C)c(NC(=O)CN(C)CCO[C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000048343404 564031267 /nfs/dbraw/zinc/03/12/67/564031267.db2.gz VXMHYJLIVVYGJE-LPHOPBHVSA-N 0 0 346.515 4.077 50 0 EIAARN CC(C)(C)c1nc(CS(=O)(=O)C/C=C\c2ccccc2)cs1 ZINC000048712278 564032077 /nfs/dbraw/zinc/03/20/77/564032077.db2.gz CVOHLACAMICZHX-YFHOEESVSA-N 0 0 335.494 4.069 50 0 EIAARN O=C(NCc1ccc(Br)cc1)c1ccc(F)cc1Cl ZINC000048817160 564032281 /nfs/dbraw/zinc/03/22/81/564032281.db2.gz CVCKCKSMYIGKNR-UHFFFAOYSA-N 0 0 342.595 4.172 50 0 EIAARN O=C(c1cccs1)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049028613 564032443 /nfs/dbraw/zinc/03/24/43/564032443.db2.gz BRNQSEVQLWOPKZ-UHFFFAOYSA-N 0 0 344.461 4.041 50 0 EIAARN C[C@@H](CNC(=O)CSc1ccc2ccccc2n1)c1ccccc1 ZINC000005626861 564032882 /nfs/dbraw/zinc/03/28/82/564032882.db2.gz QAIAEZKCSTVLAE-HNNXBMFYSA-N 0 0 336.460 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337.398 4.107 50 0 EIAARN Cc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)s1 ZINC000008429293 564035768 /nfs/dbraw/zinc/03/57/68/564035768.db2.gz PRTBUBCEQCHCCN-DHZHZOJOSA-N 0 0 328.824 4.364 50 0 EIAARN O=C(CSc1ccc2ccccc2c1)c1ccc2c(c1)NC(=O)CO2 ZINC000005776205 564035867 /nfs/dbraw/zinc/03/58/67/564035867.db2.gz ZTZZMRDQTUZRPC-UHFFFAOYSA-N 0 0 349.411 4.146 50 0 EIAARN CSc1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)cs1 ZINC000221236580 564036068 /nfs/dbraw/zinc/03/60/68/564036068.db2.gz QSNYRRVOYBLTML-CQSZACIVSA-N 0 0 336.457 4.372 50 0 EIAARN CC(C)c1ccccc1NC(=O)COc1cccc2c1CCC[C@H]2O ZINC000032691500 564036109 /nfs/dbraw/zinc/03/61/09/564036109.db2.gz NQXJHZWQZPWDEZ-LJQANCHMSA-N 0 0 339.435 4.197 50 0 EIAARN Cc1nc(-c2cccc(Cl)c2Cl)sc1-c1ccnc(N)n1 ZINC000221597146 564036319 /nfs/dbraw/zinc/03/63/19/564036319.db2.gz UVEVGJFMUPOFCK-UHFFFAOYSA-N 0 0 337.235 4.465 50 0 EIAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(c2ccccc2)=NO1 ZINC000033146375 564036484 /nfs/dbraw/zinc/03/64/84/564036484.db2.gz DBCVZVYUEBUNMO-OAHLLOKOSA-N 0 0 335.190 4.125 50 0 EIAARN Cc1cccc(OCCC(=O)Nc2ccccc2OC(F)F)c1C ZINC000024860779 564036746 /nfs/dbraw/zinc/03/67/46/564036746.db2.gz LZTFJFVKHSBCRY-UHFFFAOYSA-N 0 0 335.350 4.312 50 0 EIAARN Cc1nc([C@H](C)NC(=O)C2(c3ccc(Cl)cc3)CC2)c(C)s1 ZINC000222359804 564036830 /nfs/dbraw/zinc/03/68/30/564036830.db2.gz CSYVNHCHAQHZRR-JTQLQIEISA-N 0 0 334.872 4.322 50 0 EIAARN CCOc1ccccc1/C=C/C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000025108751 564036855 /nfs/dbraw/zinc/03/68/55/564036855.db2.gz JYHRHPPBXCQOEZ-UTZKEFOASA-N 0 0 339.435 4.327 50 0 EIAARN Fc1ccc(Br)cc1CN[C@H]1CCOc2ccccc21 ZINC000025357292 564037211 /nfs/dbraw/zinc/03/72/11/564037211.db2.gz DRQPZROIBIYNNZ-HNNXBMFYSA-N 0 0 336.204 4.202 50 0 EIAARN CN(CCC1CCOCC1)C(=O)c1cccc(-c2ccc(F)cc2)c1 ZINC000223277743 564039469 /nfs/dbraw/zinc/03/94/69/564039469.db2.gz CGGOYBWKZCLEJD-UHFFFAOYSA-N 0 0 341.426 4.381 50 0 EIAARN COC[C@H]1CCC[C@H]1NC(=O)CCc1ccc(-c2ccccc2)cc1 ZINC000223675314 564040605 /nfs/dbraw/zinc/04/06/05/564040605.db2.gz OIDPXBLKPLAELC-NHCUHLMSSA-N 0 0 337.463 4.218 50 0 EIAARN C/C=C/c1cc(C(=O)N(CC)c2ccccc2)cc(OC)c1OC ZINC000026857915 564040851 /nfs/dbraw/zinc/04/08/51/564040851.db2.gz FMXITMBHWLYDRN-BJMVGYQFSA-N 0 0 325.408 4.404 50 0 EIAARN Cc1nc(-c2ccccc2)sc1CNc1cccc(C(N)=O)c1C ZINC000225420671 564046548 /nfs/dbraw/zinc/04/65/48/564046548.db2.gz CETOBSZISUPSGH-UHFFFAOYSA-N 0 0 337.448 4.138 50 0 EIAARN CCCCOc1ccc(C(=O)Cn2ccc(=O)c3sccc32)cc1 ZINC000225442523 564046758 /nfs/dbraw/zinc/04/67/58/564046758.db2.gz OMAGJPNHSITAMR-UHFFFAOYSA-N 0 0 341.432 4.125 50 0 EIAARN CO[C@@H]1CCCCC[C@@H]1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000225453825 564046923 /nfs/dbraw/zinc/04/69/23/564046923.db2.gz SHMPGOQNHITHRM-JKSUJKDBSA-N 0 0 346.452 4.013 50 0 EIAARN CC(C)Oc1cc(O)ccc1NC(=O)CCc1cccc(F)c1F ZINC000225463104 564047010 /nfs/dbraw/zinc/04/70/10/564047010.db2.gz JBOMJJBLTIQSPL-UHFFFAOYSA-N 0 0 335.350 4.029 50 0 EIAARN Cc1nn(CC(=O)Nc2cccc3cccnc32)cc1-c1ccccc1 ZINC000225505947 564047384 /nfs/dbraw/zinc/04/73/84/564047384.db2.gz RYSKATRFSKONLI-UHFFFAOYSA-N 0 0 342.402 4.045 50 0 EIAARN COCC1(Cc2noc([C@@H]3C[C@H]3c3c(F)cccc3Cl)n2)CC1 ZINC000225600243 564048244 /nfs/dbraw/zinc/04/82/44/564048244.db2.gz TUEQFEQSUDWWDQ-GHMZBOCLSA-N 0 0 336.794 4.102 50 0 EIAARN Cn1ccnc1CCCOC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000225607792 564048317 /nfs/dbraw/zinc/04/83/17/564048317.db2.gz IQJDHBYTOLAPSO-UHFFFAOYSA-N 0 0 344.798 4.123 50 0 EIAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1csc(Br)c1 ZINC000029799611 564049189 /nfs/dbraw/zinc/04/91/89/564049189.db2.gz SWQWMZQMUPFYGO-UHFFFAOYSA-N 0 0 348.225 4.153 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1C ZINC000041095358 564050010 /nfs/dbraw/zinc/05/00/10/564050010.db2.gz BBJDCDTVEBBBTM-PBHICJAKSA-N 0 0 339.501 4.031 50 0 EIAARN O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1ccccn1 ZINC000041136004 564050250 /nfs/dbraw/zinc/05/02/50/564050250.db2.gz YFYWUZKJGVFPIF-INIZCTEOSA-N 0 0 328.824 4.316 50 0 EIAARN Cc1cc(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)no1 ZINC000041136544 564050260 /nfs/dbraw/zinc/05/02/60/564050260.db2.gz WCLMJAAOHCDDJD-OAHLLOKOSA-N 0 0 332.812 4.217 50 0 EIAARN COCCc1ccccc1NC(=O)[C@H](C)Cc1cncc2ccccc21 ZINC000240278349 564051758 /nfs/dbraw/zinc/05/17/58/564051758.db2.gz DQNUTVKYRSCAHC-MRXNPFEDSA-N 0 0 348.446 4.241 50 0 EIAARN COc1ccc2[nH]cc(CC(=O)N[C@H](C)c3cccc(Cl)c3)c2c1 ZINC000241644250 564052070 /nfs/dbraw/zinc/05/20/70/564052070.db2.gz PPNUOQOMUACIQM-GFCCVEGCSA-N 0 0 342.826 4.250 50 0 EIAARN CO[C@H](CNc1ncnc2c3ccccc3oc21)c1ccc(F)cc1 ZINC000241644596 564052075 /nfs/dbraw/zinc/05/20/75/564052075.db2.gz PSAYYNBUCUQPHD-MRXNPFEDSA-N 0 0 337.354 4.315 50 0 EIAARN Cc1cc(C(=O)Nc2ccccc2N2CCCC2)c2ccccc2n1 ZINC000018839916 564052697 /nfs/dbraw/zinc/05/26/97/564052697.db2.gz MWBJRMGUIGDCPJ-UHFFFAOYSA-N 0 0 331.419 4.396 50 0 EIAARN CCOc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2ccccc2OC)cc1 ZINC000025108803 564053302 /nfs/dbraw/zinc/05/33/02/564053302.db2.gz XXIMWENLELUUKN-STTHAQSSSA-N 0 0 339.435 4.327 50 0 EIAARN Cc1ccc(-n2cnc(C(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000252489190 564053390 /nfs/dbraw/zinc/05/33/90/564053390.db2.gz JJQAFQSHSHSORV-UHFFFAOYSA-N 0 0 347.205 4.135 50 0 EIAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 ZINC000001002013 564054000 /nfs/dbraw/zinc/05/40/00/564054000.db2.gz DSKMNQVYQXWPOT-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3C)C2=O)cc1 ZINC000001004919 564054025 /nfs/dbraw/zinc/05/40/25/564054025.db2.gz RFXMTXKMDABYEE-BOPFTXTBSA-N 0 0 338.432 4.409 50 0 EIAARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000005859344 564056672 /nfs/dbraw/zinc/05/66/72/564056672.db2.gz MDKKGLJTOMSYOU-UHFFFAOYSA-N 0 0 347.361 4.058 50 0 EIAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1C1CCCCC1 ZINC000005865813 564056726 /nfs/dbraw/zinc/05/67/26/564056726.db2.gz HYULSAPJGDHJCO-ZDUSSCGKSA-N 0 0 344.484 4.211 50 0 EIAARN FC(F)(F)c1ccccc1[C@H](NCc1ccccn1)C(F)(F)F ZINC000183346921 564057056 /nfs/dbraw/zinc/05/70/56/564057056.db2.gz XTZYTWOJEIPWMT-ZDUSSCGKSA-N 0 0 334.263 4.494 50 0 EIAARN CCOc1ncccc1C(=O)N(CC)c1nc2c(cccc2C)s1 ZINC000005938553 564057112 /nfs/dbraw/zinc/05/71/12/564057112.db2.gz SWTMJUGECHFFJN-UHFFFAOYSA-N 0 0 341.436 4.065 50 0 EIAARN O=S(=O)(Cc1cc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000005947136 564057254 /nfs/dbraw/zinc/05/72/54/564057254.db2.gz SYUVFEQLEKJORA-UHFFFAOYSA-N 0 0 347.823 4.110 50 0 EIAARN Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccnn3C)cc2)c1 ZINC000063452221 564057526 /nfs/dbraw/zinc/05/75/26/564057526.db2.gz SCRXNXVWHROWEC-UHFFFAOYSA-N 0 0 337.448 4.440 50 0 EIAARN COc1ccc(C(C)=O)cc1CSc1n[nH]c(-c2cccs2)n1 ZINC000006022692 564057644 /nfs/dbraw/zinc/05/76/44/564057644.db2.gz DPMLEAIWOSHDTG-UHFFFAOYSA-N 0 0 345.449 4.037 50 0 EIAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)N(C)c3ccccc3)nc2c1 ZINC000006025360 564057675 /nfs/dbraw/zinc/05/76/75/564057675.db2.gz JDYRWSPYXBFQBX-CYBMUJFWSA-N 0 0 325.437 4.015 50 0 EIAARN Cc1nn(C)cc1-c1ccnc(NCC2(c3ccccc3)CCCC2)n1 ZINC000019113097 564057989 /nfs/dbraw/zinc/05/79/89/564057989.db2.gz SNZZKIHVXNTYPX-UHFFFAOYSA-N 0 0 347.466 4.109 50 0 EIAARN Cc1ccc(C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000012532401 564058323 /nfs/dbraw/zinc/05/83/23/564058323.db2.gz YVAKLMGGNYUMSH-ZDUSSCGKSA-N 0 0 343.377 4.273 50 0 EIAARN CCCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccco1 ZINC000012539538 564058551 /nfs/dbraw/zinc/05/85/51/564058551.db2.gz SVKAOORHTBPJNA-AWEZNQCLSA-N 0 0 325.412 4.311 50 0 EIAARN CCOc1ccc(OCCSc2nc3cc(OC)ccc3[nH]2)cc1 ZINC000012540332 564058657 /nfs/dbraw/zinc/05/86/57/564058657.db2.gz IZPZDRTVJCVDFM-UHFFFAOYSA-N 0 0 344.436 4.141 50 0 EIAARN Cc1nc2sc3c(c2c(NC[C@H](O)c2ccccc2)n1)CCCC3 ZINC000003282926 564058980 /nfs/dbraw/zinc/05/89/80/564058980.db2.gz PKRGXEINZCWTHP-HNNXBMFYSA-N 0 0 339.464 4.024 50 0 EIAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1cc2ccccc2o1 ZINC000003282369 564059005 /nfs/dbraw/zinc/05/90/05/564059005.db2.gz IOHRTIRSMXENQT-UHFFFAOYSA-N 0 0 335.388 4.127 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2cc(C)nc3ccccc32)cc1OC ZINC000012562647 564059640 /nfs/dbraw/zinc/05/96/40/564059640.db2.gz CEUIDBRKBRJORE-PKNBQFBNSA-N 0 0 348.402 4.212 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3ccccc3c2)c1C ZINC000003509804 564059898 /nfs/dbraw/zinc/05/98/98/564059898.db2.gz IGXMQGZBAQPJJD-UHFFFAOYSA-N 0 0 349.386 4.027 50 0 EIAARN CC(C)Oc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012583095 564060084 /nfs/dbraw/zinc/06/00/84/564060084.db2.gz TVVVCAXCXVBMER-IBGZPJMESA-N 0 0 349.434 4.327 50 0 EIAARN CN(C)c1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000012585852 564060127 /nfs/dbraw/zinc/06/01/27/564060127.db2.gz KWMRTYFRXZXNCM-UHFFFAOYSA-N 0 0 343.477 4.119 50 0 EIAARN COc1ccc(CNC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1 ZINC000012607333 564060504 /nfs/dbraw/zinc/06/05/04/564060504.db2.gz FBHSDHCBSUAAAO-UHFFFAOYSA-N 0 0 348.446 4.092 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2)N1C1CC1 ZINC000012609030 564060541 /nfs/dbraw/zinc/06/05/41/564060541.db2.gz YUHQMUVTNXFAIG-MRXNPFEDSA-N 0 0 343.224 4.178 50 0 EIAARN Cc1cnc([C@@H](N[C@H](C)c2ccc3c(c2)OCCCO3)C2CC2)s1 ZINC000120919913 564060602 /nfs/dbraw/zinc/06/06/02/564060602.db2.gz QNCWZWJUYKSEOA-ACJLOTCBSA-N 0 0 344.480 4.415 50 0 EIAARN O=C(Nc1cccc2cccnc21)c1ccc(F)cc1Br ZINC000012615879 564060641 /nfs/dbraw/zinc/06/06/41/564060641.db2.gz LMLFEXBPYFZCIU-UHFFFAOYSA-N 0 0 345.171 4.389 50 0 EIAARN COc1ccccc1NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000012618595 564060692 /nfs/dbraw/zinc/06/06/92/564060692.db2.gz HLQNSMPOCXZLOS-UHFFFAOYSA-N 0 0 336.391 4.230 50 0 EIAARN Cc1c(Cl)ccc(NC(=O)N(C)C[C@H]2CCCCO2)c1Cl ZINC000299774419 564060836 /nfs/dbraw/zinc/06/08/36/564060836.db2.gz CXURITGDEZDWFZ-LLVKDONJSA-N 0 0 331.243 4.335 50 0 EIAARN Cc1cccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c1C ZINC000015318658 564060853 /nfs/dbraw/zinc/06/08/53/564060853.db2.gz MITRJXKZDQCSGE-UHFFFAOYSA-N 0 0 325.408 4.034 50 0 EIAARN CCOc1c(Cl)cc(C(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000015339879 564060896 /nfs/dbraw/zinc/06/08/96/564060896.db2.gz QPLWJYZNPNZPHC-LBPRGKRZSA-N 0 0 333.815 4.238 50 0 EIAARN CCC[C@H]1CCCN1C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1 ZINC000534584159 564061117 /nfs/dbraw/zinc/06/11/17/564061117.db2.gz MZMOHYDAMGRIFS-INIZCTEOSA-N 0 0 343.858 4.389 50 0 EIAARN Cc1[nH]nc(C2CC2)c1-c1cccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000534591673 564061229 /nfs/dbraw/zinc/06/12/29/564061229.db2.gz GOJFZYBCVLLCRO-KDURUIRLSA-N 0 0 347.462 4.301 50 0 EIAARN Cc1ccc(CN(C)C(=O)N[C@H](CC(C)(C)C)c2cccnc2)o1 ZINC000534658139 564061469 /nfs/dbraw/zinc/06/14/69/564061469.db2.gz XSWBXYHRNIZDNN-QGZVFWFLSA-N 0 0 329.444 4.302 50 0 EIAARN CC(C)c1nnc(NC(=O)C[C@H](c2ccsc2)n2cccc2)s1 ZINC000263587749 564061894 /nfs/dbraw/zinc/06/18/94/564061894.db2.gz KURGISGDMNUANV-CYBMUJFWSA-N 0 0 346.481 4.143 50 0 EIAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)Nc1nncs1 ZINC000263588556 564061908 /nfs/dbraw/zinc/06/19/08/564061908.db2.gz VRISPFBBCUIUHU-QGZVFWFLSA-N 0 0 348.431 4.111 50 0 EIAARN COc1ccc(CN[C@H](c2nc3ccccc3[nH]2)C(C)C)c(OC)c1 ZINC000078420523 564061961 /nfs/dbraw/zinc/06/19/61/564061961.db2.gz WRNWOVYZNFICJE-IBGZPJMESA-N 0 0 339.439 4.067 50 0 EIAARN CCn1c(C)cc(C2=NNC(=Nc3ccccc3OC)SC2)c1C ZINC000015405316 564061981 /nfs/dbraw/zinc/06/19/81/564061981.db2.gz DYNIADTVHASSMM-UHFFFAOYSA-N 0 0 342.468 4.052 50 0 EIAARN O=C(Cc1cccc2ccccc21)Nc1cccc(N2CCCC2=O)c1 ZINC000005440539 564062420 /nfs/dbraw/zinc/06/24/20/564062420.db2.gz MMZLMLFQQUGXNW-UHFFFAOYSA-N 0 0 344.414 4.148 50 0 EIAARN Cc1ccc(NC(=O)CCc2ccccc2)cc1N1CCCCC1=O ZINC000005441777 564062470 /nfs/dbraw/zinc/06/24/70/564062470.db2.gz IKCDBGJDSSBBAE-UHFFFAOYSA-N 0 0 336.435 4.083 50 0 EIAARN CCn1nc(NC(=O)c2ccccc2)c2cc3cccc(C)c3nc21 ZINC000001270905 564062838 /nfs/dbraw/zinc/06/28/38/564062838.db2.gz JBLKSHKGHWOULZ-UHFFFAOYSA-N 0 0 330.391 4.165 50 0 EIAARN Cc1noc(C)c1Cn1cccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000263617694 564062950 /nfs/dbraw/zinc/06/29/50/564062950.db2.gz PDFJHPZBKFJSEU-UHFFFAOYSA-N 0 0 334.379 4.167 50 0 EIAARN S=c1[nH]nc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 ZINC000001293742 564063043 /nfs/dbraw/zinc/06/30/43/564063043.db2.gz PQXOHDIQJFCWFC-UHFFFAOYSA-N 0 0 338.461 4.174 50 0 EIAARN C[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2ccccc21 ZINC000001332647 564063217 /nfs/dbraw/zinc/06/32/17/564063217.db2.gz FGLJJBKBWYHUEG-ZDUSSCGKSA-N 0 0 341.480 4.000 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000083562320 564063385 /nfs/dbraw/zinc/06/33/85/564063385.db2.gz GKVGNCJNIAXOPV-NDGTYSDOSA-N 0 0 349.862 4.483 50 0 EIAARN CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000083843917 564063773 /nfs/dbraw/zinc/06/37/73/564063773.db2.gz CGFQQSYIJYZPHN-SJBKTWHCSA-N 0 0 342.442 4.433 50 0 EIAARN CCCn1c(=O)cc(C(F)(F)F)nc1SCc1ccc(C)cc1 ZINC000001383395 564064065 /nfs/dbraw/zinc/06/40/65/564064065.db2.gz AKOOIQANRYDABH-UHFFFAOYSA-N 0 0 342.386 4.273 50 0 EIAARN COc1cccc(-c2noc(CN3c4ccccc4CC[C@@H]3C)n2)c1 ZINC000012736830 564064681 /nfs/dbraw/zinc/06/46/81/564064681.db2.gz KYSTVIBLPXVRIM-AWEZNQCLSA-N 0 0 335.407 4.087 50 0 EIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@@H](C)c1ccccc1 ZINC000012743084 564065520 /nfs/dbraw/zinc/06/55/20/564065520.db2.gz HLLKRFUHBXOSHK-AWEZNQCLSA-N 0 0 348.450 4.381 50 0 EIAARN COc1cccnc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000083984311 564065557 /nfs/dbraw/zinc/06/55/57/564065557.db2.gz NQVLHHALDYEYCV-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c(F)c1 ZINC000012745175 564065611 /nfs/dbraw/zinc/06/56/11/564065611.db2.gz OGVFKWVVBXNZEL-UHFFFAOYSA-N 0 0 338.338 4.232 50 0 EIAARN Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1F ZINC000012744994 564065632 /nfs/dbraw/zinc/06/56/32/564065632.db2.gz HIVUIDVVQKPCNT-UHFFFAOYSA-N 0 0 335.382 4.061 50 0 EIAARN Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccccc1F ZINC000084013673 564065786 /nfs/dbraw/zinc/06/57/86/564065786.db2.gz UBGSPOKGZGGCIQ-UHFFFAOYSA-N 0 0 343.333 4.051 50 0 EIAARN Cc1ccc(NC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016649294 564066079 /nfs/dbraw/zinc/06/60/79/564066079.db2.gz NMLVGBUNETXZDG-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN CCOc1cc(C(=O)NCCCc2ccc(F)cc2)cc2occc21 ZINC000223283236 564066705 /nfs/dbraw/zinc/06/67/05/564066705.db2.gz ZEUSIOFSTQXNBB-UHFFFAOYSA-N 0 0 341.382 4.333 50 0 EIAARN Cc1cc(CSc2ccccc2C(=O)N2C[C@@H]3CCC[C@@H]3C2)on1 ZINC000084124426 564066788 /nfs/dbraw/zinc/06/67/88/564066788.db2.gz MEVXLCZQMHSCCB-GASCZTMLSA-N 0 0 342.464 4.147 50 0 EIAARN CC(C)(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1cccs1 ZINC000084169314 564067099 /nfs/dbraw/zinc/06/70/99/564067099.db2.gz SXFQZRXJHOUFEH-KRWDZBQOSA-N 0 0 349.521 4.303 50 0 EIAARN CC(C)(C)CC(C)(C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000084169648 564067139 /nfs/dbraw/zinc/06/71/39/564067139.db2.gz DKSYAJUVKQTBBG-UHFFFAOYSA-N 0 0 339.483 4.306 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccc(F)cc3)c12 ZINC000012755589 564067196 /nfs/dbraw/zinc/06/71/96/564067196.db2.gz GDVMLJWLMFLGLP-JTQLQIEISA-N 0 0 339.370 4.039 50 0 EIAARN CN(Cc1csc2ccccc12)C(=O)c1cnc2ccccc2n1 ZINC000046921644 564067411 /nfs/dbraw/zinc/06/74/11/564067411.db2.gz GBSSWYUOYJWFRS-UHFFFAOYSA-N 0 0 333.416 4.117 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3CC(C)(C)C)[nH]n2)s1 ZINC000084205721 564067418 /nfs/dbraw/zinc/06/74/18/564067418.db2.gz VDXNITZOEJUHMH-ZDUSSCGKSA-N 0 0 331.485 4.487 50 0 EIAARN CSc1ccc(/C=C/C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 ZINC000073922943 564067492 /nfs/dbraw/zinc/06/74/92/564067492.db2.gz MELLFBROQCXVIL-DLENHJPASA-N 0 0 339.460 4.022 50 0 EIAARN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cccnc1SC1CCCC1 ZINC000084525469 564068462 /nfs/dbraw/zinc/06/84/62/564068462.db2.gz HOVQLHSATVNTIG-MSOLQXFVSA-N 0 0 338.476 4.402 50 0 EIAARN O=C(N[C@@H]1COc2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000084522681 564068516 /nfs/dbraw/zinc/06/85/16/564068516.db2.gz LEZSCDDHVGXIQI-LJQANCHMSA-N 0 0 329.399 4.068 50 0 EIAARN O=C(CCC1CCCCC1)NCCOC(=O)CCC1CCCCC1 ZINC000084543942 564068649 /nfs/dbraw/zinc/06/86/49/564068649.db2.gz JPHYWHJALDBDPC-UHFFFAOYSA-N 0 0 337.504 4.367 50 0 EIAARN c1sc(-c2cnccn2)nc1-c1nc(-c2cc3ccccc3o2)no1 ZINC000084594993 564068867 /nfs/dbraw/zinc/06/88/67/564068867.db2.gz IXHLKLULJSPVQA-UHFFFAOYSA-N 0 0 347.359 4.063 50 0 EIAARN FC(F)(F)c1nc2ccccc2c(N[C@@H]2COc3ccccc32)n1 ZINC000084593253 564068877 /nfs/dbraw/zinc/06/88/77/564068877.db2.gz DYCWEQJDGXQBFE-CYBMUJFWSA-N 0 0 331.297 4.194 50 0 EIAARN OC[C@@H]1CCCCC[C@H]1Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000084593298 564068879 /nfs/dbraw/zinc/06/88/79/564068879.db2.gz KUURZSQKMAORKH-FUHWJXTLSA-N 0 0 348.450 4.045 50 0 EIAARN CC(C)N(C)c1cccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000084597190 564068908 /nfs/dbraw/zinc/06/89/08/564068908.db2.gz XELYCLQJAVBNSR-KRWDZBQOSA-N 0 0 341.459 4.013 50 0 EIAARN CC(CNC(=O)/C=C/c1ccco1)(c1ccccc1)c1ccccc1 ZINC000012771728 564068949 /nfs/dbraw/zinc/06/89/49/564068949.db2.gz PXHCVWMMDQCBKC-CCEZHUSRSA-N 0 0 331.415 4.415 50 0 EIAARN O=C(Nc1nnc(-c2ccsc2)s1)c1cc2c(s1)CCC2 ZINC000084618575 564069122 /nfs/dbraw/zinc/06/91/22/564069122.db2.gz UFPKPPYUPATHAA-UHFFFAOYSA-N 0 0 333.463 4.069 50 0 EIAARN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCC1=CCCCC1 ZINC000084651629 564069343 /nfs/dbraw/zinc/06/93/43/564069343.db2.gz PEHSZQSXMONZJG-OWJWWREXSA-N 0 0 348.512 4.017 50 0 EIAARN C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccccn1 ZINC000084661037 564069517 /nfs/dbraw/zinc/06/95/17/564069517.db2.gz ZMRZSKWQCVBEBT-CQSZACIVSA-N 0 0 335.432 4.119 50 0 EIAARN CC1(COC(=O)c2ccc(-c3nc4ccccc4s3)s2)COC1 ZINC000084673720 564069565 /nfs/dbraw/zinc/06/95/65/564069565.db2.gz CRQVIHVBGOYTGF-UHFFFAOYSA-N 0 0 345.445 4.218 50 0 EIAARN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)Nc3cn[nH]c3)c2)C1 ZINC000084689697 564069608 /nfs/dbraw/zinc/06/96/08/564069608.db2.gz NVSKYIIDYZNTTH-GUYCJALGSA-N 0 0 328.416 4.149 50 0 EIAARN Cc1ccc(-c2nc(CN(Cc3ccc(F)cc3)C3CC3)no2)cc1 ZINC000012777636 564069707 /nfs/dbraw/zinc/06/97/07/564069707.db2.gz FHPKUMJXEKWCSS-UHFFFAOYSA-N 0 0 337.398 4.349 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)cc1OC ZINC000084734804 564069911 /nfs/dbraw/zinc/06/99/11/564069911.db2.gz RHTOWYPPEAWLRK-INIZCTEOSA-N 0 0 331.391 4.234 50 0 EIAARN CCCN1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 ZINC000084755324 564070068 /nfs/dbraw/zinc/07/00/68/564070068.db2.gz NJHRTWUTYAPLJT-UHFFFAOYSA-N 0 0 344.505 4.284 50 0 EIAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1c[nH]c2ccccc12 ZINC000012785080 564070196 /nfs/dbraw/zinc/07/01/96/564070196.db2.gz UPJMXBOOYVRQCC-UHFFFAOYSA-N 0 0 334.375 4.462 50 0 EIAARN COc1cccc(/C=C/C(=O)Nc2cccc(Br)c2)c1 ZINC000005558304 564070391 /nfs/dbraw/zinc/07/03/91/564070391.db2.gz HXSDTCJCXCLSTD-CMDGGOBGSA-N 0 0 332.197 4.110 50 0 EIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2cccnc21 ZINC000012789018 564070394 /nfs/dbraw/zinc/07/03/94/564070394.db2.gz NJRPEUJBICEPDZ-LBPRGKRZSA-N 0 0 326.783 4.294 50 0 EIAARN Cc1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1 ZINC000015669574 564070397 /nfs/dbraw/zinc/07/03/97/564070397.db2.gz FUTYFBSJLVWJJF-UHFFFAOYSA-N 0 0 327.409 4.068 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)N3CCCc4ccccc43)c1CO2 ZINC000015677619 564070647 /nfs/dbraw/zinc/07/06/47/564070647.db2.gz WVMSEHLEUACOEW-UHFFFAOYSA-N 0 0 346.386 4.135 50 0 EIAARN O=C1SC(=CNc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000005946929 564070664 /nfs/dbraw/zinc/07/06/64/564070664.db2.gz IJFXARQQNGZHAJ-XNTDXEJSSA-N 0 0 344.823 4.489 50 0 EIAARN Cc1nc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)no1 ZINC000184944501 564070764 /nfs/dbraw/zinc/07/07/64/564070764.db2.gz UPJKSIHYSHYVEV-SECBINFHSA-N 0 0 348.859 4.314 50 0 EIAARN Cc1nc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)no1 ZINC000184944518 564070795 /nfs/dbraw/zinc/07/07/95/564070795.db2.gz UPJKSIHYSHYVEV-VIFPVBQESA-N 0 0 348.859 4.314 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1ccc(C)cc1C ZINC000012800304 564072486 /nfs/dbraw/zinc/07/24/86/564072486.db2.gz JWXPTQCTZZPVCG-UHFFFAOYSA-N 0 0 347.462 4.378 50 0 EIAARN CC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC ZINC000012809233 564072631 /nfs/dbraw/zinc/07/26/31/564072631.db2.gz HKJRVCXHCMSPIQ-OAHLLOKOSA-N 0 0 349.434 4.076 50 0 EIAARN CC1CCN(c2ncnc3c4cc(Br)ccc4oc32)CC1 ZINC000005252958 564072682 /nfs/dbraw/zinc/07/26/82/564072682.db2.gz ZFZRHICEIGZXBD-UHFFFAOYSA-N 0 0 346.228 4.375 50 0 EIAARN CN(C(=O)c1noc2c1CCc1sccc1-2)c1ccccc1Cl ZINC000015733210 564072735 /nfs/dbraw/zinc/07/27/35/564072735.db2.gz CAGKCADUIMFDCF-UHFFFAOYSA-N 0 0 344.823 4.432 50 0 EIAARN CC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1nccs1 ZINC000011907429 564072933 /nfs/dbraw/zinc/07/29/33/564072933.db2.gz WPIKFUJJCORBAU-ZDUSSCGKSA-N 0 0 329.450 4.201 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccccc1C ZINC000012816751 564073208 /nfs/dbraw/zinc/07/32/08/564073208.db2.gz BVIZMUVDWGNBAK-OAHLLOKOSA-N 0 0 333.435 4.289 50 0 EIAARN Cc1c(C[NH2+]C(C)(C)C)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000015776992 564073843 /nfs/dbraw/zinc/07/38/43/564073843.db2.gz MVEKHYYQQOGWMG-UHFFFAOYSA-N 0 0 342.483 4.356 50 0 EIAARN Cc1ccc(-c2nc3nc(C)cc(NCc4ccc(F)cc4)n3n2)cc1 ZINC000015785025 564074432 /nfs/dbraw/zinc/07/44/32/564074432.db2.gz PYMTUAPVAKROEY-UHFFFAOYSA-N 0 0 347.397 4.159 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000012821766 564074562 /nfs/dbraw/zinc/07/45/62/564074562.db2.gz SGWSGTGDZHWKNJ-UHFFFAOYSA-N 0 0 343.423 4.118 50 0 EIAARN COCCn1ccc2cc(C(=O)Nc3ccc4cc[nH]c4c3)ccc21 ZINC000085876531 564075133 /nfs/dbraw/zinc/07/51/33/564075133.db2.gz HTSXVWIEXPENKQ-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 biogenic EIAARN CCC(=O)/C=C/c1ccc2c(c1OC(C)C)C(=O)c1ccccc1C2=O ZINC000005307162 564075191 /nfs/dbraw/zinc/07/51/91/564075191.db2.gz ZSAPSKAWRCRNED-PKNBQFBNSA-N 0 0 348.398 4.242 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)cc1 ZINC000001513801 564075201 /nfs/dbraw/zinc/07/52/01/564075201.db2.gz CFZNVWNPKMDGHT-UHFFFAOYSA-N 0 0 337.242 4.037 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000012857588 564075551 /nfs/dbraw/zinc/07/55/51/564075551.db2.gz FSSOGPQYOMPDAR-HNNXBMFYSA-N 0 0 343.448 4.431 50 0 EIAARN CCc1cnc([C@H](C)NC(=O)N([C@H](C)c2ccccn2)C2CC2)s1 ZINC000086428806 564075657 /nfs/dbraw/zinc/07/56/57/564075657.db2.gz IZYOPJBWISDIMJ-QWHCGFSZSA-N 0 0 344.484 4.097 50 0 EIAARN CCC(CC)NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C ZINC000012859342 564075679 /nfs/dbraw/zinc/07/56/79/564075679.db2.gz XFRTTXBIJPETFX-UHFFFAOYSA-N 0 0 343.452 4.487 50 0 EIAARN COc1ccc(C(C)=O)cc1CN1c2cccc3cccc(c23)C1=O ZINC000006128198 564075750 /nfs/dbraw/zinc/07/57/50/564075750.db2.gz ALYLRCRWKTWWKM-UHFFFAOYSA-N 0 0 331.371 4.211 50 0 EIAARN CSc1ccccc1NC(=O)CCc1c(C)nc(SC)nc1C ZINC000012861384 564075778 /nfs/dbraw/zinc/07/57/78/564075778.db2.gz OSXAHPLOQMROFS-UHFFFAOYSA-N 0 0 347.509 4.109 50 0 EIAARN O=S(=O)(c1ccccc1)C(Cc1ccccc1)Cc1ccccc1 ZINC000000399393 564075957 /nfs/dbraw/zinc/07/59/57/564075957.db2.gz AYNNBKOPYXKXRW-UHFFFAOYSA-N 0 0 336.456 4.314 50 0 EIAARN CSc1ncccc1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000012869896 564076008 /nfs/dbraw/zinc/07/60/08/564076008.db2.gz NAXKMYHPIJPSNA-UHFFFAOYSA-N 0 0 341.263 4.383 50 0 EIAARN Cc1nc(CSc2nnc(C3CC3)n2-c2ccccc2)cs1 ZINC000006128682 564076167 /nfs/dbraw/zinc/07/61/67/564076167.db2.gz URBCYMKSFGMCKH-UHFFFAOYSA-N 0 0 328.466 4.202 50 0 EIAARN CCOC(=O)Nc1nc2cc(C=Cc3ccccc3Cl)ccc2[nH]1 ZINC000043761144 564076197 /nfs/dbraw/zinc/07/61/97/564076197.db2.gz UUTMJBWUVCSHGD-VQHVLOKHSA-N 0 0 341.798 4.377 50 0 EIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(F)cc1 ZINC000012871016 564076381 /nfs/dbraw/zinc/07/63/81/564076381.db2.gz HFQAGWHUOPQXLV-UHFFFAOYSA-N 0 0 338.386 4.281 50 0 EIAARN Cc1ccccc1OCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000012877770 564076679 /nfs/dbraw/zinc/07/66/79/564076679.db2.gz FFELXCDNOHSKHP-LJQANCHMSA-N 0 0 329.827 4.295 50 0 EIAARN CCC(=O)Nc1nc2cc(NC(=O)c3cccc(C)c3)ccc2s1 ZINC000015863756 564077144 /nfs/dbraw/zinc/07/71/44/564077144.db2.gz LSZYNQOBSPURGS-UHFFFAOYSA-N 0 0 339.420 4.206 50 0 EIAARN Cc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3nnnn32)cc1 ZINC000015866419 564077193 /nfs/dbraw/zinc/07/71/93/564077193.db2.gz FKTRJMASJLQAGW-RBUKOAKNSA-N 0 0 333.439 4.251 50 0 EIAARN COc1ccc([C@H](NCc2nc(C)cs2)c2ccc(F)cc2)cc1 ZINC000117384116 564077311 /nfs/dbraw/zinc/07/73/11/564077311.db2.gz XSFKDUNHNCZJSM-LJQANCHMSA-N 0 0 342.439 4.478 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)cnc21 ZINC000012882529 564077432 /nfs/dbraw/zinc/07/74/32/564077432.db2.gz RHOBNOAVYNGFPM-GFCCVEGCSA-N 0 0 342.830 4.157 50 0 EIAARN O=C(NCCc1cccc2cccnc21)c1cc2ccccc2s1 ZINC000012886252 564077514 /nfs/dbraw/zinc/07/75/14/564077514.db2.gz YSNITEPTWIIYNW-UHFFFAOYSA-N 0 0 332.428 4.422 50 0 EIAARN Cc1cc(OCCCC(=O)NOCc2ccccc2)ccc1Cl ZINC000012892951 564077606 /nfs/dbraw/zinc/07/76/06/564077606.db2.gz NSHKRDDQSPBHEM-UHFFFAOYSA-N 0 0 333.815 4.055 50 0 EIAARN Cc1ccc(CN(C)C(=O)CN(C)Cc2ccc3ccccc3c2)cc1 ZINC000012896763 564077629 /nfs/dbraw/zinc/07/76/29/564077629.db2.gz LZANYIXSIVVBJI-UHFFFAOYSA-N 0 0 346.474 4.239 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1 ZINC000012906031 564077839 /nfs/dbraw/zinc/07/78/39/564077839.db2.gz BFSIWEKXJQQHLI-UHFFFAOYSA-N 0 0 335.359 4.314 50 0 EIAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000012911679 564078000 /nfs/dbraw/zinc/07/80/00/564078000.db2.gz BSQQYHDOZDDEIX-UHFFFAOYSA-N 0 0 349.217 4.138 50 0 EIAARN Cc1cccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012914855 564078031 /nfs/dbraw/zinc/07/80/31/564078031.db2.gz HZPRRUVLFCORFJ-IBGZPJMESA-N 0 0 329.827 4.295 50 0 EIAARN Cc1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)ccc2o1 ZINC000012925005 564078487 /nfs/dbraw/zinc/07/84/87/564078487.db2.gz DZPNUSDYTIUYCF-JTQLQIEISA-N 0 0 330.771 4.196 50 0 EIAARN O=C(NC1CC1)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000012924679 564078488 /nfs/dbraw/zinc/07/84/88/564078488.db2.gz TVNMGOYEUHPSEM-MRXNPFEDSA-N 0 0 336.218 4.392 50 0 EIAARN Cc1cccc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c1C ZINC000012931332 564078762 /nfs/dbraw/zinc/07/87/62/564078762.db2.gz HDSCIXZXOIEQQU-LBPRGKRZSA-N 0 0 341.382 4.150 50 0 EIAARN O=C(/C=C/c1ccoc1)NCCc1ccc(-c2ccsc2)s1 ZINC000575414093 564078838 /nfs/dbraw/zinc/07/88/38/564078838.db2.gz SKSWVSZUBLNPKY-DAFODLJHSA-N 0 0 329.446 4.442 50 0 EIAARN O=C(CSCc1ccccc1)NCCCc1cc2ccccc2o1 ZINC000575414188 564078909 /nfs/dbraw/zinc/07/89/09/564078909.db2.gz LRRPYGRYNQUHPT-UHFFFAOYSA-N 0 0 339.460 4.415 50 0 EIAARN CCN1CCc2nc3ccccc3c(C(=O)Nc3cccc(C)c3)c2C1 ZINC000012938999 564079406 /nfs/dbraw/zinc/07/94/06/564079406.db2.gz VIHGKKFQKYJKHI-UHFFFAOYSA-N 0 0 345.446 4.174 50 0 EIAARN Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccco2)cc1 ZINC000012945720 564079703 /nfs/dbraw/zinc/07/97/03/564079703.db2.gz AKZZSVADNXGXEQ-UHFFFAOYSA-N 0 0 333.387 4.091 50 0 EIAARN c1c(-c2ccccc2)sc2ncnc(N3CCO[C@@H]4CCC[C@@H]43)c12 ZINC000075103521 564079996 /nfs/dbraw/zinc/07/99/96/564079996.db2.gz KIJFFUDOOALQJH-JKSUJKDBSA-N 0 0 337.448 4.116 50 0 EIAARN OCCCN(Cc1ccc(Cl)c2cccnc12)c1ccccc1 ZINC000075106319 564080125 /nfs/dbraw/zinc/08/01/25/564080125.db2.gz ACMJKALCYJVKLX-UHFFFAOYSA-N 0 0 326.827 4.277 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1F ZINC000075126335 564080407 /nfs/dbraw/zinc/08/04/07/564080407.db2.gz ZQAMZMOUOOUQIV-UHFFFAOYSA-N 0 0 339.370 4.153 50 0 EIAARN CC(C)N(C)c1cccc(NC(=O)NC(C)(C)c2nccs2)c1 ZINC000075140186 564080558 /nfs/dbraw/zinc/08/05/58/564080558.db2.gz DZTLJRHXANRNNE-UHFFFAOYSA-N 0 0 332.473 4.045 50 0 EIAARN CCc1ccc(NC(=O)Nc2cc(NC(C)=O)c(F)cc2F)cc1 ZINC000075138328 564080589 /nfs/dbraw/zinc/08/05/89/564080589.db2.gz UHJLFNPPLZLYGE-UHFFFAOYSA-N 0 0 333.338 4.130 50 0 EIAARN Cc1nn([C@H](C)CC(=O)Oc2ccc(Cl)cc2)c(C)c1Cl ZINC000075146148 564080735 /nfs/dbraw/zinc/08/07/35/564080735.db2.gz UEKVTCWBSNSRCQ-SECBINFHSA-N 0 0 327.211 4.363 50 0 EIAARN C[C@](O)(CNC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000075155375 564080865 /nfs/dbraw/zinc/08/08/65/564080865.db2.gz ICBICUDMLRWXIM-QFIPXVFZSA-N 0 0 349.405 4.130 50 0 EIAARN O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC000075165880 564081028 /nfs/dbraw/zinc/08/10/28/564081028.db2.gz CKLXUCIFHRVCAK-CABCVRRESA-N 0 0 344.436 4.038 50 0 EIAARN O=C1CC(c2cccs2)CC(=O)N1Cc1cccc2ccccc21 ZINC000075172447 564081052 /nfs/dbraw/zinc/08/10/52/564081052.db2.gz DMTDWLTWYDPWCH-UHFFFAOYSA-N 0 0 335.428 4.334 50 0 EIAARN COc1ccc(CC(=O)Oc2ccc(C)cc2C(C)C)cc1OC ZINC000075261154 564081284 /nfs/dbraw/zinc/08/12/84/564081284.db2.gz KBRBWDOWSHMVQA-UHFFFAOYSA-N 0 0 328.408 4.284 50 0 EIAARN OCCOc1ccccc1OCCSCc1ccc(Cl)cc1 ZINC000075284415 564081512 /nfs/dbraw/zinc/08/15/12/564081512.db2.gz HGLFYNBGLZYAJH-UHFFFAOYSA-N 0 0 338.856 4.023 50 0 EIAARN COC(=O)N(C)[C@H](c1cccc2ccccc21)[C@@H]1CCCCC1=O ZINC000075286129 564081569 /nfs/dbraw/zinc/08/15/69/564081569.db2.gz GHFGJVQXQCUTJI-IEBWSBKVSA-N 0 0 325.408 4.338 50 0 EIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)CC(C)(C)C)n2)cc1 ZINC000035318815 564081917 /nfs/dbraw/zinc/08/19/17/564081917.db2.gz HHRZGQGIZAKILL-HNNXBMFYSA-N 0 0 327.428 4.145 50 0 EIAARN Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Br)o1 ZINC000089620814 564081926 /nfs/dbraw/zinc/08/19/26/564081926.db2.gz OYCYYPIWVKBFBX-UHFFFAOYSA-N 0 0 347.168 4.258 50 0 EIAARN Cc1ncsc1C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000390835667 564082187 /nfs/dbraw/zinc/08/21/87/564082187.db2.gz UPTJOMGGBJIQEY-UHFFFAOYSA-N 0 0 347.346 4.169 50 0 EIAARN Cc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccncc3)=NN2)cc1 ZINC000006245053 564083231 /nfs/dbraw/zinc/08/32/31/564083231.db2.gz OZHSKJPJAHTACR-UHFFFAOYSA-N 0 0 346.821 4.477 50 0 EIAARN Cc1cc(C)n([C@@H](CNC(=O)Nc2cccs2)c2ccsc2)n1 ZINC000575614657 564083355 /nfs/dbraw/zinc/08/33/55/564083355.db2.gz ZZFRILOKIJDBLJ-AWEZNQCLSA-N 0 0 346.481 4.034 50 0 EIAARN Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1 ZINC000006300819 564083748 /nfs/dbraw/zinc/08/37/48/564083748.db2.gz LWJORFUELOKRQJ-QGZVFWFLSA-N 0 0 341.480 4.252 50 0 EIAARN CCOc1ccccc1OCCCC(=O)Nc1cc(C)ccc1F ZINC000006308403 564083768 /nfs/dbraw/zinc/08/37/68/564083768.db2.gz XYKILCVXWMQAIH-UHFFFAOYSA-N 0 0 331.387 4.331 50 0 EIAARN O=C(Cc1ccccc1F)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575619930 564083838 /nfs/dbraw/zinc/08/38/38/564083838.db2.gz NFSHMUHPWTVOPQ-UHFFFAOYSA-N 0 0 349.409 4.207 50 0 EIAARN CSc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000006315905 564084559 /nfs/dbraw/zinc/08/45/59/564084559.db2.gz DZNPSGKFNVOKDG-UHFFFAOYSA-N 0 0 333.478 4.088 50 0 EIAARN Cc1sc(-c2ccno2)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000075436428 564084703 /nfs/dbraw/zinc/08/47/03/564084703.db2.gz WVIYMJARVJUYQB-UHFFFAOYSA-N 0 0 348.449 4.129 50 0 EIAARN CCOc1ccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2C)cc1 ZINC000075437135 564084730 /nfs/dbraw/zinc/08/47/30/564084730.db2.gz NCNKVBISRBAAST-UHFFFAOYSA-N 0 0 347.418 4.411 50 0 EIAARN COc1cccc(NC(=O)NCc2cccnc2-c2ccsc2)c1 ZINC000225648284 564084766 /nfs/dbraw/zinc/08/47/66/564084766.db2.gz PWPGVHQHCOMIJR-UHFFFAOYSA-N 0 0 339.420 4.140 50 0 EIAARN CC(C)c1c(C(=O)NC2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000012972629 564084826 /nfs/dbraw/zinc/08/48/26/564084826.db2.gz FSRQYPHHHZUERK-UHFFFAOYSA-N 0 0 331.847 4.322 50 0 EIAARN CCOC(=O)c1c2c(sc1NC=CC(=O)c1ccco1)CCCC2 ZINC000006758433 564084831 /nfs/dbraw/zinc/08/48/31/564084831.db2.gz OUDFFQCPAWETTH-MDZDMXLPSA-N 0 0 345.420 4.205 50 0 EIAARN Cc1cc(C)c(N2CC[C@@H](S[C@H](C)c3cnccn3)C2=O)c(C)c1 ZINC000191161617 564084872 /nfs/dbraw/zinc/08/48/72/564084872.db2.gz VTBWGZOHKMOKIC-NVXWUHKLSA-N 0 0 341.480 4.002 50 0 EIAARN O=C(c1ccc(F)c(F)c1)N(Cc1ccoc1)Cc1cccs1 ZINC000090612100 564085069 /nfs/dbraw/zinc/08/50/69/564085069.db2.gz ITJQBQBJVSEZFK-UHFFFAOYSA-N 0 0 333.359 4.462 50 0 EIAARN CNC(=S)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000006335513 564085197 /nfs/dbraw/zinc/08/51/97/564085197.db2.gz SDHZVHWYYRONSE-AWEZNQCLSA-N 0 0 343.883 4.047 50 0 EIAARN CCc1nc2cc(CCC(=O)N[C@H](C)CCc3ccccc3)ccc2[nH]1 ZINC000075465565 564085940 /nfs/dbraw/zinc/08/59/40/564085940.db2.gz BEWYISASHHXDAF-MRXNPFEDSA-N 0 0 349.478 4.195 50 0 EIAARN Cc1c(C(=O)Nc2cc(Cl)ccc2F)cnn1-c1ccccc1 ZINC000013011588 564086658 /nfs/dbraw/zinc/08/66/58/564086658.db2.gz KEQIBRZFGWUCBE-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN c1coc(-c2ccnc3nc(CCCc4c[nH]c5ccccc45)nn32)c1 ZINC000253414599 564087009 /nfs/dbraw/zinc/08/70/09/564087009.db2.gz XXZKWMGRKDRRSI-UHFFFAOYSA-N 0 0 343.390 4.041 50 0 EIAARN CCc1ccc([C@@H](C)NC(=O)c2ccc(-c3cccnc3)nc2)cc1 ZINC000075502052 564087135 /nfs/dbraw/zinc/08/71/35/564087135.db2.gz KJTPQKQRKQCTPC-OAHLLOKOSA-N 0 0 331.419 4.197 50 0 EIAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NC(C)C ZINC000075508882 564087332 /nfs/dbraw/zinc/08/73/32/564087332.db2.gz NOJRUSDBIOOTCS-UHFFFAOYSA-N 0 0 333.435 4.045 50 0 EIAARN O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)cc1F ZINC000002648930 564089165 /nfs/dbraw/zinc/08/91/65/564089165.db2.gz ODEBTBVELITPKG-UHFFFAOYSA-N 0 0 342.595 4.423 50 0 EIAARN Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)n[nH]c1C1CC1 ZINC000064347601 564089250 /nfs/dbraw/zinc/08/92/50/564089250.db2.gz QBBXUBHRVJPJNV-UHFFFAOYSA-N 0 0 345.493 4.326 50 0 EIAARN CC(C)[C@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000248174661 564089264 /nfs/dbraw/zinc/08/92/64/564089264.db2.gz UYKZENZPHNDGRF-QRWLVFNGSA-N 0 0 342.508 4.181 50 0 EIAARN O=C(NCCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000006471632 564089432 /nfs/dbraw/zinc/08/94/32/564089432.db2.gz MRERXDLHMIRTFT-UHFFFAOYSA-N 0 0 326.293 4.209 50 0 EIAARN CCn1c2ccncc2nc1SCc1csc(-c2ccoc2)n1 ZINC000089305547 564089561 /nfs/dbraw/zinc/08/95/61/564089561.db2.gz HCQCHXSUKKGQCB-UHFFFAOYSA-N 0 0 342.449 4.460 50 0 EIAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c(C)noc1C ZINC000075572885 564089606 /nfs/dbraw/zinc/08/96/06/564089606.db2.gz QJDRATJTPCMKMV-UYAOXDASSA-N 0 0 340.467 4.409 50 0 EIAARN CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000001948695 564090333 /nfs/dbraw/zinc/09/03/33/564090333.db2.gz YVHWYJHPVWULEP-UHFFFAOYSA-N 0 0 341.407 4.004 50 0 EIAARN Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000016643667 564090911 /nfs/dbraw/zinc/09/09/11/564090911.db2.gz CINLFPNJYSCWLI-UHFFFAOYSA-N 0 0 338.451 4.051 50 0 EIAARN O=C(CCCSc1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000006509889 564091242 /nfs/dbraw/zinc/09/12/42/564091242.db2.gz ZVVAMOUASFZKIA-UHFFFAOYSA-N 0 0 339.420 4.248 50 0 EIAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1nccs1 ZINC000006590591 564092460 /nfs/dbraw/zinc/09/24/60/564092460.db2.gz WVWVTKMCYAXJER-UHFFFAOYSA-N 0 0 335.841 4.481 50 0 EIAARN COc1ccc(Cc2nnc(SCc3nc(C)c(C)s3)o2)cc1 ZINC000089559525 564092890 /nfs/dbraw/zinc/09/28/90/564092890.db2.gz TZTLVJRXXPXDTN-UHFFFAOYSA-N 0 0 347.465 4.035 50 0 EIAARN O=C(OCc1c(F)cccc1Cl)c1cnn(-c2ccccc2)c1 ZINC000006603791 564093038 /nfs/dbraw/zinc/09/30/38/564093038.db2.gz MQGHIWRLBQRCON-UHFFFAOYSA-N 0 0 330.746 4.022 50 0 EIAARN O=c1c2ccccc2c(-c2cc(Cl)ccc2O)nn1-c1ccccc1 ZINC000005604619 564093246 /nfs/dbraw/zinc/09/32/46/564093246.db2.gz CCAUCFUPUIFUSH-UHFFFAOYSA-N 0 0 348.789 4.412 50 0 EIAARN CCC(=O)c1cccc(-c2cccc(C(=O)NCCCSC)c2)c1 ZINC000426373596 564093522 /nfs/dbraw/zinc/09/35/22/564093522.db2.gz JGTWPKTXWPXMSW-UHFFFAOYSA-N 0 0 341.476 4.429 50 0 EIAARN Cc1cccnc1CCNC(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000426399249 564093608 /nfs/dbraw/zinc/09/36/08/564093608.db2.gz PGGRKHJDKPZHFF-LJQANCHMSA-N 0 0 341.430 4.008 50 0 EIAARN C[C@@H]1CN(C(=O)c2cccc(-c3ccc4occc4c3)c2)C[C@H](C)O1 ZINC000426620247 564094282 /nfs/dbraw/zinc/09/42/82/564094282.db2.gz OOAJSAWMDMBICO-GASCZTMLSA-N 0 0 335.403 4.349 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)N[C@@H]1COC2(C1)CCCCC2 ZINC000426701548 564094403 /nfs/dbraw/zinc/09/44/03/564094403.db2.gz DRIFLKBOONWDQS-AWEZNQCLSA-N 0 0 339.888 4.040 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NCCc3ccc(C)cc3)cc3cccc(c32)O1 ZINC000064657872 564094806 /nfs/dbraw/zinc/09/48/06/564094806.db2.gz GYCXRECGJCGBBP-SFHVURJKSA-N 0 0 348.446 4.093 50 0 EIAARN Cc1cc(NC(=O)n2ncc3ccccc32)ccc1Br ZINC000064662488 564094835 /nfs/dbraw/zinc/09/48/35/564094835.db2.gz YNZLSOOXLFNULP-UHFFFAOYSA-N 0 0 330.185 4.187 50 0 EIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1CCCCCC1 ZINC000006639460 564094875 /nfs/dbraw/zinc/09/48/75/564094875.db2.gz PNKONZIDCALVEW-UHFFFAOYSA-N 0 0 345.874 4.346 50 0 EIAARN O=C(N[C@H]1CCSc2ccccc21)c1nc(Cl)ccc1Cl ZINC000006649176 564095083 /nfs/dbraw/zinc/09/50/83/564095083.db2.gz ITTMZVBQSVTXSZ-NSHDSACASA-N 0 0 339.247 4.355 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000064678077 564095323 /nfs/dbraw/zinc/09/53/23/564095323.db2.gz ORRFMXHCPTXYMF-UHFFFAOYSA-N 0 0 345.389 4.286 50 0 EIAARN CCc1nc(-c2ccc(C(=O)NCCc3ccccc3)cc2)cs1 ZINC000064677464 564095351 /nfs/dbraw/zinc/09/53/51/564095351.db2.gz FBJGHCWOKPWFCO-UHFFFAOYSA-N 0 0 336.460 4.345 50 0 EIAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1cc2c(s1)CCCC2 ZINC000006653584 564095460 /nfs/dbraw/zinc/09/54/60/564095460.db2.gz UPUZUUNIFOTLIU-UHFFFAOYSA-N 0 0 346.839 4.285 50 0 EIAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1nonc1-c1ccc(F)cc1 ZINC000006661347 564095562 /nfs/dbraw/zinc/09/55/62/564095562.db2.gz XEOOQESHKGXOSU-XCVCLJGOSA-N 0 0 343.745 4.181 50 0 EIAARN O=C1C(=O)N(Cc2ccccc2Cl)c2c1cccc2C(F)(F)F ZINC000006661300 564095572 /nfs/dbraw/zinc/09/55/72/564095572.db2.gz XRUWFMALLQWMDV-UHFFFAOYSA-N 0 0 339.700 4.088 50 0 EIAARN CN(C[C@@H]1O[C@H]2CCCC[C@H]2c2sccc21)C(=O)c1ccco1 ZINC000006668063 564095667 /nfs/dbraw/zinc/09/56/67/564095667.db2.gz WQYRCQUADIFDJU-INWMFGNUSA-N 0 0 331.437 4.211 50 0 EIAARN CCn1cnc2ccc(-c3noc(Cc4ccc(Cl)cc4)n3)cc21 ZINC000064759491 564096009 /nfs/dbraw/zinc/09/60/09/564096009.db2.gz ZTCSWMYMQCGZIK-UHFFFAOYSA-N 0 0 338.798 4.350 50 0 EIAARN CN(C)c1nc2sc(C(=O)NC(C)(C)CC(C)(C)C)cc2s1 ZINC000064803531 564096344 /nfs/dbraw/zinc/09/63/44/564096344.db2.gz ILAWQJLJNYPXCL-UHFFFAOYSA-N 0 0 339.530 4.368 50 0 EIAARN Cc1ccc(NC(=O)c2cccn2-c2cccnc2C)cc1Cl ZINC000064839223 564096701 /nfs/dbraw/zinc/09/67/01/564096701.db2.gz RQDHJOPGGTYYJA-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN O=C(Nc1nnc(SCCc2ccccc2)s1)C1CCCCC1 ZINC000006740785 564096797 /nfs/dbraw/zinc/09/67/97/564096797.db2.gz FDMAFAZHWPNPET-UHFFFAOYSA-N 0 0 347.509 4.392 50 0 EIAARN Cc1ccc(Nc2n[nH]nc2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000064871368 564097260 /nfs/dbraw/zinc/09/72/60/564097260.db2.gz CFVCLGKKWCOJPG-UHFFFAOYSA-N 0 0 341.802 4.071 50 0 EIAARN Fc1cc(Cl)c(-c2nn3c(nnc3-c3ccccc3)s2)cc1F ZINC000006787815 564097811 /nfs/dbraw/zinc/09/78/11/564097811.db2.gz SZSJYWFCUVWELX-UHFFFAOYSA-N 0 0 348.765 4.451 50 0 EIAARN Cc1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1C ZINC000006788935 564097820 /nfs/dbraw/zinc/09/78/20/564097820.db2.gz RDVCFTVTAYGBBO-UHFFFAOYSA-N 0 0 331.799 4.370 50 0 EIAARN CC(=O)c1cccc(Nc2c(=O)c(=O)c2-c2ccc(C(C)C)cc2)c1 ZINC000006793378 564098022 /nfs/dbraw/zinc/09/80/22/564098022.db2.gz NVSBHOMSJRKDHY-UHFFFAOYSA-N 0 0 333.387 4.019 50 0 EIAARN O=C(c1cnccn1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000155030651 564098024 /nfs/dbraw/zinc/09/80/24/564098024.db2.gz HDSIMNFLEWIEOU-UHFFFAOYSA-N 0 0 348.233 4.103 50 0 EIAARN CCN(c1c(=O)c(=O)c1-c1ccc(C(C)C)cc1)c1ccc(OC)cc1 ZINC000006793526 564098068 /nfs/dbraw/zinc/09/80/68/564098068.db2.gz WMISCGWGVFDUIS-UHFFFAOYSA-N 0 0 349.430 4.240 50 0 EIAARN CC[C@H](C(=O)Nc1cccc(C)c1C)n1sc2ccccc2c1=O ZINC000006800063 564098192 /nfs/dbraw/zinc/09/81/92/564098192.db2.gz XPJXEVZGIOPLKZ-MRXNPFEDSA-N 0 0 340.448 4.270 50 0 EIAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+]C(C)C)c2C(=O)[O-])cc1 ZINC000006803464 564098300 /nfs/dbraw/zinc/09/83/00/564098300.db2.gz SMZLTUOIPSHUPR-UHFFFAOYSA-N 0 0 336.435 4.194 50 0 EIAARN CCC[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000006803264 564098303 /nfs/dbraw/zinc/09/83/03/564098303.db2.gz GUSBACFFKGKUKB-UHFFFAOYSA-N 0 0 340.398 4.027 50 0 EIAARN COc1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 ZINC000006810055 564098490 /nfs/dbraw/zinc/09/84/90/564098490.db2.gz GQFHIHRQQVLZSU-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN CCOc1ccccc1NC(=O)c1cc(=O)c2ccc(C)c(C)c2o1 ZINC000006811356 564098614 /nfs/dbraw/zinc/09/86/14/564098614.db2.gz STQMTKQITBSYJN-UHFFFAOYSA-N 0 0 337.375 4.061 50 0 EIAARN CCCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(C)ccc21 ZINC000064963685 564098658 /nfs/dbraw/zinc/09/86/58/564098658.db2.gz QLALNKNUDBRIKR-UHFFFAOYSA-N 0 0 345.402 4.437 50 0 EIAARN Cc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)c1 ZINC000006815759 564098669 /nfs/dbraw/zinc/09/86/69/564098669.db2.gz SDMCQOBHYUAHBG-UHFFFAOYSA-N 0 0 333.391 4.176 50 0 EIAARN Cc1nnc(SC[C@H](O)c2ccc(F)cc2)n1C1CCCCC1 ZINC000066347373 564098770 /nfs/dbraw/zinc/09/87/70/564098770.db2.gz WUFWRDNBDPRWLL-INIZCTEOSA-N 0 0 335.448 4.057 50 0 EIAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccccc3C)c(C)c2)on1 ZINC000064979649 564098912 /nfs/dbraw/zinc/09/89/12/564098912.db2.gz RBZKAGHLFCRYJF-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 ZINC000006833706 564099210 /nfs/dbraw/zinc/09/92/10/564099210.db2.gz CFIGYKSADSQWAZ-LBPRGKRZSA-N 0 0 344.436 4.150 50 0 EIAARN CC[C@@H](C(=O)Nc1ccncc1F)c1cccc(C(F)(F)F)c1 ZINC000156470881 564099281 /nfs/dbraw/zinc/09/92/81/564099281.db2.gz PACAYJOAAJPABF-GFCCVEGCSA-N 0 0 326.293 4.372 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1SCCC2=O ZINC000006841434 564099374 /nfs/dbraw/zinc/09/93/74/564099374.db2.gz XNUMDPSUOSSKNY-UHFFFAOYSA-N 0 0 335.787 4.410 50 0 EIAARN Cc1ccc2c(c1)N(C(=O)Nc1cccc(Br)c1)CCO2 ZINC000006842594 564099417 /nfs/dbraw/zinc/09/94/17/564099417.db2.gz RXTBSWLDPSNEIR-UHFFFAOYSA-N 0 0 347.212 4.188 50 0 EIAARN CCOc1ccccc1NC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 ZINC000006842767 564099466 /nfs/dbraw/zinc/09/94/66/564099466.db2.gz XERFDWGBBRCBKZ-CQSZACIVSA-N 0 0 326.396 4.213 50 0 EIAARN CNC(=O)CCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000006858080 564099675 /nfs/dbraw/zinc/09/96/75/564099675.db2.gz XQIMQFQAQIYYSN-UHFFFAOYSA-N 0 0 326.827 4.022 50 0 EIAARN COC(=O)c1cc(OCc2ccc(Cl)cc2)c2cc(F)ccc2n1 ZINC000065033335 564099845 /nfs/dbraw/zinc/09/98/45/564099845.db2.gz QVVDIQAFYINMAL-UHFFFAOYSA-N 0 0 345.757 4.393 50 0 EIAARN Cc1ccc(C)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c1 ZINC000169755500 564100164 /nfs/dbraw/zinc/10/01/64/564100164.db2.gz KNDCZSGBDSHGQM-UHFFFAOYSA-N 0 0 346.434 4.151 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000157101741 564100280 /nfs/dbraw/zinc/10/02/80/564100280.db2.gz VCZUHYUIDNPGGL-PMACEKPBSA-N 0 0 338.451 4.085 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)N1CCSc2ccccc21 ZINC000006876851 564100327 /nfs/dbraw/zinc/10/03/27/564100327.db2.gz MYJDXUUHJIUTBY-UHFFFAOYSA-N 0 0 334.828 4.493 50 0 EIAARN COc1ccc(NC(=O)c2ccnc(-c3ccsc3)c2)cc1OC ZINC000065063131 564100528 /nfs/dbraw/zinc/10/05/28/564100528.db2.gz YWUBDSDDMRENTG-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN COc1ccc(-c2noc(Nc3cccc(SC)c3)n2)cc1OC ZINC000006899811 564100981 /nfs/dbraw/zinc/10/09/81/564100981.db2.gz GYLNVNWWLMRZIJ-UHFFFAOYSA-N 0 0 343.408 4.219 50 0 EIAARN Cc1c2cc(C)ccc2oc1-c1noc(-c2ccc3c(c2)OCO3)n1 ZINC000065097195 564101033 /nfs/dbraw/zinc/10/10/33/564101033.db2.gz HWEBOZDGKDVGJV-UHFFFAOYSA-N 0 0 334.331 4.495 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)Nc1nc2c(s1)CCCC2 ZINC000006903872 564101121 /nfs/dbraw/zinc/10/11/21/564101121.db2.gz JIPOAPYCONJNOI-UHFFFAOYSA-N 0 0 336.844 4.001 50 0 EIAARN C=C1C(Nc2cccc(C)c2C)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000006902180 564101123 /nfs/dbraw/zinc/10/11/23/564101123.db2.gz UQLSRWYZJURPPW-UHFFFAOYSA-N 0 0 344.411 4.028 50 0 EIAARN CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(SC)cc1 ZINC000065118454 564101422 /nfs/dbraw/zinc/10/14/22/564101422.db2.gz JEKULCOCTIEJFD-UHFFFAOYSA-N 0 0 343.477 4.470 50 0 EIAARN CC(C)c1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)cc1 ZINC000065118489 564101437 /nfs/dbraw/zinc/10/14/37/564101437.db2.gz OHMPINJRFSTJHD-UHFFFAOYSA-N 0 0 329.400 4.449 50 0 EIAARN CCOc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1 ZINC000065137131 564101511 /nfs/dbraw/zinc/10/15/11/564101511.db2.gz ZLTHRYNXJDWFDB-UHFFFAOYSA-N 0 0 332.363 4.192 50 0 EIAARN COc1ccc(C=Cc2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1 ZINC000065137110 564101516 /nfs/dbraw/zinc/10/15/16/564101516.db2.gz LCDCTSOJYVGBIM-JXMROGBWSA-N 0 0 344.374 4.306 50 0 EIAARN Cn1nccc1-c1cccc(-c2noc(-c3ccccc3Cl)n2)c1 ZINC000065137293 564101520 /nfs/dbraw/zinc/10/15/20/564101520.db2.gz YEUBBMPSTCPCCL-UHFFFAOYSA-N 0 0 336.782 4.458 50 0 EIAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccs2)on1 ZINC000006926716 564101521 /nfs/dbraw/zinc/10/15/21/564101521.db2.gz BZMJWSVVMXRPSV-UHFFFAOYSA-N 0 0 328.437 4.102 50 0 EIAARN CCn1c2ccc(-c3noc(/C=C/c4ccc(C)cc4)n3)cc2oc1=O ZINC000065138261 564101560 /nfs/dbraw/zinc/10/15/60/564101560.db2.gz XWFQMFPRYJUSKI-DHZHZOJOSA-N 0 0 347.374 4.143 50 0 EIAARN CCCn1cc2c3c1cccc3CN(C(=O)c1ccc(F)cc1)CC2 ZINC000065148644 564101634 /nfs/dbraw/zinc/10/16/34/564101634.db2.gz NJXWUXJPBCVPCM-UHFFFAOYSA-N 0 0 336.410 4.389 50 0 EIAARN CCn1cc2c3c1cccc3CN(C(=O)Nc1ccccc1OC)CC2 ZINC000065148820 564101643 /nfs/dbraw/zinc/10/16/43/564101643.db2.gz MBMNRPVJYPUMFA-UHFFFAOYSA-N 0 0 349.434 4.260 50 0 EIAARN CC1=C(C(=O)Nc2cccc(C)c2C)C2(CCCCCC2)OC1=O ZINC000006933567 564101723 /nfs/dbraw/zinc/10/17/23/564101723.db2.gz QCTAKJWGGLWVCN-UHFFFAOYSA-N 0 0 327.424 4.208 50 0 biogenic EIAARN CCOc1ccc(Cc2nc(-c3ccc4oc(CC)nc4c3)no2)cc1 ZINC000065149740 564101791 /nfs/dbraw/zinc/10/17/91/564101791.db2.gz YMTPNELEDGKFFQ-UHFFFAOYSA-N 0 0 349.390 4.430 50 0 EIAARN CCc1nc2cc(-c3noc(CCc4ccc(OC)cc4)n3)ccc2o1 ZINC000065149729 564101811 /nfs/dbraw/zinc/10/18/11/564101811.db2.gz OUUSAKZGDIHPTL-UHFFFAOYSA-N 0 0 349.390 4.234 50 0 EIAARN c1ccc(-c2nc3cc(-c4noc([C@@H]5CCOC5)n4)ccc3o2)cc1 ZINC000065149811 564101826 /nfs/dbraw/zinc/10/18/26/564101826.db2.gz LITNYAQCWNSAEM-CQSZACIVSA-N 0 0 333.347 4.049 50 0 EIAARN O=C(C1CCCCC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000006941821 564101973 /nfs/dbraw/zinc/10/19/73/564101973.db2.gz GQCPRTGWNYZNKF-HNNXBMFYSA-N 0 0 344.480 4.389 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942248 564101977 /nfs/dbraw/zinc/10/19/77/564101977.db2.gz OXPXKBZFVNQYIO-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1 ZINC000006943218 564101985 /nfs/dbraw/zinc/10/19/85/564101985.db2.gz CZILOOMTILLODZ-UHFFFAOYSA-N 0 0 333.435 4.356 50 0 EIAARN O=C(Cc1ccccc1F)N1CCC(CCOc2ccccc2)CC1 ZINC000065180549 564102364 /nfs/dbraw/zinc/10/23/64/564102364.db2.gz JLLWGGZTTRQMRC-UHFFFAOYSA-N 0 0 341.426 4.076 50 0 EIAARN O=C(c1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1 ZINC000065181209 564102395 /nfs/dbraw/zinc/10/23/95/564102395.db2.gz IPBHUOOYEUJWPE-UHFFFAOYSA-N 0 0 344.842 4.056 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000006968455 564102437 /nfs/dbraw/zinc/10/24/37/564102437.db2.gz YHCXMDBTVMSDCO-NSHDSACASA-N 0 0 330.434 4.278 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000006968457 564102444 /nfs/dbraw/zinc/10/24/44/564102444.db2.gz YHCXMDBTVMSDCO-LLVKDONJSA-N 0 0 330.434 4.278 50 0 EIAARN CCCNC(=O)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1 ZINC000065178230 564102524 /nfs/dbraw/zinc/10/25/24/564102524.db2.gz RGENMUHYUXYWAX-UHFFFAOYSA-N 0 0 337.467 4.269 50 0 EIAARN Cc1nc(SCC(=O)NC2CCCC2)n(C2CCCCC2)c1C ZINC000006973258 564102549 /nfs/dbraw/zinc/10/25/49/564102549.db2.gz WXSZUTLMZMXPJP-UHFFFAOYSA-N 0 0 335.517 4.156 50 0 EIAARN CC(C)CCN(Cc1ccco1)C(=O)c1noc2c1CCCCC2 ZINC000007000103 564102717 /nfs/dbraw/zinc/10/27/17/564102717.db2.gz KYBIKFPVHONYPP-UHFFFAOYSA-N 0 0 330.428 4.225 50 0 EIAARN CCc1ccc(C(=O)NC[C@]2(c3ccccc3)CCCOCC2)cc1 ZINC000065226100 564103081 /nfs/dbraw/zinc/10/30/81/564103081.db2.gz FEEVBSMCVSADGU-QFIPXVFZSA-N 0 0 337.463 4.117 50 0 EIAARN CCOc1ccc(C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)cc1 ZINC000007028513 564103223 /nfs/dbraw/zinc/10/32/23/564103223.db2.gz TVQZEVMWNMIYND-ZDUSSCGKSA-N 0 0 343.448 4.407 50 0 EIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)sn2)cc1 ZINC000065233098 564103243 /nfs/dbraw/zinc/10/32/43/564103243.db2.gz CPORGVCFRKKEBR-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN Cc1cccc(OCCCC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000007107159 564104861 /nfs/dbraw/zinc/10/48/61/564104861.db2.gz QHCWOASZFVYOSK-UHFFFAOYSA-N 0 0 338.451 4.393 50 0 EIAARN CCn1cc(-c2ccc(C)cc2)cc1C(=O)N[C@H](C)c1ccccn1 ZINC000065307127 564104923 /nfs/dbraw/zinc/10/49/23/564104923.db2.gz OPDWXJJQCMJWLW-MRXNPFEDSA-N 0 0 333.435 4.369 50 0 EIAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1n[nH]c2ccccc21 ZINC000007140918 564105403 /nfs/dbraw/zinc/10/54/03/564105403.db2.gz CGXQHBUTAWYNMC-UHFFFAOYSA-N 0 0 334.423 4.196 50 0 EIAARN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000007218258 564105848 /nfs/dbraw/zinc/10/58/48/564105848.db2.gz NIENFXKRTDSQEM-UHFFFAOYSA-N 0 0 345.851 4.314 50 0 EIAARN C[C@H](C(=O)NC1CCCCC1)N(C)Cc1cccc(Cl)c1Cl ZINC000007266093 564106152 /nfs/dbraw/zinc/10/61/52/564106152.db2.gz MBSNTDPBBCEVGM-GFCCVEGCSA-N 0 0 343.298 4.263 50 0 EIAARN CCCc1noc([C@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000065477522 564106286 /nfs/dbraw/zinc/10/62/86/564106286.db2.gz FJBBZOLBNSXAGW-ZDUSSCGKSA-N 0 0 340.427 4.104 50 0 EIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1oc2ccccc2c1C ZINC000007272823 564106292 /nfs/dbraw/zinc/10/62/92/564106292.db2.gz PFUJAZQTKRATRV-UHFFFAOYSA-N 0 0 337.375 4.132 50 0 EIAARN CC(=O)NCc1ccc(-c2csc(-c3cccc(F)c3)n2)s1 ZINC000007274034 564106299 /nfs/dbraw/zinc/10/62/99/564106299.db2.gz ZQZBPWSQESZBOA-UHFFFAOYSA-N 0 0 332.425 4.314 50 0 EIAARN Cc1ccn2cc(C(=O)Nc3ccccc3Cc3ccccc3)nc2c1 ZINC000007286580 564106462 /nfs/dbraw/zinc/10/64/62/564106462.db2.gz CJJZGTSLQIDRJP-UHFFFAOYSA-N 0 0 341.414 4.486 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1(C)C ZINC000065493378 564106469 /nfs/dbraw/zinc/10/64/69/564106469.db2.gz ICYFQUSHKHYEBU-PBHICJAKSA-N 0 0 327.403 4.188 50 0 EIAARN CCCCC(=O)N(C)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000007319153 564106767 /nfs/dbraw/zinc/10/67/67/564106767.db2.gz NCEXPROYHQSIPZ-UHFFFAOYSA-N 0 0 333.501 4.159 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000065530494 564106933 /nfs/dbraw/zinc/10/69/33/564106933.db2.gz QZJMEIVRROYAGG-CMPLNLGQSA-N 0 0 343.452 4.224 50 0 EIAARN CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(F)cc2F)n1 ZINC000065562722 564106976 /nfs/dbraw/zinc/10/69/76/564106976.db2.gz VPKJUUMJBMOBSH-UHFFFAOYSA-N 0 0 343.333 4.391 50 0 EIAARN Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007343826 564107266 /nfs/dbraw/zinc/10/72/66/564107266.db2.gz CPGZGGGYZVYBAX-UHFFFAOYSA-N 0 0 334.206 4.290 50 0 EIAARN O=C(Nc1cccc2[nH]ccc21)c1cc(Cl)c2c(c1)OCCCO2 ZINC000065562397 564107594 /nfs/dbraw/zinc/10/75/94/564107594.db2.gz QMNLPRRXXMEJSL-UHFFFAOYSA-N 0 0 342.782 4.235 50 0 EIAARN CC(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000065579084 564107741 /nfs/dbraw/zinc/10/77/41/564107741.db2.gz OOZAJSLEQVCHNL-UHFFFAOYSA-N 0 0 340.276 4.055 50 0 EIAARN C[C@@H](NC(=O)C1CCOCC1)c1ccccc1Oc1ccccc1 ZINC000065603555 564108136 /nfs/dbraw/zinc/10/81/36/564108136.db2.gz YTRFMHZEZCKMGL-OAHLLOKOSA-N 0 0 325.408 4.083 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1C ZINC000065607100 564108185 /nfs/dbraw/zinc/10/81/85/564108185.db2.gz GNDIKVBSWFSQCV-CYBMUJFWSA-N 0 0 343.427 4.436 50 0 EIAARN CC(C)c1cc(-c2nc(-c3ccc(Br)cc3)no2)n[nH]1 ZINC000007424949 564108304 /nfs/dbraw/zinc/10/83/04/564108304.db2.gz PKFZTRHJROLWPL-UHFFFAOYSA-N 0 0 333.189 4.013 50 0 EIAARN CCCn1ccc2cc(NC(=O)[C@H](OC)c3ccc(O)cc3)ccc21 ZINC000170596518 564109111 /nfs/dbraw/zinc/10/91/11/564109111.db2.gz FEZGKPKKIPJRBH-LJQANCHMSA-N 0 0 338.407 4.083 50 0 EIAARN CC(C)C[C@H](O)CNc1ncnc2sc(-c3ccccc3)cc21 ZINC000170600306 564109258 /nfs/dbraw/zinc/10/92/58/564109258.db2.gz NZJOXWNRLJPMIG-AWEZNQCLSA-N 0 0 327.453 4.177 50 0 EIAARN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCC2)n1 ZINC000170604165 564109487 /nfs/dbraw/zinc/10/94/87/564109487.db2.gz MLMCDHVSGQMQNQ-UHFFFAOYSA-N 0 0 338.480 4.020 50 0 EIAARN CC(C)(COCC(F)F)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000170604972 564109521 /nfs/dbraw/zinc/10/95/21/564109521.db2.gz UWVMWLWYORIJBP-UHFFFAOYSA-N 0 0 346.443 4.049 50 0 EIAARN CCc1noc(CC)c1CN[C@@H](C)c1ccc(Br)o1 ZINC000192945391 564109549 /nfs/dbraw/zinc/10/95/49/564109549.db2.gz NJCDBFMIJGRZCQ-VIFPVBQESA-N 0 0 327.222 4.006 50 0 EIAARN O=C(CC1CCC2(CC1)OCCO2)N1CCCCC[C@H]1c1ccco1 ZINC000170607150 564109588 /nfs/dbraw/zinc/10/95/88/564109588.db2.gz LTZGCPHUDDIGAG-KRWDZBQOSA-N 0 0 347.455 4.047 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc3ccccc3o2)c1C ZINC000007548946 564110279 /nfs/dbraw/zinc/11/02/79/564110279.db2.gz BRPJKTSCVSGBCN-LBPRGKRZSA-N 0 0 342.420 4.339 50 0 EIAARN CCC[C@H]1CCCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1 ZINC000071186379 564110741 /nfs/dbraw/zinc/11/07/41/564110741.db2.gz GPMURHXOTGLGHD-INIZCTEOSA-N 0 0 345.487 4.131 50 0 EIAARN COc1cc(OC)cc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 ZINC000071282997 564110964 /nfs/dbraw/zinc/11/09/64/564110964.db2.gz YFMHEVZCVBVLEB-INIZCTEOSA-N 0 0 341.411 4.139 50 0 EIAARN C[C@H]1CCCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 ZINC000042485053 564111002 /nfs/dbraw/zinc/11/10/02/564111002.db2.gz QXHBJDWLAWFQCG-KRWDZBQOSA-N 0 0 347.462 4.217 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1C ZINC000071855119 564111367 /nfs/dbraw/zinc/11/13/67/564111367.db2.gz WRQVOFRWWKBDDN-UHFFFAOYSA-N 0 0 335.407 4.323 50 0 EIAARN Cc1ccc2cccc(OC(=O)COc3ccc(Cl)cc3)c2n1 ZINC000013279049 564111390 /nfs/dbraw/zinc/11/13/90/564111390.db2.gz XEOZSYIQZHICKI-UHFFFAOYSA-N 0 0 327.767 4.181 50 0 EIAARN Cc1cc(C(=O)Nc2sccc2C(N)=O)sc1-c1ccccc1 ZINC000013326940 564111554 /nfs/dbraw/zinc/11/15/54/564111554.db2.gz WHRDKEDYLJXPIF-UHFFFAOYSA-N 0 0 342.445 4.136 50 0 EIAARN COC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004037903 564111666 /nfs/dbraw/zinc/11/16/66/564111666.db2.gz CEZKLEHYJURHTB-QSMCSLCTSA-N 0 0 349.515 4.115 50 0 biogenic EIAARN Cc1nc(/C=C/C(=O)NCCC23CC4CC(CC(C4)C2)C3)cs1 ZINC000014054519 564112136 /nfs/dbraw/zinc/11/21/36/564112136.db2.gz RTROBHZYNDNAIA-NSCUHMNNSA-N 0 0 330.497 4.187 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000250853823 564112143 /nfs/dbraw/zinc/11/21/43/564112143.db2.gz FIAXFZJVOJRGJM-DFBGVHRSSA-N 0 0 328.239 4.211 50 0 EIAARN O=C(Nc1nccs1)c1cc(Cl)cc(Cl)c1OC(F)F ZINC000014461691 564112469 /nfs/dbraw/zinc/11/24/69/564112469.db2.gz PULAURBLOGGIPX-UHFFFAOYSA-N 0 0 339.150 4.304 50 0 EIAARN CC(=O)c1ccc(OC(=O)C2(c3cccc(F)c3)CCCC2)cc1 ZINC000014464142 564112474 /nfs/dbraw/zinc/11/24/74/564112474.db2.gz QXAHUAGLULLUQH-UHFFFAOYSA-N 0 0 326.367 4.446 50 0 EIAARN Cc1nnc(-c2cccc(C(=O)N(C3CCCC3)C3CCCC3)c2)o1 ZINC000089736402 564113518 /nfs/dbraw/zinc/11/35/18/564113518.db2.gz FWIASOIVIFROIR-UHFFFAOYSA-N 0 0 339.439 4.372 50 0 EIAARN CCc1ccc(-c2cc3c(=O)n(Cc4ccccc4C)ccn3n2)cc1 ZINC000016840105 564113730 /nfs/dbraw/zinc/11/37/30/564113730.db2.gz ZULSFPBJKRIZDH-UHFFFAOYSA-N 0 0 343.430 4.082 50 0 EIAARN O=C(C[C@H]1C=CCC1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000089787770 564113786 /nfs/dbraw/zinc/11/37/86/564113786.db2.gz YFZGLMAHALYLIE-INIZCTEOSA-N 0 0 333.431 4.261 50 0 EIAARN COc1ccc([C@H](NC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000075956337 564113912 /nfs/dbraw/zinc/11/39/12/564113912.db2.gz DOMVSHCGRSCDOX-LJQANCHMSA-N 0 0 339.439 4.034 50 0 EIAARN C[C@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)c2ccccc2S1 ZINC000089824725 564114106 /nfs/dbraw/zinc/11/41/06/564114106.db2.gz IZTKFIDZDBWFKU-AAEUAGOBSA-N 0 0 346.477 4.136 50 0 EIAARN c1ccc(COc2cccc(Nc3cnc4ccccc4n3)c2)nc1 ZINC000089878663 564114660 /nfs/dbraw/zinc/11/46/60/564114660.db2.gz KZGJZPRQJSYWGG-UHFFFAOYSA-N 0 0 328.375 4.347 50 0 EIAARN Cc1cc(-c2nnc(CN(Cc3ccco3)C3CCCC3)o2)c(C)o1 ZINC000089886197 564114697 /nfs/dbraw/zinc/11/46/97/564114697.db2.gz BRDRAZBWHSTBBP-UHFFFAOYSA-N 0 0 341.411 4.484 50 0 EIAARN CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)C[C@@H]2CCCO2)n1 ZINC000076042891 564114743 /nfs/dbraw/zinc/11/47/43/564114743.db2.gz IAVLVKRTNLCBBE-KBPBESRZSA-N 0 0 336.501 4.063 50 0 EIAARN COC(=O)c1cccc(-c2nc(CSc3ccccn3)cs2)c1 ZINC000076040295 564114803 /nfs/dbraw/zinc/11/48/03/564114803.db2.gz WQZTUUQKVYSMSQ-UHFFFAOYSA-N 0 0 342.445 4.284 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(COc3ccc(F)cc3)n2)cc1 ZINC000016941296 564114938 /nfs/dbraw/zinc/11/49/38/564114938.db2.gz AAWBVUGPRZYCPM-UHFFFAOYSA-N 0 0 342.395 4.487 50 0 EIAARN C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccc2c(c1)CCO2 ZINC000089905093 564115059 /nfs/dbraw/zinc/11/50/59/564115059.db2.gz AXZNNIBOCDKMRL-BBRMVZONSA-N 0 0 342.464 4.291 50 0 EIAARN C[C@@H](NC(=O)CCC(=O)Nc1cccc(Cl)c1F)c1ccccc1 ZINC000089905561 564115101 /nfs/dbraw/zinc/11/51/01/564115101.db2.gz IBJOFXPJUBHPCE-GFCCVEGCSA-N 0 0 348.805 4.075 50 0 EIAARN Cc1cccc(CSCC(=O)N2CCCC[C@@H]2c2cccn2C)c1 ZINC000076093558 564115695 /nfs/dbraw/zinc/11/56/95/564115695.db2.gz CPDJALLKTWOZED-LJQANCHMSA-N 0 0 342.508 4.321 50 0 EIAARN CCc1ccc([C@@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)cc1 ZINC000252011142 564116298 /nfs/dbraw/zinc/11/62/98/564116298.db2.gz SDDUJUBMPTYJCA-HUUCEWRRSA-N 0 0 342.508 4.107 50 0 EIAARN COc1ccc(-c2nc(-c3cc(Cl)ccc3OC)no2)cc1OC ZINC000017072187 564116365 /nfs/dbraw/zinc/11/63/65/564116365.db2.gz AVBPZAFGNNZORC-UHFFFAOYSA-N 0 0 346.770 4.083 50 0 EIAARN C[C@@H](SCC(=O)NC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000076394826 564116558 /nfs/dbraw/zinc/11/65/58/564116558.db2.gz QMRPDFPKEONKKF-SNVBAGLBSA-N 0 0 348.295 4.083 50 0 EIAARN COc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC ZINC000000079883 564116630 /nfs/dbraw/zinc/11/66/30/564116630.db2.gz NLIUUSGAAIVMFJ-INIZCTEOSA-N 0 0 333.387 4.331 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Oc2cc(C)c(Cl)c(C)c2)n1 ZINC000006697369 564117383 /nfs/dbraw/zinc/11/73/83/564117383.db2.gz CYAJEWQULUNUQL-UHFFFAOYSA-N 0 0 343.235 4.341 50 0 EIAARN Cc1[nH]nc(C(C)C)c1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000135815773 564117663 /nfs/dbraw/zinc/11/76/63/564117663.db2.gz XTZANLVDUITUDE-UHFFFAOYSA-N 0 0 341.333 4.035 50 0 EIAARN CN(C(=O)Nc1nc(-c2ccccc2)ns1)C1CCCCCC1 ZINC000065775642 564117990 /nfs/dbraw/zinc/11/79/90/564117990.db2.gz YEDXCBUCXGJNGH-UHFFFAOYSA-N 0 0 330.457 4.392 50 0 EIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000252457362 564118608 /nfs/dbraw/zinc/11/86/08/564118608.db2.gz BVZJNRTVFVITJB-ZLKJLUDKSA-N 0 0 349.780 4.345 50 0 EIAARN CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000252537321 564120567 /nfs/dbraw/zinc/12/05/67/564120567.db2.gz KYIOBDQAFYWDKU-HNNXBMFYSA-N 0 0 342.487 4.362 50 0 EIAARN CC(C)Cn1ncc(C(=O)N2CC[C@H]2c2ccccc2F)c1C1CC1 ZINC000252537659 564120586 /nfs/dbraw/zinc/12/05/86/564120586.db2.gz LYYCXNJEHDPUOV-SFHVURJKSA-N 0 0 341.430 4.143 50 0 EIAARN CC(C)C(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000002198917 564120811 /nfs/dbraw/zinc/12/08/11/564120811.db2.gz IKRSMULBDRZPES-UHFFFAOYSA-N 0 0 330.240 4.030 50 0 EIAARN Cc1ccc(NCC2=Cc3ccccc3OC2)cc1O[C@@H]1CCOC1 ZINC000170653026 564120915 /nfs/dbraw/zinc/12/09/15/564120915.db2.gz DVWFJKZIOZWTCI-LJQANCHMSA-N 0 0 337.419 4.051 50 0 EIAARN CCc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 ZINC000007612376 564120976 /nfs/dbraw/zinc/12/09/76/564120976.db2.gz WGNBCQZRFUOFGO-UHFFFAOYSA-N 0 0 340.810 4.468 50 0 EIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Oc1ccccc1 ZINC000007657470 564121618 /nfs/dbraw/zinc/12/16/18/564121618.db2.gz CCOYOGFIMRBPCM-UHFFFAOYSA-N 0 0 326.783 4.112 50 0 EIAARN O=C(COc1ccccc1-c1ccccc1)Oc1ccc2c(c1)OCO2 ZINC000007658800 564121643 /nfs/dbraw/zinc/12/16/43/564121643.db2.gz VOGRAJHFKAFCKD-UHFFFAOYSA-N 0 0 348.354 4.067 50 0 EIAARN Cn1cccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C(C)(C)C)C3 ZINC000007660689 564121644 /nfs/dbraw/zinc/12/16/44/564121644.db2.gz ZSTBQKWZKLTCTE-ZBEGNZNMSA-N 0 0 343.496 4.092 50 0 EIAARN CCOc1ccc(CN(C)CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000007686995 564121912 /nfs/dbraw/zinc/12/19/12/564121912.db2.gz LNGPQYFIHNMNSW-UHFFFAOYSA-N 0 0 340.467 4.279 50 0 EIAARN Cc1cccc2sc(NC(=O)COc3cccc(Cl)c3)nc21 ZINC000007725174 564122300 /nfs/dbraw/zinc/12/23/00/564122300.db2.gz AZBNXEISGFXAMM-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN Cc1sc(-n2cccc2)c(C(=O)Nc2nc3ccccc3[nH]2)c1C ZINC000007734913 564122408 /nfs/dbraw/zinc/12/24/08/564122408.db2.gz IQVICIMDLVLLPG-UHFFFAOYSA-N 0 0 336.420 4.284 50 0 EIAARN Cc1ccc([C@@H](NC(=O)COc2ccccc2)c2cccs2)cc1 ZINC000007739630 564122536 /nfs/dbraw/zinc/12/25/36/564122536.db2.gz BGIOXAKXQCFTDC-HXUWFJFHSA-N 0 0 337.444 4.341 50 0 EIAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2 ZINC000007754597 564122677 /nfs/dbraw/zinc/12/26/77/564122677.db2.gz OZWLBEMUGUCVLW-UHFFFAOYSA-N 0 0 347.370 4.170 50 0 EIAARN Cc1cc(Br)cc(N[C@@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195122455 564122816 /nfs/dbraw/zinc/12/28/16/564122816.db2.gz WDVJDCSZFCJHOW-OAHLLOKOSA-N 0 0 343.228 4.077 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCSc2ccccc21 ZINC000007777938 564123063 /nfs/dbraw/zinc/12/30/63/564123063.db2.gz LXWDNLBDRWBZCY-SFHVURJKSA-N 0 0 336.460 4.454 50 0 EIAARN CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccccc1 ZINC000007785847 564123287 /nfs/dbraw/zinc/12/32/87/564123287.db2.gz RMJNYPCXOQRAOZ-UHFFFAOYSA-N 0 0 344.458 4.348 50 0 EIAARN COc1ccc(C)cc1CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000195559006 564123818 /nfs/dbraw/zinc/12/38/18/564123818.db2.gz LSLXQXJJQMHESI-QFIPXVFZSA-N 0 0 337.872 4.148 50 0 EIAARN C[S@](=O)Cc1cc(NCc2cnc(C3CC3)s2)ccc1Cl ZINC000195559156 564123862 /nfs/dbraw/zinc/12/38/62/564123862.db2.gz CZRJEEZXOURQDB-NRFANRHFSA-N 0 0 340.901 4.165 50 0 EIAARN Cc1cc(COC(=O)c2sc3cc(F)ccc3c2Cl)no1 ZINC000007817378 564124025 /nfs/dbraw/zinc/12/40/25/564124025.db2.gz MMYMJZYECYQPKA-UHFFFAOYSA-N 0 0 325.748 4.347 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccc(OC(F)F)cc2)N1C1CC1 ZINC000007886037 564124429 /nfs/dbraw/zinc/12/44/29/564124429.db2.gz RXCNKZKENANXIV-INIZCTEOSA-N 0 0 330.334 4.017 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)c1ccc2c(c1)CCC2 ZINC000007888973 564124437 /nfs/dbraw/zinc/12/44/37/564124437.db2.gz QIGDETHGRALAJE-UHFFFAOYSA-N 0 0 330.225 4.499 50 0 EIAARN Cc1cccc(OCC(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000007889942 564124455 /nfs/dbraw/zinc/12/44/55/564124455.db2.gz OJCWNHHUUIHZHH-FQEVSTJZSA-N 0 0 337.444 4.341 50 0 EIAARN Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)c2)cs1 ZINC000252670814 564124818 /nfs/dbraw/zinc/12/48/18/564124818.db2.gz LSXSSVCSNNMGSR-VNHYZAJKSA-N 0 0 329.469 4.145 50 0 EIAARN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000252679352 564124905 /nfs/dbraw/zinc/12/49/05/564124905.db2.gz LEUWUVYHBZQDSK-KCITZHQASA-N 0 0 343.467 4.132 50 0 EIAARN Cc1ccccc1NC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000007918106 564125162 /nfs/dbraw/zinc/12/51/62/564125162.db2.gz RUWFPGMGYDILPE-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN Cc1nc(COc2ccccc2C(=O)Oc2ccccc2)cs1 ZINC000007919247 564125240 /nfs/dbraw/zinc/12/52/40/564125240.db2.gz XQVGDTBFZSJJKK-UHFFFAOYSA-N 0 0 325.389 4.250 50 0 EIAARN COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(C)ccc2O3)cc1 ZINC000002699099 564125247 /nfs/dbraw/zinc/12/52/47/564125247.db2.gz JISKWKXLARALEN-UHFFFAOYSA-N 0 0 336.416 4.446 50 0 EIAARN Cc1ccc(Cl)c(NC(=O)CN(C)Cc2ccsc2)c1Cl ZINC000007926836 564125578 /nfs/dbraw/zinc/12/55/78/564125578.db2.gz KCPVJXUPOGMHTO-UHFFFAOYSA-N 0 0 343.279 4.434 50 0 EIAARN Cc1cccc(C2=N/C(=C\c3cccc(C(F)(F)F)c3)C(=O)O2)c1 ZINC000027519184 564125628 /nfs/dbraw/zinc/12/56/28/564125628.db2.gz YAUDWZOHGBBSFE-GDNBJRDFSA-N 0 0 331.293 4.358 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)CN1CC1 ZINC000004026844 564128943 /nfs/dbraw/zinc/12/89/43/564128943.db2.gz YAZNTOPQJPATQT-YSNDBMGOSA-N 0 0 331.544 4.466 50 0 biogenic EIAARN CCN(c1cccc(C)c1)c1ncnc2c1ncn2-c1ccccc1 ZINC000019926046 564129100 /nfs/dbraw/zinc/12/91/00/564129100.db2.gz XCYAJBKZTDCXEX-UHFFFAOYSA-N 0 0 329.407 4.282 50 0 EIAARN COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(OC)cc2)cc1 ZINC000000366960 564130150 /nfs/dbraw/zinc/13/01/50/564130150.db2.gz SLIYJTVHXLYNJL-UHFFFAOYSA-N 0 0 347.374 4.156 50 0 EIAARN COC1CCN(c2ccc(C(=O)Nc3cccc(C)c3C)cc2)CC1 ZINC000253408684 564130689 /nfs/dbraw/zinc/13/06/89/564130689.db2.gz YMAGSJGRPCIAKE-UHFFFAOYSA-N 0 0 338.451 4.171 50 0 EIAARN Clc1cccc([C@@H](NCc2nnc3n2CCCC3)C2CCCC2)c1 ZINC000253418052 564130851 /nfs/dbraw/zinc/13/08/51/564130851.db2.gz HYTJCHNDOCSCBL-IBGZPJMESA-N 0 0 344.890 4.289 50 0 EIAARN O=C(c1ccc2c(c1)N=S=N2)N(CC(F)(F)F)c1ccccn1 ZINC000253425941 564131110 /nfs/dbraw/zinc/13/11/10/564131110.db2.gz VDYBPWCRLIXCRC-UHFFFAOYSA-N 0 0 338.314 4.017 50 0 EIAARN CC(C)c1cc(CN(C)C(=O)NCc2ccc3c(c2)CCCC3)no1 ZINC000584884694 564131421 /nfs/dbraw/zinc/13/14/21/564131421.db2.gz ITIKJLJBWFSLQM-UHFFFAOYSA-N 0 0 341.455 4.018 50 0 EIAARN CCC[C@@H](NC(=O)N1CC(Oc2ccc(F)cc2)C1)c1cccs1 ZINC000584892656 564131559 /nfs/dbraw/zinc/13/15/59/564131559.db2.gz AGNZAHIZVGFKEC-MRXNPFEDSA-N 0 0 348.443 4.201 50 0 EIAARN COc1cc(-c2cccc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000253470630 564132604 /nfs/dbraw/zinc/13/26/04/564132604.db2.gz SCILSUYEDPMNIL-UHFFFAOYSA-N 0 0 338.359 4.261 50 0 EIAARN CC[C@@H](C(=O)NC[C@H](OC)c1cc2ccccc2o1)c1ccccc1 ZINC000253471952 564132645 /nfs/dbraw/zinc/13/26/45/564132645.db2.gz GSMVVIURQNOOSA-XLIONFOSSA-N 0 0 337.419 4.430 50 0 EIAARN CS(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)co2)cc1 ZINC000225444931 564134821 /nfs/dbraw/zinc/13/48/21/564134821.db2.gz WWWMLFVEVISANN-UHFFFAOYSA-N 0 0 345.445 4.037 50 0 EIAARN CN(Cc1cc(Cl)ccc1F)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000225462765 564134991 /nfs/dbraw/zinc/13/49/91/564134991.db2.gz FBMHIFVLVYEODB-INIZCTEOSA-N 0 0 345.801 4.198 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000007941019 564135310 /nfs/dbraw/zinc/13/53/10/564135310.db2.gz RTJXPXCMOIWHRQ-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000007945830 564135496 /nfs/dbraw/zinc/13/54/96/564135496.db2.gz QFFTWDIYGMROOG-SFHVURJKSA-N 0 0 340.810 4.243 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(C)cc1 ZINC000012860348 564135662 /nfs/dbraw/zinc/13/56/62/564135662.db2.gz YYGBIAMHYAXHRW-UHFFFAOYSA-N 0 0 334.423 4.119 50 0 EIAARN COc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2Cl)cc1 ZINC000013365114 564136274 /nfs/dbraw/zinc/13/62/74/564136274.db2.gz LZGZYHBAWWAIOA-UHFFFAOYSA-N 0 0 341.798 4.161 50 0 EIAARN CCCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369059 564136335 /nfs/dbraw/zinc/13/63/35/564136335.db2.gz SCWPTYCNXZZKNR-UHFFFAOYSA-N 0 0 341.842 4.273 50 0 EIAARN O=C(CNc1cccc(Br)c1)Nc1ccc(Cl)cc1 ZINC000007953239 564136394 /nfs/dbraw/zinc/13/63/94/564136394.db2.gz DYJUVUOCXYXBST-UHFFFAOYSA-N 0 0 339.620 4.153 50 0 EIAARN Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)c(C)o1 ZINC000027921857 564136429 /nfs/dbraw/zinc/13/64/29/564136429.db2.gz LRUPEGKHCSRQKB-UHFFFAOYSA-N 0 0 341.386 4.149 50 0 EIAARN CCc1ccccc1-c1noc(Cc2csc([C@@H](C)OC)n2)n1 ZINC000328593817 564136802 /nfs/dbraw/zinc/13/68/02/564136802.db2.gz NHYFCSKOHFUNJZ-LLVKDONJSA-N 0 0 329.425 4.054 50 0 EIAARN C[C@H](C(=O)N(CC(F)(F)F)c1ccccn1)c1c(F)cccc1F ZINC000154652192 564137179 /nfs/dbraw/zinc/13/71/79/564137179.db2.gz REBLVEOBRWKINN-JTQLQIEISA-N 0 0 344.283 4.059 50 0 EIAARN COC[C@](C)(NC(=O)Nc1ccc(OC(C)C)cc1)c1ccccc1 ZINC000079025519 564137643 /nfs/dbraw/zinc/13/76/43/564137643.db2.gz FQYHXWBXLLTGIL-FQEVSTJZSA-N 0 0 342.439 4.157 50 0 EIAARN Cc1nnc([C@H](C)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)o1 ZINC000079029730 564137661 /nfs/dbraw/zinc/13/76/61/564137661.db2.gz BWXFNNGHKDBJRT-VIFPVBQESA-N 0 0 346.774 4.050 50 0 EIAARN CCCc1c(NC(=O)[C@H](C)c2cccnc2)cnn1-c1ccccc1C ZINC000277057563 564137822 /nfs/dbraw/zinc/13/78/22/564137822.db2.gz JBLIBBKRSMMNPI-MRXNPFEDSA-N 0 0 348.450 4.270 50 0 EIAARN O=C(CCc1ccsc1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277147170 564137961 /nfs/dbraw/zinc/13/79/61/564137961.db2.gz PQNQNGGRADRGNL-UHFFFAOYSA-N 0 0 347.455 4.028 50 0 EIAARN O=C(NCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1C1CCCC1 ZINC000079623382 564138306 /nfs/dbraw/zinc/13/83/06/564138306.db2.gz ZGHQLHFKCFKUCW-KRWDZBQOSA-N 0 0 339.439 4.206 50 0 EIAARN O=C(COc1ccccc1F)N[C@H](c1ccsc1)c1cccs1 ZINC000390827105 564138488 /nfs/dbraw/zinc/13/84/88/564138488.db2.gz UCQHBJHTQLRPDI-QGZVFWFLSA-N 0 0 347.436 4.233 50 0 EIAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)COCc1ccccc1 ZINC000390829143 564138580 /nfs/dbraw/zinc/13/85/80/564138580.db2.gz CZDRQEVAGJNJOD-KRWDZBQOSA-N 0 0 335.513 4.116 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)nc1)c1cccc2ccccc21 ZINC000390829551 564138592 /nfs/dbraw/zinc/13/85/92/564138592.db2.gz FEOWZBIBVYGWRZ-UHFFFAOYSA-N 0 0 328.371 4.425 50 0 EIAARN Cc1nnc(CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)s1 ZINC000390834187 564138894 /nfs/dbraw/zinc/13/88/94/564138894.db2.gz UGTPJZJPJJPWCM-UHFFFAOYSA-N 0 0 341.402 4.424 50 0 EIAARN O=C(Nc1ccc(-c2nnco2)cc1)c1cnc(-c2ccccc2)s1 ZINC000390835776 564139024 /nfs/dbraw/zinc/13/90/24/564139024.db2.gz YFNYXFZXRGGRNR-UHFFFAOYSA-N 0 0 348.387 4.112 50 0 EIAARN CCc1nc([C@H](C)Nc2ccc3c(c2)C(=O)NC3)oc1-c1ccccc1 ZINC000124880776 564139098 /nfs/dbraw/zinc/13/90/98/564139098.db2.gz MFGZZTVPODVPIY-ZDUSSCGKSA-N 0 0 347.418 4.321 50 0 EIAARN C[C@@H](O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000095431340 564140344 /nfs/dbraw/zinc/14/03/44/564140344.db2.gz GZPZLIGQTUSICN-CVEARBPZSA-N 0 0 340.423 4.104 50 0 EIAARN CC[C@H](C)n1nc(NC(=O)C2(c3ccc(C)c(OC)c3)CC2)cc1C ZINC000095463241 564140890 /nfs/dbraw/zinc/14/08/90/564140890.db2.gz INISISCWDKMSNN-AWEZNQCLSA-N 0 0 341.455 4.150 50 0 EIAARN CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)c(F)c1 ZINC000095464320 564140931 /nfs/dbraw/zinc/14/09/31/564140931.db2.gz OUVZYSAVAWUNSS-UHFFFAOYSA-N 0 0 346.427 4.396 50 0 EIAARN COCc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](C)c2ccsc2)o1 ZINC000095944859 564142189 /nfs/dbraw/zinc/14/21/89/564142189.db2.gz IDQAUDYJPYIWOY-CJNGLKHVSA-N 0 0 348.468 4.138 50 0 EIAARN CC(C)CNC(=O)c1ccc(NCc2nccn2C(C)C)cc1Cl ZINC000095965275 564142948 /nfs/dbraw/zinc/14/29/48/564142948.db2.gz ZDXFXPFJJAKXFR-UHFFFAOYSA-N 0 0 348.878 4.115 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)[C@H]3OCCc4ccccc43)cc2)oc1C ZINC000095972773 564143459 /nfs/dbraw/zinc/14/34/59/564143459.db2.gz IJJUQJRYVHPFBN-IBGZPJMESA-N 0 0 348.402 4.211 50 0 EIAARN Cc1c(C(=O)NCC2([C@H](C)CCO)CCC2)sc2cccc(F)c12 ZINC000095987100 564144002 /nfs/dbraw/zinc/14/40/02/564144002.db2.gz NESWJBKMYVMBHA-GFCCVEGCSA-N 0 0 349.471 4.267 50 0 EIAARN Cc1c(C(=O)NCC2([C@@H](C)CCO)CCC2)sc2cccc(F)c12 ZINC000095987099 564144018 /nfs/dbraw/zinc/14/40/18/564144018.db2.gz NESWJBKMYVMBHA-LBPRGKRZSA-N 0 0 349.471 4.267 50 0 EIAARN O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCC=C(F)C1 ZINC000095992814 564144217 /nfs/dbraw/zinc/14/42/17/564144217.db2.gz YYPBBUMTJGQDOM-UHFFFAOYSA-N 0 0 334.394 4.389 50 0 EIAARN C[C@H](Nc1ccc2cccc(Br)c2n1)[C@H]1CCCOC1 ZINC000096002029 564144417 /nfs/dbraw/zinc/14/44/17/564144417.db2.gz HRIKNUJVHJDLLY-AAEUAGOBSA-N 0 0 335.245 4.224 50 0 EIAARN Cc1cc(CN(C)C(=O)Nc2sc(-c3ccccc3)nc2C)no1 ZINC000096010721 564144717 /nfs/dbraw/zinc/14/47/17/564144717.db2.gz FAVLNTDLZLIAJB-UHFFFAOYSA-N 0 0 342.424 4.079 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1ccncc1N1CCCCC1 ZINC000096012126 564144734 /nfs/dbraw/zinc/14/47/34/564144734.db2.gz UVXFLILIUOYRSV-UHFFFAOYSA-N 0 0 347.821 4.046 50 0 EIAARN COCCCCOC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000096013410 564144773 /nfs/dbraw/zinc/14/47/73/564144773.db2.gz YLACRWJWDOLPRT-UHFFFAOYSA-N 0 0 341.201 4.087 50 0 EIAARN C[C@H](NC(=O)/C=C\c1ccsc1)c1nc(-c2cccnc2)cs1 ZINC000096035679 564145106 /nfs/dbraw/zinc/14/51/06/564145106.db2.gz QNJIKFSIIVXQKR-RXNFCKPNSA-N 0 0 341.461 4.157 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)Nc2cnn(C3CCOCC3)c2)cc1 ZINC000096104615 564145305 /nfs/dbraw/zinc/14/53/05/564145305.db2.gz GAFTZLJCROTOIC-UHFFFAOYSA-N 0 0 342.443 4.176 50 0 EIAARN Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CO)c2cc1C ZINC000096114392 564145439 /nfs/dbraw/zinc/14/54/39/564145439.db2.gz SMAJYURNFIWGLY-UHFFFAOYSA-N 0 0 335.359 4.019 50 0 biogenic EIAARN Cc1noc(C)c1CC(=O)Nc1cccc2c1ccn2CCC(C)C ZINC000096118258 564145505 /nfs/dbraw/zinc/14/55/05/564145505.db2.gz JIUBTNFBSDFPNU-UHFFFAOYSA-N 0 0 339.439 4.473 50 0 EIAARN CCOC(=O)/C=C\c1ccc(NC(=O)N[C@H](C)c2cccs2)cc1 ZINC000096130047 564145733 /nfs/dbraw/zinc/14/57/33/564145733.db2.gz LKQJHYYZPVEYSS-BIRHUZIMSA-N 0 0 344.436 4.207 50 0 EIAARN O=[S@@](C/C=C\c1ccccc1)Cc1coc(-c2cccs2)n1 ZINC000096248647 564146133 /nfs/dbraw/zinc/14/61/33/564146133.db2.gz ZQNYXRHXXHNGHT-HUPBUCHYSA-N 0 0 329.446 4.365 50 0 EIAARN CN(C(=O)/C=C\c1ccco1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000096257322 564146183 /nfs/dbraw/zinc/14/61/83/564146183.db2.gz YEKBHOFEQVOVRG-PISNEZEASA-N 0 0 336.366 4.075 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)C1CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276194 564146234 /nfs/dbraw/zinc/14/62/34/564146234.db2.gz ABNATTHUQDBFNX-YGRLFVJLSA-N 0 0 333.819 4.003 50 0 EIAARN CCc1cccc2c([C@H](CC(=O)NCCOC)CC(C)C)c[nH]c21 ZINC000096276387 564146272 /nfs/dbraw/zinc/14/62/72/564146272.db2.gz FGUSGJIRYJSXDU-INIZCTEOSA-N 0 0 330.472 4.013 50 0 EIAARN CC(=O)Nc1ccc(/C=C\C(=O)N(C)[C@H](C)c2ccc(C)s2)cc1 ZINC000096309268 564146668 /nfs/dbraw/zinc/14/66/68/564146668.db2.gz XVUNGRJQRXNHSY-ICDLMJIXSA-N 0 0 342.464 4.248 50 0 EIAARN CC(C)c1noc(-c2ccccc2NC(=O)c2ccccc2F)n1 ZINC000096346416 564146877 /nfs/dbraw/zinc/14/68/77/564146877.db2.gz ZQXTVGWIVKMIFN-UHFFFAOYSA-N 0 0 325.343 4.251 50 0 EIAARN Cc1cccc(CC(=O)NCc2cccc(Oc3ccccn3)c2)c1 ZINC000096382401 564146923 /nfs/dbraw/zinc/14/69/23/564146923.db2.gz FVOSEUCKQXVVDH-UHFFFAOYSA-N 0 0 332.403 4.041 50 0 EIAARN CO[C@@H](CNC(=O)c1cc2ccccc2s1)c1cccc(F)c1 ZINC000096388333 564146972 /nfs/dbraw/zinc/14/69/72/564146972.db2.gz MOOXHOPUFYLVPA-HNNXBMFYSA-N 0 0 329.396 4.158 50 0 EIAARN CO[C@](C)(CNC(=O)c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000096392416 564147024 /nfs/dbraw/zinc/14/70/24/564147024.db2.gz IRTCXUIZFNDKEW-LJQANCHMSA-N 0 0 343.810 4.378 50 0 EIAARN CO[C@@](C)(CNC(=O)/C=C/c1ccsc1)c1cccc(Cl)c1 ZINC000096392701 564147053 /nfs/dbraw/zinc/14/70/53/564147053.db2.gz CCMIFVKDQVQWKG-LXXRFIIISA-N 0 0 335.856 4.093 50 0 EIAARN CN(C(=O)/C=C\c1c(Cl)nc2sccn12)C1CCCCCC1 ZINC000096401394 564147073 /nfs/dbraw/zinc/14/70/73/564147073.db2.gz BAFQZNURTJHYGR-HJWRWDBZSA-N 0 0 337.876 4.244 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1F ZINC000096402278 564147144 /nfs/dbraw/zinc/14/71/44/564147144.db2.gz ZDPFMJGASHZKJV-DBXWQHBBSA-N 0 0 346.405 4.230 50 0 EIAARN O=[S@@](CCc1ccccc1)Cc1csc(Cc2ccccc2)n1 ZINC000096404351 564147234 /nfs/dbraw/zinc/14/72/34/564147234.db2.gz QVCWDYLVUHCCEZ-HSZRJFAPSA-N 0 0 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CCCCO[C@H](C)C(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000058004671 564157124 /nfs/dbraw/zinc/15/71/24/564157124.db2.gz FURQMWHTDDIDKW-GFCCVEGCSA-N 0 0 343.452 4.435 50 0 EIAARN COc1ccc(OC)c(CN(C(=O)c2cccc(C)c2C)C2CC2)c1 ZINC000058010509 564157152 /nfs/dbraw/zinc/15/71/52/564157152.db2.gz OZEBUIRZURKSIN-UHFFFAOYSA-N 0 0 339.435 4.125 50 0 EIAARN O=C(COC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000003297188 564157154 /nfs/dbraw/zinc/15/71/54/564157154.db2.gz MUHIGDUFXSQILE-UHFFFAOYSA-N 0 0 348.729 4.460 50 0 EIAARN CC(C)CN(C)c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000058011011 564157162 /nfs/dbraw/zinc/15/71/62/564157162.db2.gz LJEGQGCUMBTODI-LJQANCHMSA-N 0 0 338.451 4.032 50 0 EIAARN CCOC(=O)CSCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000003351469 564157595 /nfs/dbraw/zinc/15/75/95/564157595.db2.gz MYYLMFDQFRFRNO-UHFFFAOYSA-N 0 0 337.485 4.168 50 0 EIAARN COC(=O)c1ccc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000030780013 564157733 /nfs/dbraw/zinc/15/77/33/564157733.db2.gz PVHLIYKYYDQWBO-DBVUQKKJSA-N 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/nfs/dbraw/zinc/15/89/12/564158912.db2.gz HAPPCLBVNWAWQH-SFHVURJKSA-N 0 0 340.854 4.066 50 0 EIAARN C[C@H]1C[C@H]1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000031182707 564159091 /nfs/dbraw/zinc/15/90/91/564159091.db2.gz KHNHTFMVZRQCPT-GZMMTYOYSA-N 0 0 326.343 4.423 50 0 EIAARN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1Oc1ccccc1 ZINC000031255667 564159210 /nfs/dbraw/zinc/15/92/10/564159210.db2.gz WPARXBGFEMISBJ-UHFFFAOYSA-N 0 0 346.342 4.166 50 0 EIAARN Cc1c(C(=O)NC2CCCC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000058571647 564159366 /nfs/dbraw/zinc/15/93/66/564159366.db2.gz DJZLEVKHWNDHNX-UHFFFAOYSA-N 0 0 341.436 4.241 50 0 EIAARN CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCC1 ZINC000031903966 564160205 /nfs/dbraw/zinc/16/02/05/564160205.db2.gz HQXSVRWMMRFMJK-UHFFFAOYSA-N 0 0 339.501 4.093 50 0 EIAARN Cc1nc(NC(=O)CC(C)C)sc1-c1nc(-c2ccccc2)no1 ZINC000032072620 564160581 /nfs/dbraw/zinc/16/05/81/564160581.db2.gz IUNQDELVAFXGTK-UHFFFAOYSA-N 0 0 342.424 4.153 50 0 EIAARN CC(C)c1nnc2sc(-c3cc(-c4ccc(Cl)cc4)on3)nn21 ZINC000032094234 564160712 /nfs/dbraw/zinc/16/07/12/564160712.db2.gz PHQUWNDSJJKRJE-UHFFFAOYSA-N 0 0 345.815 4.285 50 0 EIAARN CC(=O)N(Cc1ccco1)[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000032105243 564160821 /nfs/dbraw/zinc/16/08/21/564160821.db2.gz HHJMAKRZTPNGIZ-NRFANRHFSA-N 0 0 349.386 4.146 50 0 EIAARN Cc1nnc(SCc2cccc(F)c2F)n1-c1ccccc1C ZINC000004186482 564161098 /nfs/dbraw/zinc/16/10/98/564161098.db2.gz IUDFCWILUWAHPH-UHFFFAOYSA-N 0 0 331.391 4.455 50 0 EIAARN CCCC[C@@H](CC)N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000059377758 564161150 /nfs/dbraw/zinc/16/11/50/564161150.db2.gz FBZPJUVAFSWZLB-GCJKJVERSA-N 0 0 337.463 4.499 50 0 EIAARN C[N@H+](Cc1cccc(C(=O)[O-])c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000263397785 564161451 /nfs/dbraw/zinc/16/14/51/564161451.db2.gz HDNJNNHQUTUYGW-MOPGFXCFSA-N 0 0 339.435 4.063 50 0 EIAARN Cc1noc2ncc(C(=O)NC(c3ccccc3)c3ccccc3)cc12 ZINC000032451136 564161461 /nfs/dbraw/zinc/16/14/61/564161461.db2.gz UGXQTGXRGRGECM-UHFFFAOYSA-N 0 0 343.386 4.051 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(SCc3cccnc3)cc2)nc1 ZINC000032488970 564161534 /nfs/dbraw/zinc/16/15/34/564161534.db2.gz WYYASYOBTNBRLA-UHFFFAOYSA-N 0 0 335.432 4.330 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc2c(c1)OCCO2 ZINC000007983912 564161791 /nfs/dbraw/zinc/16/17/91/564161791.db2.gz RVVLRXCSYDREHX-UHFFFAOYSA-N 0 0 349.386 4.289 50 0 EIAARN COc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000007985176 564161813 /nfs/dbraw/zinc/16/18/13/564161813.db2.gz YHCDUBICOFIDPD-MRXNPFEDSA-N 0 0 340.467 4.278 50 0 EIAARN CC(=O)NCc1ccc(-c2csc(NCc3ccccc3)n2)cc1 ZINC000007987379 564161882 /nfs/dbraw/zinc/16/18/82/564161882.db2.gz RZWNPLBMLURWOI-UHFFFAOYSA-N 0 0 337.448 4.058 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000007988689 564161929 /nfs/dbraw/zinc/16/19/29/564161929.db2.gz IUWLFRNPEFPYRV-UHFFFAOYSA-N 0 0 347.827 4.250 50 0 EIAARN O=C(Nc1nc2ccc(F)cc2s1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000007989330 564161970 /nfs/dbraw/zinc/16/19/70/564161970.db2.gz HDTJIAVVRNFQAF-NEPJUHHUSA-N 0 0 333.432 4.479 50 0 EIAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1cc2c(c(Cl)c1)OCO2 ZINC000008054490 564162433 /nfs/dbraw/zinc/16/24/33/564162433.db2.gz XKDCOVVTZPBMQI-JYOAFUTRSA-N 0 0 334.158 4.215 50 0 EIAARN CCc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000008076090 564162547 /nfs/dbraw/zinc/16/25/47/564162547.db2.gz RFQBIOMALKDONH-UHFFFAOYSA-N 0 0 339.370 4.009 50 0 EIAARN Oc1cccc2ccc(/C=C/c3cc4c(c(Cl)c3)OCO4)nc12 ZINC000008079035 564162583 /nfs/dbraw/zinc/16/25/83/564162583.db2.gz ZMPPKBUHCRWEHX-GQCTYLIASA-N 0 0 325.751 4.493 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000263525844 564162764 /nfs/dbraw/zinc/16/27/64/564162764.db2.gz UAKUGYRBEPQKEY-OIISXLGYSA-N 0 0 342.464 4.028 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000263525846 564162770 /nfs/dbraw/zinc/16/27/70/564162770.db2.gz UAKUGYRBEPQKEY-UAGQMJEPSA-N 0 0 342.464 4.028 50 0 EIAARN COc1ccc2c(CC(=O)N3CCC[C@@H]3c3cccs3)coc2c1 ZINC000008131667 564162992 /nfs/dbraw/zinc/16/29/92/564162992.db2.gz VFNYEBBVTWFDPM-MRXNPFEDSA-N 0 0 341.432 4.409 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000008140453 564163186 /nfs/dbraw/zinc/16/31/86/564163186.db2.gz KEYPRTYZRQCJRE-BBRMVZONSA-N 0 0 332.444 4.342 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccc[nH]2)cs1 ZINC000008187521 564163407 /nfs/dbraw/zinc/16/34/07/564163407.db2.gz DLNLGVUNRZPCDV-UHFFFAOYSA-N 0 0 349.415 4.309 50 0 EIAARN C[C@H](Sc1ncnc2ccccc21)C(=O)N1c2ccccc2C[C@H]1C ZINC000008189378 564163437 /nfs/dbraw/zinc/16/34/37/564163437.db2.gz LWDQCHJUZSWSSA-KGLIPLIRSA-N 0 0 349.459 4.088 50 0 EIAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000008220286 564163628 /nfs/dbraw/zinc/16/36/28/564163628.db2.gz AOKVYAFLGQYXDI-NSHDSACASA-N 0 0 349.839 4.246 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CCC(=O)c1ccccc1 ZINC000008269672 564163905 /nfs/dbraw/zinc/16/39/05/564163905.db2.gz VMRJGPIVHFGOMW-UHFFFAOYSA-N 0 0 331.799 4.259 50 0 EIAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(F)cc1 ZINC000008275419 564163949 /nfs/dbraw/zinc/16/39/49/564163949.db2.gz WBYYMHNUVXTHEA-UHFFFAOYSA-N 0 0 330.359 4.264 50 0 EIAARN O=C(Nc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008280130 564164011 /nfs/dbraw/zinc/16/40/11/564164011.db2.gz ULZBHAZQDVKMRP-QGZVFWFLSA-N 0 0 338.407 4.217 50 0 EIAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)C1CCC(C(C)(C)C)CC1 ZINC000008314253 564164202 /nfs/dbraw/zinc/16/42/02/564164202.db2.gz GISJGGSDVDUVEL-UHFFFAOYSA-N 0 0 348.462 4.075 50 0 EIAARN COc1cccc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 ZINC000008331640 564164535 /nfs/dbraw/zinc/16/45/35/564164535.db2.gz MZFXTKOHKOBKON-UHFFFAOYSA-N 0 0 341.407 4.493 50 0 EIAARN COc1ccc2cc(CN(C)C(=O)COc3cccc(C)c3)ccc2c1 ZINC000008360853 564164731 /nfs/dbraw/zinc/16/47/31/564164731.db2.gz ABJTVDPXYHZUQK-UHFFFAOYSA-N 0 0 349.430 4.194 50 0 EIAARN C[S@@](=O)c1ccccc1C(=O)OCc1c(Cl)cccc1Cl ZINC000008490445 564165443 /nfs/dbraw/zinc/16/54/43/564165443.db2.gz POURLHWPIAISRS-NRFANRHFSA-N 0 0 343.231 4.088 50 0 EIAARN CC1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 ZINC000067284742 564165528 /nfs/dbraw/zinc/16/55/28/564165528.db2.gz NPJWDILCTJUHHU-UHFFFAOYSA-N 0 0 326.831 4.286 50 0 EIAARN CC(C)(C)OC(=O)N1CCC(c2cc(-c3cccs3)n[nH]2)CC1 ZINC000008566342 564165741 /nfs/dbraw/zinc/16/57/41/564165741.db2.gz USZUTVQFLPZXIC-UHFFFAOYSA-N 0 0 333.457 4.253 50 0 EIAARN Cc1ccc(Cn2c(CO)cnc2SCc2cccc(F)c2)cc1 ZINC000008583851 564165874 /nfs/dbraw/zinc/16/58/74/564165874.db2.gz JKQVLMXUMTVQDA-UHFFFAOYSA-N 0 0 342.439 4.164 50 0 EIAARN CCN(Cc1ccccc1)C(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000008596004 564165935 /nfs/dbraw/zinc/16/59/35/564165935.db2.gz SOVODJPBSQASPT-UHFFFAOYSA-N 0 0 329.403 4.378 50 0 EIAARN CCCSCCCNC(=O)c1ccc2c(c1)nc1n2CCCCC1 ZINC000008611764 564166076 /nfs/dbraw/zinc/16/60/76/564166076.db2.gz UCGJLWCUJIAQFW-UHFFFAOYSA-N 0 0 345.512 4.026 50 0 EIAARN O=c1[nH]nc(Cc2ccc(-c3ccc(Cl)cc3)o2)c2ccccc12 ZINC000008670330 564166241 /nfs/dbraw/zinc/16/62/41/564166241.db2.gz QJDSYRXWISKBJN-UHFFFAOYSA-N 0 0 336.778 4.427 50 0 EIAARN O=C(CNc1ccccc1N1CCCCC1)Nc1c(F)cccc1F ZINC000008706751 564166516 /nfs/dbraw/zinc/16/65/16/564166516.db2.gz BNSKOGXTEGQEIS-UHFFFAOYSA-N 0 0 345.393 4.006 50 0 EIAARN C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccccc1 ZINC000008734470 564167116 /nfs/dbraw/zinc/16/71/16/564167116.db2.gz JZOPDSSQVMNAPV-CYBMUJFWSA-N 0 0 340.423 4.369 50 0 EIAARN CC(C)c1cnc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)s1 ZINC000172677361 564167632 /nfs/dbraw/zinc/16/76/32/564167632.db2.gz CBYURAZLKBORQE-UHFFFAOYSA-N 0 0 348.443 4.093 50 0 EIAARN O=C(NC[C@@H]1Cc2ccccc21)c1ncoc1-c1ccccc1Cl ZINC000173141847 564168839 /nfs/dbraw/zinc/16/88/39/564168839.db2.gz RLGSOBYHRVJRBO-ZDUSSCGKSA-N 0 0 338.794 4.065 50 0 EIAARN CCC[C@@H](NC(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000069415497 564169239 /nfs/dbraw/zinc/16/92/39/564169239.db2.gz SIHWUXGWVOSSJM-OAHLLOKOSA-N 0 0 329.362 4.089 50 0 EIAARN Cc1ccoc1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O ZINC000069417891 564169334 /nfs/dbraw/zinc/16/93/34/564169334.db2.gz BEFAYBKDMGUXLB-UHFFFAOYSA-N 0 0 332.425 4.048 50 0 EIAARN CCN(C(=O)c1ccncc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000069435611 564169483 /nfs/dbraw/zinc/16/94/83/564169483.db2.gz KNHCAUZQBIGKPA-HXUWFJFHSA-N 0 0 349.409 4.176 50 0 EIAARN COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000069452545 564169580 /nfs/dbraw/zinc/16/95/80/564169580.db2.gz DJAUCSVNUQQSTQ-OKZBNKHCSA-N 0 0 327.449 4.224 50 0 EIAARN CO[C@@H](C)c1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 ZINC000069488957 564169871 /nfs/dbraw/zinc/16/98/71/564169871.db2.gz YPCXDVMWYQRNNC-AWEZNQCLSA-N 0 0 348.402 4.002 50 0 EIAARN Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)c1ccc[nH]c1=S ZINC000069491063 564169901 /nfs/dbraw/zinc/16/99/01/564169901.db2.gz PBFHPXXKLABBCP-JTQLQIEISA-N 0 0 330.384 4.429 50 0 EIAARN CC(=O)N1CCC(C(=O)Nc2ccc(SC(C)(C)C)cc2C)CC1 ZINC000069507963 564169948 /nfs/dbraw/zinc/16/99/48/564169948.db2.gz SNPQEDNOKKRBBO-UHFFFAOYSA-N 0 0 348.512 4.083 50 0 EIAARN O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1CCC1 ZINC000069520280 564170139 /nfs/dbraw/zinc/17/01/39/564170139.db2.gz JVOBPCVLNNZIJD-UHFFFAOYSA-N 0 0 345.446 4.015 50 0 EIAARN COc1cc(OC)c(N[C@H](C)c2nc(C(C)C)no2)cc1Cl ZINC000040511795 564170247 /nfs/dbraw/zinc/17/02/47/564170247.db2.gz SQPCGPFBBQELSE-SECBINFHSA-N 0 0 325.796 4.037 50 0 EIAARN CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3F)ccc21 ZINC000009136871 564170390 /nfs/dbraw/zinc/17/03/90/564170390.db2.gz DQNPHYSZHPNRMW-UHFFFAOYSA-N 0 0 340.398 4.157 50 0 EIAARN CCC[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000069587686 564170717 /nfs/dbraw/zinc/17/07/17/564170717.db2.gz YZRRDVICVALJKC-CQSZACIVSA-N 0 0 346.496 4.163 50 0 EIAARN O=C(C[C@H]1OCCc2sccc21)N(Cc1ccsc1)C1CC1 ZINC000069595041 564170809 /nfs/dbraw/zinc/17/08/09/564170809.db2.gz WFUDEIYLKOIAFX-OAHLLOKOSA-N 0 0 333.478 4.005 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1nccs1)c1ccccc1 ZINC000069595215 564170821 /nfs/dbraw/zinc/17/08/21/564170821.db2.gz DCUOLTXLKFUFAV-LJQANCHMSA-N 0 0 347.443 4.073 50 0 EIAARN Cc1ccccc1-n1cnnc1S[C@H](C)c1nc(C(C)(C)C)no1 ZINC000069597135 564170843 /nfs/dbraw/zinc/17/08/43/564170843.db2.gz CBSRKAOVSZFREL-GFCCVEGCSA-N 0 0 343.456 4.110 50 0 EIAARN CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000069622901 564171004 /nfs/dbraw/zinc/17/10/04/564171004.db2.gz MZQIHYSKVORFKG-IBGZPJMESA-N 0 0 349.438 4.272 50 0 EIAARN Cc1csc(-c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cc2)n1 ZINC000069653986 564171153 /nfs/dbraw/zinc/17/11/53/564171153.db2.gz MWCDATDZOZDIRE-UHFFFAOYSA-N 0 0 349.459 4.318 50 0 EIAARN O=C(Cc1cccs1)N[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000069697767 564171528 /nfs/dbraw/zinc/17/15/28/564171528.db2.gz CTTPYNFSXJTUKB-FQEVSTJZSA-N 0 0 348.427 4.338 50 0 EIAARN C[C@@H](NC(=O)/C=C/c1ccccn1)c1nc(-c2ccccc2)cs1 ZINC000069705308 564171661 /nfs/dbraw/zinc/17/16/61/564171661.db2.gz QTCZBMRRESAERN-PLSXKVAHSA-N 0 0 335.432 4.096 50 0 EIAARN Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)/C=C/c1ccncc1 ZINC000069776041 564172114 /nfs/dbraw/zinc/17/21/14/564172114.db2.gz MBNYVBBDUQIFSO-JXMROGBWSA-N 0 0 344.418 4.105 50 0 EIAARN O=C(Nc1cccc2ccccc21)N1CCC(Nc2cccnc2)CC1 ZINC000070007667 564173280 /nfs/dbraw/zinc/17/32/80/564173280.db2.gz PDRRLRRUCLEPQN-UHFFFAOYSA-N 0 0 346.434 4.343 50 0 EIAARN CCOC(=O)Nc1cccc(NC(=O)c2c(C)noc2C(C)C)c1C ZINC000070039067 564173475 /nfs/dbraw/zinc/17/34/75/564173475.db2.gz VWPNBGUDGHOWDM-UHFFFAOYSA-N 0 0 345.399 4.236 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3C[C@H](C)Oc4ccccc43)no2)cc1 ZINC000041155563 564173543 /nfs/dbraw/zinc/17/35/43/564173543.db2.gz MAYMLYQJTIEQNY-AWEZNQCLSA-N 0 0 334.375 4.078 50 0 EIAARN Cc1nn(C)c(C)c1CN(C(=O)c1ccc(C)cc1)c1ccccc1 ZINC000041157182 564173617 /nfs/dbraw/zinc/17/36/17/564173617.db2.gz DZXGYNIYIPICSF-UHFFFAOYSA-N 0 0 333.435 4.192 50 0 EIAARN CSc1ccccc1C(=O)NC[C@@H](O)c1cccc2ccccc21 ZINC000070635990 564174190 /nfs/dbraw/zinc/17/41/90/564174190.db2.gz PKPDWVYXUYBIEO-GOSISDBHSA-N 0 0 337.444 4.025 50 0 EIAARN CCOc1ccc(-c2n[nH]cc2C(=O)NC2CCCCC2)cc1Cl ZINC000071116113 564174655 /nfs/dbraw/zinc/17/46/55/564174655.db2.gz PZYKAMSVGDJMIL-UHFFFAOYSA-N 0 0 347.846 4.191 50 0 EIAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1c[nH]nc1-c1ccc(F)cc1 ZINC000071280163 564174877 /nfs/dbraw/zinc/17/48/77/564174877.db2.gz UYZPBHLWXFBGKP-ZDUSSCGKSA-N 0 0 339.374 4.117 50 0 EIAARN CCc1ccccc1Nc1nc(C)c(C(=O)NC2CCCC2)s1 ZINC000071326526 564174934 /nfs/dbraw/zinc/17/49/34/564174934.db2.gz VMMVXFDZBCDQEW-UHFFFAOYSA-N 0 0 329.469 4.430 50 0 EIAARN Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)s1 ZINC000071799234 564175455 /nfs/dbraw/zinc/17/54/55/564175455.db2.gz YCSFBIWRXQKROR-SFHVURJKSA-N 0 0 337.448 4.040 50 0 EIAARN O=C(c1ccccc1Cc1ccccc1)N1CCO[C@H]2CCCC[C@H]21 ZINC000071805039 564175564 /nfs/dbraw/zinc/17/55/64/564175564.db2.gz UZURYFZMIRKQEQ-RTWAWAEBSA-N 0 0 335.447 4.061 50 0 EIAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(Cl)c1 ZINC000010413152 564175658 /nfs/dbraw/zinc/17/56/58/564175658.db2.gz SKUKPYBBHCCCFU-UHFFFAOYSA-N 0 0 348.830 4.411 50 0 EIAARN C[C@@H](c1nc(C2CC2)no1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000071841197 564175846 /nfs/dbraw/zinc/17/58/46/564175846.db2.gz APCTXLSRBMIFMU-ZDUSSCGKSA-N 0 0 336.439 4.369 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)no1 ZINC000071846796 564175938 /nfs/dbraw/zinc/17/59/38/564175938.db2.gz NXALZTGYIYYABN-VYDXJSESSA-N 0 0 330.815 4.104 50 0 EIAARN O=C(c1cc2ccccc2s1)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000074099601 564176458 /nfs/dbraw/zinc/17/64/58/564176458.db2.gz KFISBESCTFUFEC-INIZCTEOSA-N 0 0 338.432 4.122 50 0 EIAARN O=C(NCC[C@H](O)c1cccs1)Nc1cccc(C(F)(F)F)c1 ZINC000077116112 564176618 /nfs/dbraw/zinc/17/66/18/564176618.db2.gz FMUKOOZRMRBXCH-LBPRGKRZSA-N 0 0 344.358 4.012 50 0 EIAARN CC(C)(C)C(=O)[Si](c1ccccc1)([Si](C)(C)C)[Si](C)(C)C ZINC000169838511 568420108 /nfs/dbraw/zinc/42/01/08/568420108.db2.gz TZSFHFZXUMRCNV-UHFFFAOYSA-N 0 0 336.700 4.330 50 0 EIAARN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)CC(C)C)C3)n2)c1 ZINC000065135343 568421092 /nfs/dbraw/zinc/42/10/92/568421092.db2.gz VDFGSAMASDABTF-GOSISDBHSA-N 0 0 337.467 4.204 50 0 EIAARN O=c1c2ccccc2nc(SC[C@@H]2CC2(Cl)Cl)n1C1CC1 ZINC000007861785 568421911 /nfs/dbraw/zinc/42/19/11/568421911.db2.gz KOXKIUNAUUVFIA-VIFPVBQESA-N 0 0 341.263 4.017 50 0 EIAARN O=c1c2[nH]c3cccc(Cl)c3c2ncn1Cc1ccccc1Cl ZINC000002241993 568422228 /nfs/dbraw/zinc/42/22/28/568422228.db2.gz CWPVDCUPWMVYBD-UHFFFAOYSA-N 0 0 344.201 4.233 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000078906687 1020868235 /nfs/dbraw/zinc/86/82/35/1020868235.db2.gz HWXZOTRAKIMKRI-UHFFFAOYSA-N 0 0 326.425 4.013 50 0 EIAARN Cc1cc([C@@H](C)NCc2ccc(CN3CCc4ccccc43)cc2)no1 ZINC000289552016 1021824704 /nfs/dbraw/zinc/82/47/04/1021824704.db2.gz CFHTVYCONQFPBM-QGZVFWFLSA-N 0 0 347.462 4.397 50 0 EIAARN O=S(=O)(c1cccc2ccccc21)N1CC[C@H](c2ccsc2)C1 ZINC000675008314 1023311166 /nfs/dbraw/zinc/31/11/66/1023311166.db2.gz QQZQRPANFNIXCV-HNNXBMFYSA-N 0 0 343.473 4.080 50 0 EIAARN O=C(Cc1cccc(Cl)c1Cl)N1CCCC[C@H]1c1ncc[nH]1 ZINC000193956172 1023577268 /nfs/dbraw/zinc/57/72/68/1023577268.db2.gz MAEMDFHVSZJUQP-ZDUSSCGKSA-N 0 0 338.238 4.013 50 0 EIAARN Cc1cc(NC(=O)N2CCSCC[C@H]2C)ccc1-c1ccncc1 ZINC000297535134 1023619173 /nfs/dbraw/zinc/61/91/73/1023619173.db2.gz XQPTWOMSZBNJIQ-OAHLLOKOSA-N 0 0 341.480 4.416 50 0 EIAARN Cc1noc(C)c1COC(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000024521600 1023689883 /nfs/dbraw/zinc/68/98/83/1023689883.db2.gz PIRDOCDHZDYSEE-CSKARUKUSA-N 0 0 341.338 4.447 50 0 EIAARN C[C@@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@@H](C)O1 ZINC000294889717 1023759743 /nfs/dbraw/zinc/75/97/43/1023759743.db2.gz YFKWCOPHWYSMNM-RKVPGOIHSA-N 0 0 331.460 4.072 50 0 EIAARN CC(C)CCC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000048367303 1024498356 /nfs/dbraw/zinc/49/83/56/1024498356.db2.gz BOXFBRFWALLNEC-UHFFFAOYSA-N 0 0 342.414 4.130 50 0 EIAARN COc1cc(CN=Nc2ncc(Cl)cc2Cl)cc(Cl)c1O ZINC000254383079 1024923374 /nfs/dbraw/zinc/92/33/74/1024923374.db2.gz PTIWFAUZGVUYMA-UHFFFAOYSA-N 0 0 346.601 4.202 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C=NN1[C@@H](C)CCC[C@@H]1C ZINC000254416578 1024943687 /nfs/dbraw/zinc/94/36/87/1024943687.db2.gz JQAAFLFHSFSORD-KBPBESRZSA-N 0 0 330.863 4.431 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C=NN1[C@H](C)CCC[C@@H]1C ZINC000254416581 1024943888 /nfs/dbraw/zinc/94/38/88/1024943888.db2.gz JQAAFLFHSFSORD-OKILXGFUSA-N 0 0 330.863 4.431 50 0 EIAARN O=C1c2ccccc2SC1=NNc1cccc(Br)c1 ZINC000254879271 1024995355 /nfs/dbraw/zinc/99/53/55/1024995355.db2.gz IEWKJEJXOHFGBX-UHFFFAOYSA-N 0 0 333.210 4.163 50 0 EIAARN O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000004991985 1025136719 /nfs/dbraw/zinc/13/67/19/1025136719.db2.gz ALEHLEAKWRKJFF-FQEVSTJZSA-N 0 0 335.790 4.194 50 0 EIAARN FC(F)(F)CCc1noc(-c2cnn(-c3ccccc3)c2C2CC2)n1 ZINC000888096930 1026008458 /nfs/dbraw/zinc/00/84/58/1026008458.db2.gz WDUJUONRLKUTOZ-UHFFFAOYSA-N 0 0 348.328 4.295 50 0 EIAARN O=C(Nc1ccc2cc[nH]c2c1)N(CCCO)[C@H]1CCc2ccccc21 ZINC000194275884 1026033988 /nfs/dbraw/zinc/03/39/88/1026033988.db2.gz IKVLLGYLOAKSRL-FQEVSTJZSA-N 0 0 349.434 4.072 50 0 EIAARN CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1cccc(O)c1 ZINC000058193428 1026335680 /nfs/dbraw/zinc/33/56/80/1026335680.db2.gz VMBXUXTWCWLRLW-ZDUSSCGKSA-N 0 0 326.396 4.210 50 0 EIAARN O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCC2(C1)CCCCC2 ZINC000119658760 1026559735 /nfs/dbraw/zinc/55/97/35/1026559735.db2.gz UAQSQFPXHKBDSX-MRXNPFEDSA-N 0 0 344.455 4.042 50 0 EIAARN CC[C@H](C)c1ccccc1OCCCn1cnc2ccccc2c1=O ZINC000003000349 1027786835 /nfs/dbraw/zinc/78/68/35/1027786835.db2.gz NEZMXCYLOWDBEY-INIZCTEOSA-N 0 0 336.435 4.379 50 0 EIAARN C(=C\c1nc(-c2ccccc2)cs1)\c1cn(Cc2cccnc2)nn1 ZINC000342198236 1027812065 /nfs/dbraw/zinc/81/20/65/1027812065.db2.gz HKMGXHUUXKVKLL-HJWRWDBZSA-N 0 0 345.431 4.015 50 0 EIAARN Cc1noc(C)c1C[C@@H](C)NC(=O)C1CCC(c2ccccc2)CC1 ZINC000080398545 1029056581 /nfs/dbraw/zinc/05/65/81/1029056581.db2.gz QOSIPZTWRGGTNV-FTXHTYHOSA-N 0 0 340.467 4.313 50 0 EIAARN Cc1noc(C)c1C[C@H](C)NC(=O)C1CCC(c2ccccc2)CC1 ZINC000080398550 1029057791 /nfs/dbraw/zinc/05/77/91/1029057791.db2.gz QOSIPZTWRGGTNV-YCMKEVRSSA-N 0 0 340.467 4.313 50 0 EIAARN Cc1ccc(-n2cccn2)cc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000190443700 1029403101 /nfs/dbraw/zinc/40/31/01/1029403101.db2.gz WEHROQOIYILLIG-INIZCTEOSA-N 0 0 347.418 4.076 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000096536939 1031178656 /nfs/dbraw/zinc/17/86/56/1031178656.db2.gz CJBQWQGVRCZEFD-KTKRTIGZSA-N 0 0 348.761 4.059 50 0 EIAARN FC(F)(F)c1nc(Cl)c(Br)cc1Br ZINC000252496878 1034266461 /nfs/dbraw/zinc/26/64/61/1034266461.db2.gz PTKXDSQYFCZKCA-UHFFFAOYSA-N 0 0 339.336 4.279 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000015541194 1034361293 /nfs/dbraw/zinc/36/12/93/1034361293.db2.gz ZPOFHRBMZIROFN-CQTFCRGUSA-N 0 0 325.383 4.211 50 0 EIAARN Cc1csc(C(=O)N2CCSC[C@@H]2c2nccs2)c1Cl ZINC000277038470 1034610801 /nfs/dbraw/zinc/61/08/01/1034610801.db2.gz MBKFSELKAJLYSI-SECBINFHSA-N 0 0 344.914 4.097 50 0 EIAARN Cc1ccc(Cn2nccc2NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000016470773 1036555347 /nfs/dbraw/zinc/55/53/47/1036555347.db2.gz KEZJFMZILCYLPA-DHZHZOJOSA-N 0 0 335.382 4.031 50 0 EIAARN O=C(Nc1ccc(Cl)cc1F)c1csc([C@@H]2CCCO2)n1 ZINC000157926155 1037266610 /nfs/dbraw/zinc/26/66/10/1037266610.db2.gz VGXSEMFFWNLAAF-LBPRGKRZSA-N 0 0 326.780 4.039 50 0 EIAARN Cc1cccc(NC(=O)NCc2cccn2Cc2ccccc2)c1C ZINC000006917664 1039858540 /nfs/dbraw/zinc/85/85/40/1039858540.db2.gz UYFYTMKKDLKLDJ-UHFFFAOYSA-N 0 0 333.435 4.475 50 0 EIAARN CCC(CC)(C(=O)N1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000793487587 1040374810 /nfs/dbraw/zinc/37/48/10/1040374810.db2.gz HVTOKDFPFNMBKV-UHFFFAOYSA-N 0 0 329.484 4.164 50 0 EIAARN COc1ccccc1/C=C\C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000096533538 1040897878 /nfs/dbraw/zinc/89/78/78/1040897878.db2.gz WQNZTGFEXUGKDS-FLIBITNWSA-N 0 0 349.352 4.086 50 0 EIAARN COc1cccc(/C=C\C(=O)Nc2ccc(Br)cc2)c1 ZINC000096556904 1040924691 /nfs/dbraw/zinc/92/46/91/1040924691.db2.gz USIZTVMPJYBNPN-YHYXMXQVSA-N 0 0 332.197 4.110 50 0 EIAARN Cc1ccc(/C=C/S(=O)(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000084148601 1041050694 /nfs/dbraw/zinc/05/06/94/1041050694.db2.gz SGFLMHVBLGHURU-WYMLVPIESA-N 0 0 345.464 4.333 50 0 EIAARN O=[S@](C/C=C/c1ccccc1)Cc1csc(-c2ccco2)n1 ZINC000084517578 1041209142 /nfs/dbraw/zinc/20/91/42/1041209142.db2.gz IJFHHJNPRZDGSV-PABBZOGXSA-N 0 0 329.446 4.365 50 0 EIAARN O=C1c2ccccc2N[C@H](/C=C/c2ccco2)N1CCc1ccccc1 ZINC000084528849 1041212890 /nfs/dbraw/zinc/21/28/90/1041212890.db2.gz RIKVWEOJLHFJPY-IWGBCORSSA-N 0 0 344.414 4.430 50 0 EIAARN C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096715714 1041463456 /nfs/dbraw/zinc/46/34/56/1041463456.db2.gz YEMQMLDFBHUTJB-XUZQSEFNSA-N 0 0 341.476 4.288 50 0 EIAARN Cc1cc(C)n(CCCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)n1 ZINC000820996391 1043897876 /nfs/dbraw/zinc/89/78/76/1043897876.db2.gz JQHYGMLLHRZFGJ-QGZVFWFLSA-N 0 0 341.499 4.153 50 0 EIAARN Cc1ncsc1CCc1nc(C2CC2)nn1Cc1ccccc1C ZINC000825236162 1044621088 /nfs/dbraw/zinc/62/10/88/1044621088.db2.gz CQIWXJRJUZJQRK-UHFFFAOYSA-N 0 0 338.480 4.062 50 0 EIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000060635454 1044843019 /nfs/dbraw/zinc/84/30/19/1044843019.db2.gz XGBFHDBJFFYUSN-LLVKDONJSA-N 0 0 325.252 4.120 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(NCCc3ccccc3)n2)cc1 ZINC000002861718 1044850392 /nfs/dbraw/zinc/85/03/92/1044850392.db2.gz RDVIOVXCTHMRHD-UHFFFAOYSA-N 0 0 337.448 4.423 50 0 EIAARN COCCn1c(C)c(C)nc1SCc1ncc(Cl)cc1Cl ZINC000183160709 1044872113 /nfs/dbraw/zinc/87/21/13/1044872113.db2.gz AESXGDMHPXZPJO-UHFFFAOYSA-N 0 0 346.283 4.140 50 0 EIAARN O=C(C[C@@H](c1ccco1)c1ccccc1)NCCc1cccs1 ZINC000827802426 1044904811 /nfs/dbraw/zinc/90/48/11/1044904811.db2.gz KPSRBNRWDOWVQF-QGZVFWFLSA-N 0 0 325.433 4.222 50 0 EIAARN C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)CC1CCCC1 ZINC000828072065 1044929667 /nfs/dbraw/zinc/92/96/67/1044929667.db2.gz GBXNIHVFFVSPPK-OAHLLOKOSA-N 0 0 328.456 4.220 50 0 EIAARN Cc1[nH]c2c(cccc2C(=O)Nc2cccc(C(=O)N(C)C)c2C)c1C ZINC000828172276 1044947353 /nfs/dbraw/zinc/94/73/53/1044947353.db2.gz UONNKOSVKWOVSN-UHFFFAOYSA-N 0 0 349.434 4.047 50 0 EIAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc2ccccc2cn1 ZINC000828215154 1044955616 /nfs/dbraw/zinc/95/56/16/1044955616.db2.gz MPCSQZLLIBVHAV-LJQANCHMSA-N 0 0 348.402 4.045 50 0 EIAARN N#CC1=C2CCC[C@H]2[C@@H](c2cccc3ccccc32)C(C#N)(C#N)C1=N ZINC000034411276 1044998240 /nfs/dbraw/zinc/99/82/40/1044998240.db2.gz CLPNFTQFPJILMI-UYAOXDASSA-N 0 0 336.398 4.043 50 0 EIAARN N#CC1=C2CCC[C@@H]2[C@@H](c2cccc3ccccc32)C(C#N)(C#N)C1=N ZINC000034411278 1044998657 /nfs/dbraw/zinc/99/86/57/1044998657.db2.gz CLPNFTQFPJILMI-AZUAARDMSA-N 0 0 336.398 4.043 50 0 EIAARN Cc1nc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)nc2ccccc12 ZINC000190161301 1046742516 /nfs/dbraw/zinc/74/25/16/1046742516.db2.gz BRVSYUPFDVJHLT-OAHLLOKOSA-N 0 0 337.389 4.349 50 0 EIAARN O=c1nc(C=Cc2cccc(O)c2)[nH]c2sc3c(c21)CCCCC3 ZINC000033466728 1047314457 /nfs/dbraw/zinc/31/44/57/1047314457.db2.gz GHENAVPDGPNEBE-KTKRTIGZSA-N 0 0 338.432 4.130 50 0 EIAARN COc1ccccc1/C=C/CNc1cccc(C[S@@](C)=O)c1C ZINC000095429141 1047780668 /nfs/dbraw/zinc/78/06/68/1047780668.db2.gz MEJNQFCXKRJYOX-KXOMFBTKSA-N 0 0 329.465 4.007 50 0 EIAARN Cc1cc(C(=O)N[C@@H](C)Cc2cccs2)c2ccc(F)cc2n1 ZINC000033206500 1047883626 /nfs/dbraw/zinc/88/36/26/1047883626.db2.gz RAJWDNKFMLIXRT-NSHDSACASA-N 0 0 328.412 4.105 50 0 EIAARN Cc1cc(C(=O)N[C@H](C)Cc2cccs2)c2ccc(F)cc2n1 ZINC000033206501 1047884294 /nfs/dbraw/zinc/88/42/94/1047884294.db2.gz RAJWDNKFMLIXRT-LLVKDONJSA-N 0 0 328.412 4.105 50 0 EIAARN CC(C)n1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cn1 ZINC000191385474 1048621303 /nfs/dbraw/zinc/62/13/03/1048621303.db2.gz XJMCTIDCJNKZSS-IBGZPJMESA-N 0 0 336.439 4.313 50 0 EIAARN C[C@H](NC(=O)NC[C@@H]1CC[C@H](O)C1)c1ccc(Cl)c2ccccc21 ZINC000191449116 1048791101 /nfs/dbraw/zinc/79/11/01/1048791101.db2.gz HFFGEWSIXLITGN-MJBXVCDLSA-N 0 0 346.858 4.014 50 0 EIAARN Cc1ccc(N2C[C@@H](c3nc(CCC(C)(C)C)no3)CC2=O)c(F)c1 ZINC000585081683 1049385677 /nfs/dbraw/zinc/38/56/77/1049385677.db2.gz GOWIDJPTDPCFEZ-ZDUSSCGKSA-N 0 0 345.418 4.016 50 0 EIAARN CCCNC(=O)c1cccc(N[C@H]2CCc3c2ccc(OC)c3F)c1 ZINC000585083697 1049403473 /nfs/dbraw/zinc/40/34/73/1049403473.db2.gz PIHDLCTZIMGYGG-KRWDZBQOSA-N 0 0 342.414 4.074 50 0 EIAARN CC[C@@H]1C[C@@H](CC(=O)Nc2ccccc2-c2ncc(C)o2)CCO1 ZINC000585124417 1049588541 /nfs/dbraw/zinc/58/85/41/1049588541.db2.gz CIKSWPBLUWUOOQ-LSDHHAIUSA-N 0 0 328.412 4.184 50 0 EIAARN COC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000585125945 1049592896 /nfs/dbraw/zinc/59/28/96/1049592896.db2.gz JGLMKMFSWSZIIQ-ORAYPTAESA-N 0 0 347.842 4.033 50 0 EIAARN Fc1ccc(OC[C@H]2CCOC2)c(-c2cnn3cc(Cl)ccc23)c1 ZINC000634355556 1049667802 /nfs/dbraw/zinc/66/78/02/1049667802.db2.gz WSCNFDCNPWVIQS-LBPRGKRZSA-N 0 0 346.789 4.209 50 0 EIAARN Fc1ccc(OC[C@@H]2CCOC2)c(-c2cnn3cc(Cl)ccc23)c1 ZINC000634355555 1049668093 /nfs/dbraw/zinc/66/80/93/1049668093.db2.gz WSCNFDCNPWVIQS-GFCCVEGCSA-N 0 0 346.789 4.209 50 0 EIAARN Cc1cc2sc(NC(=O)N3CCCc4occc4C3)nc2s1 ZINC000952845628 1049676615 /nfs/dbraw/zinc/67/66/15/1049676615.db2.gz IQIRTGKURHSNBE-UHFFFAOYSA-N 0 0 333.438 4.240 50 0 EIAARN CC[C@H]1CC[C@@H](C)N(C(=O)c2ncccc2-n2ncc3ccccc32)C1 ZINC000952845360 1049676676 /nfs/dbraw/zinc/67/66/76/1049676676.db2.gz ALBSNDIWVIBUFM-CVEARBPZSA-N 0 0 348.450 4.071 50 0 EIAARN FC(F)Oc1ccc(-c2noc(C[C@@H]3C[C@H]3c3ccccc3)n2)nc1 ZINC000952845698 1049676784 /nfs/dbraw/zinc/67/67/84/1049676784.db2.gz OUBAZSZSZIXAPP-JSGCOSHPSA-N 0 0 343.333 4.079 50 0 EIAARN CCc1ccc(-c2noc([C@H]3CCCN3C(=O)C(C)(C)C)n2)cc1 ZINC000952880559 1049681570 /nfs/dbraw/zinc/68/15/70/1049681570.db2.gz BWYVJSLLNIMQBC-OAHLLOKOSA-N 0 0 327.428 4.009 50 0 EIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(OC)cc1C ZINC000952965186 1049683406 /nfs/dbraw/zinc/68/34/06/1049683406.db2.gz SNMMOKUBCMXOBG-IBGZPJMESA-N 0 0 326.440 4.402 50 0 EIAARN CCSc1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1 ZINC000952966251 1049684781 /nfs/dbraw/zinc/68/47/81/1049684781.db2.gz GLZXLWMINWTTDZ-UHFFFAOYSA-N 0 0 332.444 4.008 50 0 EIAARN Cc1nc([C@H](C)NC(=O)C(C)(C)Nc2ccc(C)cc2)c(C)s1 ZINC000952979642 1049687390 /nfs/dbraw/zinc/68/73/90/1049687390.db2.gz 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CCCCC(=O)Nc1ccc(NC(=O)c2cccc(O)c2C)cc1 ZINC000055168546 214282764 /nfs/dbraw/zinc/28/27/64/214282764.db2.gz NJIDMPJODKUXNE-UHFFFAOYSA-N 0 0 326.396 4.082 50 0 EIAARN CC(C)c1csc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)n1 ZINC000055182503 214284132 /nfs/dbraw/zinc/28/41/32/214284132.db2.gz ZRZOPZUKDHLDBJ-MRXNPFEDSA-N 0 0 333.476 4.482 50 0 EIAARN O=C(Nc1ccccc1OCCCc1ccccc1)c1ccccn1 ZINC000055254242 214296195 /nfs/dbraw/zinc/29/61/95/214296195.db2.gz WUHXGLROXGXEMO-UHFFFAOYSA-N 0 0 332.403 4.346 50 0 EIAARN Cc1ccc(C)c(NC(=O)CSCc2cn3cc(C)ccc3n2)c1 ZINC000055254525 214296838 /nfs/dbraw/zinc/29/68/38/214296838.db2.gz YUUYLXLFIVNKLG-UHFFFAOYSA-N 0 0 339.464 4.131 50 0 EIAARN Cc1nc(CCNC(=O)CC23CC4CC(CC(C4)C2)C3)sc1C ZINC000055225904 214291719 /nfs/dbraw/zinc/29/17/19/214291719.db2.gz DQSSCHWGPCNXSL-UHFFFAOYSA-N 0 0 332.513 4.025 50 0 EIAARN O=C(CSCc1ccccc1Cl)N(Cc1cccnc1)C1CC1 ZINC000055341506 214309124 /nfs/dbraw/zinc/30/91/24/214309124.db2.gz FPICUWWFYRVAQM-UHFFFAOYSA-N 0 0 346.883 4.159 50 0 EIAARN Cc1cccc(Cn2cc(C=C3SC(=O)NC3=O)c3ccccc32)c1 ZINC000004688154 210248085 /nfs/dbraw/zinc/24/80/85/210248085.db2.gz XFUPANYQJACQCG-ZDLGFXPLSA-N 0 0 348.427 4.322 50 0 EIAARN Fc1ccc([C@H](NCc2nc(-c3ccco3)no2)c2ccccc2)cc1 ZINC000055855307 214345055 /nfs/dbraw/zinc/34/50/55/214345055.db2.gz YBAOXSQFAGEKBK-LJQANCHMSA-N 0 0 349.365 4.348 50 0 EIAARN Cc1noc(C)c1CNc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000055880522 214345884 /nfs/dbraw/zinc/34/58/84/214345884.db2.gz KMTLMVUGNDJRPK-UHFFFAOYSA-N 0 0 335.407 4.180 50 0 EIAARN COc1ccc(-c2nc(CSCc3nc(C4CC4)no3)co2)cc1 ZINC000056242979 214366989 /nfs/dbraw/zinc/36/69/89/214366989.db2.gz PASGCRFTLGOJCX-UHFFFAOYSA-N 0 0 343.408 4.044 50 0 EIAARN Cc1ccc(F)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412353 214426079 /nfs/dbraw/zinc/42/60/79/214426079.db2.gz YTVQTUXBGSOFGP-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CSc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000057416191 214427439 /nfs/dbraw/zinc/42/74/39/214427439.db2.gz MDFXDLAKMPIAIZ-UHFFFAOYSA-N 0 0 330.840 4.473 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1c(C)noc1C1CC1 ZINC000155030216 529486540 /nfs/dbraw/zinc/48/65/40/529486540.db2.gz BICRSRNMUQANME-CYBMUJFWSA-N 0 0 331.441 4.463 50 0 EIAARN COc1ccccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000049929294 214035654 /nfs/dbraw/zinc/03/56/54/214035654.db2.gz GYPDFSIWTGCYKQ-HNNXBMFYSA-N 0 0 338.432 4.282 50 0 EIAARN O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000058012630 214471473 /nfs/dbraw/zinc/47/14/73/214471473.db2.gz VVWBPPNXOCEOKN-SFHVURJKSA-N 0 0 334.891 4.316 50 0 EIAARN Clc1ccc(Cc2nnc3sc(C4CCCCC4)nn23)cc1 ZINC000004667827 210241170 /nfs/dbraw/zinc/24/11/70/210241170.db2.gz RLNJLABHINYCQF-UHFFFAOYSA-N 0 0 332.860 4.478 50 0 EIAARN CC[C@H](C)N(C(=O)CCCc1cccs1)c1ccc(C(N)=O)cc1 ZINC000058157249 214484779 /nfs/dbraw/zinc/48/47/79/214484779.db2.gz WHZAFMQEXQLANH-AWEZNQCLSA-N 0 0 344.480 4.001 50 0 EIAARN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000058201256 214500931 /nfs/dbraw/zinc/50/09/31/214500931.db2.gz YJAVKKNOVULTDQ-CYBMUJFWSA-N 0 0 334.847 4.115 50 0 EIAARN COc1ccc(N(C)C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)cn1 ZINC000058270230 214523917 /nfs/dbraw/zinc/52/39/17/214523917.db2.gz AQEHYLJXTYOMOX-UHFFFAOYSA-N 0 0 337.423 4.146 50 0 EIAARN CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCCCCC2 ZINC000004627712 210235003 /nfs/dbraw/zinc/23/50/03/210235003.db2.gz TVRNGOZZANVJFV-UHFFFAOYSA-N 0 0 325.430 4.152 50 0 EIAARN O=C(/C=C\c1ccc(Cl)cc1)N(C[C@@H]1CCOC1)c1ccccc1 ZINC000098054661 219074487 /nfs/dbraw/zinc/07/44/87/219074487.db2.gz PKCVSLUIRSQDDO-NLZINVLXSA-N 0 0 341.838 4.423 50 0 EIAARN NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccccc1 ZINC000004604027 210230976 /nfs/dbraw/zinc/23/09/76/210230976.db2.gz HNNNZTDOQVGHDS-SILNSSARSA-N 0 0 333.174 4.071 50 0 EIAARN O=C(NCc1ccco1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004602976 210230520 /nfs/dbraw/zinc/23/05/20/210230520.db2.gz CRGPZXNHGLVJFN-UHFFFAOYSA-N 0 0 343.386 4.062 50 0 EIAARN Cc1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(N)=O)c1 ZINC000004600617 210230357 /nfs/dbraw/zinc/23/03/57/210230357.db2.gz BXWJFWXWHCFIJU-FXBPSFAMSA-N 0 0 347.201 4.379 50 0 EIAARN O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1 ZINC000004603736 210230416 /nfs/dbraw/zinc/23/04/16/210230416.db2.gz YWVGNOFKRNJGCS-UHFFFAOYSA-N 0 0 341.476 4.087 50 0 EIAARN Cc1cc(CNC(=O)/C=C\c2sc3ccccc3c2Cl)no1 ZINC000098055280 219075435 /nfs/dbraw/zinc/07/54/35/219075435.db2.gz NQOKRBGUECPHCK-SREVYHEPSA-N 0 0 332.812 4.181 50 0 EIAARN O=C(Nc1ccc(Br)cc1)C1C2CC3CC(C2)CC1C3 ZINC000004592057 210229643 /nfs/dbraw/zinc/22/96/43/210229643.db2.gz XXRSEIQPRXNTLX-UHFFFAOYSA-N 0 0 334.257 4.460 50 0 EIAARN O=C(COc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 ZINC000004593209 210229322 /nfs/dbraw/zinc/22/93/22/210229322.db2.gz DSIGERPHEMPZEN-UHFFFAOYSA-N 0 0 331.371 4.201 50 0 EIAARN CC(=O)COc1cc2c(cc1C)oc(=O)cc2-c1cc2ccccc2o1 ZINC000004586264 210228319 /nfs/dbraw/zinc/22/83/19/210228319.db2.gz ZVSHCFWHPULWOJ-UHFFFAOYSA-N 0 0 348.354 4.482 50 0 EIAARN Cc1nc(C)c(C(=O)N(Cc2nccs2)Cc2ccccc2)s1 ZINC000063835560 214769547 /nfs/dbraw/zinc/76/95/47/214769547.db2.gz RHPSDSNJZFZZBG-UHFFFAOYSA-N 0 0 343.477 4.059 50 0 EIAARN CCSc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)NC)cc1 ZINC000004585871 210227221 /nfs/dbraw/zinc/22/72/21/210227221.db2.gz QYWJYVJHWQPBPD-UHFFFAOYSA-N 0 0 348.493 4.089 50 0 EIAARN CSc1sc(NC(=O)CSCc2cccc(C)c2)nc1C ZINC000060241519 214630371 /nfs/dbraw/zinc/63/03/71/214630371.db2.gz HUOXZKCGMMUBFH-UHFFFAOYSA-N 0 0 338.523 4.354 50 0 EIAARN Cc1ccc2cc(C(=O)NCCc3cc(F)cc(F)c3)c(C)nc2c1 ZINC000060310200 214631507 /nfs/dbraw/zinc/63/15/07/214631507.db2.gz VROMPARROSSNAX-UHFFFAOYSA-N 0 0 340.373 4.102 50 0 EIAARN CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OC(C)C)CC(=O)N2 ZINC000061721170 214675216 /nfs/dbraw/zinc/67/52/16/214675216.db2.gz WGFCIRKLZGWHAX-LLVKDONJSA-N 0 0 347.440 4.104 50 0 EIAARN CCc1cc(=O)oc2c1ccc1c2CN(Cc2cc(C)cc(C)c2)CO1 ZINC000061949766 214689164 /nfs/dbraw/zinc/68/91/64/214689164.db2.gz HLMZJRGQHALJCO-UHFFFAOYSA-N 0 0 349.430 4.324 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 ZINC000061997699 214691812 /nfs/dbraw/zinc/69/18/12/214691812.db2.gz WSMJIHYAESAIDE-UHFFFAOYSA-N 0 0 341.794 4.107 50 0 biogenic EIAARN CCN(CC)C(=O)SCC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000004520447 210212738 /nfs/dbraw/zinc/21/27/38/210212738.db2.gz ZXZOMVFXFOAYHF-UHFFFAOYSA-N 0 0 342.464 4.072 50 0 EIAARN O=C(CSc1ncnc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000004520550 210212494 /nfs/dbraw/zinc/21/24/94/210212494.db2.gz RAHATFURHWFHDB-UHFFFAOYSA-N 0 0 334.444 4.484 50 0 EIAARN COc1ccc2nc(NC(=O)c3cccc(SC)c3)sc2c1 ZINC000004517473 210211697 /nfs/dbraw/zinc/21/16/97/210211697.db2.gz SPJRGGVPUMTSNB-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN CSc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000004517550 210211449 /nfs/dbraw/zinc/21/14/49/210211449.db2.gz IQYGHTNAXMSJFA-UHFFFAOYSA-N 0 0 345.811 4.364 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(O)cc1 ZINC000004512101 210210266 /nfs/dbraw/zinc/21/02/66/210210266.db2.gz ZKXMREHLAITOBR-UHFFFAOYSA-N 0 0 328.755 4.261 50 0 EIAARN Clc1ccc(Cl)c(-c2nn3c(nnc3-c3cccnc3)s2)c1 ZINC000004511744 210209332 /nfs/dbraw/zinc/20/93/32/210209332.db2.gz LDQMQNZZTRIUIA-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN Cc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 ZINC000004503001 210207038 /nfs/dbraw/zinc/20/70/38/210207038.db2.gz FTZQFZNXIYMZLG-UHFFFAOYSA-N 0 0 348.280 4.025 50 0 EIAARN CCOc1cccc2sc(NC(=O)CSc3ccccc3)nc21 ZINC000004496623 210203783 /nfs/dbraw/zinc/20/37/83/210203783.db2.gz ZDRJUFGOCIWSQN-UHFFFAOYSA-N 0 0 344.461 4.426 50 0 EIAARN Cc1nn(C[C@H](O)COc2ccc3ccccc3c2Cl)c(C)c1C ZINC000004487278 210201193 /nfs/dbraw/zinc/20/11/93/210201193.db2.gz RUQWPSFGTOSERO-INIZCTEOSA-N 0 0 344.842 4.055 50 0 EIAARN COc1ccc(C(=O)[C@H](C)Sc2nc3cc(C)ccc3[nH]2)cc1 ZINC000004485935 210200375 /nfs/dbraw/zinc/20/03/75/210200375.db2.gz UDWNCDGXVGJRDP-LBPRGKRZSA-N 0 0 326.421 4.243 50 0 EIAARN COc1ccc(C(=O)[C@@H](C)Sc2nc3cc(C)ccc3[nH]2)cc1 ZINC000004485936 210199884 /nfs/dbraw/zinc/19/98/84/210199884.db2.gz UDWNCDGXVGJRDP-GFCCVEGCSA-N 0 0 326.421 4.243 50 0 EIAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)NCC1CCCCC1 ZINC000004485028 210199925 /nfs/dbraw/zinc/19/99/25/210199925.db2.gz NJFZKPFHYQIUMC-UHFFFAOYSA-N 0 0 337.876 4.005 50 0 EIAARN Oc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc32)cc1 ZINC000100627033 219102893 /nfs/dbraw/zinc/10/28/93/219102893.db2.gz QXLLAUZEOMPJII-UHFFFAOYSA-N 0 0 329.359 4.452 50 0 EIAARN Cc1cccc(C2=N/C(=C\c3ccc(Br)s3)C(=O)O2)c1 ZINC000004471184 210195545 /nfs/dbraw/zinc/19/55/45/210195545.db2.gz FFPMOGQOPKUHAT-WQLSENKSSA-N 0 0 348.221 4.164 50 0 EIAARN Nn1c(Cc2cccc3ccccc32)nnc1SCc1ccccc1 ZINC000004469260 210194923 /nfs/dbraw/zinc/19/49/23/210194923.db2.gz OLOZGDCEMCSSPZ-UHFFFAOYSA-N 0 0 346.459 4.028 50 0 EIAARN CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O ZINC000004457220 210194004 /nfs/dbraw/zinc/19/40/04/210194004.db2.gz VYIUKFSEODDIQN-LFIBNONCSA-N 0 0 326.421 4.150 50 0 EIAARN CSc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000100717291 219105186 /nfs/dbraw/zinc/10/51/86/219105186.db2.gz CVTXGQVFZVMYEC-INIZCTEOSA-N 0 0 338.411 4.195 50 0 EIAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2)c(Cl)c1 ZINC000064580931 214794307 /nfs/dbraw/zinc/79/43/07/214794307.db2.gz PKDMHIGDMPEDLS-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000064579972 214794926 /nfs/dbraw/zinc/79/49/26/214794926.db2.gz UWHYENVJYUFGBQ-LJQANCHMSA-N 0 0 327.399 4.131 50 0 EIAARN CCOc1ccc([C@H]2CC(c3ccc(C)cc3)=Nc3ncnn32)cc1 ZINC000101028815 219114498 /nfs/dbraw/zinc/11/44/98/219114498.db2.gz AKVDNAPAHBKDSU-LJQANCHMSA-N 0 0 332.407 4.041 50 0 EIAARN Cc1cc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc(C)c1O ZINC000004361557 210180806 /nfs/dbraw/zinc/18/08/06/210180806.db2.gz XSLDFMIMFSEIQB-UHFFFAOYSA-N 0 0 345.398 4.492 50 0 EIAARN Cc1cccc(C[S@@](=O)Cc2csc(Cc3ccccc3)n2)c1 ZINC000064826698 214808074 /nfs/dbraw/zinc/80/80/74/214808074.db2.gz JJNRMMJZKXPIQB-QHCPKHFHSA-N 0 0 341.501 4.491 50 0 EIAARN Clc1ccc(C2=Nc3ncnn3[C@H](c3ccco3)C2)c(Cl)c1 ZINC000101129590 219117171 /nfs/dbraw/zinc/11/71/71/219117171.db2.gz VESASEZZFAZCGU-ZDUSSCGKSA-N 0 0 333.178 4.234 50 0 EIAARN O=C(CSc1ccc(-c2ccncc2)nn1)c1ccc(Cl)cc1 ZINC000004358276 210179427 /nfs/dbraw/zinc/17/94/27/210179427.db2.gz UQQNZAAJHNJTPC-UHFFFAOYSA-N 0 0 341.823 4.167 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3N[C@H](C)c2ccccc2)cc1 ZINC000004354988 210179256 /nfs/dbraw/zinc/17/92/56/210179256.db2.gz AXFRDGWJMVXSNR-OAHLLOKOSA-N 0 0 329.407 4.297 50 0 EIAARN CCCNC(=O)c1cc2oc(C)cc2n1CCCOc1ccccc1 ZINC000004345691 210177791 /nfs/dbraw/zinc/17/77/91/210177791.db2.gz IGDDPFSBOXRTRJ-UHFFFAOYSA-N 0 0 340.423 4.152 50 0 EIAARN COc1cc(C=O)cc(Br)c1OCc1cccc(C)c1 ZINC000004342721 210176413 /nfs/dbraw/zinc/17/64/13/210176413.db2.gz MCRZEGYDSTZPBA-UHFFFAOYSA-N 0 0 335.197 4.158 50 0 EIAARN CCOc1ccc(NC(=S)Nc2cc(-c3cccs3)[nH]n2)cc1 ZINC000004344959 210175404 /nfs/dbraw/zinc/17/54/04/210175404.db2.gz JUKYZPZAIXMVQG-UHFFFAOYSA-N 0 0 344.465 4.346 50 0 EIAARN COC(=O)c1cc(Nc2cc(F)ccc2F)c2cccc(C)c2n1 ZINC000065033670 214823729 /nfs/dbraw/zinc/82/37/29/214823729.db2.gz YSOGBDGZJRHLCE-UHFFFAOYSA-N 0 0 328.318 4.352 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1 ZINC000065114182 214829680 /nfs/dbraw/zinc/82/96/80/214829680.db2.gz FUAWFALJKPTDND-UHFFFAOYSA-N 0 0 339.370 4.306 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)cc(F)c1 ZINC000065114206 214829684 /nfs/dbraw/zinc/82/96/84/214829684.db2.gz XQHXMRBBZZRASD-UHFFFAOYSA-N 0 0 343.333 4.137 50 0 EIAARN O[C@H]1CCCC[C@@H]1C1(NC(=S)Nc2ccccc2)CCCCC1 ZINC000004333701 210172769 /nfs/dbraw/zinc/17/27/69/210172769.db2.gz PTBLMHUNNYYRFT-IRXDYDNUSA-N 0 0 332.513 4.227 50 0 EIAARN CCCn1cc2c3c1cccc3CN(C(=O)c1ccccc1F)CC2 ZINC000065148642 214832724 /nfs/dbraw/zinc/83/27/24/214832724.db2.gz CASVNAHJDGZYQV-UHFFFAOYSA-N 0 0 336.410 4.389 50 0 EIAARN CC(C)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000004328190 210171923 /nfs/dbraw/zinc/17/19/23/210171923.db2.gz WKANPGHSPHNOPX-UHFFFAOYSA-N 0 0 327.862 4.078 50 0 EIAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn(Cc3ccccc3)c(=N)c12 ZINC000101418766 219126579 /nfs/dbraw/zinc/12/65/79/219126579.db2.gz WPFBZNZUDDWAHW-UHFFFAOYSA-N 0 0 342.446 4.280 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(c3ccc(O)cc3)CC2)C1(C)C ZINC000048355652 213930162 /nfs/dbraw/zinc/93/01/62/213930162.db2.gz AMHTYSMKMZIUOP-OALUTQOASA-N 0 0 327.468 4.337 50 0 EIAARN COc1ccc(Cc2nc(-c3ccc4ncn(C(C)C)c4c3)no2)cc1 ZINC000065240621 214850563 /nfs/dbraw/zinc/85/05/63/214850563.db2.gz NDZNXFGTHYSHII-UHFFFAOYSA-N 0 0 348.406 4.267 50 0 EIAARN COc1ccc(CCNc2ncnc3c4ccccc4oc32)cc1OC ZINC000004302057 210163778 /nfs/dbraw/zinc/16/37/78/210163778.db2.gz ZWVLMEWKOITMFF-UHFFFAOYSA-N 0 0 349.390 4.048 50 0 EIAARN Cc1[nH]c2c(cc(C)cc2CNC(=O)COC2CCCCC2)c1C ZINC000048345888 213927685 /nfs/dbraw/zinc/92/76/85/213927685.db2.gz DNKSDZILEBRJFT-UHFFFAOYSA-N 0 0 328.456 4.059 50 0 EIAARN O=[S@](NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1 ZINC000004293921 210162693 /nfs/dbraw/zinc/16/26/93/210162693.db2.gz OBXHPMFEIMRIAU-WRJJDOBMSA-N 0 0 325.477 4.421 50 0 EIAARN CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000004283750 210161338 /nfs/dbraw/zinc/16/13/38/210161338.db2.gz VSWMUXFLGZLNOH-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccc(Cl)c1 ZINC000004275893 210158530 /nfs/dbraw/zinc/15/85/30/210158530.db2.gz UOWNNZXRWQNRRC-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCc1ccc2[nH]c(C)cc2c1 ZINC000004265979 210155418 /nfs/dbraw/zinc/15/54/18/210155418.db2.gz KLEPWVJHEKHATM-UHFFFAOYSA-N 0 0 328.799 4.068 50 0 EIAARN CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1-n1cccn1 ZINC000048151122 213890784 /nfs/dbraw/zinc/89/07/84/213890784.db2.gz YQDZESFRXBMNEA-UHFFFAOYSA-N 0 0 338.386 4.065 50 0 EIAARN C/C(=C\c1ccccc1)[C@H]1CC(=O)Nc2c1cnn2Cc1ccco1 ZINC000065407823 214897650 /nfs/dbraw/zinc/89/76/50/214897650.db2.gz GBPAKBBOBGAHLQ-IDKBZEPQSA-N 0 0 333.391 4.054 50 0 EIAARN O=C(C[C@](O)(c1ccccc1)C(F)(F)C(F)F)c1cccs1 ZINC000004197922 210144016 /nfs/dbraw/zinc/14/40/16/210144016.db2.gz NQEQEWWIEDXSKV-AWEZNQCLSA-N 0 0 332.318 4.109 50 0 EIAARN Cc1ccnc2sc(C(=O)c3ccc(Br)cc3)c(N)c21 ZINC000004193629 210143111 /nfs/dbraw/zinc/14/31/11/210143111.db2.gz VIJSMGZXNGCHDO-UHFFFAOYSA-N 0 0 347.237 4.180 50 0 EIAARN NC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCCC2 ZINC000004176848 210140245 /nfs/dbraw/zinc/14/02/45/210140245.db2.gz QVLMPUDYBCHYAX-UHFFFAOYSA-N 0 0 348.855 4.022 50 0 EIAARN CC(=O)c1cc(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)n(C)c1 ZINC000065475604 214924780 /nfs/dbraw/zinc/92/47/80/214924780.db2.gz MHSXDFXKIVVFAZ-UHFFFAOYSA-N 0 0 337.423 4.091 50 0 EIAARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)ns2)c1 ZINC000004167220 210136996 /nfs/dbraw/zinc/13/69/96/210136996.db2.gz RBAZUOYEEKKWJZ-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN Fc1ccccc1CSc1ccc2nnc(-c3ccccc3)n2n1 ZINC000004164219 210136644 /nfs/dbraw/zinc/13/66/44/210136644.db2.gz HDDWPQYLZAJVOO-UHFFFAOYSA-N 0 0 336.395 4.223 50 0 EIAARN Cc1ccc2cc(C(=O)N[C@H](c3ccccc3)c3ccccn3)[nH]c2c1 ZINC000065492150 214932157 /nfs/dbraw/zinc/93/21/57/214932157.db2.gz JMUXZJHDMUWLEU-OAQYLSRUSA-N 0 0 341.414 4.391 50 0 EIAARN CCCOc1ccccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CCCC3 ZINC000004150492 210132372 /nfs/dbraw/zinc/13/23/72/210132372.db2.gz MZPKFJTUEIYLHP-KRWDZBQOSA-N 0 0 342.464 4.270 50 0 EIAARN CC(C)CCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000065554147 214959644 /nfs/dbraw/zinc/95/96/44/214959644.db2.gz XTWHJBJRCTXTRH-MRXNPFEDSA-N 0 0 327.428 4.226 50 0 EIAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc(N2CC[C@H](C)C2)cc1 ZINC000065585265 214967091 /nfs/dbraw/zinc/96/70/91/214967091.db2.gz WAUPCKCDXATISF-ZDUSSCGKSA-N 0 0 327.428 4.205 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCN=C1SCc1cccc(Cl)c1 ZINC000004120622 210125787 /nfs/dbraw/zinc/12/57/87/210125787.db2.gz MHOIADADILJCTN-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN O=C(C1CCCCC1)N1CCN=C1SCc1ccccc1Cl ZINC000004120250 210125200 /nfs/dbraw/zinc/12/52/00/210125200.db2.gz MELZIXXNJLYWJY-UHFFFAOYSA-N 0 0 336.888 4.352 50 0 EIAARN Cc1ccc(C(=O)N2CCN=C2SCc2cccc(F)c2)cc1C ZINC000004119855 210125244 /nfs/dbraw/zinc/12/52/44/210125244.db2.gz XLROAGHMMDFBLK-UHFFFAOYSA-N 0 0 342.439 4.188 50 0 EIAARN Cc1cccc(CSC2=NCCN2C(=O)c2c(F)cccc2F)c1 ZINC000004120209 210124931 /nfs/dbraw/zinc/12/49/31/210124931.db2.gz MECIBEOGDQIPIM-UHFFFAOYSA-N 0 0 346.402 4.018 50 0 EIAARN Cc1ccc(C)c(C[C@H]2C(=O)Nc3ccc(Br)cc32)c1 ZINC000101728000 219160327 /nfs/dbraw/zinc/16/03/27/219160327.db2.gz LXJHEXZWZCSCMD-OAHLLOKOSA-N 0 0 330.225 4.344 50 0 EIAARN CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000065594602 214974095 /nfs/dbraw/zinc/97/40/95/214974095.db2.gz NLUMKFBJXHRPDY-AWEZNQCLSA-N 0 0 347.503 4.358 50 0 EIAARN Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000046650269 213804866 /nfs/dbraw/zinc/80/48/66/213804866.db2.gz FZWFSKOUZQJNBU-CJNGLKHVSA-N 0 0 348.402 4.044 50 0 EIAARN CC(C)Sc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 ZINC000004108127 210122654 /nfs/dbraw/zinc/12/26/54/210122654.db2.gz YQLRGSDCFZFTHG-ZDUSSCGKSA-N 0 0 346.521 4.023 50 0 EIAARN O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/COc1ccccc1 ZINC000004108555 210122497 /nfs/dbraw/zinc/12/24/97/210122497.db2.gz RPWKCCRFSJKBCQ-BEBFYNPSSA-N 0 0 337.419 4.423 50 0 EIAARN O=C(Oc1ccc2c(c1)C(=O)c1ccccc1CO2)c1ccccc1 ZINC000004107786 210122368 /nfs/dbraw/zinc/12/23/68/210122368.db2.gz DRFPUJJJAFNTNP-UHFFFAOYSA-N 0 0 330.339 4.029 50 0 EIAARN CCCCCOc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000004107291 210121817 /nfs/dbraw/zinc/12/18/17/210121817.db2.gz UQTNJWIHOOGIEM-UHFFFAOYSA-N 0 0 341.367 4.151 50 0 EIAARN O=S1(=O)c2ccccc2N=NN1Cc1cc(Cl)cc(Cl)c1 ZINC000004105271 210120824 /nfs/dbraw/zinc/12/08/24/210120824.db2.gz YFHQSOONYZEOJS-UHFFFAOYSA-N 0 0 342.207 4.197 50 0 EIAARN O=c1[nH]c(SCCOc2ccc(Cl)cc2)nc2ccccc12 ZINC000004095000 210119343 /nfs/dbraw/zinc/11/93/43/210119343.db2.gz SMHKAPOPXCNRSP-UHFFFAOYSA-N 0 0 332.812 4.160 50 0 EIAARN O[C@@](c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl ZINC000004099031 210118772 /nfs/dbraw/zinc/11/87/72/210118772.db2.gz NHOWDZOIZKMVAI-KRWDZBQOSA-N 0 0 331.202 4.068 50 0 endogenous,in-man EIAARN O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 ZINC000065623648 214985760 /nfs/dbraw/zinc/98/57/60/214985760.db2.gz UVRCHJLMLBDUGI-MSOLQXFVSA-N 0 0 326.827 4.030 50 0 EIAARN CCN(C(=O)C(=O)c1c(C)n(C)c2ccccc21)c1ccc(C)c(C)c1 ZINC000004062755 210111392 /nfs/dbraw/zinc/11/13/92/210111392.db2.gz LBCMUIANLYAKHA-UHFFFAOYSA-N 0 0 348.446 4.339 50 0 EIAARN CC(C)c1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000004071011 210112257 /nfs/dbraw/zinc/11/22/57/210112257.db2.gz XFDPJZPQZJJNNX-UHFFFAOYSA-N 0 0 330.453 4.163 50 0 EIAARN CC[C@](C)(Nc1ccccc1)c1nnnn1-c1cc(Cl)ccc1C ZINC000004042539 210107831 /nfs/dbraw/zinc/10/78/31/210107831.db2.gz WAOXLRDKINNHQB-SFHVURJKSA-N 0 0 341.846 4.361 50 0 EIAARN Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)CC(=O)N2 ZINC000046016676 213772474 /nfs/dbraw/zinc/77/24/74/213772474.db2.gz FEWCZRXLGYJANK-SFHVURJKSA-N 0 0 347.418 4.080 50 0 EIAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1c(C)cccc1C ZINC000045967291 213769124 /nfs/dbraw/zinc/76/91/24/213769124.db2.gz QQOMZHAFEZCUER-UHFFFAOYSA-N 0 0 335.407 4.124 50 0 EIAARN Cc1noc2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000004025683 210101425 /nfs/dbraw/zinc/10/14/25/210101425.db2.gz CWEKHXSSQMBRHH-GDXXKUFXSA-N 0 0 327.468 4.320 50 0 biogenic EIAARN Oc1ccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)cc1 ZINC000003909941 210092114 /nfs/dbraw/zinc/09/21/14/210092114.db2.gz DVVWADCFBPDNPL-UHFFFAOYSA-N 0 0 336.782 4.499 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000003907652 210091261 /nfs/dbraw/zinc/09/12/61/210091261.db2.gz OYHXBOMDNOHTRI-UHFFFAOYSA-N 0 0 326.783 4.267 50 0 EIAARN CCOCCCNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003896333 210086620 /nfs/dbraw/zinc/08/66/20/210086620.db2.gz BZTPZHMJDIAFOI-UHFFFAOYSA-N 0 0 340.448 4.120 50 0 EIAARN O=c1c2sccc2[nH]c(=S)n1-c1cccc(Cl)c1Cl ZINC000102264771 219192927 /nfs/dbraw/zinc/19/29/27/219192927.db2.gz YKSABKBAYMEAIR-UHFFFAOYSA-N 0 0 329.233 4.043 50 0 EIAARN Cc1ccc(-c2nc(C[S@](=O)Cc3ccccc3F)co2)cc1 ZINC000066299684 215032056 /nfs/dbraw/zinc/03/20/56/215032056.db2.gz QYAKDFRFTZZPNT-QHCPKHFHSA-N 0 0 329.396 4.238 50 0 EIAARN Cc1c2cc3c(cc2[nH]c(=O)c1Sc1ccc(Cl)cc1)OCO3 ZINC000003640998 210070786 /nfs/dbraw/zinc/07/07/86/210070786.db2.gz GRVVFARKLHOKLS-UHFFFAOYSA-N 0 0 345.807 4.370 50 0 EIAARN Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)c(C)c1 ZINC000003647917 210070258 /nfs/dbraw/zinc/07/02/58/210070258.db2.gz LQNBHIKLYATTSC-MRXNPFEDSA-N 0 0 326.421 4.250 50 0 EIAARN O=C(NC1CCCCC1)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000003627977 210069190 /nfs/dbraw/zinc/06/91/90/210069190.db2.gz PVTMBLCXFRKZHU-UHFFFAOYSA-N 0 0 346.430 4.467 50 0 EIAARN COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1Cl ZINC000003609142 210064481 /nfs/dbraw/zinc/06/44/81/210064481.db2.gz JERNCVQLVNHEIB-UHFFFAOYSA-N 0 0 328.799 4.401 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000003607375 210064272 /nfs/dbraw/zinc/06/42/72/210064272.db2.gz FWIHQEHBPKZJHA-ZDUSSCGKSA-N 0 0 331.799 4.257 50 0 EIAARN COC(=O)Nc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1F ZINC000066489546 215047587 /nfs/dbraw/zinc/04/75/87/215047587.db2.gz ZEDSAKGPPVWAJB-UHFFFAOYSA-N 0 0 340.713 4.049 50 0 EIAARN C[C@H](NC(=O)N1CCC[C@H]1c1ccncc1)c1ccc(Cl)s1 ZINC000044970069 213693502 /nfs/dbraw/zinc/69/35/02/213693502.db2.gz DFQGXXDSNHSDMG-AAEUAGOBSA-N 0 0 335.860 4.404 50 0 EIAARN COc1ccc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000003552889 210053534 /nfs/dbraw/zinc/05/35/34/210053534.db2.gz RANZEVSBFSFYNK-NSHDSACASA-N 0 0 338.234 4.422 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(Oc2ccccc2)cc1 ZINC000003552748 210053503 /nfs/dbraw/zinc/05/35/03/210053503.db2.gz JUFLRDQEKDWLTI-UHFFFAOYSA-N 0 0 337.404 4.460 50 0 EIAARN O=C(OCc1nnc(-c2ccccc2)o1)c1csc2c1CCCC2 ZINC000003552107 210053204 /nfs/dbraw/zinc/05/32/04/210053204.db2.gz RWJWDAJTXVSVJT-UHFFFAOYSA-N 0 0 340.404 4.034 50 0 EIAARN C[C@H](NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1cccnc1 ZINC000044951404 213686038 /nfs/dbraw/zinc/68/60/38/213686038.db2.gz BTXXTURTBNVIJF-XHDPSFHLSA-N 0 0 347.871 4.332 50 0 EIAARN COc1cccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000003560997 210054369 /nfs/dbraw/zinc/05/43/69/210054369.db2.gz YKJPXDLPAQTTMK-BJMVGYQFSA-N 0 0 337.297 4.246 50 0 EIAARN Cc1ccccc1-c1nc(C(=O)N(Cc2ccncc2)C2CC2)cs1 ZINC000066629172 215061422 /nfs/dbraw/zinc/06/14/22/215061422.db2.gz FXYQEDJDJXRWKS-UHFFFAOYSA-N 0 0 349.459 4.318 50 0 EIAARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccco3)C2)cc1 ZINC000102581941 219211601 /nfs/dbraw/zinc/21/16/01/219211601.db2.gz YCFGNBLDKQAEFH-KUHUBIRLSA-N 0 0 346.390 4.245 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1cccc(Br)c1 ZINC000003452040 210044570 /nfs/dbraw/zinc/04/45/70/210044570.db2.gz JBYVOGGVLXMGNQ-UHFFFAOYSA-N 0 0 329.197 4.112 50 0 EIAARN O=C1CS[C@@H](c2ccc(O)cc2)c2cnn(-c3ccccc3)c2N1 ZINC000044894189 213662520 /nfs/dbraw/zinc/66/25/20/213662520.db2.gz DMYZCXVCOLRTQZ-KRWDZBQOSA-N 0 0 337.404 4.002 50 0 EIAARN O=C(c1ccc(N2CCCC2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000066762249 215077251 /nfs/dbraw/zinc/07/72/51/215077251.db2.gz FSGANIUELFXPSA-IBGZPJMESA-N 0 0 349.478 4.092 50 0 EIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2Br)c1 ZINC000003445754 210041418 /nfs/dbraw/zinc/04/14/18/210041418.db2.gz DNNWIBOTPJNDIS-UHFFFAOYSA-N 0 0 347.208 4.106 50 0 EIAARN O=C(CCSc1ccc(Cl)cc1)OCc1nc2ccccc2[nH]1 ZINC000003437628 210038838 /nfs/dbraw/zinc/03/88/38/210038838.db2.gz ACFFULKOGFEQSY-UHFFFAOYSA-N 0 0 346.839 4.442 50 0 EIAARN O=C(NC[C@@H]1CC1(Cl)Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000003423476 210036239 /nfs/dbraw/zinc/03/62/39/210036239.db2.gz CEOHLJLDAZQMNT-LURJTMIESA-N 0 0 328.026 4.309 50 0 EIAARN C[C@H]1CCc2sc(C(=O)OCC(=O)c3ccccc3F)cc2C1 ZINC000003425141 210036258 /nfs/dbraw/zinc/03/62/58/210036258.db2.gz QAFAEOVWALFZJX-NSHDSACASA-N 0 0 332.396 4.052 50 0 EIAARN Cc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000102662909 219219934 /nfs/dbraw/zinc/21/99/34/219219934.db2.gz XQGMEKZBGZRBBF-KUHUBIRLSA-N 0 0 346.390 4.245 50 0 EIAARN Cc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000102662910 219220118 /nfs/dbraw/zinc/22/01/18/219220118.db2.gz XQGMEKZBGZRBBF-IFXJQAMLSA-N 0 0 346.390 4.245 50 0 EIAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000003421019 210034703 /nfs/dbraw/zinc/03/47/03/210034703.db2.gz WTHBFYGKAPBHAB-UHFFFAOYSA-N 0 0 345.398 4.301 50 0 EIAARN CCSc1nc2n(n1)[C@H](c1ccccc1F)C1C(=O)CCCC1=N2 ZINC000102678641 219221275 /nfs/dbraw/zinc/22/12/75/219221275.db2.gz QQSDDGIXXVJPSK-OAHLLOKOSA-N 0 0 344.415 4.201 50 0 EIAARN O=C(COc1ccccc1-c1ccccc1)NCCCc1ccccc1 ZINC000003432707 210037578 /nfs/dbraw/zinc/03/75/78/210037578.db2.gz AMDOPSJBVYYFRL-UHFFFAOYSA-N 0 0 345.442 4.481 50 0 EIAARN CCSc1nc2n(n1)[C@H](c1cccc(C)c1)C1C(=O)CCCC1=N2 ZINC000102659576 219219723 /nfs/dbraw/zinc/21/97/23/219219723.db2.gz UTQBSTIGRMVZTA-MRXNPFEDSA-N 0 0 340.452 4.370 50 0 EIAARN O=C(NCc1ccco1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003426913 210036396 /nfs/dbraw/zinc/03/63/96/210036396.db2.gz OEWIRZAJRYCZDQ-UHFFFAOYSA-N 0 0 337.219 4.247 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c(C)c1 ZINC000003422987 210036450 /nfs/dbraw/zinc/03/64/50/210036450.db2.gz RQWNJQHMGWYMTF-UHFFFAOYSA-N 0 0 343.420 4.419 50 0 EIAARN Cc1ccccc1NC(=O)CNc1ccc(Br)cc1C ZINC000003399478 210028429 /nfs/dbraw/zinc/02/84/29/210028429.db2.gz SSEYSFRAYBTPJZ-UHFFFAOYSA-N 0 0 333.229 4.117 50 0 EIAARN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc21 ZINC000003396153 210026598 /nfs/dbraw/zinc/02/65/98/210026598.db2.gz SLLMZOVZIWBOCG-NSHDSACASA-N 0 0 335.234 4.383 50 0 EIAARN CCN(C(=O)COC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000003365985 210018806 /nfs/dbraw/zinc/01/88/06/210018806.db2.gz BHBREZSUXDHXHK-UHFFFAOYSA-N 0 0 333.387 4.050 50 0 EIAARN CCOc1ccc(OCCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000003359781 210017746 /nfs/dbraw/zinc/01/77/46/210017746.db2.gz HGEFOCGKJRCPFN-FQEVSTJZSA-N 0 0 339.435 4.048 50 0 EIAARN Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2C)cs1 ZINC000003354686 210016474 /nfs/dbraw/zinc/01/64/74/210016474.db2.gz LMHOWPKTWSZWQN-UHFFFAOYSA-N 0 0 336.873 4.193 50 0 EIAARN C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000003342375 210013792 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ZINC000001125614 209711888 /nfs/dbraw/zinc/71/18/88/209711888.db2.gz YDOXYWRBLKBMSV-CQSZACIVSA-N 0 0 329.415 4.207 50 0 EIAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc3ncnc(N)c32)cc1 ZINC000001016763 209700103 /nfs/dbraw/zinc/70/01/03/209700103.db2.gz HQUMALVNFSYXEG-UHFFFAOYSA-N 0 0 342.402 4.258 50 0 EIAARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccnc1 ZINC000000848946 209692240 /nfs/dbraw/zinc/69/22/40/209692240.db2.gz UBAWCCKJXLDKFU-UHFFFAOYSA-N 0 0 342.354 4.107 50 0 biogenic EIAARN Cc1ccnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000000795332 209686726 /nfs/dbraw/zinc/68/67/26/209686726.db2.gz BZGJNGPTZKFTRS-SNVBAGLBSA-N 0 0 325.195 4.103 50 0 EIAARN CC(C)N(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccncc1 ZINC000069700229 215538860 /nfs/dbraw/zinc/53/88/60/215538860.db2.gz PWRCOFMIAZXHIA-AWEZNQCLSA-N 0 0 331.847 4.416 50 0 EIAARN S=C(Nc1cccc(Cn2cc(Cl)cn2)c1)NC1CCCCC1 ZINC000000611596 209675966 /nfs/dbraw/zinc/67/59/66/209675966.db2.gz JIMHQXHOACWBKJ-UHFFFAOYSA-N 0 0 348.903 4.204 50 0 EIAARN CCOc1ccccc1Nc1cc(C(=O)OC)nc2c(C)cccc12 ZINC000038487130 213210403 /nfs/dbraw/zinc/21/04/03/213210403.db2.gz QITXDJMMYAARBI-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN CCC[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000000552560 209662183 /nfs/dbraw/zinc/66/21/83/209662183.db2.gz WJYPWBGNQXSGGQ-INIZCTEOSA-N 0 0 327.815 4.488 50 0 EIAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cccc(C)c1 ZINC000000547141 209659495 /nfs/dbraw/zinc/65/94/95/209659495.db2.gz UVCWWFZVLFZVTF-UHFFFAOYSA-N 0 0 340.354 4.044 50 0 EIAARN COc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000000547518 209659279 /nfs/dbraw/zinc/65/92/79/209659279.db2.gz YFEXDOMGVGLKSR-UHFFFAOYSA-N 0 0 327.453 4.325 50 0 EIAARN COc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000000533449 209652794 /nfs/dbraw/zinc/65/27/94/209652794.db2.gz DFWTZRRIVNVWEW-SJORKVTESA-N 0 0 340.814 4.086 50 0 EIAARN Cc1cccc(-c2nnc(SCc3c(F)cccc3Cl)n2N)c1 ZINC000000532080 209651160 /nfs/dbraw/zinc/65/11/60/209651160.db2.gz ZQLNWYDKJFNJFB-UHFFFAOYSA-N 0 0 348.834 4.052 50 0 EIAARN CC1(C)C[C@](CC(=O)N2CCCC2)(c2ccc(Cl)cc2)CCO1 ZINC000000532568 209652429 /nfs/dbraw/zinc/65/24/29/209652429.db2.gz BZLAFTCERFGMIZ-IBGZPJMESA-N 0 0 335.875 4.179 50 0 EIAARN O=c1c2ccccc2nc(-c2ccco2)n1-c1nc2ccccc2s1 ZINC000000527823 209648976 /nfs/dbraw/zinc/64/89/76/209648976.db2.gz WMPVJERGEVCOGK-UHFFFAOYSA-N 0 0 345.383 4.255 50 0 EIAARN Cc1ccc2cc(CN(C(=O)c3ccccc3)C(C)(C)C)c(=O)[nH]c2c1 ZINC000000522704 209646119 /nfs/dbraw/zinc/64/61/19/209646119.db2.gz AUCVFDXOSGAQND-UHFFFAOYSA-N 0 0 348.446 4.277 50 0 EIAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cccc3ccccc32)c1 ZINC000000509804 209640573 /nfs/dbraw/zinc/64/05/73/209640573.db2.gz HFYBFMSJGVNMCW-AWEZNQCLSA-N 0 0 335.403 4.348 50 0 EIAARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 ZINC000000503437 209638139 /nfs/dbraw/zinc/63/81/39/209638139.db2.gz HQAKKJUVFWXIKJ-SFHVURJKSA-N 0 0 345.398 4.098 50 0 EIAARN O=C(c1cc2sccc2n1Cc1cccc(F)c1)N1CCCC1 ZINC000037526141 213154386 /nfs/dbraw/zinc/15/43/86/213154386.db2.gz QYEZQRWGQMIPRW-UHFFFAOYSA-N 0 0 328.412 4.126 50 0 EIAARN CC(C)CNC(=O)c1cc2sccc2n1Cc1ccc(F)c(F)c1 ZINC000037526765 213154545 /nfs/dbraw/zinc/15/45/45/213154545.db2.gz LDIFWJCHBCDAFA-UHFFFAOYSA-N 0 0 348.418 4.415 50 0 EIAARN Cc1cc2c(cc(C(=O)NC3CC3)n2Cc2cccc(F)c2)s1 ZINC000037527124 213154201 /nfs/dbraw/zinc/15/42/01/213154201.db2.gz KGMVCXTZYCBUAH-UHFFFAOYSA-N 0 0 328.412 4.091 50 0 EIAARN CCCNC(=O)c1cc2sc(C)cc2n1Cc1ccc(F)cc1F ZINC000037541257 213153987 /nfs/dbraw/zinc/15/39/87/213153987.db2.gz HDUPGHMBCZWNNV-UHFFFAOYSA-N 0 0 348.418 4.478 50 0 EIAARN O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(Br)cc1 ZINC000037494639 213148852 /nfs/dbraw/zinc/14/88/52/213148852.db2.gz BOGJLKHJDLDULZ-UHFFFAOYSA-N 0 0 342.196 4.092 50 0 EIAARN CN(Cc1ccccc1)c1cc(Oc2ccc(F)cc2F)ncn1 ZINC000037376485 213142666 /nfs/dbraw/zinc/14/26/66/213142666.db2.gz JBKWTTNEWBTXQM-UHFFFAOYSA-N 0 0 327.334 4.184 50 0 EIAARN O=C(Nc1ccc(Cl)cn1)c1cccnc1SCC(F)(F)F ZINC000037150786 213134537 /nfs/dbraw/zinc/13/45/37/213134537.db2.gz SWHWRNHYPFHZFY-UHFFFAOYSA-N 0 0 347.749 4.037 50 0 EIAARN CN(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000000471991 209623462 /nfs/dbraw/zinc/62/34/62/209623462.db2.gz ZIHQXWBHPHTLBE-UHFFFAOYSA-N 0 0 344.414 4.308 50 0 EIAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1O2 ZINC000036705411 213111232 /nfs/dbraw/zinc/11/12/32/213111232.db2.gz QVELTDPEMWWRNH-UHFFFAOYSA-N 0 0 339.395 4.273 50 0 EIAARN CO[C@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 ZINC000000454215 209610236 /nfs/dbraw/zinc/61/02/36/209610236.db2.gz BUWMWJYAAHQHOX-HNNXBMFYSA-N 0 0 334.213 4.084 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)c2cccnc2Sc2ccccc2)C1 ZINC000036714460 213113097 /nfs/dbraw/zinc/11/30/97/213113097.db2.gz UTKSLGCZAKSYFA-GJZGRUSLSA-N 0 0 326.465 4.351 50 0 EIAARN O=C(Nc1ccccc1NC(=O)C1CCC1)c1cccc(Cl)c1 ZINC000036709606 213112844 /nfs/dbraw/zinc/11/28/44/213112844.db2.gz HWNMRDUHVDKMHQ-UHFFFAOYSA-N 0 0 328.799 4.331 50 0 EIAARN CCCc1nnsc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000036709412 213112488 /nfs/dbraw/zinc/11/24/88/213112488.db2.gz IRVPEJCEHCVQEK-UHFFFAOYSA-N 0 0 348.428 4.006 50 0 EIAARN COc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)cc1 ZINC000000456317 209611772 /nfs/dbraw/zinc/61/17/72/209611772.db2.gz VYKCRRXFKVASHV-UHFFFAOYSA-N 0 0 349.415 4.324 50 0 EIAARN COc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1 ZINC000000450963 209607914 /nfs/dbraw/zinc/60/79/14/209607914.db2.gz RIFRBBGTAIHMRC-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN Cc1ccc2nc(N(Cc3cccnc3)C(=O)C3CCC3)sc2c1 ZINC000036676227 213108952 /nfs/dbraw/zinc/10/89/52/213108952.db2.gz PCXGVINBFGPYCI-UHFFFAOYSA-N 0 0 337.448 4.333 50 0 EIAARN O=C(C1CCC1)N(Cc1cccnc1)c1nc2c(cccc2F)s1 ZINC000036676167 213108845 /nfs/dbraw/zinc/10/88/45/213108845.db2.gz HIBTXUVPBGGOMZ-UHFFFAOYSA-N 0 0 341.411 4.164 50 0 EIAARN Cc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1ccccc1 ZINC000036639294 213106727 /nfs/dbraw/zinc/10/67/27/213106727.db2.gz MCPWORWXNGTEPV-UHFFFAOYSA-N 0 0 326.396 4.434 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000036620402 213104756 /nfs/dbraw/zinc/10/47/56/213104756.db2.gz UEZWHRYTLNGCBW-QGZVFWFLSA-N 0 0 349.883 4.483 50 0 EIAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1 ZINC000036620524 213104850 /nfs/dbraw/zinc/10/48/50/213104850.db2.gz ZYUPLTORWWRSRM-IBGZPJMESA-N 0 0 347.455 4.475 50 0 EIAARN CN(C)C(=O)CCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000036565641 213100804 /nfs/dbraw/zinc/10/08/04/213100804.db2.gz ILOFAWXZZCCSOU-UHFFFAOYSA-N 0 0 345.830 4.005 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(OC(F)F)c(Cl)c1 ZINC000036394165 213095364 /nfs/dbraw/zinc/09/53/64/213095364.db2.gz GARCNQIMLDEDLE-ZWNOBZJWSA-N 0 0 346.805 4.048 50 0 EIAARN O=C1C[C@@H](c2ccc(F)cc2F)c2ncn(-c3ccccc3F)c2N1 ZINC000036366303 213090811 /nfs/dbraw/zinc/09/08/11/213090811.db2.gz YIKPRLBKOQHVEB-LBPRGKRZSA-N 0 0 343.308 4.413 50 0 EIAARN O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccccc1Cl ZINC000036365715 213090882 /nfs/dbraw/zinc/09/08/82/213090882.db2.gz UGSWLVWFZCVCQB-UHFFFAOYSA-N 0 0 339.704 4.487 50 0 EIAARN O=C1C[C@H](c2ccccc2F)c2ncn(-c3ccccc3F)c2N1 ZINC000036360196 213089974 /nfs/dbraw/zinc/08/99/74/213089974.db2.gz MIAFEQKBVIEUKX-GFCCVEGCSA-N 0 0 325.318 4.274 50 0 EIAARN O=C1C[C@@H](c2ccccc2F)c2ncn(-c3ccccc3F)c2N1 ZINC000036360195 213090011 /nfs/dbraw/zinc/09/00/11/213090011.db2.gz MIAFEQKBVIEUKX-LBPRGKRZSA-N 0 0 325.318 4.274 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036359268 213090030 /nfs/dbraw/zinc/09/00/30/213090030.db2.gz PBFMIHKGHTUHNS-OAHLLOKOSA-N 0 0 325.318 4.274 50 0 EIAARN Fc1ccc(F)c(CN2CCCn3cccc3[C@@H]2c2ccoc2)c1 ZINC000036348290 213085050 /nfs/dbraw/zinc/08/50/50/213085050.db2.gz BKRLFOJJXGEEJO-IBGZPJMESA-N 0 0 328.362 4.355 50 0 EIAARN CC(C)c1nnc2n1N1C(=CS[C@@H]1c1c[nH]c3ccccc31)S2 ZINC000036353250 213088150 /nfs/dbraw/zinc/08/81/50/213088150.db2.gz ODCBUFNOPDCCGV-OAHLLOKOSA-N 0 0 341.465 4.171 50 0 EIAARN O=C1C[C@@H](c2cc(F)ccc2F)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036352621 213088185 /nfs/dbraw/zinc/08/81/85/213088185.db2.gz CXNUOSYINZSJKF-AWEZNQCLSA-N 0 0 343.308 4.413 50 0 EIAARN O=C(Nc1ccccc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 ZINC000036315856 213084263 /nfs/dbraw/zinc/08/42/63/213084263.db2.gz RHKTVJCTAYOYTK-INIZCTEOSA-N 0 0 346.377 4.178 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](OCc3ccc(F)cc3F)C2)cc1 ZINC000036315049 213082913 /nfs/dbraw/zinc/08/29/13/213082913.db2.gz KGOIQZOCACUUIX-GOSISDBHSA-N 0 0 345.389 4.095 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@@H](OCc3ccc(F)c(F)c3)C2)c1 ZINC000036315139 213082951 /nfs/dbraw/zinc/08/29/51/213082951.db2.gz MHLGYRAOXLGTEB-QGZVFWFLSA-N 0 0 345.389 4.095 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c1CO2 ZINC000036145999 213072951 /nfs/dbraw/zinc/07/29/51/213072951.db2.gz CXPYDUGMWHDYSS-DVOMOZLQSA-N 0 0 340.423 4.097 50 0 EIAARN O[C@@H](Cc1ccccc1)CN(Cc1ccco1)Cc1ccccc1F ZINC000036102970 213066670 /nfs/dbraw/zinc/06/66/70/213066670.db2.gz PYJNKBVOAHIUGV-IBGZPJMESA-N 0 0 339.410 4.025 50 0 EIAARN Oc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000035615918 213042149 /nfs/dbraw/zinc/04/21/49/213042149.db2.gz SDOUZDLVDYISOW-UHFFFAOYSA-N 0 0 345.358 4.179 50 0 EIAARN O=C(Nc1cccc(Cl)c1)Nc1ccc(Br)cn1 ZINC000000444817 209603580 /nfs/dbraw/zinc/60/35/80/209603580.db2.gz QCSNJDJZRVPEKE-UHFFFAOYSA-N 0 0 326.581 4.142 50 0 EIAARN CCOCCCNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000035561732 213038623 /nfs/dbraw/zinc/03/86/23/213038623.db2.gz RONHMAVPGQDEBI-KRWDZBQOSA-N 0 0 338.879 4.393 50 0 EIAARN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NC2CCCCC2)o1 ZINC000035503569 213033982 /nfs/dbraw/zinc/03/39/82/213033982.db2.gz WNFJTFDEUMNCQR-UHFFFAOYSA-N 0 0 339.395 4.162 50 0 EIAARN Cn1nc(C(=O)NC2CCCC2)c2c1-c1cc(Cl)ccc1SC2 ZINC000035506691 213033875 /nfs/dbraw/zinc/03/38/75/213033875.db2.gz KZSYFQZKTJXEQP-UHFFFAOYSA-N 0 0 347.871 4.019 50 0 EIAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(F)cc1F ZINC000035536089 213036548 /nfs/dbraw/zinc/03/65/48/213036548.db2.gz LVYIDRKDHXNVCW-UHFFFAOYSA-N 0 0 332.281 4.320 50 0 EIAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(Cl)cc1 ZINC000035536087 213036120 /nfs/dbraw/zinc/03/61/20/213036120.db2.gz HSCSWMOTRRWSNQ-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)no1 ZINC000035511383 213035653 /nfs/dbraw/zinc/03/56/53/213035653.db2.gz RMUKNILPXSKSCR-HNNXBMFYSA-N 0 0 335.354 4.445 50 0 EIAARN COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000035476540 213031547 /nfs/dbraw/zinc/03/15/47/213031547.db2.gz IWBDVFYFWQCZLU-AWEZNQCLSA-N 0 0 348.399 4.043 50 0 EIAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000035476424 213031259 /nfs/dbraw/zinc/03/12/59/213031259.db2.gz YMLZPLVWQFPJLC-LJQANCHMSA-N 0 0 343.492 4.446 50 0 EIAARN Clc1ccccc1Cc1nnc2sc(-c3cccs3)nn12 ZINC000071281982 215751949 /nfs/dbraw/zinc/75/19/49/215751949.db2.gz PWXQMUFZJPATHM-UHFFFAOYSA-N 0 0 332.841 4.159 50 0 EIAARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccccc1F ZINC000000430336 209596684 /nfs/dbraw/zinc/59/66/84/209596684.db2.gz JEPJNICHRJMLER-ZSOIEALJSA-N 0 0 336.149 4.477 50 0 EIAARN Cc1nc2c(c(NC(=O)CCC3CCCC3)nn2C)c(C)c1Cl ZINC000035327581 213021728 /nfs/dbraw/zinc/02/17/28/213021728.db2.gz ARXKWKJSYIVKNR-UHFFFAOYSA-N 0 0 334.851 4.147 50 0 EIAARN COc1ccc2nc3oc(C(=O)Nc4ccc(F)cc4)cc3cc2c1 ZINC000000429088 209594915 /nfs/dbraw/zinc/59/49/15/209594915.db2.gz IYDFLVFWFLQZGL-UHFFFAOYSA-N 0 0 336.322 4.381 50 0 EIAARN Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(F)cc3)nn2C)c(C)c1 ZINC000034901518 212994752 /nfs/dbraw/zinc/99/47/52/212994752.db2.gz SEFOMYWHDLJILR-UHFFFAOYSA-N 0 0 337.398 4.404 50 0 EIAARN Cc1cccc(-c2nnc3c4ccccc4nc(NCC4CC4)n23)c1 ZINC000034699948 212983299 /nfs/dbraw/zinc/98/32/99/212983299.db2.gz DRMIDLFRWNDJML-UHFFFAOYSA-N 0 0 329.407 4.075 50 0 EIAARN Cc1cccc(C(C)(C)C)c1NC(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000071738399 215800341 /nfs/dbraw/zinc/80/03/41/215800341.db2.gz DEGBGQGUOLEGMK-ZDUSSCGKSA-N 0 0 344.377 4.088 50 0 EIAARN COc1ccc(N2C(=O)[C@H](Oc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000033982470 212972471 /nfs/dbraw/zinc/97/24/71/212972471.db2.gz VTBTYCBTXHLXDZ-NHCUHLMSSA-N 0 0 345.398 4.231 50 0 EIAARN CNC(=O)N(C)C(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C ZINC000071770110 215822603 /nfs/dbraw/zinc/82/26/03/215822603.db2.gz BTIMQHBTUQQPGY-UHFFFAOYSA-N 0 0 334.460 4.360 50 0 EIAARN c1csc(-c2ncc(-c3nccn3CC[C@@H]3CCCCO3)cn2)c1 ZINC000071771727 215823952 /nfs/dbraw/zinc/82/39/52/215823952.db2.gz FPCWXRLXZDKQAT-HNNXBMFYSA-N 0 0 340.452 4.028 50 0 EIAARN Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2)c(C)c1 ZINC000000427344 209592157 /nfs/dbraw/zinc/59/21/57/209592157.db2.gz JBJMUURIEPTEDV-UHFFFAOYSA-N 0 0 337.448 4.220 50 0 EIAARN CN(C)c1ccc(NC(=O)/C=C\c2ccc(Br)cc2)cc1 ZINC000033311096 212921011 /nfs/dbraw/zinc/92/10/11/212921011.db2.gz RDGJZFZZRWINKL-XGICHPGQSA-N 0 0 345.240 4.167 50 0 EIAARN COc1ccc(NC(=O)c2c(C)sc3c(C)c(C)[nH]c32)cc1OC ZINC000033280460 212915110 /nfs/dbraw/zinc/91/51/10/212915110.db2.gz PELIKTZIUVNNJO-UHFFFAOYSA-N 0 0 344.436 4.424 50 0 EIAARN CCc1nc(-c2ccc(NC(=O)NCCC3=CCCCC3)cc2)no1 ZINC000033257322 212911170 /nfs/dbraw/zinc/91/11/70/212911170.db2.gz DIGSGBRRSZGVID-UHFFFAOYSA-N 0 0 340.427 4.311 50 0 EIAARN CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000033257188 212910515 /nfs/dbraw/zinc/91/05/15/212910515.db2.gz ILBOEQBUBGYUMR-UHFFFAOYSA-N 0 0 340.358 4.073 50 0 EIAARN CCc1cc2c(ncnc2N(C)c2ccc(OC)cc2OC)s1 ZINC000033078201 212896199 /nfs/dbraw/zinc/89/61/99/212896199.db2.gz AOKYIQORTHNPBO-UHFFFAOYSA-N 0 0 329.425 4.039 50 0 EIAARN O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccc(=O)[nH]c1 ZINC000032983176 212884302 /nfs/dbraw/zinc/88/43/02/212884302.db2.gz IXNONQCONQESNW-UHFFFAOYSA-N 0 0 330.343 4.040 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000071884579 215921158 /nfs/dbraw/zinc/92/11/58/215921158.db2.gz PWIAJYBPEDUJFE-CVEARBPZSA-N 0 0 331.847 4.476 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000071884584 215921366 /nfs/dbraw/zinc/92/13/66/215921366.db2.gz PWIAJYBPEDUJFE-HOTGVXAUSA-N 0 0 331.847 4.476 50 0 EIAARN CC(C)[C@H](C(=O)Nc1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1 ZINC000032901850 212865101 /nfs/dbraw/zinc/86/51/01/212865101.db2.gz GJRJQZVVXQTQOX-INIZCTEOSA-N 0 0 345.830 4.209 50 0 EIAARN O=C(OCCOc1ccc(Cl)cc1)c1cccc2ncccc21 ZINC000032872080 212859909 /nfs/dbraw/zinc/85/99/09/212859909.db2.gz ZXNUAVIHTCDGQJ-UHFFFAOYSA-N 0 0 327.767 4.124 50 0 EIAARN COc1ccccc1[C@H](C)NC(=O)CS[C@H](C)c1ccccc1 ZINC000032909443 212868567 /nfs/dbraw/zinc/86/85/67/212868567.db2.gz PDJZLTZEXSJHCN-LSDHHAIUSA-N 0 0 329.465 4.367 50 0 EIAARN O=C(Nc1ccccn1)c1csc(COc2ccc(Cl)cc2)n1 ZINC000032906889 212867583 /nfs/dbraw/zinc/86/75/83/212867583.db2.gz DHSJPEYFYCVPDU-UHFFFAOYSA-N 0 0 345.811 4.023 50 0 EIAARN CCCCCC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000071908141 215950202 /nfs/dbraw/zinc/95/02/02/215950202.db2.gz LYAIKWMZJWZVCC-UHFFFAOYSA-N 0 0 341.373 4.106 50 0 EIAARN C[C@@H](NC(=O)/C=C/c1cccs1)c1cccc(Br)c1 ZINC000032796357 212844562 /nfs/dbraw/zinc/84/45/62/212844562.db2.gz KRJSVNGHNQFKFP-WSKFYRRCSA-N 0 0 336.254 4.401 50 0 EIAARN O=C(Nc1ccc(-c2cncnc2)cc1)c1nc(Cl)ccc1Cl ZINC000071910446 215955468 /nfs/dbraw/zinc/95/54/68/215955468.db2.gz RGDKGNVPGIGDHI-UHFFFAOYSA-N 0 0 345.189 4.098 50 0 EIAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc(F)cc1F ZINC000032788689 212842913 /nfs/dbraw/zinc/84/29/13/212842913.db2.gz JYUVYLBWOGRKGD-UHFFFAOYSA-N 0 0 331.347 4.065 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2nc3ccccc3nc2N2CCCC2)c1 ZINC000032642830 212821423 /nfs/dbraw/zinc/82/14/23/212821423.db2.gz SLDPHSFGUCDNIK-UHFFFAOYSA-N 0 0 346.434 4.099 50 0 EIAARN O=C(Cc1csc(Cc2ccccc2)n1)NCCC1=CCCCC1 ZINC000032709620 212828020 /nfs/dbraw/zinc/82/80/20/212828020.db2.gz VWMLSYIZPPTOGP-UHFFFAOYSA-N 0 0 340.492 4.283 50 0 EIAARN COc1ccccc1-c1nnc(SCc2cccc(N(C)C)c2)o1 ZINC000071921910 215970729 /nfs/dbraw/zinc/97/07/29/215970729.db2.gz QBJNUUGSSIZMJI-UHFFFAOYSA-N 0 0 341.436 4.104 50 0 EIAARN CCc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)no1 ZINC000035539630 213037514 /nfs/dbraw/zinc/03/75/14/213037514.db2.gz HERYIYUATNKBOJ-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000072045115 215997953 /nfs/dbraw/zinc/99/79/53/215997953.db2.gz YEYLITBABVPTKD-RLFYNMQTSA-N 0 0 339.483 4.472 50 0 EIAARN CC1CCN(C(=O)c2ccccc2NC(=O)CC2CCCC2)CC1 ZINC000072117609 216012085 /nfs/dbraw/zinc/01/20/85/216012085.db2.gz FEYSDFXGOXEFMC-UHFFFAOYSA-N 0 0 328.456 4.078 50 0 EIAARN CC(C)n1ccnc1-c1cc(NCc2ccncc2)nc2[nH]ccc21 ZINC000072125599 216016173 /nfs/dbraw/zinc/01/61/73/216016173.db2.gz FWFUAONRAOAYFA-UHFFFAOYSA-N 0 0 332.411 4.014 50 0 EIAARN Cc1cccc(Cl)c1NC(=O)N1CCCC[C@@H]1CCn1ccnc1 ZINC000072147118 216033617 /nfs/dbraw/zinc/03/36/17/216033617.db2.gz ROUYCCWZLPFMQB-OAHLLOKOSA-N 0 0 346.862 4.322 50 0 EIAARN CCO[P@@](C)(=O)[C@H](C(N)=O)c1csc2ccc(Cl)cc21 ZINC000036377910 213091577 /nfs/dbraw/zinc/09/15/77/213091577.db2.gz VGOZVZRZLDCLIO-HXPMCKFVSA-N 0 0 331.761 4.026 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@@H](OCc3cc(F)ccc3F)C2)c1 ZINC000036315539 213084314 /nfs/dbraw/zinc/08/43/14/213084314.db2.gz LLLFBUXOEXAZCH-GOSISDBHSA-N 0 0 345.389 4.095 50 0 EIAARN CC(=O)Nc1ccc(-c2nccn2-c2cnc3ccccc3c2)cc1 ZINC000072148521 216035360 /nfs/dbraw/zinc/03/53/60/216035360.db2.gz OSUUYOLFOCERDI-UHFFFAOYSA-N 0 0 328.375 4.046 50 0 EIAARN COc1ccccc1-c1nccn1[C@@H](C)c1ccccc1-n1cccn1 ZINC000072165810 216053967 /nfs/dbraw/zinc/05/39/67/216053967.db2.gz JDQJKXNTOZWAEG-INIZCTEOSA-N 0 0 344.418 4.354 50 0 EIAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c1 ZINC000031820645 212750616 /nfs/dbraw/zinc/75/06/16/212750616.db2.gz BRSIUQRXYZSBRV-MRXNPFEDSA-N 0 0 349.390 4.013 50 0 EIAARN Cc1[nH]nc(C2CC2)c1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072169657 216061082 /nfs/dbraw/zinc/06/10/82/216061082.db2.gz INUPOPMPCBDBOQ-UHFFFAOYSA-N 0 0 344.422 4.146 50 0 EIAARN CCOC(=O)c1ccc(Oc2ccc(C=O)c(Br)c2)cc1 ZINC000072191271 216068321 /nfs/dbraw/zinc/06/83/21/216068321.db2.gz ZETWHASWJSGZSB-UHFFFAOYSA-N 0 0 349.180 4.231 50 0 EIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(Cl)cc3)n[nH]2)cc1C ZINC000072238552 216078066 /nfs/dbraw/zinc/07/80/66/216078066.db2.gz RMUFNFFGQBIKQG-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)o1 ZINC000072264659 216085767 /nfs/dbraw/zinc/08/57/67/216085767.db2.gz RYLYOOTXGDLDTO-UHFFFAOYSA-N 0 0 346.430 4.217 50 0 EIAARN COc1ccc(-c2csc(CNC(=O)Nc3ccccc3)n2)cc1 ZINC000072264901 216086268 /nfs/dbraw/zinc/08/62/68/216086268.db2.gz JIEWLLZDKIXSHI-UHFFFAOYSA-N 0 0 339.420 4.140 50 0 EIAARN CCOc1ccccc1CCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000072272090 216095549 /nfs/dbraw/zinc/09/55/49/216095549.db2.gz OMOVRSCEOKLQMR-INIZCTEOSA-N 0 0 344.480 4.228 50 0 EIAARN O=C(Nc1cccc(-c2cnco2)c1)c1sccc1OC(F)F ZINC000072272592 216095984 /nfs/dbraw/zinc/09/59/84/216095984.db2.gz LUUWCWSUSZWIJM-UHFFFAOYSA-N 0 0 336.319 4.257 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CCOc3ccccc32)n1 ZINC000072273927 216097084 /nfs/dbraw/zinc/09/70/84/216097084.db2.gz KWONDEAZSHVOEP-HOTGVXAUSA-N 0 0 342.464 4.071 50 0 EIAARN Clc1cccc(Cl)c1-n1cnnc1-c1nc2ccccc2[nH]1 ZINC000000401000 209570137 /nfs/dbraw/zinc/57/01/37/209570137.db2.gz HXFOJQXUFHHYGQ-UHFFFAOYSA-N 0 0 330.178 4.117 50 0 EIAARN COC(=O)C1C(C)=Nc2nc3cc(C)c(C)cc3n2[C@H]1c1ccccc1 ZINC000000386933 209565405 /nfs/dbraw/zinc/56/54/05/209565405.db2.gz YZIVVMJSQLJZNQ-IBGZPJMESA-N 0 0 347.418 4.115 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000000385349 209564002 /nfs/dbraw/zinc/56/40/02/209564002.db2.gz IWBKIEHJTOMMJE-ZDUSSCGKSA-N 0 0 339.826 4.325 50 0 EIAARN CCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 ZINC000000387898 209566391 /nfs/dbraw/zinc/56/63/91/209566391.db2.gz IPLOREVSMMOYCO-UHFFFAOYSA-N 0 0 331.799 4.316 50 0 EIAARN CC(C)C(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000000372438 209557346 /nfs/dbraw/zinc/55/73/46/209557346.db2.gz OIIBFJAJAMBYAW-LLVKDONJSA-N 0 0 344.069 4.220 50 0 EIAARN O=C(N[C@@H]1Sc2ccccc2N=C1c1ccccc1)c1ccco1 ZINC000000373906 209556958 /nfs/dbraw/zinc/55/69/58/209556958.db2.gz PWZDPVKOKZGYAB-LJQANCHMSA-N 0 0 334.400 4.262 50 0 EIAARN CC(=O)Nc1cc(NC(=O)Nc2cccc(Cl)c2F)ccc1C ZINC000072282511 216112388 /nfs/dbraw/zinc/11/23/88/216112388.db2.gz MIRGDPUMZDCWON-UHFFFAOYSA-N 0 0 335.766 4.390 50 0 EIAARN COc1cccc(C(=O)NN2c3ccccc3CCc3ccccc32)c1 ZINC000000348149 209544356 /nfs/dbraw/zinc/54/43/56/209544356.db2.gz DVHRTOBMYARQBH-UHFFFAOYSA-N 0 0 344.414 4.277 50 0 aggregator EIAARN CCOc1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000000318886 209534991 /nfs/dbraw/zinc/53/49/91/209534991.db2.gz OUJDNJCBABZZNY-UHFFFAOYSA-N 0 0 333.815 4.373 50 0 EIAARN Cc1c(C[S@@](C)=O)cccc1NC(=O)CC(C)(C)c1ccccc1 ZINC000072286764 216117776 /nfs/dbraw/zinc/11/77/76/216117776.db2.gz GCTWSGYXYOSXGZ-DEOSSOPVSA-N 0 0 343.492 4.180 50 0 EIAARN Cc1c(C[S@](C)=O)cccc1NC(=O)CC(C)(C)c1ccccc1 ZINC000072286763 216118272 /nfs/dbraw/zinc/11/82/72/216118272.db2.gz GCTWSGYXYOSXGZ-XMMPIXPASA-N 0 0 343.492 4.180 50 0 EIAARN O=C(C1CCC1)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000072288563 216121300 /nfs/dbraw/zinc/12/13/00/216121300.db2.gz ASBGUMDHWOIDRI-INIZCTEOSA-N 0 0 329.831 4.194 50 0 EIAARN CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1 ZINC000000279984 209516355 /nfs/dbraw/zinc/51/63/55/209516355.db2.gz WHKUIROSKGQCLP-LLVKDONJSA-N 0 0 333.438 4.102 50 0 EIAARN c1ccc2sc([C@@H]3CCCCN3Cc3nc(C4CC4)no3)nc2c1 ZINC000029431821 212665759 /nfs/dbraw/zinc/66/57/59/212665759.db2.gz VKUFFMOPIZZHNJ-AWEZNQCLSA-N 0 0 340.452 4.284 50 0 EIAARN CC(C)c1csc([C@H]2CCCN(C(=O)CCc3ccco3)C2)n1 ZINC000072297268 216135227 /nfs/dbraw/zinc/13/52/27/216135227.db2.gz QEEZDNVGCUURBQ-AWEZNQCLSA-N 0 0 332.469 4.198 50 0 EIAARN COc1cccc(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c1 ZINC000000245502 209502057 /nfs/dbraw/zinc/50/20/57/209502057.db2.gz SHPZHHAURBLNRY-UHFFFAOYSA-N 0 0 343.386 4.262 50 0 EIAARN Cc1ccc2c(ccn2CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000072325941 216152824 /nfs/dbraw/zinc/15/28/24/216152824.db2.gz YCEDPUZLMKERJK-UHFFFAOYSA-N 0 0 343.430 4.016 50 0 biogenic EIAARN CCc1ccc(CNC(=O)c2c[nH]nc2-c2ccc(CC)cc2)cc1 ZINC000072329153 216153567 /nfs/dbraw/zinc/15/35/67/216153567.db2.gz BZSIAEMAWXIFGZ-UHFFFAOYSA-N 0 0 333.435 4.132 50 0 EIAARN Cc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(F)cc2Cl)cc1 ZINC000072328936 216154270 /nfs/dbraw/zinc/15/42/70/216154270.db2.gz GISYBRCGYUVYOT-UHFFFAOYSA-N 0 0 343.789 4.108 50 0 EIAARN Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000072331199 216155221 /nfs/dbraw/zinc/15/52/21/216155221.db2.gz BYIPYQYEDLYBFG-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCc1ccccc1C(F)(F)F ZINC000072331739 216155253 /nfs/dbraw/zinc/15/52/53/216155253.db2.gz WXPFAWOSTJIKGI-UHFFFAOYSA-N 0 0 343.732 4.297 50 0 EIAARN COc1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000000240191 209499067 /nfs/dbraw/zinc/49/90/67/209499067.db2.gz JDYXFMUXYCXJMQ-QGZVFWFLSA-N 0 0 327.453 4.014 50 0 biogenic EIAARN CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ncccc31)O2 ZINC000000235652 209498456 /nfs/dbraw/zinc/49/84/56/209498456.db2.gz YVUNNZGWXFMUMF-OAQYLSRUSA-N 0 0 329.403 4.453 50 0 biogenic EIAARN CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c(=O)c2ccc(C)nc21 ZINC000000215447 209489949 /nfs/dbraw/zinc/48/99/49/209489949.db2.gz DXKSJLJNCWEQKB-UHFFFAOYSA-N 0 0 349.434 4.101 50 0 EIAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000000222204 209494598 /nfs/dbraw/zinc/49/45/98/209494598.db2.gz FDNWTGCGATUOIG-DLBZAZTESA-N 0 0 340.814 4.086 50 0 EIAARN Clc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 ZINC000000222332 209494213 /nfs/dbraw/zinc/49/42/13/209494213.db2.gz CRWSCNNBAURXLK-GJZGRUSLSA-N 0 0 346.221 4.126 50 0 EIAARN CCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(F)cc1 ZINC000000214035 209487993 /nfs/dbraw/zinc/48/79/93/209487993.db2.gz NQQQKCZJZYXFEW-UHFFFAOYSA-N 0 0 339.395 4.118 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000000198819 209479508 /nfs/dbraw/zinc/47/95/08/209479508.db2.gz XGEMUEOASDGSMK-UHFFFAOYSA-N 0 0 344.414 4.049 50 0 EIAARN Cc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1C ZINC000000189447 209472623 /nfs/dbraw/zinc/47/26/23/209472623.db2.gz UJAKPGKDDYKRCY-UHFFFAOYSA-N 0 0 329.469 4.254 50 0 EIAARN CCSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000000176184 209464571 /nfs/dbraw/zinc/46/45/71/209464571.db2.gz PDZUAWIKNFAEES-UHFFFAOYSA-N 0 0 334.253 4.209 50 0 EIAARN Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccccc1 ZINC000000179415 209467180 /nfs/dbraw/zinc/46/71/80/209467180.db2.gz BVWOMQFEGADHEX-UHFFFAOYSA-N 0 0 326.396 4.479 50 0 EIAARN COC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000166305 209460199 /nfs/dbraw/zinc/46/01/99/209460199.db2.gz QMSWRFVDAZACNC-UHFFFAOYSA-N 0 0 331.677 4.333 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=S)Nc1cc(C)ccn1 ZINC000000160369 209459609 /nfs/dbraw/zinc/45/96/09/209459609.db2.gz XHXVUAAOZICEBY-UHFFFAOYSA-N 0 0 349.481 4.054 50 0 EIAARN Cc1cc(C)n(-c2cccc(C(=O)Nc3cccc4c3ccn4C)c2)n1 ZINC000072403241 216195211 /nfs/dbraw/zinc/19/52/11/216195211.db2.gz LANYPHXEQGKBKW-UHFFFAOYSA-N 0 0 344.418 4.233 50 0 EIAARN O=C1C[C@H](c2cc(Cl)ccc2F)c2cnn(Cc3ccco3)c2N1 ZINC000072403575 216195359 /nfs/dbraw/zinc/19/53/59/216195359.db2.gz XVQPJOUOQQCHRP-GFCCVEGCSA-N 0 0 345.761 4.441 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2Cl)c2cnn(Cc3ccco3)c2N1 ZINC000072405187 216195570 /nfs/dbraw/zinc/19/55/70/216195570.db2.gz WNSFYDMIFAYQDL-CYBMUJFWSA-N 0 0 345.761 4.441 50 0 EIAARN O=C1C[C@@H](c2ccccc2F)c2cnn(Cc3cccs3)c2N1 ZINC000072406503 216196719 /nfs/dbraw/zinc/19/67/19/216196719.db2.gz HRYHHOIGXMKDDA-ZDUSSCGKSA-N 0 0 327.384 4.256 50 0 EIAARN CCOc1ccccc1OCC(=O)Nc1c(CC)cccc1CC ZINC000000145185 209449180 /nfs/dbraw/zinc/44/91/80/209449180.db2.gz PCFMFVWAKSSVFL-UHFFFAOYSA-N 0 0 327.424 4.228 50 0 EIAARN Cc1ccc(NC(=O)COc2ccccc2Br)cc1C ZINC000000141182 209445970 /nfs/dbraw/zinc/44/59/70/209445970.db2.gz SYHTYAFSZQYSSQ-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Cc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(Cl)c2)C1=O ZINC000000138013 209444994 /nfs/dbraw/zinc/44/49/94/209444994.db2.gz BJMDJOXVPRIEFY-UHFFFAOYSA-N 0 0 347.201 4.084 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1C ZINC000000118175 209432754 /nfs/dbraw/zinc/43/27/54/209432754.db2.gz JODRLYVMTAVSFY-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN CC[C@@H](Nc1cc(-c2ccccc2F)nc2ccnn21)c1cccnc1 ZINC000072409827 216201024 /nfs/dbraw/zinc/20/10/24/216201024.db2.gz SQKXZTYVVAUAJV-QGZVFWFLSA-N 0 0 347.397 4.494 50 0 EIAARN Cc1nc(C)c(C(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)s1 ZINC000072405725 216197430 /nfs/dbraw/zinc/19/74/30/216197430.db2.gz GSTBXDDLWGZOKT-UHFFFAOYSA-N 0 0 328.441 4.022 50 0 EIAARN Cc1cc([C@H]2CCCCN2Cc2ccc(CCC(C)(C)O)cc2)no1 ZINC000072407269 216198237 /nfs/dbraw/zinc/19/82/37/216198237.db2.gz KISMLFZUSWHZRG-HXUWFJFHSA-N 0 0 342.483 4.414 50 0 EIAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C)c3C)C2=O)cc1 ZINC000000121632 209435208 /nfs/dbraw/zinc/43/52/08/209435208.db2.gz QIYCKIAOSKFGTP-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN COc1ccc([C@@H]2c3ccsc3CCN2C(=O)C(C)(C)C)cc1 ZINC000000107381 209425078 /nfs/dbraw/zinc/42/50/78/209425078.db2.gz ISZOAHZSPMSAAY-QGZVFWFLSA-N 0 0 329.465 4.277 50 0 EIAARN Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccccc3C)C2=O)c1C ZINC000000101428 209420501 /nfs/dbraw/zinc/42/05/01/209420501.db2.gz PEDZJJNTPPKBOR-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN O=C1CS[C@@H](c2cccnc2)N1c1cc(Cl)cc(Cl)c1 ZINC000000099467 209420233 /nfs/dbraw/zinc/42/02/33/209420233.db2.gz KMIGEZOZLGPHIZ-AWEZNQCLSA-N 0 0 325.220 4.167 50 0 EIAARN Cc1cc2nc(C(C)C)cc(N(C)Cc3cccc4cnccc43)n2n1 ZINC000072410351 216203162 /nfs/dbraw/zinc/20/31/62/216203162.db2.gz BZPOHVCVGZQXEP-UHFFFAOYSA-N 0 0 345.450 4.346 50 0 EIAARN O=c1c2c3c(sc2ncn1Cc1cccc(Cl)c1)CCCC3 ZINC000000098333 209419147 /nfs/dbraw/zinc/41/91/47/209419147.db2.gz SLLZZRTZGQXESY-UHFFFAOYSA-N 0 0 330.840 4.039 50 0 EIAARN Cc1ccc2nsnc2c1NC(=O)c1cccc(Br)c1 ZINC000000097743 209418723 /nfs/dbraw/zinc/41/87/23/209418723.db2.gz AXSJRQYHSVHUEF-UHFFFAOYSA-N 0 0 348.225 4.015 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2)Sc2nc(-c3ccc(F)cc3)nn21 ZINC000000079107 209405796 /nfs/dbraw/zinc/40/57/96/209405796.db2.gz OCHJQRYEZZVSGC-CQSZACIVSA-N 0 0 343.358 4.101 50 0 EIAARN CC(C)c1ccc(-c2c3c(nc4ncnn42)-c2ccccc2C3=O)cc1 ZINC000000098800 209418539 /nfs/dbraw/zinc/41/85/39/209418539.db2.gz PDZLSGLMGQSDCJ-UHFFFAOYSA-N 0 0 340.386 4.126 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCC2 ZINC000000098191 209418396 /nfs/dbraw/zinc/41/83/96/209418396.db2.gz XCSWZLAAVVFVNO-UHFFFAOYSA-N 0 0 343.448 4.283 50 0 EIAARN CCCN(Cc1ccccc1)C(=O)Nc1ccc2snnc2c1 ZINC000000094971 209416040 /nfs/dbraw/zinc/41/60/40/209416040.db2.gz DQLXJRPIZQWICY-UHFFFAOYSA-N 0 0 326.425 4.135 50 0 EIAARN Cc1ccc2[nH]c(SCc3cn4cc(Cl)ccc4n3)nc2c1 ZINC000000091584 209415424 /nfs/dbraw/zinc/41/54/24/209415424.db2.gz GUWITIPMHCIFKB-UHFFFAOYSA-N 0 0 328.828 4.465 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000000089561 209412155 /nfs/dbraw/zinc/41/21/55/209412155.db2.gz ULFXUQARNWBNLJ-GJZGRUSLSA-N 0 0 343.448 4.284 50 0 EIAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccnc2)c1 ZINC000000086980 209410775 /nfs/dbraw/zinc/41/07/75/209410775.db2.gz AGMJZQSFAMHYAU-APWZRJJASA-N 0 0 333.416 4.385 50 0 EIAARN CCc1ccc(OCc2ccc(C(=O)N3CCCCCC3)o2)cc1 ZINC000028235692 212609155 /nfs/dbraw/zinc/60/91/55/212609155.db2.gz MYVSEGOLTURZES-UHFFFAOYSA-N 0 0 327.424 4.437 50 0 EIAARN Cc1ccccc1-c1cc(C(=O)NC[C@H]2CCCO2)c2ccccc2n1 ZINC000000068284 209399944 /nfs/dbraw/zinc/39/99/44/209399944.db2.gz PWVLWJGEZIMKGP-MRXNPFEDSA-N 0 0 346.430 4.119 50 0 EIAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000000070098 209399293 /nfs/dbraw/zinc/39/92/93/209399293.db2.gz AYNNISGPRVOKQV-LJQANCHMSA-N 0 0 334.375 4.055 50 0 EIAARN CCOC(=O)c1sc2c(c1NC(=O)c1ccccc1C)CCCC2 ZINC000000062764 209395889 /nfs/dbraw/zinc/39/58/89/209395889.db2.gz PTGAKNOKAZMLFM-UHFFFAOYSA-N 0 0 343.448 4.364 50 0 EIAARN COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000053053 209391998 /nfs/dbraw/zinc/39/19/98/209391998.db2.gz QWQABDQXMSDRSZ-DGCLKSJQSA-N 0 0 342.222 4.003 50 0 EIAARN CN1C(=O)CC[C@@H]1Cn1ccnc1-c1cccc2c3ccccc3oc21 ZINC000072426304 216216471 /nfs/dbraw/zinc/21/64/71/216216471.db2.gz UEAFLZXAECRLLQ-CQSZACIVSA-N 0 0 345.402 4.070 50 0 EIAARN O=C(Nc1nc2ccc(Br)cc2s1)c1cccs1 ZINC000000106524 209423704 /nfs/dbraw/zinc/42/37/04/209423704.db2.gz PBTDVLHIEJPHGQ-UHFFFAOYSA-N 0 0 339.239 4.373 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Oc3ccc(C)nn3)cc2)c(C)c1 ZINC000072437853 216231964 /nfs/dbraw/zinc/23/19/64/216231964.db2.gz NLYPSEGCDDHDBY-UHFFFAOYSA-N 0 0 333.391 4.446 50 0 EIAARN CCc1ccc(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000027989963 212592669 /nfs/dbraw/zinc/59/26/69/212592669.db2.gz XYIAWJPTJFRIPR-UHFFFAOYSA-N 0 0 340.354 4.061 50 0 EIAARN Cc1ccc(Oc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)nn1 ZINC000072442337 216235239 /nfs/dbraw/zinc/23/52/39/216235239.db2.gz XEBFOOKQRZOHAE-OAHLLOKOSA-N 0 0 333.391 4.068 50 0 EIAARN Cc1cc2nc(-c3ccccc3)cc(N[C@@H](C)Cc3cccnc3)n2n1 ZINC000072479845 216259724 /nfs/dbraw/zinc/25/97/24/216259724.db2.gz VJNXIPPIGOOZRH-HNNXBMFYSA-N 0 0 343.434 4.143 50 0 EIAARN CN(Cc1nc(-c2ccsc2)no1)Cc1nc2ccccc2s1 ZINC000027404553 212556095 /nfs/dbraw/zinc/55/60/95/212556095.db2.gz CNTJRVPVHAIMLE-UHFFFAOYSA-N 0 0 342.449 4.040 50 0 EIAARN COc1ccc(CNC(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1 ZINC000027351643 212554300 /nfs/dbraw/zinc/55/43/00/212554300.db2.gz OGEJZQYWLCLTQS-UHFFFAOYSA-N 0 0 339.395 4.282 50 0 EIAARN CC[C@@H](NC(=O)Cc1ccccc1OC)c1ccccc1OC(F)F ZINC000027353080 212554341 /nfs/dbraw/zinc/55/43/41/212554341.db2.gz UPSGSRWGLXBUBM-OAHLLOKOSA-N 0 0 349.377 4.107 50 0 EIAARN Cc1ccc(OCCNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000025949009 212502453 /nfs/dbraw/zinc/50/24/53/212502453.db2.gz OQHFMELWGXSMBH-INIZCTEOSA-N 0 0 344.430 4.224 50 0 EIAARN Cc1c(C(=O)N(C)[C@H](C)c2ccccc2)cnn1-c1ccccc1F ZINC000025616927 212490820 /nfs/dbraw/zinc/49/08/20/212490820.db2.gz ZWDRYYRFMZKNDS-CQSZACIVSA-N 0 0 337.398 4.153 50 0 EIAARN COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000025494076 212484562 /nfs/dbraw/zinc/48/45/62/212484562.db2.gz ITTAHOJBRRQVPK-UHFFFAOYSA-N 0 0 329.827 4.039 50 0 EIAARN O=C(CCn1ccc2ccccc21)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025145278 212462089 /nfs/dbraw/zinc/46/20/89/212462089.db2.gz OPDHFMAHHMLLGY-CABCVRRESA-N 0 0 338.373 4.269 50 0 EIAARN COc1ccc(NC(=O)CCc2ccco2)cc1Cc1ccccc1 ZINC000024883195 212445885 /nfs/dbraw/zinc/44/58/85/212445885.db2.gz ZDCSPZWZYDXZKT-UHFFFAOYSA-N 0 0 335.403 4.450 50 0 EIAARN S=c1scnn1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000024766651 212439187 /nfs/dbraw/zinc/43/91/87/212439187.db2.gz BFFIJIYGICTWRO-NSHDSACASA-N 0 0 334.495 4.078 50 0 EIAARN COc1ccc2nc(NC(=O)[C@H](C)Sc3ccccc3)sc2c1 ZINC000024761128 212437735 /nfs/dbraw/zinc/43/77/35/212437735.db2.gz FBAQITGABRXQMN-NSHDSACASA-N 0 0 344.461 4.424 50 0 EIAARN O=C(CNc1cccc(OC(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000024368635 212419402 /nfs/dbraw/zinc/41/94/02/212419402.db2.gz VGSGQBZHKMJIDQ-UHFFFAOYSA-N 0 0 344.720 4.289 50 0 EIAARN CCc1nc(COC(=O)c2cccnc2Oc2ccccc2)cs1 ZINC000024342348 212418466 /nfs/dbraw/zinc/41/84/66/212418466.db2.gz IPDYGFQCWIVJTG-UHFFFAOYSA-N 0 0 340.404 4.250 50 0 EIAARN CC(C)c1ccccc1-n1ccnc1SCC(=O)NC(C)(C)C ZINC000024090645 212409018 /nfs/dbraw/zinc/40/90/18/212409018.db2.gz ZZDBVJDLNSVIMI-UHFFFAOYSA-N 0 0 331.485 4.003 50 0 EIAARN O=C(N[C@@H](c1nccs1)C1CC1)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000074141769 216458657 /nfs/dbraw/zinc/45/86/57/216458657.db2.gz RGGHJMHFVPSSQQ-JKSUJKDBSA-N 0 0 345.443 4.184 50 0 EIAARN Cc1cccc(-c2nc(CC(=O)NCCc3cccs3)cs2)c1 ZINC000023483813 212380529 /nfs/dbraw/zinc/38/05/29/212380529.db2.gz OOBSBESNRCJYCS-UHFFFAOYSA-N 0 0 342.489 4.081 50 0 EIAARN Cc1nc(/C=C/C(=O)N2CC[C@H](C)Sc3ccccc32)cs1 ZINC000023493022 212380213 /nfs/dbraw/zinc/38/02/13/212380213.db2.gz ZKHUWNXXQGYDMZ-GUOLPTJISA-N 0 0 330.478 4.382 50 0 EIAARN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000023339207 212369444 /nfs/dbraw/zinc/36/94/44/212369444.db2.gz GJRGTVAXZKBTCD-AWEZNQCLSA-N 0 0 346.521 4.268 50 0 EIAARN Cc1cccn2c(=O)cc(CSCc3ccc(Cl)cc3)nc12 ZINC000023221176 212360293 /nfs/dbraw/zinc/36/02/93/212360293.db2.gz FATULUKEJMBZGF-UHFFFAOYSA-N 0 0 330.840 4.090 50 0 EIAARN O=C(CSc1cccs1)NCc1csc(-c2ccccc2)n1 ZINC000023192980 212359212 /nfs/dbraw/zinc/35/92/12/212359212.db2.gz HOTVSSIFGRERIT-UHFFFAOYSA-N 0 0 346.502 4.280 50 0 EIAARN Cc1cc(CN(C)c2ncnc3sc(-c4ccccc4)cc32)no1 ZINC000023185357 212358646 /nfs/dbraw/zinc/35/86/46/212358646.db2.gz VNJKQKYDGNILGW-UHFFFAOYSA-N 0 0 336.420 4.291 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)[nH]n2)s1 ZINC000023109906 212348285 /nfs/dbraw/zinc/34/82/85/212348285.db2.gz ZRPQJQDLHDGPSC-NSHDSACASA-N 0 0 329.400 4.077 50 0 EIAARN O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCc1cccs1 ZINC000023127274 212350580 /nfs/dbraw/zinc/35/05/80/212350580.db2.gz ZVGXGKZGFPTUTF-UHFFFAOYSA-N 0 0 338.388 4.008 50 0 EIAARN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000022762815 212322229 /nfs/dbraw/zinc/32/22/29/212322229.db2.gz DJZFFTXJURCEHM-QUDLODQRSA-N 0 0 329.406 4.440 50 0 EIAARN CC(C)c1ccc(OCC(=O)OCc2cc(-c3ccco3)on2)cc1 ZINC000022768975 212322263 /nfs/dbraw/zinc/32/22/63/212322263.db2.gz XLDZSQPUFHHKNL-UHFFFAOYSA-N 0 0 341.363 4.180 50 0 EIAARN O=C(Cc1[nH]nc2ccccc21)N1CCC[C@@H]1CC1CCCCC1 ZINC000075126257 216566686 /nfs/dbraw/zinc/56/66/86/216566686.db2.gz CVWUASITCNZPFM-MRXNPFEDSA-N 0 0 325.456 4.067 50 0 EIAARN CCN(CC)C(=O)c1ccc(-c2cc(-c3cccc(OC)c3)[nH]n2)cc1 ZINC000022660324 212314322 /nfs/dbraw/zinc/31/43/22/212314322.db2.gz UVTQQMYBXCWWDM-UHFFFAOYSA-N 0 0 349.434 4.234 50 0 EIAARN CC(C)OCCCNC(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022639437 212313918 /nfs/dbraw/zinc/31/39/18/212313918.db2.gz IWXGICRJPUVTLQ-UHFFFAOYSA-N 0 0 338.407 4.040 50 0 EIAARN CC(C)C[C@@H](C)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000022623795 212312089 /nfs/dbraw/zinc/31/20/89/212312089.db2.gz QXXPMAZZFACPTH-CYBMUJFWSA-N 0 0 345.464 4.351 50 0 EIAARN CCc1nc2ccccc2n1CC(=O)Nc1cccc2ccccc21 ZINC000022558515 212306886 /nfs/dbraw/zinc/30/68/86/212306886.db2.gz KJAUGXGZXNVNDF-UHFFFAOYSA-N 0 0 329.403 4.391 50 0 EIAARN O=C(NC1CCCCC1)N(CCc1cccs1)Cc1cccnc1 ZINC000075154744 216585889 /nfs/dbraw/zinc/58/58/89/216585889.db2.gz CCQIPUZKRRNSAY-UHFFFAOYSA-N 0 0 343.496 4.230 50 0 EIAARN Cc1ccc(C)c(Sc2ncccc2C(=O)NCc2ccccn2)c1 ZINC000022506359 212302276 /nfs/dbraw/zinc/30/22/76/212302276.db2.gz PXTGBHVQASFFFC-UHFFFAOYSA-N 0 0 349.459 4.175 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/nfs/dbraw/zinc/19/98/61/212199861.db2.gz HQKODIDNLBVBNI-UHFFFAOYSA-N 0 0 338.432 4.384 50 0 EIAARN O=C(c1cccc([C@H]2CCOC2)c1)N(Cc1ccco1)c1ccccn1 ZINC000242164660 243013285 /nfs/dbraw/zinc/01/32/85/243013285.db2.gz WWUQEJWJDVNOLT-SFHVURJKSA-N 0 0 348.402 4.026 50 0 EIAARN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000242324401 243016322 /nfs/dbraw/zinc/01/63/22/243016322.db2.gz ZBALUHHDYZQXBC-QGZVFWFLSA-N 0 0 342.418 4.412 50 0 EIAARN Cc1cccc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)n1 ZINC000020908607 212185615 /nfs/dbraw/zinc/18/56/15/212185615.db2.gz DXTUBDMXDRWMQS-UHFFFAOYSA-N 0 0 326.403 4.364 50 0 EIAARN Cc1nnc([C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)s1 ZINC000241926492 243006637 /nfs/dbraw/zinc/00/66/37/243006637.db2.gz UGOZZNSPLGEZMR-OUJBWJOFSA-N 0 0 337.518 4.351 50 0 EIAARN COc1ccccc1Nc1cc(C)nc2nc(-c3ccc(C)cc3)nn21 ZINC000020853329 212177214 /nfs/dbraw/zinc/17/72/14/212177214.db2.gz UDKLRLJWQDZFOY-UHFFFAOYSA-N 0 0 345.406 4.160 50 0 EIAARN CC1CCC2(CC1)O[C@]1(O)CC[C@H](C)C[C@@H]1[C@]1(O)CC[C@H](C)C[C@H]21 ZINC000245294746 243102832 /nfs/dbraw/zinc/10/28/32/243102832.db2.gz ADNNEGQOWCOQPG-AYPWLBLCSA-N 0 0 336.516 4.258 50 0 EIAARN Cc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2s1 ZINC000020733688 212166708 /nfs/dbraw/zinc/16/67/08/212166708.db2.gz MUNDWHFFKYPXKW-UHFFFAOYSA-N 0 0 335.432 4.059 50 0 biogenic EIAARN COc1ccccc1-c1nnc2sc(-c3c[nH]c4ccccc43)nn21 ZINC000020745106 212168617 /nfs/dbraw/zinc/16/86/17/212168617.db2.gz GHCWTHSCGIOMJI-UHFFFAOYSA-N 0 0 347.403 4.010 50 0 EIAARN Clc1cccc(-n2ncc3c2ncnc3N2CCc3ccccc32)c1 ZINC000020662182 212159787 /nfs/dbraw/zinc/15/97/87/212159787.db2.gz WZUHPHMEHZTDHC-UHFFFAOYSA-N 0 0 347.809 4.163 50 0 EIAARN Cc1nn(-c2ccccc2)c2nc(-c3ccn(C)n3)cc(C(F)F)c12 ZINC000020616122 212156082 /nfs/dbraw/zinc/15/60/82/212156082.db2.gz RMONWRBYHGCRAT-UHFFFAOYSA-N 0 0 339.349 4.067 50 0 EIAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(F)c3)sc21 ZINC000020616046 212156130 /nfs/dbraw/zinc/15/61/30/212156130.db2.gz HDDXMNMBBWZARE-UHFFFAOYSA-N 0 0 343.305 4.045 50 0 EIAARN Cn1ncc2c1nc(-c1ccc(OC(F)F)cc1)cc2C(F)(F)F ZINC000020604997 212152902 /nfs/dbraw/zinc/15/29/02/212152902.db2.gz GWPVZYZMHOWSEU-UHFFFAOYSA-N 0 0 343.255 4.256 50 0 EIAARN COc1ccc(C)cc1N(C)C(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575441 212148890 /nfs/dbraw/zinc/14/88/90/212148890.db2.gz MCUIFPMDKVRLIG-UHFFFAOYSA-N 0 0 345.402 4.310 50 0 EIAARN Cc1cc(C)c(-c2c(=O)c(=O)c2N[C@@H]2CCCc3ccccc32)cc1C ZINC000020565438 212147441 /nfs/dbraw/zinc/14/74/41/212147441.db2.gz UAOKUNIDNICHND-LJQANCHMSA-N 0 0 345.442 4.364 50 0 EIAARN Cc1cc(-c2cccc(-c3ccn(C[C@@H]4CCCO4)n3)c2)cc(C)n1 ZINC000020541668 212145469 /nfs/dbraw/zinc/14/54/69/212145469.db2.gz LABJYCVYHDGALI-FQEVSTJZSA-N 0 0 333.435 4.408 50 0 EIAARN Fc1cccc(-c2n[nH]c3c2CN(Cc2ccc(F)cc2F)CC3)c1 ZINC000020537958 212144360 /nfs/dbraw/zinc/14/43/60/212144360.db2.gz SMZQFYQDVBSRMS-UHFFFAOYSA-N 0 0 343.352 4.052 50 0 EIAARN CCc1cccc(NC(=O)c2noc3c2COc2ccc(C)cc2-3)c1 ZINC000020509935 212141345 /nfs/dbraw/zinc/14/13/45/212141345.db2.gz MVUZFTXWXXZOKE-UHFFFAOYSA-N 0 0 334.375 4.357 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@H]2O ZINC000252441330 243756923 /nfs/dbraw/zinc/75/69/23/243756923.db2.gz QIOYEDVDPAWRGZ-YRYYUTHUSA-N 0 0 332.484 4.053 50 0 EIAARN Cc1ccc(Cn2nccc2NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000252484138 243776854 /nfs/dbraw/zinc/77/68/54/243776854.db2.gz FPPIBIWFLOCAII-UHFFFAOYSA-N 0 0 349.434 4.279 50 0 EIAARN Cc1noc(C(C)(C)NC(=O)Nc2cc(Cl)c(C)cc2Cl)n1 ZINC000253418556 243946336 /nfs/dbraw/zinc/94/63/36/243946336.db2.gz JIVJKEBFDCRWKU-UHFFFAOYSA-N 0 0 343.214 4.050 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1cccc(Cl)c1 ZINC000020467832 212134597 /nfs/dbraw/zinc/13/45/97/212134597.db2.gz KYQFMYCRIOUMIL-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN C=C1C(Nc2ccc(CC)cc2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020465428 212134367 /nfs/dbraw/zinc/13/43/67/212134367.db2.gz OHXGXOMVJPGYOG-UHFFFAOYSA-N 0 0 340.448 4.142 50 0 EIAARN O=C(/C=C/c1ccccc1)NCC[C@@H](O)c1cccc2ccccc21 ZINC000077116433 216841382 /nfs/dbraw/zinc/84/13/82/216841382.db2.gz NAVZDRYTNPRUJW-QZMUEMGWSA-N 0 0 331.415 4.093 50 0 EIAARN COc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cccc(O)c1O2 ZINC000020132937 212104144 /nfs/dbraw/zinc/10/41/44/212104144.db2.gz UIXZFJASPYXDDA-UHFFFAOYSA-N 0 0 338.388 4.217 50 0 EIAARN O=C(Oc1cccn2cc(-c3ccc(F)cc3)nc12)c1ccccc1 ZINC000020031955 212095564 /nfs/dbraw/zinc/09/55/64/212095564.db2.gz ZYGDMVACWMXPRQ-UHFFFAOYSA-N 0 0 332.334 4.360 50 0 EIAARN O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCc1cccs1 ZINC000077379004 216887940 /nfs/dbraw/zinc/88/79/40/216887940.db2.gz RGUHHXXXTYINAU-HNNXBMFYSA-N 0 0 343.448 4.104 50 0 EIAARN CC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c1C ZINC000077422371 216900870 /nfs/dbraw/zinc/90/08/70/216900870.db2.gz IBHLHMUSEHIDDO-QGZVFWFLSA-N 0 0 342.414 4.341 50 0 EIAARN Cc1cc(N2CCC(OCc3cccnc3)CC2)nc2ccccc12 ZINC000077407544 216897173 /nfs/dbraw/zinc/89/71/73/216897173.db2.gz URWJGWHSMSDJES-UHFFFAOYSA-N 0 0 333.435 4.124 50 0 EIAARN Cc1oc(-c2ccco2)nc1CN(C)Cc1nc2ccccc2s1 ZINC000019841095 212073963 /nfs/dbraw/zinc/07/39/63/212073963.db2.gz TWJRWOBEAIVGRK-UHFFFAOYSA-N 0 0 339.420 4.485 50 0 EIAARN O=C(CSc1nnc(-c2cccs2)o1)c1ccccc1Cl ZINC000019809912 212070658 /nfs/dbraw/zinc/07/06/58/212070658.db2.gz MUCRJUJLWQMXEY-UHFFFAOYSA-N 0 0 336.825 4.427 50 0 EIAARN Brc1cc(CN2CCOCC2)c(-c2ccccc2)s1 ZINC000019800857 212070330 /nfs/dbraw/zinc/07/03/30/212070330.db2.gz PPQRMYGZANUUGZ-UHFFFAOYSA-N 0 0 338.270 4.010 50 0 EIAARN Brc1cc(-c2ccccc2)c(CN2CCOCC2)s1 ZINC000019801353 212070047 /nfs/dbraw/zinc/07/00/47/212070047.db2.gz HRNXTOFJEWKTJW-UHFFFAOYSA-N 0 0 338.270 4.010 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257345962 244582499 /nfs/dbraw/zinc/58/24/99/244582499.db2.gz NTIDOCUQWIFRTK-QYQWGMGISA-N 0 0 334.500 4.179 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21C=CC(=O)O1 ZINC000257355911 244584716 /nfs/dbraw/zinc/58/47/16/244584716.db2.gz DMEFWCRLNXTGFD-LBCMOLISSA-N 0 0 342.479 4.162 50 0 EIAARN CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1F ZINC000019736786 212059570 /nfs/dbraw/zinc/05/95/70/212059570.db2.gz CCXFRCAJSLDLNO-OLZOCXBDSA-N 0 0 330.403 4.327 50 0 EIAARN CCC(C)(C)c1ccc(OCC(=O)Nc2cc(N)ccc2F)cc1 ZINC000019736783 212059241 /nfs/dbraw/zinc/05/92/41/212059241.db2.gz DTXLXARCLGLASV-UHFFFAOYSA-N 0 0 330.403 4.113 50 0 EIAARN Cc1ccc2occ(CN3CCc4c5ccccc5[nH]c4C3)c(=O)c2c1 ZINC000019634140 212052260 /nfs/dbraw/zinc/05/22/60/212052260.db2.gz XEQHHCPXXLCBHN-UHFFFAOYSA-N 0 0 344.414 4.141 50 0 EIAARN CCOC(=O)c1nc2ccccc2nc1NC[C@@H](C)c1ccccc1 ZINC000049524225 214014543 /nfs/dbraw/zinc/01/45/43/214014543.db2.gz HFBCVTKDDHVWEM-CQSZACIVSA-N 0 0 335.407 4.022 50 0 EIAARN CCn1ccc2cc(NC(=O)c3ccccc3-c3cncnc3)ccc21 ZINC000078095815 217022194 /nfs/dbraw/zinc/02/21/94/217022194.db2.gz YHOAKXGYGPSXMO-UHFFFAOYSA-N 0 0 342.402 4.371 50 0 EIAARN O=C(NC1CCCCCCC1)c1cc(Br)cnc1Cl ZINC000050044484 214041946 /nfs/dbraw/zinc/04/19/46/214041946.db2.gz DUEIKOKXLQWUPT-UHFFFAOYSA-N 0 0 345.668 4.340 50 0 EIAARN Cc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(C)c(C)c1 ZINC000019225720 212007450 /nfs/dbraw/zinc/00/74/50/212007450.db2.gz JOOLIKCRRFDCQQ-QGZVFWFLSA-N 0 0 337.467 4.260 50 0 EIAARN CCc1cnc(-c2cccc(-c3ccn(Cc4ccncc4)n3)c2)nc1 ZINC000019146772 212001577 /nfs/dbraw/zinc/00/15/77/212001577.db2.gz XGKIKQZXSNKESW-UHFFFAOYSA-N 0 0 341.418 4.013 50 0 EIAARN COc1ccc(-n2c(SC)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000018062108 211979978 /nfs/dbraw/zinc/97/99/78/211979978.db2.gz JRZKLHUIUYTDEY-UHFFFAOYSA-N 0 0 336.420 4.146 50 0 aggregator EIAARN CCOc1ccc(CNC(=O)c2cccc(Cl)c2)cc1OCC ZINC000078578223 217079358 /nfs/dbraw/zinc/07/93/58/217079358.db2.gz SAFMSDGRCAIPBK-UHFFFAOYSA-N 0 0 333.815 4.067 50 0 EIAARN Cc1cc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)no1 ZINC000018057910 211978255 /nfs/dbraw/zinc/97/82/55/211978255.db2.gz HZWGUUGBNTWNRZ-XBLGPDGASA-N 0 0 336.435 4.460 50 0 EIAARN Nc1ccc(SCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000017071445 211952150 /nfs/dbraw/zinc/95/21/50/211952150.db2.gz CPIYBMRWMUVBDP-UHFFFAOYSA-N 0 0 341.461 4.123 50 0 EIAARN O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(Cl)c1)CCC3 ZINC000017070560 211950494 /nfs/dbraw/zinc/95/04/94/211950494.db2.gz JORHYWCQGNIKPO-UHFFFAOYSA-N 0 0 334.853 4.252 50 0 EIAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1Cl ZINC000016706336 211931496 /nfs/dbraw/zinc/93/14/96/211931496.db2.gz KNDAUWZDPRDKMP-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN O=C(OCCOc1cc(Cl)ccc1Cl)c1cccnc1Cl ZINC000016694871 211929563 /nfs/dbraw/zinc/92/95/63/211929563.db2.gz HEEZVBMFPXIGQM-UHFFFAOYSA-N 0 0 346.597 4.278 50 0 EIAARN C[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1c(F)cccc1F ZINC000079029626 217177915 /nfs/dbraw/zinc/17/79/15/217177915.db2.gz NVTCGDWNNCBRNZ-ZDUSSCGKSA-N 0 0 330.378 4.260 50 0 EIAARN Cc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc(C(C)C)n1 ZINC000016454266 211906085 /nfs/dbraw/zinc/90/60/85/211906085.db2.gz VHAWXFYBCVGCLE-GJZGRUSLSA-N 0 0 343.496 4.266 50 0 EIAARN COCCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000079070844 217186649 /nfs/dbraw/zinc/18/66/49/217186649.db2.gz BPQIBUYZHRXTIQ-LLVKDONJSA-N 0 0 330.255 4.256 50 0 EIAARN CCOC(=O)C1=C(C(F)(F)F)Nc2cc(Cl)c(Cl)cc2N1 ZINC000016159019 211888635 /nfs/dbraw/zinc/88/86/35/211888635.db2.gz WZLILJDBHZNVHW-UHFFFAOYSA-N 0 0 341.116 4.168 50 0 EIAARN O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000016092833 211884098 /nfs/dbraw/zinc/88/40/98/211884098.db2.gz UTNAFZLNBTZCLE-UHFFFAOYSA-N 0 0 346.429 4.095 50 0 EIAARN CSc1ccc(C)c(C(=O)N(CC(F)(F)F)c2ccccn2)c1 ZINC000079438268 217224249 /nfs/dbraw/zinc/22/42/49/217224249.db2.gz MRAUAYBAJLJQLT-UHFFFAOYSA-N 0 0 340.370 4.321 50 0 EIAARN CCn1c(CCc2cccc(NC(=O)C3CC3)c2)nc2ccccc21 ZINC000015863665 211863765 /nfs/dbraw/zinc/86/37/65/211863765.db2.gz YFRZQWNLCOLKSL-UHFFFAOYSA-N 0 0 333.435 4.190 50 0 EIAARN COC(=O)c1cccc(Nc2cc(-c3cccc(C)c3)nc(C)n2)c1 ZINC000015859098 211861957 /nfs/dbraw/zinc/86/19/57/211861957.db2.gz MBVTXXZQLVWWCX-UHFFFAOYSA-N 0 0 333.391 4.291 50 0 EIAARN Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccc(C)c3)o2)cc1 ZINC000015868135 211866061 /nfs/dbraw/zinc/86/60/61/211866061.db2.gz JIMOPBARILVDKC-UHFFFAOYSA-N 0 0 348.402 4.079 50 0 EIAARN COc1cccc(NC(=O)c2cc(OC)c3cc(Cl)ccc3n2)c1 ZINC000015829249 211856123 /nfs/dbraw/zinc/85/61/23/211856123.db2.gz DRZVGWMIUUMKNB-UHFFFAOYSA-N 0 0 342.782 4.158 50 0 EIAARN COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c2cccnc12 ZINC000015840629 211860857 /nfs/dbraw/zinc/86/08/57/211860857.db2.gz MQXOUKFGJYMZHT-UHFFFAOYSA-N 0 0 336.391 4.283 50 0 EIAARN Cc1ccc([C@H](NC(=O)Cc2ccccc2C)c2cccnc2)cc1C ZINC000015839807 211860515 /nfs/dbraw/zinc/86/05/15/211860515.db2.gz SROOZJZDJWVJKO-QHCPKHFHSA-N 0 0 344.458 4.455 50 0 EIAARN CCCOc1ccc(NC(=O)c2cccc(OC)c2)c2cccnc12 ZINC000015840901 211860543 /nfs/dbraw/zinc/86/05/43/211860543.db2.gz LGDAGGZGEHPSIB-UHFFFAOYSA-N 0 0 336.391 4.285 50 0 EIAARN CC(C)n1cc(CCCC(=O)NCCc2ccncc2)c2ccccc21 ZINC000079498675 217235992 /nfs/dbraw/zinc/23/59/92/217235992.db2.gz UDYJTDQIHZFMGE-UHFFFAOYSA-N 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COc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)cc1OC ZINC000008611235 210973110 /nfs/dbraw/zinc/97/31/10/210973110.db2.gz MHCMRDOQZPWYOH-UHFFFAOYSA-N 0 0 340.379 4.221 50 0 EIAARN Cc1nnc([C@@H](N[C@@H]2CCSc3ccccc32)c2ccccc2)[nH]1 ZINC000095421723 218364491 /nfs/dbraw/zinc/36/44/91/218364491.db2.gz YAKJTIOGGFUHPK-AEFFLSMTSA-N 0 0 336.464 4.029 50 0 EIAARN CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1csc(CC)n1)CCO2 ZINC000095422312 218364943 /nfs/dbraw/zinc/36/49/43/218364943.db2.gz VFAPVHSTEIGESD-SWLSCSKDSA-N 0 0 332.469 4.279 50 0 EIAARN Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H](CCO)c1cccs1 ZINC000095426705 218368835 /nfs/dbraw/zinc/36/88/35/218368835.db2.gz RFKODTHVDLGELH-ZDUSSCGKSA-N 0 0 349.839 4.310 50 0 EIAARN CCOC(=O)Nc1cccc(NCc2ccc(COC)cc2)c1C ZINC000095428587 218370847 /nfs/dbraw/zinc/37/08/47/218370847.db2.gz MUUWWFKRIFYKAS-UHFFFAOYSA-N 0 0 328.412 4.322 50 0 EIAARN C[C@H](c1ccccc1)N(C)C(=O)CSc1nc2ccccc2o1 ZINC000008447894 210954185 /nfs/dbraw/zinc/95/41/85/210954185.db2.gz XSOXPBKUVCJVQM-CYBMUJFWSA-N 0 0 326.421 4.140 50 0 EIAARN CC(=O)N(C)c1ccc(NCc2cccc(-c3ccccn3)c2)cc1 ZINC000095431706 218373610 /nfs/dbraw/zinc/37/36/10/218373610.db2.gz VOSQIJXEVBGRKB-UHFFFAOYSA-N 0 0 331.419 4.343 50 0 EIAARN C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1nccs1 ZINC000008391718 210946372 /nfs/dbraw/zinc/94/63/72/210946372.db2.gz CRHWHLKHKHFLMO-QMMMGPOBSA-N 0 0 343.271 4.025 50 0 EIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccccc1F ZINC000008347228 210940419 /nfs/dbraw/zinc/94/04/19/210940419.db2.gz KLSBUHMBZXGLCI-LBPRGKRZSA-N 0 0 328.412 4.198 50 0 EIAARN FC(F)(F)c1cc(-c2ccco2)nc2c1cnn2Cc1ccncc1 ZINC000008337903 210939511 /nfs/dbraw/zinc/93/95/11/210939511.db2.gz AUKMTZWATWCIPP-UHFFFAOYSA-N 0 0 344.296 4.153 50 0 EIAARN COc1ccccc1CN(C)c1nc(C(F)(F)F)nc2ccccc21 ZINC000008327300 210936810 /nfs/dbraw/zinc/93/68/10/210936810.db2.gz FZRXYUUKGJNYHF-UHFFFAOYSA-N 0 0 347.340 4.294 50 0 EIAARN CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000095447025 218390990 /nfs/dbraw/zinc/39/09/90/218390990.db2.gz 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/nfs/dbraw/zinc/89/49/69/210894969.db2.gz OWLYYKYCUXPZCG-UHFFFAOYSA-N 0 0 336.460 4.286 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC1CCCCCC1 ZINC000008085310 210892762 /nfs/dbraw/zinc/89/27/62/210892762.db2.gz VYMUSFLLWUFCFW-UHFFFAOYSA-N 0 0 327.468 4.367 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)N1CCC[C@@H]1c1ccccn1 ZINC000095525768 218429505 /nfs/dbraw/zinc/42/95/05/218429505.db2.gz LGFLDYVHMRBABM-QGZVFWFLSA-N 0 0 339.443 4.152 50 0 EIAARN Cc1nc2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2nc1C ZINC000008061321 210888484 /nfs/dbraw/zinc/88/84/84/210888484.db2.gz RFUVWPFMHIWIJS-UHFFFAOYSA-N 0 0 343.333 4.100 50 0 EIAARN O=C([C@@H]1CC=CCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008037503 210886780 /nfs/dbraw/zinc/88/67/80/210886780.db2.gz OKOOODLVOSHXCC-OAHLLOKOSA-N 0 0 326.465 4.359 50 0 EIAARN Cc1nc(C)c([C@H](C)N(C)c2cc(C)nc(-c3ccncc3)n2)s1 ZINC000095959051 218465235 /nfs/dbraw/zinc/46/52/35/218465235.db2.gz SLUWTPBTCOSCFL-ZDUSSCGKSA-N 0 0 339.468 4.118 50 0 EIAARN Cc1ccccc1OCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000007890023 210860625 /nfs/dbraw/zinc/86/06/25/210860625.db2.gz KOWIAUUDGQBQLI-HXUWFJFHSA-N 0 0 337.444 4.341 50 0 EIAARN CC[C@H](C)N(C)C(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000095962989 218468236 /nfs/dbraw/zinc/46/82/36/218468236.db2.gz ZKYUXADZMICNIX-NSHDSACASA-N 0 0 328.250 4.107 50 0 EIAARN C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000007830848 210853661 /nfs/dbraw/zinc/85/36/61/210853661.db2.gz BVGXZUVMBFJAPI-MVGZEHJDSA-N 0 0 349.459 4.093 50 0 EIAARN Cc1csc(N(C(=O)CCc2c(C)noc2C)c2ccccc2)n1 ZINC000007778496 210844178 /nfs/dbraw/zinc/84/41/78/210844178.db2.gz BXENFAXANDAGTA-UHFFFAOYSA-N 0 0 341.436 4.354 50 0 EIAARN CCc1cc2c(nc3n(c2=O)CC/C3=C\c2ccc(C)s2)s1 ZINC000007700715 210834389 /nfs/dbraw/zinc/83/43/89/210834389.db2.gz FLFXGUVARFRXOY-DHZHZOJOSA-N 0 0 328.462 4.335 50 0 EIAARN O=C(NCc1ccco1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699877 210833714 /nfs/dbraw/zinc/83/37/14/210833714.db2.gz NTBWTWAJZDOXCF-UHFFFAOYSA-N 0 0 341.794 4.442 50 0 EIAARN O=C(CSc1ccc2c(c1)CCC2)Nc1ccnn1C1CCCC1 ZINC000007687973 210831972 /nfs/dbraw/zinc/83/19/72/210831972.db2.gz BSYGUQCMBRSKAK-UHFFFAOYSA-N 0 0 341.480 4.218 50 0 EIAARN O=C(CSc1cccc2cccc(Cl)c21)NCC(F)(F)F ZINC000007735407 210839569 /nfs/dbraw/zinc/83/95/69/210839569.db2.gz ORXYIYGIWLWLDI-UHFFFAOYSA-N 0 0 333.762 4.264 50 0 EIAARN O=C(Nc1ccc2oc3ccccc3c2c1)[C@H]1COc2ccccc2O1 ZINC000007735205 210839344 /nfs/dbraw/zinc/83/93/44/210839344.db2.gz OECYSUWKJNCDRT-HXUWFJFHSA-N 0 0 345.354 4.365 50 0 EIAARN C[C@H](NC(=O)/C=C/c1cccs1)c1ccc(Br)cc1 ZINC000007645595 210825223 /nfs/dbraw/zinc/82/52/23/210825223.db2.gz XAYKMHFDYJKQMI-FBOQAHMBSA-N 0 0 336.254 4.401 50 0 EIAARN O=C(OCc1cc(-c2cccs2)on1)c1ccc2ncsc2c1 ZINC000007637047 210823779 /nfs/dbraw/zinc/82/37/79/210823779.db2.gz WJMQEZAZMNRIOH-UHFFFAOYSA-N 0 0 342.401 4.370 50 0 EIAARN Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1Cl ZINC000007253382 210773784 /nfs/dbraw/zinc/77/37/84/210773784.db2.gz AUPCGIKOVJDHGZ-UHFFFAOYSA-N 0 0 335.860 4.094 50 0 EIAARN CCc1ccc(-c2noc(COC(=O)c3cc4ccccc4o3)n2)cc1 ZINC000007087885 210757552 /nfs/dbraw/zinc/75/75/52/210757552.db2.gz ZFDFVIHKZIINJV-UHFFFAOYSA-N 0 0 348.358 4.402 50 0 EIAARN C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000007180330 210765664 /nfs/dbraw/zinc/76/56/64/210765664.db2.gz AQSKRDRHYVKVJI-INIZCTEOSA-N 0 0 332.403 4.005 50 0 EIAARN O=C(/C=C/c1ccccc1)NCc1nn(C2CCCC2)c2c1CCCC2 ZINC000096099213 218592447 /nfs/dbraw/zinc/59/24/47/218592447.db2.gz UKIQIUVWDXLQOU-CCEZHUSRSA-N 0 0 349.478 4.207 50 0 EIAARN O=C(NC1CCCCCCC1)c1nnc(Cc2cccc(Cl)c2)o1 ZINC000006822271 210721921 /nfs/dbraw/zinc/72/19/21/210721921.db2.gz GVIXHNHFTWPWQX-UHFFFAOYSA-N 0 0 347.846 4.157 50 0 EIAARN CCN(C(=O)NCc1noc2ccc(C)cc12)c1cc(C)ccc1C ZINC000006866068 210730728 /nfs/dbraw/zinc/73/07/28/210730728.db2.gz VWTBOCHLTZKIRC-UHFFFAOYSA-N 0 0 337.423 4.489 50 0 EIAARN CC(C)c1c(C(=O)N2CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC000006765232 210705471 /nfs/dbraw/zinc/70/54/71/210705471.db2.gz KALAFVBZJWZGLW-UHFFFAOYSA-N 0 0 331.847 4.275 50 0 EIAARN Cc1cc(/C=C\C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)n1C1CCCCC1 ZINC000096124583 218615077 /nfs/dbraw/zinc/61/50/77/218615077.db2.gz ZBOZLVMNOFPWJA-YXZOOJDESA-N 0 0 344.499 4.259 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000006697999 210682884 /nfs/dbraw/zinc/68/28/84/210682884.db2.gz CUIMOCIPPJWCAK-UHFFFAOYSA-N 0 0 328.224 4.066 50 0 EIAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc2ncsc2c1 ZINC000006649154 210667814 /nfs/dbraw/zinc/66/78/14/210667814.db2.gz ZVNYDWAIQLPYJQ-CYBMUJFWSA-N 0 0 326.446 4.263 50 0 EIAARN O=C(/C=C(/c1ccccc1)C(F)(F)F)N(Cc1cccnc1)C1CC1 ZINC000096189993 218660202 /nfs/dbraw/zinc/66/02/02/218660202.db2.gz HNNFBLUUICFTQR-BOPFTXTBSA-N 0 0 346.352 4.219 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCc2ccccc21 ZINC000006622986 210663914 /nfs/dbraw/zinc/66/39/14/210663914.db2.gz YUOVWDJKCATUHS-CYBMUJFWSA-N 0 0 344.842 4.128 50 0 EIAARN COc1ccc2oc(C(=O)NCCc3ccc(Cl)cc3)c(C)c2c1 ZINC000006609603 210662657 /nfs/dbraw/zinc/66/26/57/210662657.db2.gz 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/nfs/dbraw/zinc/58/63/54/210586354.db2.gz ABINNHUTVVYZKO-UHFFFAOYSA-N 0 0 342.839 4.398 50 0 EIAARN C[C@H](c1ccccc1F)[S@](=O)Cc1ccc(OC(F)F)cc1 ZINC000096404388 218753550 /nfs/dbraw/zinc/75/35/50/218753550.db2.gz DPSQQLOCLPCVAT-XFNZEKPQSA-N 0 0 328.355 4.437 50 0 EIAARN O=C(/C=C/c1ccco1)OCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000006012100 210577659 /nfs/dbraw/zinc/57/76/59/210577659.db2.gz XIENSYYHUCZNCB-OUKQBFOZSA-N 0 0 347.370 4.142 50 0 EIAARN COc1cccc2c1Oc1nc(-c3ccccc3F)[nH]c(=S)c1C2 ZINC000006009498 210575844 /nfs/dbraw/zinc/57/58/44/210575844.db2.gz SSKVQXLVGSAMIL-UHFFFAOYSA-N 0 0 340.379 4.277 50 0 EIAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccccc2)o1 ZINC000005936479 210562120 /nfs/dbraw/zinc/56/21/20/210562120.db2.gz XWZQPKOSLGXEJP-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN CN(CCc1ccccn1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000005699262 210519493 /nfs/dbraw/zinc/51/94/93/210519493.db2.gz RZSZOSYXLCQNLP-UHFFFAOYSA-N 0 0 332.403 4.189 50 0 EIAARN O=C1OC(c2ccccc2)=NC1=CNc1ccc(Cl)c(Cl)c1 ZINC000005731531 210527531 /nfs/dbraw/zinc/52/75/31/210527531.db2.gz YRCMGEKNDGHRJJ-NTEUORMPSA-N 0 0 333.174 4.250 50 0 EIAARN Cc1ncsc1CNc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000096482820 218858152 /nfs/dbraw/zinc/85/81/52/218858152.db2.gz NZJOEPWWFQOBMC-UHFFFAOYSA-N 0 0 345.468 4.361 50 0 EIAARN CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(Cl)cc1 ZINC000005518123 210480251 /nfs/dbraw/zinc/48/02/51/210480251.db2.gz XDWRYHHAVJUACR-UHFFFAOYSA-N 0 0 337.876 4.326 50 0 EIAARN CC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000005519837 210480087 /nfs/dbraw/zinc/48/00/87/210480087.db2.gz RGUFSCDXBQXTRG-UHFFFAOYSA-N 0 0 331.799 4.340 50 0 EIAARN CCOCCOC(=O)[C@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000005410940 210459225 /nfs/dbraw/zinc/45/92/25/210459225.db2.gz PWKYPJDPMRLTAV-INIZCTEOSA-N 0 0 328.408 4.009 50 0 EIAARN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCc2ccccc21 ZINC000005451448 210466950 /nfs/dbraw/zinc/46/69/50/210466950.db2.gz BJTOOOKODUSQTN-UHFFFAOYSA-N 0 0 341.208 4.133 50 0 EIAARN 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343.448 4.446 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)CSc3ccccn3)n2)cc1 ZINC000005066863 210380900 /nfs/dbraw/zinc/38/09/00/210380900.db2.gz OTGXWEIJTCVBLE-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN Cc1oc(-c2cc(Cl)ccc2Cl)cc1C(=O)N1CCOCC1 ZINC000005032281 210368504 /nfs/dbraw/zinc/36/85/04/210368504.db2.gz XBYALJXJNHEAOZ-UHFFFAOYSA-N 0 0 340.206 4.034 50 0 EIAARN Clc1cccc(/C=C/c2nn3c(nnc3-c3ccco3)s2)c1 ZINC000005032108 210368175 /nfs/dbraw/zinc/36/81/75/210368175.db2.gz GXUWEYYZAOLQRS-VOTSOKGWSA-N 0 0 328.784 4.270 50 0 EIAARN C[C@@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Nc1ccc3nccnc3c1)C2 ZINC000005050014 210374784 /nfs/dbraw/zinc/37/47/84/210374784.db2.gz ZXAOAHPHTKLYRR-IPYPFGDCSA-N 0 0 340.496 4.083 50 0 EIAARN Fc1ccccc1COc1ccc2ccccc2c1CNc1nc[nH]n1 ZINC000005019149 210363566 /nfs/dbraw/zinc/36/35/66/210363566.db2.gz PHZYHOFNDFIYOY-UHFFFAOYSA-N 0 0 348.381 4.288 50 0 EIAARN Cc1cc2c(nc(SCc3ccc(Cl)cc3)n(C)c2=O)s1 ZINC000005017039 210362849 /nfs/dbraw/zinc/36/28/49/210362849.db2.gz 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/nfs/dbraw/zinc/35/39/96/210353996.db2.gz UJDUIINQWWXFMQ-UHFFFAOYSA-N 0 0 332.447 4.339 50 0 EIAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3C2)c(OC)c1C ZINC000004990326 210353316 /nfs/dbraw/zinc/35/33/16/210353316.db2.gz WNPVLKRCYNABSL-UHFFFAOYSA-N 0 0 336.435 4.052 50 0 EIAARN CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004991823 210352878 /nfs/dbraw/zinc/35/28/78/210352878.db2.gz HAHPOTFSPOCDKU-APSNUPSMSA-N 0 0 349.217 4.109 50 0 EIAARN CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cc(C)ccc1C ZINC000004981708 210347549 /nfs/dbraw/zinc/34/75/49/210347549.db2.gz HEZULLBBYUWITO-UHFFFAOYSA-N 0 0 348.446 4.397 50 0 EIAARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000004977752 210347184 /nfs/dbraw/zinc/34/71/84/210347184.db2.gz NDDVKHTZDIXGBF-KRWDZBQOSA-N 0 0 343.224 4.147 50 0 EIAARN Cc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000004977679 210345945 /nfs/dbraw/zinc/34/59/45/210345945.db2.gz JVSNEQVFZFOPEO-YXJHDRRASA-N 0 0 332.440 4.156 50 0 EIAARN COc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)n1ccnc1 ZINC000004997715 210354595 /nfs/dbraw/zinc/35/45/95/210354595.db2.gz OBJCXONGSPAMNV-UHFFFAOYSA-N 0 0 336.435 4.048 50 0 EIAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1 ZINC000004961075 210340660 /nfs/dbraw/zinc/34/06/60/210340660.db2.gz ZEMVVRKROSNZQR-GOSISDBHSA-N 0 0 335.432 4.218 50 0 EIAARN CC[C@@H](Oc1ccccc1)c1nn2c(nnc2-c2ccoc2C)s1 ZINC000004939105 210329757 /nfs/dbraw/zinc/32/97/57/210329757.db2.gz GRNLCEBENBSDHQ-CQSZACIVSA-N 0 0 340.408 4.284 50 0 EIAARN COc1ccccc1CCC(=O)NCc1ccc(Cl)cc1Cl ZINC000003524208 208566300 /nfs/dbraw/zinc/56/63/00/208566300.db2.gz MRZMCFMRWHBTHC-UHFFFAOYSA-N 0 0 338.234 4.251 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000003524149 208566656 /nfs/dbraw/zinc/56/66/56/208566656.db2.gz BWLIHTQBWMOURY-GFCCVEGCSA-N 0 0 339.313 4.300 50 0 EIAARN C[C@H]1CN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C[C@H](C)O1 ZINC000003534149 208567383 /nfs/dbraw/zinc/56/73/83/208567383.db2.gz ZQCQQFAMDPNHDC-GJZGRUSLSA-N 0 0 342.464 4.285 50 0 EIAARN O=c1c(Cl)c(Cl)cnn1Cc1ccc(-c2ccccc2)cc1 ZINC000004932250 210327617 /nfs/dbraw/zinc/32/76/17/210327617.db2.gz KVXADSODZQNMFO-UHFFFAOYSA-N 0 0 331.202 4.265 50 0 EIAARN Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000000037973 208554782 /nfs/dbraw/zinc/55/47/82/208554782.db2.gz JOTTXUCZUKQQQI-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCC1CCCC1 ZINC000004943872 210333797 /nfs/dbraw/zinc/33/37/97/210333797.db2.gz GKAYCQZRFAHMSR-UHFFFAOYSA-N 0 0 347.846 4.319 50 0 EIAARN CCC(=O)Nc1cc(NC(=O)CC)cc(-c2nc3ccccc3o2)c1 ZINC000004941751 210332550 /nfs/dbraw/zinc/33/25/50/210332550.db2.gz YIKYRMAKPJDNDD-UHFFFAOYSA-N 0 0 337.379 4.192 50 0 EIAARN CCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(C)cc2)N1 ZINC000004904977 210318601 /nfs/dbraw/zinc/31/86/01/210318601.db2.gz VRFMZBCRZDBOJV-INIZCTEOSA-N 0 0 342.361 4.028 50 0 EIAARN COc1ccc(-c2nc3ncccn3c2Nc2ccc(C)cc2)cc1 ZINC000004903347 210317333 /nfs/dbraw/zinc/31/73/33/210317333.db2.gz 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ZINC000004868467 210308804 /nfs/dbraw/zinc/30/88/04/210308804.db2.gz STEJQCGSPCNAPX-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN Cc1ccc(F)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000004869316 210308497 /nfs/dbraw/zinc/30/84/97/210308497.db2.gz GTJFEOOITAUXHV-UHFFFAOYSA-N 0 0 334.199 4.242 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 ZINC000004842854 210296616 /nfs/dbraw/zinc/29/66/16/210296616.db2.gz BIJQDVYXAXORJS-INIZCTEOSA-N 0 0 336.435 4.262 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cccc2ccccc21 ZINC000004821492 210287571 /nfs/dbraw/zinc/28/75/71/210287571.db2.gz JLFPLCBDGWCTTM-UHFFFAOYSA-N 0 0 344.414 4.328 50 0 EIAARN Cc1ccc(C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000004809862 210283027 /nfs/dbraw/zinc/28/30/27/210283027.db2.gz OZEVALLIDNHQSQ-UHFFFAOYSA-N 0 0 334.371 4.118 50 0 EIAARN CCn1c2c(cccc2OC)s/c1=N/C(=O)c1ccc(C)c(C)c1 ZINC000097551160 219034707 /nfs/dbraw/zinc/03/47/07/219034707.db2.gz UDNDQJMEXVAZKA-FMQUCBEESA-N 0 0 340.448 4.089 50 0 EIAARN COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC000004810653 210282915 /nfs/dbraw/zinc/28/29/15/210282915.db2.gz WNSYXDOXHRHEDE-UHFFFAOYSA-N 0 0 341.304 4.424 50 0 EIAARN Cn1ccnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000004804511 210281514 /nfs/dbraw/zinc/28/15/14/210281514.db2.gz KRJIGPLYHXEFSP-INIZCTEOSA-N 0 0 341.411 4.031 50 0 EIAARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccnc1Cl ZINC000004748650 210269399 /nfs/dbraw/zinc/26/93/99/210269399.db2.gz ZHOQULUCDJXAOF-UHFFFAOYSA-N 0 0 336.222 4.241 50 0 EIAARN CC(C)COc1cc(F)cc(-c2cc(C(=O)NC(C)C)ccn2)c1 ZINC000097594944 219037278 /nfs/dbraw/zinc/03/72/78/219037278.db2.gz KWIBYSQLPDENBS-UHFFFAOYSA-N 0 0 330.403 4.061 50 0 EIAARN CCN(C(=O)c1ccco1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000112639870 220361233 /nfs/dbraw/zinc/36/12/33/220361233.db2.gz DUJVZKGRUQVIIO-SFHVURJKSA-N 0 0 342.345 4.205 50 0 EIAARN COc1ccc(Cl)cc1N(C)C(=O)c1ccc2ccccc2n1 ZINC000114284198 220660213 /nfs/dbraw/zinc/66/02/13/220660213.db2.gz QNGLVUFQISNWNR-UHFFFAOYSA-N 0 0 326.783 4.173 50 0 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ZINC000299786702 258093775 /nfs/dbraw/zinc/09/37/75/258093775.db2.gz PCQXHNTVNRSGLX-LJQANCHMSA-N 0 0 334.419 4.086 50 0 EIAARN CC(C)c1nnc([C@H](C)NC(=O)C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000299798743 258102508 /nfs/dbraw/zinc/10/25/08/258102508.db2.gz RCCWUMHNAYIGPX-LBPRGKRZSA-N 0 0 347.846 4.146 50 0 EIAARN Cc1cccc([C@@H](NC(=O)CCc2ccccc2Cl)C2CC2)n1 ZINC000299802481 258105378 /nfs/dbraw/zinc/10/53/78/258105378.db2.gz WZHDVWCXLLJRTK-IBGZPJMESA-N 0 0 328.843 4.244 50 0 EIAARN Cc1ccc(C)c(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002997503 258050327 /nfs/dbraw/zinc/05/03/27/258050327.db2.gz IADRJDUKTGSKQU-UHFFFAOYSA-N 0 0 331.220 4.378 50 0 EIAARN CCN(CCOC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000003352302 258050628 /nfs/dbraw/zinc/05/06/28/258050628.db2.gz TYVMTFLZLJUYMQ-UHFFFAOYSA-N 0 0 343.854 4.441 50 0 EIAARN CN(Cc1ccco1)C(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000012534482 258054684 /nfs/dbraw/zinc/05/46/84/258054684.db2.gz SHXNBANDMKWZTB-UHFFFAOYSA-N 0 0 343.386 4.162 50 0 EIAARN COC(=O)c1cc(-c2nc3ccccc3[nH]2)c(-c2ccccc2)nc1C ZINC000012535208 258054709 /nfs/dbraw/zinc/05/47/09/258054709.db2.gz GBESFVCQWDOWSP-UHFFFAOYSA-N 0 0 343.386 4.387 50 0 EIAARN O=C(NCCCCc1ccccc1)NCc1ccc(OC(F)F)cc1 ZINC000012877474 258055671 /nfs/dbraw/zinc/05/56/71/258055671.db2.gz YVOIMAQZNSUOOA-UHFFFAOYSA-N 0 0 348.393 4.110 50 0 EIAARN Cc1ccc(F)cc1NCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000012877769 258055694 /nfs/dbraw/zinc/05/56/94/258055694.db2.gz BFIIARUIANIZGX-AWEZNQCLSA-N 0 0 344.455 4.464 50 0 EIAARN COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1C ZINC000014009093 258056394 /nfs/dbraw/zinc/05/63/94/258056394.db2.gz AJKAPTFXJLQKCP-WJDWOHSUSA-N 0 0 325.389 4.245 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000017193728 258056687 /nfs/dbraw/zinc/05/66/87/258056687.db2.gz MOXNGQHQTURADE-CQSZACIVSA-N 0 0 343.854 4.475 50 0 EIAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc(Cl)c[nH]1 ZINC000025194982 258057568 /nfs/dbraw/zinc/05/75/68/258057568.db2.gz VLHACMCSENAUPR-SFHVURJKSA-N 0 0 339.778 4.449 50 0 EIAARN CCCc1noc([C@@H](C)Nc2ccc(N3CCSCC3)cc2C)n1 ZINC000065270342 258062533 /nfs/dbraw/zinc/06/25/33/258062533.db2.gz ADHJGZULVAQHOD-CQSZACIVSA-N 0 0 346.500 4.057 50 0 EIAARN CCCCNC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578499 258062545 /nfs/dbraw/zinc/06/25/45/258062545.db2.gz CCOSAMBOCQOOGL-UHFFFAOYSA-N 0 0 347.418 4.466 50 0 EIAARN COc1cc2ncc(C(=O)c3ccc(F)cc3)c(Cl)c2cc1OC ZINC000071775253 258063950 /nfs/dbraw/zinc/06/39/50/258063950.db2.gz BBWNADIDPYPTPI-UHFFFAOYSA-N 0 0 345.757 4.276 50 0 EIAARN CC(C)[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1C(C)C ZINC000252507292 258073232 /nfs/dbraw/zinc/07/32/32/258073232.db2.gz WGFZGDYWWBKNPG-QGZVFWFLSA-N 0 0 325.412 4.337 50 0 EIAARN Cc1ccc(CN(C(=O)Nc2ccc3c(cnn3C)c2)C2CC2)s1 ZINC000299755998 258074106 /nfs/dbraw/zinc/07/41/06/258074106.db2.gz AICUGXNNGUXXOH-UHFFFAOYSA-N 0 0 340.452 4.140 50 0 EIAARN O=C(NCCCC[C@@H]1CCCO1)c1cccc(-c2ccsc2)c1 ZINC000299759609 258076701 /nfs/dbraw/zinc/07/67/01/258076701.db2.gz PHMORPYVUXLSRZ-GOSISDBHSA-N 0 0 329.465 4.494 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)cc(C)n1 ZINC000299762015 258078738 /nfs/dbraw/zinc/07/87/38/258078738.db2.gz UKOIRKIITHHQDW-INIZCTEOSA-N 0 0 328.843 4.372 50 0 EIAARN CC1(C)C[C@H](C(=O)NCc2ccc(-c3cccc(Cl)c3)o2)CCO1 ZINC000299766911 258081792 /nfs/dbraw/zinc/08/17/92/258081792.db2.gz COHTVNGGCWIXDA-CQSZACIVSA-N 0 0 347.842 4.421 50 0 EIAARN CC(C)Oc1ccc(NC(=O)NCCCc2cccnc2)cc1Cl ZINC000299767760 258082035 /nfs/dbraw/zinc/08/20/35/258082035.db2.gz JWDQZBRWOHKCED-UHFFFAOYSA-N 0 0 347.846 4.277 50 0 EIAARN Cc1cccnc1NCCNC(=O)Nc1ccccc1SC(C)C ZINC000299768891 258082852 /nfs/dbraw/zinc/08/28/52/258082852.db2.gz QUGQNVLJIBNZGG-UHFFFAOYSA-N 0 0 344.484 4.124 50 0 EIAARN COc1ccc2cccc(CC(=O)Nc3ccc(C)c(O)c3C)c2c1 ZINC000178774725 533339242 /nfs/dbraw/zinc/33/92/42/533339242.db2.gz VULCYLKTSDOWFY-UHFFFAOYSA-N 0 0 335.403 4.352 50 0 EIAARN COC(=O)CCCCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000170617928 533359733 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EIAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C2CC2)on1 ZINC000025537448 523220216 /nfs/dbraw/zinc/22/02/16/523220216.db2.gz DRCYHCYXZUPTIQ-UHFFFAOYSA-N 0 0 325.195 4.131 50 0 EIAARN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000068428659 523356386 /nfs/dbraw/zinc/35/63/86/523356386.db2.gz HIQZEFLPQMCSBM-AWEZNQCLSA-N 0 0 348.402 4.066 50 0 EIAARN CCc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)oc1CC ZINC000151481836 523749395 /nfs/dbraw/zinc/74/93/95/523749395.db2.gz VPDQTBXTUIVBOL-UHFFFAOYSA-N 0 0 326.318 4.009 50 0 EIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000244975085 524687326 /nfs/dbraw/zinc/68/73/26/524687326.db2.gz IASWPPWWLDZEFI-LLVKDONJSA-N 0 0 348.324 4.208 50 0 EIAARN CC(=O)c1ccc2c3c1cccc3C(=O)N(c1ccc(C)c(C)c1)C2=O ZINC000004951745 534884043 /nfs/dbraw/zinc/88/40/43/534884043.db2.gz JHPNRPSWGLXONC-UHFFFAOYSA-N 0 0 343.382 4.460 50 0 EIAARN Cc1cnn(C2CCCC2)c1NC(=O)N(C)Cc1cc(C(C)C)on1 ZINC000097532134 526253280 /nfs/dbraw/zinc/25/32/80/526253280.db2.gz MZINYNNYQXJSMS-UHFFFAOYSA-N 0 0 345.447 4.082 50 0 EIAARN Fc1ccccc1Nc1nnc(SC[C@H]2CCCCO2)s1 ZINC000003469171 526415614 /nfs/dbraw/zinc/41/56/14/526415614.db2.gz RQIOVUCXPZGETB-SNVBAGLBSA-N 0 0 325.434 4.082 50 0 EIAARN CC(C)(C)c1cnc(CCC(=O)N(c2ccccn2)C2CCCC2)o1 ZINC000187570670 526815608 /nfs/dbraw/zinc/81/56/08/526815608.db2.gz YWFKRQABGLEEAQ-UHFFFAOYSA-N 0 0 341.455 4.276 50 0 EIAARN O=C(c1coc(-c2ccccc2)n1)N(c1ccccn1)C1CCCC1 ZINC000154627031 526896472 /nfs/dbraw/zinc/89/64/72/526896472.db2.gz JKDWGYMARCCQSS-UHFFFAOYSA-N 0 0 333.391 4.326 50 0 EIAARN CC(=O)Nc1ccc(N[C@H](c2ncc[nH]2)c2ccccc2)c(Cl)c1 ZINC000129607320 527014403 /nfs/dbraw/zinc/01/44/03/527014403.db2.gz JXCXTXRXADCZNR-KRWDZBQOSA-N 0 0 340.814 4.223 50 0 EIAARN Cn1cc(/C=C\C(=O)Nc2ccccc2SC2CCCC2)cn1 ZINC000097044316 527144746 /nfs/dbraw/zinc/14/47/46/527144746.db2.gz LRGNJRDUXYNPGC-KHPPLWFESA-N 0 0 327.453 4.107 50 0 EIAARN O=C(Cc1noc2ccccc12)N(Cc1ccsc1)c1cccnc1 ZINC000171353354 527345074 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CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000146489 563244535 /nfs/dbraw/zinc/24/45/35/563244535.db2.gz MUZKVPKLFHJSGI-UHFFFAOYSA-N 0 0 332.831 4.204 50 0 EIAARN O=S(=O)(NCc1csc2ccc(Cl)cc12)c1cccs1 ZINC000000147978 563244772 /nfs/dbraw/zinc/24/47/72/563244772.db2.gz UDKKIAVCBHPMOR-UHFFFAOYSA-N 0 0 343.882 4.095 50 0 EIAARN CN(C(=O)c1ccco1)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000148043 563244850 /nfs/dbraw/zinc/24/48/50/563244850.db2.gz DTHKXKMLVZYZIA-UHFFFAOYSA-N 0 0 339.778 4.441 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1 ZINC000000150552 563245992 /nfs/dbraw/zinc/24/59/92/563245992.db2.gz DWFGGOFPIISJIT-UHFFFAOYSA-N 0 0 349.356 4.343 50 0 in-vivo EIAARN O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccco1 ZINC000000151129 563246083 /nfs/dbraw/zinc/24/60/83/563246083.db2.gz DDUINLZVLNJUGA-UHFFFAOYSA-N 0 0 349.209 4.418 50 0 EIAARN Cc1cccc2nc(-c3cccnc3Oc3ccccc3)oc(=O)c12 ZINC000000152183 563246411 /nfs/dbraw/zinc/24/64/11/563246411.db2.gz ZWCLOFDTCJDWEF-UHFFFAOYSA-N 0 0 330.343 4.351 50 0 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O=C(NCCOc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002206169 563426927 /nfs/dbraw/zinc/42/69/27/563426927.db2.gz OSVKZKKAQJUUMX-UHFFFAOYSA-N 0 0 331.415 4.014 50 0 EIAARN COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)cc1 ZINC000002225106 563427409 /nfs/dbraw/zinc/42/74/09/563427409.db2.gz SXCCGQLAEHQRQX-UHFFFAOYSA-N 0 0 349.312 4.376 50 0 EIAARN Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)c1ssc(=S)c1-2 ZINC000002297138 563428819 /nfs/dbraw/zinc/42/88/19/563428819.db2.gz HFKJSEQTXFUGIN-UHFFFAOYSA-N 0 0 333.459 4.293 50 0 EIAARN Cc1nn2c(nc(C)cc2N2CCCC2)c1-c1ccc(Cl)cc1 ZINC000002336733 563429708 /nfs/dbraw/zinc/42/97/08/563429708.db2.gz JAIZULIFYQGZMI-UHFFFAOYSA-N 0 0 326.831 4.267 50 0 EIAARN CC1(C)COC(CCCC(=O)c2ccccc2Br)OC1 ZINC000002518041 563438030 /nfs/dbraw/zinc/43/80/30/563438030.db2.gz GXWZLNVVOPUEMK-UHFFFAOYSA-N 0 0 341.245 4.201 50 0 EIAARN Cc1ccoc1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000002532395 563439856 /nfs/dbraw/zinc/43/98/56/563439856.db2.gz VYOCYTLSSGROFR-UHFFFAOYSA-N 0 0 329.208 4.022 50 0 EIAARN CC(C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000002554679 563440942 /nfs/dbraw/zinc/44/09/42/563440942.db2.gz ACTHPERTLCEIBT-NSHDSACASA-N 0 0 332.256 4.325 50 0 EIAARN OC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000002565977 563442213 /nfs/dbraw/zinc/44/22/13/563442213.db2.gz PDQRNCTWDZPBGQ-UHFFFAOYSA-N 0 0 342.030 4.293 50 0 EIAARN COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC ZINC000002583789 563443135 /nfs/dbraw/zinc/44/31/35/563443135.db2.gz YHUIUSRCUKUUQA-UHFFFAOYSA-N 0 0 333.750 4.183 50 0 in-vivo EIAARN CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccs1 ZINC000002694974 563446167 /nfs/dbraw/zinc/44/61/67/563446167.db2.gz LFXOVFVOGLUMPU-UHFFFAOYSA-N 0 0 329.450 4.002 50 0 EIAARN O=C(CSc1ncnc2c3ccccc3oc21)Nc1ccccc1 ZINC000002722792 563447037 /nfs/dbraw/zinc/44/70/37/563447037.db2.gz UTSHGZQBIUTCMS-UHFFFAOYSA-N 0 0 335.388 4.107 50 0 EIAARN CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 ZINC000002738818 563447720 /nfs/dbraw/zinc/44/77/20/563447720.db2.gz HHNASYHRVVAVNK-LLVKDONJSA-N 0 0 347.436 4.285 50 0 EIAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C1CC1 ZINC000002753149 563449075 /nfs/dbraw/zinc/44/90/75/563449075.db2.gz ZKSBQIQIUBWLNO-UHFFFAOYSA-N 0 0 335.812 4.204 50 0 EIAARN CCc1c(C)scc1C(=O)N1CCN(c2ccc(C)cc2)[C@@H](C)C1 ZINC000002754998 563449088 /nfs/dbraw/zinc/44/90/88/563449088.db2.gz DNHFKKTWSCHJFI-HNNXBMFYSA-N 0 0 342.508 4.278 50 0 EIAARN CCCCN(CCCC)C(=O)Cc1ccc(Br)cc1 ZINC000002774131 563450510 /nfs/dbraw/zinc/45/05/10/563450510.db2.gz SGOKFTNZFDBMKB-UHFFFAOYSA-N 0 0 326.278 4.420 50 0 EIAARN Cc1ccccc1CSCCNC(=O)/C=C/c1ccc(F)cc1 ZINC000002816104 563452241 /nfs/dbraw/zinc/45/22/41/563452241.db2.gz ZBRWCRGZNWKWNT-DHZHZOJOSA-N 0 0 329.440 4.197 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)Cc1c(F)cccc1Cl ZINC000010541942 563452607 /nfs/dbraw/zinc/45/26/07/563452607.db2.gz RTBQTERUMNDEDB-UHFFFAOYSA-N 0 0 333.790 4.010 50 0 EIAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1OC ZINC000002818579 563452610 /nfs/dbraw/zinc/45/26/10/563452610.db2.gz IFEMQMIMMSOYIZ-UHFFFAOYSA-N 0 0 344.386 4.215 50 0 EIAARN Cc1cc(OCC(=O)Nc2ccccc2N2CCCC2)ccc1Cl ZINC000002827113 563453325 /nfs/dbraw/zinc/45/33/25/563453325.db2.gz UHRPQBAMBVPWAS-UHFFFAOYSA-N 0 0 344.842 4.266 50 0 EIAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@@H](c2ccccc2)C1 ZINC000002831139 563453605 /nfs/dbraw/zinc/45/36/05/563453605.db2.gz DCLGOTDVTZKVFQ-SNVBAGLBSA-N 0 0 341.279 4.012 50 0 EIAARN Cc1cccc(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)c1O ZINC000002868357 563458378 /nfs/dbraw/zinc/45/83/78/563458378.db2.gz SZGYXZDWVFDMHT-UHFFFAOYSA-N 0 0 346.382 4.289 50 0 EIAARN Cc1cc(OC(=O)c2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002879469 563460438 /nfs/dbraw/zinc/46/04/38/563460438.db2.gz NUAQOSQKCLRKRG-UHFFFAOYSA-N 0 0 334.371 4.199 50 0 EIAARN CCc1cc2c(cc1O[C@H](C)C(C)=O)oc(=O)cc2-c1ccccc1 ZINC000002902383 563462762 /nfs/dbraw/zinc/46/27/62/563462762.db2.gz ZXJQVAYDRXRVAL-CQSZACIVSA-N 0 0 336.387 4.379 50 0 EIAARN Cc1ccc(SCCNC(=O)CSc2ccc(C)cc2)cc1 ZINC000002982807 563465716 /nfs/dbraw/zinc/46/57/16/563465716.db2.gz GXAUUDMNOLPIAJ-UHFFFAOYSA-N 0 0 331.506 4.304 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1ccccc1 ZINC000003073487 563471140 /nfs/dbraw/zinc/47/11/40/563471140.db2.gz UXKUZATVDWGZSF-UHFFFAOYSA-N 0 0 331.371 4.012 50 0 EIAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)c(C)c1 ZINC000003083671 563471310 /nfs/dbraw/zinc/47/13/10/563471310.db2.gz PMMHGWAMCLITDS-HNNXBMFYSA-N 0 0 329.469 4.138 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccn(-c2ccccc2)n1 ZINC000043054547 563471993 /nfs/dbraw/zinc/47/19/93/563471993.db2.gz XKPDUEFMRFKVHV-UHFFFAOYSA-N 0 0 345.324 4.072 50 0 EIAARN O=C(COc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003139907 563474277 /nfs/dbraw/zinc/47/42/77/563474277.db2.gz KVCHXJOFIMMYCT-UHFFFAOYSA-N 0 0 331.415 4.294 50 0 EIAARN O=C(Oc1ccc2c(=O)ccoc2c1)c1ccc(Cl)cc1Cl ZINC000003180685 563475938 /nfs/dbraw/zinc/47/59/38/563475938.db2.gz UAXOXYYIGSMDKJ-UHFFFAOYSA-N 0 0 335.142 4.319 50 0 EIAARN O=C(Cc1ccccc1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 ZINC000034795023 563480012 /nfs/dbraw/zinc/48/00/12/563480012.db2.gz QCPNZQFPGTWHOQ-UHFFFAOYSA-N 0 0 335.382 4.274 50 0 EIAARN CCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)c1cccc(OC)c1 ZINC000034796856 563481183 /nfs/dbraw/zinc/48/11/83/563481183.db2.gz IHNPKEPUHNYBPL-UHFFFAOYSA-N 0 0 339.370 4.039 50 0 EIAARN Cc1cccc(-n2ccc(NC(=O)c3cccc(C(F)(F)F)c3)n2)c1 ZINC000034907501 563481851 /nfs/dbraw/zinc/48/18/51/563481851.db2.gz ANWLIRDBZYVNGJ-UHFFFAOYSA-N 0 0 345.324 4.452 50 0 EIAARN Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)c2ccco2)c1 ZINC000034915000 563484332 /nfs/dbraw/zinc/48/43/32/563484332.db2.gz VZLYTTMJRQRDFY-UHFFFAOYSA-N 0 0 331.375 4.463 50 0 EIAARN CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000004217041 563498030 /nfs/dbraw/zinc/49/80/30/563498030.db2.gz LGRKCTFWUWAKON-RRFJAZBJSA-N 0 0 330.468 4.450 50 0 EIAARN CN1C[C@@H](c2c(F)cccc2Cl)[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000005719748 563546986 /nfs/dbraw/zinc/54/69/86/563546986.db2.gz OAJSJXJVFWZAFZ-ZIAGYGMSSA-N 0 0 335.781 4.146 50 0 EIAARN O=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000005768420 563549693 /nfs/dbraw/zinc/54/96/93/563549693.db2.gz WREJTLDPPCTXHQ-UHFFFAOYSA-N 0 0 339.572 4.134 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000006168526 563560279 /nfs/dbraw/zinc/56/02/79/563560279.db2.gz LOQGKAZXHSLWRT-DOTOQJQBSA-N 0 0 342.483 4.320 50 0 EIAARN CCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C ZINC000002331778 563561025 /nfs/dbraw/zinc/56/10/25/563561025.db2.gz GSJZMTNYNNSREY-UHFFFAOYSA-N 0 0 326.421 4.006 50 0 EIAARN CCOc1ccc(-c2ncncc2Oc2cccc(OC)c2)c(O)c1 ZINC000002372748 563565607 /nfs/dbraw/zinc/56/56/07/563565607.db2.gz SYBCGTPBZYEFPM-UHFFFAOYSA-N 0 0 338.363 4.049 50 0 EIAARN O=c1c(Cc2ccccc2)c(O)cc(-c2ccco2)n1-c1ccccc1 ZINC000006557633 563572407 /nfs/dbraw/zinc/57/24/07/563572407.db2.gz PBGSUMRMSPGVHV-UHFFFAOYSA-N 0 0 343.382 4.394 50 0 EIAARN CCCCNC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000071909608 563575111 /nfs/dbraw/zinc/57/51/11/563575111.db2.gz BHJYUJFSDFNIQL-XMMPIXPASA-N 0 0 344.480 4.057 50 0 EIAARN CCc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000006715717 563582342 /nfs/dbraw/zinc/58/23/42/563582342.db2.gz GWOWIQREISZJET-UHFFFAOYSA-N 0 0 343.858 4.257 50 0 EIAARN CCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 ZINC000006728813 563583092 /nfs/dbraw/zinc/58/30/92/563583092.db2.gz URZDXZMNXGJLGB-UHFFFAOYSA-N 0 0 339.420 4.206 50 0 EIAARN Cc1ccc(-n2nnnc2COc2ccc3ccccc3c2)c(C)c1 ZINC000006760054 563585776 /nfs/dbraw/zinc/58/57/76/563585776.db2.gz ACUDVVJUIWMWPX-UHFFFAOYSA-N 0 0 330.391 4.011 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccccn2)cs1 ZINC000006790490 563586742 /nfs/dbraw/zinc/58/67/42/563586742.db2.gz TWCJLHWEKZGKHD-UHFFFAOYSA-N 0 0 347.802 4.179 50 0 EIAARN CSc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000006823436 563587886 /nfs/dbraw/zinc/58/78/86/563587886.db2.gz ZJARZYJNVSBADE-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN COc1cccc(/C=C/C(=O)Nc2cccc(Br)c2C)c1 ZINC000006825130 563587917 /nfs/dbraw/zinc/58/79/17/563587917.db2.gz FHQMMWMLHYITMC-MDZDMXLPSA-N 0 0 346.224 4.418 50 0 EIAARN O[C@@]1(c2ccccc2)[C@@H](c2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000006864517 563589347 /nfs/dbraw/zinc/58/93/47/563589347.db2.gz XQYDCDIWHVZGRN-VJBWXMMDSA-N 0 0 330.427 4.340 50 0 EIAARN CCc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 ZINC000006957112 563592258 /nfs/dbraw/zinc/59/22/58/563592258.db2.gz JEIDKFSOXWJJPO-UHFFFAOYSA-N 0 0 344.499 4.299 50 0 EIAARN O=c1nc(C(Cl)=Cc2cccc(F)c2)[nH]c2sc3c(c21)CCC3 ZINC000007488883 563603193 /nfs/dbraw/zinc/60/31/93/563603193.db2.gz ZNRCXSGBPVDTGO-WQLSENKSSA-N 0 0 346.814 4.349 50 0 EIAARN O=C(NCc1ccccc1)[C@H](Sc1ccccn1)c1ccccc1 ZINC000007498937 563603217 /nfs/dbraw/zinc/60/32/17/563603217.db2.gz LWFNVDODTLCSHE-LJQANCHMSA-N 0 0 334.444 4.231 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(C)c3C)nc2c1 ZINC000002742663 563611228 /nfs/dbraw/zinc/61/12/28/563611228.db2.gz XAVWJFLOVMIYNX-UHFFFAOYSA-N 0 0 325.437 4.219 50 0 EIAARN COc1cc2c(cc1NC(=O)c1c(C)nn(C)c1C)oc1ccccc12 ZINC000002747965 563611735 /nfs/dbraw/zinc/61/17/35/563611735.db2.gz FRDRZMJADQRXIC-UHFFFAOYSA-N 0 0 349.390 4.197 50 0 EIAARN CC[C@@H](C(=O)Nc1nnc(CC2CCCC2)s1)c1ccccc1 ZINC000002789415 563613453 /nfs/dbraw/zinc/61/34/53/563613453.db2.gz YNSVFQBJZPHKJW-OAHLLOKOSA-N 0 0 329.469 4.403 50 0 EIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(C)cc(C)c1 ZINC000007759906 563613475 /nfs/dbraw/zinc/61/34/75/563613475.db2.gz BECHSXCPYUCIDO-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(C)cc1C ZINC000007759942 563613526 /nfs/dbraw/zinc/61/35/26/563613526.db2.gz KTDCBILXVCHGBG-UHFFFAOYSA-N 0 0 349.434 4.324 50 0 EIAARN Cc1ccc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)cc1 ZINC000002792673 563616241 /nfs/dbraw/zinc/61/62/41/563616241.db2.gz JZMCJHMWRIWLIN-UHFFFAOYSA-N 0 0 334.347 4.458 50 0 EIAARN COc1ccccc1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000002827500 563617259 /nfs/dbraw/zinc/61/72/59/563617259.db2.gz NCVJKQLTPTWCRL-UHFFFAOYSA-N 0 0 336.416 4.170 50 0 EIAARN CCOC(=O)CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000002808244 563617514 /nfs/dbraw/zinc/61/75/14/563617514.db2.gz UPYPZIYOUJJQNC-UHFFFAOYSA-N 0 0 343.235 4.106 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)s1 ZINC000010593083 563621405 /nfs/dbraw/zinc/62/14/05/563621405.db2.gz ANOPEEDTHSTEGG-UHFFFAOYSA-N 0 0 334.828 4.089 50 0 EIAARN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1 ZINC000008160924 563622824 /nfs/dbraw/zinc/62/28/24/563622824.db2.gz LZQCCCYCMFTPRF-KRWDZBQOSA-N 0 0 331.799 4.150 50 0 EIAARN Cc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)oc1C ZINC000008333677 563627160 /nfs/dbraw/zinc/62/71/60/563627160.db2.gz QLENYTLLQNVGTM-UHFFFAOYSA-N 0 0 331.224 4.329 50 0 EIAARN O=C(NCc1ccco1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000008383070 563628632 /nfs/dbraw/zinc/62/86/32/563628632.db2.gz BVORLNKEMNGXQM-UHFFFAOYSA-N 0 0 339.778 4.094 50 0 EIAARN Cc1ccccc1-c1nn2c(CSc3ccccc3)nnc2s1 ZINC000008393095 563629061 /nfs/dbraw/zinc/62/90/61/563629061.db2.gz HPCNTYFUSVQWOJ-UHFFFAOYSA-N 0 0 338.461 4.454 50 0 EIAARN Fc1ccc(-c2nn3c(CSc4ccccc4)nnc3s2)cc1 ZINC000008393125 563629359 /nfs/dbraw/zinc/62/93/59/563629359.db2.gz MGRBDZMUXIUOIY-UHFFFAOYSA-N 0 0 342.424 4.284 50 0 EIAARN O=C(NCc1cccs1)c1ccc(OCCc2ccccc2)cc1 ZINC000008564312 563632567 /nfs/dbraw/zinc/63/25/67/563632567.db2.gz SJMQMNBINQYBDY-UHFFFAOYSA-N 0 0 337.444 4.300 50 0 EIAARN CCc1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cnn1-c1ccccn1 ZINC000008715258 563637005 /nfs/dbraw/zinc/63/70/05/563637005.db2.gz BDEQGQKKCBOACC-UHFFFAOYSA-N 0 0 348.450 4.380 50 0 EIAARN COCc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000559158149 563645683 /nfs/dbraw/zinc/64/56/83/563645683.db2.gz RXHJJJOAWLXHFJ-ZDUSSCGKSA-N 0 0 345.393 4.429 50 0 EIAARN Cc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl ZINC000012042859 563652587 /nfs/dbraw/zinc/65/25/87/563652587.db2.gz OVHUVRXCLQHMCF-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN COc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000032593467 563662683 /nfs/dbraw/zinc/66/26/83/563662683.db2.gz IXACPQWZPVRTAH-AWEZNQCLSA-N 0 0 348.446 4.231 50 0 EIAARN CN(Cc1nc(-c2cccs2)no1)[C@H]1CCCc2ccccc21 ZINC000012715786 563669050 /nfs/dbraw/zinc/66/90/50/563669050.db2.gz BTHGQLVYPPMODL-HNNXBMFYSA-N 0 0 325.437 4.308 50 0 EIAARN O=C(c1cccc(Oc2cnccn2)c1)N1CCCc2ccc(F)cc21 ZINC000134476738 563670580 /nfs/dbraw/zinc/67/05/80/563670580.db2.gz ROJUOQGYBZAIFB-UHFFFAOYSA-N 0 0 349.365 4.001 50 0 EIAARN CCc1ccc([C@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)cc1 ZINC000012793252 563671906 /nfs/dbraw/zinc/67/19/06/563671906.db2.gz SDDUJUBMPTYJCA-GJZGRUSLSA-N 0 0 342.508 4.107 50 0 EIAARN CCOc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000012792667 563672039 /nfs/dbraw/zinc/67/20/39/563672039.db2.gz HTNWCJWOJNILHQ-UHFFFAOYSA-N 0 0 344.461 4.452 50 0 EIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2cccnc21 ZINC000012795781 563672773 /nfs/dbraw/zinc/67/27/73/563672773.db2.gz FMDNVJZOALACSA-UHFFFAOYSA-N 0 0 330.309 4.184 50 0 EIAARN C[C@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012797360 563673070 /nfs/dbraw/zinc/67/30/70/563673070.db2.gz BSDOLIFWSADWTP-ZDUSSCGKSA-N 0 0 343.398 4.307 50 0 EIAARN CN(Cc1nc2ccccc2[nH]1)c1ncc(C(F)(F)F)cc1Cl ZINC000012804444 563674154 /nfs/dbraw/zinc/67/41/54/563674154.db2.gz NWMYYLQDBPDTSP-UHFFFAOYSA-N 0 0 340.736 4.267 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCCCC2=O)cc1 ZINC000032644341 563674875 /nfs/dbraw/zinc/67/48/75/563674875.db2.gz AACWINAVFGDOIR-UHFFFAOYSA-N 0 0 342.826 4.105 50 0 EIAARN COc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1F ZINC000012822964 563675256 /nfs/dbraw/zinc/67/52/56/563675256.db2.gz NYENHJPGUYOWBT-UHFFFAOYSA-N 0 0 339.395 4.056 50 0 EIAARN Clc1ccc(OCCSc2nnc(C3CC3)[nH]2)c(Cl)c1 ZINC000012862129 563675923 /nfs/dbraw/zinc/67/59/23/563675923.db2.gz OHUCIOJFFYWQOK-UHFFFAOYSA-N 0 0 330.240 4.160 50 0 EIAARN CCOc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000012906142 563676664 /nfs/dbraw/zinc/67/66/64/563676664.db2.gz TXMULGFVWLCDFM-AWEZNQCLSA-N 0 0 339.391 4.088 50 0 EIAARN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 ZINC000032656457 563676673 /nfs/dbraw/zinc/67/66/73/563676673.db2.gz OTROWJPKZNZGGX-KSSFIOAISA-N 0 0 328.456 4.124 50 0 EIAARN Cc1cc(C)n(CCCNC(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000032675715 563677496 /nfs/dbraw/zinc/67/74/96/563677496.db2.gz PQCAIFYZTFXWTF-UHFFFAOYSA-N 0 0 339.483 4.368 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cccc(Cl)c1)O[C@@H](C)C2 ZINC000012975610 563680443 /nfs/dbraw/zinc/68/04/43/563680443.db2.gz RUSCSBGRQSRWBP-NSHDSACASA-N 0 0 331.799 4.314 50 0 EIAARN CCOc1ncccc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000012976679 563680568 /nfs/dbraw/zinc/68/05/68/563680568.db2.gz YBYALGCGCXKVPW-AWEZNQCLSA-N 0 0 348.855 4.101 50 0 EIAARN COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000012987356 563682397 /nfs/dbraw/zinc/68/23/97/563682397.db2.gz FTKDYCVIQZEDIS-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)c(F)c1 ZINC000013000340 563684530 /nfs/dbraw/zinc/68/45/30/563684530.db2.gz LHVICHBONGHKTN-UHFFFAOYSA-N 0 0 331.347 4.044 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000013002615 563684821 /nfs/dbraw/zinc/68/48/21/563684821.db2.gz NDPOCTGNEOCIHB-UHFFFAOYSA-N 0 0 328.437 4.017 50 0 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Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1c(C)cccc1C(C)C ZINC000014739437 563764129 /nfs/dbraw/zinc/76/41/29/563764129.db2.gz DCWFASKPVHZVPW-UHFFFAOYSA-N 0 0 345.464 4.083 50 0 EIAARN CSc1ccc(C(=O)[C@H]2CCCN(Cc3cnc(C)s3)C2)cc1 ZINC000014951528 563768112 /nfs/dbraw/zinc/76/81/12/563768112.db2.gz ANRSDSQEEIUXHV-HNNXBMFYSA-N 0 0 346.521 4.268 50 0 EIAARN Cc1ccccc1CC[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 ZINC000014979755 563770001 /nfs/dbraw/zinc/77/00/01/563770001.db2.gz BTHNGCPSLGVCOF-FQEVSTJZSA-N 0 0 336.479 4.194 50 0 EIAARN Cc1cccc(C[C@H]2c3cc(Br)ccc3N(C)C2=O)c1 ZINC000015017835 563773280 /nfs/dbraw/zinc/77/32/80/563773280.db2.gz OFGYUTVRNNCUIU-HNNXBMFYSA-N 0 0 330.225 4.060 50 0 EIAARN Clc1ccccc1[C@@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000015069355 563775523 /nfs/dbraw/zinc/77/55/23/563775523.db2.gz YEWIRJOZHOFVQG-OAHLLOKOSA-N 0 0 339.826 4.380 50 0 EIAARN O=C1C[C@H](c2cccc(F)c2)c2sc(Nc3ccccc3)nc2N1 ZINC000015110016 563778318 /nfs/dbraw/zinc/77/83/18/563778318.db2.gz BKOGAQMXKCKQOR-CQSZACIVSA-N 0 0 339.395 4.500 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(C)c(F)c1 ZINC000015123090 563778835 /nfs/dbraw/zinc/77/88/35/563778835.db2.gz DSMVZWVWIZKXCM-UHFFFAOYSA-N 0 0 336.794 4.155 50 0 EIAARN COc1ccc2cc(COC(=O)c3cccs3)c(Cl)nc2c1 ZINC000015156183 563779191 /nfs/dbraw/zinc/77/91/91/563779191.db2.gz GIICQQLRQFIFMP-UHFFFAOYSA-N 0 0 333.796 4.315 50 0 EIAARN COc1ccccc1N=C1NN=C(c2ccc(C)c(C)c2)CS1 ZINC000015405249 563784253 /nfs/dbraw/zinc/78/42/53/563784253.db2.gz LLSJMXFSWYHGSS-UHFFFAOYSA-N 0 0 325.437 4.231 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000032899618 563785567 /nfs/dbraw/zinc/78/55/67/563785567.db2.gz NKCGAJFMJYHMNE-UHFFFAOYSA-N 0 0 349.434 4.001 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000015525372 563786065 /nfs/dbraw/zinc/78/60/65/563786065.db2.gz KLOJYXWANZDYOG-GOSISDBHSA-N 0 0 337.419 4.052 50 0 EIAARN Cc1nc2cc(NC(=O)CCC(=O)c3cc(C)ccc3C)ccc2o1 ZINC000015567423 563787215 /nfs/dbraw/zinc/78/72/15/563787215.db2.gz YSNSFJSWCHWUSC-UHFFFAOYSA-N 0 0 336.391 4.355 50 0 EIAARN O=C(Nc1ccc2ccccc2n1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000032903165 563790291 /nfs/dbraw/zinc/79/02/91/563790291.db2.gz SZTWKHPXDXNOKE-GOSISDBHSA-N 0 0 348.402 4.045 50 0 EIAARN O=C(CCCOc1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000032906288 563792555 /nfs/dbraw/zinc/79/25/55/563792555.db2.gz OTTGFPLRWQEKBA-UHFFFAOYSA-N 0 0 331.431 4.070 50 0 EIAARN COc1ccc(CCN(C)C(=O)c2cccc3ccccc32)cc1OC ZINC000015846483 563796262 /nfs/dbraw/zinc/79/62/62/563796262.db2.gz DVDIIPQLDCMPFY-UHFFFAOYSA-N 0 0 349.430 4.172 50 0 EIAARN CCc1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000015860735 563797025 /nfs/dbraw/zinc/79/70/25/563797025.db2.gz ARPGSWAARADVQH-AWEZNQCLSA-N 0 0 344.842 4.000 50 0 EIAARN Cc1noc2ncc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cc12 ZINC000032908276 563800100 /nfs/dbraw/zinc/80/01/00/563800100.db2.gz UFYFUOPSFLPULG-UHFFFAOYSA-N 0 0 337.423 4.101 50 0 EIAARN CCCCOc1ccc(Cc2c(=O)[nH]c(=S)[nH]c2COCC)cc1 ZINC000015985271 563801623 /nfs/dbraw/zinc/80/16/23/563801623.db2.gz 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/nfs/dbraw/zinc/81/13/75/563811375.db2.gz KSPBRCBUUUSMQV-UHFFFAOYSA-N 0 0 341.451 4.346 50 0 EIAARN C[C@@H]1CN(C(=O)c2sc3cccc(Cl)c3c2Cl)C[C@@H](C)O1 ZINC000016580444 563815476 /nfs/dbraw/zinc/81/54/76/563815476.db2.gz YPJQTWUTFIAZJE-RKDXNWHRSA-N 0 0 344.263 4.458 50 0 EIAARN CSc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000016623266 563817722 /nfs/dbraw/zinc/81/77/22/563817722.db2.gz NWWQVVXORJACNE-OAHLLOKOSA-N 0 0 328.481 4.176 50 0 EIAARN CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2cc(C)ccc2C)cc1 ZINC000016655644 563819348 /nfs/dbraw/zinc/81/93/48/563819348.db2.gz UNUMXHYLJUXLKU-HNNXBMFYSA-N 0 0 341.476 4.476 50 0 EIAARN CC(C)C[C@H](NC(=O)CCc1cccs1)c1nc2ccccc2[nH]1 ZINC000016967599 563827540 /nfs/dbraw/zinc/82/75/40/563827540.db2.gz ICSUXZIWHKCVMI-KRWDZBQOSA-N 0 0 341.480 4.461 50 0 EIAARN COc1ccc(CNc2nc(-c3oc(C)nc3C)cs2)cc1OC ZINC000268717348 563828460 /nfs/dbraw/zinc/82/84/60/563828460.db2.gz GQBLTABVTCPNJQ-UHFFFAOYSA-N 0 0 345.424 4.044 50 0 EIAARN CCCCC[C@H](C)NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000017068455 563832345 /nfs/dbraw/zinc/83/23/45/563832345.db2.gz QIRQFUZCEDDFDO-ZDUSSCGKSA-N 0 0 332.469 4.357 50 0 EIAARN Cc1cccc(-c2cc(C3N=NC(=S)N3C)c3ccccc3n2)c1 ZINC000017068419 563832390 /nfs/dbraw/zinc/83/23/90/563832390.db2.gz GHMNBCGJXLAWNV-UHFFFAOYSA-N 0 0 332.432 4.294 50 0 EIAARN Cc1ccc(CNC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000017069695 563832712 /nfs/dbraw/zinc/83/27/12/563832712.db2.gz CBBHRUGDDACWHW-UHFFFAOYSA-N 0 0 347.256 4.099 50 0 EIAARN Cc1ccnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 ZINC000017070650 563833211 /nfs/dbraw/zinc/83/32/11/563833211.db2.gz MXYQMKTWKBYNBG-QGZVFWFLSA-N 0 0 335.432 4.257 50 0 EIAARN Cc1ccc(Cl)c(OC(C)(C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000017071071 563833930 /nfs/dbraw/zinc/83/39/30/563833930.db2.gz OYHMTBLFTJDTKC-UHFFFAOYSA-N 0 0 339.222 4.493 50 0 EIAARN CCn1ncc(CN(C)Cc2csc(-c3ccc(C)cc3)n2)c1C ZINC000017071294 563834172 /nfs/dbraw/zinc/83/41/72/563834172.db2.gz HLOUYHCVJHHNPT-UHFFFAOYSA-N 0 0 340.496 4.275 50 0 EIAARN Cc1ccccc1Cn1ccc(NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000017071171 563834199 /nfs/dbraw/zinc/83/41/99/563834199.db2.gz FXEYNPQDQYHDEV-UHFFFAOYSA-N 0 0 339.826 4.074 50 0 EIAARN Fc1ccc(CNC(=S)NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000017071629 563835006 /nfs/dbraw/zinc/83/50/06/563835006.db2.gz ZVKOSNTWDDPOKO-UHFFFAOYSA-N 0 0 343.254 4.297 50 0 EIAARN CC1=NN(c2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CC1 ZINC000032926785 563836376 /nfs/dbraw/zinc/83/63/76/563836376.db2.gz FZZFUQCBTWZNAR-HXUWFJFHSA-N 0 0 333.435 4.250 50 0 EIAARN Cc1ccccc1Nc1nc(NCc2ccccc2)nc2c1cnn2C ZINC000017136032 563838088 /nfs/dbraw/zinc/83/80/88/563838088.db2.gz YNVVVGLRZPUXCY-UHFFFAOYSA-N 0 0 344.422 4.027 50 0 EIAARN O=C(Cc1cccc2ccccc21)Nc1cccc(C2OCCCO2)c1 ZINC000017167311 563839095 /nfs/dbraw/zinc/83/90/95/563839095.db2.gz PCJDSYCOEBZHMS-UHFFFAOYSA-N 0 0 347.414 4.457 50 0 EIAARN Cc1ccc(-c2nn(CN([C@H](C)C(C)C)C3CC3)c(=S)[nH]2)cc1 ZINC000032932601 563842924 /nfs/dbraw/zinc/84/29/24/563842924.db2.gz LRIIFTQJJFJGSG-CQSZACIVSA-N 0 0 330.501 4.383 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2csc3ccccc23)CC1 ZINC000020418734 563858934 /nfs/dbraw/zinc/85/89/34/563858934.db2.gz DIEIOJULIFHIJD-UHFFFAOYSA-N 0 0 336.460 4.172 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3N2CCC(C)CC2)cc1Cl ZINC000020662142 563859728 /nfs/dbraw/zinc/85/97/28/563859728.db2.gz FEYIZNKSAHJQSO-UHFFFAOYSA-N 0 0 341.846 4.014 50 0 EIAARN Cc1ccc(C(=O)c2sc(Nc3cccc(F)c3)nc2N)c(C)c1 ZINC000032947874 563864711 /nfs/dbraw/zinc/86/47/11/563864711.db2.gz BGQKFFJSEUXTJE-UHFFFAOYSA-N 0 0 341.411 4.456 50 0 EIAARN Cc1ccc(C(C)C)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000005968099 563866486 /nfs/dbraw/zinc/86/64/86/563866486.db2.gz ZDOYPOMEISNALF-PKOBYXMFSA-N 0 0 327.468 4.209 50 0 EIAARN COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000006182169 563867562 /nfs/dbraw/zinc/86/75/62/563867562.db2.gz UBMNDTYURMZGGN-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN c1ccc2sc(-c3cc(N4CCOCC4)nc4ccccc43)nc2c1 ZINC000023956362 563867862 /nfs/dbraw/zinc/86/78/62/563867862.db2.gz FPKIVJDAWBHRQY-UHFFFAOYSA-N 0 0 347.443 4.348 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)c1 ZINC000024375720 563871038 /nfs/dbraw/zinc/87/10/38/563871038.db2.gz MIFRBBYYIKMJDY-UHFFFAOYSA-N 0 0 342.826 4.359 50 0 EIAARN COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000024452541 563871609 /nfs/dbraw/zinc/87/16/09/563871609.db2.gz NTHUFTYPDBSHDB-LBPRGKRZSA-N 0 0 333.815 4.190 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000024503450 563872015 /nfs/dbraw/zinc/87/20/15/563872015.db2.gz IFOORGNGIWLMLE-ZDUSSCGKSA-N 0 0 347.374 4.444 50 0 EIAARN CCc1c(C(=O)Nc2ccccc2F)cnn1-c1cccc(Cl)c1 ZINC000024489330 563872020 /nfs/dbraw/zinc/87/20/20/563872020.db2.gz JRALQBYBRIJLMK-UHFFFAOYSA-N 0 0 343.789 4.480 50 0 EIAARN Cc1ccnc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 ZINC000024580979 563872893 /nfs/dbraw/zinc/87/28/93/563872893.db2.gz ZVSIHISJFARHSC-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN Cc1ccc(SCCNC(=O)CSCc2ccccc2)cc1 ZINC000024605892 563873192 /nfs/dbraw/zinc/87/31/92/563873192.db2.gz FHBFEZAZIVBUTA-UHFFFAOYSA-N 0 0 331.506 4.137 50 0 EIAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000024613955 563873391 /nfs/dbraw/zinc/87/33/91/563873391.db2.gz ILMXVOAMFQYBCD-UHFFFAOYSA-N 0 0 345.464 4.208 50 0 EIAARN CCOc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)cc1 ZINC000024772792 563875436 /nfs/dbraw/zinc/87/54/36/563875436.db2.gz WBCZMDFICMSCAW-UHFFFAOYSA-N 0 0 335.407 4.140 50 0 EIAARN C[C@@H](Sc1nc2ccccc2o1)C(=O)N1CCCc2ccccc21 ZINC000010963314 563877569 /nfs/dbraw/zinc/87/75/69/563877569.db2.gz BEUFSVMDTZNONU-CYBMUJFWSA-N 0 0 338.432 4.288 50 0 EIAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cccc3c(C)c(C)[nH]c32)c1 ZINC000024914076 563877611 /nfs/dbraw/zinc/87/76/11/563877611.db2.gz RVBLLIJVLJSMIF-CQSZACIVSA-N 0 0 349.434 4.234 50 0 EIAARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3CCC(C)CC3)c12 ZINC000025050100 563880325 /nfs/dbraw/zinc/88/03/25/563880325.db2.gz RDIZHXHUFLSLNL-UHFFFAOYSA-N 0 0 349.434 4.379 50 0 EIAARN O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)c(F)cc1Cl ZINC000025060467 563880593 /nfs/dbraw/zinc/88/05/93/563880593.db2.gz BSOPOXJDYVOOHC-QPUJVOFHSA-N 0 0 341.707 4.469 50 0 EIAARN CN(Cc1ccsc1)C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000025065525 563880784 /nfs/dbraw/zinc/88/07/84/563880784.db2.gz XMZWUZLSTRYVCZ-UHFFFAOYSA-N 0 0 331.828 4.064 50 0 EIAARN C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(F)c1 ZINC000025213968 563882234 /nfs/dbraw/zinc/88/22/34/563882234.db2.gz CVGHJTKDZQMWIK-JTQLQIEISA-N 0 0 342.292 4.163 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000025375201 563884043 /nfs/dbraw/zinc/88/40/43/563884043.db2.gz BWTRTHZLMOJYHD-ZIAGYGMSSA-N 0 0 349.418 4.011 50 0 EIAARN CCOc1ccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)cc1 ZINC000013483416 563884408 /nfs/dbraw/zinc/88/44/08/563884408.db2.gz RJOUAEBGYXEXLO-UHFFFAOYSA-N 0 0 338.436 4.284 50 0 EIAARN COc1ccc(C(C)=O)cc1CN1CCCc2cc(F)cc(F)c21 ZINC000026725727 563892784 /nfs/dbraw/zinc/89/27/84/563892784.db2.gz FDVZUJPWDATJSO-UHFFFAOYSA-N 0 0 331.362 4.129 50 0 EIAARN CCn1c(C)cc(C(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c1C ZINC000027076843 563894498 /nfs/dbraw/zinc/89/44/98/563894498.db2.gz WMLDWDVJOKVEGB-UHFFFAOYSA-N 0 0 349.406 4.254 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1OC(F)F ZINC000027358969 563895302 /nfs/dbraw/zinc/89/53/02/563895302.db2.gz AIWYZKLPLMRURD-OAHLLOKOSA-N 0 0 335.350 4.178 50 0 EIAARN Cc1ccc(-c2nsc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000027583454 563897168 /nfs/dbraw/zinc/89/71/68/563897168.db2.gz VENVCIPCGZDGNX-UHFFFAOYSA-N 0 0 343.839 4.348 50 0 EIAARN CCc1ccc(O)c(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)c1 ZINC000027663691 563898373 /nfs/dbraw/zinc/89/83/73/563898373.db2.gz OXGAQBIKFUFMGB-UHFFFAOYSA-N 0 0 341.798 4.250 50 0 EIAARN CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000027671615 563898803 /nfs/dbraw/zinc/89/88/03/563898803.db2.gz CUFQCWVRNFAPPB-ZETCQYMHSA-N 0 0 344.267 4.291 50 0 EIAARN CCOc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)c1 ZINC000027994599 563901095 /nfs/dbraw/zinc/90/10/95/563901095.db2.gz RKFXYFOXBVGPRW-UHFFFAOYSA-N 0 0 326.327 4.132 50 0 EIAARN COc1cccc(CSc2nnc3cc(C)c4ccccc4n32)c1 ZINC000028850383 563904268 /nfs/dbraw/zinc/90/42/68/563904268.db2.gz SYPCABASSCONFE-UHFFFAOYSA-N 0 0 335.432 4.492 50 0 EIAARN COc1ccc(NC(=O)c2cccc3ncccc32)cc1OC(F)F ZINC000029200438 563905288 /nfs/dbraw/zinc/90/52/88/563905288.db2.gz GNYSQFIJNBCRQU-UHFFFAOYSA-N 0 0 344.317 4.097 50 0 EIAARN Cc1ccccc1CCNC(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000029338096 563905850 /nfs/dbraw/zinc/90/58/50/563905850.db2.gz RKYGDQYIZMUEKP-OAQYLSRUSA-N 0 0 345.446 4.021 50 0 EIAARN O=C(COc1cccc(F)c1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000029354680 563905870 /nfs/dbraw/zinc/90/58/70/563905870.db2.gz BVIWYSJAFSRTBJ-UHFFFAOYSA-N 0 0 346.358 4.106 50 0 EIAARN O=C(C1CCC(n2cccc2)CC1)N1CCCC[C@H]1c1nccs1 ZINC000072285962 563907372 /nfs/dbraw/zinc/90/73/72/563907372.db2.gz CQODMJBNYHTRJI-JCYILVPMSA-N 0 0 343.496 4.430 50 0 EIAARN CC[C@@](C)(O)CNc1cc(C)nc2c(OC(F)(F)F)cccc12 ZINC000072286878 563907630 /nfs/dbraw/zinc/90/76/30/563907630.db2.gz KBBNKKWQDFBKLT-OAHLLOKOSA-N 0 0 328.334 4.015 50 0 EIAARN Cc1noc(C(C)C)c1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000029676727 563907816 /nfs/dbraw/zinc/90/78/16/563907816.db2.gz ADDRCQRZQVGERQ-UHFFFAOYSA-N 0 0 342.370 4.436 50 0 EIAARN Cc1cccc(-c2noc(CN3CCc4sccc4[C@H]3C)n2)c1 ZINC000029708028 563907998 /nfs/dbraw/zinc/90/79/98/563907998.db2.gz FFTLIXKNHYGWFV-CYBMUJFWSA-N 0 0 325.437 4.226 50 0 EIAARN Cc1noc(C)c1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000029702170 563908052 /nfs/dbraw/zinc/90/80/52/563908052.db2.gz MLIDXKBZYCEVEX-NRFANRHFSA-N 0 0 346.430 4.008 50 0 EIAARN C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2n1C ZINC000072288903 563908512 /nfs/dbraw/zinc/90/85/12/563908512.db2.gz ZFVXJVNBPSJDSS-OAHLLOKOSA-N 0 0 343.430 4.146 50 0 EIAARN Cn1c(=O)c2ccsc2nc1SCc1cccc2ccccc21 ZINC000029864857 563908720 /nfs/dbraw/zinc/90/87/20/563908720.db2.gz KGBZTUXIIGUWSD-UHFFFAOYSA-N 0 0 338.457 4.441 50 0 EIAARN CSCc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)o1 ZINC000029917342 563908894 /nfs/dbraw/zinc/90/88/94/563908894.db2.gz ZHSUYBGESJDZBZ-SNVBAGLBSA-N 0 0 347.465 4.086 50 0 EIAARN Cc1nc(NC(=O)c2ccc3c(c2)OCO3)sc1-c1ccccc1 ZINC000029921681 563908920 /nfs/dbraw/zinc/90/89/20/563908920.db2.gz HCNCGVMTGJALRJ-UHFFFAOYSA-N 0 0 338.388 4.100 50 0 EIAARN COc1ccc2cc(C(=O)N(Cc3cccs3)C3CC3)[nH]c2c1 ZINC000030301650 563909731 /nfs/dbraw/zinc/90/97/31/563909731.db2.gz GVFTTYZWZFMWDU-UHFFFAOYSA-N 0 0 326.421 4.043 50 0 EIAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c3ccccc3nc21 ZINC000030661077 563910221 /nfs/dbraw/zinc/91/02/21/563910221.db2.gz JGIKLYAVACUCHX-UHFFFAOYSA-N 0 0 339.398 4.364 50 0 EIAARN O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072292896 563910345 /nfs/dbraw/zinc/91/03/45/563910345.db2.gz PKACCFLIOCAQCS-KBXCAEBGSA-N 0 0 339.414 4.236 50 0 EIAARN CC(C)c1csc([C@@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n1 ZINC000072300317 563912746 /nfs/dbraw/zinc/91/27/46/563912746.db2.gz ZVVPPADEEGCLSX-CYBMUJFWSA-N 0 0 346.500 4.133 50 0 EIAARN CN(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000072302692 563914264 /nfs/dbraw/zinc/91/42/64/563914264.db2.gz ANMMBZRKODEVEO-FQEVSTJZSA-N 0 0 327.855 4.494 50 0 EIAARN CC[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cnn(CC)c1 ZINC000072305858 563915391 /nfs/dbraw/zinc/91/53/91/563915391.db2.gz JMFIGWCYKPWGQW-AWEZNQCLSA-N 0 0 340.349 4.195 50 0 EIAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 ZINC000071279732 563915444 /nfs/dbraw/zinc/91/54/44/563915444.db2.gz LPNLERWHEAOPKQ-CQSZACIVSA-N 0 0 341.411 4.139 50 0 EIAARN CCCNC(=O)c1cccc(Nc2ccc(-c3ccc(C)cc3)nn2)c1 ZINC000033257970 563915448 /nfs/dbraw/zinc/91/54/48/563915448.db2.gz WWKWJGGGACAYCF-UHFFFAOYSA-N 0 0 346.434 4.335 50 0 EIAARN C[C@H](c1cccc(O)c1)N(C)c1nc(C(F)F)nc2ccccc21 ZINC000072307696 563915868 /nfs/dbraw/zinc/91/58/68/563915868.db2.gz CDJLQWPQOZDEGY-LLVKDONJSA-N 0 0 329.350 4.470 50 0 EIAARN C[C@@](NC(=O)c1cc2ccccc2c(Cl)n1)(C1CC1)C(F)(F)F ZINC000072307903 563915970 /nfs/dbraw/zinc/91/59/70/563915970.db2.gz RXZXNZMVVFVXMO-OAHLLOKOSA-N 0 0 342.748 4.349 50 0 EIAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=S)N(c1nc3ccccc3s1)N2 ZINC000000197215 563917036 /nfs/dbraw/zinc/91/70/36/563917036.db2.gz XYQIHLDLNHFALM-DIFFPNOSSA-N 0 0 346.525 4.038 50 0 EIAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000000505690 563917622 /nfs/dbraw/zinc/91/76/22/563917622.db2.gz VQMUEINBGKKCTI-AWEZNQCLSA-N 0 0 341.407 4.004 50 0 EIAARN C[C@H](SCc1ccccc1)C(=O)N1CC[C@H]1Cc1ccccc1 ZINC000072311741 563920090 /nfs/dbraw/zinc/92/00/90/563920090.db2.gz GRVUBYRKRNDGTC-LPHOPBHVSA-N 0 0 325.477 4.152 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)CN2CCC[C@H]2c2ccccn2)cc1 ZINC000072311938 563920198 /nfs/dbraw/zinc/92/01/98/563920198.db2.gz PLQZZCVBTKEHEP-IBGZPJMESA-N 0 0 337.467 4.155 50 0 EIAARN Cc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccccc2Cl)no1 ZINC000013494884 563920877 /nfs/dbraw/zinc/92/08/77/563920877.db2.gz SHRNPXXYECTCEH-LBPRGKRZSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2Oc3ccccc3[C@H]2C)n1 ZINC000076016984 563921375 /nfs/dbraw/zinc/92/13/75/563921375.db2.gz RFSHLQKWWGPALO-UKPHBRMFSA-N 0 0 342.464 4.070 50 0 EIAARN CCc1csc(-c2ccc(CNC(=O)c3cccs3)cc2)n1 ZINC000097938125 563922737 /nfs/dbraw/zinc/92/27/37/563922737.db2.gz ULKARWWQFJIJEQ-UHFFFAOYSA-N 0 0 328.462 4.364 50 0 EIAARN COc1ccc(C(=O)Nc2cnc(-c3ccc(Cl)cc3)nc2)cc1 ZINC000097938571 563922965 /nfs/dbraw/zinc/92/29/65/563922965.db2.gz ZVCASTFFDNRPSS-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1cc(F)ccc1F ZINC000097938594 563923052 /nfs/dbraw/zinc/92/30/52/563923052.db2.gz FBWLKGNYUATIIL-UHFFFAOYSA-N 0 0 345.736 4.328 50 0 EIAARN CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(C)C ZINC000041095159 563924254 /nfs/dbraw/zinc/92/42/54/563924254.db2.gz BKUOTRHRVVDCQX-HNNXBMFYSA-N 0 0 347.480 4.248 50 0 EIAARN Cc1ccccc1-c1noc(CNC(=O)Nc2cccc(Cl)c2)n1 ZINC000041152431 563924345 /nfs/dbraw/zinc/92/43/45/563924345.db2.gz ALKSDLILNMKWCI-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN Cc1ccc2nc(C)c(C(=O)NCCc3cc(F)cc(F)c3)cc2c1 ZINC000060317783 563925870 /nfs/dbraw/zinc/92/58/70/563925870.db2.gz YBYZNFNTJWRIKM-UHFFFAOYSA-N 0 0 340.373 4.102 50 0 EIAARN CCOc1cccc2cc3c(=O)n(-c4cccc(Cl)c4)nc-3oc21 ZINC000033020929 563929088 /nfs/dbraw/zinc/92/90/88/563929088.db2.gz FBZFBIMMGSJWCT-UHFFFAOYSA-N 0 0 340.766 4.136 50 0 EIAARN Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccnc2)cc1OCC(F)F ZINC000071862744 563929195 /nfs/dbraw/zinc/92/91/95/563929195.db2.gz JYZXUNDCCLIWJB-ZDUSSCGKSA-N 0 0 349.381 4.259 50 0 EIAARN CCC(=O)Nc1cccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1 ZINC000048345305 563930241 /nfs/dbraw/zinc/93/02/41/563930241.db2.gz MBMWQWJIAXEYGG-OXQOHEQNSA-N 0 0 328.456 4.076 50 0 EIAARN c1cnn(Cc2ccccc2-c2nc3c[nH]n(C4CCCCC4)c-3n2)c1 ZINC000048284548 563930255 /nfs/dbraw/zinc/93/02/55/563930255.db2.gz KOBHPGAIIQLVPE-UHFFFAOYSA-N 0 0 346.438 4.176 50 0 EIAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)NC4CC4)c3)n2)c1 ZINC000033025082 563930391 /nfs/dbraw/zinc/93/03/91/563930391.db2.gz HQCHGGDHGJLREN-UHFFFAOYSA-N 0 0 344.418 4.088 50 0 EIAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](C)C(C)(C)C)c12 ZINC000013641990 563931045 /nfs/dbraw/zinc/93/10/45/563931045.db2.gz DOTZFQWEAXDGII-NSHDSACASA-N 0 0 343.452 4.424 50 0 EIAARN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)C1CCCC1 ZINC000071909691 563932022 /nfs/dbraw/zinc/93/20/22/563932022.db2.gz OPJMFONEBCYLHX-HSZRJFAPSA-N 0 0 333.497 4.397 50 0 EIAARN O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000060359647 563933321 /nfs/dbraw/zinc/93/33/21/563933321.db2.gz QASLYNYCWREZIY-UHFFFAOYSA-N 0 0 330.815 4.183 50 0 EIAARN Cc1cnc(NC(=O)c2ccc(N(C)C3CCCCC3)cc2)s1 ZINC000057993306 563936252 /nfs/dbraw/zinc/93/62/52/563936252.db2.gz PXCNHFONDZOZQP-UHFFFAOYSA-N 0 0 329.469 4.473 50 0 EIAARN Cc1ccc(CN(C(=O)Nc2cn[nH]c2)[C@@H]2CCc3ccccc32)cc1 ZINC000058005821 563936513 /nfs/dbraw/zinc/93/65/13/563936513.db2.gz GAILYJUSDFYBEC-HXUWFJFHSA-N 0 0 346.434 4.440 50 0 EIAARN CCc1ccc(-c2noc(CN(C)Cc3ccccc3F)n2)cc1 ZINC000058016123 563936750 /nfs/dbraw/zinc/93/67/50/563936750.db2.gz UKTHNEYAAKFKIU-UHFFFAOYSA-N 0 0 325.387 4.070 50 0 EIAARN CC(C)c1noc(CCCNC(=O)Nc2cccc3ccccc32)n1 ZINC000058053504 563937101 /nfs/dbraw/zinc/93/71/01/563937101.db2.gz HAKQGDDXMGARNS-UHFFFAOYSA-N 0 0 338.411 4.101 50 0 EIAARN CC(=O)Nc1ccc(C)c(NC(=O)c2cc3ccc(C)cc3nc2C)c1 ZINC000058147369 563937928 /nfs/dbraw/zinc/93/79/28/563937928.db2.gz PCICNAYEVUXVQY-UHFFFAOYSA-N 0 0 347.418 4.371 50 0 EIAARN COc1ccc(F)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000058167168 563938727 /nfs/dbraw/zinc/93/87/27/563938727.db2.gz OTGNGBOZFGZICM-UHFFFAOYSA-N 0 0 336.366 4.072 50 0 EIAARN CC/C=C(/C)C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 ZINC000058174141 563938947 /nfs/dbraw/zinc/93/89/47/563938947.db2.gz WVJNONPRHPBEPJ-WCIBSUBMSA-N 0 0 332.400 4.434 50 0 EIAARN CCOc1ccc([C@H]2CC(c3ccc(CC)cc3)=NN2C(C)=O)cc1 ZINC000058196758 563939564 /nfs/dbraw/zinc/93/95/64/563939564.db2.gz OCRPIGWVNWANMA-OAQYLSRUSA-N 0 0 336.435 4.345 50 0 EIAARN Cc1sc(Nc2cnn(C)c2)nc1-c1ccc(Br)cc1 ZINC000058244075 563940583 /nfs/dbraw/zinc/94/05/83/563940583.db2.gz WTJZANMNWFXOTI-UHFFFAOYSA-N 0 0 349.257 4.358 50 0 EIAARN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(Cc1cccnc1)C1CC1 ZINC000058325112 563942541 /nfs/dbraw/zinc/94/25/41/563942541.db2.gz MKOIRZZJRJZYCY-ZWKOTPCHSA-N 0 0 326.827 4.030 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C ZINC000058327071 563942567 /nfs/dbraw/zinc/94/25/67/563942567.db2.gz HACZHFWEGWXYGL-HOCLYGCPSA-N 0 0 325.412 4.222 50 0 EIAARN CCC(=O)Nc1ccc([C@H](C)NC(=O)c2sccc2C2CC2)cc1 ZINC000058330466 563942726 /nfs/dbraw/zinc/94/27/26/563942726.db2.gz PBDBHNGZMLMTQQ-LBPRGKRZSA-N 0 0 342.464 4.465 50 0 EIAARN COCC(=O)Nc1cc(-c2ccc(C)cc2)cc(-c2ccccc2)n1 ZINC000058368985 563943998 /nfs/dbraw/zinc/94/39/98/563943998.db2.gz NVGKWXGDSBVEPY-UHFFFAOYSA-N 0 0 332.403 4.309 50 0 EIAARN CSc1ccc(Cl)c(C(=O)Nc2c(C)cnn2CC2CC2)c1 ZINC000058404806 563944982 /nfs/dbraw/zinc/94/49/82/563944982.db2.gz FZLNHUKZGAHFPV-UHFFFAOYSA-N 0 0 335.860 4.229 50 0 EIAARN Cn1ccnc1[C@@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000058411545 563945236 /nfs/dbraw/zinc/94/52/36/563945236.db2.gz SYEOGWZKYSPBJK-INIZCTEOSA-N 0 0 340.496 4.053 50 0 EIAARN CC[C@@H](C)C(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058419634 563945698 /nfs/dbraw/zinc/94/56/98/563945698.db2.gz VYPNBFGQGDMZEK-GFCCVEGCSA-N 0 0 347.409 4.107 50 0 EIAARN O=C(Nc1ccccc1N1CCCCC1)N1CCc2ccccc2C1 ZINC000058851717 563947258 /nfs/dbraw/zinc/94/72/58/563947258.db2.gz PKTJSGZKRUXHQE-UHFFFAOYSA-N 0 0 335.451 4.267 50 0 EIAARN CCc1nc(CSCc2nnc(-c3cccc(F)c3)o2)cs1 ZINC000096433423 563952865 /nfs/dbraw/zinc/95/28/65/563952865.db2.gz KPURWQXWWHRQHV-UHFFFAOYSA-N 0 0 335.429 4.328 50 0 EIAARN CC(=O)Nc1cccc2c1CCN([C@@H](C)c1ncc(C(C)(C)C)o1)C2 ZINC000096447034 563953394 /nfs/dbraw/zinc/95/33/94/563953394.db2.gz ZYMDZKSEGZQNIV-ZDUSSCGKSA-N 0 0 341.455 4.050 50 0 EIAARN Cc1cccnc1CNC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096447344 563953480 /nfs/dbraw/zinc/95/34/80/563953480.db2.gz WOSCYDYHNBJYFL-MRXNPFEDSA-N 0 0 346.434 4.012 50 0 EIAARN O=C(Nc1nnc(C(F)F)s1)c1ccc(Oc2ccccc2)o1 ZINC000096451197 563953757 /nfs/dbraw/zinc/95/37/57/563953757.db2.gz SMNMMQBIMGKTKN-UHFFFAOYSA-N 0 0 337.307 4.113 50 0 EIAARN Cc1ccccc1CNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033059888 563954675 /nfs/dbraw/zinc/95/46/75/563954675.db2.gz WOJXDPVXXWVUHU-UHFFFAOYSA-N 0 0 347.443 4.325 50 0 EIAARN COCc1ccc([C@@H]2CCCN2C(=O)NC[C@H](C)c2cccs2)o1 ZINC000096503264 563956034 /nfs/dbraw/zinc/95/60/34/563956034.db2.gz WPTDRQWZLFDXQB-ZFWWWQNUSA-N 0 0 348.468 4.138 50 0 EIAARN COc1cccc(CN2CCC[C@H]2c2cc(C(C)C)no2)c1OC ZINC000064667109 563957028 /nfs/dbraw/zinc/95/70/28/563957028.db2.gz JNPRTTLPGOJZPJ-INIZCTEOSA-N 0 0 330.428 4.152 50 0 EIAARN Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000064983883 563957416 /nfs/dbraw/zinc/95/74/16/563957416.db2.gz UVBWLVWORGDJGR-IBGZPJMESA-N 0 0 347.455 4.440 50 0 EIAARN CCc1ccc(-c2c(-c3ccccc3)ncn2CCCn2cncn2)o1 ZINC000065375183 563958767 /nfs/dbraw/zinc/95/87/67/563958767.db2.gz JLULQFFGOWABAM-UHFFFAOYSA-N 0 0 347.422 4.054 50 0 EIAARN CC1=C(C[C@@H]2CC(=O)NCc3nc4sccn4c32)C(C)(C)CCC1 ZINC000065405399 563960105 /nfs/dbraw/zinc/96/01/05/563960105.db2.gz PBUKFLKOBHUETC-CYBMUJFWSA-N 0 0 343.496 4.416 50 0 EIAARN CCC[C@H](C)c1c(-c2ccccc2)ncn1Cc1nnc2n1CCC2 ZINC000065409886 563960415 /nfs/dbraw/zinc/96/04/15/563960415.db2.gz ZGHBPTJPJABHPO-HNNXBMFYSA-N 0 0 335.455 4.040 50 0 EIAARN CCCCC(=O)Nc1ccc(NC(=O)c2cnoc2C2CC2)cc1C ZINC000065490247 563961497 /nfs/dbraw/zinc/96/14/97/563961497.db2.gz BYNPMRYQWYBJMN-UHFFFAOYSA-N 0 0 341.411 4.241 50 0 EIAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1cccc(C)c1C ZINC000033085974 563963476 /nfs/dbraw/zinc/96/34/76/563963476.db2.gz SLHXNJQBLCZPFJ-UHFFFAOYSA-N 0 0 348.450 4.345 50 0 EIAARN CC[C@H](C)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)nn2)cc1 ZINC000033130949 563963658 /nfs/dbraw/zinc/96/36/58/563963658.db2.gz JILSYVVEYYAZJM-HNNXBMFYSA-N 0 0 347.418 4.464 50 0 EIAARN CCc1nc2ccccc2c(OCC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000033141690 563963953 /nfs/dbraw/zinc/96/39/53/563963953.db2.gz PDYBACOXKURJSS-UHFFFAOYSA-N 0 0 349.434 4.333 50 0 EIAARN CC(C)c1noc(CCC(=O)N2CC[C@H](C)Sc3ccccc32)n1 ZINC000033163001 563964047 /nfs/dbraw/zinc/96/40/47/563964047.db2.gz NKPUNFFYAHIQNC-ZDUSSCGKSA-N 0 0 345.468 4.043 50 0 EIAARN CCCn1nccc1C(=O)N1CCC[C@@H](CCc2ccccc2C)C1 ZINC000071385660 563964267 /nfs/dbraw/zinc/96/42/67/563964267.db2.gz AZYUGBNJIUVKTL-SFHVURJKSA-N 0 0 339.483 4.087 50 0 EIAARN Cc1nc(-c2ccc(-n3ccnc3[C@H](C)c3ccccc3)cc2)n[nH]1 ZINC000071753998 563965249 /nfs/dbraw/zinc/96/52/49/563965249.db2.gz OQDQQQCKXXGDCS-CQSZACIVSA-N 0 0 329.407 4.118 50 0 EIAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cccc(O)c2C)C1 ZINC000071767554 563965590 /nfs/dbraw/zinc/96/55/90/563965590.db2.gz CXXCWSOGEWMWRC-GOSISDBHSA-N 0 0 337.463 4.494 50 0 EIAARN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)n1C ZINC000033232488 563965912 /nfs/dbraw/zinc/96/59/12/563965912.db2.gz DPLQJWABVHHCDL-HNNXBMFYSA-N 0 0 339.464 4.311 50 0 EIAARN CSc1nc(C(=O)N[C@@H](C)c2cc(C)sc2C)c2ccccn12 ZINC000060563841 563965923 /nfs/dbraw/zinc/96/59/23/563965923.db2.gz BTECEOWYXYXOJJ-NSHDSACASA-N 0 0 345.493 4.226 50 0 EIAARN Cc1ccc(/C=C/C(=O)Nc2ccnn2Cc2cccs2)s1 ZINC000060594701 563966109 /nfs/dbraw/zinc/96/61/09/563966109.db2.gz WICPLHGDCGMXBQ-VOTSOKGWSA-N 0 0 329.450 4.015 50 0 EIAARN Cc1ccc(-c2nc3c(s2)CN(C(=O)c2ccccc2)CC3)cc1 ZINC000033255894 563966145 /nfs/dbraw/zinc/96/61/45/563966145.db2.gz KWUKITKVGWLXCC-UHFFFAOYSA-N 0 0 334.444 4.317 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3Cl)cc2)no1 ZINC000033257389 563966208 /nfs/dbraw/zinc/96/62/08/563966208.db2.gz ICQHHQOLYHEUNP-UHFFFAOYSA-N 0 0 346.749 4.482 50 0 EIAARN Cc1nc(C[S@@](=O)[C@@H](C)c2cccc(Br)c2)oc1C ZINC000097083664 563967185 /nfs/dbraw/zinc/96/71/85/563967185.db2.gz MYBZZXYOPQZSBF-WLRWDXFRSA-N 0 0 342.258 4.064 50 0 EIAARN Cc1nc(C[S@@](=O)[C@@H](C)c2ccc(OC(F)(F)F)cc2)oc1C ZINC000097083623 563967329 /nfs/dbraw/zinc/96/73/29/563967329.db2.gz JWGYHGXDZOPSCD-RULNZOCKSA-N 0 0 347.358 4.200 50 0 EIAARN CC(=O)Nc1ccc(F)c(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000097098821 563967448 /nfs/dbraw/zinc/96/74/48/563967448.db2.gz DUDVHJXUBHFRCL-KPZWWZAWSA-N 0 0 341.386 4.009 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)cc1C)[NH2+]CC2 ZINC000000034545 563967811 /nfs/dbraw/zinc/96/78/11/563967811.db2.gz XCIQZOZFZZVHLG-OAQYLSRUSA-N 0 0 325.452 4.336 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000000035356 563968045 /nfs/dbraw/zinc/96/80/45/563968045.db2.gz ZGWIFYYJEIUPRL-HNNXBMFYSA-N 0 0 326.421 4.401 50 0 EIAARN O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2sncc2c1 ZINC000097165546 563968529 /nfs/dbraw/zinc/96/85/29/563968529.db2.gz CTNCIZLQGUBHBD-UHFFFAOYSA-N 0 0 348.431 4.053 50 0 EIAARN O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCCC[C@H]1c1nccs1 ZINC000247349473 563968649 /nfs/dbraw/zinc/96/86/49/563968649.db2.gz JPGNXSCXHLUVHX-GUTXKFCHSA-N 0 0 348.418 4.279 50 0 EIAARN CCc1ccc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000077285943 563968680 /nfs/dbraw/zinc/96/86/80/563968680.db2.gz AXZXBZFKZBCORE-OAQYLSRUSA-N 0 0 349.474 4.303 50 0 EIAARN Cc1ccccc1SC1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000077354416 563969113 /nfs/dbraw/zinc/96/91/13/563969113.db2.gz ZFMFIWPUQPOECK-UHFFFAOYSA-N 0 0 327.449 4.098 50 0 EIAARN Cc1ncsc1CCC(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077386149 563969326 /nfs/dbraw/zinc/96/93/26/563969326.db2.gz ULRSYRIREAATKP-INIZCTEOSA-N 0 0 332.444 4.277 50 0 EIAARN CN(C(=O)c1ccc(-c2cc[nH]n2)cc1)[C@H]1CCCc2ccccc21 ZINC000077390529 563969380 /nfs/dbraw/zinc/96/93/80/563969380.db2.gz XERNQPRPGOCWFF-FQEVSTJZSA-N 0 0 331.419 4.226 50 0 EIAARN CC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@H]2c2cccc(F)c2)c1C ZINC000077422375 563969569 /nfs/dbraw/zinc/96/95/69/563969569.db2.gz IBHLHMUSEHIDDO-KRWDZBQOSA-N 0 0 342.414 4.341 50 0 EIAARN Cc1ncc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)c(C)n1 ZINC000077486631 563969961 /nfs/dbraw/zinc/96/99/61/563969961.db2.gz VMCXNGWZDDORHV-UHFFFAOYSA-N 0 0 347.418 4.158 50 0 EIAARN FC(F)(F)c1ccccc1-c1nccn1CC1(Cn2ccnc2)CC1 ZINC000077517268 563970178 /nfs/dbraw/zinc/97/01/78/563970178.db2.gz WMRUHLUFMBGRHP-UHFFFAOYSA-N 0 0 346.356 4.246 50 0 EIAARN Cc1ccc(CN(C(=O)c2cnn(C(C)C)c2)C2CCCC2)s1 ZINC000077537474 563970198 /nfs/dbraw/zinc/97/01/98/563970198.db2.gz VSSLCVCKZBCCQT-UHFFFAOYSA-N 0 0 331.485 4.419 50 0 EIAARN O=C(c1cnn2ccccc12)N1CCCC[C@H]1CCc1cccs1 ZINC000082092383 563972088 /nfs/dbraw/zinc/97/20/88/563972088.db2.gz FFWXCSVXPRILQX-HNNXBMFYSA-N 0 0 339.464 4.023 50 0 EIAARN C[C@@H](c1cncs1)N(C)C(=O)c1csc(Cc2ccccc2)n1 ZINC000082108188 563972332 /nfs/dbraw/zinc/97/23/32/563972332.db2.gz QVAHBQLEULHNBC-LBPRGKRZSA-N 0 0 343.477 4.024 50 0 EIAARN Fc1cc(CN2CCC[C@@H](c3nccn3CC3CC3)C2)cc(F)c1F ZINC000082107849 563972358 /nfs/dbraw/zinc/97/23/58/563972358.db2.gz UJDIEOYWGLNBTH-OAHLLOKOSA-N 0 0 349.400 4.090 50 0 EIAARN COc1ccc([C@@H]2CCCCN2C(=O)CCc2scnc2C)cc1 ZINC000082121782 563972542 /nfs/dbraw/zinc/97/25/42/563972542.db2.gz BUASRRJYFLPPIP-KRWDZBQOSA-N 0 0 344.480 4.147 50 0 EIAARN Cc1cc2cccc(C(=O)N3CCCC[C@@H]3CCn3cccn3)c2o1 ZINC000082138796 563972660 /nfs/dbraw/zinc/97/26/60/563972660.db2.gz YPGJESHESGCEOP-QGZVFWFLSA-N 0 0 337.423 4.023 50 0 EIAARN CC[C@@H]1CCCCN1C(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000082160458 563972787 /nfs/dbraw/zinc/97/27/87/563972787.db2.gz FGILLRMXJFZEKI-GOSISDBHSA-N 0 0 333.435 4.406 50 0 EIAARN CCc1nnc(NC(=O)/C=C\c2c(Cl)cccc2Cl)s1 ZINC000033289637 563973057 /nfs/dbraw/zinc/97/30/57/563973057.db2.gz GMKCSIJQRNMCNS-SREVYHEPSA-N 0 0 328.224 4.059 50 0 EIAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)/C=C\c2ccco2)c1 ZINC000033299911 563973208 /nfs/dbraw/zinc/97/32/08/563973208.db2.gz UTRSBMOVGMUQSM-QXMHVHEDSA-N 0 0 346.386 4.492 50 0 EIAARN COC(=O)c1ccc(C(=O)C[C@@H](Nc2ccc(C)cc2)C(C)C)cc1 ZINC000585145588 563973473 /nfs/dbraw/zinc/97/34/73/563973473.db2.gz YRSUQBRKRHNZRV-LJQANCHMSA-N 0 0 339.435 4.491 50 0 EIAARN O=C(/C=C\c1cccs1)Nc1ccc(Br)cc1F ZINC000033311009 563973548 /nfs/dbraw/zinc/97/35/48/563973548.db2.gz JVKZKJHGFSUDBQ-XQRVVYSFSA-N 0 0 326.190 4.302 50 0 EIAARN Cc1cccc(C)c1C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000085651265 563973913 /nfs/dbraw/zinc/97/39/13/563973913.db2.gz IDPOJAIKOLCHMQ-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN O=C(NCc1ccc(F)cc1)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146798 563973962 /nfs/dbraw/zinc/97/39/62/563973962.db2.gz QVFYVMQXFZZFFY-HNNXBMFYSA-N 0 0 344.411 4.112 50 0 EIAARN CCc1cnc(CN2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)o1 ZINC000072578424 563974205 /nfs/dbraw/zinc/97/42/05/563974205.db2.gz VRFGLNWASSHNLF-UHFFFAOYSA-N 0 0 337.423 4.016 50 0 EIAARN O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccsc1 ZINC000060748123 563974377 /nfs/dbraw/zinc/97/43/77/563974377.db2.gz VHJDTAZMNZLQRO-UHFFFAOYSA-N 0 0 326.348 4.337 50 0 EIAARN CC[C@@H](c1nc(C)c(C)s1)n1cc(-c2csc(C(C)=O)c2)nn1 ZINC000092020997 563975983 /nfs/dbraw/zinc/97/59/83/563975983.db2.gz SKBZAFKNJFMKMY-AWEZNQCLSA-N 0 0 346.481 4.282 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(-c2c(C)n[nH]c2C)cc1)c1ncccc1C ZINC000426411264 563976378 /nfs/dbraw/zinc/97/63/78/563976378.db2.gz HPEYKGYJCTYBRE-GOSISDBHSA-N 0 0 348.450 4.278 50 0 EIAARN Cc1nc([C@@H]2CCOC2)cc(N(Cc2cccs2)CC(C)C)n1 ZINC000426414825 563976414 /nfs/dbraw/zinc/97/64/14/563976414.db2.gz VVTAMBFDVOJTBJ-OAHLLOKOSA-N 0 0 331.485 4.013 50 0 EIAARN CCCCn1ccnc1[C@H]1CCCN(c2cc(CCC)nc(C)n2)C1 ZINC000095502969 563977087 /nfs/dbraw/zinc/97/70/87/563977087.db2.gz XUKSKSSBSSRXMX-KRWDZBQOSA-N 0 0 341.503 4.118 50 0 EIAARN Cc1nn(C)c2nc(N3CCC[C@H](c4ccccc4)CC3)sc12 ZINC000095509017 563977212 /nfs/dbraw/zinc/97/72/12/563977212.db2.gz IPLMZQCRINFNED-HNNXBMFYSA-N 0 0 326.469 4.112 50 0 EIAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC000095515405 563977303 /nfs/dbraw/zinc/97/73/03/563977303.db2.gz KAXUDNWEDMVLAY-QGZVFWFLSA-N 0 0 343.446 4.151 50 0 EIAARN C[C@H]1Cc2cc(NC(=O)NCCCSCc3ccco3)ccc2O1 ZINC000095519433 563977357 /nfs/dbraw/zinc/97/73/57/563977357.db2.gz XOOZNYIIUPQFHG-ZDUSSCGKSA-N 0 0 346.452 4.048 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@](C)(c4ccccc4)C3)[nH]n2)o1 ZINC000095528493 563977504 /nfs/dbraw/zinc/97/75/04/563977504.db2.gz FNFBLPFDGYLUIB-NRFANRHFSA-N 0 0 349.434 4.172 50 0 EIAARN CCCSc1ccccc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000096136154 563979411 /nfs/dbraw/zinc/97/94/11/563979411.db2.gz ALSFCCYCBIXQFA-UHFFFAOYSA-N 0 0 344.484 4.323 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H](CSC)C3)c2c1 ZINC000096140186 563979491 /nfs/dbraw/zinc/97/94/91/563979491.db2.gz SZMRWCILFWJSMP-INIZCTEOSA-N 0 0 342.508 4.321 50 0 EIAARN CCc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000096318723 563980728 /nfs/dbraw/zinc/98/07/28/563980728.db2.gz VWRBEOHZIMLHTP-UHFFFAOYSA-N 0 0 343.858 4.257 50 0 EIAARN CC(C)c1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1 ZINC000096318731 563980751 /nfs/dbraw/zinc/98/07/51/563980751.db2.gz YLLDBWFXGBJELY-UHFFFAOYSA-N 0 0 341.430 4.303 50 0 EIAARN O=C(N[C@@H](c1ccccn1)C1CCCC1)c1ccc(Br)o1 ZINC000072303695 563982135 /nfs/dbraw/zinc/98/21/35/563982135.db2.gz UBORIIIYXWULCE-OAHLLOKOSA-N 0 0 349.228 4.098 50 0 EIAARN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@H]1c1ccccn1 ZINC000247825831 563982515 /nfs/dbraw/zinc/98/25/15/563982515.db2.gz IXRMHCSRIDKMBI-JZXOWHBKSA-N 0 0 326.827 4.202 50 0 EIAARN Cc1nc2sc3c(c2c(NCCCOC2CCCC2)n1)CCC3 ZINC000060863772 563983333 /nfs/dbraw/zinc/98/33/33/563983333.db2.gz PZHGSKQPXPTWDM-UHFFFAOYSA-N 0 0 331.485 4.250 50 0 EIAARN O=c1ccc(C(F)(F)F)cn1Cc1csc(-c2cccs2)n1 ZINC000014197279 563983410 /nfs/dbraw/zinc/98/34/10/563983410.db2.gz GGLUAUYYVGUUTQ-UHFFFAOYSA-N 0 0 342.367 4.100 50 0 EIAARN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc2cccnc21 ZINC000046509218 563983935 /nfs/dbraw/zinc/98/39/35/563983935.db2.gz UJKSUMGJNBIDPI-SFHVURJKSA-N 0 0 348.402 4.045 50 0 EIAARN CCc1ccccc1NC(=O)c1sc(-n2nc(C)cc2C)nc1C ZINC000014608782 563986139 /nfs/dbraw/zinc/98/61/39/563986139.db2.gz BJBQFIKPUAZRMF-UHFFFAOYSA-N 0 0 340.452 4.069 50 0 EIAARN Cc1cccc(-c2nc3nc(C)cc(NCc4ccccc4)n3n2)c1 ZINC000014610548 563986167 /nfs/dbraw/zinc/98/61/67/563986167.db2.gz UXIUVPTYXHVNPR-UHFFFAOYSA-N 0 0 329.407 4.020 50 0 EIAARN COc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)cc1Br ZINC000000117958 563986690 /nfs/dbraw/zinc/98/66/90/563986690.db2.gz APDMHZKESGQPPV-VQHVLOKHSA-N 0 0 340.261 4.116 50 0 EIAARN CN(Cc1ccccc1)c1ncnc2ccc(Br)cc21 ZINC000000122264 563986866 /nfs/dbraw/zinc/98/68/66/563986866.db2.gz XJZIQNNJZWPUOX-UHFFFAOYSA-N 0 0 328.213 4.029 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1C ZINC000000131946 563986976 /nfs/dbraw/zinc/98/69/76/563986976.db2.gz RXTVOMLXBLVLHN-UHFFFAOYSA-N 0 0 331.799 4.061 50 0 EIAARN CCOC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000000148064 563987312 /nfs/dbraw/zinc/98/73/12/563987312.db2.gz RGQQSXGSVYFPIK-UHFFFAOYSA-N 0 0 348.424 4.153 50 0 EIAARN CCc1ccc(C(=O)CNc2nc3c(cccc3OC)s2)cc1 ZINC000000151659 563987423 /nfs/dbraw/zinc/98/74/23/563987423.db2.gz CWPUZZQQQRJNDV-UHFFFAOYSA-N 0 0 326.421 4.162 50 0 EIAARN Cc1coc(-c2cccc(NC(=O)N3CC[C@H]4CCCC[C@H]43)c2)n1 ZINC000158304929 563987526 /nfs/dbraw/zinc/98/75/26/563987526.db2.gz ZWNYAPZMIZGXTF-RHSMWYFYSA-N 0 0 325.412 4.446 50 0 EIAARN Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(C)c3C)sc2n1 ZINC000000180202 563987803 /nfs/dbraw/zinc/98/78/03/563987803.db2.gz LLXUBCHMTVDDFO-UHFFFAOYSA-N 0 0 325.437 4.364 50 0 EIAARN O=c1c2ccccc2nc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000000186950 563988061 /nfs/dbraw/zinc/98/80/61/563988061.db2.gz GDMHWKAIWONAJA-UHFFFAOYSA-N 0 0 333.778 4.101 50 0 EIAARN Cc1ccc(N2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O)cc1 ZINC000000190530 563988100 /nfs/dbraw/zinc/98/81/00/563988100.db2.gz XTNKAZIVASQQQG-UHFFFAOYSA-N 0 0 330.387 4.015 50 0 EIAARN CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1cc(C)cc(C)c1 ZINC000000214027 563988602 /nfs/dbraw/zinc/98/86/02/563988602.db2.gz VNQMCKHMYLCOSO-UHFFFAOYSA-N 0 0 335.432 4.206 50 0 EIAARN Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1nnc(C2CC2)o1 ZINC000078702109 563989059 /nfs/dbraw/zinc/98/90/59/563989059.db2.gz UCGYQLSZZKIEQE-DEOSSOPVSA-N 0 0 346.496 4.310 50 0 EIAARN O=C(Cc1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 ZINC000000244554 563989194 /nfs/dbraw/zinc/98/91/94/563989194.db2.gz WGLWVBRPUYJVFJ-UHFFFAOYSA-N 0 0 344.867 4.014 50 0 EIAARN O=C(Nc1ccc(Br)cc1Br)C1CCCC1 ZINC000000253629 563989653 /nfs/dbraw/zinc/98/96/53/563989653.db2.gz RFVBLQVYYVXQOO-UHFFFAOYSA-N 0 0 347.050 4.340 50 0 EIAARN COc1ccc2oc(-c3ccc(Br)cc3)cc(=O)c2c1 ZINC000000265305 563989956 /nfs/dbraw/zinc/98/99/56/563989956.db2.gz SUJWPCRQLULQDD-UHFFFAOYSA-N 0 0 331.165 4.231 50 0 EIAARN CC(C)CN(C(=O)c1ncoc1C1CC1)[C@H]1CCCc2cccnc21 ZINC000329084626 563991040 /nfs/dbraw/zinc/99/10/40/563991040.db2.gz TWHHDVYTISMCNQ-INIZCTEOSA-N 0 0 339.439 4.123 50 0 EIAARN CCc1cc(=O)oc2cc(OC(=O)C3CCCCC3)c(Cl)cc12 ZINC000000316915 563991052 /nfs/dbraw/zinc/99/10/52/563991052.db2.gz BONVILYASODPQI-UHFFFAOYSA-N 0 0 334.799 4.495 50 0 EIAARN O=S(=O)(Nc1ccc(F)c(Cl)c1)C1=Cc2ccccc2CC1 ZINC000024067505 563991672 /nfs/dbraw/zinc/99/16/72/563991672.db2.gz AASJHRKIOABIPF-UHFFFAOYSA-N 0 0 337.803 4.208 50 0 EIAARN CC(C)C(=O)N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000000372434 563991865 /nfs/dbraw/zinc/99/18/65/563991865.db2.gz SVGDURXFSSYDHC-LLVKDONJSA-N 0 0 344.069 4.220 50 0 EIAARN Cc1c(C(=O)Nc2cnccc2-c2ccccc2)cnn1CC(C)C ZINC000408515213 563992967 /nfs/dbraw/zinc/99/29/67/563992967.db2.gz GHWAPFRGDJFNNU-UHFFFAOYSA-N 0 0 334.423 4.162 50 0 EIAARN CCn1c(SCc2coc(C)n2)nnc1-c1cccc(Cl)c1 ZINC000408518683 563993090 /nfs/dbraw/zinc/99/30/90/563993090.db2.gz UNTQYEJLFRXVQF-UHFFFAOYSA-N 0 0 334.832 4.207 50 0 EIAARN Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@@H]1C2 ZINC000409413566 563994569 /nfs/dbraw/zinc/99/45/69/563994569.db2.gz GHWUZZCCPXLMSI-IFHVOKJLSA-N 0 0 328.500 4.135 50 0 EIAARN c1cnn(-c2ccc(-c3ccc(SCc4cccnc4)nn3)cc2)c1 ZINC000005143327 563994617 /nfs/dbraw/zinc/99/46/17/563994617.db2.gz RZIPCBRKVUOJHS-UHFFFAOYSA-N 0 0 345.431 4.017 50 0 EIAARN CCc1nc2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2nc1CC ZINC000248057883 563995085 /nfs/dbraw/zinc/99/50/85/563995085.db2.gz CJBAEEXWGFKBAU-PMUMKWKESA-N 0 0 339.483 4.309 50 0 EIAARN CC(C)c1cc(C(=O)N2CCCC[C@H]2CCc2ccccc2)no1 ZINC000124827037 563995306 /nfs/dbraw/zinc/99/53/06/563995306.db2.gz IKCPJGJROMAZCR-KRWDZBQOSA-N 0 0 326.440 4.426 50 0 EIAARN O=C(c1ccc(F)cc1)N(Cc1ccsc1)Cc1ccccn1 ZINC000044445938 563995524 /nfs/dbraw/zinc/99/55/24/563995524.db2.gz XHYBPMSMVIENEU-UHFFFAOYSA-N 0 0 326.396 4.125 50 0 EIAARN CCn1ncc2ccc(NC(=O)c3cncc(-c4ccccc4)c3)cc21 ZINC000125591799 563995565 /nfs/dbraw/zinc/99/55/65/563995565.db2.gz AUHGSKVFUXKTHT-UHFFFAOYSA-N 0 0 342.402 4.371 50 0 EIAARN COCc1ccccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000044548900 563995713 /nfs/dbraw/zinc/99/57/13/563995713.db2.gz XYGPCBKUHXEQDB-UHFFFAOYSA-N 0 0 342.420 4.419 50 0 EIAARN O=C(Nc1ccccc1)c1nc(Cc2cccc3ccccc32)no1 ZINC000445189294 563996181 /nfs/dbraw/zinc/99/61/81/563996181.db2.gz ORTOXSQDFGTLSP-UHFFFAOYSA-N 0 0 329.359 4.066 50 0 EIAARN c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000000289195 563996720 /nfs/dbraw/zinc/99/67/20/563996720.db2.gz YVPZEKGOFQQVJJ-UHFFFAOYSA-N 0 0 346.438 4.349 50 0 EIAARN O=C(c1csc(-c2ccsc2)n1)N(CC1CC1)c1cccnc1 ZINC000135534389 563997471 /nfs/dbraw/zinc/99/74/71/563997471.db2.gz FEHBSTNBQPGMHI-UHFFFAOYSA-N 0 0 341.461 4.323 50 0 EIAARN COc1ccc(CN(C)C(=O)Nc2ccc(C3CC3)c(F)c2)cc1 ZINC000252496075 563997814 /nfs/dbraw/zinc/99/78/14/563997814.db2.gz PESXBSGJBDAQHK-UHFFFAOYSA-N 0 0 328.387 4.376 50 0 EIAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CC[C@@H](C)C2 ZINC000000127457 563998006 /nfs/dbraw/zinc/99/80/06/563998006.db2.gz WIMFHBPOSVHLLH-LLVKDONJSA-N 0 0 342.464 4.392 50 0 EIAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CC[C@H](C)C2 ZINC000000127454 563998024 /nfs/dbraw/zinc/99/80/24/563998024.db2.gz WIMFHBPOSVHLLH-NSHDSACASA-N 0 0 342.464 4.392 50 0 EIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000000423960 563998407 /nfs/dbraw/zinc/99/84/07/563998407.db2.gz OWDKQQWOKHXMAY-MRXNPFEDSA-N 0 0 335.375 4.375 50 0 EIAARN CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(C)c1 ZINC000000422180 563998511 /nfs/dbraw/zinc/99/85/11/563998511.db2.gz NJYVFPYWFKMMPB-UHFFFAOYSA-N 0 0 337.448 4.248 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc3c4cc(C)ccc4[nH]c3n2)cc1 ZINC000000422715 563998535 /nfs/dbraw/zinc/99/85/35/563998535.db2.gz DALDXVAXNLMPCZ-UHFFFAOYSA-N 0 0 348.431 4.098 50 0 EIAARN Cc1ccc2cc3c(N)c(C(=O)N4CCC(C)CC4)sc3nc2c1 ZINC000000422317 563998543 /nfs/dbraw/zinc/99/85/43/563998543.db2.gz PQAMKRCGMAPONZ-UHFFFAOYSA-N 0 0 339.464 4.212 50 0 EIAARN O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCCCC1 ZINC000000425710 563998964 /nfs/dbraw/zinc/99/89/64/563998964.db2.gz JMNQKJJPIAHUFS-UHFFFAOYSA-N 0 0 325.195 4.275 50 0 EIAARN Cc1cccc(-n2ncc3c2ncnc3Nc2cccc(C)c2C)c1 ZINC000000426374 563999040 /nfs/dbraw/zinc/99/90/40/563999040.db2.gz KWVXGKDTMBRLPD-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN COc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000000430340 563999364 /nfs/dbraw/zinc/99/93/64/563999364.db2.gz CZQVGVHKGDWNAT-ZSOIEALJSA-N 0 0 348.185 4.347 50 0 EIAARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1cccc(F)c1 ZINC000000431243 563999424 /nfs/dbraw/zinc/99/94/24/563999424.db2.gz XYXZLLPKUBTMQJ-LDADJPATSA-N 0 0 332.334 4.236 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccncc2)no1 ZINC000000447821 563999671 /nfs/dbraw/zinc/99/96/71/563999671.db2.gz FRWZMDQTOXLICT-UHFFFAOYSA-N 0 0 338.754 4.415 50 0 EIAARN CCCOc1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1 ZINC000005173244 563999950 /nfs/dbraw/zinc/99/99/50/563999950.db2.gz CHLPALBAWGKDML-UHFFFAOYSA-N 0 0 342.420 4.346 50 0 EIAARN C[C@H](c1ccccc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000074104042 564000091 /nfs/dbraw/zinc/00/00/91/564000091.db2.gz QFMURYSWLROULO-CQSZACIVSA-N 0 0 327.405 4.018 50 0 EIAARN CCN(c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1)C(C)C ZINC000005200405 564000397 /nfs/dbraw/zinc/00/03/97/564000397.db2.gz AGZNVMIOTDGDJW-UHFFFAOYSA-N 0 0 325.456 4.240 50 0 EIAARN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CC1CCCC1 ZINC000076018086 564000685 /nfs/dbraw/zinc/00/06/85/564000685.db2.gz SVHSVSXSUCWXKI-UHFFFAOYSA-N 0 0 345.443 4.005 50 0 EIAARN COC(=O)CC(C)(C)Nc1nc(-c2cccs2)nc2ccccc21 ZINC000076020906 564000697 /nfs/dbraw/zinc/00/06/97/564000697.db2.gz XHPGTUUDSWIEOW-UHFFFAOYSA-N 0 0 341.436 4.112 50 0 EIAARN Cc1ccc(-c2nnc(SCc3ccc4c(c3)OCO4)o2)cc1 ZINC000005210576 564001076 /nfs/dbraw/zinc/00/10/76/564001076.db2.gz JEENATZULMHSOM-UHFFFAOYSA-N 0 0 326.377 4.066 50 0 EIAARN CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 ZINC000005215492 564001108 /nfs/dbraw/zinc/00/11/08/564001108.db2.gz MPGFHMWXMINLQJ-PKOBYXMFSA-N 0 0 342.439 4.448 50 0 EIAARN CC[C@@H](C)Cn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000005234806 564001391 /nfs/dbraw/zinc/00/13/91/564001391.db2.gz JYRGRKKHQUKLFA-MRXNPFEDSA-N 0 0 349.478 4.363 50 0 EIAARN CSc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1 ZINC000005240367 564001452 /nfs/dbraw/zinc/00/14/52/564001452.db2.gz JLXVRDGITFQZOI-CMDGGOBGSA-N 0 0 343.433 4.172 50 0 EIAARN CCSCCc1nnc2c3ccccc3c(-c3ccccc3)nn12 ZINC000005245792 564001544 /nfs/dbraw/zinc/00/15/44/564001544.db2.gz BCXCLSAPRJMTFY-UHFFFAOYSA-N 0 0 334.448 4.240 50 0 EIAARN COCCn1cc(NC(=O)N[C@@H](C)c2ccccc2)c2ccccc21 ZINC000005266404 564001617 /nfs/dbraw/zinc/00/16/17/564001617.db2.gz VBGDIYOUEUVSON-HNNXBMFYSA-N 0 0 337.423 4.170 50 0 EIAARN COCCn1cc(NC(=O)N2c3ccccc3C[C@H]2C)c2ccccc21 ZINC000005266463 564001650 /nfs/dbraw/zinc/00/16/50/564001650.db2.gz 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/nfs/dbraw/zinc/00/24/20/564002420.db2.gz SPYQLBBLSUPVQV-UHFFFAOYSA-N 0 0 347.465 4.313 50 0 EIAARN Cc1cccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c1C ZINC000005307675 564002472 /nfs/dbraw/zinc/00/24/72/564002472.db2.gz PPAJWCCXIQHWAY-UHFFFAOYSA-N 0 0 343.448 4.039 50 0 EIAARN CSc1ccc2nc(NC(=O)Cc3ccc(F)cc3)sc2c1 ZINC000005299205 564002503 /nfs/dbraw/zinc/00/25/03/564002503.db2.gz LJMRYHMYBKAOFX-UHFFFAOYSA-N 0 0 332.425 4.339 50 0 EIAARN CN(C)C(=O)[C@H](SC1=Nc2ccccc2CS1)c1ccccc1 ZINC000005325798 564002643 /nfs/dbraw/zinc/00/26/43/564002643.db2.gz CHJCGHIKUWJFLB-MRXNPFEDSA-N 0 0 342.489 4.484 50 0 EIAARN CC(C)c1ccc(NC(=O)Cc2nnc(-c3ccsc3)o2)cc1 ZINC000062007285 564002668 /nfs/dbraw/zinc/00/26/68/564002668.db2.gz AFYAQANZSSLJOD-UHFFFAOYSA-N 0 0 327.409 4.103 50 0 EIAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000000175928 564003175 /nfs/dbraw/zinc/00/31/75/564003175.db2.gz MUEJIPMUQXCYNL-FQEVSTJZSA-N 0 0 330.387 4.466 50 0 EIAARN CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000005392419 564003531 /nfs/dbraw/zinc/00/35/31/564003531.db2.gz PGDZRAUURNSZPR-UHFFFAOYSA-N 0 0 341.208 4.024 50 0 EIAARN C[C@@H]1C[C@@H]1C(=O)OCC(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000005405600 564003691 /nfs/dbraw/zinc/00/36/91/564003691.db2.gz WXZSTUOCEWEPDV-PBHICJAKSA-N 0 0 347.414 4.227 50 0 EIAARN CCCOc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000002663363 564003968 /nfs/dbraw/zinc/00/39/68/564003968.db2.gz XUOVADCRSSFXGH-WEVVVXLNSA-N 0 0 347.361 4.414 50 0 EIAARN COc1ccccc1C(=O)CSc1nnc(-c2ccccc2C)o1 ZINC000005434807 564003978 /nfs/dbraw/zinc/00/39/78/564003978.db2.gz VOURRPBPDPLRTH-UHFFFAOYSA-N 0 0 340.404 4.029 50 0 EIAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 ZINC000005434621 564003981 /nfs/dbraw/zinc/00/39/81/564003981.db2.gz AZMAYQIEEMLXBK-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21 ZINC000005442952 564004052 /nfs/dbraw/zinc/00/40/52/564004052.db2.gz FBEBPUPEHKCVIR-QGZVFWFLSA-N 0 0 333.353 4.442 50 0 EIAARN CSc1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000003256874 564004335 /nfs/dbraw/zinc/00/43/35/564004335.db2.gz AGMLCBFDCSBUDB-UHFFFAOYSA-N 0 0 337.448 4.463 50 0 EIAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccn2)o1 ZINC000005524551 564004989 /nfs/dbraw/zinc/00/49/89/564004989.db2.gz GECVBFAJZDIADU-FXAWDEMLSA-N 0 0 331.375 4.225 50 0 EIAARN CC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000005554492 564005280 /nfs/dbraw/zinc/00/52/80/564005280.db2.gz WDALNTALVUCLGR-UHFFFAOYSA-N 0 0 328.751 4.081 50 0 EIAARN S=C(SCc1nnc(-c2ccc(Cl)cc2)o1)N1CCCC1 ZINC000005286735 564005897 /nfs/dbraw/zinc/00/58/97/564005897.db2.gz SVFLJKJVYZZBOE-UHFFFAOYSA-N 0 0 339.873 4.004 50 0 EIAARN Cc1ccc(CN(C)C(=O)C2c3ccccc3Oc3ccccc32)o1 ZINC000005421035 564006064 /nfs/dbraw/zinc/00/60/64/564006064.db2.gz ZEIYZKYAUAODME-UHFFFAOYSA-N 0 0 333.387 4.484 50 0 EIAARN Cc1nc(-c2ccccc2)cc(=O)n1Cc1c(F)cccc1Cl ZINC000005608679 564006373 /nfs/dbraw/zinc/00/63/73/564006373.db2.gz LJZMAQRKIAIIQR-UHFFFAOYSA-N 0 0 328.774 4.060 50 0 EIAARN O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000005616905 564006462 /nfs/dbraw/zinc/00/64/62/564006462.db2.gz GOYBTYYRZQPVCU-UHFFFAOYSA-N 0 0 332.133 4.289 50 0 EIAARN O=C(/C=C/c1ccc(F)cc1)OCC(=O)Nc1ccc2ccccc2c1 ZINC000006886690 564006668 /nfs/dbraw/zinc/00/66/68/564006668.db2.gz YWGNQICSTRUYSN-KPKJPENVSA-N 0 0 349.361 4.174 50 0 EIAARN O=C(CSc1ccc2ccccc2n1)Nc1ccc(F)c(F)c1 ZINC000005627368 564006725 /nfs/dbraw/zinc/00/67/25/564006725.db2.gz QUXFFYWUYCADIA-UHFFFAOYSA-N 0 0 330.359 4.244 50 0 EIAARN COc1ccc2c(CSc3nc4ccccc4o3)cc(=O)oc2c1 ZINC000005628739 564006747 /nfs/dbraw/zinc/00/67/47/564006747.db2.gz GDDXBCLRRNTNHQ-UHFFFAOYSA-N 0 0 339.372 4.235 50 0 EIAARN CCc1nc2ccccc2c(C(=O)OCc2cn3ccccc3n2)c1C ZINC000005643599 564006959 /nfs/dbraw/zinc/00/69/59/564006959.db2.gz GYNRBVUYVVYBHE-UHFFFAOYSA-N 0 0 345.402 4.110 50 0 EIAARN OC1CCN(c2ccccc2NCc2ccc(F)c(Cl)c2)CC1 ZINC000180052595 564008035 /nfs/dbraw/zinc/00/80/35/564008035.db2.gz ZEYRPWPNTBQBLX-UHFFFAOYSA-N 0 0 334.822 4.052 50 0 EIAARN CCN1c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2CC1=O ZINC000017288886 564011490 /nfs/dbraw/zinc/01/14/90/564011490.db2.gz NCCLMZSPWDCHMK-UHFFFAOYSA-N 0 0 336.435 4.145 50 0 EIAARN CN(C(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCCCC1 ZINC000017356831 564011746 /nfs/dbraw/zinc/01/17/46/564011746.db2.gz HKOGLPMJIUUXIR-UHFFFAOYSA-N 0 0 342.464 4.405 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccncc3)cc12 ZINC000017584980 564012023 /nfs/dbraw/zinc/01/20/23/564012023.db2.gz PNYAUTKPMMDNQS-UHFFFAOYSA-N 0 0 334.404 4.043 50 0 EIAARN Cc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1C ZINC000000129354 564012114 /nfs/dbraw/zinc/01/21/14/564012114.db2.gz IZXPBPHTZBDWPX-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CC(C)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000006372379 564012245 /nfs/dbraw/zinc/01/22/45/564012245.db2.gz BVCQNJVLHRUISG-UHFFFAOYSA-N 0 0 326.421 4.107 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000000447779 564012637 /nfs/dbraw/zinc/01/26/37/564012637.db2.gz ODJIVORCAQVBEU-UHFFFAOYSA-N 0 0 341.407 4.150 50 0 EIAARN Cc1cc(C)cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000000456785 564012664 /nfs/dbraw/zinc/01/26/64/564012664.db2.gz CMRNSEVQQYDYLN-UHFFFAOYSA-N 0 0 332.856 4.013 50 0 EIAARN Cc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000000616178 564012905 /nfs/dbraw/zinc/01/29/05/564012905.db2.gz CIDGSYOLFSUAOX-UHFFFAOYSA-N 0 0 327.236 4.375 50 0 EIAARN Cc1nc(-c2c(-c3ccc(O)cc3O)noc2C(F)(F)F)cs1 ZINC000017747527 564012914 /nfs/dbraw/zinc/01/29/14/564012914.db2.gz FYZLHMNCPBFJAV-UHFFFAOYSA-N 0 0 342.298 4.204 50 0 EIAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1n[nH]c2ccccc21 ZINC000017917462 564013266 /nfs/dbraw/zinc/01/32/66/564013266.db2.gz VPHDCAWNHRESKT-UHFFFAOYSA-N 0 0 334.206 4.142 50 0 EIAARN Cc1cnc(C(=O)Oc2ccc(Cl)cc2Cc2ccccc2)cn1 ZINC000014725580 564013635 /nfs/dbraw/zinc/01/36/35/564013635.db2.gz FHKSFMGQNQTMQZ-UHFFFAOYSA-N 0 0 338.794 4.248 50 0 EIAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1 ZINC000005720631 564014185 /nfs/dbraw/zinc/01/41/85/564014185.db2.gz KRQXDQYKDADSGO-JXMROGBWSA-N 0 0 332.197 4.110 50 0 EIAARN COc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)cc1 ZINC000018037011 564017778 /nfs/dbraw/zinc/01/77/78/564017778.db2.gz VIIHGHFHDNAICO-OAHLLOKOSA-N 0 0 345.402 4.142 50 0 EIAARN Cc1ccc(-c2csc3ncnc(N4C[C@@H](C)O[C@@H](C)C4)c23)cc1 ZINC000018152907 564018421 /nfs/dbraw/zinc/01/84/21/564018421.db2.gz WCEVVRBRGKLOTP-OKILXGFUSA-N 0 0 339.464 4.280 50 0 EIAARN COc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1 ZINC000000499531 564018443 /nfs/dbraw/zinc/01/84/43/564018443.db2.gz WKZROCNYVBTGDA-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN COc1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc(OC)c1 ZINC000005681934 564018563 /nfs/dbraw/zinc/01/85/63/564018563.db2.gz IYCLBXFXCYOPGC-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN CCn1c2ccccc2nc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000018232849 564018936 /nfs/dbraw/zinc/01/89/36/564018936.db2.gz VUSOJQWIMOLUFS-UHFFFAOYSA-N 0 0 333.313 4.327 50 0 EIAARN O=C1c2ccccc2[C@@H]2N1c1ccccc1C(=O)N2c1ccc(F)cc1 ZINC000000501022 564018993 /nfs/dbraw/zinc/01/89/93/564018993.db2.gz LQXXVVKBAWKIBA-IBGZPJMESA-N 0 0 344.345 4.145 50 0 EIAARN Cc1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000000509982 564019940 /nfs/dbraw/zinc/01/99/40/564019940.db2.gz NAKZERWCTZXXKH-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCCC2)n1 ZINC000000510256 564020061 /nfs/dbraw/zinc/02/00/61/564020061.db2.gz JRXQGNOVHHMHNW-UHFFFAOYSA-N 0 0 327.737 4.416 50 0 EIAARN CCC[C@H]1C[C@@](C)(c2csc(Nc3ccccc3OC)n2)OC1=O ZINC000000518493 564020511 /nfs/dbraw/zinc/02/05/11/564020511.db2.gz WSDGNMGDWQSZKD-SGTLLEGYSA-N 0 0 346.452 4.474 50 0 biogenic EIAARN CCOC(=O)/C=C(/C)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000102897480 564020915 /nfs/dbraw/zinc/02/09/15/564020915.db2.gz MLKBODHRJMFJAA-HZMYXVCSSA-N 0 0 334.419 4.305 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000000523350 564021158 /nfs/dbraw/zinc/02/11/58/564021158.db2.gz WALNSSCBFZGRAA-UHFFFAOYSA-N 0 0 325.799 4.412 50 0 EIAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(C)C)cc1 ZINC000000525998 564021277 /nfs/dbraw/zinc/02/12/77/564021277.db2.gz IHKLLBPTDNVQNQ-SFHVURJKSA-N 0 0 327.380 4.108 50 0 biogenic EIAARN CC(C)Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1 ZINC000000529952 564021430 /nfs/dbraw/zinc/02/14/30/564021430.db2.gz LRGOIYRIKPHRNJ-QGZVFWFLSA-N 0 0 342.464 4.268 50 0 EIAARN Cc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2N)cc1 ZINC000000531598 564021632 /nfs/dbraw/zinc/02/16/32/564021632.db2.gz BXHHZNKAJPTJDL-UHFFFAOYSA-N 0 0 348.834 4.052 50 0 EIAARN COc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000000533446 564021994 /nfs/dbraw/zinc/02/19/94/564021994.db2.gz DFWTZRRIVNVWEW-DLBZAZTESA-N 0 0 340.814 4.086 50 0 EIAARN COc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000000533447 564021997 /nfs/dbraw/zinc/02/19/97/564021997.db2.gz DFWTZRRIVNVWEW-IRXDYDNUSA-N 0 0 340.814 4.086 50 0 EIAARN CC1(C)Cc2c(sc3ncnc(NCCc4ccccc4)c23)CO1 ZINC000000549305 564022925 /nfs/dbraw/zinc/02/29/25/564022925.db2.gz TXZWAZIEDFZLJQ-UHFFFAOYSA-N 0 0 339.464 4.197 50 0 EIAARN C[C@H]1C[C@@H](Nc2ncnc3c2cnn3-c2ccccc2)CC(C)(C)C1 ZINC000000552496 564022991 /nfs/dbraw/zinc/02/29/91/564022991.db2.gz MOGCLMUWPUAISZ-LSDHHAIUSA-N 0 0 335.455 4.442 50 0 EIAARN CCOc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)cc1 ZINC000000559719 564023134 /nfs/dbraw/zinc/02/31/34/564023134.db2.gz YVOXBZMXWSZBBY-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN Cc1ccc(C)c(Cn2c(CCNC(=O)C(C)C)nc3ccccc32)c1 ZINC000000560839 564023273 /nfs/dbraw/zinc/02/32/73/564023273.db2.gz KGIISWXWALELLP-UHFFFAOYSA-N 0 0 349.478 4.016 50 0 EIAARN Cc1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000024560263 564023578 /nfs/dbraw/zinc/02/35/78/564023578.db2.gz UABUENQTEIXGAL-FQEVSTJZSA-N 0 0 345.446 4.047 50 0 EIAARN c1ccc(C2=Nc3ccccc3N=C3CN(c4ccccc4)N[C@H]32)cc1 ZINC000104646896 564023925 /nfs/dbraw/zinc/02/39/25/564023925.db2.gz KHKWNLYYAHLINH-JOCHJYFZSA-N 0 0 338.414 4.468 50 0 EIAARN O=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccccc1 ZINC000000581884 564024971 /nfs/dbraw/zinc/02/49/71/564024971.db2.gz CLPKJOVGUJOMBM-UHFFFAOYSA-N 0 0 341.407 4.221 50 0 EIAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc[nH]3)o2)cc1C ZINC000018365405 564025183 /nfs/dbraw/zinc/02/51/83/564025183.db2.gz IEUZRKIBOLETEK-LBPRGKRZSA-N 0 0 327.409 4.045 50 0 EIAARN O=C(Nc1ccccc1-c1ccncc1)C1=NO[C@H](c2ccccc2)C1 ZINC000110400458 564025435 /nfs/dbraw/zinc/02/54/35/564025435.db2.gz AFUKXUBWZJWXOV-FQEVSTJZSA-N 0 0 343.386 4.205 50 0 EIAARN Cc1cc(CN(C)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)no1 ZINC000046898636 564025473 /nfs/dbraw/zinc/02/54/73/564025473.db2.gz RVOUWPUPCJFBCU-QGZVFWFLSA-N 0 0 347.434 4.441 50 0 EIAARN Cc1ccc(Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)nn2)cc1 ZINC000046913887 564025503 /nfs/dbraw/zinc/02/55/03/564025503.db2.gz JNTCUKLJWXXYQI-UHFFFAOYSA-N 0 0 347.353 4.385 50 0 EIAARN O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H]1c1ccncc1 ZINC000047074806 564025685 /nfs/dbraw/zinc/02/56/85/564025685.db2.gz HMKNOEAHTULQFA-INIZCTEOSA-N 0 0 335.432 4.182 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1 ZINC000005750805 564025838 /nfs/dbraw/zinc/02/58/38/564025838.db2.gz PJKWBINFJGSACA-CYBMUJFWSA-N 0 0 341.407 4.010 50 0 EIAARN O=C(C1CCC(O)CC1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000194393524 564026176 /nfs/dbraw/zinc/02/61/76/564026176.db2.gz PKRWSAJKMUHGOB-UVCXQEEPSA-N 0 0 327.468 4.022 50 0 EIAARN COC(=O)c1ccc(CSc2nccc(-c3ccccc3)n2)cc1 ZINC000012138998 564026341 /nfs/dbraw/zinc/02/63/41/564026341.db2.gz YUQUTHHHCIMVCU-UHFFFAOYSA-N 0 0 336.416 4.223 50 0 EIAARN COc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000044845733 564027494 /nfs/dbraw/zinc/02/74/94/564027494.db2.gz DFVOWOLAPOEHAY-NSHDSACASA-N 0 0 334.803 4.240 50 0 EIAARN Cc1[nH]nc2c1[C@@H](c1cccc(OC3CCCC3)c1)SCC(=O)N2 ZINC000044893180 564027539 /nfs/dbraw/zinc/02/75/39/564027539.db2.gz KALHOMABPLBVOZ-QGZVFWFLSA-N 0 0 343.452 4.464 50 0 EIAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccn3)c12 ZINC000044908397 564027704 /nfs/dbraw/zinc/02/77/04/564027704.db2.gz PHQSGXXBNHEVTL-UHFFFAOYSA-N 0 0 349.438 4.019 50 0 EIAARN CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H]2c2ccsc2)n1 ZINC000044940792 564027837 /nfs/dbraw/zinc/02/78/37/564027837.db2.gz RZBZXUBOOQNDML-AWEZNQCLSA-N 0 0 347.484 4.115 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](c2cccs2)C(C)C)on1 ZINC000044967128 564027924 /nfs/dbraw/zinc/02/79/24/564027924.db2.gz KNVKCKOOFRLKSB-XJKSGUPXSA-N 0 0 333.457 4.288 50 0 EIAARN O=C(CCOCC(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000045281538 564028336 /nfs/dbraw/zinc/02/83/36/564028336.db2.gz XQAKLZHOOWPSQL-UHFFFAOYSA-N 0 0 337.341 4.185 50 0 EIAARN Cc1csc(CCNc2nc(-c3ccncc3)nc3ccccc32)n1 ZINC000045726282 564028654 /nfs/dbraw/zinc/02/86/54/564028654.db2.gz AMIMDTXQJBNJSN-UHFFFAOYSA-N 0 0 347.447 4.111 50 0 EIAARN CCCCOC(=O)c1nc2ccccc2nc1NCc1ccccc1 ZINC000045901547 564028818 /nfs/dbraw/zinc/02/88/18/564028818.db2.gz XCJHJLLTYAHCIU-UHFFFAOYSA-N 0 0 335.407 4.199 50 0 EIAARN CCCCOC(=O)c1nc2ccccc2nc1NCc1cccs1 ZINC000045901597 564028852 /nfs/dbraw/zinc/02/88/52/564028852.db2.gz MPYSJBPDDHXGOX-UHFFFAOYSA-N 0 0 341.436 4.260 50 0 EIAARN C[C@H]1CCCCN1C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000045999466 564029071 /nfs/dbraw/zinc/02/90/71/564029071.db2.gz BFLIUFWTRPARMJ-AWEZNQCLSA-N 0 0 343.402 4.097 50 0 EIAARN COCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000046032700 564029333 /nfs/dbraw/zinc/02/93/33/564029333.db2.gz TXIJPVMWNSYIJY-GOSISDBHSA-N 0 0 328.387 4.341 50 0 EIAARN CCCOc1ccc(NC(=O)c2cc3c(cc2C)OCCCO3)cc1 ZINC000046077883 564029485 /nfs/dbraw/zinc/02/94/85/564029485.db2.gz PCHDTLIFQXIURK-UHFFFAOYSA-N 0 0 341.407 4.197 50 0 EIAARN COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000047710987 564029684 /nfs/dbraw/zinc/02/96/84/564029684.db2.gz DKZWYQDRAJRJGP-UHFFFAOYSA-N 0 0 347.802 4.182 50 0 EIAARN CCOC(=O)Nc1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000047946202 564029848 /nfs/dbraw/zinc/02/98/48/564029848.db2.gz MNVVODVVUNQSMD-AWEZNQCLSA-N 0 0 341.411 4.180 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000005534967 564029985 /nfs/dbraw/zinc/02/99/85/564029985.db2.gz UJVLDDZCTMKXJK-HCWGXPEJSA-N 0 0 340.463 4.370 50 0 in-vitro EIAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000048250112 564030405 /nfs/dbraw/zinc/03/04/05/564030405.db2.gz SXFQQOXKZMSONK-STQMWFEESA-N 0 0 348.443 4.362 50 0 EIAARN CCN(C[C@H]1CCCO1)c1ncnc2sc(-c3ccccc3)cc21 ZINC000048290351 564030556 /nfs/dbraw/zinc/03/05/56/564030556.db2.gz OGIUWRPPHOORMV-OAHLLOKOSA-N 0 0 339.464 4.364 50 0 EIAARN CN(C)c1cccc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000048291061 564030571 /nfs/dbraw/zinc/03/05/71/564030571.db2.gz OVIXNYDNFUOVJA-FQEVSTJZSA-N 0 0 332.403 4.094 50 0 EIAARN O=C(CC(F)(F)F)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 ZINC000048280987 564030659 /nfs/dbraw/zinc/03/06/59/564030659.db2.gz USRHUMSXIWFVBD-UHFFFAOYSA-N 0 0 346.305 4.030 50 0 EIAARN O=C(c1cnn(-c2ccccc2)n1)N(c1ccccc1)C1CCCCC1 ZINC000048314850 564030916 /nfs/dbraw/zinc/03/09/16/564030916.db2.gz DOALPHAHGQCLSI-UHFFFAOYSA-N 0 0 346.434 4.247 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3ccc[nH]3)s2)o1 ZINC000048326104 564031047 /nfs/dbraw/zinc/03/10/47/564031047.db2.gz GBKFFCROWOGMAQ-AWEZNQCLSA-N 0 0 341.436 4.325 50 0 EIAARN C[C@H](Sc1n[nH]c(-c2ccccc2F)n1)c1nc(C(C)(C)C)no1 ZINC000048333184 564031100 /nfs/dbraw/zinc/03/11/00/564031100.db2.gz ZSLWANZPKCNBFS-VIFPVBQESA-N 0 0 347.419 4.145 50 0 EIAARN COc1cc([C@H](C)NC(=O)c2ccco2)ccc1OC1CCCC1 ZINC000048340142 564031214 /nfs/dbraw/zinc/03/12/14/564031214.db2.gz GTXSAARODPCFAV-ZDUSSCGKSA-N 0 0 329.396 4.101 50 0 EIAARN O=C(CS[C@H]1CCCc2ccccc21)N1CCc2ccccc2C1 ZINC000048355792 564031448 /nfs/dbraw/zinc/03/14/48/564031448.db2.gz IZQJJDWNQQLCKK-FQEVSTJZSA-N 0 0 337.488 4.382 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)N2CCC(c3ccc(O)cc3)CC2)C1(C)C ZINC000048355650 564031450 /nfs/dbraw/zinc/03/14/50/564031450.db2.gz AMHTYSMKMZIUOP-RBUKOAKNSA-N 0 0 327.468 4.337 50 0 EIAARN CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000048367631 564031542 /nfs/dbraw/zinc/03/15/42/564031542.db2.gz ZIJAJDFXNZEKLF-UHFFFAOYSA-N 0 0 337.398 4.446 50 0 EIAARN COc1ccc([C@@H]2CCCCCN2Cc2nnsc2Cl)cc1 ZINC000048368068 564031615 /nfs/dbraw/zinc/03/16/15/564031615.db2.gz AJYQAXZRIXWPRY-HNNXBMFYSA-N 0 0 337.876 4.317 50 0 EIAARN Cc1ccsc1CNC(=O)Nc1cccc(Br)c1 ZINC000048368554 564031626 /nfs/dbraw/zinc/03/16/26/564031626.db2.gz MYUHJKSQFVWUSG-UHFFFAOYSA-N 0 0 325.231 4.141 50 0 EIAARN CC(C)OCc1cccc(CNC(=O)c2ccccc2OC(F)F)c1 ZINC000048373969 564031643 /nfs/dbraw/zinc/03/16/43/564031643.db2.gz CNHKEUDUCZWDAK-UHFFFAOYSA-N 0 0 349.377 4.143 50 0 EIAARN Cn1cccc1CN(Cc1cccs1)C(=O)Nc1cccs1 ZINC000049026683 564032390 /nfs/dbraw/zinc/03/23/90/564032390.db2.gz YQGAHOVDROAVJN-UHFFFAOYSA-N 0 0 331.466 4.382 50 0 EIAARN Cc1cccc(CNC(=O)c2sc(-n3cccc3)nc2C(C)C)c1 ZINC000049006270 564032395 /nfs/dbraw/zinc/03/23/95/564032395.db2.gz LFNBXQKHZPNSOY-UHFFFAOYSA-N 0 0 339.464 4.296 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)nc2ncccn21 ZINC000027015398 564032849 /nfs/dbraw/zinc/03/28/49/564032849.db2.gz HYQJAUIBMNPCCP-OUKQBFOZSA-N 0 0 340.386 4.048 50 0 EIAARN C[C@@H](Oc1ccc(Br)cc1)c1nc(-c2ccccn2)no1 ZINC000000621115 564033193 /nfs/dbraw/zinc/03/31/93/564033193.db2.gz IFQUYKDSGSTZPI-SNVBAGLBSA-N 0 0 346.184 4.034 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000341754651 564033297 /nfs/dbraw/zinc/03/32/97/564033297.db2.gz AYUIWVJCXOBDRX-VQTJNVASSA-N 0 0 338.451 4.199 50 0 EIAARN Cc1ccc(SCCCN(C)C(=O)c2cc(C)nc(C)c2)cc1 ZINC000215936183 564033672 /nfs/dbraw/zinc/03/36/72/564033672.db2.gz UFXWCPOMJFTBAR-UHFFFAOYSA-N 0 0 328.481 4.261 50 0 EIAARN CC1=C(C(=O)Nc2cc(C)ccc2C)C2(CCCCCC2)OC1=O ZINC000006933588 564033864 /nfs/dbraw/zinc/03/38/64/564033864.db2.gz OQCURGSBZOTSSX-UHFFFAOYSA-N 0 0 327.424 4.208 50 0 biogenic EIAARN Cc1nc(-c2ccc(NC(=O)Cc3ccccc3F)cc2)cs1 ZINC000007438067 564034361 /nfs/dbraw/zinc/03/43/61/564034361.db2.gz XRDIEGDHLHVQRM-UHFFFAOYSA-N 0 0 326.396 4.439 50 0 EIAARN c1csc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)co2)c1 ZINC000007904876 564034549 /nfs/dbraw/zinc/03/45/49/564034549.db2.gz JDTJTUIOUPTHOA-UHFFFAOYSA-N 0 0 344.465 4.499 50 0 EIAARN Cc1ccc(-c2nc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000008117001 564034817 /nfs/dbraw/zinc/03/48/17/564034817.db2.gz SHAFSVMNXKQQQF-UHFFFAOYSA-N 0 0 346.312 4.051 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)NCCn1ccc2ccc(F)cc21 ZINC000604419684 564034859 /nfs/dbraw/zinc/03/48/59/564034859.db2.gz UQPHPTWKLYVCFP-UHFFFAOYSA-N 0 0 349.409 4.011 50 0 EIAARN CC(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccco1 ZINC000604418966 564034867 /nfs/dbraw/zinc/03/48/67/564034867.db2.gz XXIABWAWINYCRK-KRWDZBQOSA-N 0 0 337.423 4.263 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc2ncsc2c1 ZINC000390831860 564035122 /nfs/dbraw/zinc/03/51/22/564035122.db2.gz VMCSWADKHVBZCQ-UHFFFAOYSA-N 0 0 334.400 4.486 50 0 EIAARN COc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1OC ZINC000000818107 564035298 /nfs/dbraw/zinc/03/52/98/564035298.db2.gz SCVVMLNKRDQMPW-HXUWFJFHSA-N 0 0 335.407 4.157 50 0 EIAARN COc1ccccc1-c1csc(NC(=O)c2ccccc2F)n1 ZINC000031991329 564035932 /nfs/dbraw/zinc/03/59/32/564035932.db2.gz DLJSSTWOIYSHHN-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000002841317 564036785 /nfs/dbraw/zinc/03/67/85/564036785.db2.gz KHCHUMLGEKVZQI-UHFFFAOYSA-N 0 0 327.380 4.294 50 0 EIAARN COc1ccc(/C=C\c2nn3c(nnc3-c3cccs3)s2)cc1 ZINC000033584563 564036882 /nfs/dbraw/zinc/03/68/82/564036882.db2.gz IAALAXTZZXUFDK-TWGQIWQCSA-N 0 0 340.433 4.093 50 0 EIAARN Cc1ccc(CSCCNC(=O)CCNc2ccccc2C)cc1 ZINC000024974517 564036912 /nfs/dbraw/zinc/03/69/12/564036912.db2.gz RBXWHHBMMLIZAP-UHFFFAOYSA-N 0 0 342.508 4.155 50 0 EIAARN Cc1cccc(OCCCSc2nc3sccc3c(N)n2)c1 ZINC000025607870 564038374 /nfs/dbraw/zinc/03/83/74/564038374.db2.gz XHTXDCXFHDSSBD-UHFFFAOYSA-N 0 0 331.466 4.143 50 0 EIAARN Cc1nc([C@H](C)N(C)C(=O)c2cc(Cl)ccc2F)c(C)s1 ZINC000223648452 564040489 /nfs/dbraw/zinc/04/04/89/564040489.db2.gz GNOPTXDFVITLBV-QMMMGPOBSA-N 0 0 326.824 4.386 50 0 EIAARN CC(C)[C@@H]1CN(C(=O)Nc2ncc(-c3ccccc3)s2)CCS1 ZINC000225431751 564046666 /nfs/dbraw/zinc/04/66/66/564046666.db2.gz INYCIUFDNWJISO-HNNXBMFYSA-N 0 0 347.509 4.415 50 0 EIAARN CC(=O)Nc1cccc(-c2nc(-c3ccncc3Cl)cs2)c1 ZINC000225456070 564046939 /nfs/dbraw/zinc/04/69/39/564046939.db2.gz FDXDTIJKHBDRAT-UHFFFAOYSA-N 0 0 329.812 4.484 50 0 EIAARN Cc1ccccc1NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1 ZINC000225456076 564046957 /nfs/dbraw/zinc/04/69/57/564046957.db2.gz VOABQIFBYDXOHY-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CCOc1ccc(-c2nc(-c3oc(C)nc3C)cs2)cc1OC ZINC000225478648 564047151 /nfs/dbraw/zinc/04/71/51/564047151.db2.gz YITISXBVYHTEQA-UHFFFAOYSA-N 0 0 330.409 4.489 50 0 EIAARN COc1ccc(C(=O)C[C@@H](C)C(=O)O[C@@H](C)c2cccc(F)c2)cc1 ZINC000225618970 564048497 /nfs/dbraw/zinc/04/84/97/564048497.db2.gz LFFTVEHCTPKEOU-KGLIPLIRSA-N 0 0 344.382 4.348 50 0 EIAARN Cc1ncc(-c2ccc(NC(=O)CCn3cnc4ccccc43)cc2)o1 ZINC000029858536 564049299 /nfs/dbraw/zinc/04/92/99/564049299.db2.gz HTPFZXZVCRGBIU-UHFFFAOYSA-N 0 0 346.390 4.029 50 0 EIAARN CCCN(Cc1ccccc1)c1nnc(-c2ccc(C)s2)n1C ZINC000225688473 564049407 /nfs/dbraw/zinc/04/94/07/564049407.db2.gz UOZHVYJPEQDAGO-UHFFFAOYSA-N 0 0 326.469 4.269 50 0 EIAARN CC(=O)Nc1sc(NC(=O)c2ccccc2)nc1-c1cccs1 ZINC000000858470 564051039 /nfs/dbraw/zinc/05/10/39/564051039.db2.gz YEFFUVPELSJYOW-UHFFFAOYSA-N 0 0 343.433 4.082 50 0 EIAARN CC(C)n1ccnc1CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000241121755 564051858 /nfs/dbraw/zinc/05/18/58/564051858.db2.gz JDRRVYOKNHZBBR-LBPRGKRZSA-N 0 0 327.350 4.213 50 0 EIAARN C[C@@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1cc2ccccc2o1 ZINC000241466157 564051998 /nfs/dbraw/zinc/05/19/98/564051998.db2.gz NVEXWNZPQJFUCP-GFCCVEGCSA-N 0 0 332.359 4.178 50 0 EIAARN O=C(c1cnc2ccccc2c1O)N1CC2(CCCC2)c2ccccc21 ZINC000081811585 564052195 /nfs/dbraw/zinc/05/21/95/564052195.db2.gz BJGPXUROZKVJQA-UHFFFAOYSA-N 0 0 344.414 4.000 50 0 EIAARN CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)c1ccccc1-c1ncc[nH]1)=CC2 ZINC000244899778 564052326 /nfs/dbraw/zinc/05/23/26/564052326.db2.gz ZPZDUTOBNABWDB-YJBOKZPZSA-N 0 0 335.451 4.189 50 0 EIAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1 ZINC000018702093 564052552 /nfs/dbraw/zinc/05/25/52/564052552.db2.gz REKVYFXVOYYKNU-UHFFFAOYSA-N 0 0 337.345 4.199 50 0 EIAARN O=C(Nc1ccc(-c2ccncc2)nc1)Nc1c(F)cccc1F ZINC000585149384 564052702 /nfs/dbraw/zinc/05/27/02/564052702.db2.gz FVZPUJQQQDYUPG-UHFFFAOYSA-N 0 0 326.306 4.066 50 0 EIAARN O[C@]1(c2ccccc2)CC[C@H](c2ccccc2)[C@]1(O)c1ccccc1 ZINC000248070137 564052924 /nfs/dbraw/zinc/05/29/24/564052924.db2.gz XQYDCDIWHVZGRN-XPWALMASSA-N 0 0 330.427 4.340 50 0 EIAARN C[C@@H](O)c1ccc(-c2ccc(CNCc3nc4ccccc4[nH]3)o2)cc1 ZINC000248377776 564053193 /nfs/dbraw/zinc/05/31/93/564053193.db2.gz HQYPKYVWEYQKFN-CQSZACIVSA-N 0 0 347.418 4.166 50 0 EIAARN Cc1cc(CNC(=O)c2ccc(CSc3ccccn3)cc2)ccn1 ZINC000252490657 564053493 /nfs/dbraw/zinc/05/34/93/564053493.db2.gz KYPWEZZFRGBJLQ-UHFFFAOYSA-N 0 0 349.459 4.007 50 0 EIAARN CC(CNC(=O)c1cc(C2CC2)on1)(c1ccccc1)c1ccccc1 ZINC000025463175 564054478 /nfs/dbraw/zinc/05/44/78/564054478.db2.gz PWMUVBHSTVKHRQ-UHFFFAOYSA-N 0 0 346.430 4.288 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@@H]3[C@@H](O)C[C@H]2C1 ZINC000257346352 564055874 /nfs/dbraw/zinc/05/58/74/564055874.db2.gz YQMXIAABFQDHTC-JRINFJIASA-N 0 0 334.500 4.322 50 0 EIAARN CCOC(=O)c1sc2ncnc(Oc3cccc(C)c3)c2c1C ZINC000015175141 564056015 /nfs/dbraw/zinc/05/60/15/564056015.db2.gz UKZUEYNCLAZRGN-UHFFFAOYSA-N 0 0 328.393 4.277 50 0 EIAARN O=C1NC(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)S1 ZINC000001188691 564056299 /nfs/dbraw/zinc/05/62/99/564056299.db2.gz URGOMEUIOHDRCV-OQLLNIDSSA-N 0 0 345.807 4.243 50 0 EIAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc[n+]([O-])cc1 ZINC000005840360 564056596 /nfs/dbraw/zinc/05/65/96/564056596.db2.gz CLSJCYTYVVQWJH-UHFFFAOYSA-N 0 0 348.446 4.040 50 0 EIAARN CCCCCSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000005867467 564056718 /nfs/dbraw/zinc/05/67/18/564056718.db2.gz CIHKRCBMGJHDGI-UHFFFAOYSA-N 0 0 328.441 4.112 50 0 EIAARN CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000005910079 564056926 /nfs/dbraw/zinc/05/69/26/564056926.db2.gz VUHHPCNWKDEWOX-VBNZEHGJSA-N 0 0 335.831 4.203 50 0 EIAARN Cn1nc(C(F)(F)F)c2cc(COc3ccc(F)cc3)sc21 ZINC000005943376 564057220 /nfs/dbraw/zinc/05/72/20/564057220.db2.gz IZASDRSTCBOXKB-UHFFFAOYSA-N 0 0 330.306 4.372 50 0 EIAARN CSCC[C@@H](NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 ZINC000006016731 564057597 /nfs/dbraw/zinc/05/75/97/564057597.db2.gz QCFABUCGHMDLHD-MRXNPFEDSA-N 0 0 331.485 4.054 50 0 EIAARN Cc1cccc2c1N[C@H](c1csc(-c3ccsc3)n1)NC2=O ZINC000063495443 564057637 /nfs/dbraw/zinc/05/76/37/564057637.db2.gz JXDSVBJRHKGUMK-AWEZNQCLSA-N 0 0 327.434 4.034 50 0 EIAARN CCc1ccc(C(=O)CSc2n[nH]c(-c3cccs3)n2)cc1 ZINC000006035371 564057718 /nfs/dbraw/zinc/05/77/18/564057718.db2.gz HATKJCLXYYJVLW-UHFFFAOYSA-N 0 0 329.450 4.071 50 0 EIAARN Fc1ccc(OCCCSc2n[nH]c(-c3cccs3)n2)cc1 ZINC000006035322 564057735 /nfs/dbraw/zinc/05/77/35/564057735.db2.gz LUBAIHKLWQBIQO-UHFFFAOYSA-N 0 0 335.429 4.234 50 0 EIAARN Cc1cc([C@H](NCc2ncccn2)c2ccccc2Cl)ccc1F ZINC000190380363 564057961 /nfs/dbraw/zinc/05/79/61/564057961.db2.gz CNJMLUSOPZWSTK-IBGZPJMESA-N 0 0 341.817 4.457 50 0 EIAARN C[C@@H](Sc1nnc2ccc3ccccc3n21)C(=O)Nc1ccccc1 ZINC000001924300 564058117 /nfs/dbraw/zinc/05/81/17/564058117.db2.gz AQIKGBCXTHAVOJ-CYBMUJFWSA-N 0 0 348.431 4.002 50 0 EIAARN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1 ZINC000001993771 564058125 /nfs/dbraw/zinc/05/81/25/564058125.db2.gz NAMDRKOPRNRIGZ-UHFFFAOYSA-N 0 0 349.361 4.288 50 0 EIAARN Cc1cc(C)cc(-c2nnc(SCc3nccn3C(F)F)o2)c1 ZINC000012531879 564058251 /nfs/dbraw/zinc/05/82/51/564058251.db2.gz NOCSMWDFFXOTKJ-UHFFFAOYSA-N 0 0 336.367 4.237 50 0 EIAARN Cc1sc2[nH]c([C@@H](C)Nc3cc(C)cc(C)c3)nc(=O)c2c1C ZINC000012534259 564058364 /nfs/dbraw/zinc/05/83/64/564058364.db2.gz XHEWXTPVQRKGIL-GFCCVEGCSA-N 0 0 327.453 4.391 50 0 EIAARN COc1ccc([C@@H](CCN(Cc2ccco2)C(C)=O)C(C)C)cc1 ZINC000002145368 564058389 /nfs/dbraw/zinc/05/83/89/564058389.db2.gz PNOJTWNKYMZRDD-FQEVSTJZSA-N 0 0 329.440 4.467 50 0 biogenic EIAARN O=C(CSc1nc2ccccc2o1)N[C@H]1CCCc2ccccc21 ZINC000003273527 564058857 /nfs/dbraw/zinc/05/88/57/564058857.db2.gz BUQHCWWPNQVKDC-HNNXBMFYSA-N 0 0 338.432 4.114 50 0 EIAARN CCCCC(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000003295186 564059096 /nfs/dbraw/zinc/05/90/96/564059096.db2.gz HCFMHDYQRFVRDM-UHFFFAOYSA-N 0 0 327.380 4.151 50 0 EIAARN CCOC(=O)c1cc(-c2cccs2)nn1-c1ccc(C)cc1C ZINC000003290365 564059120 /nfs/dbraw/zinc/05/91/20/564059120.db2.gz TUQXBBQSVCEYKD-UHFFFAOYSA-N 0 0 326.421 4.394 50 0 EIAARN Cc1nnc(SCc2csc(Nc3ccccc3)n2)n1C1CC1 ZINC000012557507 564059382 /nfs/dbraw/zinc/05/93/82/564059382.db2.gz LHINXEYWEVRPCR-UHFFFAOYSA-N 0 0 343.481 4.414 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000012567180 564059730 /nfs/dbraw/zinc/05/97/30/564059730.db2.gz UAEYBPUNSDSWRW-IINYFYTJSA-N 0 0 335.245 4.239 50 0 EIAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)COC1CCCC1 ZINC000044336567 564059982 /nfs/dbraw/zinc/05/99/82/564059982.db2.gz CCHFUIXCZNVUGU-UHFFFAOYSA-N 0 0 349.434 4.207 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1Cl ZINC000012580266 564060021 /nfs/dbraw/zinc/06/00/21/564060021.db2.gz DCUNZHAHZDPUAH-GFCCVEGCSA-N 0 0 325.799 4.221 50 0 EIAARN COc1cccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)c1 ZINC000012588169 564060218 /nfs/dbraw/zinc/06/02/18/564060218.db2.gz FWTKFIPEXHVZOJ-LJQANCHMSA-N 0 0 333.391 4.001 50 0 EIAARN CCOCCSCc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000012598791 564060294 /nfs/dbraw/zinc/06/02/94/564060294.db2.gz QUGNMGUROZETPT-UHFFFAOYSA-N 0 0 345.464 4.217 50 0 EIAARN Cc1cccc(Nc2ccccc2C(=O)NCc2ccncc2)c1C ZINC000012597915 564060301 /nfs/dbraw/zinc/06/03/01/564060301.db2.gz XHSWZQQATBQZLQ-UHFFFAOYSA-N 0 0 331.419 4.372 50 0 EIAARN Cc1cc2occ(CC(=O)NCCc3c[nH]c4ccccc34)c2cc1C ZINC000012607851 564060515 /nfs/dbraw/zinc/06/05/15/564060515.db2.gz PIGHEOAKASFEBV-UHFFFAOYSA-N 0 0 346.430 4.432 50 0 EIAARN CCC(CC)n1ncc(C)c1NC(=O)N(Cc1nccs1)C1CC1 ZINC000299763485 564060708 /nfs/dbraw/zinc/06/07/08/564060708.db2.gz XCDNJWSZEPJEPA-UHFFFAOYSA-N 0 0 347.488 4.206 50 0 EIAARN CN1CCO[C@]12CC[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000299804154 564060844 /nfs/dbraw/zinc/06/08/44/564060844.db2.gz CZGMCXMFKOCFDA-HOQLVIGXSA-N 0 0 347.543 4.048 50 0 EIAARN CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NCCCC(C)(C)C ZINC000534634852 564061326 /nfs/dbraw/zinc/06/13/26/564061326.db2.gz JVCVZAUDOAOVEN-UHFFFAOYSA-N 0 0 346.450 4.184 50 0 EIAARN CSc1cccc(CN(C)C(=O)N[C@@H](c2ccccn2)C(C)C)c1 ZINC000534676867 564061623 /nfs/dbraw/zinc/06/16/23/564061623.db2.gz ROZAQYPUZRSMAV-GOSISDBHSA-N 0 0 343.496 4.342 50 0 EIAARN CSCC[C@H](C(=O)Nc1nc2c(s1)CCCCC2)n1cccc1 ZINC000263588422 564061914 /nfs/dbraw/zinc/06/19/14/564061914.db2.gz UBQXTJLTPCZCDR-CQSZACIVSA-N 0 0 349.525 4.146 50 0 EIAARN O=C(NCCc1ccccn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000012642724 564062017 /nfs/dbraw/zinc/06/20/17/564062017.db2.gz URRWASHIWWRKSQ-UHFFFAOYSA-N 0 0 342.851 4.436 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000005440559 564062431 /nfs/dbraw/zinc/06/24/31/564062431.db2.gz AJMBMHGRKZCDRW-UHFFFAOYSA-N 0 0 336.435 4.363 50 0 EIAARN O=C(CSc1ccc(-c2ccco2)nn1)Nc1ccccc1Cl ZINC000005442280 564062487 /nfs/dbraw/zinc/06/24/87/564062487.db2.gz OHBASMIWBHIDHN-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1[C@@H](C)CC ZINC000012683526 564062630 /nfs/dbraw/zinc/06/26/30/564062630.db2.gz LEBQMMBJJZMGTI-AWEZNQCLSA-N 0 0 334.419 4.265 50 0 EIAARN Cc1ccc(CN(C(=O)Cc2cccc3cccnc32)C2CC2)cc1 ZINC000045495315 564062833 /nfs/dbraw/zinc/06/28/33/564062833.db2.gz RVUZTXBRBGGBSV-UHFFFAOYSA-N 0 0 330.431 4.277 50 0 EIAARN COc1ccc(NC(=O)c2[nH]c3cc(OC)ccc3c2Cl)cc1 ZINC000001279385 564062886 /nfs/dbraw/zinc/06/28/86/564062886.db2.gz SMHPKERIXOOMEP-UHFFFAOYSA-N 0 0 330.771 4.091 50 0 EIAARN Cc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(C)cc2)OC3)cc1 ZINC000263617522 564062948 /nfs/dbraw/zinc/06/29/48/564062948.db2.gz OEWWWJDBEPJWHU-HXUWFJFHSA-N 0 0 347.418 4.024 50 0 EIAARN CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H](c1ccccc1)c1ccccn1 ZINC000083843919 564063749 /nfs/dbraw/zinc/06/37/49/564063749.db2.gz CGFQQSYIJYZPHN-KCZVDYSFSA-N 0 0 342.442 4.433 50 0 EIAARN CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000012728468 564063880 /nfs/dbraw/zinc/06/38/80/564063880.db2.gz VHITXBCANOBSNX-CYBMUJFWSA-N 0 0 329.827 4.489 50 0 EIAARN CCCn1c(=O)cc(C(F)(F)F)nc1SCc1ccccc1F ZINC000001383393 564064055 /nfs/dbraw/zinc/06/40/55/564064055.db2.gz FJZPSBNNVFCBLD-UHFFFAOYSA-N 0 0 346.349 4.104 50 0 EIAARN COCCn1ccc2cc(NC(=O)c3nccc4ccccc43)ccc21 ZINC000083914495 564064604 /nfs/dbraw/zinc/06/46/04/564064604.db2.gz UZPZWLIQBGLZNO-UHFFFAOYSA-N 0 0 345.402 4.088 50 0 EIAARN COc1ccc(NC(=O)C(F)(F)Oc2ccc(Cl)cc2C)cc1 ZINC000001396709 564064893 /nfs/dbraw/zinc/06/48/93/564064893.db2.gz LVEULINUEVWRIE-UHFFFAOYSA-N 0 0 341.741 4.267 50 0 EIAARN COc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1 ZINC000001400522 564064983 /nfs/dbraw/zinc/06/49/83/564064983.db2.gz CEZLSSOVJUJTJF-UHFFFAOYSA-N 0 0 341.354 4.445 50 0 EIAARN CN(C)c1nc(SCc2ccccc2Cl)nc2c1CCCC2 ZINC000001403599 564065072 /nfs/dbraw/zinc/06/50/72/564065072.db2.gz FXWAORWTZYSEBU-UHFFFAOYSA-N 0 0 333.888 4.367 50 0 EIAARN Cc1c([C@@H](C)OC(=O)Nc2cccc(Cl)c2)sc2ncnn12 ZINC000001404963 564065128 /nfs/dbraw/zinc/06/51/28/564065128.db2.gz WZEXJASVGJIFHC-SECBINFHSA-N 0 0 336.804 4.062 50 0 EIAARN Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccc(F)cc1 ZINC000084013664 564065789 /nfs/dbraw/zinc/06/57/89/564065789.db2.gz WWHDBTYQDUGQEF-UHFFFAOYSA-N 0 0 343.333 4.051 50 0 EIAARN Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000084023039 564065824 /nfs/dbraw/zinc/06/58/24/564065824.db2.gz PMEOLXJHEQITJR-JTQLQIEISA-N 0 0 347.390 4.245 50 0 EIAARN CO[C@H]1CCCC[C@H]1OC(=O)c1sc(Cc2ccccc2)nc1C ZINC000084064417 564066063 /nfs/dbraw/zinc/06/60/63/564066063.db2.gz BPOZIUSPGKIUOM-JKSUJKDBSA-N 0 0 345.464 4.157 50 0 EIAARN Cc1nnc([C@@H]2CCCN2CCOc2ccc(C(C)C)c(C)c2)o1 ZINC000084090064 564066442 /nfs/dbraw/zinc/06/64/42/564066442.db2.gz HJCKINGZGJFRBY-SFHVURJKSA-N 0 0 329.444 4.026 50 0 EIAARN COc1cc(OC)cc(-c2nc(-c3cc(C)nc4ccccc43)no2)c1 ZINC000001426594 564066761 /nfs/dbraw/zinc/06/67/61/564066761.db2.gz YBBFLYJPZJNGGI-UHFFFAOYSA-N 0 0 347.374 4.277 50 0 EIAARN Cc1nc2sc(C(=O)N(C)Cc3ccccc3)c(N)c2c(C)c1C ZINC000001425733 564066766 /nfs/dbraw/zinc/06/67/66/564066766.db2.gz PINFADZCAHZEOT-UHFFFAOYSA-N 0 0 339.464 4.076 50 0 EIAARN Cc1cc(NC(=O)c2cccnc2)n(Cc2cccc3ccccc32)n1 ZINC000001429466 564066903 /nfs/dbraw/zinc/06/69/03/564066903.db2.gz YBEMALJUUCNJDV-UHFFFAOYSA-N 0 0 342.402 4.040 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccnn2Cc2ccc(C)o2)C1(C)C ZINC000084195447 564067387 /nfs/dbraw/zinc/06/73/87/564067387.db2.gz LWDANIZZCLRXGS-RDJZCZTQSA-N 0 0 327.428 4.010 50 0 EIAARN O=C(Nc1cn[nH]c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084335397 564067801 /nfs/dbraw/zinc/06/78/01/564067801.db2.gz BBDFELAILHRPIV-UHFFFAOYSA-N 0 0 338.211 4.091 50 0 EIAARN Cc1ncsc1CCSc1nnc2sc3ccccc3n12 ZINC000073969555 564068141 /nfs/dbraw/zinc/06/81/41/564068141.db2.gz OOSOTWXMTXWGBT-UHFFFAOYSA-N 0 0 332.479 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UMIWDMVRXOELCS-HNNXBMFYSA-N 0 0 347.509 4.338 50 0 EIAARN CCSCc1cccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000088390606 564079049 /nfs/dbraw/zinc/07/90/49/564079049.db2.gz UZPHMSIOUDEHNE-INIZCTEOSA-N 0 0 344.484 4.422 50 0 EIAARN Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000016087329 564079624 /nfs/dbraw/zinc/07/96/24/564079624.db2.gz XNUAIJVDXHRNBB-OAHLLOKOSA-N 0 0 325.433 4.188 50 0 EIAARN O=S(=O)(c1ccccc1Oc1ccc(Cl)cc1)C(F)(F)F ZINC000012948336 564079818 /nfs/dbraw/zinc/07/98/18/564079818.db2.gz MUCYAOYWPUEHRA-UHFFFAOYSA-N 0 0 336.718 4.426 50 0 EIAARN C[C@H](NC(=O)CCc1cscn1)c1ccc(-c2cccnc2)cc1 ZINC000075091951 564079902 /nfs/dbraw/zinc/07/99/02/564079902.db2.gz WRKKWDBIYNKWMB-AWEZNQCLSA-N 0 0 337.448 4.015 50 0 EIAARN C[C@@H](c1ccccc1F)N(C(=O)NCc1cccc(F)c1)C1CC1 ZINC000075094248 564079934 /nfs/dbraw/zinc/07/99/34/564079934.db2.gz GEBSLHIPDAJLCO-ZDUSSCGKSA-N 0 0 330.378 4.400 50 0 EIAARN Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ncnc4c3CCC4)n2)c1 ZINC000075094648 564079981 /nfs/dbraw/zinc/07/99/81/564079981.db2.gz JTALBTNHKKSUNQ-LJQANCHMSA-N 0 0 345.450 4.005 50 0 EIAARN c1c(-c2ccccc2)sc2ncnc(N3CCO[C@H]4CCC[C@@H]43)c12 ZINC000075103518 564079998 /nfs/dbraw/zinc/07/99/98/564079998.db2.gz KIJFFUDOOALQJH-HOTGVXAUSA-N 0 0 337.448 4.116 50 0 EIAARN COC[C@](C)(NC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000075106253 564080080 /nfs/dbraw/zinc/08/00/80/564080080.db2.gz BGUUQUZQFWTKQZ-KRWDZBQOSA-N 0 0 336.794 4.162 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000075106624 564080110 /nfs/dbraw/zinc/08/01/10/564080110.db2.gz UBTPKXWOYIAHBL-GJZGRUSLSA-N 0 0 335.856 4.130 50 0 EIAARN CCCNC(=O)Nc1cccc(OCc2ncc(C(C)(C)C)o2)c1 ZINC000075109791 564080288 /nfs/dbraw/zinc/08/02/88/564080288.db2.gz YLXUCFIQHGLOBN-UHFFFAOYSA-N 0 0 331.416 4.083 50 0 EIAARN CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@H](C)c1cc2ccccc2o1 ZINC000075122486 564080396 /nfs/dbraw/zinc/08/03/96/564080396.db2.gz ZOHCCSFKNWSPHQ-CQSZACIVSA-N 0 0 338.407 4.043 50 0 EIAARN Cc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)nn(C)c2C)o1 ZINC000075143303 564080646 /nfs/dbraw/zinc/08/06/46/564080646.db2.gz JSNVTHGNTHSKGI-GOSISDBHSA-N 0 0 343.471 4.015 50 0 EIAARN Cc1cc(C(=O)Nc2cc(C3CCC(C(C)(C)C)CC3)[nH]n2)on1 ZINC000075141064 564080675 /nfs/dbraw/zinc/08/06/75/564080675.db2.gz HPEASSOCUHVDEM-UHFFFAOYSA-N 0 0 330.432 4.278 50 0 EIAARN O=C(N1CCC(c2cccs2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000075157057 564080905 /nfs/dbraw/zinc/08/09/05/564080905.db2.gz NECGTYPRMDXZPK-UHFFFAOYSA-N 0 0 329.440 4.325 50 0 EIAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)c1c[nH]c2ccccc21 ZINC000075260465 564081257 /nfs/dbraw/zinc/08/12/57/564081257.db2.gz MHUKABOCYXBGKD-HBUWYVDXSA-N 0 0 327.424 4.355 50 0 EIAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)CC(C)(C)C)n2)cc1 ZINC000035318816 564081906 /nfs/dbraw/zinc/08/19/06/564081906.db2.gz HHRZGQGIZAKILL-OAHLLOKOSA-N 0 0 327.428 4.145 50 0 EIAARN CCOc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)cc1 ZINC000075346786 564081940 /nfs/dbraw/zinc/08/19/40/564081940.db2.gz STHQLPGYTFRYHG-UHFFFAOYSA-N 0 0 331.375 4.367 50 0 EIAARN Cc1nc(CNC(=O)c2oc3c(c2C)c(C)ccc3C)c(C)s1 ZINC000089196224 564082111 /nfs/dbraw/zinc/08/21/11/564082111.db2.gz VRQFLQIJCOBHBM-UHFFFAOYSA-N 0 0 328.437 4.361 50 0 EIAARN CC(C)(NCc1ncc(Br)s1)c1cccc(F)c1 ZINC000390833123 564082196 /nfs/dbraw/zinc/08/21/96/564082196.db2.gz CLAHQTUJKQAXOJ-UHFFFAOYSA-N 0 0 329.238 4.070 50 0 EIAARN Cc1ccc(NC(=O)NCC[C@@H](CCO)c2cccs2)cc1C ZINC000575606814 564082415 /nfs/dbraw/zinc/08/24/15/564082415.db2.gz JSFVVGPLQJHSRA-HNNXBMFYSA-N 0 0 332.469 4.043 50 0 EIAARN COc1cccc2cc(C(=O)NCc3ccc(-c4ccco4)o3)oc21 ZINC000575608183 564082446 /nfs/dbraw/zinc/08/24/46/564082446.db2.gz JEDYNQCRESFDFS-UHFFFAOYSA-N 0 0 337.331 4.224 50 0 EIAARN Cc1ccccc1OCC(=O)NCc1ccc(-c2cccs2)o1 ZINC000575608338 564082458 /nfs/dbraw/zinc/08/24/58/564082458.db2.gz JSXTUDDQUDOVNG-UHFFFAOYSA-N 0 0 327.405 4.012 50 0 EIAARN O=C(NCc1ccc(-c2cccs2)o1)C1(c2ccc(F)cc2)CC1 ZINC000575608743 564082475 /nfs/dbraw/zinc/08/24/75/564082475.db2.gz KNBUSGZJJZMBRN-UHFFFAOYSA-N 0 0 341.407 4.495 50 0 EIAARN O=C(NCc1ccc(-c2ccco2)o1)c1cccc(Br)c1 ZINC000575609189 564082492 /nfs/dbraw/zinc/08/24/92/564082492.db2.gz RAWRSHLLPCFTKB-UHFFFAOYSA-N 0 0 346.180 4.232 50 0 EIAARN Cc1cccc(C)c1NC(=O)CCC(=O)OCc1ccccc1Cl ZINC000006207628 564082931 /nfs/dbraw/zinc/08/29/31/564082931.db2.gz YPEAUMQUBRHPHQ-UHFFFAOYSA-N 0 0 345.826 4.419 50 0 EIAARN Cc1ccccc1[C@@H]1c2cccn2CCN1C(=O)NC1CCCCC1 ZINC000006234628 564083194 /nfs/dbraw/zinc/08/31/94/564083194.db2.gz RTBVWMGUOIIQMP-HXUWFJFHSA-N 0 0 337.467 4.244 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 ZINC000006249384 564083258 /nfs/dbraw/zinc/08/32/58/564083258.db2.gz GRBWQQVCQNNQLS-VIFPVBQESA-N 0 0 330.236 4.139 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000006249000 564083265 /nfs/dbraw/zinc/08/32/65/564083265.db2.gz KPRWXCJWJGGTHC-KRWDZBQOSA-N 0 0 338.451 4.391 50 0 EIAARN CC(C)CCSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000007997176 564083411 /nfs/dbraw/zinc/08/34/11/564083411.db2.gz PTMUTEVUUJBURO-LBPRGKRZSA-N 0 0 341.477 4.280 50 0 EIAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(CC)cc2)s1 ZINC000006283939 564083577 /nfs/dbraw/zinc/08/35/77/564083577.db2.gz NOFHKCKWEYLBBL-UHFFFAOYSA-N 0 0 348.493 4.468 50 0 EIAARN O=C(NCc1cncc(-c2ccco2)c1)c1cccc2ccccc21 ZINC000575618218 564083619 /nfs/dbraw/zinc/08/36/19/564083619.db2.gz KFCDUFMAGKDZMR-UHFFFAOYSA-N 0 0 328.371 4.425 50 0 EIAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cnccn4)cc3)sc2c1 ZINC000006296322 564083669 /nfs/dbraw/zinc/08/36/69/564083669.db2.gz PXAFNEDOMFHVPF-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1 ZINC000575619281 564083779 /nfs/dbraw/zinc/08/37/79/564083779.db2.gz CAMJYFKCGRDNPJ-UHFFFAOYSA-N 0 0 336.391 4.059 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2C)cc1 ZINC000075437093 564084755 /nfs/dbraw/zinc/08/47/55/564084755.db2.gz LXLVDOBUXZNZIR-UHFFFAOYSA-N 0 0 345.402 4.215 50 0 EIAARN Cc1ccc(-c2ncc(C(=O)Nc3ccc(F)c(F)c3)c(C)n2)cc1 ZINC000075437190 564084758 /nfs/dbraw/zinc/08/47/58/564084758.db2.gz MKVNWVOZUKBUOC-UHFFFAOYSA-N 0 0 339.345 4.291 50 0 EIAARN Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCc4ccccc43)c2)o1 ZINC000266027473 564084862 /nfs/dbraw/zinc/08/48/62/564084862.db2.gz BQEGOOGVXSZBGD-SFHVURJKSA-N 0 0 333.391 4.104 50 0 EIAARN Cc1csc(SCC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 ZINC000090608136 564084918 /nfs/dbraw/zinc/08/49/18/564084918.db2.gz QCPXTDLSZNKJBB-OAHLLOKOSA-N 0 0 336.526 4.139 50 0 EIAARN CCOc1ccc(-c2nnc(NC(=O)c3cc(C)cc(C)c3)o2)cc1 ZINC000012977470 564084945 /nfs/dbraw/zinc/08/49/45/564084945.db2.gz XRTBXWWUZAZBAE-UHFFFAOYSA-N 0 0 337.379 4.004 50 0 EIAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ccccc1 ZINC000006344227 564085176 /nfs/dbraw/zinc/08/51/76/564085176.db2.gz VKABSJLVOZMXQQ-UHFFFAOYSA-N 0 0 335.403 4.007 50 0 EIAARN CC[C@H](C)Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000006358368 564085287 /nfs/dbraw/zinc/08/52/87/564085287.db2.gz YODZFVHETPEETC-VIFPVBQESA-N 0 0 334.832 4.065 50 0 EIAARN COC(=O)c1ccc(CSc2nnc(C3CCCCC3)o2)cc1 ZINC000006374260 564085319 /nfs/dbraw/zinc/08/53/19/564085319.db2.gz NNSYUACAWTUWIU-UHFFFAOYSA-N 0 0 332.425 4.196 50 0 EIAARN Cc1ccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000012985290 564085802 /nfs/dbraw/zinc/08/58/02/564085802.db2.gz OLAZSNDDWPWOKN-IBGZPJMESA-N 0 0 329.827 4.295 50 0 EIAARN CCCc1nc2cc(CCC(=O)NCCCc3ccccc3)ccc2[nH]1 ZINC000075465630 564086018 /nfs/dbraw/zinc/08/60/18/564086018.db2.gz FDZZKFLZBUSYEW-UHFFFAOYSA-N 0 0 349.478 4.197 50 0 biogenic EIAARN CCOc1ccc2nc(NC(=O)c3cc(F)ccc3F)sc2c1 ZINC000013014415 564086795 /nfs/dbraw/zinc/08/67/95/564086795.db2.gz AUVUWNWQTLFFIN-UHFFFAOYSA-N 0 0 334.347 4.226 50 0 EIAARN Cc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)NCC2CC2)cc1 ZINC000075508942 564087318 /nfs/dbraw/zinc/08/73/18/564087318.db2.gz KUWMEAOKNOZEKO-UHFFFAOYSA-N 0 0 345.446 4.047 50 0 EIAARN Cc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)NC(C)C)cc1 ZINC000075508920 564087320 /nfs/dbraw/zinc/08/73/20/564087320.db2.gz GCIVPJPDOXYRTH-UHFFFAOYSA-N 0 0 333.435 4.045 50 0 EIAARN COc1c(F)cc(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1F ZINC000064302554 564087421 /nfs/dbraw/zinc/08/74/21/564087421.db2.gz AHYYPSOUDGZJMF-UHFFFAOYSA-N 0 0 347.361 4.092 50 0 EIAARN COc1ccc(CCC(=O)Nc2cc(-c3cc[nH]n3)sc2C)cc1 ZINC000075519261 564087616 /nfs/dbraw/zinc/08/76/16/564087616.db2.gz XPSZSBOCZKEYMO-UHFFFAOYSA-N 0 0 341.436 4.027 50 0 EIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CCCCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000239415360 564088125 /nfs/dbraw/zinc/08/81/25/564088125.db2.gz UFQWQGQEWQONBQ-BRSBDYLESA-N 0 0 336.520 4.126 50 0 EIAARN CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000241942366 564088440 /nfs/dbraw/zinc/08/84/40/564088440.db2.gz ULYLRUWNCIPQDB-HLIPFELVSA-N 0 0 344.499 4.012 50 0 EIAARN CN(Cc1cnc(-c2cccs2)s1)Cc1cc(Cl)cn1C ZINC000091931113 564088804 /nfs/dbraw/zinc/08/88/04/564088804.db2.gz ZIUZGCACZAXIIP-UHFFFAOYSA-N 0 0 337.901 4.496 50 0 EIAARN CCOP(=O)(Cc1cc(C(=O)C(F)(F)F)oc1C)OCC ZINC000001869045 564088962 /nfs/dbraw/zinc/08/89/62/564088962.db2.gz IUMHUJZYYXCRKA-UHFFFAOYSA-N 0 0 328.223 4.099 50 0 EIAARN COc1ccccc1COc1ccccc1C(=O)NCc1ccccc1 ZINC000006462530 564089233 /nfs/dbraw/zinc/08/92/33/564089233.db2.gz SEIDNEMOCVVVNE-UHFFFAOYSA-N 0 0 347.414 4.204 50 0 EIAARN CN(C)c1ccc(C(F)(F)F)cc1NCc1cnc2ccccn12 ZINC000089326643 564089674 /nfs/dbraw/zinc/08/96/74/564089674.db2.gz VCQYYLNWBBCSOZ-UHFFFAOYSA-N 0 0 334.345 4.031 50 0 EIAARN Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)Cc2ccsc2)s1 ZINC000075606876 564089784 /nfs/dbraw/zinc/08/97/84/564089784.db2.gz HVGCUVBPTOWEDC-JQWIXIFHSA-N 0 0 337.514 4.155 50 0 EIAARN CN(Cc1cscn1)Cc1cccc(NCc2cccs2)c1 ZINC000089361119 564089814 /nfs/dbraw/zinc/08/98/14/564089814.db2.gz MLCTVVXPBZIRCS-UHFFFAOYSA-N 0 0 329.494 4.449 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2nc3c(ccc(C)c3C)s2)c1 ZINC000006478534 564089982 /nfs/dbraw/zinc/08/99/82/564089982.db2.gz VSHDXXWQSXTKRQ-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN COc1ccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2C)cc1 ZINC000000452733 564090535 /nfs/dbraw/zinc/09/05/35/564090535.db2.gz DGVYQOPTGWTJJW-UHFFFAOYSA-N 0 0 348.354 4.396 50 0 biogenic EIAARN COc1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1 ZINC000000488977 564090544 /nfs/dbraw/zinc/09/05/44/564090544.db2.gz LEAUMJSWZDOJFE-UHFFFAOYSA-N 0 0 330.767 4.342 50 0 biogenic EIAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12 ZINC000002114878 564090632 /nfs/dbraw/zinc/09/06/32/564090632.db2.gz HKOMFPDONASGQU-UHFFFAOYSA-N 0 0 326.348 4.256 50 0 biogenic EIAARN COc1ccc(Cl)cc1CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000089457427 564090675 /nfs/dbraw/zinc/09/06/75/564090675.db2.gz JFYMYRYHFNCYIZ-UHFFFAOYSA-N 0 0 347.846 4.168 50 0 EIAARN C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)N(C)c1ccccc1 ZINC000006506235 564091090 /nfs/dbraw/zinc/09/10/90/564091090.db2.gz YYICZWUQUAQBKX-NSHDSACASA-N 0 0 345.855 4.360 50 0 EIAARN Cc1ccc(C(O)=C2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1C ZINC000064450238 564091377 /nfs/dbraw/zinc/09/13/77/564091377.db2.gz QPDUJDIUXFGWPP-MRXNPFEDSA-N 0 0 345.402 4.002 50 0 EIAARN CC(C)[C@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000006553525 564092015 /nfs/dbraw/zinc/09/20/15/564092015.db2.gz UHCDKPXVBRCWHP-SFHVURJKSA-N 0 0 345.826 4.238 50 0 EIAARN Cc1cc(NC(=O)c2c[nH]nc2C2CC2)ccc1Oc1ccncc1 ZINC000192588489 564092100 /nfs/dbraw/zinc/09/21/00/564092100.db2.gz OVMFEVIHVNUWHK-UHFFFAOYSA-N 0 0 334.379 4.035 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1N1CCCCC1 ZINC000006579404 564092215 /nfs/dbraw/zinc/09/22/15/564092215.db2.gz IYSZZNJBRZJPLE-UHFFFAOYSA-N 0 0 333.435 4.339 50 0 EIAARN Cc1nc2ccccc2n1CCNC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006585210 564092347 /nfs/dbraw/zinc/09/23/47/564092347.db2.gz KVQYZLNFQRQBDI-UHFFFAOYSA-N 0 0 342.830 4.128 50 0 EIAARN CCCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000006588927 564092373 /nfs/dbraw/zinc/09/23/73/564092373.db2.gz IEVKTKGXMUWBOV-UHFFFAOYSA-N 0 0 333.435 4.116 50 0 EIAARN C[C@H](Nc1ccc2c(c1)OCCCO2)c1nc(-c2cccs2)no1 ZINC000026994074 564092763 /nfs/dbraw/zinc/09/27/63/564092763.db2.gz OISSBMCALOSVRX-NSHDSACASA-N 0 0 343.408 4.133 50 0 EIAARN Cc1c(C(=O)N[C@H](CC(C)C)c2ccccc2)sc2nccn12 ZINC000089565357 564092891 /nfs/dbraw/zinc/09/28/91/564092891.db2.gz GSTZZHNZLVXTTG-OAHLLOKOSA-N 0 0 327.453 4.221 50 0 EIAARN C[C@H](Sc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cn1 ZINC000006609183 564093252 /nfs/dbraw/zinc/09/32/52/564093252.db2.gz YGCDVYZTQUACGW-NSHDSACASA-N 0 0 332.856 4.343 50 0 EIAARN Cc1ncsc1CCNC(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000426510459 564093966 /nfs/dbraw/zinc/09/39/66/564093966.db2.gz VMFZRWBCIMUQOK-INIZCTEOSA-N 0 0 347.459 4.070 50 0 EIAARN COCCN(CC1CC1)C(=O)c1ccc(-c2cccc3cc[nH]c32)cc1 ZINC000426510874 564093971 /nfs/dbraw/zinc/09/39/71/564093971.db2.gz QSYCQJCWGSMHLT-UHFFFAOYSA-N 0 0 348.446 4.334 50 0 EIAARN Cc1ccc(NC(=O)N2CC=C(C)CC2)cc1NC(=O)C1CCCC1 ZINC000426628300 564094269 /nfs/dbraw/zinc/09/42/69/564094269.db2.gz OMNNMFPPJROKAH-UHFFFAOYSA-N 0 0 341.455 4.308 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)c1ccc(-c2ccc(C)nc2C)cc1 ZINC000426662540 564094355 /nfs/dbraw/zinc/09/43/55/564094355.db2.gz WHRYLGAGGSYESA-UHFFFAOYSA-N 0 0 349.434 4.242 50 0 EIAARN CC(=O)c1ccccc1-c1cccc(C(=O)N2CCC(F)(F)CC2)c1 ZINC000426705595 564094409 /nfs/dbraw/zinc/09/44/09/564094409.db2.gz FLNKVRKFQJBYOI-UHFFFAOYSA-N 0 0 343.373 4.428 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)N[C@H]1COC2(C1)CCCCC2 ZINC000426701549 564094421 /nfs/dbraw/zinc/09/44/21/564094421.db2.gz DRIFLKBOONWDQS-CQSZACIVSA-N 0 0 339.888 4.040 50 0 EIAARN CCCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C ZINC000006610329 564094500 /nfs/dbraw/zinc/09/45/00/564094500.db2.gz IQRHTIPCNNHNLQ-UHFFFAOYSA-N 0 0 344.480 4.448 50 0 EIAARN CCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000006617512 564094561 /nfs/dbraw/zinc/09/45/61/564094561.db2.gz AHGUAXOFYXDFSN-UHFFFAOYSA-N 0 0 343.467 4.183 50 0 EIAARN CC(C)CCC[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000006627734 564094679 /nfs/dbraw/zinc/09/46/79/564094679.db2.gz ZVONHDMJJYONDM-NSHDSACASA-N 0 0 338.300 4.487 50 0 EIAARN O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000066310892 564094803 /nfs/dbraw/zinc/09/48/03/564094803.db2.gz RRNREZBBGITYMO-MSOLQXFVSA-N 0 0 346.430 4.338 50 0 EIAARN COc1cc(OC)c(NC(=O)n2ncc3cc(C)ccc32)cc1Cl ZINC000064662563 564094839 /nfs/dbraw/zinc/09/48/39/564094839.db2.gz IXGXYTSYBAKMDS-UHFFFAOYSA-N 0 0 345.786 4.096 50 0 EIAARN Cc1ccc(-c2nn(C)cc2CCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000064659684 564094886 /nfs/dbraw/zinc/09/48/86/564094886.db2.gz YJWRBBHULBGSCJ-QGZVFWFLSA-N 0 0 347.462 4.206 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1 ZINC000006649111 564095088 /nfs/dbraw/zinc/09/50/88/564095088.db2.gz UGIBBYGKAXRBPX-UHFFFAOYSA-N 0 0 329.787 4.012 50 0 EIAARN CC(C)CCNc1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1 ZINC000064676945 564095254 /nfs/dbraw/zinc/09/52/54/564095254.db2.gz MSCSNCGDJPIWDQ-UHFFFAOYSA-N 0 0 326.375 4.396 50 0 EIAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)NC(C)C)n2)cc1 ZINC000064677207 564095261 /nfs/dbraw/zinc/09/52/61/564095261.db2.gz ZDGHOAXGXURCFU-UHFFFAOYSA-N 0 0 339.464 4.112 50 0 EIAARN COc1ccccc1C(=O)N1CCC(CCOc2ccccc2)CC1 ZINC000064678020 564095315 /nfs/dbraw/zinc/09/53/15/564095315.db2.gz QEBBOOKUBYMWKX-UHFFFAOYSA-N 0 0 339.435 4.017 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC(CCOc2ccccc2F)CC1 ZINC000064678057 564095340 /nfs/dbraw/zinc/09/53/40/564095340.db2.gz UMNGJUPUMVBKEG-UHFFFAOYSA-N 0 0 345.389 4.286 50 0 EIAARN CC(C)n1nnc2cc(C(=O)Nc3ccc(F)cc3Cl)ccc21 ZINC000064818493 564096527 /nfs/dbraw/zinc/09/65/27/564096527.db2.gz LHDOEPKDXYJFBH-UHFFFAOYSA-N 0 0 332.766 4.057 50 0 EIAARN Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c(C)c1 ZINC000064818528 564096560 /nfs/dbraw/zinc/09/65/60/564096560.db2.gz WPIZRAAONKEUEI-UHFFFAOYSA-N 0 0 334.423 4.416 50 0 EIAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000064837822 564096774 /nfs/dbraw/zinc/09/67/74/564096774.db2.gz GBPIJMGFERFLAZ-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1 ZINC000064844721 564096834 /nfs/dbraw/zinc/09/68/34/564096834.db2.gz UUIJQXMSPBOVHI-UHFFFAOYSA-N 0 0 347.374 4.069 50 0 EIAARN O=C(COc1ccccc1Cl)N(Cc1ccco1)Cc1ccco1 ZINC000006747357 564096892 /nfs/dbraw/zinc/09/68/92/564096892.db2.gz VZBOLQHPLBXCMF-UHFFFAOYSA-N 0 0 345.782 4.134 50 0 EIAARN CC(C)CCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000006752575 564097159 /nfs/dbraw/zinc/09/71/59/564097159.db2.gz HEXURXSTFIGXRQ-UHFFFAOYSA-N 0 0 341.499 4.321 50 0 EIAARN CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1cc(C)ccc1C ZINC000006752368 564097178 /nfs/dbraw/zinc/09/71/78/564097178.db2.gz NVWRKHHERULGDL-MRXNPFEDSA-N 0 0 340.452 4.084 50 0 EIAARN Cc1ccc(Nc2n[nH]nc2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000064871280 564097253 /nfs/dbraw/zinc/09/72/53/564097253.db2.gz QESIUGJMEUHBKD-UHFFFAOYSA-N 0 0 341.802 4.071 50 0 EIAARN COc1ccccc1-c1nc2c3c(C)c(C)n(CC(C)C)c3ncn2n1 ZINC000006760189 564097298 /nfs/dbraw/zinc/09/72/98/564097298.db2.gz HNCZRQLUNREKLQ-UHFFFAOYSA-N 0 0 349.438 4.027 50 0 EIAARN Cc1ccc(C)c(NC(=O)Nc2nnc(N3CCCCCC3)s2)c1 ZINC000006768100 564097451 /nfs/dbraw/zinc/09/74/51/564097451.db2.gz SUZZCAJDZLQRJZ-UHFFFAOYSA-N 0 0 345.472 4.179 50 0 EIAARN CCc1c(C(=O)NC(C)C)c(CC(C)C)nn1-c1ccccc1C ZINC000006773913 564097564 /nfs/dbraw/zinc/09/75/64/564097564.db2.gz MKBSAZYOJPOUJH-UHFFFAOYSA-N 0 0 327.472 4.080 50 0 EIAARN Cc1cccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)C[C@H]2C)c1 ZINC000006804058 564098322 /nfs/dbraw/zinc/09/83/22/564098322.db2.gz PULQGIOBTHNINJ-OAHLLOKOSA-N 0 0 343.858 4.391 50 0 EIAARN C[C@H](CNC(=O)c1cc2sc(Cl)cc2n1C)c1ccccc1 ZINC000006804701 564098355 /nfs/dbraw/zinc/09/83/55/564098355.db2.gz QLYVMFDZHMMEMV-LLVKDONJSA-N 0 0 332.856 4.427 50 0 EIAARN Cc1cc(C)cc(OC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)c1 ZINC000064977261 564098825 /nfs/dbraw/zinc/09/88/25/564098825.db2.gz OKONBVJJCHGPCO-UHFFFAOYSA-N 0 0 349.430 4.494 50 0 EIAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccccc2F)n1 ZINC000006820933 564098867 /nfs/dbraw/zinc/09/88/67/564098867.db2.gz MUHDAVYKGWIFMM-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccs2)on1 ZINC000006829229 564098958 /nfs/dbraw/zinc/09/89/58/564098958.db2.gz ULIALALMPOKBRC-UHFFFAOYSA-N 0 0 342.464 4.349 50 0 EIAARN CC[C@H](C(=O)Nc1ccncc1F)c1cccc(C(F)(F)F)c1 ZINC000156470743 564099299 /nfs/dbraw/zinc/09/92/99/564099299.db2.gz PACAYJOAAJPABF-LBPRGKRZSA-N 0 0 326.293 4.372 50 0 EIAARN CCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2)c1 ZINC000006837062 564099330 /nfs/dbraw/zinc/09/93/30/564099330.db2.gz XQPXZGDVBRBIKU-LJQANCHMSA-N 0 0 340.448 4.204 50 0 EIAARN CC[C@@H](C)NC(=O)C1(c2ccc(NC(=O)C(C)C)cc2)CCCCC1 ZINC000065027393 564099667 /nfs/dbraw/zinc/09/96/67/564099667.db2.gz WOOMNJFHHPKEJD-MRXNPFEDSA-N 0 0 344.499 4.398 50 0 EIAARN CCCCNC(=O)C1(c2ccc(NC(=O)C(C)C)cc2)CCCCC1 ZINC000065027418 564099674 /nfs/dbraw/zinc/09/96/74/564099674.db2.gz LFHCSCQWBTZXHG-UHFFFAOYSA-N 0 0 344.499 4.399 50 0 EIAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)C3CC3)cc21 ZINC000065034183 564099886 /nfs/dbraw/zinc/09/98/86/564099886.db2.gz CNOSGXKFCBXBFI-UHFFFAOYSA-N 0 0 336.366 4.398 50 0 EIAARN Cn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1 ZINC000006861570 564099891 /nfs/dbraw/zinc/09/98/91/564099891.db2.gz DSVRECKJQIBTAP-UHFFFAOYSA-N 0 0 345.855 4.340 50 0 EIAARN CCOc1ccc(Nc2cc(C(=O)OC)nc3ccc(F)cc32)cc1 ZINC000065033591 564099892 /nfs/dbraw/zinc/09/98/92/564099892.db2.gz LBCJYMNCKVGRFQ-UHFFFAOYSA-N 0 0 340.354 4.303 50 0 EIAARN O=C(CCC1CCCC1)Nc1cccc(-c2nnc3n2CCCC3)c1 ZINC000169755511 564100180 /nfs/dbraw/zinc/10/01/80/564100180.db2.gz PWMVZHPSAJHEQM-UHFFFAOYSA-N 0 0 338.455 4.190 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000157101883 564100293 /nfs/dbraw/zinc/10/02/93/564100293.db2.gz VCZUHYUIDNPGGL-UXHICEINSA-N 0 0 338.451 4.085 50 0 EIAARN CCOC(=O)c1cccc(NC(=O)N2CCSc3ccccc32)c1 ZINC000006876857 564100316 /nfs/dbraw/zinc/10/03/16/564100316.db2.gz ADGYOTZAZGXTCZ-UHFFFAOYSA-N 0 0 342.420 4.008 50 0 EIAARN Cc1ccc(-c2nc(-c3ccc(C(=O)N4CCCC4)s3)no2)cc1 ZINC000065062928 564100542 /nfs/dbraw/zinc/10/05/42/564100542.db2.gz LLZLLRCTAURNQA-UHFFFAOYSA-N 0 0 339.420 4.010 50 0 EIAARN CNC(=O)c1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000006881864 564100598 /nfs/dbraw/zinc/10/05/98/564100598.db2.gz DXJGEAKGIOVIQY-UHFFFAOYSA-N 0 0 346.386 4.091 50 0 EIAARN O=C(/C=C/c1ccccc1F)Nc1nnc(C2CCCCC2)s1 ZINC000006884406 564100642 /nfs/dbraw/zinc/10/06/42/564100642.db2.gz DBVDJCQDYPABJX-ZHACJKMWSA-N 0 0 331.416 4.377 50 0 EIAARN COc1ccc(-c2nc(-c3oc4ccc(OC)cc4c3C)no2)cc1 ZINC000065097277 564101039 /nfs/dbraw/zinc/10/10/39/564101039.db2.gz IMVCTQZAKSFSHA-UHFFFAOYSA-N 0 0 336.347 4.475 50 0 biogenic EIAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(F)cc2)n1 ZINC000065114243 564101227 /nfs/dbraw/zinc/10/12/27/564101227.db2.gz RGUNBVMTTITXJI-UHFFFAOYSA-N 0 0 339.370 4.386 50 0 EIAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Cl)c1C ZINC000065114104 564101338 /nfs/dbraw/zinc/10/13/38/564101338.db2.gz YUXXWIFMAYRECQ-UHFFFAOYSA-N 0 0 341.798 4.430 50 0 EIAARN O=c1c(SCc2ccc(F)cc2Cl)nccn1-c1ccccc1 ZINC000006915190 564101428 /nfs/dbraw/zinc/10/14/28/564101428.db2.gz SQIDVTKNUZMWJI-UHFFFAOYSA-N 0 0 346.814 4.317 50 0 EIAARN CC(C)n1c(=O)oc2cc(-c3noc(/C=C/c4ccccc4)n3)ccc21 ZINC000065138352 564101556 /nfs/dbraw/zinc/10/15/56/564101556.db2.gz SCRQJBAZSGWLNN-DHZHZOJOSA-N 0 0 347.374 4.396 50 0 EIAARN O=C(c1ccccc1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1 ZINC000065173106 564102321 /nfs/dbraw/zinc/10/23/21/564102321.db2.gz WBWCZPAMXKFCGU-UHFFFAOYSA-N 0 0 349.409 4.031 50 0 EIAARN O=C(c1cccc(F)c1)N1CCC(CCOc2ccccc2F)CC1 ZINC000065180655 564102350 /nfs/dbraw/zinc/10/23/50/564102350.db2.gz HBQRBXJKYVZDBY-UHFFFAOYSA-N 0 0 345.389 4.286 50 0 EIAARN Cc1nn(CN(C)Cc2ccccc2)c(=S)n1-c1ccc(C)cc1 ZINC000006986099 564102630 /nfs/dbraw/zinc/10/26/30/564102630.db2.gz UBYOXARMAHWGEM-UHFFFAOYSA-N 0 0 338.480 4.110 50 0 EIAARN Cc1ccsc1-c1nnc(CC(=O)Nc2ccc(C)c(Cl)c2)o1 ZINC000065214324 564102818 /nfs/dbraw/zinc/10/28/18/564102818.db2.gz VSQYNVJEQYFNKM-UHFFFAOYSA-N 0 0 347.827 4.250 50 0 EIAARN CC(C)n1nc(CNC(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000065219814 564102940 /nfs/dbraw/zinc/10/29/40/564102940.db2.gz MMVOCRAKIZUHQP-UHFFFAOYSA-N 0 0 327.815 4.201 50 0 EIAARN O=C(NC[C@]1(c2ccccc2)CCCOCC1)c1cccc(Cl)c1 ZINC000065226122 564103099 /nfs/dbraw/zinc/10/30/99/564103099.db2.gz OLABWWQMIPVPKS-FQEVSTJZSA-N 0 0 343.854 4.208 50 0 EIAARN Cc1ccc(C[C@H]2CCCN(Cc3noc(CC(C)C)n3)C2)cc1 ZINC000065254203 564103492 /nfs/dbraw/zinc/10/34/92/564103492.db2.gz DCIGGPDFGMXYGK-GOSISDBHSA-N 0 0 327.472 4.031 50 0 EIAARN Cc1nnc(-c2nnc(NCCCc3ccccc3)c3ccccc32)o1 ZINC000065258128 564103556 /nfs/dbraw/zinc/10/35/56/564103556.db2.gz JXQLVZLTNLPNFK-UHFFFAOYSA-N 0 0 345.406 4.033 50 0 EIAARN COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000013152573 564103693 /nfs/dbraw/zinc/10/36/93/564103693.db2.gz QTQMVTBFHUBMEZ-UHFFFAOYSA-N 0 0 339.273 4.068 50 0 EIAARN COc1cccc(C2=N/C(=C\c3ccc4ccccc4c3)C(=O)O2)c1 ZINC000007058239 564104006 /nfs/dbraw/zinc/10/40/06/564104006.db2.gz FWTVQSUFZOZIPG-UNOMPAQXSA-N 0 0 329.355 4.193 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1C ZINC000007070480 564104206 /nfs/dbraw/zinc/10/42/06/564104206.db2.gz DLGIJKLOGBPELV-UHFFFAOYSA-N 0 0 342.826 4.336 50 0 EIAARN O=C(OCc1nc(-c2cccs2)no1)c1cccc2ccccc21 ZINC000007155006 564105467 /nfs/dbraw/zinc/10/54/67/564105467.db2.gz YFHPBRPVFGVABK-UHFFFAOYSA-N 0 0 336.372 4.308 50 0 EIAARN COc1ccc(Nc2nc(COC(=O)c3ccsc3)cs2)cc1 ZINC000007149706 564105524 /nfs/dbraw/zinc/10/55/24/564105524.db2.gz OSNFGWHQACDUPC-UHFFFAOYSA-N 0 0 346.433 4.314 50 0 EIAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000007195948 564105701 /nfs/dbraw/zinc/10/57/01/564105701.db2.gz WNNMMIHARHYYNG-UHFFFAOYSA-N 0 0 349.799 4.022 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)NC(C)(C)c1ccccc1 ZINC000065436733 564105990 /nfs/dbraw/zinc/10/59/90/564105990.db2.gz AFZSYVNWLBNDPT-UHFFFAOYSA-N 0 0 337.448 4.179 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000007269229 564106163 /nfs/dbraw/zinc/10/61/63/564106163.db2.gz GNCDALBFOQIXCD-YOEHRIQHSA-N 0 0 327.449 4.116 50 0 EIAARN O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cccnc1 ZINC000065477254 564106276 /nfs/dbraw/zinc/10/62/76/564106276.db2.gz NHXQIUSOUDFBFC-UHFFFAOYSA-N 0 0 347.346 4.059 50 0 EIAARN CCOc1ccccc1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000007310948 564106610 /nfs/dbraw/zinc/10/66/10/564106610.db2.gz WIXSIFITMVLXEW-UHFFFAOYSA-N 0 0 332.403 4.375 50 0 EIAARN C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000007308972 564106689 /nfs/dbraw/zinc/10/66/89/564106689.db2.gz IJJFDLAIHWZLFF-QMMMGPOBSA-N 0 0 336.265 4.094 50 0 EIAARN O=C(/C=C(\c1ccccc1)C(F)(F)F)N(Cc1cccnc1)C1CC1 ZINC000065533086 564107185 /nfs/dbraw/zinc/10/71/85/564107185.db2.gz HNNFBLUUICFTQR-GZTJUZNOSA-N 0 0 346.352 4.219 50 0 EIAARN Cc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000007346006 564107276 /nfs/dbraw/zinc/10/72/76/564107276.db2.gz TYDSYIXXECKJBC-UHFFFAOYSA-N 0 0 333.391 4.176 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1C(=S)NCCc1ccccc1 ZINC000007403854 564107913 /nfs/dbraw/zinc/10/79/13/564107913.db2.gz HURSNSNORBNSAW-MRXNPFEDSA-N 0 0 330.522 4.175 50 0 EIAARN C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)c(Cl)c1 ZINC000065611463 564108323 /nfs/dbraw/zinc/10/83/23/564108323.db2.gz GUWZZDYXNPBGSQ-LLVKDONJSA-N 0 0 349.789 4.131 50 0 EIAARN O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)C1=CCCCO1 ZINC000170593890 564108984 /nfs/dbraw/zinc/10/89/84/564108984.db2.gz JSIKXSDFJHQEQV-UHFFFAOYSA-N 0 0 332.419 4.229 50 0 EIAARN C[S@@](=O)c1cccc(N[C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000170594424 564109024 /nfs/dbraw/zinc/10/90/24/564109024.db2.gz LYCQSKLLUKYIPA-NTKDMRAZSA-N 0 0 340.423 4.160 50 0 EIAARN C=Cc1ccc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000170595938 564109067 /nfs/dbraw/zinc/10/90/67/564109067.db2.gz UQPJSJSPDAJHLN-GFCCVEGCSA-N 0 0 337.354 4.010 50 0 EIAARN Cc1nc(NC(=O)[C@H]2CC2(Cl)Cl)c(-c2ccccc2)s1 ZINC000170595457 564109069 /nfs/dbraw/zinc/10/90/69/564109069.db2.gz JKPQZKCCAVZUMV-SNVBAGLBSA-N 0 0 327.236 4.251 50 0 EIAARN c1coc(Cn2c(S[C@@H]3C[C@H]3c3ccccc3)nnc2C2CC2)c1 ZINC000170598595 564109214 /nfs/dbraw/zinc/10/92/14/564109214.db2.gz NOGGOYIMPGMKMK-DLBZAZTESA-N 0 0 337.448 4.445 50 0 EIAARN COc1cccc(N[C@H](CNC(=O)Nc2ccccc2)C(C)(C)C)c1 ZINC000170600335 564109303 /nfs/dbraw/zinc/10/93/03/564109303.db2.gz MGEHDCQCAYFKLM-GOSISDBHSA-N 0 0 341.455 4.344 50 0 EIAARN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000170602381 564109457 /nfs/dbraw/zinc/10/94/57/564109457.db2.gz XJMHAIDAVBQWPT-HZPDHXFCSA-N 0 0 327.472 4.217 50 0 EIAARN COc1ccc(CNC(=S)Nc2cccc3c(O)cccc23)cc1 ZINC000007519913 564109539 /nfs/dbraw/zinc/10/95/39/564109539.db2.gz RUFNCFHPGZSZGE-UHFFFAOYSA-N 0 0 338.432 4.041 50 0 EIAARN CC(C)(C)NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000170611633 564109760 /nfs/dbraw/zinc/10/97/60/564109760.db2.gz YTAXHVDTAXEBFX-UHFFFAOYSA-N 0 0 328.359 4.357 50 0 EIAARN CC[C@@H](NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)c1ccncc1 ZINC000170611088 564109787 /nfs/dbraw/zinc/10/97/87/564109787.db2.gz DIWMRKDGQNEQDU-KGLIPLIRSA-N 0 0 343.393 4.153 50 0 EIAARN Cc1nc(-c2ccc(CCNc3ccnc(C4CC4)n3)cc2)cs1 ZINC000170624608 564110397 /nfs/dbraw/zinc/11/03/97/564110397.db2.gz RVJJJRPSSBQGFG-UHFFFAOYSA-N 0 0 336.464 4.441 50 0 EIAARN O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626902 564110587 /nfs/dbraw/zinc/11/05/87/564110587.db2.gz NOCYJKGZGBTHMZ-FQEVSTJZSA-N 0 0 343.492 4.126 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)[C@H](C)SCc1ccccc1 ZINC000071185486 564110788 /nfs/dbraw/zinc/11/07/88/564110788.db2.gz PCZWZWVWMKLMTF-HNNXBMFYSA-N 0 0 331.485 4.341 50 0 EIAARN O=S(=O)(c1ccc(N[C@@H]2CCCc3ccccc32)cc1)C(F)F ZINC000042790390 564111122 /nfs/dbraw/zinc/11/11/22/564111122.db2.gz LKLHHAYOIXELGU-MRXNPFEDSA-N 0 0 337.391 4.172 50 0 EIAARN Cc1nnc([C@@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 ZINC000071819457 564111216 /nfs/dbraw/zinc/11/12/16/564111216.db2.gz ZGPFAHHILOUCAE-SNVBAGLBSA-N 0 0 346.818 4.113 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)C[C@H]2C)cc1 ZINC000013320381 564111426 /nfs/dbraw/zinc/11/14/26/564111426.db2.gz JSRATZRMVQLBDA-OAHLLOKOSA-N 0 0 343.858 4.391 50 0 EIAARN CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013330133 564111590 /nfs/dbraw/zinc/11/15/90/564111590.db2.gz KCMRDYNQAJGGTH-HNNXBMFYSA-N 0 0 344.263 4.423 50 0 EIAARN CCCc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000013746195 564112029 /nfs/dbraw/zinc/11/20/29/564112029.db2.gz MKDFHSLEXJQGSK-CQSZACIVSA-N 0 0 340.423 4.308 50 0 EIAARN CCOC(=O)c1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1 ZINC000013788786 564112067 /nfs/dbraw/zinc/11/20/67/564112067.db2.gz PLUYLCKZPOAVPK-UHFFFAOYSA-N 0 0 328.437 4.289 50 0 EIAARN COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000014467237 564112479 /nfs/dbraw/zinc/11/24/79/564112479.db2.gz KZSJBYJXLHWQIF-UHFFFAOYSA-N 0 0 348.402 4.086 50 0 EIAARN C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1F ZINC000014573974 564112505 /nfs/dbraw/zinc/11/25/05/564112505.db2.gz GAUFRVPUTKAKHS-VIFPVBQESA-N 0 0 329.268 4.475 50 0 EIAARN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cccc(F)c3)ncc2C1 ZINC000089642976 564112853 /nfs/dbraw/zinc/11/28/53/564112853.db2.gz KTRBJROWFKZBEQ-AWEZNQCLSA-N 0 0 327.403 4.019 50 0 EIAARN Cc1ccc(-c2nc(COc3cccc4c3CCC4=O)cs2)o1 ZINC000089656223 564112929 /nfs/dbraw/zinc/11/29/29/564112929.db2.gz POGCQOVZTKRHNW-UHFFFAOYSA-N 0 0 325.389 4.419 50 0 EIAARN Cc1ccc(-c2nc(CN3CC[C@@H](Nc4ccccc4)C3)cs2)o1 ZINC000089656217 564112941 /nfs/dbraw/zinc/11/29/41/564112941.db2.gz DYEXMUPXEVXTDR-MRXNPFEDSA-N 0 0 339.464 4.398 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000089672837 564113016 /nfs/dbraw/zinc/11/30/16/564113016.db2.gz HSMXVUGUMQRDPZ-UHFFFAOYSA-N 0 0 349.390 4.104 50 0 EIAARN Cc1cnc([C@H](NC(=O)N(Cc2ccccc2)C2CC2)C2CC2)s1 ZINC000089702380 564113199 /nfs/dbraw/zinc/11/31/99/564113199.db2.gz NWXBIOJRUKJXOA-QGZVFWFLSA-N 0 0 341.480 4.277 50 0 EIAARN CSc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1 ZINC000007572774 564113653 /nfs/dbraw/zinc/11/36/53/564113653.db2.gz KSPFBQYLMDARFW-UHFFFAOYSA-N 0 0 345.811 4.364 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000089782945 564113740 /nfs/dbraw/zinc/11/37/40/564113740.db2.gz QFFOTNGIXOEVGC-CQSZACIVSA-N 0 0 338.333 4.188 50 0 EIAARN CCc1c(C)nc(SCc2nc(-c3ccccc3)oc2C)[nH]c1=O ZINC000016840773 564113763 /nfs/dbraw/zinc/11/37/63/564113763.db2.gz CBEONFKSTBJYOC-UHFFFAOYSA-N 0 0 341.436 4.309 50 0 EIAARN O=C(Nc1nc(C2CC2)cs1)c1ccc(Oc2cccnc2)cc1 ZINC000089794086 564113834 /nfs/dbraw/zinc/11/38/34/564113834.db2.gz IKXNATMIYVZPNJ-UHFFFAOYSA-N 0 0 337.404 4.460 50 0 EIAARN O=C(CC1CCCCCC1)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000089818860 564114006 /nfs/dbraw/zinc/11/40/06/564114006.db2.gz UZDJEEBJYFNKLZ-QGZVFWFLSA-N 0 0 344.503 4.029 50 0 EIAARN O=C([C@H](N[C@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 ZINC000089825760 564114060 /nfs/dbraw/zinc/11/40/60/564114060.db2.gz AMMVVOCZZCQNTQ-LEWJYISDSA-N 0 0 334.463 4.017 50 0 EIAARN Brc1csc(CNc2cnn(-c3ccccc3)c2)c1 ZINC000089857592 564114292 /nfs/dbraw/zinc/11/42/92/564114292.db2.gz VPYZIOZPCOOTPW-UHFFFAOYSA-N 0 0 334.242 4.308 50 0 EIAARN Cc1cccc(C)c1NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000076018956 564114498 /nfs/dbraw/zinc/11/44/98/564114498.db2.gz XWJHBOWCUQAUBN-KRWDZBQOSA-N 0 0 326.396 4.115 50 0 EIAARN CC(C)(C)c1csc([C@H]2CCCCN2C(=O)Cc2cccnc2)n1 ZINC000076042881 564114716 /nfs/dbraw/zinc/11/47/16/564114716.db2.gz VAJIDTQKFVFXFQ-OAHLLOKOSA-N 0 0 343.496 4.132 50 0 EIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)s1 ZINC000076044480 564114879 /nfs/dbraw/zinc/11/48/79/564114879.db2.gz FPOYGYCUNRHSFP-MGPQQGTHSA-N 0 0 345.468 4.030 50 0 EIAARN C[C@H]1CN(c2nc3cc(C(F)(F)F)ccc3s2)CC(C)(C)O1 ZINC000076062731 564115181 /nfs/dbraw/zinc/11/51/81/564115181.db2.gz QHDZFOPPOIRXAE-VIFPVBQESA-N 0 0 330.375 4.319 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)o1 ZINC000089922274 564115443 /nfs/dbraw/zinc/11/54/43/564115443.db2.gz NHKUBOHGHBABCN-FZKQIMNGSA-N 0 0 349.434 4.013 50 0 EIAARN CC(C)Oc1ccc(Cl)cc1C(=O)N1c2ccnn2[C@@H](C)C[C@@H]1C ZINC000089920357 564115444 /nfs/dbraw/zinc/11/54/44/564115444.db2.gz VMJRHIRGFHJYPM-STQMWFEESA-N 0 0 347.846 4.324 50 0 EIAARN O=C(Nc1ccccc1-c1cccs1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000014704925 564115802 /nfs/dbraw/zinc/11/58/02/564115802.db2.gz XUINEDZIMGVFHH-KRWDZBQOSA-N 0 0 349.411 4.135 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000017041950 564116228 /nfs/dbraw/zinc/11/62/28/564116228.db2.gz CUVGSISUAFZDNL-SZPZYZBQSA-N 0 0 344.414 4.135 50 0 EIAARN Cc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1 ZINC000017051473 564116291 /nfs/dbraw/zinc/11/62/91/564116291.db2.gz UYDGAXVBRDIPFW-UHFFFAOYSA-N 0 0 343.430 4.137 50 0 EIAARN O=C(c1ccco1)N(C(=O)c1ccco1)c1ccc(Cl)cc1F ZINC000017068710 564116333 /nfs/dbraw/zinc/11/63/33/564116333.db2.gz KWJSTHADNNPKNA-UHFFFAOYSA-N 0 0 333.702 4.152 50 0 EIAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@H]1C[C@H]1C ZINC000252013288 564116371 /nfs/dbraw/zinc/11/63/71/564116371.db2.gz UBQOCBMGIIMPMR-CLCXKQKWSA-N 0 0 336.435 4.114 50 0 EIAARN C[C@H](Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000076316484 564116406 /nfs/dbraw/zinc/11/64/06/564116406.db2.gz WHMBRLRRYWDUCD-KXBFYZLASA-N 0 0 339.439 4.160 50 0 EIAARN C[C@H](NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1 ZINC000000818534 564116793 /nfs/dbraw/zinc/11/67/93/564116793.db2.gz SKVIJGBIVSPOOH-HNNXBMFYSA-N 0 0 346.430 4.111 50 0 EIAARN COc1ccc(NC(=O)Oc2cccc3c2OC(C)(C)C3)cc1OC ZINC000001446458 564116873 /nfs/dbraw/zinc/11/68/73/564116873.db2.gz JUFFWZUMAIYDNY-UHFFFAOYSA-N 0 0 343.379 4.028 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000003017256 564117116 /nfs/dbraw/zinc/11/71/16/564117116.db2.gz ZSMQECHALKAQPP-UHFFFAOYSA-N 0 0 334.327 4.375 50 0 EIAARN CCCOc1ccccc1/C=C1/N=C(c2cccc(Cl)c2)OC1=O ZINC000002081107 564117125 /nfs/dbraw/zinc/11/71/25/564117125.db2.gz IKIORWLJNKYONI-FOWTUZBSSA-N 0 0 341.794 4.473 50 0 EIAARN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1(C)C ZINC000170636642 564117317 /nfs/dbraw/zinc/11/73/17/564117317.db2.gz COKKROBPINNDRC-ZOBORPQBSA-N 0 0 335.410 4.017 50 0 EIAARN Fc1cc(Cl)c(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1F ZINC000006703100 564117415 /nfs/dbraw/zinc/11/74/15/564117415.db2.gz BDVNKDBWCBBYBQ-UHFFFAOYSA-N 0 0 336.681 4.064 50 0 EIAARN CC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccc2c(c1)OCO2 ZINC000002095822 564117598 /nfs/dbraw/zinc/11/75/98/564117598.db2.gz CMXBSXMYHNZPFE-KRWDZBQOSA-N 0 0 343.423 4.187 50 0 biogenic EIAARN CCCC[C@@H]1C[C@@H](COC(=O)c2ccc(OCC(C)C)cc2)OC1=O ZINC000002102242 564117650 /nfs/dbraw/zinc/11/76/50/564117650.db2.gz OROXZXPYZYSMQA-AEFFLSMTSA-N 0 0 348.439 4.000 50 0 biogenic EIAARN CC[C@@]1(C)C[C@](CCN2C(=O)c3ccccc3C2=O)(C(C)C)CCO1 ZINC000002109996 564118003 /nfs/dbraw/zinc/11/80/03/564118003.db2.gz BEJITXVNDNZAGW-LEWJYISDSA-N 0 0 343.467 4.294 50 0 biogenic EIAARN O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccccc1Cl ZINC000007595837 564118897 /nfs/dbraw/zinc/11/88/97/564118897.db2.gz RAZGJHPFJIQUDB-UHFFFAOYSA-N 0 0 331.202 4.265 50 0 EIAARN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)o1 ZINC000252475388 564119011 /nfs/dbraw/zinc/11/90/11/564119011.db2.gz ZOBKBGDOCLCIIY-OTWHNJEPSA-N 0 0 338.451 4.484 50 0 EIAARN Cc1cnn(CCCCC[S@@](=O)Cc2cccc3ccccc32)c1 ZINC000170643306 564119025 /nfs/dbraw/zinc/11/90/25/564119025.db2.gz DOCUBIVCIDPPCL-XMMPIXPASA-N 0 0 340.492 4.464 50 0 EIAARN COc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 ZINC000002521085 564119069 /nfs/dbraw/zinc/11/90/69/564119069.db2.gz AVYPMMGMEHOWQB-UHFFFAOYSA-N 0 0 334.213 4.143 50 0 EIAARN Cc1ccc(S(=O)(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000002522075 564119071 /nfs/dbraw/zinc/11/90/71/564119071.db2.gz WPKIFHMDEUKEEP-UHFFFAOYSA-N 0 0 338.428 4.195 50 0 EIAARN Cc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cs1 ZINC000252478330 564119106 /nfs/dbraw/zinc/11/91/06/564119106.db2.gz AJJPEMGKGQDPPZ-UHFFFAOYSA-N 0 0 326.421 4.218 50 0 EIAARN O=C(NCc1ccc(C2CC2)cc1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000252492926 564119640 /nfs/dbraw/zinc/11/96/40/564119640.db2.gz MXRUAZMZQLOQFO-UHFFFAOYSA-N 0 0 349.434 4.161 50 0 EIAARN CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(F)c(OC)c1 ZINC000252498466 564119719 /nfs/dbraw/zinc/11/97/19/564119719.db2.gz RCSOTXWHNMGXDW-UHFFFAOYSA-N 0 0 341.386 4.370 50 0 EIAARN CC(C)(C)n1nc(C(=O)N2CC[C@@H]2c2ccccc2F)cc1C1CC1 ZINC000252537516 564120571 /nfs/dbraw/zinc/12/05/71/564120571.db2.gz LMMLIDSDFXCOQP-QGZVFWFLSA-N 0 0 341.430 4.242 50 0 EIAARN CO[C@](F)(C(=O)Nc1cccc(Nc2ccccc2)c1)C(F)(F)F ZINC000002192061 564120719 /nfs/dbraw/zinc/12/07/19/564120719.db2.gz OQKYCBDKBXPKBF-OAHLLOKOSA-N 0 0 342.292 4.243 50 0 EIAARN C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000007638777 564121386 /nfs/dbraw/zinc/12/13/86/564121386.db2.gz HORPLUWYGRFJSH-LLVKDONJSA-N 0 0 329.400 4.135 50 0 EIAARN CC(=O)N[C@@H](C)CCc1ccc(-c2csc(NC(C)C)n2)cc1 ZINC000007643800 564121479 /nfs/dbraw/zinc/12/14/79/564121479.db2.gz BVVBOZQCUXBYDP-ZDUSSCGKSA-N 0 0 331.485 4.088 50 0 EIAARN COc1ccc(CN(C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000007652790 564121586 /nfs/dbraw/zinc/12/15/86/564121586.db2.gz UWILENBWJHMEIQ-OAHLLOKOSA-N 0 0 336.435 4.188 50 0 EIAARN CCN(CC)C(=O)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000007676178 564121820 /nfs/dbraw/zinc/12/18/20/564121820.db2.gz CVWHEKAGFRXLMB-KRWDZBQOSA-N 0 0 339.464 4.265 50 0 EIAARN COc1ccccc1CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065917955 564122219 /nfs/dbraw/zinc/12/22/19/564122219.db2.gz VOWSQAJEZDLVJQ-UHFFFAOYSA-N 0 0 348.446 4.125 50 0 EIAARN O=C(COc1ccccc1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000007723898 564122257 /nfs/dbraw/zinc/12/22/57/564122257.db2.gz UCQDVLINMZDJDE-UHFFFAOYSA-N 0 0 346.358 4.106 50 0 EIAARN O=C(Nc1ccc2oc3ccccc3c2c1)[C@@H]1COc2ccccc2O1 ZINC000007735204 564122390 /nfs/dbraw/zinc/12/23/90/564122390.db2.gz OECYSUWKJNCDRT-FQEVSTJZSA-N 0 0 345.354 4.365 50 0 EIAARN Cc1csc(SCC(=O)N(C)[C@H]2CCCc3ccccc32)n1 ZINC000007737675 564122466 /nfs/dbraw/zinc/12/24/66/564122466.db2.gz SRHGABBBXVYLQI-HNNXBMFYSA-N 0 0 332.494 4.080 50 0 EIAARN Cc1cc(F)ccc1NC(=O)c1cc(Br)ccc1F ZINC000007750560 564122602 /nfs/dbraw/zinc/12/26/02/564122602.db2.gz PAZBYPYEQDJFIC-UHFFFAOYSA-N 0 0 326.140 4.288 50 0 EIAARN O=C(CCN1CCCC[C@H]1c1nccs1)Nc1ccccc1Cl ZINC000195439849 564123473 /nfs/dbraw/zinc/12/34/73/564123473.db2.gz NHHBHYAKSFVDGZ-HNNXBMFYSA-N 0 0 349.887 4.352 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000007814066 564123952 /nfs/dbraw/zinc/12/39/52/564123952.db2.gz QIELKCJJAIYDRZ-MLGOLLRUSA-N 0 0 347.867 4.461 50 0 EIAARN O=C(N[C@H]1CCSc2ccccc21)c1cccc(-n2cccc2)c1 ZINC000007814499 564124002 /nfs/dbraw/zinc/12/40/02/564124002.db2.gz NCXRKYCCWVNBBQ-SFHVURJKSA-N 0 0 334.444 4.444 50 0 EIAARN O=C(Oc1ccccc1Cl)c1cc(Cl)c2c(c1)OCCCO2 ZINC000007814571 564124010 /nfs/dbraw/zinc/12/40/10/564124010.db2.gz SVNNYLLWVIMBLA-UHFFFAOYSA-N 0 0 339.174 4.374 50 0 EIAARN CCCCSc1nc2sc3c(c2c(N)n1)C[C@@H](CCC)OC3 ZINC000002223567 564124059 /nfs/dbraw/zinc/12/40/59/564124059.db2.gz GOGPPZBLGHSABH-SNVBAGLBSA-N 0 0 337.514 4.407 50 0 EIAARN Cc1cc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)no1 ZINC000007834277 564124137 /nfs/dbraw/zinc/12/41/37/564124137.db2.gz AKFWCASCTDGBNO-UHFFFAOYSA-N 0 0 327.767 4.446 50 0 EIAARN CCCCc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)cc1 ZINC000007842608 564124161 /nfs/dbraw/zinc/12/41/61/564124161.db2.gz ZJRIPKRLAVFIKJ-FQEVSTJZSA-N 0 0 338.451 4.235 50 0 EIAARN CCCCc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 ZINC000007842609 564124165 /nfs/dbraw/zinc/12/41/65/564124165.db2.gz ZJRIPKRLAVFIKJ-HXUWFJFHSA-N 0 0 338.451 4.235 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000007918914 564125234 /nfs/dbraw/zinc/12/52/34/564125234.db2.gz NOIOACYXYGILBF-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN CC(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019909287 564129080 /nfs/dbraw/zinc/12/90/80/564129080.db2.gz SNRKQRKEPJGLBN-UHFFFAOYSA-N 0 0 337.467 4.160 50 0 EIAARN COc1c(Br)c(Br)c(OC)c2ccccc21 ZINC000019910140 564129083 /nfs/dbraw/zinc/12/90/83/564129083.db2.gz LMTRUESPPIPPLL-UHFFFAOYSA-N 0 0 346.018 4.382 50 0 EIAARN Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1cccs1)=N2 ZINC000108591251 564129531 /nfs/dbraw/zinc/12/95/31/564129531.db2.gz RQQWNHVHPGVCCI-CQSZACIVSA-N 0 0 328.828 4.357 50 0 EIAARN CC[C@@H]1CCCC[C@@H]1Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC000253369969 564130282 /nfs/dbraw/zinc/13/02/82/564130282.db2.gz KPYLRJIKRKUVRS-YQOVMPOYSA-N 0 0 349.540 4.495 50 0 EIAARN CCN(C(=O)CCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1 ZINC000253392125 564130454 /nfs/dbraw/zinc/13/04/54/564130454.db2.gz UKPMOAWJFGCULD-UHFFFAOYSA-N 0 0 340.345 4.296 50 0 EIAARN CC(C)COc1ccc(CC(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1 ZINC000253418252 564130901 /nfs/dbraw/zinc/13/09/01/564130901.db2.gz MRCYENKZVSQLLZ-AWEZNQCLSA-N 0 0 345.414 4.095 50 0 EIAARN Cc1cc(C)c2c(N)c(-c3nc(-c4cccs4)no3)sc2n1 ZINC000253426812 564131153 /nfs/dbraw/zinc/13/11/53/564131153.db2.gz RJPALVYSIFJDMM-UHFFFAOYSA-N 0 0 328.422 4.274 50 0 EIAARN CCN(Cc1ccncc1)C(=O)NCCCSc1ccc(C)cc1 ZINC000584890390 564131537 /nfs/dbraw/zinc/13/15/37/564131537.db2.gz LNBCRXWWKJELFB-UHFFFAOYSA-N 0 0 343.496 4.104 50 0 EIAARN Cc1nc(C2CC2)oc1C(=O)N1CCCSc2cc(C)ccc21 ZINC000253431428 564131819 /nfs/dbraw/zinc/13/18/19/564131819.db2.gz VTXIGDPURYEXBN-UHFFFAOYSA-N 0 0 328.437 4.311 50 0 EIAARN C[C@H]1CCCc2sc3ncn4nc(-c5cccc(O)c5)nc4c3c21 ZINC000002326609 564132353 /nfs/dbraw/zinc/13/23/53/564132353.db2.gz WDJHFTCEOSKDDO-JTQLQIEISA-N 0 0 336.420 4.151 50 0 EIAARN Cc1ccc2[nH]cc(CCNC(=O)Nc3cccc(Cl)c3)c2c1 ZINC000002341270 564132422 /nfs/dbraw/zinc/13/24/22/564132422.db2.gz LBKPQTYDYCNCHA-UHFFFAOYSA-N 0 0 327.815 4.494 50 0 EIAARN Cc1cccc(-c2noc(CCC(=O)Nc3cccc(C)c3C)n2)c1 ZINC000002402460 564134580 /nfs/dbraw/zinc/13/45/80/564134580.db2.gz SHQHPVSQMOGEEY-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN CCc1noc(C)c1NC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000371610942 564134852 /nfs/dbraw/zinc/13/48/52/564134852.db2.gz HJEOMXKDUPHNJZ-PCUGXKRQSA-N 0 0 325.412 4.255 50 0 EIAARN CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012655407 564135418 /nfs/dbraw/zinc/13/54/18/564135418.db2.gz LGGHTNIMFTVTOB-HLLDMODTSA-N 0 0 345.527 4.061 50 0 biogenic EIAARN COc1cccc(-n2c(Nc3ccc(C)cc3)c3[nH]cccc-3c2=O)c1 ZINC000013366881 564136278 /nfs/dbraw/zinc/13/62/78/564136278.db2.gz HUAIVAZPFJQJFD-HXUWFJFHSA-N 0 0 345.402 4.170 50 0 EIAARN COc1cccc(NC(=O)Nc2c(C3=CCCCC3)c(C)nn2C)c1 ZINC000013365688 564136298 /nfs/dbraw/zinc/13/62/98/564136298.db2.gz SJGKUEGEGNPXCZ-UHFFFAOYSA-N 0 0 340.427 4.339 50 0 EIAARN O=C(Cn1nc(-c2ccccc2)c2ccccc21)NCc1cccs1 ZINC000013369556 564136325 /nfs/dbraw/zinc/13/63/25/564136325.db2.gz VFOJOHCIBWDODH-UHFFFAOYSA-N 0 0 347.443 4.081 50 0 EIAARN CC(C)CC(=O)Nc1cccc(N2CCn3c4ccccc4nc3C2)c1 ZINC000019855271 564138213 /nfs/dbraw/zinc/13/82/13/564138213.db2.gz KBRODMUURNEMJA-UHFFFAOYSA-N 0 0 348.450 4.041 50 0 EIAARN CSc1cccc(NC(=O)Nc2cc(C(=O)N(C)C)ccc2C)c1 ZINC000079821018 564138381 /nfs/dbraw/zinc/13/83/81/564138381.db2.gz OTLDFFKCBFOWED-UHFFFAOYSA-N 0 0 343.452 4.063 50 0 EIAARN O=C(COCc1ccccc1)N[C@H](c1ccsc1)c1cccs1 ZINC000390826317 564138461 /nfs/dbraw/zinc/13/84/61/564138461.db2.gz IBDOEHLYVGKOJL-GOSISDBHSA-N 0 0 343.473 4.232 50 0 EIAARN Cn1nncc1C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 ZINC000390833059 564138736 /nfs/dbraw/zinc/13/87/36/564138736.db2.gz BKBISTIKZZRJRB-UHFFFAOYSA-N 0 0 347.205 4.041 50 0 EIAARN Cc1nc(C2CC2)sc1C(=O)Nc1ccc(F)cc1OC(F)F ZINC000390833926 564138878 /nfs/dbraw/zinc/13/88/78/564138878.db2.gz OVRPEBPOEZRXDR-UHFFFAOYSA-N 0 0 342.342 4.322 50 0 EIAARN Cc1n[nH]cc1CNc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2 ZINC000095429098 564140281 /nfs/dbraw/zinc/14/02/81/564140281.db2.gz HTKKQRLURZGPPR-UHFFFAOYSA-N 0 0 342.443 4.018 50 0 EIAARN c1csc(-c2ncc(CNc3cccc(-c4nc[nH]n4)c3)s2)c1 ZINC000095437432 564140427 /nfs/dbraw/zinc/14/04/27/564140427.db2.gz KNLJCNDPPNFGFC-UHFFFAOYSA-N 0 0 339.449 4.269 50 0 EIAARN C[C@H]1CC(C)(C)N(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21 ZINC000095465827 564140985 /nfs/dbraw/zinc/14/09/85/564140985.db2.gz GPKCJUGOAHTCPA-HNNXBMFYSA-N 0 0 346.434 4.200 50 0 EIAARN COCc1ccsc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000095465973 564140993 /nfs/dbraw/zinc/14/09/93/564140993.db2.gz NBGYHCSELSOKLQ-UHFFFAOYSA-N 0 0 345.420 4.188 50 0 EIAARN c1c[nH]c([C@H]2CCCN2c2ncnc3scc(-c4ccccc4)c32)n1 ZINC000095467586 564141137 /nfs/dbraw/zinc/14/11/37/564141137.db2.gz SOJWTOOIIQCOOG-OAHLLOKOSA-N 0 0 347.447 4.423 50 0 EIAARN C[C@@H](c1ccccc1)N(C)C(=O)c1cc(N(C)C)nc2ccccc21 ZINC000095468982 564141215 /nfs/dbraw/zinc/14/12/15/564141215.db2.gz JWXDEGKHLVHDNH-HNNXBMFYSA-N 0 0 333.435 4.134 50 0 EIAARN Cc1nc(C(C)C)c(-c2nn3c(nnc3C(F)(F)Cl)s2)s1 ZINC000095472464 564141294 /nfs/dbraw/zinc/14/12/94/564141294.db2.gz VGABGZXYDQLCFY-UHFFFAOYSA-N 0 0 349.819 4.029 50 0 EIAARN O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1cccs1)SCC(=O)N2 ZINC000095475264 564141402 /nfs/dbraw/zinc/14/14/02/564141402.db2.gz OGFJKYCTFGJZLN-AWEZNQCLSA-N 0 0 349.481 4.167 50 0 EIAARN CC(C)n1ccc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc21 ZINC000095480592 564141558 /nfs/dbraw/zinc/14/15/58/564141558.db2.gz XZJOGGZOVHDFMM-OAQYLSRUSA-N 0 0 348.446 4.436 50 0 EIAARN CO[C@@H](C)c1cccc(NC(=O)NC[C@H](C)c2nc(C)cs2)c1 ZINC000095939107 564141925 /nfs/dbraw/zinc/14/19/25/564141925.db2.gz MBDMIBLYBUSVBC-AAEUAGOBSA-N 0 0 333.457 4.084 50 0 EIAARN O=C(NCCCn1ccc2ccccc21)NCc1cccc(Cl)c1 ZINC000095946890 564142274 /nfs/dbraw/zinc/14/22/74/564142274.db2.gz OHTLCLPZFRCSOC-UHFFFAOYSA-N 0 0 341.842 4.184 50 0 EIAARN C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N[C@@H](C)c1ccncc1 ZINC000095948076 564142302 /nfs/dbraw/zinc/14/23/02/564142302.db2.gz JZUUPCJMZHROMU-HOTGVXAUSA-N 0 0 333.435 4.226 50 0 EIAARN COc1ccccc1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000095960487 564142726 /nfs/dbraw/zinc/14/27/26/564142726.db2.gz OFMFIODGUXRPQV-UHFFFAOYSA-N 0 0 326.377 4.196 50 0 EIAARN CCc1cnc([C@@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000095968989 564143331 /nfs/dbraw/zinc/14/33/31/564143331.db2.gz JFAQBXBPEXRCND-CHWSQXEVSA-N 0 0 345.468 4.074 50 0 EIAARN CCc1noc(C)c1NC(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000095974542 564143533 /nfs/dbraw/zinc/14/35/33/564143533.db2.gz CUNZTVAMHQWTOX-UHFFFAOYSA-N 0 0 341.436 4.159 50 0 EIAARN Cc1nc(C)c(C(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)o1 ZINC000095976886 564143623 /nfs/dbraw/zinc/14/36/23/564143623.db2.gz IGLPLRJDJOVHRN-FQEVSTJZSA-N 0 0 346.430 4.274 50 0 EIAARN CC(C)C(=O)Nc1ccc(N[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000095990524 564144146 /nfs/dbraw/zinc/14/41/46/564144146.db2.gz DMBIXYFZXSHCFJ-BSEYFRJRSA-N 0 0 344.480 4.192 50 0 EIAARN CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000095996512 564144228 /nfs/dbraw/zinc/14/42/28/564144228.db2.gz HDQJQWKFHNGHRA-JCGIZDLHSA-N 0 0 348.487 4.125 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC2(C1)CCCCC2 ZINC000096003920 564144490 /nfs/dbraw/zinc/14/44/90/564144490.db2.gz YGIUAPIWZPYFTJ-HZPDHXFCSA-N 0 0 348.284 4.345 50 0 EIAARN COc1ccc(Oc2ccc(CNc3c(C)nn(C)c3C)cc2)cc1 ZINC000096010135 564144659 /nfs/dbraw/zinc/14/46/59/564144659.db2.gz PHJZMFVYANQIOC-UHFFFAOYSA-N 0 0 337.423 4.450 50 0 EIAARN Cc1ccccc1NC(=O)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096024847 564144890 /nfs/dbraw/zinc/14/48/90/564144890.db2.gz WWSURGMTFGMDQT-UHFFFAOYSA-N 0 0 345.830 4.119 50 0 EIAARN COC1CCN(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CC1 ZINC000096104496 564145303 /nfs/dbraw/zinc/14/53/03/564145303.db2.gz IUTUKAZZJRSYEU-UHFFFAOYSA-N 0 0 349.434 4.035 50 0 EIAARN O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccccc1Cl ZINC000096104068 564145306 /nfs/dbraw/zinc/14/53/06/564145306.db2.gz DRVSDMONEHAYHQ-UHFFFAOYSA-N 0 0 343.858 4.459 50 0 EIAARN CC(=O)c1cccc(NC(=O)COc2cc(C(C)C)ccc2C)c1 ZINC000007968734 564145806 /nfs/dbraw/zinc/14/58/06/564145806.db2.gz YXCYPAVVXQTZFR-UHFFFAOYSA-N 0 0 325.408 4.339 50 0 EIAARN CC(C)[C@H](NC(=O)c1ccc2ccn(C)c2c1)c1nc2ccccc2[nH]1 ZINC000096231784 564146090 /nfs/dbraw/zinc/14/60/90/564146090.db2.gz LJWYWTKUEKESOE-IBGZPJMESA-N 0 0 346.434 4.182 50 0 EIAARN C/C=C/C=C\C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000096291749 564146428 /nfs/dbraw/zinc/14/64/28/564146428.db2.gz FSIAJGMKBFIDHB-DEQVHDEQSA-N 0 0 331.466 4.377 50 0 EIAARN CC[C@H](C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)CC(C)C ZINC000096293241 564146491 /nfs/dbraw/zinc/14/64/91/564146491.db2.gz IQILHHXSBBJPSF-AWEZNQCLSA-N 0 0 347.434 4.091 50 0 EIAARN O=C(NCc1cccc(Oc2ccccn2)c1)c1ccc(F)c(F)c1 ZINC000096382413 564146927 /nfs/dbraw/zinc/14/69/27/564146927.db2.gz FEKZRDIAMZVYSC-UHFFFAOYSA-N 0 0 340.329 4.082 50 0 EIAARN CO[C@@H](CNC(=O)c1cc2ccccc2s1)c1ccc(C)s1 ZINC000096385913 564146954 /nfs/dbraw/zinc/14/69/54/564146954.db2.gz VCWYPKJYZMACRG-ZDUSSCGKSA-N 0 0 331.462 4.389 50 0 EIAARN CO[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccccc1C ZINC000096389115 564146981 /nfs/dbraw/zinc/14/69/81/564146981.db2.gz RPWOHKRPIWHCMO-MRXNPFEDSA-N 0 0 337.341 4.131 50 0 EIAARN CCn1c2ccccc2c2cc(/C=C\C(=O)Nc3ccn(C)n3)ccc21 ZINC000096401366 564147078 /nfs/dbraw/zinc/14/70/78/564147078.db2.gz GLUPMBBIVJLQAD-LUAWRHEFSA-N 0 0 344.418 4.200 50 0 EIAARN CN(Cc1ccccn1)C(=O)/C=C\c1ccc(-c2ccccc2)s1 ZINC000096401819 564147116 /nfs/dbraw/zinc/14/71/16/564147116.db2.gz FNCHAMHOVJOLQS-QBFSEMIESA-N 0 0 334.444 4.482 50 0 EIAARN C[C@H](SCC(=O)NC1CCOCC1)c1ccc(Cl)cc1Cl ZINC000096403752 564147206 /nfs/dbraw/zinc/14/72/06/564147206.db2.gz SIAPBHGOVDZSLM-JTQLQIEISA-N 0 0 348.295 4.083 50 0 EIAARN O=[S@](Cc1csc(Br)c1)Cc1ccc(F)cc1 ZINC000096404290 564147235 /nfs/dbraw/zinc/14/72/35/564147235.db2.gz XLDKFKMCYULJTD-QGZVFWFLSA-N 0 0 333.247 4.099 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000096405404 564147312 /nfs/dbraw/zinc/14/73/12/564147312.db2.gz DOMMBJTYHAWKDR-RTBURBONSA-N 0 0 346.430 4.194 50 0 EIAARN Cc1csc(C(C)(C)NC(=O)Nc2cccc(OC(F)F)c2)n1 ZINC000096407945 564147425 /nfs/dbraw/zinc/14/74/25/564147425.db2.gz QCFXSQAWBCNXQW-UHFFFAOYSA-N 0 0 341.383 4.110 50 0 EIAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)cc1 ZINC000096410509 564147612 /nfs/dbraw/zinc/14/76/12/564147612.db2.gz VIUZQIWNPREVRW-UHFFFAOYSA-N 0 0 337.423 4.252 50 0 EIAARN CC[C@@H](c1ccncc1)N(C)C(=O)Nc1nn(-c2ccccc2)cc1C ZINC000096415941 564147744 /nfs/dbraw/zinc/14/77/44/564147744.db2.gz LAXWFANLIYMFOL-SFHVURJKSA-N 0 0 349.438 4.191 50 0 EIAARN Cc1cccnc1CNC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000096418114 564147896 /nfs/dbraw/zinc/14/78/96/564147896.db2.gz VCHUZIQCBONIHZ-UHFFFAOYSA-N 0 0 339.439 4.171 50 0 EIAARN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ncc(-c2ccccc2)o1 ZINC000096436862 564148067 /nfs/dbraw/zinc/14/80/67/564148067.db2.gz RLXQHQGOMFYDOK-OLZOCXBDSA-N 0 0 349.390 4.234 50 0 EIAARN Cc1csc([C@H](NC(=O)N[C@H](C)c2ccc(F)cc2)C2CC2)n1 ZINC000096437458 564148096 /nfs/dbraw/zinc/14/80/96/564148096.db2.gz XLEKPBZVRZXBJJ-IAQYHMDHSA-N 0 0 333.432 4.102 50 0 EIAARN CC(=O)Nc1cc(F)c(F)cc1NCc1ncc(-c2cccs2)o1 ZINC000096444402 564148158 /nfs/dbraw/zinc/14/81/58/564148158.db2.gz WXZSGLAIWXCVTI-UHFFFAOYSA-N 0 0 349.362 4.252 50 0 EIAARN Cc1ccccc1Cc1nnc(CSc2nncc3ccccc32)o1 ZINC000096471953 564148350 /nfs/dbraw/zinc/14/83/50/564148350.db2.gz TYPJZGKRFBHVFX-UHFFFAOYSA-N 0 0 348.431 4.204 50 0 EIAARN COc1ccccc1[C@@H](C)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000096479186 564148585 /nfs/dbraw/zinc/14/85/85/564148585.db2.gz FFFKGHPLURJLJJ-HUUCEWRRSA-N 0 0 337.423 4.081 50 0 EIAARN Cc1cc(CNc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(C)o1 ZINC000096489071 564148662 /nfs/dbraw/zinc/14/86/62/564148662.db2.gz QRNZLITZIHWJML-UHFFFAOYSA-N 0 0 335.469 4.222 50 0 EIAARN Clc1ccc(-c2nnc3c4ccccc4nc(N4CCCC4)n23)cc1 ZINC000096490509 564148706 /nfs/dbraw/zinc/14/87/06/564148706.db2.gz XIROIQMKZJUJLM-UHFFFAOYSA-N 0 0 349.825 4.198 50 0 EIAARN COc1cccc(Nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccn2)c1 ZINC000096671416 564148934 /nfs/dbraw/zinc/14/89/34/564148934.db2.gz POHMKUVXNPWVNJ-HNNXBMFYSA-N 0 0 347.418 4.325 50 0 EIAARN O=C1OC(c2ccccc2)=N/C1=C/C1=Cc2cc(Cl)ccc2OC1 ZINC000096935608 564149024 /nfs/dbraw/zinc/14/90/24/564149024.db2.gz QDVRLGWODLQKIR-CXUHLZMHSA-N 0 0 337.762 4.003 50 0 EIAARN O=C(NC[C@@H]1C[C@@]12CCCc1ccccc12)C1CCC(F)(F)CC1 ZINC000097022206 564149148 /nfs/dbraw/zinc/14/91/48/564149148.db2.gz OWOOHEOKQAUBIW-LPHOPBHVSA-N 0 0 333.422 4.222 50 0 EIAARN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000097022860 564149173 /nfs/dbraw/zinc/14/91/73/564149173.db2.gz LLPUDYGWRZJCLD-PXAZEXFGSA-N 0 0 329.419 4.023 50 0 EIAARN C[S@@](=O)Cc1cc(NCc2ccc(F)cc2F)ccc1Cl ZINC000097084916 564149371 /nfs/dbraw/zinc/14/93/71/564149371.db2.gz KAYAMLIKWIBDFP-NRFANRHFSA-N 0 0 329.799 4.109 50 0 EIAARN Cc1cc(OCc2ccc(C(=O)NC3CCCC3)o2)ccc1Cl ZINC000027935731 564149685 /nfs/dbraw/zinc/14/96/85/564149685.db2.gz OWUZGKLMUPARJB-UHFFFAOYSA-N 0 0 333.815 4.493 50 0 EIAARN COc1ccc(OCCSc2nc(C)nc3ccccc32)cc1 ZINC000002503572 564150053 /nfs/dbraw/zinc/15/00/53/564150053.db2.gz RPGZZXUOBIAJNE-UHFFFAOYSA-N 0 0 326.421 4.118 50 0 EIAARN Cc1ccccc1C(=O)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000225705099 564150361 /nfs/dbraw/zinc/15/03/61/564150361.db2.gz ZCTJHAAYBRMHKC-UHFFFAOYSA-N 0 0 346.430 4.227 50 0 EIAARN O=C(c1ccc(COc2ccc(F)cc2F)o1)N1CCCCCC1 ZINC000028227606 564150742 /nfs/dbraw/zinc/15/07/42/564150742.db2.gz OYECRQSHLKVPOI-UHFFFAOYSA-N 0 0 335.350 4.153 50 0 EIAARN C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(-n2cccc2)cc1 ZINC000028304022 564150938 /nfs/dbraw/zinc/15/09/38/564150938.db2.gz YZYSCYYDDXDCTP-MRXNPFEDSA-N 0 0 333.435 4.034 50 0 EIAARN COc1ccc(CSc2nnc(C)n2Cc2ccccc2)cc1F ZINC000002625826 564151331 /nfs/dbraw/zinc/15/13/31/564151331.db2.gz ICKOOYHNVAXBTR-UHFFFAOYSA-N 0 0 343.427 4.075 50 0 EIAARN O=c1nc(CN2CCCCCC2)[nH]c2scc(-c3ccccc3)c21 ZINC000002626973 564151366 /nfs/dbraw/zinc/15/13/66/564151366.db2.gz BETRGHBGZDTXSD-UHFFFAOYSA-N 0 0 339.464 4.028 50 0 EIAARN C[C@H](OC(=O)c1ccccc1O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002635806 564151559 /nfs/dbraw/zinc/15/15/59/564151559.db2.gz KQUMGWHTLBXILB-ZDUSSCGKSA-N 0 0 326.392 4.118 50 0 EIAARN COc1cc(C)c(NC(=O)CCSc2ccc(C)cc2)cc1OC ZINC000002640568 564151699 /nfs/dbraw/zinc/15/16/99/564151699.db2.gz YPGFRUVHRULVGZ-UHFFFAOYSA-N 0 0 345.464 4.442 50 0 EIAARN Cc1ccc(OCCSc2nnc3sc4ccccc4n23)cc1 ZINC000002644198 564151765 /nfs/dbraw/zinc/15/17/65/564151765.db2.gz UMYXBHORUXVGKD-UHFFFAOYSA-N 0 0 341.461 4.424 50 0 EIAARN Cc1cc(C)c(C(=O)CSc2ccc3c(c2)OCCO3)c(C)c1 ZINC000002659273 564152031 /nfs/dbraw/zinc/15/20/31/564152031.db2.gz VKEYBHKJVDSING-UHFFFAOYSA-N 0 0 328.433 4.358 50 0 EIAARN CCOc1ccc(C(=O)NCCSc2c[nH]c3ccccc23)cc1 ZINC000002721019 564152250 /nfs/dbraw/zinc/15/22/50/564152250.db2.gz VPFFEKJQOGKVFM-UHFFFAOYSA-N 0 0 340.448 4.089 50 0 EIAARN CCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccs1 ZINC000002721321 564152262 /nfs/dbraw/zinc/15/22/62/564152262.db2.gz LEMWNGVWPPJAJP-CYBMUJFWSA-N 0 0 327.453 4.389 50 0 EIAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1 ZINC000028733554 564152330 /nfs/dbraw/zinc/15/23/30/564152330.db2.gz JDJKSVHTDMVLBN-UHFFFAOYSA-N 0 0 348.246 4.049 50 0 EIAARN O=C(C[C@H]1CCCO1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000057084639 564153247 /nfs/dbraw/zinc/15/32/47/564153247.db2.gz CHXQQUMSOCLKAS-WBVHZDCISA-N 0 0 335.856 4.176 50 0 EIAARN CC(C)CCSCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000057155782 564153311 /nfs/dbraw/zinc/15/33/11/564153311.db2.gz KHYUIFPIXUGSQV-UHFFFAOYSA-N 0 0 335.498 4.253 50 0 EIAARN Cc1ccc(CNC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000057413842 564154198 /nfs/dbraw/zinc/15/41/98/564154198.db2.gz VFJUCLBFRIFYPF-UHFFFAOYSA-N 0 0 341.414 4.468 50 0 EIAARN FC(F)(F)Cn1ccnc1CSc1nc(-c2ccccc2)c[nH]1 ZINC000057747738 564155593 /nfs/dbraw/zinc/15/55/93/564155593.db2.gz NEPFCMNZANDXEH-UHFFFAOYSA-N 0 0 338.358 4.128 50 0 EIAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1(F)F ZINC000003175472 564155692 /nfs/dbraw/zinc/15/56/92/564155692.db2.gz JURZRMDEBPKTAC-CYBMUJFWSA-N 0 0 327.252 4.429 50 0 EIAARN C[C@H](N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl ZINC000057816050 564155924 /nfs/dbraw/zinc/15/59/24/564155924.db2.gz JRBMEBKRDFUZIT-HNAYVOBHSA-N 0 0 342.870 4.354 50 0 EIAARN COc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1O ZINC000003262679 564156743 /nfs/dbraw/zinc/15/67/43/564156743.db2.gz HDLVQBACBKNXGE-UHFFFAOYSA-N 0 0 327.163 4.065 50 0 EIAARN CC(C)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000003267270 564156794 /nfs/dbraw/zinc/15/67/94/564156794.db2.gz LBAGRVFJVGOCRG-UHFFFAOYSA-N 0 0 346.402 4.412 50 0 EIAARN C[C@@H]1CCCN([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000058012617 564157212 /nfs/dbraw/zinc/15/72/12/564157212.db2.gz SACHTOPZGFUHHW-KDOFPFPSSA-N 0 0 334.891 4.172 50 0 EIAARN Cc1ccc2[nH]c([C@@H](NC(=O)c3cccn3C3CC3)C(C)C)nc2c1 ZINC000670437125 564157222 /nfs/dbraw/zinc/15/72/22/564157222.db2.gz HJPCOFSTEAWXJX-SFHVURJKSA-N 0 0 336.439 4.135 50 0 EIAARN Brc1ccc(N2CCCC2)c(NCc2nccs2)c1 ZINC000163194889 564157230 /nfs/dbraw/zinc/15/72/30/564157230.db2.gz MYUTZRGBXMLAIS-UHFFFAOYSA-N 0 0 338.274 4.118 50 0 EIAARN CCOc1cccc(C=O)c1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000003324350 564157324 /nfs/dbraw/zinc/15/73/24/564157324.db2.gz GEZKVJSORXWADT-UHFFFAOYSA-N 0 0 341.407 4.039 50 0 EIAARN CCOc1ccc([C@@H](CC)NC(=O)c2ccccc2-c2ncc[nH]2)cc1 ZINC000670438242 564157491 /nfs/dbraw/zinc/15/74/91/564157491.db2.gz LWKKUWGNJMHIPI-LJQANCHMSA-N 0 0 349.434 4.357 50 0 EIAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(C)cc1)CO3 ZINC000058088564 564157507 /nfs/dbraw/zinc/15/75/07/564157507.db2.gz BMOSQOCDSITEOJ-UHFFFAOYSA-N 0 0 349.430 4.324 50 0 biogenic EIAARN CC(C)(C)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003350621 564157583 /nfs/dbraw/zinc/15/75/83/564157583.db2.gz UOQWMTPHSCJKOS-UHFFFAOYSA-N 0 0 337.375 4.267 50 0 EIAARN Cc1ccccc1OCCC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000030886087 564158060 /nfs/dbraw/zinc/15/80/60/564158060.db2.gz XXXSXZXVQROGPK-UHFFFAOYSA-N 0 0 339.313 4.301 50 0 EIAARN COc1ccc(Cl)cc1C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000003497783 564158479 /nfs/dbraw/zinc/15/84/79/564158479.db2.gz HHJCJUVRPMCVGK-LBPRGKRZSA-N 0 0 332.783 4.085 50 0 EIAARN CCOc1ccccc1-n1nnnc1SCc1ccc(Cl)cc1 ZINC000003496970 564158485 /nfs/dbraw/zinc/15/84/85/564158485.db2.gz ICUTURIJDYAIJD-UHFFFAOYSA-N 0 0 346.843 4.007 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1 ZINC000003515723 564158649 /nfs/dbraw/zinc/15/86/49/564158649.db2.gz RMLGJHHJFORVMO-ZDUSSCGKSA-N 0 0 329.371 4.135 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003517691 564158662 /nfs/dbraw/zinc/15/86/62/564158662.db2.gz MYPNHHTYCCMZHX-UHFFFAOYSA-N 0 0 349.789 4.479 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2ccccc2)on1 ZINC000031336719 564159333 /nfs/dbraw/zinc/15/93/33/564159333.db2.gz SGUHVMPBJQZKMU-UHFFFAOYSA-N 0 0 344.773 4.406 50 0 EIAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(F)ccc1F ZINC000031455170 564159413 /nfs/dbraw/zinc/15/94/13/564159413.db2.gz PZIRTORRXSRTCY-UHFFFAOYSA-N 0 0 340.329 4.191 50 0 EIAARN O=C(CSc1cccs1)NCc1ccc(C(F)(F)F)cc1 ZINC000031546185 564159512 /nfs/dbraw/zinc/15/95/12/564159512.db2.gz VYKCXBQDSYYIKO-UHFFFAOYSA-N 0 0 331.384 4.175 50 0 EIAARN Cn1c(SCc2cc(F)cc3cccnc32)nnc1-c1ccco1 ZINC000031611912 564159561 /nfs/dbraw/zinc/15/95/61/564159561.db2.gz SNWYNRDEWSLXJJ-UHFFFAOYSA-N 0 0 340.383 4.055 50 0 EIAARN O[C@H](c1nccn1Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000133689462 564159689 /nfs/dbraw/zinc/15/96/89/564159689.db2.gz DUPHJYGXSGCAOA-INIZCTEOSA-N 0 0 332.325 4.032 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3n[nH]cc32)cc1OCc1ccccc1 ZINC000031808310 564159921 /nfs/dbraw/zinc/15/99/21/564159921.db2.gz DMUOWKMTYHKRBZ-OAHLLOKOSA-N 0 0 349.390 4.121 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)N3CCCc4ccccc43)cs2)o1 ZINC000031871957 564160127 /nfs/dbraw/zinc/16/01/27/564160127.db2.gz WUEPGCVBIXFTJO-UHFFFAOYSA-N 0 0 338.432 4.233 50 0 EIAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(OCc2cccnc2)cc1 ZINC000032063894 564160568 /nfs/dbraw/zinc/16/05/68/564160568.db2.gz HJILTUMOKWJVOB-UHFFFAOYSA-N 0 0 344.414 4.402 50 0 EIAARN O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccccc1F ZINC000032095722 564160724 /nfs/dbraw/zinc/16/07/24/564160724.db2.gz RHEBDEZHWXCIFQ-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN COc1ccccc1CSc1nnc(C)n1-c1ccccc1C ZINC000004186486 564161089 /nfs/dbraw/zinc/16/10/89/564161089.db2.gz ARORGBPCBUVCMS-UHFFFAOYSA-N 0 0 325.437 4.185 50 0 EIAARN CCCC[C@H](CC)N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000059377759 564161166 /nfs/dbraw/zinc/16/11/66/564161166.db2.gz FBZPJUVAFSWZLB-AVRDEDQJSA-N 0 0 337.463 4.499 50 0 EIAARN Cc1cccc(-c2nc(CSc3ncnc4ccsc43)no2)c1 ZINC000032330441 564161245 /nfs/dbraw/zinc/16/12/45/564161245.db2.gz FYJMHFOJKNDUQP-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN O=C(Cc1noc2ccccc12)N[C@H](c1cccs1)C1CCCC1 ZINC000032397047 564161309 /nfs/dbraw/zinc/16/13/09/564161309.db2.gz JLHKPNIXNCGTEI-IBGZPJMESA-N 0 0 340.448 4.480 50 0 EIAARN O=C(N[C@@H](c1cccs1)C1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000032397096 564161342 /nfs/dbraw/zinc/16/13/42/564161342.db2.gz PRIQLJHURKCEMY-FUHWJXTLSA-N 0 0 327.449 4.099 50 0 EIAARN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000263436076 564161696 /nfs/dbraw/zinc/16/16/96/564161696.db2.gz USGPVQHBMDFEOE-SFHVURJKSA-N 0 0 329.371 4.057 50 0 EIAARN O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nccs2)cc1 ZINC000007985142 564161773 /nfs/dbraw/zinc/16/17/73/564161773.db2.gz YKVFFZSVZLXEPK-UHFFFAOYSA-N 0 0 334.444 4.480 50 0 EIAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2cccn2)cc1 ZINC000007988375 564161916 /nfs/dbraw/zinc/16/19/16/564161916.db2.gz BOOQQZIJWRLSQO-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 EIAARN O=C(Nc1nc2ccc(F)cc2s1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000007989328 564161964 /nfs/dbraw/zinc/16/19/64/564161964.db2.gz HDTJIAVVRNFQAF-VXGBXAGGSA-N 0 0 333.432 4.479 50 0 EIAARN O=C(Cc1ccsc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000008013766 564162156 /nfs/dbraw/zinc/16/21/56/564162156.db2.gz VVMQPWFSIGUDKG-UHFFFAOYSA-N 0 0 333.416 4.473 50 0 EIAARN COc1ccccc1OCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000008072907 564162542 /nfs/dbraw/zinc/16/25/42/564162542.db2.gz NATUYAJFWGMUAS-OAHLLOKOSA-N 0 0 335.403 4.105 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccccc1 ZINC000008131065 564162999 /nfs/dbraw/zinc/16/29/99/564162999.db2.gz DEKBJJDCJPHBHT-LLVKDONJSA-N 0 0 328.368 4.239 50 0 EIAARN COc1ccc(CN(C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000008130937 564163003 /nfs/dbraw/zinc/16/30/03/564163003.db2.gz OZJPWKIZVIVSQY-KRWDZBQOSA-N 0 0 340.467 4.079 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000008140450 564163142 /nfs/dbraw/zinc/16/31/42/564163142.db2.gz KEYPRTYZRQCJRE-CJNGLKHVSA-N 0 0 332.444 4.342 50 0 EIAARN O=c1oc2cc(Cl)ccc2n1CN(Cc1ccc(F)cc1)C1CC1 ZINC000008151516 564163203 /nfs/dbraw/zinc/16/32/03/564163203.db2.gz MOMQOSJTEQUEAN-UHFFFAOYSA-N 0 0 346.789 4.009 50 0 EIAARN Fc1ccccc1-c1nnc(SCc2nc3ccccc3o2)o1 ZINC000008186985 564163420 /nfs/dbraw/zinc/16/34/20/564163420.db2.gz WGIZIGUOQYKCRA-UHFFFAOYSA-N 0 0 327.340 4.309 50 0 EIAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1cnc2ccccc2n1 ZINC000008231377 564163731 /nfs/dbraw/zinc/16/37/31/564163731.db2.gz LKBDLDHGCSBHRC-UHFFFAOYSA-N 0 0 346.434 4.263 50 0 EIAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(F)cc1Cl ZINC000008320425 564164282 /nfs/dbraw/zinc/16/42/82/564164282.db2.gz WMWMZPBZIDEEOJ-AWEZNQCLSA-N 0 0 338.835 4.316 50 0 EIAARN CCC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008388797 564164889 /nfs/dbraw/zinc/16/48/89/564164889.db2.gz GDLKWVKBBBGYKC-OAHLLOKOSA-N 0 0 327.424 4.193 50 0 EIAARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 ZINC000008393932 564165038 /nfs/dbraw/zinc/16/50/38/564165038.db2.gz MNBPOTVFAVINMB-UHFFFAOYSA-N 0 0 331.730 4.491 50 0 EIAARN O=C(COc1ccc(Cl)c2cccnc12)NCCC1=CCCCC1 ZINC000008394359 564165079 /nfs/dbraw/zinc/16/50/79/564165079.db2.gz IGOJEZARVCNUQX-UHFFFAOYSA-N 0 0 344.842 4.274 50 0 EIAARN COc1cccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000008403398 564165145 /nfs/dbraw/zinc/16/51/45/564165145.db2.gz SBZDEJDMKQSREY-UHFFFAOYSA-N 0 0 331.415 4.221 50 0 EIAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@@H]1c1cccs1 ZINC000008428289 564165230 /nfs/dbraw/zinc/16/52/30/564165230.db2.gz KNOLGUAFXBNILG-CYBMUJFWSA-N 0 0 349.839 4.150 50 0 EIAARN COc1ccc(-c2nnc([C@@H](C)Sc3nc(C)cs3)o2)cc1 ZINC000008505560 564165504 /nfs/dbraw/zinc/16/55/04/564165504.db2.gz IEUMGMZQHBSYIT-SNVBAGLBSA-N 0 0 333.438 4.363 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008586601 564165875 /nfs/dbraw/zinc/16/58/75/564165875.db2.gz AQTOKFFKMAXFDC-UHFFFAOYSA-N 0 0 340.423 4.455 50 0 EIAARN COc1ccc(OC)c([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1 ZINC000008590471 564165914 /nfs/dbraw/zinc/16/59/14/564165914.db2.gz DIAZZOAUHKEUIQ-NRFANRHFSA-N 0 0 349.434 4.465 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1cc2ccc3cccnc3c2[nH]1 ZINC000008596062 564165947 /nfs/dbraw/zinc/16/59/47/564165947.db2.gz OITCWNJYFPGGJS-UHFFFAOYSA-N 0 0 335.794 4.300 50 0 EIAARN Cc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000008605217 564166012 /nfs/dbraw/zinc/16/60/12/564166012.db2.gz XXEZPAHGICEUQJ-LBPRGKRZSA-N 0 0 325.334 4.109 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000008706021 564166487 /nfs/dbraw/zinc/16/64/87/564166487.db2.gz CDULGUUSBZHAHC-UHFFFAOYSA-N 0 0 334.828 4.311 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(C(C)C)cs1 ZINC000008709065 564166563 /nfs/dbraw/zinc/16/65/63/564166563.db2.gz PQFBLVSDCJLNLR-UHFFFAOYSA-N 0 0 327.409 4.482 50 0 EIAARN O=C(CCSc1ccc(C(F)(F)F)cn1)Nc1ccccc1 ZINC000008710982 564166626 /nfs/dbraw/zinc/16/66/26/564166626.db2.gz TZLFTRSUDKIEMZ-UHFFFAOYSA-N 0 0 326.343 4.221 50 0 EIAARN C[C@@H]1Sc2ccc(C(=O)OCc3ccccc3Cl)cc2NC1=O ZINC000008716466 564166668 /nfs/dbraw/zinc/16/66/68/564166668.db2.gz CUNIWPLMBQKIQP-JTQLQIEISA-N 0 0 347.823 4.130 50 0 EIAARN C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000008720401 564166912 /nfs/dbraw/zinc/16/69/12/564166912.db2.gz JZNWZDBBWJUQAF-SNVBAGLBSA-N 0 0 337.192 4.027 50 0 EIAARN CO[C@@H](CNC(=O)c1ccccc1Cl)c1cc2ccccc2o1 ZINC000244998687 564168598 /nfs/dbraw/zinc/16/85/98/564168598.db2.gz KPPDXYBMJBNBEN-KRWDZBQOSA-N 0 0 329.783 4.204 50 0 EIAARN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(-c2cccnc2)cc1 ZINC000245338837 564169103 /nfs/dbraw/zinc/16/91/03/564169103.db2.gz OVGURIZOSNHUCM-GDIGMMSISA-N 0 0 332.403 4.323 50 0 EIAARN O=C(Nc1ccc[nH]c1=O)c1cc2sc3ccccc3c2s1 ZINC000069416179 564169229 /nfs/dbraw/zinc/16/92/29/564169229.db2.gz YVHQSVJFMLNOBS-UHFFFAOYSA-N 0 0 326.402 4.057 50 0 EIAARN Cc1ccsc1CN(C)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000069417664 564169309 /nfs/dbraw/zinc/16/93/09/564169309.db2.gz CWZQQNGLKHNUOW-UHFFFAOYSA-N 0 0 340.452 4.121 50 0 EIAARN Cc1cc(C)cc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)c1 ZINC000069442530 564169540 /nfs/dbraw/zinc/16/95/40/564169540.db2.gz APCWXETZSVLKAO-UHFFFAOYSA-N 0 0 346.434 4.328 50 0 EIAARN CCC1CCC(N(C)C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC1 ZINC000069451374 564169582 /nfs/dbraw/zinc/16/95/82/564169582.db2.gz VJDJJMWDJFSNTN-UHFFFAOYSA-N 0 0 335.423 4.217 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000069458243 564169671 /nfs/dbraw/zinc/16/96/71/564169671.db2.gz QCSWMPWGZFMUGB-VIFPVBQESA-N 0 0 341.238 4.360 50 0 EIAARN CCC[C@H]1CCCN(C(=O)Nc2cccc(CN(C)C(C)=O)c2)CC1 ZINC000069491574 564169916 /nfs/dbraw/zinc/16/99/16/564169916.db2.gz KYKZZMSLMMVECY-KRWDZBQOSA-N 0 0 345.487 4.099 50 0 EIAARN Cc1nn(-c2ccccc2)cc1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000069520884 564170131 /nfs/dbraw/zinc/17/01/31/564170131.db2.gz ZILFJXGLBYHYKI-UHFFFAOYSA-N 0 0 344.374 4.088 50 0 EIAARN C[C@H](c1ccccn1)N(C(=O)c1cnc(-c2ccco2)s1)C1CC1 ZINC000069529072 564170201 /nfs/dbraw/zinc/17/02/01/564170201.db2.gz YBOQVCJSTHSCFN-GFCCVEGCSA-N 0 0 339.420 4.164 50 0 EIAARN O=c1sc2c(n1Cc1csc(C3CCCCC3)n1)CCCC2 ZINC000069529705 564170221 /nfs/dbraw/zinc/17/02/21/564170221.db2.gz BXJKBDCXDDVNDB-UHFFFAOYSA-N 0 0 334.510 4.341 50 0 EIAARN CC(C)c1ncc(Cl)c(C(=O)N(C)c2nc3ccccc3s2)n1 ZINC000069530468 564170223 /nfs/dbraw/zinc/17/02/23/564170223.db2.gz FPMQLOQADSJXAA-UHFFFAOYSA-N 0 0 346.843 4.140 50 0 EIAARN O=[S@](C/C=C/c1ccccc1)Cc1coc(-c2cccs2)n1 ZINC000069530741 564170257 /nfs/dbraw/zinc/17/02/57/564170257.db2.gz ZQNYXRHXXHNGHT-PABBZOGXSA-N 0 0 329.446 4.365 50 0 EIAARN Cn1cnc(-c2ccc(F)cc2)c1NC(=O)c1nccc2ccccc21 ZINC000069533252 564170285 /nfs/dbraw/zinc/17/02/85/564170285.db2.gz MANKFJFFLDREAP-UHFFFAOYSA-N 0 0 346.365 4.027 50 0 EIAARN COc1cccc2cc([C@@H](C)NC(=O)N[C@@H](C)c3nccs3)oc21 ZINC000069566280 564170535 /nfs/dbraw/zinc/17/05/35/564170535.db2.gz YFWIKZKAOQHTQT-MNOVXSKESA-N 0 0 345.424 4.019 50 0 EIAARN Cc1nc(C=CC(=O)Nc2n[nH]cc2-c2cccc(Cl)c2)cs1 ZINC000069567266 564170540 /nfs/dbraw/zinc/17/05/40/564170540.db2.gz ZNNFUCKEMRRMIW-AATRIKPKSA-N 0 0 344.827 4.147 50 0 EIAARN Cc1nnc([C@H](C)Sc2nnc(-c3c(C)cc(C)cc3C)o2)o1 ZINC000069581372 564170639 /nfs/dbraw/zinc/17/06/39/564170639.db2.gz GBGGQLPPTICPEI-NSHDSACASA-N 0 0 330.413 4.207 50 0 EIAARN Cc1nc([C@H](C)NC(=O)CCCc2nc3ccccc3s2)cs1 ZINC000069591705 564170779 /nfs/dbraw/zinc/17/07/79/564170779.db2.gz CAECRCVGTHYBDA-NSHDSACASA-N 0 0 345.493 4.261 50 0 EIAARN CN(C(=O)[C@@H]1Cc2ccccc2O1)C(c1ccccc1)c1ccccc1 ZINC000069599697 564170855 /nfs/dbraw/zinc/17/08/55/564170855.db2.gz YKLSFGRYQNCABE-NRFANRHFSA-N 0 0 343.426 4.238 50 0 EIAARN CCc1noc(CN(C)C(=O)Nc2ccccc2-c2cccs2)n1 ZINC000069622754 564170981 /nfs/dbraw/zinc/17/09/81/564170981.db2.gz APXKSUSFGFUWRA-UHFFFAOYSA-N 0 0 342.424 4.024 50 0 EIAARN Cc1ccc(-n2nnnc2SCc2ccc(Cl)s2)cc1C ZINC000069640227 564171126 /nfs/dbraw/zinc/17/11/26/564171126.db2.gz UGSFDVCURBXOPL-UHFFFAOYSA-N 0 0 336.873 4.286 50 0 EIAARN Cc1noc([C@@H](C)NC(=O)Nc2ccccc2SC2CCCC2)n1 ZINC000069631490 564171130 /nfs/dbraw/zinc/17/11/30/564171130.db2.gz AENBVWRILAKRNH-LLVKDONJSA-N 0 0 346.456 4.295 50 0 EIAARN Cc1noc(C(C)C)c1C(=O)Nc1cc(-c2c(F)cccc2F)n[nH]1 ZINC000069655437 564171168 /nfs/dbraw/zinc/17/11/68/564171168.db2.gz QBLCXZTYKNSWLH-UHFFFAOYSA-N 0 0 346.337 4.027 50 0 EIAARN CC(C)c1noc([C@H](C)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000069659877 564171291 /nfs/dbraw/zinc/17/12/91/564171291.db2.gz PAPZDTQULAEQII-ZDUSSCGKSA-N 0 0 339.443 4.010 50 0 EIAARN COCc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000069743916 564171923 /nfs/dbraw/zinc/17/19/23/564171923.db2.gz BJUUVNMAYOPGNK-FQEVSTJZSA-N 0 0 347.418 4.139 50 0 EIAARN Cc1cc(CN(C)C(=O)Nc2c(Cl)cc(C)c3ncccc32)no1 ZINC000069775620 564172119 /nfs/dbraw/zinc/17/21/19/564172119.db2.gz WPTUIFKWVYNMHD-UHFFFAOYSA-N 0 0 344.802 4.157 50 0 EIAARN CC(C)(C)c1nc(CC(=O)NC2CCC(C(F)(F)F)CC2)cs1 ZINC000069777023 564172180 /nfs/dbraw/zinc/17/21/80/564172180.db2.gz DZPHKVHVGIRCBP-UHFFFAOYSA-N 0 0 348.434 4.220 50 0 EIAARN COc1cccc(C[S@](=O)Cc2csc(C3CCCC3)n2)c1 ZINC000069809249 564172235 /nfs/dbraw/zinc/17/22/35/564172235.db2.gz HBIARMJUBXAESH-JOCHJYFZSA-N 0 0 335.494 4.258 50 0 EIAARN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCCc2ncccc21 ZINC000069812126 564172278 /nfs/dbraw/zinc/17/22/78/564172278.db2.gz BPEXBMPHSZEKKH-AWEZNQCLSA-N 0 0 334.341 4.097 50 0 EIAARN CC(=O)N(c1nc(CN(Cc2ccccc2)C(C)C)cs1)C1CC1 ZINC000069975309 564173031 /nfs/dbraw/zinc/17/30/31/564173031.db2.gz XTURLFLTRHKDJN-UHFFFAOYSA-N 0 0 343.496 4.069 50 0 EIAARN CC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1C ZINC000041096712 564173162 /nfs/dbraw/zinc/17/31/62/564173162.db2.gz PPTNGWMGJHOFAS-NSHDSACASA-N 0 0 336.284 4.255 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1C ZINC000041095350 564173164 /nfs/dbraw/zinc/17/31/64/564173164.db2.gz BBJDCDTVEBBBTM-WMLDXEAASA-N 0 0 339.501 4.031 50 0 EIAARN O=C(Nc1ccc(N2CCOC2=O)cc1)c1occc1-c1ccccc1 ZINC000070039004 564173468 /nfs/dbraw/zinc/17/34/68/564173468.db2.gz HLVXONTVNGEMLW-UHFFFAOYSA-N 0 0 348.358 4.156 50 0 EIAARN c1csc(-c2noc(CCCc3nc(-c4cccs4)no3)n2)c1 ZINC000041155396 564173540 /nfs/dbraw/zinc/17/35/40/564173540.db2.gz UVXVAYWJSPRHOU-UHFFFAOYSA-N 0 0 344.421 4.085 50 0 EIAARN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCSCC1 ZINC000174158025 564173975 /nfs/dbraw/zinc/17/39/75/564173975.db2.gz IUCJOPWLXSHNIW-UHFFFAOYSA-N 0 0 349.843 4.108 50 0 EIAARN COCCn1ccc2c1cccc2NC(=O)c1ccc2c(ccn2C)c1 ZINC000070666398 564174279 /nfs/dbraw/zinc/17/42/79/564174279.db2.gz AFLITSCRFPQBFI-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 biogenic EIAARN CN1C(=O)CCc2cc(NC(=O)c3cccc4ccccc43)ccc21 ZINC000009827735 564174666 /nfs/dbraw/zinc/17/46/66/564174666.db2.gz MUUWPTSQRDYXCB-UHFFFAOYSA-N 0 0 330.387 4.001 50 0 EIAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1 ZINC000071121568 564174682 /nfs/dbraw/zinc/17/46/82/564174682.db2.gz UDVWSVSASDATOI-UHFFFAOYSA-N 0 0 330.309 4.184 50 0 EIAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(-c2ccccc2)o1 ZINC000071279295 564174813 /nfs/dbraw/zinc/17/48/13/564174813.db2.gz QPMJPOXPGDBRAY-CYBMUJFWSA-N 0 0 337.379 4.141 50 0 EIAARN O=C1C/C(=C/c2c[nH]c3cc(Cl)ccc23)C(=O)N1C1CCCCC1 ZINC000071282286 564174888 /nfs/dbraw/zinc/17/48/88/564174888.db2.gz LWNLMDTXIOUKQH-WQLSENKSSA-N 0 0 342.826 4.296 50 0 EIAARN O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1cccc(F)c1 ZINC000071282195 564174898 /nfs/dbraw/zinc/17/48/98/564174898.db2.gz WEADRSOXAYVIHH-UHFFFAOYSA-N 0 0 332.338 4.016 50 0 EIAARN O=C(CCc1ccccc1)Nc1ccc2[nH]c(-c3cccnc3)nc2c1 ZINC000071282119 564174916 /nfs/dbraw/zinc/17/49/16/564174916.db2.gz CUAMRWUMULPAPO-UHFFFAOYSA-N 0 0 342.402 4.196 50 0 EIAARN O=C(NOCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000010319306 564175277 /nfs/dbraw/zinc/17/52/77/564175277.db2.gz JEXMOBFOIPMZLS-UHFFFAOYSA-N 0 0 344.823 4.325 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)NOCc1ccccc1 ZINC000010319300 564175278 /nfs/dbraw/zinc/17/52/78/564175278.db2.gz AKPWUQJICKRURG-UHFFFAOYSA-N 0 0 330.434 4.042 50 0 EIAARN O=C(CCCc1nc2ccccc2o1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000071828327 564175703 /nfs/dbraw/zinc/17/57/03/564175703.db2.gz BFUPXUYQWFEELJ-WBVHZDCISA-N 0 0 326.440 4.332 50 0 EIAARN C[C@H](c1nc(C2CC2)no1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000071841198 564175855 /nfs/dbraw/zinc/17/58/55/564175855.db2.gz APCTXLSRBMIFMU-CYBMUJFWSA-N 0 0 336.439 4.369 50 0 EIAARN O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H](C(F)(F)F)C1 ZINC000071851764 564176022 /nfs/dbraw/zinc/17/60/22/564176022.db2.gz UQBWLIWVQVUWST-LBPRGKRZSA-N 0 0 340.370 4.225 50 0 EIAARN CCc1nnc(CN([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000071855443 564176063 /nfs/dbraw/zinc/17/60/63/564176063.db2.gz YDWPNZVGOUUELO-NSHDSACASA-N 0 0 339.361 4.376 50 0 EIAARN Cc1c(NC(=O)N(C)Cc2ccncc2)cccc1OC1CCCC1 ZINC000071857118 564176101 /nfs/dbraw/zinc/17/61/01/564176101.db2.gz DRZDTKXSGUNSSC-UHFFFAOYSA-N 0 0 339.439 4.375 50 0 EIAARN CN(C(=O)c1sccc1OC(F)F)c1nc2ccccc2s1 ZINC000071857402 564176108 /nfs/dbraw/zinc/17/61/08/564176108.db2.gz ZAMWKROPKHRHGQ-UHFFFAOYSA-N 0 0 340.376 4.236 50 0 EIAARN Cc1cc(CC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)no1 ZINC000074251742 564176447 /nfs/dbraw/zinc/17/64/47/564176447.db2.gz CKZKVVPKXUNZPF-OAHLLOKOSA-N 0 0 335.407 4.337 50 0 EIAARN O=C(c1cc2ccccc2s1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000074099606 564176468 /nfs/dbraw/zinc/17/64/68/564176468.db2.gz KFISBESCTFUFEC-MRXNPFEDSA-N 0 0 338.432 4.122 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)NCC[C@H](O)c2cccs2)cc1 ZINC000077116059 564176609 /nfs/dbraw/zinc/17/66/09/564176609.db2.gz XLUGFHAGWJCYGJ-HNNXBMFYSA-N 0 0 332.469 4.291 50 0 EIAARN CSCc1cccc(NC(=O)N[C@H](CCCO)c2ccccc2)c1 ZINC000077705367 564176849 /nfs/dbraw/zinc/17/68/49/564176849.db2.gz XIONNEXRCWNWRC-GOSISDBHSA-N 0 0 344.480 4.185 50 0 EIAARN CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]32)C1 ZINC000039944340 564177669 /nfs/dbraw/zinc/17/76/69/564177669.db2.gz NCMZQTLCXHGLOK-HRFMKDBOSA-N 0 0 330.468 4.450 50 0 EIAARN Cc1onc(-c2cccnc2)c1-c1nc(-c2ccc(C)c(F)c2)no1 ZINC000375628688 564177673 /nfs/dbraw/zinc/17/76/73/564177673.db2.gz DCTNNRLPMPYRGU-UHFFFAOYSA-N 0 0 336.326 4.210 50 0 EIAARN CCC(CC)C(=O)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135211 568421083 /nfs/dbraw/zinc/42/10/83/568421083.db2.gz LSLLYPCTZBQJHJ-GOSISDBHSA-N 0 0 337.467 4.286 50 0 EIAARN CC(C)(C)CC(=O)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135235 568421088 /nfs/dbraw/zinc/42/10/88/568421088.db2.gz YZORAKNCWYVBOV-QGZVFWFLSA-N 0 0 337.467 4.286 50 0 EIAARN O=C1[C@@H]2CCCN2[C@@H](c2ccco2)N1c1ccc(Cl)c(Cl)c1 ZINC000075402929 1032227200 /nfs/dbraw/zinc/22/72/00/1032227200.db2.gz HMTVZDPQJWDBHI-DZGCQCFKSA-N 0 0 337.206 4.096 50 0 EIAARN Fc1nc(F)c(F)c(N=NCc2ccccc2C(F)(F)F)c1F ZINC000254799504 1018965252 /nfs/dbraw/zinc/96/52/52/1018965252.db2.gz XJYJGEGUKPFPGI-UHFFFAOYSA-N 0 0 337.198 4.103 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000022135457 1021082409 /nfs/dbraw/zinc/08/24/09/1021082409.db2.gz GMNFDNNITRBHKY-CSKARUKUSA-N 0 0 346.342 4.445 50 0 EIAARN c1coc(-c2nnc(-c3cccc(-c4nnc(-c5ccco5)o4)c3)o2)c1 ZINC000022146013 1021121902 /nfs/dbraw/zinc/12/19/02/1021121902.db2.gz HTFUAKJJLADLTB-UHFFFAOYSA-N 0 0 346.302 4.307 50 0 EIAARN CC(=O)N1CCc2cc(N[C@H](C)c3ncc(C(C)(C)C)o3)ccc21 ZINC000177414373 1021203254 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C[C@@]1(COc2ccncc2)CCCN(Cc2c(F)cccc2F)C1 ZINC000257195708 1022780343 /nfs/dbraw/zinc/78/03/43/1022780343.db2.gz WSESRWUBFQCIHJ-LJQANCHMSA-N 0 0 332.394 4.041 50 0 EIAARN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc2[nH]ccc2c1 ZINC000329339061 1022864571 /nfs/dbraw/zinc/86/45/71/1022864571.db2.gz NMYJLSHGVTTWHY-IBGZPJMESA-N 0 0 348.450 4.287 50 0 EIAARN O=C(c1ccccc1NCc1cnc2ccccc2c1)N1CCCCC1 ZINC000296132680 1023294809 /nfs/dbraw/zinc/29/48/09/1023294809.db2.gz VXMDZDGAEFWEIW-UHFFFAOYSA-N 0 0 345.446 4.473 50 0 EIAARN Cc1cc2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2nc1C ZINC000675030399 1023341066 /nfs/dbraw/zinc/34/10/66/1023341066.db2.gz YOYZBCILQJHGMC-UHFFFAOYSA-N 0 0 331.828 4.401 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)c(OC(C)C)nn3C)cc1 ZINC000675028362 1023344672 /nfs/dbraw/zinc/34/46/72/1023344672.db2.gz QNRRCZLHRBJTRK-UHFFFAOYSA-N 0 0 338.411 4.313 50 0 EIAARN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C(C)=O)s1)CCC2 ZINC000331513861 1023662191 /nfs/dbraw/zinc/66/21/91/1023662191.db2.gz 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/nfs/dbraw/zinc/93/51/08/1025935108.db2.gz NNLBNAPYWUVEAS-OAHLLOKOSA-N 0 0 347.344 4.035 50 0 EIAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccc(F)c1 ZINC000006337117 1025966192 /nfs/dbraw/zinc/96/61/92/1025966192.db2.gz PCQCRIVEWTWQCQ-JYRVWZFOSA-N 0 0 326.396 4.158 50 0 EIAARN Cc1nn(C)c(C)c1-c1ccnc(N2CCC[C@H]2c2ccccc2C)n1 ZINC000023159325 1027922850 /nfs/dbraw/zinc/92/28/50/1027922850.db2.gz CIKVDHLYFOGLRA-IBGZPJMESA-N 0 0 347.466 4.144 50 0 EIAARN O=C(/C=C/c1nccs1)N[C@@H](c1cccs1)c1ccccc1 ZINC000047416265 1034505019 /nfs/dbraw/zinc/50/50/19/1034505019.db2.gz YOUXQUSLDNQQDZ-KBOKABMXSA-N 0 0 326.446 4.124 50 0 EIAARN COc1cc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc(OC)c1 ZINC000015857949 1035443052 /nfs/dbraw/zinc/44/30/52/1035443052.db2.gz NQVQUSITXGKOFZ-CMDGGOBGSA-N 0 0 349.430 4.033 50 0 EIAARN O=C(Nc1ccsc1C(=O)N1CCCCCC1)c1ccccc1 ZINC000005899704 1035451569 /nfs/dbraw/zinc/45/15/69/1035451569.db2.gz VRVVWOADWFMCEW-UHFFFAOYSA-N 0 0 328.437 4.017 50 0 EIAARN O=C(CC[C@H]1CCCOC1)Nc1ccccc1CCC(F)(F)F ZINC000156725862 1036262834 /nfs/dbraw/zinc/26/28/34/1036262834.db2.gz PRMSMEMRYXQMQK-CYBMUJFWSA-N 0 0 329.362 4.327 50 0 EIAARN Cc1ccc(N2C[C@H](c3noc(-c4ccc(C)cc4C)n3)CC2=O)cc1 ZINC000169755259 1036317893 /nfs/dbraw/zinc/31/78/93/1036317893.db2.gz VWTRCFBSMUWGQR-MRXNPFEDSA-N 0 0 347.418 4.182 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1c(Cl)cc(F)cc1Br ZINC000170591103 1036685005 /nfs/dbraw/zinc/68/50/05/1036685005.db2.gz KPALVYSKCLZRSO-ONEGZZNKSA-N 0 0 344.567 4.487 50 0 EIAARN CCn1nc(C)c(NC(=O)c2oc3c(cccc3Cl)c2C)c1C ZINC000172817365 1038331768 /nfs/dbraw/zinc/33/17/68/1038331768.db2.gz GYDHKLKQKDJLHM-UHFFFAOYSA-N 0 0 331.803 4.480 50 0 EIAARN Cc1nc(CC(C)C)c(NC(=O)N2CCCC(F)(F)CC2)s1 ZINC000626439469 1038379082 /nfs/dbraw/zinc/37/90/82/1038379082.db2.gz MFIWGADGTKZTBK-UHFFFAOYSA-N 0 0 331.432 4.303 50 0 EIAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000006539809 1039034039 /nfs/dbraw/zinc/03/40/39/1039034039.db2.gz UKWWXQSUKPDSGK-UHFFFAOYSA-N 0 0 341.798 4.095 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096851363 1039485552 /nfs/dbraw/zinc/48/55/52/1039485552.db2.gz LQWFWWJSNDOBAA-KHPPLWFESA-N 0 0 333.391 4.363 50 0 EIAARN COc1cccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1F ZINC000534875063 1039825104 /nfs/dbraw/zinc/82/51/04/1039825104.db2.gz UXUIXQCCJBLDFK-AWEZNQCLSA-N 0 0 329.415 4.321 50 0 EIAARN COc1ccc(C)cc1NC(=O)NCc1cccn1Cc1ccccc1 ZINC000006917729 1039858816 /nfs/dbraw/zinc/85/88/16/1039858816.db2.gz RARZXSGOLOHCDY-UHFFFAOYSA-N 0 0 349.434 4.175 50 0 EIAARN Cc1cccnc1CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000080117844 1041925342 /nfs/dbraw/zinc/92/53/42/1041925342.db2.gz IQPSWKJPVARGMA-HXUWFJFHSA-N 0 0 335.451 4.142 50 0 EIAARN COc1ccc(CC(N=Nc2ccccn2)c2ccc(OC)cc2)cc1 ZINC000254701197 1042833649 /nfs/dbraw/zinc/83/36/49/1042833649.db2.gz MQJCHDCOEYTREW-UHFFFAOYSA-N 0 0 347.418 4.158 50 0 EIAARN Cc1cc(F)cc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000152840514 1043002727 /nfs/dbraw/zinc/00/27/27/1043002727.db2.gz MVHMFPQFTKBVHG-MRXNPFEDSA-N 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ZINC000095429140 1047780118 /nfs/dbraw/zinc/78/01/18/1047780118.db2.gz MEJNQFCXKRJYOX-BWAMLYQTSA-N 0 0 329.465 4.007 50 0 EIAARN CN(C(=O)c1occ2c1CCC2)[C@H](c1ccccc1)c1ccccn1 ZINC000585081627 1049384283 /nfs/dbraw/zinc/38/42/83/1049384283.db2.gz DGAUCUCRNPTMQT-LJQANCHMSA-N 0 0 332.403 4.025 50 0 EIAARN CCN(C(=O)c1ccccc1OC1CC1)[C@@H]1CCCc2cccnc21 ZINC000585083874 1049404481 /nfs/dbraw/zinc/40/44/81/1049404481.db2.gz HMHNQRXNLZSASB-GOSISDBHSA-N 0 0 336.435 4.163 50 0 EIAARN CC(C)OCc1ccccc1-c1noc([C@H]2OCC[C@H]2C(C)C)n1 ZINC000585084048 1049405172 /nfs/dbraw/zinc/40/51/72/1049405172.db2.gz LVPLCCMRQZEZCL-RDJZCZTQSA-N 0 0 330.428 4.395 50 0 EIAARN CC[C@H](C)c1cc(-c2nc(C3(c4cccc(OC)c4)CC3)no2)on1 ZINC000585084350 1049412179 /nfs/dbraw/zinc/41/21/79/1049412179.db2.gz NYOISUPLVYISQZ-LBPRGKRZSA-N 0 0 339.395 4.327 50 0 EIAARN CCC(CC)n1ncc(C(=O)Nc2cccc3oc(C)nc32)c1C ZINC000585087560 1049475224 /nfs/dbraw/zinc/47/52/24/1049475224.db2.gz KQGUMDDSNCKSJV-UHFFFAOYSA-N 0 0 326.400 4.255 50 0 EIAARN CC(C)Oc1ccc([C@H](C)NCc2nnc3ccccn32)cc1Cl ZINC000952962882 1049681949 /nfs/dbraw/zinc/68/19/49/1049681949.db2.gz DMGPFWLTDFPIPY-ZDUSSCGKSA-N 0 0 344.846 4.021 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)CC(=O)N1CC[C@@H]1c1cccs1 ZINC000952971648 1049683236 /nfs/dbraw/zinc/68/32/36/1049683236.db2.gz UVEHPKROCLITAR-CQSZACIVSA-N 0 0 348.855 4.012 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)c2ncccc12)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000952971320 1049683569 /nfs/dbraw/zinc/68/35/69/1049683569.db2.gz GMQLWMYDKCVMPD-MCWVRSQISA-N 0 0 347.462 4.066 50 0 EIAARN CCCc1cc(CNCc2cnc(-c3cccc(OC)c3)s2)on1 ZINC000952978797 1049686696 /nfs/dbraw/zinc/68/66/96/1049686696.db2.gz ZTZQFMDKUPUPJP-UHFFFAOYSA-N 0 0 343.452 4.049 50 0 EIAARN Cc1ccc2[nH]c([C@H](NC(=O)NCc3cccs3)C(C)C)nc2c1 ZINC000952980550 1049686926 /nfs/dbraw/zinc/68/69/26/1049686926.db2.gz KDKACBGLLSLQQS-MRXNPFEDSA-N 0 0 342.468 4.129 50 0 EIAARN O=C(C[C@@H](Cc1ccccc1)c1ccco1)N1CC(c2ccncc2)C1 ZINC000952990228 1049691876 /nfs/dbraw/zinc/69/18/76/1049691876.db2.gz XQGJHXVTTTVSED-LJQANCHMSA-N 0 0 346.430 4.017 50 0 EIAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@@H]1CC=CCC1 ZINC000952990524 1049691997 /nfs/dbraw/zinc/69/19/97/1049691997.db2.gz VSDVPJRHRMUGOW-QGZVFWFLSA-N 0 0 326.465 4.337 50 0 EIAARN C[C@@H](c1ccncc1)N(C)Cc1csc(COc2ccccc2)n1 ZINC000179678774 1049712158 /nfs/dbraw/zinc/71/21/58/1049712158.db2.gz YQUDVRLGPOHDCW-HNNXBMFYSA-N 0 0 339.464 4.310 50 0 EIAARN CCOc1ccc(-c2nc(CN(Cc3ccccn3)C3CC3)co2)cc1 ZINC000180857653 1049955278 /nfs/dbraw/zinc/95/52/78/1049955278.db2.gz AWQVDYNXUHFQDK-UHFFFAOYSA-N 0 0 349.434 4.300 50 0 EIAARN COCc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000011074524 1051007899 /nfs/dbraw/zinc/00/78/99/1051007899.db2.gz GDHUEGWQIHSQQL-UHFFFAOYSA-N 0 0 346.430 4.244 50 0 EIAARN CCc1noc(C)c1-c1noc(-c2ccc(O[C@H]3CC3(F)F)cc2)n1 ZINC000528183045 1053584539 /nfs/dbraw/zinc/58/45/39/1053584539.db2.gz LPEDXPPCGWGBKZ-ZDUSSCGKSA-N 0 0 347.321 4.049 50 0 EIAARN CCc1ccc([C@H]2CCCCN2C(=O)Cc2ccc3c[nH]nc3c2)o1 ZINC000684448345 1053813857 /nfs/dbraw/zinc/81/38/57/1053813857.db2.gz RYVRVNBHQHEGAN-GOSISDBHSA-N 0 0 337.423 4.015 50 0 EIAARN CCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(C)c2)c1 ZINC000006706354 1055291948 /nfs/dbraw/zinc/29/19/48/1055291948.db2.gz PTVFXUXQKFRJQJ-LJQANCHMSA-N 0 0 340.448 4.122 50 0 EIAARN O=c1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)c[nH]1 ZINC000018045657 1056031652 /nfs/dbraw/zinc/03/16/52/1056031652.db2.gz XAESXCBPFGVNKA-UHFFFAOYSA-N 0 0 335.794 4.093 50 0 EIAARN CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000087160915 1056521386 /nfs/dbraw/zinc/52/13/86/1056521386.db2.gz UEMOMTJNOJLLMO-GOSISDBHSA-N 0 0 326.440 4.014 50 0 EIAARN CCO/C=C1/C(=O)N(c2ccc(F)cc2Cl)C(=O)c2ccccc21 ZINC000002353986 1056523793 /nfs/dbraw/zinc/52/37/93/1056523793.db2.gz HSNLEJOJQRZMJP-GXDHUFHOSA-N 0 0 345.757 4.044 50 0 EIAARN C[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000054950657 1056684294 /nfs/dbraw/zinc/68/42/94/1056684294.db2.gz GWGRFVYQIRLIMW-XJKSGUPXSA-N 0 0 334.423 4.001 50 0 EIAARN O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1ccoc1C1CC1 ZINC000578204909 1058882528 /nfs/dbraw/zinc/88/25/28/1058882528.db2.gz APXDPFMMCNVTJA-UHFFFAOYSA-N 0 0 344.436 4.303 50 0 EIAARN CNC(=O)[C@H]1CCCc2sc(/C=C\c3cccc(Cl)c3)nc21 ZINC000578771631 1059066864 /nfs/dbraw/zinc/06/68/64/1059066864.db2.gz WWQLJDFPTUISDJ-YXVBKTCISA-N 0 0 332.856 4.133 50 0 EIAARN Cc1cnc(C[C@@H]2CCN(C(=O)CCC3CCCC3)C2)n1C(C)C ZINC000581806098 1060015899 /nfs/dbraw/zinc/01/58/99/1060015899.db2.gz LDTPWYTYPLKADH-SFHVURJKSA-N 0 0 331.504 4.134 50 0 EIAARN Cc1cnc(-c2ccccc2)n1[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581807307 1060017376 /nfs/dbraw/zinc/01/73/76/1060017376.db2.gz HUKBUCYZUDMKOD-LJQANCHMSA-N 0 0 337.467 4.212 50 0 EIAARN Cc1cnc(-c2ccccc2)n1[C@@H]1CCN(C(=O)c2ccsc2)C1 ZINC000581807297 1060017860 /nfs/dbraw/zinc/01/78/60/1060017860.db2.gz HOBLDRFZJYUUKV-QGZVFWFLSA-N 0 0 337.448 4.007 50 0 EIAARN Cn1c(SCc2ccccc2Oc2cccnc2)nnc1C1CC1 ZINC000050234945 214051092 /nfs/dbraw/zinc/05/10/92/214051092.db2.gz OLHXSDNMYYVNIN-UHFFFAOYSA-N 0 0 338.436 4.172 50 0 EIAARN CCc1nc(C)c(C(=O)Nc2ccc(Br)cc2)s1 ZINC000050256131 214051842 /nfs/dbraw/zinc/05/18/42/214051842.db2.gz BOOZTSZCSVJMDA-UHFFFAOYSA-N 0 0 325.231 4.029 50 0 EIAARN CCN(C(=O)c1cn2c(cccc2C)n1)c1ccc2ccccc2c1 ZINC000050380771 214055352 /nfs/dbraw/zinc/05/53/52/214055352.db2.gz FSTQNJAAKAAYMH-UHFFFAOYSA-N 0 0 329.403 4.463 50 0 EIAARN CCC(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000004740593 210265722 /nfs/dbraw/zinc/26/57/22/210265722.db2.gz WKNQFXKUCSZEIU-UHFFFAOYSA-N 0 0 347.212 4.050 50 0 EIAARN Cc1ccc(Nc2c(-c3cccc(O)c3)nc3ncccn32)cc1C ZINC000004734261 210264474 /nfs/dbraw/zinc/26/44/74/210264474.db2.gz KWIFBNWHOHJFGU-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)Nc2ccc(OC)cc2C)c1 ZINC000051355835 214089867 /nfs/dbraw/zinc/08/98/67/214089867.db2.gz QCTHBLOBZOYXNX-UHFFFAOYSA-N 0 0 344.411 4.445 50 0 EIAARN COc1ccc(-c2nc3ncccn3c2Nc2ccc(F)cc2)cc1 ZINC000004734286 210263757 /nfs/dbraw/zinc/26/37/57/210263757.db2.gz QCCRAORNZACINO-UHFFFAOYSA-N 0 0 334.354 4.288 50 0 EIAARN O=C(NCc1ccccc1Cl)c1ccccc1Oc1cccnc1 ZINC000051977118 214110724 /nfs/dbraw/zinc/11/07/24/214110724.db2.gz SGVKRIPOQFQVHU-UHFFFAOYSA-N 0 0 338.794 4.457 50 0 EIAARN CCCCc1cc(-c2n[nH]cc2-c2csc(C)n2)c(O)cc1O ZINC000004730611 210263332 /nfs/dbraw/zinc/26/33/32/210263332.db2.gz JROBNUIRCFXVDQ-UHFFFAOYSA-N 0 0 329.425 4.262 50 0 EIAARN Cc1nnc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)s1 ZINC000052605512 214137056 /nfs/dbraw/zinc/13/70/56/214137056.db2.gz LESFISJLXDXATD-UHFFFAOYSA-N 0 0 348.431 4.102 50 0 EIAARN CCc1c(C(=O)N[C@H](C)c2cc(C)sc2C)[nH]c(C)c1C(C)=O ZINC000052579886 214135181 /nfs/dbraw/zinc/13/51/81/214135181.db2.gz IUZYWJODPJNYFD-SNVBAGLBSA-N 0 0 332.469 4.257 50 0 EIAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(Cl)cn1 ZINC000004724996 210261482 /nfs/dbraw/zinc/26/14/82/210261482.db2.gz RZPHHQOUMLDGKD-UHFFFAOYSA-N 0 0 339.222 4.495 50 0 EIAARN CCOc1cc(C)c(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1C(C)C ZINC000097660450 219045872 /nfs/dbraw/zinc/04/58/72/219045872.db2.gz ZUFZQIHPMPGWJC-KRWDZBQOSA-N 0 0 333.472 4.346 50 0 EIAARN CCCC(=O)Nc1cccc(CNCc2csc(C(C)(C)C)n2)c1 ZINC000053018916 214159443 /nfs/dbraw/zinc/15/94/43/214159443.db2.gz CPPJWHPPVHYGKH-UHFFFAOYSA-N 0 0 345.512 4.469 50 0 EIAARN Cc1ccc(CN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)C2CC2)o1 ZINC000053989710 214209356 /nfs/dbraw/zinc/20/93/56/214209356.db2.gz SQOGEMXYDNYUAI-UHFFFAOYSA-N 0 0 341.436 4.153 50 0 EIAARN O=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000004702108 210253093 /nfs/dbraw/zinc/25/30/93/210253093.db2.gz QKGSIAHFSHYDIY-UHFFFAOYSA-N 0 0 325.589 4.494 50 0 EIAARN CCCN(C(=O)c1ccc2n[nH]nc2c1)[C@@H](C)c1cc2ccccc2o1 ZINC000054283575 214229317 /nfs/dbraw/zinc/22/93/17/214229317.db2.gz WXBXRGAEBALSBA-ZDUSSCGKSA-N 0 0 348.406 4.318 50 0 EIAARN CCc1nc(SC)ncc1C(=O)Nc1ccccc1C(F)(F)F ZINC000020931668 212190119 /nfs/dbraw/zinc/19/01/19/212190119.db2.gz NAQIEWSCCAMLAL-UHFFFAOYSA-N 0 0 341.358 4.032 50 0 EIAARN Cc1nc(NC(=O)CSC2=Nc3ccccc3CS2)sc1C ZINC000054745987 214254505 /nfs/dbraw/zinc/25/45/05/214254505.db2.gz SFMRTAJEMZRDBL-UHFFFAOYSA-N 0 0 349.506 4.366 50 0 EIAARN CCC(CC)C(=O)Nc1nnc(/C=C/c2ccc(OC)cc2)s1 ZINC000004695009 210250855 /nfs/dbraw/zinc/25/08/55/210250855.db2.gz GHNFAEROYAEDAR-DHZHZOJOSA-N 0 0 331.441 4.092 50 0 EIAARN CN(Cc1ccoc1)C(=O)c1cccc(NCc2cccs2)c1 ZINC000055169156 214282577 /nfs/dbraw/zinc/28/25/77/214282577.db2.gz ZDYGQPQUTLLBMT-UHFFFAOYSA-N 0 0 326.421 4.225 50 0 EIAARN CCCC[C@@H](CC)C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000004696298 210250015 /nfs/dbraw/zinc/25/00/15/210250015.db2.gz VRYRQYMMLJOJBO-OAHLLOKOSA-N 0 0 331.485 4.478 50 0 EIAARN Cc1cccnc1[C@@H](C)NC(=O)CSCc1ccccc1Cl ZINC000055228480 214292565 /nfs/dbraw/zinc/29/25/65/214292565.db2.gz UVKUFGOEFSMHFQ-CYBMUJFWSA-N 0 0 334.872 4.154 50 0 EIAARN CC[C@@H](C)N(Cc1ccsc1)C(=O)c1ccc(OC)cc1OC ZINC000055227507 214292754 /nfs/dbraw/zinc/29/27/54/214292754.db2.gz ZDIYQMVJXSTXKD-CYBMUJFWSA-N 0 0 333.453 4.206 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000055280997 214300251 /nfs/dbraw/zinc/30/02/51/214300251.db2.gz OTBREXDXJSZZOC-ZIUDEIKKSA-N 0 0 329.488 4.152 50 0 EIAARN CCCCOc1c(CN[C@H](C)c2ncccc2C)cccc1OC ZINC000055310118 214304972 /nfs/dbraw/zinc/30/49/72/214304972.db2.gz PPIWPJFOKZUKJI-MRXNPFEDSA-N 0 0 328.456 4.428 50 0 EIAARN C[C@@H](c1nccs1)N(C)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000055308774 214305543 /nfs/dbraw/zinc/30/55/43/214305543.db2.gz AMAWKRPAMGECOJ-ZDUSSCGKSA-N 0 0 338.432 4.349 50 0 EIAARN CC[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C2CCCC2)c1 ZINC000055385063 214315553 /nfs/dbraw/zinc/31/55/53/214315553.db2.gz HEJXKECMXYEEDX-SFHVURJKSA-N 0 0 328.456 4.220 50 0 EIAARN COc1ccc(CN(Cc2ccccn2)CC(C)C)c(Cl)c1O ZINC000055344504 214310184 /nfs/dbraw/zinc/31/01/84/214310184.db2.gz FZDUAILPMGAQLO-UHFFFAOYSA-N 0 0 334.847 4.107 50 0 EIAARN O=c1oc2c(ccc3c2CN(Cc2ccccc2)CO3)c2c1CCCC2 ZINC000055393824 214317910 /nfs/dbraw/zinc/31/79/10/214317910.db2.gz JUJZAJOOKRHRSH-UHFFFAOYSA-N 0 0 347.414 4.024 50 0 EIAARN COc1ccccc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000055530859 214328269 /nfs/dbraw/zinc/32/82/69/214328269.db2.gz LUKSLNBRLLQXCD-CQSZACIVSA-N 0 0 342.464 4.025 50 0 EIAARN Cc1nc2ccc(NCc3nc(Cc4ccccc4)no3)cc2s1 ZINC000055831741 214344174 /nfs/dbraw/zinc/34/41/74/214344174.db2.gz LNPCDWYBURVXJR-UHFFFAOYSA-N 0 0 336.420 4.191 50 0 EIAARN COc1ccc2oc(C)c(C(=O)N3CCC(OCC(C)C)CC3)c2c1 ZINC000055912359 214348005 /nfs/dbraw/zinc/34/80/05/214348005.db2.gz QECVAOLKHJJDNS-UHFFFAOYSA-N 0 0 345.439 4.027 50 0 EIAARN Cc1c(C(=O)N(C)c2ccc(F)c(F)c2)cnn1-c1ccccc1C ZINC000056227266 214365842 /nfs/dbraw/zinc/36/58/42/214365842.db2.gz YJSKCMTXHQIKIN-UHFFFAOYSA-N 0 0 341.361 4.044 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000004682374 210245820 /nfs/dbraw/zinc/24/58/20/210245820.db2.gz IAFORFBBYPVGJO-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN CCOc1ccc(OC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 ZINC000056229058 214366145 /nfs/dbraw/zinc/36/61/45/214366145.db2.gz SLOIGCDQNSYEIL-UHFFFAOYSA-N 0 0 340.404 4.153 50 0 EIAARN Cc1cc(NC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)n(C)n1 ZINC000056504095 214377363 /nfs/dbraw/zinc/37/73/63/214377363.db2.gz OKIKHTCWJKMRIT-UHFFFAOYSA-N 0 0 348.834 4.347 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1ccccn1 ZINC000056520968 214378756 /nfs/dbraw/zinc/37/87/56/214378756.db2.gz HVKNUIATBDXDSN-OAHLLOKOSA-N 0 0 335.329 4.469 50 0 EIAARN Cc1nccc(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)n1 ZINC000056532771 214379416 /nfs/dbraw/zinc/37/94/16/214379416.db2.gz PPEFWIIZLLAPSC-UHFFFAOYSA-N 0 0 326.444 4.354 50 0 EIAARN CCN(CC)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000056764647 214387962 /nfs/dbraw/zinc/38/79/62/214387962.db2.gz RMNBBQKUNUIJTP-UHFFFAOYSA-N 0 0 335.791 4.059 50 0 EIAARN COC(=O)c1cc(Nc2ccc(N(C)C)cc2)c2cc(C)ccc2n1 ZINC000056984641 214398828 /nfs/dbraw/zinc/39/88/28/214398828.db2.gz CXEGHWWCYVDSME-UHFFFAOYSA-N 0 0 335.407 4.139 50 0 EIAARN O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)c1ccncc1 ZINC000057084080 214404606 /nfs/dbraw/zinc/40/46/06/214404606.db2.gz ZSBSJCOKVIQTPD-MRXNPFEDSA-N 0 0 328.824 4.316 50 0 EIAARN O=C(NCc1ccccc1Cl)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057413519 214426185 /nfs/dbraw/zinc/42/61/85/214426185.db2.gz XTBIFMSVIOZNHH-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN O=c1[nH]c(COCc2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000057771580 214450885 /nfs/dbraw/zinc/45/08/85/214450885.db2.gz BATCLDDGUAPKEJ-UHFFFAOYSA-N 0 0 335.190 4.359 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)NC1CCCCCCC1 ZINC000058018098 214472655 /nfs/dbraw/zinc/47/26/55/214472655.db2.gz IMHRSVXXLVOSCY-UHFFFAOYSA-N 0 0 343.471 4.157 50 0 EIAARN CCCCC(=O)Nc1ccc(NCc2cccc(OC)c2)cc1OC ZINC000004661535 210240440 /nfs/dbraw/zinc/24/04/40/210240440.db2.gz HFQUCQSMLBBSSW-UHFFFAOYSA-N 0 0 342.439 4.445 50 0 EIAARN CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)c(C)c1 ZINC000004661205 210240450 /nfs/dbraw/zinc/24/04/50/210240450.db2.gz PNGOFFIYHGTABC-MRXNPFEDSA-N 0 0 326.440 4.247 50 0 EIAARN O=C(NCc1ccoc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000058192218 214498502 /nfs/dbraw/zinc/49/85/02/214498502.db2.gz LVSDTCBEEGZYGO-UHFFFAOYSA-N 0 0 330.387 4.213 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1 ZINC000058231033 214513099 /nfs/dbraw/zinc/51/30/99/214513099.db2.gz CANUIGALHIAZRZ-CRAIPNDOSA-N 0 0 337.467 4.144 50 0 EIAARN O=c1nc(-c2ccncc2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000004649955 210237117 /nfs/dbraw/zinc/23/71/17/210237117.db2.gz HLXGRTZLQMRQKQ-UHFFFAOYSA-N 0 0 339.807 4.367 50 0 EIAARN O=C(NCc1ccoc1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000058309597 214541049 /nfs/dbraw/zinc/54/10/49/214541049.db2.gz UHVNOYGBCQIDNI-UHFFFAOYSA-N 0 0 333.391 4.296 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)c2cc3c(cccc3F)s2)cc1 ZINC000058357429 214560414 /nfs/dbraw/zinc/56/04/14/214560414.db2.gz KHPLVVXCLAVHLU-UHFFFAOYSA-N 0 0 342.395 4.275 50 0 EIAARN CS[C@H](C)c1cccc(NC(=O)N2CCC3(C2)CCOCC3)c1 ZINC000098014259 219069481 /nfs/dbraw/zinc/06/94/81/219069481.db2.gz QUUGLBLKUKYINM-CQSZACIVSA-N 0 0 334.485 4.145 50 0 EIAARN O=C(NC1(c2ccc(F)cc2)CCCC1)[C@@H]1Cc2ccccc2S1 ZINC000058391908 214569795 /nfs/dbraw/zinc/56/97/95/214569795.db2.gz HRSQPWKRSSABDU-SFHVURJKSA-N 0 0 341.451 4.428 50 0 EIAARN Cc1nnc2sc(-c3ccc(NCc4ccc(C)cc4)cc3)nn12 ZINC000004622024 210234423 /nfs/dbraw/zinc/23/44/23/210234423.db2.gz OBXSAUGBJRHQHN-UHFFFAOYSA-N 0 0 335.436 4.082 50 0 EIAARN CC[C@@H](NC(=O)N(C)CCc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000098024522 219070999 /nfs/dbraw/zinc/07/09/99/219070999.db2.gz JGUMRJAILQXRDC-LJQANCHMSA-N 0 0 344.430 4.170 50 0 EIAARN CCc1nnc([C@H]2Cc3ccccc3CN2c2nc3ccccc3o2)o1 ZINC000058433935 214587631 /nfs/dbraw/zinc/58/76/31/214587631.db2.gz IOOFNLOFBIEQAX-MRXNPFEDSA-N 0 0 346.390 4.077 50 0 EIAARN CC(=O)c1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 ZINC000004624280 210233145 /nfs/dbraw/zinc/23/31/45/210233145.db2.gz IDLXVZLOIZFVQL-UHFFFAOYSA-N 0 0 336.416 4.168 50 0 EIAARN Cc1cc([C@H](C)NC(=O)/C=C\c2c(Cl)nc3ccccn23)c(C)o1 ZINC000098055439 219075520 /nfs/dbraw/zinc/07/55/20/219075520.db2.gz XIHDXSRXQFKINR-KRZKBDHCSA-N 0 0 343.814 4.088 50 0 EIAARN CN(CCc1ccc(F)cc1)C(=O)/C=C\c1cccc2cccnc12 ZINC000098055210 219075052 /nfs/dbraw/zinc/07/50/52/219075052.db2.gz KDNRROHHKGZFQK-XFXZXTDPSA-N 0 0 334.394 4.088 50 0 EIAARN O=C(Oc1ccc(-c2nc(-c3cccnc3)no2)cc1)c1ccccc1 ZINC000004593134 210229059 /nfs/dbraw/zinc/22/90/59/210229059.db2.gz PLYKTWJQOFRCER-UHFFFAOYSA-N 0 0 343.342 4.018 50 0 EIAARN COc1ccc(C2=N/C(=C\C(Cl)=C\c3ccccc3)C(=O)O2)cc1 ZINC000004589823 210227154 /nfs/dbraw/zinc/22/71/54/210227154.db2.gz AUJPPLBXZCCVRU-OZFCMSLCSA-N 0 0 339.778 4.162 50 0 EIAARN O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccccn1 ZINC000060237859 214630327 /nfs/dbraw/zinc/63/03/27/214630327.db2.gz ILEPTIXHWWBKOM-IBGZPJMESA-N 0 0 338.357 4.074 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@@H]2c1cccc(OCc2ccccc2)c1 ZINC000049545854 214016734 /nfs/dbraw/zinc/01/67/34/214016734.db2.gz LLBPWXAMGDTYQY-QGZVFWFLSA-N 0 0 333.391 4.123 50 0 EIAARN Cc1ccc2c(COC(=O)c3cc4c(s3)CCC4)cc(=O)oc2c1 ZINC000004581442 210226145 /nfs/dbraw/zinc/22/61/45/210226145.db2.gz XBJMURNVVWQKEP-UHFFFAOYSA-N 0 0 340.400 4.009 50 0 EIAARN Cc1nn(C)c2c1[C@@H](c1ccc(-c3ccccc3)o1)SCC(=O)N2 ZINC000049544830 214016301 /nfs/dbraw/zinc/01/63/01/214016301.db2.gz GBNPRZOQLPGUQI-QGZVFWFLSA-N 0 0 339.420 4.413 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2cccc(Cl)c2)o1 ZINC000049544348 214016538 /nfs/dbraw/zinc/01/65/38/214016538.db2.gz ALXFAKOHGJMSFP-LBPRGKRZSA-N 0 0 327.771 4.457 50 0 EIAARN CCOc1ccccc1NC(=O)CCc1ccc(OC)c(Cl)c1 ZINC000004542040 210218055 /nfs/dbraw/zinc/21/80/55/210218055.db2.gz YWPQLCHNBZDCRG-UHFFFAOYSA-N 0 0 333.815 4.319 50 0 EIAARN Cn1cccc1CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C1CC1 ZINC000062018306 214693770 /nfs/dbraw/zinc/69/37/70/214693770.db2.gz XIFXMXAPQLUDPT-UHFFFAOYSA-N 0 0 346.858 4.027 50 0 EIAARN Cc1ccc(NCN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1 ZINC000004534396 210215266 /nfs/dbraw/zinc/21/52/66/210215266.db2.gz GGVMLTLGTYIQDK-MHWRWJLKSA-N 0 0 342.395 4.240 50 0 EIAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 ZINC000004525565 210213266 /nfs/dbraw/zinc/21/32/66/210213266.db2.gz IHIULIUAYBBVFZ-RFAUZJTJSA-N 0 0 332.856 4.380 50 0 EIAARN CSc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000004517576 210211566 /nfs/dbraw/zinc/21/15/66/210211566.db2.gz GIGDWZUVIIIABC-UHFFFAOYSA-N 0 0 346.477 4.272 50 0 EIAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 ZINC000100211936 219094035 /nfs/dbraw/zinc/09/40/35/219094035.db2.gz LKOBDBGCQQSYIZ-CTNGQTDRSA-N 0 0 327.387 4.324 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2cccs2)[nH]c1=O ZINC000063888104 214775692 /nfs/dbraw/zinc/77/56/92/214775692.db2.gz QTYIIFDIQBZJQX-UHFFFAOYSA-N 0 0 344.823 4.318 50 0 EIAARN Cc1ccc(-c2nc(C(=O)NC(C3CC3)C3CC3)cs2)c(C)c1 ZINC000063918522 214776039 /nfs/dbraw/zinc/77/60/39/214776039.db2.gz JTCHMMWQMQRZFR-UHFFFAOYSA-N 0 0 326.465 4.345 50 0 EIAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCC1CCCC1 ZINC000004487181 210200848 /nfs/dbraw/zinc/20/08/48/210200848.db2.gz HFPIZUADQIDNHX-UHFFFAOYSA-N 0 0 341.455 4.444 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000004484934 210200467 /nfs/dbraw/zinc/20/04/67/210200467.db2.gz IQKBAQYTPYKTKN-PWSUYJOCSA-N 0 0 337.876 4.003 50 0 EIAARN Cc1ccc(CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000004477441 210197743 /nfs/dbraw/zinc/19/77/43/210197743.db2.gz YMGUSEKEEOELRT-JOCHJYFZSA-N 0 0 344.414 4.115 50 0 EIAARN Clc1ccc(C2=Nc3nnnn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100622321 219102657 /nfs/dbraw/zinc/10/26/57/219102657.db2.gz PLWADCAOTPQNOD-OAHLLOKOSA-N 0 0 344.205 4.036 50 0 EIAARN Cc1noc([C@H](C)NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1 ZINC000064334911 214782916 /nfs/dbraw/zinc/78/29/16/214782916.db2.gz QPLCTYRHOBCQAV-GXFFZTMASA-N 0 0 347.484 4.082 50 0 EIAARN Fc1ccc(C2=Nc3ncnn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000100635295 219103397 /nfs/dbraw/zinc/10/33/97/219103397.db2.gz JNTLISWBQULGGX-MRXNPFEDSA-N 0 0 326.762 4.127 50 0 EIAARN Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1 ZINC000100644941 219103786 /nfs/dbraw/zinc/10/37/86/219103786.db2.gz GHHSBIVITWSINB-INIZCTEOSA-N 0 0 326.762 4.127 50 0 EIAARN Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000100675792 219104162 /nfs/dbraw/zinc/10/41/62/219104162.db2.gz WIRJNNURCZBGRV-HNNXBMFYSA-N 0 0 327.811 4.079 50 0 EIAARN Fc1cccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCC3)c1 ZINC000064449881 214787039 /nfs/dbraw/zinc/78/70/39/214787039.db2.gz RBKQHDWNFBYXEA-UHFFFAOYSA-N 0 0 345.381 4.163 50 0 EIAARN CCOc1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc1 ZINC000100815593 219108109 /nfs/dbraw/zinc/10/81/09/219108109.db2.gz YDVLIEYNTVGQKY-ZPHPHTNESA-N 0 0 346.839 4.033 50 0 EIAARN COc1ccc(CNC(=O)c2ccc(-c3csc(C)n3)cc2)cc1 ZINC000064677353 214800560 /nfs/dbraw/zinc/80/05/60/214800560.db2.gz BJUJPGZZLGMHSF-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 biogenic EIAARN CCOc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1OCC ZINC000004387908 210185954 /nfs/dbraw/zinc/18/59/54/210185954.db2.gz CVPNYVYWCJFTQZ-UHFFFAOYSA-N 0 0 338.403 4.490 50 0 EIAARN CCc1nc2c(-c3ccccc3)noc2c(NCc2ccccc2)n1 ZINC000064658518 214797552 /nfs/dbraw/zinc/79/75/52/214797552.db2.gz URPZYVXANZZTOF-UHFFFAOYSA-N 0 0 330.391 4.459 50 0 EIAARN CC[C@@H]1Cn2c(C(=O)NCc3ccccc3C)cc3cccc(c32)O1 ZINC000064657957 214798083 /nfs/dbraw/zinc/79/80/83/214798083.db2.gz OCSGDOMAFBPFII-QGZVFWFLSA-N 0 0 334.419 4.051 50 0 EIAARN CCN1c2ccc(Br)cc2[C@@H](Cc2cccc(F)c2)C1=O ZINC000101014156 219113404 /nfs/dbraw/zinc/11/34/04/219113404.db2.gz DEXKSMRKFJGDDJ-OAHLLOKOSA-N 0 0 348.215 4.281 50 0 EIAARN CCN1c2ccc(Br)cc2[C@@H](Cc2ccc(F)cc2)C1=O ZINC000101014152 219113880 /nfs/dbraw/zinc/11/38/80/219113880.db2.gz KTIFFCULLFLBAR-OAHLLOKOSA-N 0 0 348.215 4.281 50 0 EIAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)c1cccc(F)c1 ZINC000004375397 210184038 /nfs/dbraw/zinc/18/40/38/210184038.db2.gz WUAGUXZGQAPQIM-UHFFFAOYSA-N 0 0 344.386 4.061 50 0 EIAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000064800716 214805711 /nfs/dbraw/zinc/80/57/11/214805711.db2.gz VJSFHNRMLWIHEP-UHFFFAOYSA-N 0 0 347.422 4.213 50 0 EIAARN CCCn1c2c(s/c1=N\C(=O)C1CCCCC1)c(C)ccc2OC ZINC000101061488 219115485 /nfs/dbraw/zinc/11/54/85/219115485.db2.gz DKYMWPPOWUKOQP-VXPUYCOJSA-N 0 0 346.496 4.437 50 0 EIAARN CC(C)Cn1cnc2c(c1=N)[C@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000101114450 219116010 /nfs/dbraw/zinc/11/60/10/219116010.db2.gz NWNJPYRRUXKSLG-GOSISDBHSA-N 0 0 347.418 4.010 50 0 EIAARN Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1C ZINC000064823689 214807473 /nfs/dbraw/zinc/80/74/73/214807473.db2.gz UPONKCKJMNBBRS-UYAOXDASSA-N 0 0 348.446 4.093 50 0 EIAARN Cc1ccc(C[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2C)cc1 ZINC000101152266 219117839 /nfs/dbraw/zinc/11/78/39/219117839.db2.gz HGVYNGSVGNPDNN-XJKSGUPXSA-N 0 0 341.838 4.325 50 0 EIAARN Cc1nnc(SCc2c(F)cccc2F)n1-c1ccccc1C ZINC000004358928 210179205 /nfs/dbraw/zinc/17/92/05/210179205.db2.gz HOACZORPMVIJED-UHFFFAOYSA-N 0 0 331.391 4.455 50 0 EIAARN CN(Cc1cccs1)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173572 219118540 /nfs/dbraw/zinc/11/85/40/219118540.db2.gz LAFAJOAOESQLLN-IBGZPJMESA-N 0 0 334.444 4.274 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3NCCC(C)C)cc1Cl ZINC000004354675 210178967 /nfs/dbraw/zinc/17/89/67/210178967.db2.gz RAGCGOYWWKNXIH-UHFFFAOYSA-N 0 0 329.835 4.235 50 0 EIAARN Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2)c1 ZINC000064983932 214819865 /nfs/dbraw/zinc/81/98/65/214819865.db2.gz JDTNZYONCQRFRA-IBGZPJMESA-N 0 0 329.465 4.301 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)OC2(CCCCC2)[C@@]31C ZINC000004343071 210176254 /nfs/dbraw/zinc/17/62/54/210176254.db2.gz ZZADIDGAGAJHPR-LJQANCHMSA-N 0 0 340.423 4.103 50 0 EIAARN O=C(CCc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1 ZINC000004330471 210173095 /nfs/dbraw/zinc/17/30/95/210173095.db2.gz MGIROMZIYZGSEW-UHFFFAOYSA-N 0 0 333.800 4.023 50 0 EIAARN CCCOc1ccc([C@H](C)NC(=O)c2ccnc(Cl)c2)cc1OC ZINC000048374972 213935225 /nfs/dbraw/zinc/93/52/25/213935225.db2.gz DDOOAPDVTWNYAQ-LBPRGKRZSA-N 0 0 348.830 4.023 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)c1ccc(F)cc1 ZINC000004314252 210167802 /nfs/dbraw/zinc/16/78/02/210167802.db2.gz CCPSHIWDQDXCPC-SNVBAGLBSA-N 0 0 348.834 4.305 50 0 EIAARN O=C1OCCN1CCc1nc(-c2cc3cc(Cl)ccc3o2)cs1 ZINC000048356374 213929690 /nfs/dbraw/zinc/92/96/90/213929690.db2.gz TVJNYUHYFKVYCT-UHFFFAOYSA-N 0 0 348.811 4.204 50 0 EIAARN CCc1nc(NC(=O)c2ccc(COc3ccccc3)o2)sc1C ZINC000048366842 213932409 /nfs/dbraw/zinc/93/24/09/213932409.db2.gz HVZZMVPGLCDGRP-UHFFFAOYSA-N 0 0 342.420 4.438 50 0 EIAARN C[N+]1=S(c2ccccc2C(=O)[O-])c2cccc3cccc(c32)C1=O ZINC000004301007 210163503 /nfs/dbraw/zinc/16/35/03/210163503.db2.gz OHSNABJYSPTIDS-UHFFFAOYSA-O 0 0 336.392 4.128 50 0 EIAARN CCOC(=O)c1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1 ZINC000004275333 210158410 /nfs/dbraw/zinc/15/84/10/210158410.db2.gz YECRJRVVXYQZCS-UHFFFAOYSA-N 0 0 340.404 4.034 50 0 EIAARN COc1ccc2[nH]c(SCCCC(=O)c3ccc(F)cc3)nc2c1 ZINC000004274213 210158373 /nfs/dbraw/zinc/15/83/73/210158373.db2.gz YBEHISHSMXNGDK-UHFFFAOYSA-N 0 0 344.411 4.466 50 0 EIAARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccco3)nc21 ZINC000004273217 210158087 /nfs/dbraw/zinc/15/80/87/210158087.db2.gz ZOPWCARGUOSWHW-UHFFFAOYSA-N 0 0 349.415 4.440 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000004276167 210157906 /nfs/dbraw/zinc/15/79/06/210157906.db2.gz ZPDGZAFGGUANRP-UHFFFAOYSA-N 0 0 337.379 4.168 50 0 EIAARN O=C1C[C@H](c2ccsc2)c2cnn(-c3ccc(Cl)cc3)c2N1 ZINC000065331323 214871868 /nfs/dbraw/zinc/87/18/68/214871868.db2.gz GTFZPAJTMVBDAF-CYBMUJFWSA-N 0 0 329.812 4.061 50 0 EIAARN O=C1C[C@H](c2cccc(Cl)c2)c2cnn(-c3ccc(F)cc3)c2N1 ZINC000065331495 214871878 /nfs/dbraw/zinc/87/18/78/214871878.db2.gz KMEKYLCJUUGDEL-OAHLLOKOSA-N 0 0 341.773 4.139 50 0 EIAARN CCc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000065331528 214872010 /nfs/dbraw/zinc/87/20/10/214872010.db2.gz NWNSFUTUDNPPTM-SFHVURJKSA-N 0 0 331.419 4.217 50 0 EIAARN Nn1cc(-c2ccccc2)nc1SCc1ncc(-c2ccccc2)o1 ZINC000004251964 210154298 /nfs/dbraw/zinc/15/42/98/210154298.db2.gz DVEVPWHCBDNMAP-UHFFFAOYSA-N 0 0 348.431 4.211 50 0 EIAARN Cc1cccc(CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)c1 ZINC000004250072 210152943 /nfs/dbraw/zinc/15/29/43/210152943.db2.gz YBHQAMRHQWSBBT-UHFFFAOYSA-N 0 0 348.431 4.098 50 0 EIAARN O=C(CCc1ccc(F)c(F)c1)Nc1cccc(-c2cnco2)c1 ZINC000048204434 213895440 /nfs/dbraw/zinc/89/54/40/213895440.db2.gz WGHWLENVDINJOG-UHFFFAOYSA-N 0 0 328.318 4.191 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004225254 210146896 /nfs/dbraw/zinc/14/68/96/210146896.db2.gz KBCCYZKNDDAUCD-QGZVFWFLSA-N 0 0 333.435 4.133 50 0 EIAARN C/C(=C\c1ccccc1)[C@@H]1CC(=O)Nc2c1cnn2Cc1ccco1 ZINC000065407821 214897626 /nfs/dbraw/zinc/89/76/26/214897626.db2.gz GBPAKBBOBGAHLQ-SHRNQRGKSA-N 0 0 333.391 4.054 50 0 EIAARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1ccc(C)cc1 ZINC000004205854 210145662 /nfs/dbraw/zinc/14/56/62/210145662.db2.gz VPJCJWLJAFUSEX-KNQAVFIVSA-N 0 0 348.446 4.264 50 0 EIAARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1ccc(C)cc1 ZINC000004205852 210145832 /nfs/dbraw/zinc/14/58/32/210145832.db2.gz VPJCJWLJAFUSEX-DENIHFKCSA-N 0 0 348.446 4.264 50 0 EIAARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@@H]1c1ccc(C)cc1 ZINC000004205858 210145844 /nfs/dbraw/zinc/14/58/44/210145844.db2.gz VPJCJWLJAFUSEX-UGKGYDQZSA-N 0 0 348.446 4.264 50 0 EIAARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc(C)cc1 ZINC000004205912 210144966 /nfs/dbraw/zinc/14/49/66/210144966.db2.gz NAFRQUSHHAHPHK-AVRDEDQJSA-N 0 0 348.446 4.264 50 0 EIAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000065496042 214933007 /nfs/dbraw/zinc/93/30/07/214933007.db2.gz RVEZHVDNUUIBDP-DLBZAZTESA-N 0 0 327.449 4.051 50 0 EIAARN Cc1ccc(N2C(=O)S[C@H](Nc3cc(C)ccc3C)C2=O)cc1 ZINC000004151298 210132470 /nfs/dbraw/zinc/13/24/70/210132470.db2.gz RSWIVPJRAKQCCF-INIZCTEOSA-N 0 0 326.421 4.250 50 0 EIAARN CCOc1ccccc1C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004138192 210130010 /nfs/dbraw/zinc/13/00/10/210130010.db2.gz OBXAUWIMGQTSJW-UHFFFAOYSA-N 0 0 348.446 4.375 50 0 EIAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)c1 ZINC000004124000 210126425 /nfs/dbraw/zinc/12/64/25/210126425.db2.gz AGMJZQSFAMHYAU-LPHOPBHVSA-N 0 0 333.416 4.385 50 0 EIAARN Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@H]3c3ccsc3)c2)cs1 ZINC000046913222 213815947 /nfs/dbraw/zinc/81/59/47/213815947.db2.gz MXAOAXNUISJWHQ-INIZCTEOSA-N 0 0 343.477 4.485 50 0 EIAARN Cc1ccccc1CNc1ccc(-c2nc(-c3ccccc3)no2)nn1 ZINC000046913530 213816090 /nfs/dbraw/zinc/81/60/90/213816090.db2.gz SZHNBNFZJSSRPA-UHFFFAOYSA-N 0 0 343.390 4.114 50 0 EIAARN Cc1cccc(CSC2=NCCN2C(=O)c2ccc(C)c(C)c2)c1 ZINC000004120181 210124579 /nfs/dbraw/zinc/12/45/79/210124579.db2.gz XQFPKSZMQRFZGJ-UHFFFAOYSA-N 0 0 338.476 4.357 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)c1 ZINC000065609190 214977913 /nfs/dbraw/zinc/97/79/13/214977913.db2.gz CNTFHUDJFCXNMG-UHFFFAOYSA-N 0 0 349.390 4.315 50 0 EIAARN COc1ccc(-n2ncc3c2ncnc3NCCC2=CCCCC2)cc1 ZINC000004086705 210115936 /nfs/dbraw/zinc/11/59/36/210115936.db2.gz FAMSKERNRLHKEZ-UHFFFAOYSA-N 0 0 349.438 4.127 50 0 EIAARN CCC(CC)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004072353 210113014 /nfs/dbraw/zinc/11/30/14/210113014.db2.gz BKHYDGBWKUDUMK-UHFFFAOYSA-N 0 0 333.501 4.381 50 0 EIAARN O=C(Cc1ccccc1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000004072150 210112866 /nfs/dbraw/zinc/11/28/66/210112866.db2.gz QWDNRWUTWJZXSP-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN CCCSc1nnc(NC(=O)c2ccc3ccccc3c2)s1 ZINC000004079404 210115019 /nfs/dbraw/zinc/11/50/19/210115019.db2.gz LGRCOHIXZWOLSV-UHFFFAOYSA-N 0 0 329.450 4.446 50 0 EIAARN CCC(CC)C(=O)N(C)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078425 210114891 /nfs/dbraw/zinc/11/48/91/210114891.db2.gz TVAAVFXHQHBRDI-UHFFFAOYSA-N 0 0 347.528 4.405 50 0 EIAARN C[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000046151902 213787306 /nfs/dbraw/zinc/78/73/06/213787306.db2.gz KPJUWFOQXSJFBQ-CYBMUJFWSA-N 0 0 345.395 4.157 50 0 EIAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccco1 ZINC000004077252 210114401 /nfs/dbraw/zinc/11/44/01/210114401.db2.gz ILHCRMLVFFJWCQ-UHFFFAOYSA-N 0 0 345.811 4.118 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000004081424 210114110 /nfs/dbraw/zinc/11/41/10/210114110.db2.gz UITNBJRZYAEYLY-ANWZHMNCSA-N 0 0 344.495 4.386 50 0 biogenic EIAARN Cc1c(C(=O)C(=O)Nc2cc(Cl)ccc2C)c2ccccc2n1C ZINC000004062657 210111536 /nfs/dbraw/zinc/11/15/36/210111536.db2.gz GREDPZQLNJUCDU-UHFFFAOYSA-N 0 0 340.810 4.270 50 0 EIAARN CCOc1cccc2sc(N3CCN(c4ccccc4)CC3)nc21 ZINC000004061311 210110495 /nfs/dbraw/zinc/11/04/95/210110495.db2.gz CCBJLCSGHGKAMH-UHFFFAOYSA-N 0 0 339.464 4.022 50 0 EIAARN CCN(CC)c1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)c(C)c1 ZINC000004062327 210110060 /nfs/dbraw/zinc/11/00/60/210110060.db2.gz LGPDRURHCYNKRZ-UHFFFAOYSA-N 0 0 349.434 4.144 50 0 EIAARN Cc1cc2cc(CNC(=O)Nc3cccc(Cl)c3)ccc2n1C ZINC000004061604 210109847 /nfs/dbraw/zinc/10/98/47/210109847.db2.gz JRCPHPWWKOONND-UHFFFAOYSA-N 0 0 327.815 4.462 50 0 EIAARN Cc1ccc(-c2nnc3c(C(F)(F)F)nc4ccccc4n23)cc1 ZINC000004053034 210109177 /nfs/dbraw/zinc/10/91/77/210109177.db2.gz PDEQZKMFUXKNAX-UHFFFAOYSA-N 0 0 328.297 4.272 50 0 EIAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCc1cccs1 ZINC000046046712 213776702 /nfs/dbraw/zinc/77/67/02/213776702.db2.gz UUXNUJCHUQCPCH-UHFFFAOYSA-N 0 0 332.812 4.295 50 0 EIAARN CCCCN(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)c1ccccc1 ZINC000004035259 210106296 /nfs/dbraw/zinc/10/62/96/210106296.db2.gz QFZLOAGOXQMLCC-UHFFFAOYSA-N 0 0 342.439 4.255 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000004033289 210105108 /nfs/dbraw/zinc/10/51/08/210105108.db2.gz IAUVGDKPUHBXQI-MRXNPFEDSA-N 0 0 333.435 4.194 50 0 EIAARN N=c1scc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000004030177 210104751 /nfs/dbraw/zinc/10/47/51/210104751.db2.gz JWRDGGNQPQANHO-UHFFFAOYSA-N 0 0 331.238 4.448 50 0 EIAARN O=C(NCc1cc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1 ZINC000066089059 215008862 /nfs/dbraw/zinc/00/88/62/215008862.db2.gz OWBOASHTZOCCEE-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN O=C(NCc1cc(-c2cccc(Cl)c2)no1)Nc1ccccc1F ZINC000066089052 215009193 /nfs/dbraw/zinc/00/91/93/215009193.db2.gz UINGWFNHEGVOIP-UHFFFAOYSA-N 0 0 345.761 4.456 50 0 EIAARN CCOC(=O)Cn1c(/C=C/c2ccccc2)nc2cc(C)c(C)cc21 ZINC000004002699 210098445 /nfs/dbraw/zinc/09/84/45/210098445.db2.gz PAFYMXFWSMYBPD-ZHACJKMWSA-N 0 0 334.419 4.387 50 0 EIAARN CCCC(CCC)C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000003911673 210092298 /nfs/dbraw/zinc/09/22/98/210092298.db2.gz JIZKZYZTUZAZMV-UHFFFAOYSA-N 0 0 342.483 4.020 50 0 EIAARN COc1ccc([C@H]2NN=C3c4[nH]c5ccc(C)cc5c4CC[C@H]32)cc1 ZINC000003905312 210090513 /nfs/dbraw/zinc/09/05/13/210090513.db2.gz OEQNJRVAURILHT-QFBILLFUSA-N 0 0 331.419 4.096 50 0 EIAARN COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Cl)cc3)cc21 ZINC000003902769 210088972 /nfs/dbraw/zinc/08/89/72/210088972.db2.gz RAARFAYNKHXDGQ-UHFFFAOYSA-N 0 0 344.750 4.400 50 0 EIAARN CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=N)oc2c1 ZINC000003897513 210087538 /nfs/dbraw/zinc/08/75/38/210087538.db2.gz OPJVECATCLMTEH-UHFFFAOYSA-N 0 0 332.407 4.302 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000003897019 210086545 /nfs/dbraw/zinc/08/65/45/210086545.db2.gz PSUFFXCPQPFDLU-UHFFFAOYSA-N 0 0 329.396 4.135 50 0 EIAARN CCCCN(CCCC)C(=O)CC(=O)N(CCCC)CCCC ZINC000003885944 210084883 /nfs/dbraw/zinc/08/48/83/210084883.db2.gz QTVRIQFMPJRJAK-UHFFFAOYSA-N 0 0 326.525 4.234 50 0 EIAARN CCCCSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 ZINC000003883010 210084192 /nfs/dbraw/zinc/08/41/92/210084192.db2.gz SVBQRMIOTWOYTL-UHFFFAOYSA-N 0 0 343.493 4.199 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000003881408 210083908 /nfs/dbraw/zinc/08/39/08/210083908.db2.gz NCMZQTLCXHGLOK-ZKHIMWLXSA-N 0 0 330.468 4.450 50 0 biogenic,world EIAARN COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003881339 210083553 /nfs/dbraw/zinc/08/35/53/210083553.db2.gz WGYHVQYXJNPQAA-WPWXJNKXSA-N 0 0 332.484 4.099 50 0 in-vitro EIAARN CCc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000003647922 210070334 /nfs/dbraw/zinc/07/03/34/210070334.db2.gz IZFDEJVCMOCMBD-MRXNPFEDSA-N 0 0 326.421 4.195 50 0 EIAARN CCOC(=O)C[C@H](NC(=O)c1ccccc1C)c1ccccc1Cl ZINC000003627307 210069436 /nfs/dbraw/zinc/06/94/36/210069436.db2.gz XGSIMTSKONAKOZ-KRWDZBQOSA-N 0 0 345.826 4.073 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(F)ccc3F)cc2)n1 ZINC000003611319 210065768 /nfs/dbraw/zinc/06/57/68/210065768.db2.gz UAHOZOWKTZEFET-UHFFFAOYSA-N 0 0 327.334 4.020 50 0 EIAARN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000003551888 210053868 /nfs/dbraw/zinc/05/38/68/210053868.db2.gz RJWBWRGQSKPLML-HXUWFJFHSA-N 0 0 347.370 4.257 50 0 EIAARN COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(Cl)c2C)c1 ZINC000003554140 210052929 /nfs/dbraw/zinc/05/29/29/210052929.db2.gz OTXBFOGCHFEKRZ-JXMROGBWSA-N 0 0 331.799 4.318 50 0 EIAARN COc1cc(C(=O)Nc2nccs2)cc(Cl)c1OCC(C)C ZINC000003549629 210052042 /nfs/dbraw/zinc/05/20/42/210052042.db2.gz LMKWKUZUNYZVRZ-UHFFFAOYSA-N 0 0 340.832 4.092 50 0 EIAARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000102558270 219210467 /nfs/dbraw/zinc/21/04/67/219210467.db2.gz JFNNVHXBXRIYSL-SCLBCKFNSA-N 0 0 348.431 4.405 50 0 EIAARN CC[C@H](C)c1ccc(OCCCn2cnc3ccccc3c2=O)cc1 ZINC000003461026 210046857 /nfs/dbraw/zinc/04/68/57/210046857.db2.gz QGIAPDIXIDHOJM-INIZCTEOSA-N 0 0 336.435 4.379 50 0 EIAARN CCOc1ccc2oc(C(=O)NN3[C@H](C)CCC[C@H]3C)c(C)c2c1 ZINC000003451662 210042687 /nfs/dbraw/zinc/04/26/87/210042687.db2.gz QJCLXHCIIUAAAM-CHWSQXEVSA-N 0 0 330.428 4.048 50 0 EIAARN Cc1cccc(C(=O)OCC(=O)Nc2cccc3ccccc32)c1C ZINC000003452066 210044363 /nfs/dbraw/zinc/04/43/63/210044363.db2.gz YIGAXTJIMHQIQA-UHFFFAOYSA-N 0 0 333.387 4.252 50 0 EIAARN c1ccc(-n2nnnc2Oc2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000003438383 210038440 /nfs/dbraw/zinc/03/84/40/210038440.db2.gz GYPBYRFMNPOOHN-UHFFFAOYSA-N 0 0 332.363 4.080 50 0 EIAARN Cc1ccc(C(=O)NC2CCCCCC2)cc1NC(=O)c1ccco1 ZINC000003435725 210038233 /nfs/dbraw/zinc/03/82/33/210038233.db2.gz GGHVEYYBAUYBIC-UHFFFAOYSA-N 0 0 340.423 4.293 50 0 EIAARN O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000066763380 215077628 /nfs/dbraw/zinc/07/76/28/215077628.db2.gz KUBQQBASUVUSBJ-QGZVFWFLSA-N 0 0 347.418 4.147 50 0 EIAARN Cc1ccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)s1 ZINC000003437227 210039327 /nfs/dbraw/zinc/03/93/27/210039327.db2.gz DIONTFFSBKETKZ-UHFFFAOYSA-N 0 0 328.389 4.137 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 ZINC000066803272 215080427 /nfs/dbraw/zinc/08/04/27/215080427.db2.gz DTRAQQHLQXWSAO-UHFFFAOYSA-N 0 0 346.434 4.151 50 0 EIAARN CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)cc1 ZINC000102673184 219221377 /nfs/dbraw/zinc/22/13/77/219221377.db2.gz RDBDNFODBLHUAL-MRXNPFEDSA-N 0 0 340.452 4.234 50 0 EIAARN CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003429036 210036927 /nfs/dbraw/zinc/03/69/27/210036927.db2.gz QZVSLQMICJOBNL-CQSZACIVSA-N 0 0 345.826 4.268 50 0 EIAARN Cc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1C ZINC000003413278 210031923 /nfs/dbraw/zinc/03/19/23/210031923.db2.gz IYTWAKMNGAEJJZ-UHFFFAOYSA-N 0 0 333.229 4.117 50 0 EIAARN Cc1ccc(NCC(=O)Nc2ccc(C)cc2Br)c(C)c1 ZINC000003410909 210031558 /nfs/dbraw/zinc/03/15/58/210031558.db2.gz DWGOCRUHHNUMTA-UHFFFAOYSA-N 0 0 347.256 4.425 50 0 EIAARN Cc1cccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)n2C)c1 ZINC000003400285 210028265 /nfs/dbraw/zinc/02/82/65/210028265.db2.gz RKZLKKLPAMYDCC-CQSZACIVSA-N 0 0 337.448 4.154 50 0 EIAARN CN(Cc1cccs1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003398759 210028515 /nfs/dbraw/zinc/02/85/15/210028515.db2.gz BYTWZQMFIGRUHZ-UHFFFAOYSA-N 0 0 335.428 4.251 50 0 EIAARN O=C(CSc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2 ZINC000003382567 210023436 /nfs/dbraw/zinc/02/34/36/210023436.db2.gz SYCRKAKUILJOHY-UHFFFAOYSA-N 0 0 337.400 4.299 50 0 EIAARN Cc1cccc2c(C)cc(SCC(=O)N3CCCC[C@@H]3C)nc12 ZINC000003381855 210022747 /nfs/dbraw/zinc/02/27/47/210022747.db2.gz NLHVGPCZYZXPMN-HNNXBMFYSA-N 0 0 328.481 4.345 50 0 EIAARN c1cc2c(ncnc2OCc2csc(-c3ccccc3)n2)s1 ZINC000003381435 210022655 /nfs/dbraw/zinc/02/26/55/210022655.db2.gz ASAYIUPPSRGUCE-UHFFFAOYSA-N 0 0 325.418 4.394 50 0 EIAARN Cc1ccsc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl ZINC000003384328 210023924 /nfs/dbraw/zinc/02/39/24/210023924.db2.gz NKHMZXNCMHBSMZ-UHFFFAOYSA-N 0 0 344.219 4.159 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1c(F)cccc1F ZINC000003382488 210024091 /nfs/dbraw/zinc/02/40/91/210024091.db2.gz XJMPBTRLGZQCRQ-UHFFFAOYSA-N 0 0 332.133 4.289 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000003359825 210017765 /nfs/dbraw/zinc/01/77/65/210017765.db2.gz DFIFNYVDELTLFT-HXUWFJFHSA-N 0 0 345.446 4.297 50 0 EIAARN O=C(NCc1ccccc1)c1ccccc1OCCOc1ccccc1 ZINC000003357940 210016303 /nfs/dbraw/zinc/01/63/03/210016303.db2.gz VNAQHSPWWBSAQM-UHFFFAOYSA-N 0 0 347.414 4.074 50 0 EIAARN CCc1ccc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000003348412 210015346 /nfs/dbraw/zinc/01/53/46/210015346.db2.gz WQGJYOOVBJPJRB-UHFFFAOYSA-N 0 0 349.430 4.479 50 0 EIAARN CN(Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccc1F ZINC000003342584 210012836 /nfs/dbraw/zinc/01/28/36/210012836.db2.gz GJLPEWBCAXHPGQ-UHFFFAOYSA-N 0 0 331.778 4.161 50 0 EIAARN O=C(CSc1ncnc2sccc21)c1cc2ccccc2o1 ZINC000003348098 210014227 /nfs/dbraw/zinc/01/42/27/210014227.db2.gz QBOFGEKLIIMGTI-UHFFFAOYSA-N 0 0 326.402 4.413 50 0 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O=C1C[C@H](c2cccc(F)c2)c2ncn(-c3cc(F)cc(F)c3)c2N1 ZINC000040268703 213287373 /nfs/dbraw/zinc/28/73/73/213287373.db2.gz IGENTQNSBJADGO-OAHLLOKOSA-N 0 0 343.308 4.413 50 0 EIAARN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000001660124 209777273 /nfs/dbraw/zinc/77/72/73/209777273.db2.gz NWHZCAHINMSRQA-VJOPYQGCSA-N 0 0 327.383 4.135 50 0 EIAARN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC1CCCC1 ZINC000040128533 213270257 /nfs/dbraw/zinc/27/02/57/213270257.db2.gz URBYMGQVONVCQZ-UHFFFAOYSA-N 0 0 345.874 4.052 50 0 EIAARN COCCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000040128982 213270293 /nfs/dbraw/zinc/27/02/93/213270293.db2.gz JMWYXZIRQJMHFD-UHFFFAOYSA-N 0 0 326.421 4.328 50 0 EIAARN C[C@@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)c1ccncc1 ZINC000040130205 213270375 /nfs/dbraw/zinc/27/03/75/213270375.db2.gz HJAWOWNASCGDTN-HZPDHXFCSA-N 0 0 347.418 4.108 50 0 EIAARN Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)oc2c1C(=O)CCC2 ZINC000040131642 213270048 /nfs/dbraw/zinc/27/00/48/213270048.db2.gz 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CCc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)[nH]n2)cc1 ZINC000038704336 213221978 /nfs/dbraw/zinc/22/19/78/213221978.db2.gz JQABIOVUTCPVAY-UHFFFAOYSA-N 0 0 335.407 4.214 50 0 EIAARN COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000001018936 209702026 /nfs/dbraw/zinc/70/20/26/209702026.db2.gz MNUIOKMATAXWBR-BOPFTXTBSA-N 0 0 339.416 4.240 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000000859988 209692258 /nfs/dbraw/zinc/69/22/58/209692258.db2.gz FQMYNMQZTWONHE-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN O=C(Nc1cccs1)Nc1ccccc1NC(=O)c1ccco1 ZINC000038678856 213220186 /nfs/dbraw/zinc/22/01/86/213220186.db2.gz UYSKABSIUFORLO-UHFFFAOYSA-N 0 0 327.365 4.237 50 0 EIAARN O=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1 ZINC000000819399 209690402 /nfs/dbraw/zinc/69/04/02/209690402.db2.gz DXJZSITZSSFXCA-UHFFFAOYSA-N 0 0 333.800 4.063 50 0 EIAARN COc1ccc(NC(=O)CSc2ccc(F)cc2)cc1Cl ZINC000000612830 209677084 /nfs/dbraw/zinc/67/70/84/209677084.db2.gz BWZAAGQHNKOWBO-UHFFFAOYSA-N 0 0 325.792 4.219 50 0 EIAARN O=C(Nc1nnc(CCC2CCCCC2)s1)c1cccc(F)c1 ZINC000000618311 209682312 /nfs/dbraw/zinc/68/23/12/209682312.db2.gz MFBPUMFYUACVIS-UHFFFAOYSA-N 0 0 333.432 4.442 50 0 EIAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(CC)cc3)Nc3ncnn32)cc1 ZINC000000616870 209681470 /nfs/dbraw/zinc/68/14/70/209681470.db2.gz FVYQPYUIAUUJQU-PMACEKPBSA-N 0 0 348.450 4.386 50 0 EIAARN CCCn1cc(-c2nc(-c3cccc(F)c3)no2)c(=O)c2ccccc21 ZINC000038487797 213210380 /nfs/dbraw/zinc/21/03/80/213210380.db2.gz DOZCCIJMFUIPHC-UHFFFAOYSA-N 0 0 349.365 4.268 50 0 EIAARN CCN(CC)C(=O)C[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1 ZINC000000554336 209661350 /nfs/dbraw/zinc/66/13/50/209661350.db2.gz VIVYUPKFFHUSEU-TZIWHRDSSA-N 0 0 331.500 4.326 50 0 EIAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)(C)C)c3ccccc3)cc2c1 ZINC000000537608 209655787 /nfs/dbraw/zinc/65/57/87/209655787.db2.gz ZPSSAMGDTMAZJE-UHFFFAOYSA-N 0 0 348.446 4.416 50 0 EIAARN O=c1oc2ccc(Cl)cc2n1Cc1ccccc1Br ZINC000000538844 209655470 /nfs/dbraw/zinc/65/54/70/209655470.db2.gz BLUAQHFERGDQRD-UHFFFAOYSA-N 0 0 338.588 4.059 50 0 EIAARN COc1ccc(-c2c3c(cc(C)[n+]2[O-])oc2ccc(OC)cc23)cc1 ZINC000000537071 209655485 /nfs/dbraw/zinc/65/54/85/209655485.db2.gz DIPRAFIKGBYDDD-UHFFFAOYSA-N 0 0 335.359 4.212 50 0 EIAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000000534580 209653722 /nfs/dbraw/zinc/65/37/22/209653722.db2.gz JJGJNAFYZKTREZ-INIZCTEOSA-N 0 0 333.435 4.275 50 0 EIAARN Cc1ccc([C@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000000524815 209645825 /nfs/dbraw/zinc/64/58/25/209645825.db2.gz SCPISPPQCXWGRP-NTKDMRAZSA-N 0 0 347.395 4.081 50 0 EIAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc2ccccc21 ZINC000000507495 209639813 /nfs/dbraw/zinc/63/98/13/209639813.db2.gz FDGXCNNEAQNAGP-LJQANCHMSA-N 0 0 335.359 4.138 50 0 EIAARN Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000037866304 213171631 /nfs/dbraw/zinc/17/16/31/213171631.db2.gz HREVLIWZBBVYHV-UHFFFAOYSA-N 0 0 349.825 4.365 50 0 EIAARN CCN(C)C(=O)c1cc2sc(C)cc2n1Cc1ccccc1C ZINC000037587827 213160213 /nfs/dbraw/zinc/16/02/13/213160213.db2.gz LSRKMIRFTYZQAF-UHFFFAOYSA-N 0 0 326.465 4.460 50 0 EIAARN CCOc1ccc2c(c1)oc(C)c(Oc1ccccc1OC)c2=O ZINC000000490927 209633822 /nfs/dbraw/zinc/63/38/22/209633822.db2.gz HTPBVWUJELYUFS-UHFFFAOYSA-N 0 0 326.348 4.301 50 0 biogenic EIAARN O=C(Cc1ccc(NCc2ccccc2)cc1)NCc1ccccc1 ZINC000037554687 213156874 /nfs/dbraw/zinc/15/68/74/213156874.db2.gz GYFUMBIJNAYWGO-UHFFFAOYSA-N 0 0 330.431 4.158 50 0 EIAARN O=C(Nc1ccc(O)cc1)c1cc(Br)ccc1Cl ZINC000037247689 213136042 /nfs/dbraw/zinc/13/60/42/213136042.db2.gz SZKBITDXAXSJPX-UHFFFAOYSA-N 0 0 326.577 4.060 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@H]1c1ccccc1 ZINC000000475555 209624662 /nfs/dbraw/zinc/62/46/62/209624662.db2.gz HCRNEJDDKQWLHQ-STQMWFEESA-N 0 0 334.188 4.330 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000000479333 209626644 /nfs/dbraw/zinc/62/66/44/209626644.db2.gz BZIWENTZTLBJII-GFCCVEGCSA-N 0 0 330.815 4.121 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 ZINC000000470358 209620497 /nfs/dbraw/zinc/62/04/97/209620497.db2.gz YICCKAFAKNNLNB-CQSZACIVSA-N 0 0 343.448 4.291 50 0 EIAARN CC(C)(C)c1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000036760036 213117783 /nfs/dbraw/zinc/11/77/83/213117783.db2.gz XAZFLYJNDNMXEF-GOSISDBHSA-N 0 0 340.398 4.255 50 0 EIAARN O=c1cc(-c2ccccc2F)nc(-c2ccc(Br)cc2)o1 ZINC000000457310 209612112 /nfs/dbraw/zinc/61/21/12/209612112.db2.gz WMINFNTZPUKJEF-UHFFFAOYSA-N 0 0 346.155 4.270 50 0 EIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c1 ZINC000036620303 213104190 /nfs/dbraw/zinc/10/41/90/213104190.db2.gz IIEGYUOUBLKTMY-SFHVURJKSA-N 0 0 340.423 4.381 50 0 EIAARN Cc1cccc(OCCN(C)C(=O)c2cc3ccc(F)cc3s2)c1 ZINC000036398086 213098638 /nfs/dbraw/zinc/09/86/38/213098638.db2.gz FKRCDXWATUMOSY-UHFFFAOYSA-N 0 0 343.423 4.500 50 0 EIAARN Cc1ccc([C@H](NC(=O)c2cc(=O)c3cc(C)ccc3o2)C2CC2)cc1 ZINC000036437864 213097957 /nfs/dbraw/zinc/09/79/57/213097957.db2.gz LYYWAIRWWBAGOE-NRFANRHFSA-N 0 0 347.414 4.291 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000036396274 213097214 /nfs/dbraw/zinc/09/72/14/213097214.db2.gz KEDBRAGCGPOSJY-HLLBOEOZSA-N 0 0 328.456 4.121 50 0 EIAARN O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(Cl)ccc1F ZINC000036394519 213096997 /nfs/dbraw/zinc/09/69/97/213096997.db2.gz XYPNGSFGELVFIZ-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN c1coc(CN(Cc2ccco2)Cc2noc(-c3ccsc3)n2)c1 ZINC000036396140 213096474 /nfs/dbraw/zinc/09/64/74/213096474.db2.gz CEQPJNVTBBKXGH-UHFFFAOYSA-N 0 0 341.392 4.187 50 0 EIAARN C[C@@H](NC(=O)CCc1cccs1)c1cccc(OC(F)F)c1 ZINC000036392769 213096135 /nfs/dbraw/zinc/09/61/35/213096135.db2.gz VULWBPKJVIAYHL-LLVKDONJSA-N 0 0 325.380 4.160 50 0 EIAARN Nc1nc2c(s1)[C@H](c1ccccc1OC1CCCC1)CC(=O)N2 ZINC000036366035 213091156 /nfs/dbraw/zinc/09/11/56/213091156.db2.gz QLPWADIVAWCMJQ-LBPRGKRZSA-N 0 0 329.425 4.170 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)cc1 ZINC000036366592 213091178 /nfs/dbraw/zinc/09/11/78/213091178.db2.gz OSHNSWZLCHPYPU-QGZVFWFLSA-N 0 0 349.390 4.013 50 0 EIAARN COc1ccccc1[C@H]1CC(=O)Nc2nc(N3CCCCC3)sc21 ZINC000036360679 213090907 /nfs/dbraw/zinc/09/09/07/213090907.db2.gz HWYBOXOCNVDFPU-CYBMUJFWSA-N 0 0 343.452 4.266 50 0 EIAARN O=C(Nc1ccccc1)N1CCC[C@@H](OCc2cc(F)ccc2F)C1 ZINC000036315901 213084643 /nfs/dbraw/zinc/08/46/43/213084643.db2.gz CLIIRNKYNQGJSV-QGZVFWFLSA-N 0 0 346.377 4.178 50 0 EIAARN O=C1C[C@@H](c2ccc(O)cc2)c2ncn(-c3ccc(Cl)cc3)c2N1 ZINC000036358461 213088558 /nfs/dbraw/zinc/08/85/58/213088558.db2.gz HRXOCJJGOOOQCA-HNNXBMFYSA-N 0 0 339.782 4.355 50 0 EIAARN O=C1C[C@H](c2cccc(F)c2)c2ncn(-c3ccccc3F)c2N1 ZINC000036354801 213088376 /nfs/dbraw/zinc/08/83/76/213088376.db2.gz VUHXXNQUXOTXQK-CYBMUJFWSA-N 0 0 325.318 4.274 50 0 EIAARN O=C1C[C@@H](c2ccc(F)c(F)c2)c2ncn(-c3ccccc3)c2N1 ZINC000036352562 213088017 /nfs/dbraw/zinc/08/80/17/213088017.db2.gz NWUHKFPNPPQVRR-ZDUSSCGKSA-N 0 0 325.318 4.274 50 0 EIAARN Cc1ccccc1C(=O)N1CCC[C@@H](OCc2cc(F)ccc2F)C1 ZINC000036315521 213084276 /nfs/dbraw/zinc/08/42/76/213084276.db2.gz WHGHMNRPPGUVCH-QGZVFWFLSA-N 0 0 345.389 4.095 50 0 EIAARN c1sc2ncnc(NCCc3ccccn3)c2c1-c1ccccc1 ZINC000036264045 213079550 /nfs/dbraw/zinc/07/95/50/213079550.db2.gz VNSDUASRCJVCQV-UHFFFAOYSA-N 0 0 332.432 4.408 50 0 EIAARN COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000000442899 209602737 /nfs/dbraw/zinc/60/27/37/209602737.db2.gz FYCQIACPSSDIPH-UHFFFAOYSA-N 0 0 347.414 4.474 50 0 EIAARN CCCN(Cc1csc(COc2ccccc2C)n1)C(=O)C1CC1 ZINC000036114890 213070500 /nfs/dbraw/zinc/07/05/00/213070500.db2.gz NRBHHUKSQIAPNI-UHFFFAOYSA-N 0 0 344.480 4.179 50 0 EIAARN CC(C)n1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O ZINC000070666451 215703167 /nfs/dbraw/zinc/70/31/67/215703167.db2.gz ARVKHMYKAREDEB-UHFFFAOYSA-N 0 0 345.402 4.316 50 0 biogenic EIAARN CSc1c(NC(=O)c2c(C)noc2C)cccc1C(F)(F)F ZINC000036047236 213057558 /nfs/dbraw/zinc/05/75/58/213057558.db2.gz HYXNMYKQJHFBHZ-UHFFFAOYSA-N 0 0 330.331 4.284 50 0 EIAARN Cc1ccc(-c2cc(CN(C)C(=O)c3cccs3)no2)c(C)c1 ZINC000036012395 213055753 /nfs/dbraw/zinc/05/57/53/213055753.db2.gz PFSPKAKCMAWZQO-UHFFFAOYSA-N 0 0 326.421 4.292 50 0 EIAARN C/C=C\Cn1c(C(=O)NCc2ccco2)cc2c1cccc2OCC ZINC000035927897 213051890 /nfs/dbraw/zinc/05/18/90/213051890.db2.gz GIVIRVZRSVUCEK-HYXAFXHYSA-N 0 0 338.407 4.139 50 0 EIAARN C(=C\c1ccccc1)\CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000035684707 213045919 /nfs/dbraw/zinc/04/59/19/213045919.db2.gz QZCBMJUULZZUBT-DAXSKMNVSA-N 0 0 338.388 4.271 50 0 EIAARN Cc1ccc(OCc2nnc3sc(-c4ccccc4C)nn23)cc1 ZINC000035655367 213043718 /nfs/dbraw/zinc/04/37/18/213043718.db2.gz OQJYKCAFABNHNY-UHFFFAOYSA-N 0 0 336.420 4.049 50 0 EIAARN CCCCOc1ccccc1C(=O)Nc1cccc2nsnc21 ZINC000035672817 213044891 /nfs/dbraw/zinc/04/48/91/213044891.db2.gz PJBWMPNWJGQSSY-UHFFFAOYSA-N 0 0 327.409 4.123 50 0 EIAARN CCc1c(C)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C(N)=O ZINC000000433770 209598870 /nfs/dbraw/zinc/59/88/70/209598870.db2.gz HQBVASRUGGGOJO-UHFFFAOYSA-N 0 0 344.480 4.268 50 0 EIAARN CCOc1ccc(CN2CCC[C@@H]2c2cc(C)no2)cc1OCC ZINC000035511239 213034961 /nfs/dbraw/zinc/03/49/61/213034961.db2.gz FENVMFKDBXXJJT-MRXNPFEDSA-N 0 0 330.428 4.118 50 0 EIAARN COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000000434393 209598265 /nfs/dbraw/zinc/59/82/65/209598265.db2.gz CEJBKPOBDUSJOX-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1ccc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)cc1 ZINC000035534886 213036160 /nfs/dbraw/zinc/03/61/60/213036160.db2.gz BYURDYYUSAIIJL-UHFFFAOYSA-N 0 0 335.432 4.254 50 0 EIAARN C=Cc1ccc(COC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000035479009 213031241 /nfs/dbraw/zinc/03/12/41/213031241.db2.gz QJTWUIIWOATJMW-UHFFFAOYSA-N 0 0 347.418 4.193 50 0 EIAARN CC[C@@H](C)NC(=O)c1nc2ccccc2c(Nc2cccc(C)c2)n1 ZINC000035429643 213026638 /nfs/dbraw/zinc/02/66/38/213026638.db2.gz HPQNJYJOUWPPQM-CQSZACIVSA-N 0 0 334.423 4.210 50 0 EIAARN CCCC(=O)N1CCC2(CC1)Nc1ccc(C)c(C)c1-n1cccc12 ZINC000035399572 213026115 /nfs/dbraw/zinc/02/61/15/213026115.db2.gz VQRAUOCJXHLUAU-UHFFFAOYSA-N 0 0 337.467 4.137 50 0 biogenic EIAARN CC1(C)Cc2nc(NC(=O)C=Cc3cccs3)sc2C(=O)C1 ZINC000035394050 213024943 /nfs/dbraw/zinc/02/49/43/213024943.db2.gz HRSZDVFSNITSBI-WAYWQWQTSA-N 0 0 332.450 4.012 50 0 EIAARN O=C1C[C@@H](c2cccc(Cl)c2)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000035324440 213021954 /nfs/dbraw/zinc/02/19/54/213021954.db2.gz SDLCBZPCJPMFSM-HNNXBMFYSA-N 0 0 341.773 4.139 50 0 EIAARN COc1cccc(NC(=S)N(C)Cc2cn(C)c3ccccc23)c1 ZINC000000429199 209594964 /nfs/dbraw/zinc/59/49/64/209594964.db2.gz AJRKOAGGFHHQJK-UHFFFAOYSA-N 0 0 339.464 4.016 50 0 EIAARN COc1ccc2cc3cc(C(=O)Nc4ccccc4OC)oc3nc2c1 ZINC000000429116 209594746 /nfs/dbraw/zinc/59/47/46/209594746.db2.gz YSOKNODCVGAVDU-UHFFFAOYSA-N 0 0 348.358 4.251 50 0 EIAARN Cc1[nH]nc(-c2ccc(F)c(F)c2)c1NC(=O)c1c(F)cccc1F ZINC000034795653 212989122 /nfs/dbraw/zinc/98/91/22/212989122.db2.gz FEFFSBGZCLLOCU-UHFFFAOYSA-N 0 0 349.287 4.194 50 0 EIAARN Cc1nc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)c(C)o1 ZINC000071681432 215794041 /nfs/dbraw/zinc/79/40/41/215794041.db2.gz CQSOJJVXIISYTK-CQSZACIVSA-N 0 0 348.393 4.055 50 0 EIAARN Cc1ccc2nc(NCC(C)C)n3c(-c4ccc(F)cc4)nnc3c2c1 ZINC000034699775 212983401 /nfs/dbraw/zinc/98/34/01/212983401.db2.gz YKRDPNAIVWFHTC-UHFFFAOYSA-N 0 0 349.413 4.460 50 0 EIAARN Cc1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)s1 ZINC000071755001 215811626 /nfs/dbraw/zinc/81/16/26/215811626.db2.gz WDQIFMWLXHGEIG-HNNXBMFYSA-N 0 0 332.444 4.076 50 0 EIAARN CCc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1 ZINC000000427351 209592432 /nfs/dbraw/zinc/59/24/32/209592432.db2.gz LJEDLUWQSJDZLM-UHFFFAOYSA-N 0 0 337.448 4.166 50 0 EIAARN Cc1ccnc([C@@H](Nc2nccc(-c3ccc(C)nc3C)n2)C2CC2)c1 ZINC000071759683 215815215 /nfs/dbraw/zinc/81/52/15/215815215.db2.gz ICQREOXKRUJJEH-FQEVSTJZSA-N 0 0 345.450 4.422 50 0 EIAARN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2ccccc2)cc1 ZINC000071816083 215844714 /nfs/dbraw/zinc/84/47/14/215844714.db2.gz KPGTYAZQQNMLEN-SFHVURJKSA-N 0 0 340.423 4.200 50 0 EIAARN Cc1cccc(-c2nc3ccccn3c2NC(=O)NCc2ccco2)c1 ZINC000033312690 212921525 /nfs/dbraw/zinc/92/15/25/212921525.db2.gz JVYSNFIRJPQDGC-UHFFFAOYSA-N 0 0 346.390 4.224 50 0 EIAARN Cc1ccccc1C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000033255908 212910899 /nfs/dbraw/zinc/91/08/99/212910899.db2.gz ZTIAPWMRXRXUET-UHFFFAOYSA-N 0 0 334.444 4.317 50 0 EIAARN O=C(Nc1ccccn1)c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000033254388 212910555 /nfs/dbraw/zinc/91/05/55/212910555.db2.gz BSOIUUOXQYFZDA-UHFFFAOYSA-N 0 0 334.379 4.042 50 0 EIAARN O=c1oc2ccccc2cc1-c1cn(-c2ccc(F)cc2)c(=S)[nH]1 ZINC000000424425 209587645 /nfs/dbraw/zinc/58/76/45/209587645.db2.gz JAWVHJRYYKYURS-UHFFFAOYSA-N 0 0 338.363 4.447 50 0 EIAARN CCn1cc(C2CCN(C(=O)Nc3ccsc3Cl)CC2)cn1 ZINC000189306048 236825212 /nfs/dbraw/zinc/82/52/12/236825212.db2.gz CZLNIUCGHWNPBD-UHFFFAOYSA-N 0 0 338.864 4.029 50 0 EIAARN Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)Cc1cnn(C)c1 ZINC000071854036 215882705 /nfs/dbraw/zinc/88/27/05/215882705.db2.gz UBEQOISHMSFGLZ-UHFFFAOYSA-N 0 0 346.500 4.283 50 0 EIAARN O=C(NC1CCCCCC1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000032996566 212886272 /nfs/dbraw/zinc/88/62/72/212886272.db2.gz RRGDXBQHOIHVSO-UHFFFAOYSA-N 0 0 339.439 4.457 50 0 EIAARN COc1ccc(C(=O)[C@@H](C)OC(=O)c2csc3c2CCCC3)cc1 ZINC000032945117 212879065 /nfs/dbraw/zinc/87/90/65/212879065.db2.gz GPSXVXANDPAXFP-GFCCVEGCSA-N 0 0 344.432 4.064 50 0 EIAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1cn2ccccc2n1 ZINC000032901081 212864169 /nfs/dbraw/zinc/86/41/69/212864169.db2.gz PFYDCGNARKTYPL-UHFFFAOYSA-N 0 0 344.399 4.350 50 0 EIAARN Cc1nc(Cc2nc(C)c(C(=O)Nc3ccccc3)s2)cs1 ZINC000032825907 212851209 /nfs/dbraw/zinc/85/12/09/212851209.db2.gz JJXPHQHQRHFMLS-UHFFFAOYSA-N 0 0 329.450 4.060 50 0 EIAARN c1ccc(-c2nnc(CSc3nnc(-c4ccccc4)o3)o2)cc1 ZINC000000421841 209583107 /nfs/dbraw/zinc/58/31/07/209583107.db2.gz TZVOKXFBXUYQEE-UHFFFAOYSA-N 0 0 336.376 4.079 50 0 EIAARN COc1ccc(CCC(=O)N(Cc2ccco2)c2ccccc2)cc1 ZINC000032837022 212853803 /nfs/dbraw/zinc/85/38/03/212853803.db2.gz JHWHQZNKFRDTKQ-UHFFFAOYSA-N 0 0 335.403 4.454 50 0 EIAARN CC(=O)c1cccc(SCC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000071916352 215963528 /nfs/dbraw/zinc/96/35/28/215963528.db2.gz ORIGTRZAYGDLJI-MRXNPFEDSA-N 0 0 345.489 4.407 50 0 EIAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCc1cccs1 ZINC000032477957 212804559 /nfs/dbraw/zinc/80/45/59/212804559.db2.gz QPAFQNPCFLUQSF-JTQLQIEISA-N 0 0 344.263 4.181 50 0 EIAARN CCCCCCOC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O ZINC000072099095 216008549 /nfs/dbraw/zinc/00/85/49/216008549.db2.gz TYEFUKSNTLMNBV-UHFFFAOYSA-N 0 0 345.439 4.376 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1N1CCCC1=O ZINC000072116017 216011373 /nfs/dbraw/zinc/01/13/73/216011373.db2.gz SCPNJQUICURYEG-UHFFFAOYSA-N 0 0 346.789 4.167 50 0 EIAARN O=C(Nc1ccc(O)cc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000032072124 212784429 /nfs/dbraw/zinc/78/44/29/212784429.db2.gz HNIYLVPNVHOHGV-UHFFFAOYSA-N 0 0 341.370 4.255 50 0 EIAARN CCNC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072144308 216030395 /nfs/dbraw/zinc/03/03/95/216030395.db2.gz DFDHIZUHLYCZBQ-ZDUSSCGKSA-N 0 0 328.378 4.080 50 0 EIAARN CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000031903453 212756815 /nfs/dbraw/zinc/75/68/15/212756815.db2.gz WYJDONXUEUODGG-GOSISDBHSA-N 0 0 347.462 4.201 50 0 EIAARN Cc1ccsc1CCn1ccnc1-c1cnc(-c2ccccn2)nc1 ZINC000072156712 216045858 /nfs/dbraw/zinc/04/58/58/216045858.db2.gz VSCWHCVCUVSIRJ-UHFFFAOYSA-N 0 0 347.447 4.015 50 0 EIAARN CC(C)c1nc2oc(C(=O)N3CCCCC3)c(N)c2c2c1CCCC2 ZINC000031819918 212750116 /nfs/dbraw/zinc/75/01/16/212750116.db2.gz ISOUMIFRJRETLK-UHFFFAOYSA-N 0 0 341.455 4.038 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(COC)cc1)c1ccccc1OC(F)F ZINC000031756078 212746613 /nfs/dbraw/zinc/74/66/13/212746613.db2.gz RAHWQBUOFFPLRD-MRXNPFEDSA-N 0 0 349.377 4.316 50 0 EIAARN C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)CC1CCCCC1 ZINC000072230487 216071264 /nfs/dbraw/zinc/07/12/64/216071264.db2.gz WWTIMVCTVRTDBW-CYBMUJFWSA-N 0 0 329.893 4.243 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)NCc3nc4ccccc4n3C)cc2)o1 ZINC000072243332 216082136 /nfs/dbraw/zinc/08/21/36/216082136.db2.gz HGOLZBSARKMEPW-UHFFFAOYSA-N 0 0 345.402 4.072 50 0 EIAARN Cc1nc([C@H](C)NC(=O)N(Cc2ccc(F)cc2)C2CC2)cs1 ZINC000072271618 216094579 /nfs/dbraw/zinc/09/45/79/216094579.db2.gz URJAHUZAZQSXDT-NSHDSACASA-N 0 0 333.432 4.026 50 0 EIAARN COc1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000408607 209572795 /nfs/dbraw/zinc/57/27/95/209572795.db2.gz UTDBABSQBBPKAJ-UHFFFAOYSA-N 0 0 325.195 4.324 50 0 EIAARN COc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000000401580 209569898 /nfs/dbraw/zinc/56/98/98/209569898.db2.gz ALGFWJDWRJBVIO-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN Cc1c(C(=O)Nc2cccc(Cl)c2C)cnn1-c1ccccc1 ZINC000000385353 209564110 /nfs/dbraw/zinc/56/41/10/209564110.db2.gz VAKWDSPKBZNZPU-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN Cc1ccccc1N[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl ZINC000000365117 209553712 /nfs/dbraw/zinc/55/37/12/209553712.db2.gz AFSDDRLMQMEWPW-CYBMUJFWSA-N 0 0 347.629 4.126 50 0 EIAARN CC(C)(C)CC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000000324743 209537273 /nfs/dbraw/zinc/53/72/73/209537273.db2.gz XWHDEFPNYDHTLW-AWEZNQCLSA-N 0 0 345.418 4.018 50 0 EIAARN C[S@](=O)Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl ZINC000072285689 216117328 /nfs/dbraw/zinc/11/73/28/216117328.db2.gz BAYPVKSPFBZDKZ-OAQYLSRUSA-N 0 0 342.247 4.124 50 0 EIAARN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)n2)c1 ZINC000000297365 209522561 /nfs/dbraw/zinc/52/25/61/209522561.db2.gz BFXMZZONKAUICX-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN O=C(Nc1ccccc1NC(=O)c1cccs1)c1cccs1 ZINC000000290576 209519962 /nfs/dbraw/zinc/51/99/62/209519962.db2.gz RVWRILBOADUFNK-UHFFFAOYSA-N 0 0 328.418 4.314 50 0 EIAARN O=C(COc1ccccc1Cl)Nc1nc(-c2ccccc2)cs1 ZINC000000274062 209514532 /nfs/dbraw/zinc/51/45/32/209514532.db2.gz DFFIAEJQBSABAP-UHFFFAOYSA-N 0 0 344.823 4.481 50 0 EIAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1csc2c1CCCC2 ZINC000029351194 212663158 /nfs/dbraw/zinc/66/31/58/212663158.db2.gz SSHCDWHNZYRNJU-UHFFFAOYSA-N 0 0 329.450 4.331 50 0 EIAARN Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)c2)cs1 ZINC000072297634 216135422 /nfs/dbraw/zinc/13/54/22/216135422.db2.gz LSXSSVCSNNMGSR-UMVBOHGHSA-N 0 0 329.469 4.145 50 0 EIAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1csc(-c2ccco2)n1 ZINC000029596306 212674219 /nfs/dbraw/zinc/67/42/19/212674219.db2.gz STWTVCPYVVQRIG-UHFFFAOYSA-N 0 0 342.405 4.107 50 0 EIAARN O=C(N[C@H]1CCc2ccccc21)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000072328887 216152362 /nfs/dbraw/zinc/15/23/62/216152362.db2.gz UDZFLRPBHJFNHB-KRWDZBQOSA-N 0 0 337.810 4.147 50 0 EIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)ccc1Cl ZINC000072331795 216154815 /nfs/dbraw/zinc/15/48/15/216154815.db2.gz LZFDBQHXVIBXGZ-UHFFFAOYSA-N 0 0 331.696 4.428 50 0 EIAARN COc1cc(Cl)ccc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000072331763 216155149 /nfs/dbraw/zinc/15/51/49/216155149.db2.gz XWHFARCNAZAPHT-UHFFFAOYSA-N 0 0 333.815 4.066 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(F)cc1Cl ZINC000072331737 216155427 /nfs/dbraw/zinc/15/54/27/216155427.db2.gz HKVGVPKYOPTVHY-UHFFFAOYSA-N 0 0 328.170 4.071 50 0 EIAARN CSc1ccc(Cl)c(C(=O)N(C)Cc2nc3ccccc3[nH]2)c1 ZINC000028985592 212648281 /nfs/dbraw/zinc/64/82/81/212648281.db2.gz 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C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 ZINC000028008665 212595012 /nfs/dbraw/zinc/59/50/12/212595012.db2.gz IMWOQAPVTFAGPZ-OAHLLOKOSA-N 0 0 326.465 4.406 50 0 EIAARN Cc1ccc(Oc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nn1 ZINC000072441561 216234842 /nfs/dbraw/zinc/23/48/42/216234842.db2.gz PERNNORAZPFGQQ-HNNXBMFYSA-N 0 0 333.391 4.068 50 0 EIAARN C[C@]12CC3CC(OCCn4ccnc4-c4c[nH]cn4)(C1)C[C@@](C)(C3)C2 ZINC000072473995 216251600 /nfs/dbraw/zinc/25/16/00/216251600.db2.gz CSHIKVFZKHZNFD-LGMBCPCJSA-N 0 0 340.471 4.039 50 0 EIAARN Cc1ccccc1C1(NC(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072476655 216254246 /nfs/dbraw/zinc/25/42/46/216254246.db2.gz ZFMLRUHLKFJSCD-UHFFFAOYSA-N 0 0 337.463 4.118 50 0 EIAARN O=C(CCC(F)(F)F)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072481187 216261969 /nfs/dbraw/zinc/26/19/69/216261969.db2.gz UMPPTTOBQVJART-ZDUSSCGKSA-N 0 0 343.324 4.098 50 0 EIAARN C[C@H]1CCc2ccccc2N1C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000072496032 216263529 /nfs/dbraw/zinc/26/35/29/216263529.db2.gz 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/nfs/dbraw/zinc/44/15/40/212441540.db2.gz RGTSQHUZWZHKOG-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN CCc1ccc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)cc1 ZINC000024510206 212424170 /nfs/dbraw/zinc/42/41/70/212424170.db2.gz SDZZVIOEEZFIRI-UHFFFAOYSA-N 0 0 325.412 4.031 50 0 EIAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(N(C)C)cc1 ZINC000074210486 216463818 /nfs/dbraw/zinc/46/38/18/216463818.db2.gz VNJJTFUBFBPDFY-UHFFFAOYSA-N 0 0 327.409 4.030 50 0 EIAARN Cc1sc2[nH]c([C@H](C)Nc3ccc4c(c3)CCC4)nc(=O)c2c1C ZINC000023865867 212397767 /nfs/dbraw/zinc/39/77/67/212397767.db2.gz NGLAHAUKHLINAC-NSHDSACASA-N 0 0 339.464 4.263 50 0 EIAARN Cc1noc(C)c1CSc1ncccc1C(=O)Oc1ccccc1 ZINC000023819761 212396349 /nfs/dbraw/zinc/39/63/49/212396349.db2.gz DLVJOLAODVFBQD-UHFFFAOYSA-N 0 0 340.404 4.198 50 0 EIAARN Cc1ccn2c(=O)cc(COc3ccccc3-c3ccccc3)nc2c1 ZINC000023659237 212389593 /nfs/dbraw/zinc/38/95/93/212389593.db2.gz UVFHFPPQROTNAY-UHFFFAOYSA-N 0 0 342.398 4.249 50 0 EIAARN Cc1cccc(-n2cc(-c3ccnc(NCc4cccs4)n3)cn2)c1 ZINC000023541174 212381403 /nfs/dbraw/zinc/38/14/03/212381403.db2.gz SIPYTCLLLIRICB-UHFFFAOYSA-N 0 0 347.447 4.311 50 0 EIAARN CCCOCCn1ccc(-c2cccc(-c3nc(C)cnc3C)c2)n1 ZINC000023478156 212378737 /nfs/dbraw/zinc/37/87/37/212378737.db2.gz KEYHRDAYQQNPTF-UHFFFAOYSA-N 0 0 336.439 4.051 50 0 EIAARN CCc1cc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)sc1C ZINC000023383648 212374241 /nfs/dbraw/zinc/37/42/41/212374241.db2.gz QESCDYZJLBRFIN-IBGZPJMESA-N 0 0 343.492 4.205 50 0 EIAARN C[C@@H](Sc1nc2ccc(Cl)cc2o1)C(=O)N1CCCCCC1 ZINC000023277338 212366762 /nfs/dbraw/zinc/36/67/62/212366762.db2.gz FUOVCHHGXYZQHJ-LLVKDONJSA-N 0 0 338.860 4.364 50 0 EIAARN COc1ccc(NC(=O)CCSc2ccc(C)c(C)c2)cc1OC ZINC000023131454 212353222 /nfs/dbraw/zinc/35/32/22/212353222.db2.gz VOFQCPFNJPYFQC-UHFFFAOYSA-N 0 0 345.464 4.442 50 0 EIAARN O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000023115712 212349930 /nfs/dbraw/zinc/34/99/30/212349930.db2.gz KTPRHHIZLDSJIG-QGZVFWFLSA-N 0 0 348.446 4.083 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)c1ccncc1C(F)(F)F 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Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Cc1ccccc1C)CC3 ZINC000022637749 212313972 /nfs/dbraw/zinc/31/39/72/212313972.db2.gz PSNQLMAVQVGPJC-QGZVFWFLSA-N 0 0 332.447 4.001 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc2c1CCCC2 ZINC000022629513 212313765 /nfs/dbraw/zinc/31/37/65/212313765.db2.gz GWENTBQOIKAZOV-UHFFFAOYSA-N 0 0 347.436 4.266 50 0 EIAARN CCCOCCCNC(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022638682 212313497 /nfs/dbraw/zinc/31/34/97/212313497.db2.gz FKRGPMNMPFTVEK-UHFFFAOYSA-N 0 0 338.407 4.041 50 0 EIAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(F)cc1 ZINC000022620544 212312600 /nfs/dbraw/zinc/31/26/00/212312600.db2.gz RZNNJWCHMRNELR-UHFFFAOYSA-N 0 0 335.400 4.440 50 0 EIAARN CCC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000022623681 212312428 /nfs/dbraw/zinc/31/24/28/212312428.db2.gz PFVJIODFSGCADG-YJBOKZPZSA-N 0 0 346.515 4.043 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)OCc2nc3ccccc3s2)c1 ZINC000022525715 212304637 /nfs/dbraw/zinc/30/46/37/212304637.db2.gz JZJSYVDGCWLGJI-ZDUSSCGKSA-N 0 0 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O=C(c1cccc(C[S@@](=O)CC2CCCCC2)c1)N1CCCCC1 ZINC000077478554 216915350 /nfs/dbraw/zinc/91/53/50/216915350.db2.gz HCIMDIUSHNNOJA-XMMPIXPASA-N 0 0 347.524 4.142 50 0 EIAARN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019832125 212073238 /nfs/dbraw/zinc/07/32/38/212073238.db2.gz NDHKFHYKUGVVBA-UHFFFAOYSA-N 0 0 335.278 4.311 50 0 EIAARN Cc1ccccc1-c1noc([C@H]2CCCCN2C(=O)c2ccccc2)n1 ZINC000019810485 212070759 /nfs/dbraw/zinc/07/07/59/212070759.db2.gz DSKODYPJJSZUPC-GOSISDBHSA-N 0 0 347.418 4.412 50 0 EIAARN Cc1nc(-c2cccs2)c(CCC(=O)NCc2ccco2)s1 ZINC000019819622 212071692 /nfs/dbraw/zinc/07/16/92/212071692.db2.gz KYSLKBBECBYCCJ-UHFFFAOYSA-N 0 0 332.450 4.022 50 0 EIAARN Clc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000019781903 212067049 /nfs/dbraw/zinc/06/70/49/212067049.db2.gz JLRLGONHCPAGDX-UHFFFAOYSA-N 0 0 335.278 4.311 50 0 EIAARN CN(C)C(=O)c1ccc(-c2cccc(-c3ccn(CC4CC4)n3)c2)cc1 ZINC000019770690 212063233 /nfs/dbraw/zinc/06/32/33/212063233.db2.gz BEEKJQOFGATFMI-UHFFFAOYSA-N 0 0 345.446 4.329 50 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/nfs/dbraw/zinc/93/82/27/211938227.db2.gz HJOPLBQJTRQPAY-UHFFFAOYSA-N 0 0 340.452 4.309 50 0 EIAARN Cn1nc2c(c1NC(=O)c1sc3ccccc3c1Cl)CCC2 ZINC000016848304 211937503 /nfs/dbraw/zinc/93/75/03/211937503.db2.gz JTAZAVYTYONJHN-UHFFFAOYSA-N 0 0 331.828 4.029 50 0 EIAARN Cc1nc(COc2ccc(N(C)C(=O)OC(C)(C)C)cc2)oc1C ZINC000078904315 217144774 /nfs/dbraw/zinc/14/47/74/217144774.db2.gz OSGOZSHZTDCFJG-UHFFFAOYSA-N 0 0 332.400 4.242 50 0 EIAARN Cc1cnc(-c2cccc(NC(=O)NCc3nc(C)c(C)s3)c2)o1 ZINC000078937378 217152749 /nfs/dbraw/zinc/15/27/49/217152749.db2.gz GGRIRZOOQAJPOY-UHFFFAOYSA-N 0 0 342.424 4.045 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1sc(-c2cccnc2)nc1C ZINC000016651630 211926839 /nfs/dbraw/zinc/92/68/39/211926839.db2.gz BXJRKNWIOPORNC-UHFFFAOYSA-N 0 0 339.420 4.083 50 0 EIAARN CN(CC(=O)Nc1ccccc1Cl)Cc1ccc(F)cc1Cl ZINC000016589491 211916532 /nfs/dbraw/zinc/91/65/32/211916532.db2.gz FCSDBXYRNLUNLR-UHFFFAOYSA-N 0 0 341.213 4.203 50 0 EIAARN CC(C)C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000016498880 211909628 /nfs/dbraw/zinc/90/96/28/211909628.db2.gz RUIYLTREZKTITH-IBGZPJMESA-N 0 0 335.451 4.399 50 0 EIAARN COCc1ccccc1NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000079101377 217192777 /nfs/dbraw/zinc/19/27/77/217192777.db2.gz YBLHHGAWMRFSHL-UHFFFAOYSA-N 0 0 340.301 4.218 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000016109957 211885106 /nfs/dbraw/zinc/88/51/06/211885106.db2.gz JKCAGFYTASBFNB-HOCLYGCPSA-N 0 0 347.867 4.241 50 0 EIAARN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1nc2ccccc2o1 ZINC000079440540 217224697 /nfs/dbraw/zinc/22/46/97/217224697.db2.gz NADCSOYLAAERSG-CYBMUJFWSA-N 0 0 331.416 4.029 50 0 EIAARN COc1ccc(-n2ncc3c2NC(=O)CS[C@@H]3CC(C)C)cc1 ZINC000079478410 217230264 /nfs/dbraw/zinc/23/02/64/217230264.db2.gz LYCHEJHEWQCILD-OAHLLOKOSA-N 0 0 331.441 4.303 50 0 EIAARN O=C(NCCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000015865743 211864653 /nfs/dbraw/zinc/86/46/53/211864653.db2.gz YZLCDYIQPZYSIJ-UHFFFAOYSA-N 0 0 340.766 4.200 50 0 EIAARN Cn1cc(CCC(=O)Nc2ccc(C(F)(F)F)nc2)c2ccccc21 ZINC000079483907 217231763 /nfs/dbraw/zinc/23/17/63/217231763.db2.gz HGIMEXMUMUUPTL-UHFFFAOYSA-N 0 0 347.340 4.163 50 0 EIAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1cccs1 ZINC000079493597 217234608 /nfs/dbraw/zinc/23/46/08/217234608.db2.gz NYYBSMOTRCVYER-UHFFFAOYSA-N 0 0 337.360 4.137 50 0 EIAARN Fc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1 ZINC000015823077 211856346 /nfs/dbraw/zinc/85/63/46/211856346.db2.gz LRRVNQIIXFMMNH-UHFFFAOYSA-N 0 0 349.369 4.403 50 0 EIAARN Cc1csc(NC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)n1 ZINC000015771177 211850236 /nfs/dbraw/zinc/85/02/36/211850236.db2.gz UZIMGZIMOFICHO-HNNXBMFYSA-N 0 0 329.400 4.010 50 0 EIAARN CCOC(=O)c1c(C)oc2nc(C)nc(Nc3ccc(C)c(F)c3)c21 ZINC000015727327 211844671 /nfs/dbraw/zinc/84/46/71/211844671.db2.gz IZZUWBADLDMJCV-UHFFFAOYSA-N 0 0 343.358 4.207 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2cscn2)cc1 ZINC000015662401 211839164 /nfs/dbraw/zinc/83/91/64/211839164.db2.gz ACDHCTMWDANQFP-SUMWQHHRSA-N 0 0 330.453 4.031 50 0 EIAARN O=C(OCCOc1cccc(Cl)c1)c1ccc2ccccc2n1 ZINC000015275836 211812330 /nfs/dbraw/zinc/81/23/30/211812330.db2.gz OBHNWZZNVGGDTF-UHFFFAOYSA-N 0 0 327.767 4.124 50 0 EIAARN CCc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080345070 217299434 /nfs/dbraw/zinc/29/94/34/217299434.db2.gz WLMCEWHBFWKOAP-WDEREUQCSA-N 0 0 342.251 4.150 50 0 EIAARN COc1cccc(CC[C@@H]2CCCN(C(=O)c3ccoc3C)C2)c1 ZINC000015076249 211799015 /nfs/dbraw/zinc/79/90/15/211799015.db2.gz DJIKNBONJIQDPP-KRWDZBQOSA-N 0 0 327.424 4.082 50 0 EIAARN Cc1csc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)n1 ZINC000015007197 211786167 /nfs/dbraw/zinc/78/61/67/211786167.db2.gz DTYPJWJIKLMDID-UHFFFAOYSA-N 0 0 343.477 4.373 50 0 EIAARN Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000081000272 217348521 /nfs/dbraw/zinc/34/85/21/217348521.db2.gz OFCGXLRXCRPVCZ-DLBZAZTESA-N 0 0 348.450 4.000 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1csc(C)n1 ZINC000014771816 211762495 /nfs/dbraw/zinc/76/24/95/211762495.db2.gz SBTAPCYDZSGPMJ-VQHVLOKHSA-N 0 0 330.453 4.410 50 0 EIAARN CCCOc1ccccc1C(=O)Nc1cccc(Br)c1 ZINC000014553028 211743783 /nfs/dbraw/zinc/74/37/83/211743783.db2.gz LNJSLEAAWFSQGF-UHFFFAOYSA-N 0 0 334.213 4.490 50 0 EIAARN Cc1ccc2c(c1)c(C(=O)N1CCC[C@@H](c3ccccc3C)C1)nn2C ZINC000082098777 217465482 /nfs/dbraw/zinc/46/54/82/217465482.db2.gz BNZPLGZFOAHDNA-QGZVFWFLSA-N 0 0 347.462 4.210 50 0 EIAARN COc1ccc(CNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000014181746 211701306 /nfs/dbraw/zinc/70/13/06/211701306.db2.gz AGIMNNNYPQSJQB-OAHLLOKOSA-N 0 0 349.430 4.277 50 0 EIAARN O=C(NCc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1 ZINC000014166567 211697537 /nfs/dbraw/zinc/69/75/37/211697537.db2.gz RIRVUKOAUCBVGX-UHFFFAOYSA-N 0 0 327.384 4.271 50 0 EIAARN C[C@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000014134532 211688298 /nfs/dbraw/zinc/68/82/98/211688298.db2.gz BFTPNYODMLLLQA-GHMZBOCLSA-N 0 0 346.477 4.014 50 0 EIAARN CCc1nnc(NC(=O)CSc2c(Cl)cccc2Cl)s1 ZINC000014114122 211683626 /nfs/dbraw/zinc/68/36/26/211683626.db2.gz WYHAWQPEWQOTCD-UHFFFAOYSA-N 0 0 348.280 4.138 50 0 EIAARN Cc1nc(CN(C)Cc2nccs2)oc1-c1ccc(Cl)cc1 ZINC000084061335 217571326 /nfs/dbraw/zinc/57/13/26/217571326.db2.gz HEBFTYZYPOOIFC-UHFFFAOYSA-N 0 0 333.844 4.392 50 0 EIAARN Cc1cc(-c2csc(NC(=O)c3cccc(N(C)C)c3)n2)c(C)o1 ZINC000084081701 217573680 /nfs/dbraw/zinc/57/36/80/217573680.db2.gz BIARLASMBRKHMT-UHFFFAOYSA-N 0 0 341.436 4.338 50 0 EIAARN O=C(c1ccc(OC2CCCC2)cc1)N1CCc2sccc2C1 ZINC000084387953 217602277 /nfs/dbraw/zinc/60/22/77/217602277.db2.gz LCGCOAOCLPTMRT-UHFFFAOYSA-N 0 0 327.449 4.268 50 0 EIAARN O=[S@](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1F ZINC000084728814 217637743 /nfs/dbraw/zinc/63/77/43/217637743.db2.gz QJIMKOZBBSMSCX-QFIPXVFZSA-N 0 0 334.309 4.433 50 0 EIAARN CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000013759210 211632435 /nfs/dbraw/zinc/63/24/35/211632435.db2.gz DVWCRDAAQVJYAI-PBHICJAKSA-N 0 0 330.478 4.371 50 0 EIAARN CSc1ccccc1C(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000085534025 217675079 /nfs/dbraw/zinc/67/50/79/217675079.db2.gz HKNDVCYLHFZOAF-INIZCTEOSA-N 0 0 340.492 4.007 50 0 EIAARN CC1(C)C[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CCO1 ZINC000085874974 217685043 /nfs/dbraw/zinc/68/50/43/217685043.db2.gz RQSXMUNZCHBRIZ-OAHLLOKOSA-N 0 0 340.467 4.124 50 0 biogenic EIAARN COc1ccc(NC(=O)c2ccc(Br)s2)c(C)c1 ZINC000013326297 211546315 /nfs/dbraw/zinc/54/63/15/211546315.db2.gz NGXCZMKSFWIWLT-UHFFFAOYSA-N 0 0 326.215 4.080 50 0 EIAARN Fc1ccc(CSc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000013114085 211522791 /nfs/dbraw/zinc/52/27/91/211522791.db2.gz ZNNKJRBVULVEPT-UHFFFAOYSA-N 0 0 338.205 4.152 50 0 aggregator EIAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000013014689 211512464 /nfs/dbraw/zinc/51/24/64/211512464.db2.gz KIIOMZVUVAOPIF-AWEZNQCLSA-N 0 0 348.855 4.035 50 0 EIAARN CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000013011078 211510278 /nfs/dbraw/zinc/51/02/78/211510278.db2.gz SCBAHKPAIYPJSH-UHFFFAOYSA-N 0 0 340.398 4.157 50 0 EIAARN Cc1nc2ccccc2nc1NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000089556231 217811733 /nfs/dbraw/zinc/81/17/33/217811733.db2.gz OTDBRNJXDOGVMI-OAHLLOKOSA-N 0 0 336.414 4.016 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3cc4ccccc4o3)cnc21 ZINC000013000644 211506061 /nfs/dbraw/zinc/50/60/61/211506061.db2.gz CNAPVPJPVQJKNH-ZDUSSCGKSA-N 0 0 348.406 4.249 50 0 EIAARN Cc1ccccc1CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000012980928 211498760 /nfs/dbraw/zinc/49/87/60/211498760.db2.gz YQEICJYBZOUTAX-UHFFFAOYSA-N 0 0 339.826 4.074 50 0 EIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)s1 ZINC000089656383 217824585 /nfs/dbraw/zinc/82/45/85/217824585.db2.gz XYRNPNFLVXPCSS-IACUBPJLSA-N 0 0 345.468 4.078 50 0 EIAARN COc1cc(OC)cc(C(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000012921946 211484269 /nfs/dbraw/zinc/48/42/69/211484269.db2.gz NYPCHCUJDMRQMY-ZDUSSCGKSA-N 0 0 343.448 4.235 50 0 EIAARN COC(=O)c1ccccc1NC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000012945222 211490784 /nfs/dbraw/zinc/49/07/84/211490784.db2.gz JFIBMEUCXIBUTI-UHFFFAOYSA-N 0 0 348.402 4.290 50 0 EIAARN Cc1noc(C)c1C(=O)N(CC(C)C)c1nc2ccccc2s1 ZINC000012930500 211487175 /nfs/dbraw/zinc/48/71/75/211487175.db2.gz RIKGSBWMLXWYLE-UHFFFAOYSA-N 0 0 329.425 4.204 50 0 EIAARN Cc1c(C(=O)N[C@H](c2ccccc2)C2CC2)cnn1-c1ccccc1 ZINC000012899201 211477404 /nfs/dbraw/zinc/47/74/04/211477404.db2.gz QVCOPBJTUNQIQD-HXUWFJFHSA-N 0 0 331.419 4.062 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1OC[C@H]1CCCO1 ZINC000012748128 211444176 /nfs/dbraw/zinc/44/41/76/211444176.db2.gz SSZXGPWMHWPPJN-OAHLLOKOSA-N 0 0 331.799 4.150 50 0 EIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)c1ccc(N(C)C)cc1 ZINC000012741818 211442452 /nfs/dbraw/zinc/44/24/52/211442452.db2.gz NBFZSMIOHZWTLA-UHFFFAOYSA-N 0 0 348.450 4.116 50 0 EIAARN CCCc1ccc2oc(C(=O)N3CCC[C@@H](COC)C3)c(C)c2c1 ZINC000012744082 211442454 /nfs/dbraw/zinc/44/24/54/211442454.db2.gz LKAHOJPUCFSDIJ-MRXNPFEDSA-N 0 0 329.440 4.192 50 0 EIAARN CC(C)c1noc(CSc2ncnc3sc4c(c32)CCCC4)n1 ZINC000012728180 211440130 /nfs/dbraw/zinc/44/01/30/211440130.db2.gz TUXVIGNBRJZFHA-UHFFFAOYSA-N 0 0 346.481 4.369 50 0 EIAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc2ccccc2c1 ZINC000012777886 211453938 /nfs/dbraw/zinc/45/39/38/211453938.db2.gz UJMSTFWGFPMMEK-AWEZNQCLSA-N 0 0 330.387 4.217 50 0 EIAARN COc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)c(OC)cc1Cl ZINC000012775140 211452425 /nfs/dbraw/zinc/45/24/25/211452425.db2.gz HWPIYKMQVCFXBW-UHFFFAOYSA-N 0 0 349.858 4.368 50 0 EIAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 ZINC000012573109 211413002 /nfs/dbraw/zinc/41/30/02/211413002.db2.gz HHGCKHHCZAOPSU-TZIWHRDSSA-N 0 0 345.377 4.463 50 0 EIAARN O=C(Nc1ccccc1F)Nc1ccccc1C(=O)NC1CCCC1 ZINC000012569098 211413078 /nfs/dbraw/zinc/41/30/78/211413078.db2.gz VXZDWOUYPYFCOG-UHFFFAOYSA-N 0 0 341.386 4.142 50 0 EIAARN O=C(c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)N1CCCC1 ZINC000012430259 211377272 /nfs/dbraw/zinc/37/72/72/211377272.db2.gz KNWMFWYLPIWSDX-UHFFFAOYSA-N 0 0 340.810 4.308 50 0 EIAARN O=C(CSc1ccncc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012526884 211399468 /nfs/dbraw/zinc/39/94/68/211399468.db2.gz FNOZDWOWGYJKFR-UHFFFAOYSA-N 0 0 344.770 4.067 50 0 EIAARN COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(C)cc4)o3)oc21 ZINC000012515527 211396908 /nfs/dbraw/zinc/39/69/08/211396908.db2.gz UKICEANSVZAXLF-UHFFFAOYSA-N 0 0 349.346 4.052 50 0 EIAARN Cc1ccccc1[C@H](CC(=O)NCc1ccncc1)c1ccccc1 ZINC000012449417 211387055 /nfs/dbraw/zinc/38/70/55/211387055.db2.gz IYWBVZAAQQWHDP-OAQYLSRUSA-N 0 0 330.431 4.228 50 0 EIAARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000012449331 211386042 /nfs/dbraw/zinc/38/60/42/211386042.db2.gz ZADQLGJWJYPMAY-OAHLLOKOSA-N 0 0 348.368 4.422 50 0 EIAARN Cc1c2ccc3c(c2oc(=O)c1-c1ccccc1)CN(C1CC1)CO3 ZINC000012442387 211383026 /nfs/dbraw/zinc/38/30/26/211383026.db2.gz RVOMLTIHNDTNDX-UHFFFAOYSA-N 0 0 333.387 4.083 50 0 EIAARN Cc1ccccc1[C@@H](CC(=O)N(C)Cc1ccon1)c1ccccc1 ZINC000012432534 211380142 /nfs/dbraw/zinc/38/01/42/211380142.db2.gz RQGAHEMIOTXIDK-FQEVSTJZSA-N 0 0 334.419 4.164 50 0 EIAARN COc1cc2c(cc1OC)[C@H](c1cccc(C(F)(F)F)c1)OCC2 ZINC000012419710 211375286 /nfs/dbraw/zinc/37/52/86/211375286.db2.gz SKBXJHLNLXHULY-KRWDZBQOSA-N 0 0 338.325 4.385 50 0 EIAARN Cc1ccsc1-c1nnc2sc(-c3ccc(F)cc3F)nn21 ZINC000012408169 211370743 /nfs/dbraw/zinc/37/07/43/211370743.db2.gz HKIDWRCJSPFECT-UHFFFAOYSA-N 0 0 334.376 4.168 50 0 EIAARN O=C([O-])[C@H](c1c[nH]c2ccccc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012407753 211370464 /nfs/dbraw/zinc/37/04/64/211370464.db2.gz FLOFCXXNXGZPQS-NRFANRHFSA-N 0 0 348.446 4.248 50 0 EIAARN CC(=O)N[C@@H](C)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012401887 211368792 /nfs/dbraw/zinc/36/87/92/211368792.db2.gz MHSFIOXYGXYLQP-FCLDQCEHSA-N 0 0 340.467 4.039 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1 ZINC000012383027 211363595 /nfs/dbraw/zinc/36/35/95/211363595.db2.gz VJLXQYOYGZKWGH-AWEZNQCLSA-N 0 0 340.423 4.174 50 0 EIAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)NCc1cccnc1 ZINC000012322614 211346466 /nfs/dbraw/zinc/34/64/66/211346466.db2.gz NJSXUZYVLPSOGB-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN c1csc(-c2cc(-c3nn4cnnc4s3)c3ccccc3n2)c1 ZINC000012321442 211346264 /nfs/dbraw/zinc/34/62/64/211346264.db2.gz DZZBLNZODVOYBT-UHFFFAOYSA-N 0 0 335.417 4.130 50 0 EIAARN Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012322312 211345945 /nfs/dbraw/zinc/34/59/45/211345945.db2.gz DAGDDDNYWAWHOE-UHFFFAOYSA-N 0 0 335.791 4.287 50 0 EIAARN O=C(NCc1cc(-c2ccccc2)on1)c1ccc(C(F)(F)F)cc1 ZINC000012235395 211326980 /nfs/dbraw/zinc/32/69/80/211326980.db2.gz CUGWSBMJOLUVFK-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN COc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012111407 211291599 /nfs/dbraw/zinc/29/15/99/211291599.db2.gz FRFJKWIQTVCCFS-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN c1cc(CNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)no1 ZINC000012094190 211290011 /nfs/dbraw/zinc/29/00/11/211290011.db2.gz RPJYXDRQBMWUDA-UHFFFAOYSA-N 0 0 335.411 4.186 50 0 EIAARN COc1ccc(CC[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000012053042 211285286 /nfs/dbraw/zinc/28/52/86/211285286.db2.gz GVGJGRSJVLFYLC-OAHLLOKOSA-N 0 0 343.389 4.209 50 0 EIAARN CCc1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000012029295 211281837 /nfs/dbraw/zinc/28/18/37/211281837.db2.gz LWODCDHKEZZIEO-UHFFFAOYSA-N 0 0 331.415 4.124 50 0 EIAARN COc1ccc(-c2nc(CN(C)[C@H](C)c3ccon3)c(C)o2)cc1C ZINC000011879873 211264100 /nfs/dbraw/zinc/26/41/00/211264100.db2.gz MOLJMXAXTIBCCY-CYBMUJFWSA-N 0 0 341.411 4.148 50 0 EIAARN Cc1cccc2c(C)cc(S[C@@H](C)C(=O)Nc3nccs3)nc12 ZINC000012000148 211278182 /nfs/dbraw/zinc/27/81/82/211278182.db2.gz IPIBICKKVZZNHT-LBPRGKRZSA-N 0 0 343.477 4.427 50 0 EIAARN Cc1cccc2c(C)cc(SCC(=O)N3CCCCCC3)nc12 ZINC000012000310 211277122 /nfs/dbraw/zinc/27/71/22/211277122.db2.gz GUUUAXVVBQMEIP-UHFFFAOYSA-N 0 0 328.481 4.346 50 0 EIAARN Cc1oc(-c2cccs2)nc1CN(C)Cc1nc2ccccc2o1 ZINC000011958616 211275770 /nfs/dbraw/zinc/27/57/70/211275770.db2.gz NSWRSCOHELPDHW-UHFFFAOYSA-N 0 0 339.420 4.485 50 0 EIAARN CCCCOc1ccccc1C(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000011915439 211268622 /nfs/dbraw/zinc/26/86/22/211268622.db2.gz VRNKCVUKILSALT-ZDUSSCGKSA-N 0 0 328.412 4.231 50 0 EIAARN CCCOc1ccccc1C(=O)Nc1nc(-c2cccs2)ns1 ZINC000011916753 211268144 /nfs/dbraw/zinc/26/81/44/211268144.db2.gz QXIZVRALQFXPMC-UHFFFAOYSA-N 0 0 345.449 4.308 50 0 EIAARN c1ccc2[nH]c(CSc3nnc4ccc5ccccc5n43)nc2c1 ZINC000011906268 211266618 /nfs/dbraw/zinc/26/66/18/211266618.db2.gz GVGJHRNJNNQYSM-UHFFFAOYSA-N 0 0 331.404 4.051 50 0 EIAARN COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)cc1C ZINC000011879872 211264544 /nfs/dbraw/zinc/26/45/44/211264544.db2.gz MOLJMXAXTIBCCY-ZDUSSCGKSA-N 0 0 341.411 4.148 50 0 EIAARN Cc1cc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2C)[nH]n1 ZINC000011819051 211252224 /nfs/dbraw/zinc/25/22/24/211252224.db2.gz MBCKQSGEVUIFHA-NRFANRHFSA-N 0 0 347.462 4.207 50 0 EIAARN Cc1ccsc1-c1nc(CN(CCO)Cc2cccs2)c(C)o1 ZINC000011814243 211250925 /nfs/dbraw/zinc/25/09/25/211250925.db2.gz XQFOSVWFLRHIMM-UHFFFAOYSA-N 0 0 348.493 4.076 50 0 EIAARN C[C@H](Cc1cncs1)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000091586611 218025628 /nfs/dbraw/zinc/02/56/28/218025628.db2.gz 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/nfs/dbraw/zinc/23/57/22/211235722.db2.gz IQFKJUWCHALFHI-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1cc(C)ccc1C ZINC000011690640 211234826 /nfs/dbraw/zinc/23/48/26/211234826.db2.gz IFYWPMVGXYADPG-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN COc1cccc([C@@H]2CCN2C(=O)c2[nH]c3ccc(C)cc3c2C)c1 ZINC000091746269 218058626 /nfs/dbraw/zinc/05/86/26/218058626.db2.gz QZNYXDJTUJTRPV-IBGZPJMESA-N 0 0 334.419 4.381 50 0 EIAARN CCCCCOc1ccc(S(=O)(=O)N[C@@H](C)CC)c2ccccc12 ZINC000011614049 211226497 /nfs/dbraw/zinc/22/64/97/211226497.db2.gz RMAHXCUMYDBBTF-HNNXBMFYSA-N 0 0 349.496 4.486 50 0 EIAARN Cc1ccc(-c2csc3ncn(CCc4ccccn4)c(=O)c23)cc1 ZINC000011329064 211212277 /nfs/dbraw/zinc/21/22/77/211212277.db2.gz LJXWHYZXXHWEIK-UHFFFAOYSA-N 0 0 347.443 4.071 50 0 EIAARN NC(=O)[C@@H](SC1=Nc2ccccc2CS1)c1ccc(F)cc1 ZINC000011268338 211210893 /nfs/dbraw/zinc/21/08/93/211210893.db2.gz ICEJEZOCOPCURN-AWEZNQCLSA-N 0 0 332.425 4.020 50 0 EIAARN COc1ccccc1-c1noc(CNc2cc(Cl)ccc2C)n1 ZINC000011264568 211210648 /nfs/dbraw/zinc/21/06/48/211210648.db2.gz UOECCZKVCKPSHC-UHFFFAOYSA-N 0 0 329.787 4.319 50 0 EIAARN C[C@@H](Oc1ccccc1)c1nn2c(nnc2C2CCCCC2)s1 ZINC000011279246 211210027 /nfs/dbraw/zinc/21/00/27/211210027.db2.gz XVAFDNABIFVXJQ-GFCCVEGCSA-N 0 0 328.441 4.374 50 0 EIAARN C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc21 ZINC000011476824 211217764 /nfs/dbraw/zinc/21/77/64/211217764.db2.gz TUBJHHIQJPKEIH-CYBMUJFWSA-N 0 0 348.431 4.112 50 0 EIAARN CCCCn1ccnc1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000091859724 218078436 /nfs/dbraw/zinc/07/84/36/218078436.db2.gz AZCBDQNPUZSFBK-UHFFFAOYSA-N 0 0 339.483 4.320 50 0 EIAARN Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1Cl ZINC000011427445 211215965 /nfs/dbraw/zinc/21/59/65/211215965.db2.gz IIGPUWNGBRZVRL-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN CCc1cccc(OCC(=O)NCc2ccc3cc(OC)ccc3c2)c1 ZINC000011122426 211204456 /nfs/dbraw/zinc/20/44/56/211204456.db2.gz VALIIZKXRYBYJD-UHFFFAOYSA-N 0 0 349.430 4.106 50 0 EIAARN CCOc1ccc(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000010963709 211197234 /nfs/dbraw/zinc/19/72/34/211197234.db2.gz QIJVSBNEEZMEQV-QGZVFWFLSA-N 0 0 345.439 4.120 50 0 EIAARN COCCC[C@H]1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 ZINC000091951471 218093549 /nfs/dbraw/zinc/09/35/49/218093549.db2.gz JJSLLOZCGSSFBL-CYBMUJFWSA-N 0 0 327.827 4.066 50 0 EIAARN Cc1cc(OCC(=O)N[C@H](c2ccccc2)C2CC2)ccc1Cl ZINC000011207927 211207401 /nfs/dbraw/zinc/20/74/01/211207401.db2.gz ANENFBQWMGUAMW-LJQANCHMSA-N 0 0 329.827 4.295 50 0 EIAARN COc1ccc2c(cc(C(=O)N3CCC[C@@H]3c3ccccc3C)n2C)c1 ZINC000091951993 218094531 /nfs/dbraw/zinc/09/45/31/218094531.db2.gz RARWLLJSBBGFSY-HXUWFJFHSA-N 0 0 348.446 4.473 50 0 EIAARN Clc1ccc(C2=NNC(=NCCc3cccs3)SC2)s1 ZINC000011127628 211204850 /nfs/dbraw/zinc/20/48/50/211204850.db2.gz CYVUBWDRSFAMAH-UHFFFAOYSA-N 0 0 341.914 4.102 50 0 EIAARN O=C(NC1CC1)[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000011154974 211204929 /nfs/dbraw/zinc/20/49/29/211204929.db2.gz IVXHUADJXVFPDQ-INIZCTEOSA-N 0 0 336.769 4.050 50 0 EIAARN Nc1cc(C(=O)OCc2ccc(Br)cc2)ccc1Cl ZINC000010874328 211193137 /nfs/dbraw/zinc/19/31/37/211193137.db2.gz RRJOLEIKQWONGM-UHFFFAOYSA-N 0 0 340.604 4.042 50 0 EIAARN COc1cc(N)c(Cl)cc1C(=O)OCc1ccc(F)cc1Cl ZINC000010550949 211180788 /nfs/dbraw/zinc/18/07/88/211180788.db2.gz OUZBBEYSOSJKMD-UHFFFAOYSA-N 0 0 344.169 4.080 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)CCc1c[nH]c2ccccc12 ZINC000010542174 211180814 /nfs/dbraw/zinc/18/08/14/211180814.db2.gz MSOWPUZIELCQOG-UHFFFAOYSA-N 0 0 334.419 4.089 50 0 EIAARN O=C(c1ccc(Cl)s1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010544985 211180827 /nfs/dbraw/zinc/18/08/27/211180827.db2.gz ALDGWCBZQZRAPD-NSHDSACASA-N 0 0 345.855 4.298 50 0 EIAARN CSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000010542989 211180871 /nfs/dbraw/zinc/18/08/71/211180871.db2.gz JYJJLXGCZULRFQ-HNNXBMFYSA-N 0 0 327.449 4.441 50 0 EIAARN Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccccc2)c(Cl)c1 ZINC000010311108 211161658 /nfs/dbraw/zinc/16/16/58/211161658.db2.gz ASBFEAMZPYWFIB-SFHVURJKSA-N 0 0 328.843 4.424 50 0 EIAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1Cl ZINC000010296562 211161105 /nfs/dbraw/zinc/16/11/05/211161105.db2.gz FRYYSLDHAIUOKJ-HNNXBMFYSA-N 0 0 331.799 4.150 50 0 EIAARN Cc1cc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c(C)o1 ZINC000010283807 211159954 /nfs/dbraw/zinc/15/99/54/211159954.db2.gz IDAXBISCSUAJLH-XXWNAHEMSA-N 0 0 330.424 4.227 50 0 EIAARN Cc1ccc(C)c(-n2ccnc(NCc3ccc(Cl)cc3)c2=O)c1 ZINC000010273411 211159678 /nfs/dbraw/zinc/15/96/78/211159678.db2.gz KLEIOKALEJGPSC-UHFFFAOYSA-N 0 0 339.826 4.115 50 0 EIAARN COc1ccc(SCCC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000010219546 211155124 /nfs/dbraw/zinc/15/51/24/211155124.db2.gz YYLHODOBKLZYFS-UHFFFAOYSA-N 0 0 348.493 4.151 50 0 EIAARN COc1ccccc1-c1ccc(=O)n(Cc2cccc3ccccc32)n1 ZINC000010220811 211154502 /nfs/dbraw/zinc/15/45/02/211154502.db2.gz XPEVZCJFNIRJHT-UHFFFAOYSA-N 0 0 342.398 4.120 50 0 EIAARN Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCc3ccco3)nc2C1 ZINC000010156895 211151684 /nfs/dbraw/zinc/15/16/84/211151684.db2.gz 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/nfs/dbraw/zinc/12/96/91/211129691.db2.gz BPUUTZJCZBXCIL-UHFFFAOYSA-N 0 0 347.397 4.184 50 0 EIAARN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(F)cc1 ZINC000009827842 211125738 /nfs/dbraw/zinc/12/57/38/211125738.db2.gz UOCAFEAGGAVVSF-UHFFFAOYSA-N 0 0 348.333 4.436 50 0 EIAARN Cc1ccn2cc(-c3ccc(NC(=O)C4CCCCC4)cc3)nc2n1 ZINC000009572034 211102606 /nfs/dbraw/zinc/10/26/06/211102606.db2.gz YNDRYLAVMLJZKH-UHFFFAOYSA-N 0 0 334.423 4.224 50 0 EIAARN O=c1c(SCc2ccc(F)cc2)nccn1-c1ccc(Cl)cc1 ZINC000009639812 211110954 /nfs/dbraw/zinc/11/09/54/211110954.db2.gz ANOJFTBKQXUHTC-UHFFFAOYSA-N 0 0 346.814 4.317 50 0 EIAARN Cc1ccc(-n2ccnc(SCc3ccccc3C)c2=O)cc1C ZINC000009639891 211110695 /nfs/dbraw/zinc/11/06/95/211110695.db2.gz FMTMOYBEJLPBAU-UHFFFAOYSA-N 0 0 336.460 4.450 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]c(=O)sc3c2)cc1 ZINC000009587444 211106459 /nfs/dbraw/zinc/10/64/59/211106459.db2.gz DSZSJVDUZNTUSS-UHFFFAOYSA-N 0 0 326.421 4.139 50 0 EIAARN c1coc(-c2nnc(SCc3coc(-c4ccccc4)n3)o2)c1 ZINC000009499859 211093768 /nfs/dbraw/zinc/09/37/68/211093768.db2.gz OHAKGQCZFITMOA-UHFFFAOYSA-N 0 0 325.349 4.277 50 0 EIAARN Cc1noc(C)c1C(=O)N(CCc1ccccc1)Cc1cccs1 ZINC000009499258 211092598 /nfs/dbraw/zinc/09/25/98/211092598.db2.gz HXJXWOYBEAOKQB-UHFFFAOYSA-N 0 0 340.448 4.238 50 0 EIAARN O=C(c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000009547460 211100852 /nfs/dbraw/zinc/10/08/52/211100852.db2.gz CMKSWSUJMOUFOO-UHFFFAOYSA-N 0 0 341.382 4.139 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@H]1C(C)C ZINC000009528270 211098585 /nfs/dbraw/zinc/09/85/85/211098585.db2.gz MEBBVHAADYKDSB-QGZVFWFLSA-N 0 0 347.846 4.395 50 0 EIAARN CCOc1ccc(NC(=O)N2CCn3c(C)ccc3[C@H]2C(C)C)cc1 ZINC000009528351 211098610 /nfs/dbraw/zinc/09/86/10/211098610.db2.gz UQBBVZGTGPJDPQ-LJQANCHMSA-N 0 0 341.455 4.440 50 0 EIAARN CC(C)OCCCNC(=O)c1cc2c(s1)-c1ccsc1CC2 ZINC000009527197 211097356 /nfs/dbraw/zinc/09/73/56/211097356.db2.gz JGRKEKSMQXEZKZ-UHFFFAOYSA-N 0 0 335.494 4.120 50 0 EIAARN COc1ccc(-c2ocnc2C(=O)Nc2ccc(Cl)cc2)cc1 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4.081 50 0 EIAARN COCC[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC000096151389 218628065 /nfs/dbraw/zinc/62/80/65/218628065.db2.gz RXHQYEPMJZOPOH-LBPRGKRZSA-N 0 0 348.340 4.267 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(N3CCC[C@@H](C)C3)s2)c(C)c1 ZINC000006791704 210714031 /nfs/dbraw/zinc/71/40/31/210714031.db2.gz WHGCNPBWOQRBKK-GFCCVEGCSA-N 0 0 345.472 4.035 50 0 EIAARN Cc1nc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2nc1C ZINC000006703001 210686349 /nfs/dbraw/zinc/68/63/49/210686349.db2.gz SMDOXOQJPGNBFT-UHFFFAOYSA-N 0 0 326.783 4.257 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(-c2cn[nH]c2)c1 ZINC000096153499 218629143 /nfs/dbraw/zinc/62/91/43/218629143.db2.gz OQHJOQWVEPEWDT-FQEVSTJZSA-N 0 0 331.419 4.362 50 0 EIAARN CCSc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1C ZINC000006739483 210696517 /nfs/dbraw/zinc/69/65/17/210696517.db2.gz KVFMEZIDFWXXPG-UHFFFAOYSA-N 0 0 330.840 4.460 50 0 EIAARN CCCSc1ccccc1NC(=O)N[C@@H](C)Cc1ccncc1 ZINC000096179518 218641779 /nfs/dbraw/zinc/64/17/79/218641779.db2.gz LHNNRKSTXPUDQB-AWEZNQCLSA-N 0 0 329.469 4.336 50 0 EIAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cccs1 ZINC000006549972 210651763 /nfs/dbraw/zinc/65/17/63/210651763.db2.gz ATBSTXNZFPOAGQ-UHFFFAOYSA-N 0 0 341.461 4.181 50 0 EIAARN COC(=O)c1c(NC(=S)Nc2cccc(C)c2)sc2c1CCC2 ZINC000006547292 210651487 /nfs/dbraw/zinc/65/14/87/210651487.db2.gz NDFMQBRDQGAWEG-UHFFFAOYSA-N 0 0 346.477 4.141 50 0 EIAARN CCOc1ccccc1OCCCC(=O)Nc1cc(C)ccc1C ZINC000006540222 210650474 /nfs/dbraw/zinc/65/04/74/210650474.db2.gz CPILMKOQXDCSEX-UHFFFAOYSA-N 0 0 327.424 4.500 50 0 EIAARN O=C(/C=C\c1cccc(F)c1)OCC(=O)Nc1ccc2ccccc2c1 ZINC000006455453 210635033 /nfs/dbraw/zinc/63/50/33/210635033.db2.gz WCDSGFKDSRAAQI-FLIBITNWSA-N 0 0 349.361 4.174 50 0 EIAARN Cc1ccc(C2=NC(=CNc3cccc4ccccc43)C(=O)O2)cc1 ZINC000006301004 210614864 /nfs/dbraw/zinc/61/48/64/210614864.db2.gz BPBGTGBOAFQJGL-UYRXBGFRSA-N 0 0 328.371 4.405 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)c1ccc(F)cc1F ZINC000006288051 210612503 /nfs/dbraw/zinc/61/25/03/210612503.db2.gz YPVMSXZCCLHDCU-UHFFFAOYSA-N 0 0 326.140 4.288 50 0 EIAARN COc1ccccc1CNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000006288740 210612070 /nfs/dbraw/zinc/61/20/70/210612070.db2.gz BJYNPZGEVJQZME-GOSISDBHSA-N 0 0 331.843 4.405 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2ccc(O)cc2)cc1OCC ZINC000006273805 210610790 /nfs/dbraw/zinc/61/07/90/210610790.db2.gz KCXFOMPIXPAPPM-UHFFFAOYSA-N 0 0 329.396 4.222 50 0 EIAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccoc1C ZINC000006254735 210606589 /nfs/dbraw/zinc/60/65/89/210606589.db2.gz IWLUVUPSPGHTAC-UHFFFAOYSA-N 0 0 341.388 4.355 50 0 EIAARN COc1ccc(-c2nnc(SCCOc3ccc(F)cc3)o2)cc1 ZINC000006078746 210583730 /nfs/dbraw/zinc/58/37/30/210583730.db2.gz ZOXAWCRDFMBDLI-UHFFFAOYSA-N 0 0 346.383 4.055 50 0 EIAARN COc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1 ZINC000006152217 210594501 /nfs/dbraw/zinc/59/45/01/210594501.db2.gz DPXAZPDOZOINMT-UHFFFAOYSA-N 0 0 333.815 4.455 50 0 EIAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000096330688 218744732 /nfs/dbraw/zinc/74/47/32/218744732.db2.gz FMNPCVNWRFPDCA-MJCUULBUSA-N 0 0 328.452 4.483 50 0 biogenic EIAARN C(=C/c1ccccc1)\CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000005937848 210562859 /nfs/dbraw/zinc/56/28/59/210562859.db2.gz QZCBMJUULZZUBT-QPJJXVBHSA-N 0 0 338.388 4.271 50 0 EIAARN Cc1ccc(C2=N/C(=C\c3ccccc3OC(F)F)C(=O)O2)cc1C ZINC000005870424 210551509 /nfs/dbraw/zinc/55/15/09/210551509.db2.gz ICTYBSQFRNARMB-GDNBJRDFSA-N 0 0 343.329 4.249 50 0 EIAARN O=P(Oc1ccccc1)(Oc1ccccc1)N1CCSCC1 ZINC000005737642 210527330 /nfs/dbraw/zinc/52/73/30/210527330.db2.gz UUCGOVIOOXXCEM-UHFFFAOYSA-N 0 0 335.365 4.301 50 0 EIAARN CC(=O)Nc1cccc(CSCc2nnc(-c3ccccc3)o2)c1 ZINC000096433432 218809299 /nfs/dbraw/zinc/80/92/99/218809299.db2.gz USQIWXMCKBSXIK-UHFFFAOYSA-N 0 0 339.420 4.128 50 0 EIAARN C[C@@H](NC(=O)/C=C\c1cccc(Br)c1)c1cccs1 ZINC000096585410 218884284 /nfs/dbraw/zinc/88/42/84/218884284.db2.gz SVZOIVQZFRHOKO-SKVAFPRGSA-N 0 0 336.254 4.401 50 0 EIAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1 ZINC000005460463 210468602 /nfs/dbraw/zinc/46/86/02/210468602.db2.gz VYOXGTOAJDFXGF-INIZCTEOSA-N 0 0 333.435 4.446 50 0 EIAARN COc1cc(OC)cc(-c2nnc(SCCc3ccccc3)o2)c1 ZINC000005435421 210463009 /nfs/dbraw/zinc/46/30/09/210463009.db2.gz YLQCNDZXOFZZDX-UHFFFAOYSA-N 0 0 342.420 4.089 50 0 EIAARN CCSc1nnc(NC(=O)/C=C\c2ccc([C@@H]3C[C@@H]3C)o2)s1 ZINC000096878854 218895736 /nfs/dbraw/zinc/89/57/36/218895736.db2.gz GMKDUFIKYPZYAJ-ZQSFWJJOSA-N 0 0 335.454 4.018 50 0 EIAARN COc1ccc(C)cc1CSc1nnc(-c2ccccc2C)n1C ZINC000005319712 210438431 /nfs/dbraw/zinc/43/84/31/210438431.db2.gz QARUMZBFCFTXBE-UHFFFAOYSA-N 0 0 339.464 4.400 50 0 EIAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(F)c1 ZINC000096759112 218889210 /nfs/dbraw/zinc/88/92/10/218889210.db2.gz PCQCRIVEWTWQCQ-MDWZMJQESA-N 0 0 326.396 4.158 50 0 EIAARN C[S@](=O)c1ccccc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000005284348 210432253 /nfs/dbraw/zinc/43/22/53/210432253.db2.gz DZEFGWYINSYASX-XMMPIXPASA-N 0 0 340.448 4.439 50 0 EIAARN CCn1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000005266179 210428847 /nfs/dbraw/zinc/42/88/47/210428847.db2.gz VPNVLLJJSUEGDW-UHFFFAOYSA-N 0 0 339.395 4.322 50 0 EIAARN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 ZINC000005137287 210398608 /nfs/dbraw/zinc/39/86/08/210398608.db2.gz AWNIMBAGYWFKME-UHFFFAOYSA-N 0 0 334.872 4.312 50 0 EIAARN CCSc1nc(-c2cccc(OC)c2)nc2c1COC(C)(C)C2 ZINC000005204028 210412350 /nfs/dbraw/zinc/41/23/50/210412350.db2.gz CZSQWZGIJKJVRC-UHFFFAOYSA-N 0 0 330.453 4.116 50 0 EIAARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005144965 210399946 /nfs/dbraw/zinc/39/99/46/210399946.db2.gz GPFGOFADBHYVQF-UHFFFAOYSA-N 0 0 344.480 4.274 50 0 EIAARN CC(=O)CCSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000005109216 210391700 /nfs/dbraw/zinc/39/17/00/210391700.db2.gz IBHLHNYQUQQKBL-UHFFFAOYSA-N 0 0 329.450 4.067 50 0 EIAARN CC(C)(C)[S@@](=O)CCNC(=O)N(c1ccccc1)c1ccccc1 ZINC000097082768 218944193 /nfs/dbraw/zinc/94/41/93/218944193.db2.gz JNUYDQNDLJSRSC-XMMPIXPASA-N 0 0 344.480 4.082 50 0 EIAARN N=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000005101252 210389311 /nfs/dbraw/zinc/38/93/11/210389311.db2.gz IWEZRUQXJRJILT-SDQBBNPISA-N 0 0 339.203 4.392 50 0 EIAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)o1 ZINC000005092591 210388599 /nfs/dbraw/zinc/38/85/99/210388599.db2.gz HDOHYFBYRAKYJQ-FXAWDEMLSA-N 0 0 331.375 4.225 50 0 EIAARN COc1ccc(C(C)=O)cc1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005126997 210394820 /nfs/dbraw/zinc/39/48/20/210394820.db2.gz BCLWRZLHWYEHRD-UHFFFAOYSA-N 0 0 342.435 4.157 50 0 EIAARN CC[C@@H](C)NC(=O)CSCc1nc(-c2cccc(C)c2)oc1C ZINC000005057640 210378964 /nfs/dbraw/zinc/37/89/64/210378964.db2.gz KFALNOZBVDPPQL-CYBMUJFWSA-N 0 0 332.469 4.106 50 0 EIAARN COc1cc(C=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000005050797 210375452 /nfs/dbraw/zinc/37/54/52/210375452.db2.gz HOHHGCWHWKDXRB-UHFFFAOYSA-N 0 0 334.799 4.236 50 0 EIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C)c2)c(C)n1CC ZINC000005054629 210377659 /nfs/dbraw/zinc/37/76/59/210377659.db2.gz DYHBFEFFBHCNAP-UHFFFAOYSA-N 0 0 342.439 4.171 50 0 EIAARN CC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1cccc1 ZINC000005055397 210377449 /nfs/dbraw/zinc/37/74/49/210377449.db2.gz YLTYCWUXDOQHHB-YADHBBJMSA-N 0 0 346.474 4.409 50 0 EIAARN CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(OC)cc1 ZINC000005065715 210382343 /nfs/dbraw/zinc/38/23/43/210382343.db2.gz NHMDTSDPFJCFPR-UHFFFAOYSA-N 0 0 343.427 4.405 50 0 EIAARN CCn1c(C(=O)N[C@@H](C)CCc2ccccc2)cc2sccc21 ZINC000005036504 210371834 /nfs/dbraw/zinc/37/18/34/210371834.db2.gz XQWSWLVXZRDTQW-AWEZNQCLSA-N 0 0 326.465 4.474 50 0 EIAARN C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc(Cl)c1 ZINC000005036993 210371288 /nfs/dbraw/zinc/37/12/88/210371288.db2.gz OWONWJCGRZVWEK-LLVKDONJSA-N 0 0 342.782 4.005 50 0 EIAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1cccc(F)c1 ZINC000005033498 210369754 /nfs/dbraw/zinc/36/97/54/210369754.db2.gz FGPBOUIKOCHOAG-UHFFFAOYSA-N 0 0 327.428 4.145 50 0 EIAARN Cc1cccc2c1-c1sc(C(=O)N3CCC(C)CC3)cc1CO2 ZINC000005048177 210374200 /nfs/dbraw/zinc/37/42/00/210374200.db2.gz VAUPKXLEEMMZSI-UHFFFAOYSA-N 0 0 327.449 4.488 50 0 EIAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NC1CC1 ZINC000005025970 210365278 /nfs/dbraw/zinc/36/52/78/210365278.db2.gz QZEKZIUMIQXLPM-UHFFFAOYSA-N 0 0 346.883 4.138 50 0 EIAARN Cc1cc2c(ncnc2SCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000005017194 210362560 /nfs/dbraw/zinc/36/25/60/210362560.db2.gz TYIIDSIPTYRSOD-UHFFFAOYSA-N 0 0 349.868 4.384 50 0 EIAARN Cc1ccc(OC(=O)c2ccccc2F)c(-n2nc3ccccc3n2)c1 ZINC000005002865 210357482 /nfs/dbraw/zinc/35/74/82/210357482.db2.gz CXDFVTBPZRIHGI-UHFFFAOYSA-N 0 0 347.349 4.087 50 0 EIAARN CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cc(C)ccc1C ZINC000004994088 210353284 /nfs/dbraw/zinc/35/32/84/210353284.db2.gz QIIFABLDMUQYNB-UHFFFAOYSA-N 0 0 334.419 4.006 50 0 EIAARN O=C(Nc1ccccc1C(=O)OCc1ccc(F)cc1)c1ccco1 ZINC000004979796 210346399 /nfs/dbraw/zinc/34/63/99/210346399.db2.gz XMKSTLMWWVYABS-UHFFFAOYSA-N 0 0 339.322 4.028 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 ZINC000000029052 208551433 /nfs/dbraw/zinc/55/14/33/208551433.db2.gz UIRYEEVYDFFADV-UHFFFAOYSA-N 0 0 345.240 4.302 50 0 EIAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccnc1 ZINC000000029330 208551570 /nfs/dbraw/zinc/55/15/70/208551570.db2.gz IINUCCJUWFFRDP-UHFFFAOYSA-N 0 0 336.778 4.218 50 0 EIAARN Cc1ccc(OCC(=O)Oc2ccc(Br)c(C)c2)cc1 ZINC000000038522 208555113 /nfs/dbraw/zinc/55/51/13/208555113.db2.gz BBQZPTWAMUQZCK-UHFFFAOYSA-N 0 0 335.197 4.050 50 0 EIAARN CCc1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1 ZINC000004921650 210324154 /nfs/dbraw/zinc/32/41/54/210324154.db2.gz MLDTUNVZFZFXOK-UHFFFAOYSA-N 0 0 339.370 4.009 50 0 EIAARN COc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1Cl ZINC000004942951 210333704 /nfs/dbraw/zinc/33/37/04/210333704.db2.gz GLDJGAKFEPPVOA-UHFFFAOYSA-N 0 0 328.799 4.293 50 0 EIAARN CCOc1ccc(N[C@H]2c3ccccc3C(=O)N2c2cccnc2)cc1 ZINC000004918057 210322219 /nfs/dbraw/zinc/32/22/19/210322219.db2.gz ADRHEUAIZOZUCF-HXUWFJFHSA-N 0 0 345.402 4.251 50 0 EIAARN Cc1ccc(OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000007007800 208570957 /nfs/dbraw/zinc/57/09/57/208570957.db2.gz JWFXTHDHEHYFNC-UHFFFAOYSA-N 0 0 325.408 4.241 50 0 EIAARN CC(=O)c1c(F)cccc1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000097286533 219009188 /nfs/dbraw/zinc/00/91/88/219009188.db2.gz JCHIPCSNBWQOKJ-UHFFFAOYSA-N 0 0 335.762 4.065 50 0 EIAARN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000004854195 210301565 /nfs/dbraw/zinc/30/15/65/210301565.db2.gz XDRTUJVASRWYKM-HXUWFJFHSA-N 0 0 347.418 4.134 50 0 EIAARN O=C([O-])c1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000004868713 210308119 /nfs/dbraw/zinc/30/81/19/210308119.db2.gz LLICPSSHVBHORL-UHFFFAOYSA-N 0 0 325.339 4.074 50 0 EIAARN C[C@H](NC(=O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000004868615 210308143 /nfs/dbraw/zinc/30/81/43/210308143.db2.gz GYTZYMZDVPYUST-ZDUSSCGKSA-N 0 0 332.241 4.259 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000004867712 210307516 /nfs/dbraw/zinc/30/75/16/210307516.db2.gz IRAQLBCZUYPXSY-UHFFFAOYSA-N 0 0 334.828 4.029 50 0 EIAARN N=c1sc2ccccc2n1CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004867591 210306901 /nfs/dbraw/zinc/30/69/01/210306901.db2.gz YPMHKEKIGZYQHD-UHFFFAOYSA-N 0 0 337.231 4.372 50 0 EIAARN CCOc1ccc(NC(=O)N(CC)[C@@H]2CCOC(C)(C)C2)c(F)c1 ZINC000097360251 219014250 /nfs/dbraw/zinc/01/42/50/219014250.db2.gz MLKPMCGDTFIHMY-CYBMUJFWSA-N 0 0 338.423 4.036 50 0 EIAARN COc1ccccc1Nc1nnc(SCc2c(C)noc2C)s1 ZINC000004835788 210293316 /nfs/dbraw/zinc/29/33/16/210293316.db2.gz YIPUGRUEBMRFFY-UHFFFAOYSA-N 0 0 348.453 4.187 50 0 EIAARN CCCSc1nc2ccccc2c(=O)n1[C@@H]1CCOC(C)(C)C1 ZINC000004838114 210292875 /nfs/dbraw/zinc/29/28/75/210292875.db2.gz BUGAKGBHTFSXRR-CYBMUJFWSA-N 0 0 332.469 4.029 50 0 EIAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000004833700 210292438 /nfs/dbraw/zinc/29/24/38/210292438.db2.gz UGBPZROAJWLIBU-FQEVSTJZSA-N 0 0 344.414 4.105 50 0 EIAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000004834408 210291755 /nfs/dbraw/zinc/29/17/55/210291755.db2.gz ORWSNLDVZRVOAX-BJOHPYRUSA-N 0 0 338.190 4.160 50 0 EIAARN Cc1ccc(SCc2nc3ncccn3c2Br)cc1 ZINC000004815826 210286762 /nfs/dbraw/zinc/28/67/62/210286762.db2.gz LPQZQQRAFAEUQL-UHFFFAOYSA-N 0 0 334.242 4.093 50 0 EIAARN CCN(C(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000004810476 210283099 /nfs/dbraw/zinc/28/30/99/210283099.db2.gz SSYUBVPLRSGPFZ-UHFFFAOYSA-N 0 0 334.375 4.199 50 0 EIAARN Fc1ccccc1Cc1nnc2sc(/C=C\c3ccccc3)nn12 ZINC000097475146 219028966 /nfs/dbraw/zinc/02/89/66/219028966.db2.gz UFWPZSUKEKTPKP-KHPPLWFESA-N 0 0 336.395 4.086 50 0 EIAARN CC(=O)c1cc(CC(=O)NC[C@@H](C)c2ccc(Cl)cc2)cs1 ZINC000097514416 219032197 /nfs/dbraw/zinc/03/21/97/219032197.db2.gz JWCDHEANHSOQCZ-LLVKDONJSA-N 0 0 335.856 4.067 50 0 EIAARN Cc1csc([C@H](C)N(C)C(=O)c2cc(-c3ccc(C)s3)n[nH]2)n1 ZINC000097522379 219032496 /nfs/dbraw/zinc/03/24/96/219032496.db2.gz PDHCUALSTFVEAU-NSHDSACASA-N 0 0 346.481 4.045 50 0 EIAARN O=C(c1ccc2ncsc2c1)N1CCC2(CCc3ccccc32)CC1 ZINC000097527352 219033644 /nfs/dbraw/zinc/03/36/44/219033644.db2.gz KZGSTFBJSTZPJH-UHFFFAOYSA-N 0 0 348.471 4.417 50 0 EIAARN O=C(COc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000004776278 210275216 /nfs/dbraw/zinc/27/52/16/210275216.db2.gz APRUEVWBRFNKAI-UHFFFAOYSA-N 0 0 325.589 4.364 50 0 EIAARN Cc1cccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)c1 ZINC000004746910 210268407 /nfs/dbraw/zinc/26/84/07/210268407.db2.gz BZWHNRBEAINLCW-UHFFFAOYSA-N 0 0 344.842 4.266 50 0 EIAARN CCOc1ccc(-c2oc3cc(Cl)ccc3c(=O)c2O)cc1OC ZINC000004770076 210274293 /nfs/dbraw/zinc/27/42/93/210274293.db2.gz SSUJFMZEFRZZFM-UHFFFAOYSA-N 0 0 346.766 4.226 50 0 EIAARN CC1=NN([C@H](CNC(=O)c2ccccc2)c2ccccc2)C(C)(C)C1 ZINC000004770896 210273744 /nfs/dbraw/zinc/27/37/44/210273744.db2.gz QUCARBZSOHYLNI-LJQANCHMSA-N 0 0 335.451 4.018 50 0 EIAARN CC(C)(C)C(=O)c1ccsc1NC(=O)Cc1noc2ccccc21 ZINC000118627224 221162292 /nfs/dbraw/zinc/16/22/92/221162292.db2.gz ASEBUECVRREDQC-UHFFFAOYSA-N 0 0 342.420 4.299 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)CN1CC1 ZINC000118913464 221202813 /nfs/dbraw/zinc/20/28/13/221202813.db2.gz YAZNTOPQJPATQT-FAWMDMTCSA-N 0 0 331.544 4.466 50 0 biogenic EIAARN O=C(C1CC=CC1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000186282568 257952878 /nfs/dbraw/zinc/95/28/78/257952878.db2.gz CXOVSOYJAPUORA-OAHLLOKOSA-N 0 0 338.220 4.218 50 0 EIAARN O=C(Nc1cccc(NC(=O)N2CCC3(CCC3)C2)c1)c1ccccc1 ZINC000152324505 257956620 /nfs/dbraw/zinc/95/66/20/257956620.db2.gz PDCXQHYMWYFZMZ-UHFFFAOYSA-N 0 0 349.434 4.347 50 0 EIAARN O=C(c1conc1-c1ccccc1)N1CCCC[C@@H]1c1nccs1 ZINC000426445688 257967823 /nfs/dbraw/zinc/96/78/23/257967823.db2.gz WIGXJSHYTJTIEJ-OAHLLOKOSA-N 0 0 339.420 4.166 50 0 EIAARN O=C(c1conc1-c1ccccc1)N1CCCC[C@H]1c1nccs1 ZINC000426445687 257967934 /nfs/dbraw/zinc/96/79/34/257967934.db2.gz WIGXJSHYTJTIEJ-HNNXBMFYSA-N 0 0 339.420 4.166 50 0 EIAARN O=C(NCc1ccccn1)c1ccc(CSc2ccccc2)cc1 ZINC000000452536 257910992 /nfs/dbraw/zinc/91/09/92/257910992.db2.gz NNPXFRFECJHVQV-UHFFFAOYSA-N 0 0 334.444 4.304 50 0 EIAARN CCc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(C)cc1)=N2 ZINC000006134985 257927584 /nfs/dbraw/zinc/92/75/84/257927584.db2.gz ZOYUKRKAESVTMG-UHFFFAOYSA-N 0 0 340.430 4.386 50 0 EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCC2)cc1 ZINC000000455027 257928356 /nfs/dbraw/zinc/92/83/56/257928356.db2.gz GJTUKVRTKUVCTI-UHFFFAOYSA-N 0 0 345.446 4.474 50 0 EIAARN O=C(c1cc[nH]c(=O)c1)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000357160009 257931034 /nfs/dbraw/zinc/93/10/34/257931034.db2.gz SJEWAPKNRCGCAZ-INIZCTEOSA-N 0 0 344.842 4.068 50 0 EIAARN Cc1nc(C2CC2)oc1C(=O)N(Cc1ccsc1)c1cccnc1 ZINC000281761327 257938297 /nfs/dbraw/zinc/93/82/97/257938297.db2.gz YSRLEAOQCUQXIE-UHFFFAOYSA-N 0 0 339.420 4.164 50 0 EIAARN O=C(C[C@@H]1CCCN1C(=O)CCc1ccsc1)c1cccs1 ZINC000267497367 257942999 /nfs/dbraw/zinc/94/29/99/257942999.db2.gz FZTMXXDCLSKHRJ-AWEZNQCLSA-N 0 0 333.478 4.006 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2o1 ZINC000000097791 258047586 /nfs/dbraw/zinc/04/75/86/258047586.db2.gz XFUFXCJKHVYTNM-UHFFFAOYSA-N 0 0 348.811 4.221 50 0 EIAARN CCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccc(OC)c1 ZINC000328599644 258041673 /nfs/dbraw/zinc/04/16/73/258041673.db2.gz SRLZPKVDLKWONK-GOSISDBHSA-N 0 0 342.826 4.436 50 0 EIAARN O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1ccc(F)cc1 ZINC000328592207 258044070 /nfs/dbraw/zinc/04/40/70/258044070.db2.gz NCQCXRQPUVKFEP-UHFFFAOYSA-N 0 0 335.382 4.278 50 0 EIAARN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H]1/C=C/c1cccs1 ZINC000328587927 258045729 /nfs/dbraw/zinc/04/57/29/258045729.db2.gz KCEYETHBRHSHPF-MVGZEHJDSA-N 0 0 338.432 4.210 50 0 EIAARN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)C(F)F)c1 ZINC000328587429 258046058 /nfs/dbraw/zinc/04/60/58/258046058.db2.gz QOZOEZCARCYPMK-SJORKVTESA-N 0 0 331.362 4.018 50 0 EIAARN Cc1c(NC[C@@H]2CCO[C@@H](C)C2)cccc1NC(=O)c1ccccc1 ZINC000408514801 257983454 /nfs/dbraw/zinc/98/34/54/257983454.db2.gz JVMHRFHDDSAEKZ-DOTOQJQBSA-N 0 0 338.451 4.474 50 0 EIAARN Cc1cc(CO)oc1C(=O)Nc1cc(C)ccc1Oc1ccccc1 ZINC000330032257 258002083 /nfs/dbraw/zinc/00/20/83/258002083.db2.gz KBRGLXWPROJFBF-UHFFFAOYSA-N 0 0 337.375 4.433 50 0 EIAARN Cc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000036385539 258003463 /nfs/dbraw/zinc/00/34/63/258003463.db2.gz JVSNEQVFZFOPEO-UWWQBHOKSA-N 0 0 332.440 4.156 50 0 EIAARN COc1ccc2[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000000118993 258047185 /nfs/dbraw/zinc/04/71/85/258047185.db2.gz YQCHJMDEDPTCDN-UHFFFAOYSA-N 0 0 348.446 4.271 50 0 EIAARN O=C(NCc1ccc(-c2csnn2)cc1)Nc1ccc(Cl)cc1 ZINC000000106462 258047328 /nfs/dbraw/zinc/04/73/28/258047328.db2.gz VWCOPWGAHHNHFS-UHFFFAOYSA-N 0 0 344.827 4.180 50 0 EIAARN CC(C)COc1ccccc1NC(=O)N(C)CC[C@@H]1CCCCO1 ZINC000299792221 258097421 /nfs/dbraw/zinc/09/74/21/258097421.db2.gz FTSRQRAGNVXVIL-INIZCTEOSA-N 0 0 334.460 4.144 50 0 EIAARN Cc1nc(-c2cccc(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)c2)sc1C ZINC000299802484 258105175 /nfs/dbraw/zinc/10/51/75/258105175.db2.gz WZJBNYRIWPLHRD-HDICACEKSA-N 0 0 338.476 4.465 50 0 EIAARN CCC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000000455978 258048346 /nfs/dbraw/zinc/04/83/46/258048346.db2.gz XYESGJNOIDUBGC-UHFFFAOYSA-N 0 0 339.420 4.026 50 0 EIAARN O=C(COc1ccccc1Cl)Nc1ccccc1C(F)(F)F ZINC000002172818 258049606 /nfs/dbraw/zinc/04/96/06/258049606.db2.gz SOYOPPQBMLGNJK-UHFFFAOYSA-N 0 0 329.705 4.376 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000007975842 258053292 /nfs/dbraw/zinc/05/32/92/258053292.db2.gz GFBSBQXKHJKNMD-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1 ZINC000012878618 258055424 /nfs/dbraw/zinc/05/54/24/258055424.db2.gz MLWUVYLPFSPDLP-UHFFFAOYSA-N 0 0 328.418 4.327 50 0 EIAARN COC(=O)c1cccc(OCc2ncc(-c3cccc(Cl)c3)o2)c1 ZINC000012875059 258055491 /nfs/dbraw/zinc/05/54/91/258055491.db2.gz YTXBJIPOFZLYSB-UHFFFAOYSA-N 0 0 343.766 4.361 50 0 EIAARN O=C(NCCc1c[nH]c(-c2ccccc2)n1)c1ccc2ccccc2c1 ZINC000013592512 258056108 /nfs/dbraw/zinc/05/61/08/258056108.db2.gz DTAYMUBEUZRNPZ-UHFFFAOYSA-N 0 0 341.414 4.202 50 0 EIAARN O=C(Nc1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014002798 258056396 /nfs/dbraw/zinc/05/63/96/258056396.db2.gz OPIJPZOPNKIGJM-UHFFFAOYSA-N 0 0 337.423 4.347 50 0 EIAARN Cc1c(C(=O)Nc2ccccc2Oc2ccccc2Cl)cnn1C ZINC000032882195 258059100 /nfs/dbraw/zinc/05/91/00/258059100.db2.gz JNKWVXHHUJOGRU-UHFFFAOYSA-N 0 0 341.798 4.427 50 0 EIAARN CSc1cc(C(=O)OCc2coc(-c3ccccc3)n2)ccc1N ZINC000032885768 258059144 /nfs/dbraw/zinc/05/91/44/258059144.db2.gz UIVDGTNVQVGTRU-UHFFFAOYSA-N 0 0 340.404 4.003 50 0 EIAARN CC(C)OC(=O)CCNC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000057594762 258061773 /nfs/dbraw/zinc/06/17/73/258061773.db2.gz USUDKQMZNRUKPC-UHFFFAOYSA-N 0 0 340.379 4.049 50 0 EIAARN Cc1csc(C2(NC(=O)Nc3ccc(N(C)C)c(C)c3)CCC2)n1 ZINC000072313559 258064706 /nfs/dbraw/zinc/06/47/06/258064706.db2.gz PDKZDLSOQRAIOZ-UHFFFAOYSA-N 0 0 344.484 4.027 50 0 EIAARN Cc1cc(-c2csc(C3CC3)n2)c(C)n1NC(=O)c1ccccc1 ZINC000089578014 258066192 /nfs/dbraw/zinc/06/61/92/258066192.db2.gz KZVZJJMOTUNKJO-UHFFFAOYSA-N 0 0 337.448 4.490 50 0 EIAARN C[C@@H](N[C@@H](C)c1nnnn1-c1ccccc1)c1cc2ccccc2s1 ZINC000184367530 533510155 /nfs/dbraw/zinc/51/01/55/533510155.db2.gz MCGHRLKZGQDIDU-KGLIPLIRSA-N 0 0 349.463 4.289 50 0 EIAARN Cc1ccc(C(=O)C2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000054124135 132189653 /nfs/dbraw/zinc/18/96/53/132189653.db2.gz MVUOLILDWUBBBT-UHFFFAOYSA-N 0 0 337.448 4.099 50 0 EIAARN CCOc1ccccc1N1CCN(Cc2ccccc2Cl)CC1 ZINC000055542892 132195379 /nfs/dbraw/zinc/19/53/79/132195379.db2.gz YBRSKUJQOBWWSL-UHFFFAOYSA-N 0 0 330.859 4.061 50 0 EIAARN Cc1nc(-c2ccccn2)nc(N2CCc3ccccc3C2)c1Cl ZINC000035606146 132390020 /nfs/dbraw/zinc/39/00/20/132390020.db2.gz KOZMATJQHBEBIR-UHFFFAOYSA-N 0 0 336.826 4.063 50 0 EIAARN Cc1cccc(CN2CCN(c3ccc(C(C)C)cc3)C(=O)[C@H]2C)c1 ZINC000037275550 132392677 /nfs/dbraw/zinc/39/26/77/132392677.db2.gz QGFBKNCAUHVXPG-GOSISDBHSA-N 0 0 336.479 4.356 50 0 EIAARN Fc1ccccc1N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000000106819 135644680 /nfs/dbraw/zinc/64/46/80/135644680.db2.gz OWNDPKJGUDTIPW-UHFFFAOYSA-N 0 0 339.439 4.276 50 0 EIAARN O=C1CSc2ccc(C(F)(F)F)cc2N1Cc1ccc(F)cc1 ZINC000000170101 135646247 /nfs/dbraw/zinc/64/62/47/135646247.db2.gz XMBNTKZRJGDMDM-UHFFFAOYSA-N 0 0 341.329 4.483 50 0 EIAARN Cc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000276872 135648096 /nfs/dbraw/zinc/64/80/96/135648096.db2.gz VPGAMTLHUMALFM-UHFFFAOYSA-N 0 0 334.385 4.336 50 0 EIAARN CC1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000000558371 135652688 /nfs/dbraw/zinc/65/26/88/135652688.db2.gz IEKPIIBVZKPRHN-UHFFFAOYSA-N 0 0 335.662 4.232 50 0 EIAARN O=C(CSc1ccc2ccccc2n1)N1CCCc2ccccc21 ZINC000005627411 135672412 /nfs/dbraw/zinc/67/24/12/135672412.db2.gz FZZUYBVBHUMJED-UHFFFAOYSA-N 0 0 334.444 4.306 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000006302619 135674127 /nfs/dbraw/zinc/67/41/27/135674127.db2.gz YGDPHUAUWRDOTM-UHFFFAOYSA-N 0 0 349.434 4.240 50 0 EIAARN Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)C[C@@H]2C)cc1 ZINC000013321110 135700072 /nfs/dbraw/zinc/70/00/72/135700072.db2.gz SXQWJZUKVIVPPR-AWEZNQCLSA-N 0 0 346.833 4.138 50 0 EIAARN CCCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cs1 ZINC000013331993 135700804 /nfs/dbraw/zinc/70/08/04/135700804.db2.gz SBBBRJJWTUZFAR-UHFFFAOYSA-N 0 0 342.508 4.280 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)c2)no1 ZINC000158465870 225020777 /nfs/dbraw/zinc/02/07/77/225020777.db2.gz KXJQEQFYCSPFKY-ACJLOTCBSA-N 0 0 348.406 4.270 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]34C)OCCO5)[C@H]1CC[C@H]2O ZINC000245239154 262514858 /nfs/dbraw/zinc/51/48/58/262514858.db2.gz FYVKKXPWOJKVKR-JXUVHZKSSA-N 0 0 334.500 4.133 50 0 EIAARN C[C@H](Nc1cc(Cl)cc2c1OCC2)c1nnc(-c2ccccc2)o1 ZINC000164402648 534018441 /nfs/dbraw/zinc/01/84/41/534018441.db2.gz IYBREVLNLHXQQA-NSHDSACASA-N 0 0 341.798 4.498 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OCc2ccncc2)c(F)c1 ZINC000032450184 518189361 /nfs/dbraw/zinc/18/93/61/518189361.db2.gz URRTUBWPQFPDEX-UHFFFAOYSA-N 0 0 336.366 4.360 50 0 EIAARN O=C(Cc1noc2ccccc21)Nc1ccccc1N1CCCCCC1 ZINC000029847922 518199195 /nfs/dbraw/zinc/19/91/95/518199195.db2.gz MJJGGSSCFXICSQ-UHFFFAOYSA-N 0 0 349.434 4.389 50 0 EIAARN CC(=O)Nc1cc(NC(=O)N(C)[C@H]2[C@H](C)CCC[C@@H]2C)ccc1C ZINC000252474905 519705389 /nfs/dbraw/zinc/70/53/89/519705389.db2.gz OKTBMLZBBRSDEU-UOIKSKOESA-N 0 0 331.460 4.242 50 0 EIAARN CCCc1nc([C@H](Nc2nc3ccccc3o2)c2ccccc2)no1 ZINC000079111659 521540210 /nfs/dbraw/zinc/54/02/10/521540210.db2.gz PIEGBCFCZMGETB-QGZVFWFLSA-N 0 0 334.379 4.365 50 0 EIAARN C[C@@H](C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccnc1 ZINC000241301061 524241652 /nfs/dbraw/zinc/24/16/52/524241652.db2.gz LPZYWAYLIYLJKN-SRCQZFHVSA-N 0 0 348.368 4.266 50 0 EIAARN CC(=O)O[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccc(C)cc21 ZINC000004603728 534779110 /nfs/dbraw/zinc/77/91/10/534779110.db2.gz LRROHALQWBUVAI-YJYMSZOUSA-N 0 0 341.382 4.177 50 0 EIAARN O=C(O[C@H](c1ccncc1)c1ccc(F)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246618779 526435722 /nfs/dbraw/zinc/43/57/22/526435722.db2.gz XMIBVQJCQHXWIX-MANSERQUSA-N 0 0 325.383 4.290 50 0 EIAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2cccs2)s1 ZINC000028908855 526567352 /nfs/dbraw/zinc/56/73/52/526567352.db2.gz LFJJQECKSMPDPB-UHFFFAOYSA-N 0 0 342.489 4.347 50 0 EIAARN CC(C)(C)c1cnc(CCC(=O)N2CCC[C@H]2c2cccc(F)c2)o1 ZINC000186988740 526816928 /nfs/dbraw/zinc/81/69/28/526816928.db2.gz YPVPUEICYKMFKD-INIZCTEOSA-N 0 0 344.430 4.408 50 0 EIAARN CC1CCC(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)CC1 ZINC000155097933 528166261 /nfs/dbraw/zinc/16/62/61/528166261.db2.gz ZEAWTNWYAQEEHG-UHFFFAOYSA-N 0 0 338.455 4.046 50 0 EIAARN CCOC(=O)c1cnc2c(Br)c(C)ccc2c1Cl ZINC000131836222 528304534 /nfs/dbraw/zinc/30/45/34/528304534.db2.gz DKAGIUYHZICIAY-UHFFFAOYSA-N 0 0 328.593 4.136 50 0 EIAARN CCCn1nc(C)c(C(=O)N[C@H](C)c2oc3ccccc3c2C)c1C ZINC000164157799 528874106 /nfs/dbraw/zinc/87/41/06/528874106.db2.gz KOJLICAMLWFTQE-CQSZACIVSA-N 0 0 339.439 4.456 50 0 EIAARN CC(C)(C)c1cc(COC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)no1 ZINC000225855454 535107793 /nfs/dbraw/zinc/10/77/93/535107793.db2.gz BTFOPDJGCRJGCN-NWDGAFQWSA-N 0 0 335.350 4.097 50 0 EIAARN CC1CCN(c2nnc(C(=O)Nc3ccccc3)c3ccccc32)CC1 ZINC000034837784 535287011 /nfs/dbraw/zinc/28/70/11/535287011.db2.gz NHQGLDJVDRKBHU-UHFFFAOYSA-N 0 0 346.434 4.118 50 0 EIAARN CCOc1ccc([C@H](CC)NC(=O)c2ccc(COC)s2)cc1 ZINC000215511821 535421250 /nfs/dbraw/zinc/42/12/50/535421250.db2.gz IKJNIXYSHPUXNN-INIZCTEOSA-N 0 0 333.453 4.174 50 0 EIAARN CCNc1ccc(Cl)cc1C(=O)N1CCC(c2nccs2)CC1 ZINC000253427817 535524496 /nfs/dbraw/zinc/52/44/96/535524496.db2.gz DZTHKHLEYNJUSH-UHFFFAOYSA-N 0 0 349.887 4.248 50 0 EIAARN CC[C@@H](NC(=O)c1ccccc1OC(F)F)c1nc(C)c(C)s1 ZINC000222925568 535800960 /nfs/dbraw/zinc/80/09/60/535800960.db2.gz RCMVJNVDDKVTLZ-GFCCVEGCSA-N 0 0 340.395 4.242 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1sccc1-c1nc(C)no1 ZINC000225659270 536549305 /nfs/dbraw/zinc/54/93/05/536549305.db2.gz UYWBKQUXPQMOGB-UHFFFAOYSA-N 0 0 349.799 4.021 50 0 EIAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 ZINC000000104484 536666813 /nfs/dbraw/zinc/66/68/13/536666813.db2.gz YJNKDFDUTXAYNJ-HXUWFJFHSA-N 0 0 330.387 4.466 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000007053146 563594234 /nfs/dbraw/zinc/59/42/34/563594234.db2.gz DQVADEIJZPZAOG-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN COc1cccc(NC(=O)Nc2ccc(Br)cc2F)c1 ZINC000002857739 564013443 /nfs/dbraw/zinc/01/34/43/564013443.db2.gz JASHSXQSSNYHJZ-UHFFFAOYSA-N 0 0 339.164 4.241 50 0 EIAARN NC(=O)c1cccc(CSc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000047438346 564026301 /nfs/dbraw/zinc/02/63/01/564026301.db2.gz ZIGJQZQPHVHQEP-UHFFFAOYSA-N 0 0 346.761 4.145 50 0 EIAARN CC(C)Nc1cc(F)ccc1NC(=O)c1occc1Br ZINC000081782602 564051376 /nfs/dbraw/zinc/05/13/76/564051376.db2.gz IRUNFDBLMBARHC-UHFFFAOYSA-N 0 0 341.180 4.254 50 0 EIAARN O=C(NCCC1=CCCCC1)c1cc(Br)ccc1F ZINC000025183922 564053779 /nfs/dbraw/zinc/05/37/79/564053779.db2.gz ZOYDBTHAUKHNPS-UHFFFAOYSA-N 0 0 326.209 4.209 50 0 EIAARN Fc1cc(Br)c(OC(F)(F)F)cc1Br ZINC000263625373 564056484 /nfs/dbraw/zinc/05/64/84/564056484.db2.gz ZHLYLBPCOYPKRE-UHFFFAOYSA-N 0 0 337.892 4.249 50 0 EIAARN O=C(Nc1ccc(Br)cc1C(F)(F)F)c1ccncc1 ZINC000084339177 564067860 /nfs/dbraw/zinc/06/78/60/564067860.db2.gz FNNYYOMZDKIUNS-UHFFFAOYSA-N 0 0 345.118 4.115 50 0 EIAARN COc1ccc(Br)cc1NC(=O)c1c(C)cccc1C ZINC000074721757 564079005 /nfs/dbraw/zinc/07/90/05/564079005.db2.gz VQFBZTLVCDJERW-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1 ZINC000013745358 564111979 /nfs/dbraw/zinc/11/19/79/564111979.db2.gz MMYRLYQPHRURQE-LLVKDONJSA-N 0 0 349.228 4.340 50 0 EIAARN CC(C)(C)C[C@@H](NC(=O)Cc1ccc(O)cc1Cl)C(F)(F)F ZINC000095994608 564144212 /nfs/dbraw/zinc/14/42/12/564144212.db2.gz XWEUFOJVCVFHJT-GFCCVEGCSA-N 0 0 337.769 4.071 50 0 EIAARN Cc1cnc(NC(=O)c2c(F)cccc2Cl)c(Br)c1 ZINC000000147283 563244738 /nfs/dbraw/zinc/24/47/38/563244738.db2.gz HLYLNHHUGRGPQM-UHFFFAOYSA-N 0 0 343.583 4.197 50 0 EIAARN CCCCC(=O)Nc1cccc(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000002833004 563453600 /nfs/dbraw/zinc/45/36/00/563453600.db2.gz OWRDBZQVMUSNHZ-UHFFFAOYSA-N 0 0 337.634 4.124 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 ZINC000000038442 563212309 /nfs/dbraw/zinc/21/23/09/563212309.db2.gz SIXNEKYYXQKAFC-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CC(C)NC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000000077711 563217596 /nfs/dbraw/zinc/21/75/96/563217596.db2.gz ZFYOLAGNXGODPK-UHFFFAOYSA-N 0 0 329.347 4.359 50 0 EIAARN COc1nccc(C(F)(F)F)c1C(=O)Nc1ccc(Cl)cc1 ZINC000000078113 563217820 /nfs/dbraw/zinc/21/78/20/563217820.db2.gz PTIKRRAXGXNRTQ-UHFFFAOYSA-N 0 0 330.693 4.015 50 0 EIAARN CCOC(=O)c1sc2ncnc(Nc3ccc(C)cc3)c2c1C ZINC000000098348 563224933 /nfs/dbraw/zinc/22/49/33/563224933.db2.gz CLDHQOVMQCROQN-UHFFFAOYSA-N 0 0 327.409 4.228 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1C ZINC000000098185 563224957 /nfs/dbraw/zinc/22/49/57/563224957.db2.gz SEXLPPIWECPESM-UHFFFAOYSA-N 0 0 325.408 4.369 50 0 EIAARN O=C1CCCCCN1Sc1c(-c2ccccc2)nc2sccn21 ZINC000000101719 563226280 /nfs/dbraw/zinc/22/62/80/563226280.db2.gz GBBJELJBXGBMRC-UHFFFAOYSA-N 0 0 343.477 4.473 50 0 EIAARN O=C1C[C@@H](c2ccccc2Br)c2cc3c(cc2N1)CCC3 ZINC000000107509 563228602 /nfs/dbraw/zinc/22/86/02/563228602.db2.gz QTENOYQQWACHHU-AWEZNQCLSA-N 0 0 342.236 4.412 50 0 EIAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Oc1ccccc1 ZINC000000116200 563231868 /nfs/dbraw/zinc/23/18/68/563231868.db2.gz CEOYMKMBRSASDE-UHFFFAOYSA-N 0 0 347.392 4.047 50 0 EIAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000000123189 563235397 /nfs/dbraw/zinc/23/53/97/563235397.db2.gz LIFCXMXVGPATSI-UHFFFAOYSA-N 0 0 336.627 4.448 50 0 EIAARN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000000124138 563235875 /nfs/dbraw/zinc/23/58/75/563235875.db2.gz IZNUTHLWDUEHJW-UHFFFAOYSA-N 0 0 349.839 4.319 50 0 EIAARN CSc1sc(-c2ccn(C(C)=O)n2)c2c1C(=O)CC(C)(C)C2 ZINC000000125544 563236558 /nfs/dbraw/zinc/23/65/58/563236558.db2.gz JQUJTHQSFVWZEH-UHFFFAOYSA-N 0 0 334.466 4.149 50 0 EIAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2 ZINC000000127230 563236924 /nfs/dbraw/zinc/23/69/24/563236924.db2.gz LCAUWWRMZPIUDN-UHFFFAOYSA-N 0 0 348.855 4.491 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000000127467 563237239 /nfs/dbraw/zinc/23/72/39/563237239.db2.gz OVEZUDMTMBOSLP-GFCCVEGCSA-N 0 0 343.448 4.302 50 0 EIAARN CCCN(CCC)C(=O)c1c2c(sc1NC(C)=O)CCCCC2 ZINC000000130302 563238422 /nfs/dbraw/zinc/23/84/22/563238422.db2.gz RNFLBZGXXDZDHR-UHFFFAOYSA-N 0 0 336.501 4.238 50 0 EIAARN CC(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 ZINC000000133566 563239454 /nfs/dbraw/zinc/23/94/54/563239454.db2.gz BKVBFAVODRCPKK-UHFFFAOYSA-N 0 0 325.408 4.204 50 0 EIAARN Cc1ccc(C)c(NC(=O)COc2ccccc2Br)c1 ZINC000000141179 563242237 /nfs/dbraw/zinc/24/22/37/563242237.db2.gz YIHUKPHFQDKOPT-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nnc(C(C)C)s1 ZINC000000148444 563245161 /nfs/dbraw/zinc/24/51/61/563245161.db2.gz XTZMVPYHODHPIW-JTQLQIEISA-N 0 0 339.848 4.029 50 0 EIAARN O=C1CS[C@@H](c2ccc(Br)cc2)N1C1CCCCC1 ZINC000000180290 563254085 /nfs/dbraw/zinc/25/40/85/563254085.db2.gz WHNJIQGQJDOJBK-HNNXBMFYSA-N 0 0 340.286 4.356 50 0 EIAARN Cc1ccc([C@H]2CC(=O)c3cnc(NCc4ccccc4)nc3C2)cc1 ZINC000000193870 563257332 /nfs/dbraw/zinc/25/73/32/563257332.db2.gz POMFVZAPCIARRL-GOSISDBHSA-N 0 0 343.430 4.310 50 0 EIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](C)S[C@@H]2c2ccccc2)cc1 ZINC000000205691 563259811 /nfs/dbraw/zinc/25/98/11/563259811.db2.gz BHAVOXLQOYWZIO-FZKQIMNGSA-N 0 0 341.432 4.030 50 0 EIAARN COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000000205879 563259828 /nfs/dbraw/zinc/25/98/28/563259828.db2.gz KFSBQJHFBFQSQT-SJORKVTESA-N 0 0 340.814 4.086 50 0 EIAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](C)S[C@H]2c2ccccc2)cc1 ZINC000000205694 563259854 /nfs/dbraw/zinc/25/98/54/563259854.db2.gz BHAVOXLQOYWZIO-ACJLOTCBSA-N 0 0 341.432 4.030 50 0 EIAARN FC(F)(F)c1cc(-c2ccco2)nc(NCc2cccs2)n1 ZINC000000213249 563261448 /nfs/dbraw/zinc/26/14/48/563261448.db2.gz JBYLXXPLZBHCAH-UHFFFAOYSA-N 0 0 325.315 4.429 50 0 EIAARN O=C(c1ccc2c(c1)OCO2)N(Cc1ccccc1)Cc1ccccc1 ZINC000000214390 563261501 /nfs/dbraw/zinc/26/15/01/563261501.db2.gz QATGAJKFEGQIIS-UHFFFAOYSA-N 0 0 345.398 4.258 50 0 EIAARN Nc1ccc2oc(-c3ccc(-c4nc5cc(N)ccc5o4)cc3)nc2c1 ZINC000000236193 563264103 /nfs/dbraw/zinc/26/41/03/563264103.db2.gz DIXHWJYQQGNWTI-UHFFFAOYSA-N 0 0 342.358 4.467 50 0 EIAARN O[C@@H]1CCCC[C@@H]1C1(NC(=S)Nc2ccccc2)CCCCC1 ZINC000000267939 563269274 /nfs/dbraw/zinc/26/92/74/563269274.db2.gz PTBLMHUNNYYRFT-DLBZAZTESA-N 0 0 332.513 4.227 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000000278964 563271570 /nfs/dbraw/zinc/27/15/70/563271570.db2.gz JCDXHSKKDLYIAT-UHFFFAOYSA-N 0 0 329.359 4.071 50 0 EIAARN O=C(Cc1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000292554 563273960 /nfs/dbraw/zinc/27/39/60/563273960.db2.gz IRNARQVVSFDGPQ-UHFFFAOYSA-N 0 0 327.387 4.411 50 0 EIAARN Fc1cccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)c1 ZINC000000300010 563275665 /nfs/dbraw/zinc/27/56/65/563275665.db2.gz FLUMIAOKKHCCFW-UHFFFAOYSA-N 0 0 331.354 4.212 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)n1cnc2cc(C)c(C)cc21 ZINC000000303348 563276804 /nfs/dbraw/zinc/27/68/04/563276804.db2.gz YBVBVVFVNKLFOQ-UHFFFAOYSA-N 0 0 331.375 4.305 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C)n1 ZINC000000304226 563277074 /nfs/dbraw/zinc/27/70/74/563277074.db2.gz WQVVIQIDEQGBEG-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OCC ZINC000000304160 563277143 /nfs/dbraw/zinc/27/71/43/563277143.db2.gz JBCOUUCDWAITQK-MRXNPFEDSA-N 0 0 341.451 4.235 50 0 EIAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)nc3ccccc32)cc1 ZINC000000308335 563278774 /nfs/dbraw/zinc/27/87/74/563278774.db2.gz ULQFPEMJHTVCCE-OAHLLOKOSA-N 0 0 333.387 4.280 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000000317611 563283420 /nfs/dbraw/zinc/28/34/20/563283420.db2.gz HWRKYYFXRSJTHP-UHFFFAOYSA-N 0 0 346.814 4.014 50 0 EIAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Cl)cc1 ZINC000000328315 563284671 /nfs/dbraw/zinc/28/46/71/563284671.db2.gz UMNNFZCODSZUSX-UHFFFAOYSA-N 0 0 340.762 4.154 50 0 EIAARN CCN(CC)c1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 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CC[C@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccccc1 ZINC000000363223 563294777 /nfs/dbraw/zinc/29/47/77/563294777.db2.gz ZCFSFLGJXDDBTA-ZDUSSCGKSA-N 0 0 333.815 4.490 50 0 EIAARN CCOC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000000365611 563296159 /nfs/dbraw/zinc/29/61/59/563296159.db2.gz QRRLKWBUROOTFJ-DHZHZOJOSA-N 0 0 329.783 4.169 50 0 EIAARN CC(C)Cc1ccc2c(N)c(C(=O)Nc3ccccc3)sc2n1 ZINC000000367199 563296599 /nfs/dbraw/zinc/29/65/99/563296599.db2.gz LGEGNNVLZIAEDU-UHFFFAOYSA-N 0 0 325.437 4.329 50 0 EIAARN Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccc(Br)cc2)c1 ZINC000000370689 563297425 /nfs/dbraw/zinc/29/74/25/563297425.db2.gz WILHWLIYWSUAKH-CQSZACIVSA-N 0 0 346.268 4.486 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1Cl ZINC000000370732 563297465 /nfs/dbraw/zinc/29/74/65/563297465.db2.gz PZSXEAMCFUOFNM-ZDUSSCGKSA-N 0 0 332.831 4.120 50 0 EIAARN Cc1cccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1C ZINC000000374253 563298428 /nfs/dbraw/zinc/29/84/28/563298428.db2.gz KKYXKLJAXOBYRQ-UHFFFAOYSA-N 0 0 337.345 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ZINC000001796853 563412562 /nfs/dbraw/zinc/41/25/62/563412562.db2.gz YMJMFVBYCYLFJZ-UHFFFAOYSA-N 0 0 345.402 4.351 50 0 EIAARN O=C(CCCCC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000001807198 563413083 /nfs/dbraw/zinc/41/30/83/563413083.db2.gz OTKGPFNHHGJECN-UHFFFAOYSA-N 0 0 332.350 4.102 50 0 EIAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2Cl)c1 ZINC000002053736 563420172 /nfs/dbraw/zinc/42/01/72/563420172.db2.gz VXANRRUMJNZKEN-UHFFFAOYSA-N 0 0 348.855 4.256 50 0 EIAARN Cc1cc(C)c2c(nn3c2nc(C)cc3N[C@H](C)c2ccccc2)n1 ZINC000002326791 563429372 /nfs/dbraw/zinc/42/93/72/563429372.db2.gz RUQYGQDMFFXNHA-OAHLLOKOSA-N 0 0 331.423 4.376 50 0 EIAARN COc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 ZINC000002365646 563430582 /nfs/dbraw/zinc/43/05/82/563430582.db2.gz XIZHTVBHGRHLID-UHFFFAOYSA-N 0 0 345.855 4.436 50 0 EIAARN COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl ZINC000002512927 563435211 /nfs/dbraw/zinc/43/52/11/563435211.db2.gz IZGOBGVYADHVKH-UHFFFAOYSA-N 0 0 349.177 4.041 50 0 in-vitro EIAARN O=C(c1cccc(CN2CCSCC2)c1)c1ccc(Cl)cc1F ZINC000002515305 563436337 /nfs/dbraw/zinc/43/63/37/563436337.db2.gz GJQUGOCWRXMJKI-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN CC(=O)Oc1ccc(-c2cc3ccc(OC(C)=O)cc3s2)cc1 ZINC000002524879 563439027 /nfs/dbraw/zinc/43/90/27/563439027.db2.gz IMFDWSXWQJFLLZ-UHFFFAOYSA-N 0 0 326.373 4.419 50 0 EIAARN CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(OC)c2)C1 ZINC000002558462 563441162 /nfs/dbraw/zinc/44/11/62/563441162.db2.gz BIUSQWHQAXSDMA-NSHDSACASA-N 0 0 330.453 4.106 50 0 EIAARN COc1cccc(NC(=O)c2c(N)sc3c2CCCCCC3)c1 ZINC000002558520 563441189 /nfs/dbraw/zinc/44/11/89/563441189.db2.gz NHJCPOBRZVCUMZ-UHFFFAOYSA-N 0 0 330.453 4.250 50 0 EIAARN COc1ccc(Cn2c(C)cc3c2CC(C)(C)CC3=O)cc1OC ZINC000002562135 563441923 /nfs/dbraw/zinc/44/19/23/563441923.db2.gz VTOCYJQHRNFMGM-UHFFFAOYSA-N 0 0 327.424 4.017 50 0 EIAARN CCOC(=O)c1sc(=S)n(-c2ccc(Cl)c(Cl)c2)c1N ZINC000002576546 563442886 /nfs/dbraw/zinc/44/28/86/563442886.db2.gz XIQXCLCXXOGZEX-UHFFFAOYSA-N 0 0 349.264 4.334 50 0 EIAARN Fc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 ZINC000002590530 563443602 /nfs/dbraw/zinc/44/36/02/563443602.db2.gz XKQZWFKOUOFVMD-HNNXBMFYSA-N 0 0 327.750 4.118 50 0 EIAARN S=C(NC[C@H]1CCCO1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002858131 563456802 /nfs/dbraw/zinc/45/68/02/563456802.db2.gz CLKQVGWEIQPDRP-SSDOTTSWSA-N 0 0 339.675 4.112 50 0 EIAARN CCc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1 ZINC000002713325 563446609 /nfs/dbraw/zinc/44/66/09/563446609.db2.gz TUKDUIYHODMUCS-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN CCCCCn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 ZINC000002721456 563447023 /nfs/dbraw/zinc/44/70/23/563447023.db2.gz RLUVPTIDWKNQRP-UHFFFAOYSA-N 0 0 349.478 4.128 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000002743473 563448059 /nfs/dbraw/zinc/44/80/59/563448059.db2.gz CTQLVQNYETUSGU-UHFFFAOYSA-N 0 0 334.366 4.387 50 0 EIAARN CCc1c(C)scc1C(=O)N1CCN(c2ccc(C)cc2)[C@H](C)C1 ZINC000002754999 563449122 /nfs/dbraw/zinc/44/91/22/563449122.db2.gz DNHFKKTWSCHJFI-OAHLLOKOSA-N 0 0 342.508 4.278 50 0 EIAARN CC(C)CCNC(=O)c1csc(-c2cccc(OC(C)C)c2)n1 ZINC000034712796 563451155 /nfs/dbraw/zinc/45/11/55/563451155.db2.gz TVPGUNGRSCIYJF-UHFFFAOYSA-N 0 0 332.469 4.373 50 0 EIAARN CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1 ZINC000002827909 563453315 /nfs/dbraw/zinc/45/33/15/563453315.db2.gz AKQHMZBAMLMVPJ-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN S=C(c1ccc(OCCOc2ccccc2)cc1)N1CCCCC1 ZINC000002845827 563455384 /nfs/dbraw/zinc/45/53/84/563455384.db2.gz DZJXPDOBWZNDQU-UHFFFAOYSA-N 0 0 341.476 4.306 50 0 EIAARN Cc1ccccc1OCC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000002849717 563455609 /nfs/dbraw/zinc/45/56/09/563455609.db2.gz ZCNVZAQYODCXLM-UHFFFAOYSA-N 0 0 345.398 4.244 50 0 EIAARN CCCOc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000002849990 563455650 /nfs/dbraw/zinc/45/56/50/563455650.db2.gz OARJGDKIMKDMDJ-ATVHPVEESA-N 0 0 341.794 4.473 50 0 EIAARN CCc1cc(OCCCn2cnc3ccccc3c2=O)ccc1Cl ZINC000002862816 563457473 /nfs/dbraw/zinc/45/74/73/563457473.db2.gz ASZZGPPPNIOKIY-UHFFFAOYSA-N 0 0 342.826 4.081 50 0 EIAARN CCCCOc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1 ZINC000002870306 563459061 /nfs/dbraw/zinc/45/90/61/563459061.db2.gz CVKPRILDEIDMHN-UHFFFAOYSA-N 0 0 341.451 4.291 50 0 biogenic EIAARN CCOCCOc1cccc(C(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC000002885239 563461748 /nfs/dbraw/zinc/46/17/48/563461748.db2.gz VGDIEAZXLQNTRR-FQEVSTJZSA-N 0 0 341.451 4.229 50 0 EIAARN COc1ccccc1OCCCOc1cccc(Br)c1 ZINC000002983568 563465828 /nfs/dbraw/zinc/46/58/28/563465828.db2.gz KFPHGIPCXBEPQY-UHFFFAOYSA-N 0 0 337.213 4.306 50 0 EIAARN COc1cc(C=O)ccc1OCCOc1c(C)cc(Cl)cc1C ZINC000002984215 563466325 /nfs/dbraw/zinc/46/63/25/563466325.db2.gz QZPPQJVJLFQHHD-UHFFFAOYSA-N 0 0 334.799 4.236 50 0 EIAARN CCOc1ccccc1OCCOCCOc1cccc(Cl)c1 ZINC000002985337 563466897 /nfs/dbraw/zinc/46/68/97/563466897.db2.gz PDTNTWYUOQQIBE-UHFFFAOYSA-N 0 0 336.815 4.213 50 0 EIAARN CCOc1ccc(OCCOCCOc2cccc(Cl)c2)cc1 ZINC000002991093 563467819 /nfs/dbraw/zinc/46/78/19/563467819.db2.gz BXOSGXKEFGUBLM-UHFFFAOYSA-N 0 0 336.815 4.213 50 0 EIAARN O=C1c2ccc(Cl)cc2C(=O)N1c1ccccc1C(F)(F)F ZINC000003100118 563472039 /nfs/dbraw/zinc/47/20/39/563472039.db2.gz CQDAIFIQRITFKQ-UHFFFAOYSA-N 0 0 325.673 4.159 50 0 EIAARN Cc1ccc(NC(=O)c2cn3c(n2)CC[C@H](c2ccccc2)C3)cc1 ZINC000034839896 563478903 /nfs/dbraw/zinc/47/89/03/563478903.db2.gz BCMQIQNWGPOWRV-KRWDZBQOSA-N 0 0 331.419 4.174 50 0 EIAARN CCc1[nH]nc(-c2ccccc2OC)c1NC(=O)C1CCCCC1 ZINC000034796263 563480540 /nfs/dbraw/zinc/48/05/40/563480540.db2.gz JOEHHJNDKAOVQS-UHFFFAOYSA-N 0 0 327.428 4.167 50 0 EIAARN CCc1[nH]nc(-c2cccs2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000034796461 563480610 /nfs/dbraw/zinc/48/06/10/563480610.db2.gz KPUBSQLREVNOSI-UHFFFAOYSA-N 0 0 333.363 4.231 50 0 EIAARN CCc1cc(NC(=O)c2ccccc2F)nn1-c1ccc(Cl)cc1 ZINC000034907360 563481893 /nfs/dbraw/zinc/48/18/93/563481893.db2.gz NAWVBHJJEMRDRF-UHFFFAOYSA-N 0 0 343.789 4.480 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Cl)nc2)nn1-c1ccc(Cl)cc1 ZINC000034907558 563482017 /nfs/dbraw/zinc/48/20/17/563482017.db2.gz VHKYLFZLJGJCIS-UHFFFAOYSA-N 0 0 347.205 4.135 50 0 EIAARN CCCn1nc(-c2cccc(F)c2)cc1C(=O)Nc1ccc(F)cc1 ZINC000034902794 563483997 /nfs/dbraw/zinc/48/39/97/563483997.db2.gz BWWKZFJNSJMVTA-UHFFFAOYSA-N 0 0 341.361 4.491 50 0 EIAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C2CCC2)cc1 ZINC000034912781 563484888 /nfs/dbraw/zinc/48/48/88/563484888.db2.gz WEBRNJVNKQFGIT-UHFFFAOYSA-N 0 0 335.407 4.057 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1C ZINC000003481980 563485499 /nfs/dbraw/zinc/48/54/99/563485499.db2.gz ZQALDKQBDLEMOK-GOSISDBHSA-N 0 0 325.408 4.114 50 0 EIAARN CSCc1nc(CNC(=O)N2CCC[C@H]2c2ccccc2)cs1 ZINC000584904093 563487380 /nfs/dbraw/zinc/48/73/80/563487380.db2.gz CSOCDUPGUXINLF-HNNXBMFYSA-N 0 0 347.509 4.053 50 0 EIAARN CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)c(C)c1 ZINC000004310984 563499689 /nfs/dbraw/zinc/49/96/89/563499689.db2.gz KIDCKXHFAZDGNI-UHFFFAOYSA-N 0 0 334.419 4.006 50 0 EIAARN O=C(c1sc2ccccc2c1Cl)N1CC(=O)Nc2ccccc21 ZINC000004727429 563509280 /nfs/dbraw/zinc/50/92/80/563509280.db2.gz CXBWSPAHSANJFY-UHFFFAOYSA-N 0 0 342.807 4.154 50 0 EIAARN Cc1ccccc1NC(=O)CSc1ncnc2c3ccccc3oc21 ZINC000005163774 563521754 /nfs/dbraw/zinc/52/17/54/563521754.db2.gz HJKIUUIYDWPUEJ-UHFFFAOYSA-N 0 0 349.415 4.415 50 0 EIAARN O=c1[nH]c(-c2cc(Br)cs2)nc2ccc(Cl)cc12 ZINC000005177894 563522163 /nfs/dbraw/zinc/52/21/63/563522163.db2.gz UWYONVIQOHFPEK-UHFFFAOYSA-N 0 0 341.617 4.068 50 0 EIAARN Cc1c(C)n(Cc2ccccc2)c2ncnc(Nc3nccs3)c12 ZINC000005347471 563527905 /nfs/dbraw/zinc/52/79/05/563527905.db2.gz JJSFEHSHYPHDEI-UHFFFAOYSA-N 0 0 335.436 4.297 50 0 EIAARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc3ccccc32)cc1 ZINC000005545807 563538350 /nfs/dbraw/zinc/53/83/50/563538350.db2.gz UIHDWDWOZXUPIA-HNNXBMFYSA-N 0 0 325.433 4.188 50 0 EIAARN CCc1cccc(C)c1NC(=O)COc1cccc(Br)c1 ZINC000005658534 563544119 /nfs/dbraw/zinc/54/41/19/563544119.db2.gz OFVJVBIYXQPQMM-UHFFFAOYSA-N 0 0 348.240 4.337 50 0 EIAARN CCc1cc(C)cc(OCC2N=NC(=S)N2c2ccccc2)c1 ZINC000005686743 563545537 /nfs/dbraw/zinc/54/55/37/563545537.db2.gz BKKWJVRBKCXDMO-UHFFFAOYSA-N 0 0 325.437 4.006 50 0 EIAARN Cc1ccc(N[C@@H](C)c2ccccc2Cl)cc1NS(C)(=O)=O ZINC000071902607 563555462 /nfs/dbraw/zinc/55/54/62/563555462.db2.gz APFTUGUGNBOGAB-LBPRGKRZSA-N 0 0 338.860 4.193 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1 ZINC000006010570 563556902 /nfs/dbraw/zinc/55/69/02/563556902.db2.gz JDZAMXMKWJLERB-CQSZACIVSA-N 0 0 348.402 4.204 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)c1ccc(F)cc1F ZINC000006377240 563566455 /nfs/dbraw/zinc/56/64/55/563566455.db2.gz NTEZEUAQQJCDGX-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN FC(F)(F)c1cnc([C@@H](c2nnc[nH]2)c2ccccc2)c(Cl)c1 ZINC000006530062 563571096 /nfs/dbraw/zinc/57/10/96/563571096.db2.gz HRPDXGVJRGAGTJ-LBPRGKRZSA-N 0 0 338.720 4.052 50 0 EIAARN CCOc1ccc2nc(NC(=O)Cc3cccc(F)c3)sc2c1 ZINC000006560764 563572435 /nfs/dbraw/zinc/57/24/35/563572435.db2.gz OWNDXCWAAZSXPW-UHFFFAOYSA-N 0 0 330.384 4.015 50 0 EIAARN O=C([O-])c1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000006662085 563576681 /nfs/dbraw/zinc/57/66/81/563576681.db2.gz ZVACOZCHKFWEHO-UHFFFAOYSA-N 0 0 347.414 4.254 50 0 EIAARN COc1ccc(-n2ncc3c2C[C@@H](c2ccc(C)cc2)CC3=O)cc1 ZINC000006661698 563576779 /nfs/dbraw/zinc/57/67/79/563576779.db2.gz KIXNMYMRKBAGPG-MRXNPFEDSA-N 0 0 332.403 4.102 50 0 EIAARN CCc1nc2cc(NC(=O)N3CCC[C@H](C(F)(F)F)C3)ccc2o1 ZINC000071910926 563577163 /nfs/dbraw/zinc/57/71/63/563577163.db2.gz QEJWSBIPEGFBNC-JTQLQIEISA-N 0 0 341.333 4.196 50 0 EIAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000042713236 563578884 /nfs/dbraw/zinc/57/88/84/563578884.db2.gz RIYUBHLBFNVYTJ-ZDUSSCGKSA-N 0 0 343.446 4.488 50 0 EIAARN Cc1cccc(-c2noc(CN(C)C(=O)Nc3ccccc3C)n2)c1 ZINC000006746904 563585027 /nfs/dbraw/zinc/58/50/27/563585027.db2.gz WMSVNCRIZKDTCS-UHFFFAOYSA-N 0 0 336.395 4.017 50 0 EIAARN O[C@@H](c1nc2ccccc2n1CCc1ccccc1)c1ccccc1 ZINC000006753100 563585345 /nfs/dbraw/zinc/58/53/45/563585345.db2.gz JNDKZRIYRQLDAK-OAQYLSRUSA-N 0 0 328.415 4.361 50 0 EIAARN CCc1cccc(CC)c1NC(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000071911708 563586421 /nfs/dbraw/zinc/58/64/21/563586421.db2.gz HWXGGPVKIKLUER-UHFFFAOYSA-N 0 0 349.438 4.095 50 0 EIAARN Cc1cccc(NC(=O)COCc2cc(-c3cccs3)on2)c1C ZINC000006876586 563590073 /nfs/dbraw/zinc/59/00/73/563590073.db2.gz LXWUNIKBVXIAKH-UHFFFAOYSA-N 0 0 342.420 4.175 50 0 EIAARN Cc1cc(F)ccc1NC(=O)COCc1cc(-c2cccs2)on1 ZINC000006876604 563590154 /nfs/dbraw/zinc/59/01/54/563590154.db2.gz ZPXGWFLFMJYILW-UHFFFAOYSA-N 0 0 346.383 4.006 50 0 EIAARN CC(=O)[C@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000000082849 563594623 /nfs/dbraw/zinc/59/46/23/563594623.db2.gz ZZBZHKRMPYPASA-LBPRGKRZSA-N 0 0 342.778 4.470 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)c1)CC(=O)N2 ZINC000007342049 563599757 /nfs/dbraw/zinc/59/97/57/563599757.db2.gz WIFXFCPBUNMYBM-OAHLLOKOSA-N 0 0 325.408 4.267 50 0 EIAARN c1nc(COc2ccccc2N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000097377006 563605566 /nfs/dbraw/zinc/60/55/66/563605566.db2.gz IGWZEKRACFEXMG-QGTPRVQTSA-N 0 0 342.464 4.092 50 0 EIAARN CCCOc1ccc(C(=O)Nc2ccn(Cc3ccc(C)cc3)n2)cc1 ZINC000002762840 563610395 /nfs/dbraw/zinc/61/03/95/563610395.db2.gz BFXHTEMNVUCENO-UHFFFAOYSA-N 0 0 349.434 4.281 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1Cl ZINC000002764732 563610786 /nfs/dbraw/zinc/61/07/86/563610786.db2.gz JSGSLXHBQPXTQO-KGLIPLIRSA-N 0 0 329.827 4.394 50 0 EIAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1ccccc1C ZINC000002763983 563610837 /nfs/dbraw/zinc/61/08/37/563610837.db2.gz AYCKNSHLSMRCGC-UHFFFAOYSA-N 0 0 333.435 4.417 50 0 EIAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1 ZINC000002764390 563610855 /nfs/dbraw/zinc/61/08/55/563610855.db2.gz AQYBRIQSXHIPRC-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000007724536 563611947 /nfs/dbraw/zinc/61/19/47/563611947.db2.gz CXZAGXAPKZAFRZ-UHFFFAOYSA-N 0 0 342.870 4.228 50 0 EIAARN C[C@@H]1CCc2c(sc3ncn4nc(-c5ccc(F)cc5)nc4c23)C1 ZINC000002789809 563613533 /nfs/dbraw/zinc/61/35/33/563613533.db2.gz CKHVHAPCJMLQJT-SNVBAGLBSA-N 0 0 338.411 4.270 50 0 EIAARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000007769637 563613766 /nfs/dbraw/zinc/61/37/66/563613766.db2.gz HPBREBZTGWCVFN-UHFFFAOYSA-N 0 0 340.423 4.322 50 0 EIAARN O=C(NC1C2CC3CC(C2)CC1C3)c1cc(Br)cs1 ZINC000002770975 563614180 /nfs/dbraw/zinc/61/41/80/563614180.db2.gz GZPGYBILCCPYST-UHFFFAOYSA-N 0 0 340.286 4.065 50 0 EIAARN COC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OC ZINC000002773023 563614230 /nfs/dbraw/zinc/61/42/30/563614230.db2.gz CKRYHKZGIUAHNZ-UHFFFAOYSA-N 0 0 325.773 4.033 50 0 EIAARN CC(C)c1ccc(OCn2ccc(C(=O)Nc3ccccc3)n2)cc1 ZINC000002799183 563615525 /nfs/dbraw/zinc/61/55/25/563615525.db2.gz JQAJGCSNLHJCJC-UHFFFAOYSA-N 0 0 335.407 4.295 50 0 EIAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)NC1CCCCCCC1 ZINC000002793735 563616211 /nfs/dbraw/zinc/61/62/11/563616211.db2.gz QACWJZXCPYVYHZ-LBPRGKRZSA-N 0 0 345.409 4.076 50 0 EIAARN Cc1ccc(CNC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000008010911 563619087 /nfs/dbraw/zinc/61/90/87/563619087.db2.gz FHZSICBWTIHXMM-UHFFFAOYSA-N 0 0 329.399 4.156 50 0 EIAARN COc1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)cc1 ZINC000002900775 563620022 /nfs/dbraw/zinc/62/00/22/563620022.db2.gz BPYGXSWYYYXKCG-INIZCTEOSA-N 0 0 336.218 4.149 50 0 EIAARN CC[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(C)c1)c1nccs1 ZINC000071915963 563620098 /nfs/dbraw/zinc/62/00/98/563620098.db2.gz QXPHKHQZPHGZAR-OAHLLOKOSA-N 0 0 344.484 4.325 50 0 EIAARN CC(C)Oc1ccc(CNCc2cscn2)c(C(F)(F)F)c1 ZINC000071924613 563667496 /nfs/dbraw/zinc/66/74/96/563667496.db2.gz RGIHLJZEDINQRG-UHFFFAOYSA-N 0 0 330.375 4.239 50 0 EIAARN Cc1ccc(-c2ccc(O[C@@H](C)C(=O)NCC(F)(F)F)cc2)cc1 ZINC000032638444 563670592 /nfs/dbraw/zinc/67/05/92/563670592.db2.gz ZMDINMMZTDVWHA-ZDUSSCGKSA-N 0 0 337.341 4.108 50 0 EIAARN O=C(NC1CC1)[C@H](Sc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000012794632 563672327 /nfs/dbraw/zinc/67/23/27/563672327.db2.gz AIHVHTLDVIMPIN-GOSISDBHSA-N 0 0 349.459 4.189 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000012795001 563672333 /nfs/dbraw/zinc/67/23/33/563672333.db2.gz WYIPYXHMQMJBBM-CQSZACIVSA-N 0 0 329.421 4.123 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012798074 563673008 /nfs/dbraw/zinc/67/30/08/563673008.db2.gz MFSXLUKZRLVXDH-UHFFFAOYSA-N 0 0 339.345 4.280 50 0 EIAARN CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000032644336 563674895 /nfs/dbraw/zinc/67/48/95/563674895.db2.gz JEUSKKIIKDVSTM-UHFFFAOYSA-N 0 0 331.803 4.122 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000012865070 563676006 /nfs/dbraw/zinc/67/60/06/563676006.db2.gz PJKVSXFPDVJJMZ-OAHLLOKOSA-N 0 0 344.499 4.423 50 0 EIAARN CCC[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000012971758 563679192 /nfs/dbraw/zinc/67/91/92/563679192.db2.gz JQBBARGFUFZXOO-SFHVURJKSA-N 0 0 336.439 4.283 50 0 EIAARN C[C@H](SCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012972620 563679558 /nfs/dbraw/zinc/67/95/58/563679558.db2.gz QCKDXRUKJMUUOO-AWEZNQCLSA-N 0 0 343.448 4.281 50 0 EIAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000012974780 563680178 /nfs/dbraw/zinc/68/01/78/563680178.db2.gz RHNQLFGWZVXJNT-HXUWFJFHSA-N 0 0 338.451 4.088 50 0 EIAARN CCOc1ccc(NC(=O)[C@H](C)Oc2cccc3cccnc32)cc1 ZINC000012974740 563680255 /nfs/dbraw/zinc/68/02/55/563680255.db2.gz ZQONFTVDFZSXDM-AWEZNQCLSA-N 0 0 336.391 4.040 50 0 EIAARN O=C(CCC(=O)c1ccc(Cl)cc1)NCc1cccc(Cl)c1 ZINC000012977416 563680492 /nfs/dbraw/zinc/68/04/92/563680492.db2.gz PIHORJAEVDVFNK-UHFFFAOYSA-N 0 0 336.218 4.273 50 0 EIAARN CC(C)c1ccccc1NC(=O)CCCNC(=O)c1ccsc1 ZINC000012981513 563681335 /nfs/dbraw/zinc/68/13/35/563681335.db2.gz BENRKLUMIVSMON-UHFFFAOYSA-N 0 0 330.453 4.020 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012992246 563682641 /nfs/dbraw/zinc/68/26/41/563682641.db2.gz RWAKTFQPDLSFNY-NSHDSACASA-N 0 0 341.411 4.144 50 0 EIAARN CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000013328834 563696013 /nfs/dbraw/zinc/69/60/13/563696013.db2.gz MPYNPWZKCAUTSH-WMLDXEAASA-N 0 0 327.424 4.075 50 0 EIAARN CC1(C)C=Cc2c(cc3oc(-c4ccc(O)cc4)cc(O)c-3c2=O)O1 ZINC000013383651 563697030 /nfs/dbraw/zinc/69/70/30/563697030.db2.gz YXOATFKTEDZPFL-UHFFFAOYSA-N 0 0 336.343 4.055 50 0 biogenic,in-vitro EIAARN C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)C[C@H](C)O1 ZINC000013370453 563697095 /nfs/dbraw/zinc/69/70/95/563697095.db2.gz AVGKSJIJRPKZAM-IYBDPMFKSA-N 0 0 346.430 4.151 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccncc3)ccc2c1 ZINC000032716695 563698456 /nfs/dbraw/zinc/69/84/56/563698456.db2.gz KUYVWYJVUJPJDN-CABCVRRESA-N 0 0 334.419 4.224 50 0 EIAARN COc1ccc(NC(=S)Nc2ccc3nc(C)c(C)nc3c2)cc1 ZINC000013479030 563699569 /nfs/dbraw/zinc/69/95/69/563699569.db2.gz LGJIMFVXZRFJPT-UHFFFAOYSA-N 0 0 338.436 4.064 50 0 EIAARN CCC(=O)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000013548615 563701027 /nfs/dbraw/zinc/70/10/27/563701027.db2.gz BZSJXHGVNRWECR-UHFFFAOYSA-N 0 0 347.421 4.065 50 0 EIAARN OCCCc1nc2ccccc2n1CCOc1ccc2ccccc2c1 ZINC000013566039 563702128 /nfs/dbraw/zinc/70/21/28/563702128.db2.gz OWUMBQMRBFQULL-UHFFFAOYSA-N 0 0 346.430 4.193 50 0 EIAARN CCOC(=O)c1c(=O)[nH]c2c3ccccc3oc2c1-c1ccccc1 ZINC000013596721 563703232 /nfs/dbraw/zinc/70/32/32/563703232.db2.gz GGKFVOOJBIBBBR-UHFFFAOYSA-N 0 0 333.343 4.118 50 0 EIAARN O=C(CCc1ccco1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000032721485 563703533 /nfs/dbraw/zinc/70/35/33/563703533.db2.gz OTBHEPVSIQZJLH-UHFFFAOYSA-N 0 0 329.783 4.442 50 0 EIAARN Cc1csc(NC(=O)c2sc(-c3ccccc3F)nc2C)n1 ZINC000013736504 563719935 /nfs/dbraw/zinc/71/99/35/563719935.db2.gz GROCJVBBSUZOMH-UHFFFAOYSA-N 0 0 333.413 4.275 50 0 EIAARN Cc1nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2nc1C ZINC000032740742 563721552 /nfs/dbraw/zinc/72/15/52/563721552.db2.gz FHVNLSZGHXKTEJ-UHFFFAOYSA-N 0 0 339.826 4.172 50 0 EIAARN CN(Cc1ccsc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000032741274 563721806 /nfs/dbraw/zinc/72/18/06/563721806.db2.gz DVELHHBQMUKEDQ-UHFFFAOYSA-N 0 0 335.428 4.251 50 0 EIAARN CCCNC(=O)C1(c2ccc(NC(=O)C(C)C)cc2)CCCCC1 ZINC000065027419 563723271 /nfs/dbraw/zinc/72/32/71/563723271.db2.gz BKRFMSKIGPRHDJ-UHFFFAOYSA-N 0 0 330.472 4.009 50 0 EIAARN Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000013846049 563726395 /nfs/dbraw/zinc/72/63/95/563726395.db2.gz TTZPHNFNLGIKKS-QZTJIDSGSA-N 0 0 333.387 4.243 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000013858133 563726903 /nfs/dbraw/zinc/72/69/03/563726903.db2.gz NCQAYKNLDSYZMO-UHFFFAOYSA-N 0 0 346.308 4.317 50 0 EIAARN CCCCn1nc(C)c2c1nc(-c1ccc(F)cc1)cc2C(=O)OC ZINC000013961139 563733639 /nfs/dbraw/zinc/73/36/39/563733639.db2.gz JVUUUEQHWYCLEI-UHFFFAOYSA-N 0 0 341.386 4.133 50 0 EIAARN O=C(Nc1ccc(Cl)cn1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000004492329 563733838 /nfs/dbraw/zinc/73/38/38/563733838.db2.gz LCCCEXQBOUOSBL-STQMWFEESA-N 0 0 341.625 4.261 50 0 EIAARN O=C1CCc2c1cccc2OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000032789196 563735275 /nfs/dbraw/zinc/73/52/75/563735275.db2.gz YBUCOKMHDXAXAR-UHFFFAOYSA-N 0 0 340.766 4.098 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000014021996 563736557 /nfs/dbraw/zinc/73/65/57/563736557.db2.gz GIUCBAGOZLOXFL-UHFFFAOYSA-N 0 0 327.409 4.230 50 0 EIAARN CCC(CC)NC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c21 ZINC000014021004 563736585 /nfs/dbraw/zinc/73/65/85/563736585.db2.gz FROYCGNZXQTQRP-UHFFFAOYSA-N 0 0 337.423 4.425 50 0 EIAARN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000032796984 563738049 /nfs/dbraw/zinc/73/80/49/563738049.db2.gz WKNZMBZXCXCGHL-NEPJUHHUSA-N 0 0 344.377 4.141 50 0 EIAARN COc1cc(C)c(NC(=O)C2(c3ccccc3)CCCC2)cc1OC ZINC000014117762 563742476 /nfs/dbraw/zinc/74/24/76/563742476.db2.gz VHIPPISFLRCAMS-UHFFFAOYSA-N 0 0 339.435 4.463 50 0 EIAARN CC(C)Nc1nnc(SCc2cc(-c3cccs3)on2)s1 ZINC000014123558 563743279 /nfs/dbraw/zinc/74/32/79/563743279.db2.gz JHIGPZZJHKPGQX-UHFFFAOYSA-N 0 0 338.483 4.367 50 0 EIAARN O=C(c1cc(-c2csc(NC3CCCCC3)n2)c[nH]1)N1CCCC1 ZINC000014137904 563744373 /nfs/dbraw/zinc/74/43/73/563744373.db2.gz GYFFWVCNELKFEL-UHFFFAOYSA-N 0 0 344.484 4.119 50 0 EIAARN C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(Cl)cc1 ZINC000014180823 563747328 /nfs/dbraw/zinc/74/73/28/563747328.db2.gz PGMZGMWRQBETSP-MRVPVSSYSA-N 0 0 339.873 4.129 50 0 EIAARN O=C(CCc1cccs1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000014183754 563747769 /nfs/dbraw/zinc/74/77/69/563747769.db2.gz GCRWUCHHUUVWLH-UHFFFAOYSA-N 0 0 329.343 4.261 50 0 EIAARN O=C(Nc1nccs1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000014190678 563748890 /nfs/dbraw/zinc/74/88/90/563748890.db2.gz CPCPGGNZDJRDAU-UHFFFAOYSA-N 0 0 347.490 4.037 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1C ZINC000014199492 563750083 /nfs/dbraw/zinc/75/00/83/563750083.db2.gz DBGOPEGAQPWTSK-UHFFFAOYSA-N 0 0 340.404 4.463 50 0 EIAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(C)cc1 ZINC000014202068 563750474 /nfs/dbraw/zinc/75/04/74/563750474.db2.gz GFBYOHTVLIRWNT-UHFFFAOYSA-N 0 0 340.383 4.082 50 0 EIAARN C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(Cl)s1 ZINC000032817625 563751220 /nfs/dbraw/zinc/75/12/20/563751220.db2.gz PYAXYHGPYGMSIK-ZCFIWIBFSA-N 0 0 334.622 4.248 50 0 EIAARN Cc1nnc(SCc2csc(-c3cccs3)n2)n1C1CC1 ZINC000014250074 563755532 /nfs/dbraw/zinc/75/55/32/563755532.db2.gz JRODBEQNDGOCMI-UHFFFAOYSA-N 0 0 334.495 4.399 50 0 EIAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000014254923 563755905 /nfs/dbraw/zinc/75/59/05/563755905.db2.gz JZGRWLLJLOXWNF-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN CCOc1ccc(NS(=O)(=O)c2ccc([C@H](C)CC)cc2)cc1 ZINC000014256122 563756460 /nfs/dbraw/zinc/75/64/60/563756460.db2.gz BUVIRWWSBJACHB-CQSZACIVSA-N 0 0 333.453 4.400 50 0 EIAARN O=C(NCCSc1ccc(Cl)cc1)N[C@H]1CCc2ccccc21 ZINC000032843824 563761651 /nfs/dbraw/zinc/76/16/51/563761651.db2.gz NUHTYXXYCUSCMR-KRWDZBQOSA-N 0 0 346.883 4.419 50 0 EIAARN COc1ccc(CCS[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000032854110 563763154 /nfs/dbraw/zinc/76/31/54/563763154.db2.gz QZSVRJSFTMIFFY-ZDUSSCGKSA-N 0 0 333.428 4.137 50 0 EIAARN Cc1ccc(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000014737970 563763841 /nfs/dbraw/zinc/76/38/41/563763841.db2.gz AVVDJBYGRLMUQZ-NEFAXPCMSA-N 0 0 327.468 4.095 50 0 EIAARN Cc1ccc(-c2cnnc(NCc3scnc3-c3ccccc3)n2)o1 ZINC000014949099 563767725 /nfs/dbraw/zinc/76/77/25/563767725.db2.gz QYIGJEBCWXDGQS-UHFFFAOYSA-N 0 0 349.419 4.176 50 0 EIAARN Cc1ccc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)o1 ZINC000014960602 563768594 /nfs/dbraw/zinc/76/85/94/563768594.db2.gz VBVQLQVCZILVHM-UHFFFAOYSA-N 0 0 330.334 4.080 50 0 EIAARN Oc1cccc([C@H]2Nc3ccc(Br)cc3[C@H]3OCC[C@H]32)c1 ZINC000015018104 563773316 /nfs/dbraw/zinc/77/33/16/563773316.db2.gz OWTFKTJCXBCIOV-XKQJLSEDSA-N 0 0 346.224 4.399 50 0 EIAARN CCc1ccccc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 ZINC000015192319 563779639 /nfs/dbraw/zinc/77/96/39/563779639.db2.gz SFCWUEVXENLSPM-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2C)n(C2CC2)c1C ZINC000032894146 563782657 /nfs/dbraw/zinc/78/26/57/563782657.db2.gz KAAHECSHUZFGSQ-AWEZNQCLSA-N 0 0 343.496 4.113 50 0 EIAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccoc1 ZINC000032900352 563784864 /nfs/dbraw/zinc/78/48/64/563784864.db2.gz IQYHMOIRDSLEIE-OAHLLOKOSA-N 0 0 348.402 4.365 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)cc1F ZINC000015517347 563785679 /nfs/dbraw/zinc/78/56/79/563785679.db2.gz OQOBEIMXZRKESV-LJQANCHMSA-N 0 0 338.382 4.037 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000015540399 563786464 /nfs/dbraw/zinc/78/64/64/563786464.db2.gz XKBSETNQHNTIHL-SFHVURJKSA-N 0 0 345.826 4.091 50 0 EIAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ccc(C)nc21 ZINC000015835285 563794072 /nfs/dbraw/zinc/79/40/72/563794072.db2.gz YRCVNTUVYDPWJB-SFHVURJKSA-N 0 0 338.382 4.478 50 0 EIAARN CCOc1ccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)cc1 ZINC000015838764 563794878 /nfs/dbraw/zinc/79/48/78/563794878.db2.gz FFSFZFQJRZKCFS-UHFFFAOYSA-N 0 0 337.375 4.022 50 0 EIAARN O=S(=O)(c1ccc(F)cc1)N1CCCCC[C@H]1c1cccs1 ZINC000015866704 563797304 /nfs/dbraw/zinc/79/73/04/563797304.db2.gz IMBFEBFUEYDHPD-HNNXBMFYSA-N 0 0 339.457 4.193 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nc3ncccc3o2)cc1 ZINC000015867754 563799377 /nfs/dbraw/zinc/79/93/77/563799377.db2.gz KYTNXLFIOGXADT-GFCCVEGCSA-N 0 0 341.436 4.467 50 0 EIAARN Cc1noc(C)c1COc1ccccc1C(=O)NC1CCC(C)CC1 ZINC000015934647 563800498 /nfs/dbraw/zinc/80/04/98/563800498.db2.gz YPWZCLYCVGEZIK-UHFFFAOYSA-N 0 0 342.439 4.179 50 0 EIAARN CCCCN(C)C(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c21 ZINC000032909663 563802352 /nfs/dbraw/zinc/80/23/52/563802352.db2.gz COBRGFUUFGTCOB-UHFFFAOYSA-N 0 0 343.452 4.440 50 0 EIAARN COc1ccc(C(C)=O)cc1COC(=O)c1c(C)[nH]c2ccccc21 ZINC000016295989 563808176 /nfs/dbraw/zinc/80/81/76/563808176.db2.gz NUDARRRRDDPSEY-UHFFFAOYSA-N 0 0 337.375 4.045 50 0 EIAARN CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C)on1 ZINC000016341203 563808913 /nfs/dbraw/zinc/80/89/13/563808913.db2.gz OEFYUVQLWMZKIQ-NSHDSACASA-N 0 0 329.183 4.086 50 0 EIAARN Cc1cc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nc(C(C)C)n1 ZINC000016454268 563812366 /nfs/dbraw/zinc/81/23/66/563812366.db2.gz VHAWXFYBCVGCLE-CABCVRRESA-N 0 0 343.496 4.266 50 0 EIAARN Cc1ccccc1CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000032915071 563812692 /nfs/dbraw/zinc/81/26/92/563812692.db2.gz OQSUMSFNPNALAH-UHFFFAOYSA-N 0 0 349.430 4.164 50 0 EIAARN O=C([O-])c1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000016480427 563812820 /nfs/dbraw/zinc/81/28/20/563812820.db2.gz NFYXJHORCJLSFG-UHFFFAOYSA-N 0 0 347.414 4.254 50 0 EIAARN COc1ccc(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1F ZINC000032915471 563813278 /nfs/dbraw/zinc/81/32/78/563813278.db2.gz LLGYJAJZEMTLDG-KRWDZBQOSA-N 0 0 335.444 4.342 50 0 EIAARN CCc1ccc(S(=O)(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1 ZINC000032916389 563814536 /nfs/dbraw/zinc/81/45/36/563814536.db2.gz YCILHOVAIXMTRV-INIZCTEOSA-N 0 0 337.510 4.376 50 0 EIAARN c1cnn(-c2ccc(CSc3nnc(-c4ccccc4)o3)cc2)c1 ZINC000016626148 563818182 /nfs/dbraw/zinc/81/81/82/563818182.db2.gz CCUFZBWSRAMYCS-UHFFFAOYSA-N 0 0 334.404 4.215 50 0 EIAARN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1nc2ccccc2c(=O)[nH]1 ZINC000016694737 563820960 /nfs/dbraw/zinc/82/09/60/563820960.db2.gz UOUNBQFJJVKJJQ-LSDHHAIUSA-N 0 0 347.462 4.214 50 0 EIAARN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(C)(C)C ZINC000016780142 563823659 /nfs/dbraw/zinc/82/36/59/563823659.db2.gz SFZYGKZHXKHIND-AWEZNQCLSA-N 0 0 347.480 4.032 50 0 EIAARN Cc1nn(CN(C2CC2)C2CCCC2)c(=S)n1-c1ccccc1C ZINC000032923202 563824883 /nfs/dbraw/zinc/82/48/83/563824883.db2.gz BMFRBZXHBJUXAI-UHFFFAOYSA-N 0 0 342.512 4.385 50 0 EIAARN CCc1ccc(N2C(=O)CS[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000017198432 563840264 /nfs/dbraw/zinc/84/02/64/563840264.db2.gz JGBOVKGZUVKLNL-LJQANCHMSA-N 0 0 343.448 4.045 50 0 EIAARN COc1ccc(-c2cn(-c3ccc(OC)cc3)c(SC)n2)cc1 ZINC000000424458 563843479 /nfs/dbraw/zinc/84/34/79/563843479.db2.gz RFTUXOPONUYGAJ-UHFFFAOYSA-N 0 0 326.421 4.278 50 0 EIAARN Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 ZINC000018146132 563849718 /nfs/dbraw/zinc/84/97/18/563849718.db2.gz VNJWARKBEPNOEI-RTBURBONSA-N 0 0 333.387 4.243 50 0 EIAARN Fc1ccc(-n2ncc3c2ncnc3N2CCCc3ccccc32)cc1 ZINC000020661924 563859706 /nfs/dbraw/zinc/85/97/06/563859706.db2.gz PBXPSBAJLFXDLJ-UHFFFAOYSA-N 0 0 345.381 4.039 50 0 EIAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000033982215 563860686 /nfs/dbraw/zinc/86/06/86/563860686.db2.gz XPKVLOSMAOEFKN-MRXNPFEDSA-N 0 0 339.819 4.005 50 0 EIAARN COc1ccc(CC[C@H](C)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012383440 563863507 /nfs/dbraw/zinc/86/35/07/563863507.db2.gz XNAXAQOSEYQXIF-AWEZNQCLSA-N 0 0 345.439 4.154 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000024208762 563869697 /nfs/dbraw/zinc/86/96/97/563869697.db2.gz JCMFCRVJJFKHMG-DYVFJYSZSA-N 0 0 345.439 4.255 50 0 EIAARN COc1ccc2cc(C(=O)Nc3ccc(N(C)C)c(C)c3)c(C)nc2c1 ZINC000024645695 563873824 /nfs/dbraw/zinc/87/38/24/563873824.db2.gz WYSWUJKVJVXRCF-UHFFFAOYSA-N 0 0 349.434 4.179 50 0 EIAARN Cc1csc(CCNc2ncnc3sc4c(c32)CC[C@@H](C)C4)n1 ZINC000024760960 563875493 /nfs/dbraw/zinc/87/54/93/563875493.db2.gz ZZSHFXASMWPNGK-SNVBAGLBSA-N 0 0 344.509 4.236 50 0 EIAARN C[C@H](c1cccs1)N(C)C(=O)c1cccc(Nc2ncccn2)c1 ZINC000024780822 563875668 /nfs/dbraw/zinc/87/56/68/563875668.db2.gz KVFYJRZBIMQZDN-CYBMUJFWSA-N 0 0 338.436 4.115 50 0 EIAARN CCc1ccc(C(=O)CCC(=O)Nc2ccc3oc(C)nc3c2)cc1 ZINC000024842487 563876911 /nfs/dbraw/zinc/87/69/11/563876911.db2.gz UNKXWYVSLHUNQW-UHFFFAOYSA-N 0 0 336.391 4.300 50 0 EIAARN O=c1[nH]c2ccc(-c3csc(Nc4cccc(Cl)c4)n3)cc2[nH]1 ZINC000024955171 563877888 /nfs/dbraw/zinc/87/78/88/563877888.db2.gz CQJJJENHIABCGP-UHFFFAOYSA-N 0 0 342.811 4.377 50 0 EIAARN Cc1cc(NC(=O)[C@H](Sc2ccc3ccccc3n2)C(C)C)no1 ZINC000024949597 563877934 /nfs/dbraw/zinc/87/79/34/563877934.db2.gz PZDFSJJXOBVQKF-QGZVFWFLSA-N 0 0 341.436 4.287 50 0 EIAARN CCCCC(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 ZINC000025053255 563880280 /nfs/dbraw/zinc/88/02/80/563880280.db2.gz DLKYFWQTXAAWHN-UHFFFAOYSA-N 0 0 340.452 4.339 50 0 EIAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1cnc2ccccc2c1 ZINC000025157399 563881493 /nfs/dbraw/zinc/88/14/93/563881493.db2.gz ZWPNYWBLEBHYQK-UHFFFAOYSA-N 0 0 331.350 4.483 50 0 EIAARN COc1cc(OC)c(NC(=O)C2(c3ccccc3)CCC2)cc1Cl ZINC000025319277 563883190 /nfs/dbraw/zinc/88/31/90/563883190.db2.gz OAWKQZPFPHRQFJ-UHFFFAOYSA-N 0 0 345.826 4.418 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000043485854 563884381 /nfs/dbraw/zinc/88/43/81/563884381.db2.gz BJPGKNRNHODQCT-IRXDYDNUSA-N 0 0 327.472 4.331 50 0 EIAARN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCc2ccccc2C1 ZINC000025410418 563884671 /nfs/dbraw/zinc/88/46/71/563884671.db2.gz SQQDNUAZRAQYGL-JKSUJKDBSA-N 0 0 348.446 4.057 50 0 EIAARN CC(C)(C)c1csc(NC(=O)c2cc(-c3cccs3)on2)n1 ZINC000025447320 563885037 /nfs/dbraw/zinc/88/50/37/563885037.db2.gz VCGDDDRJVDOTFI-UHFFFAOYSA-N 0 0 333.438 4.409 50 0 EIAARN Cc1[nH]c2c(cccc2C(=O)Nc2ccc3c(c2)OCCCO3)c1C ZINC000025676012 563887085 /nfs/dbraw/zinc/88/70/85/563887085.db2.gz IOVQZKXEZLOVGC-UHFFFAOYSA-N 0 0 336.391 4.198 50 0 EIAARN Cc1cc(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)on1 ZINC000026363515 563891211 /nfs/dbraw/zinc/89/12/11/563891211.db2.gz KMKDPDMWRLNUIZ-UHFFFAOYSA-N 0 0 338.392 4.149 50 0 EIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccs2)cs1 ZINC000026883089 563893822 /nfs/dbraw/zinc/89/38/22/563893822.db2.gz KVBJZHIRRCMNOH-UHFFFAOYSA-N 0 0 340.473 4.312 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OCc2cscn2)c1 ZINC000026981238 563894430 /nfs/dbraw/zinc/89/44/30/563894430.db2.gz YKRJVHMJJDFKQH-DYVFJYSZSA-N 0 0 330.453 4.031 50 0 EIAARN O=C(CSc1nccn1-c1ccccc1)c1c[nH]c2ccccc12 ZINC000027486185 563896224 /nfs/dbraw/zinc/89/62/24/563896224.db2.gz ADUOHBUCZMATQB-UHFFFAOYSA-N 0 0 333.416 4.329 50 0 EIAARN CC(C)OC1CCN(C(=O)CCCc2nc3ccccc3s2)CC1 ZINC000072271255 563896611 /nfs/dbraw/zinc/89/66/11/563896611.db2.gz KBLSTTOOVGALKL-UHFFFAOYSA-N 0 0 346.496 4.035 50 0 EIAARN CC(C)c1ccc(O[C@@H](C)C(=O)Nc2onc3c2CCCC3)cc1 ZINC000027662594 563898350 /nfs/dbraw/zinc/89/83/50/563898350.db2.gz SCDMLAUWFYDYBL-ZDUSSCGKSA-N 0 0 328.412 4.083 50 0 EIAARN CCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)ns1 ZINC000027740422 563899304 /nfs/dbraw/zinc/89/93/04/563899304.db2.gz MEUATLYXZNIBDV-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3ccccc3)no2)cc1C ZINC000027794244 563899717 /nfs/dbraw/zinc/89/97/17/563899717.db2.gz QWLSONHRFOJFOK-HNNXBMFYSA-N 0 0 336.391 4.364 50 0 EIAARN C[C@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(Cl)s1 ZINC000028410596 563902819 /nfs/dbraw/zinc/90/28/19/563902819.db2.gz SYMNZGFDTCAHDB-CMPLNLGQSA-N 0 0 336.844 4.286 50 0 EIAARN Cc1sc(-c2ccco2)nc1C(=O)NCCc1ccc(Cl)cc1 ZINC000029108506 563904972 /nfs/dbraw/zinc/90/49/72/563904972.db2.gz BSUJIOWACFVODC-UHFFFAOYSA-N 0 0 346.839 4.337 50 0 EIAARN CN(C(=O)c1cc(-c2ccccc2)on1)[C@@H]1CCCc2ccccc21 ZINC000029258786 563905368 /nfs/dbraw/zinc/90/53/68/563905368.db2.gz ZXPDGLWMUCUODR-LJQANCHMSA-N 0 0 332.403 4.491 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000029266690 563905396 /nfs/dbraw/zinc/90/53/96/563905396.db2.gz GQNWKDIXDBPYRV-UHFFFAOYSA-N 0 0 348.446 4.054 50 0 EIAARN CN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CCCc2ccccc21 ZINC000029258788 563905435 /nfs/dbraw/zinc/90/54/35/563905435.db2.gz ZXPDGLWMUCUODR-IBGZPJMESA-N 0 0 332.403 4.491 50 0 EIAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nncn1C ZINC000029615071 563907588 /nfs/dbraw/zinc/90/75/88/563907588.db2.gz IFLHHUXRRRZRES-ZDUSSCGKSA-N 0 0 346.500 4.181 50 0 EIAARN COc1ccc2[nH]c(S[C@@H](C)c3nc(-c4ccco4)no3)nc2c1 ZINC000029737588 563908197 /nfs/dbraw/zinc/90/81/97/563908197.db2.gz WEXDRXMQVZISFI-VIFPVBQESA-N 0 0 342.380 4.068 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC)nc1 ZINC000030009475 563909182 /nfs/dbraw/zinc/90/91/82/563909182.db2.gz WTGQQUJPJDAJHU-ZIAGYGMSSA-N 0 0 327.428 4.043 50 0 EIAARN CCOCc1ccccc1CNC(=O)c1csc2c1CCCC2 ZINC000030179944 563909585 /nfs/dbraw/zinc/90/95/85/563909585.db2.gz ISBCJALQCKSEGC-UHFFFAOYSA-N 0 0 329.465 4.093 50 0 EIAARN NC(=O)c1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1 ZINC000030182053 563909589 /nfs/dbraw/zinc/90/95/89/563909589.db2.gz IBCBHJOEQVVQFQ-UHFFFAOYSA-N 0 0 340.448 4.073 50 0 EIAARN CCOc1ncccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000030308505 563909721 /nfs/dbraw/zinc/90/97/21/563909721.db2.gz YYUMNAOYZGTNDV-UHFFFAOYSA-N 0 0 340.467 4.027 50 0 EIAARN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1sccc1C1CC1 ZINC000070804530 563909855 /nfs/dbraw/zinc/90/98/55/563909855.db2.gz XBZJVGJQDZFUNG-UHFFFAOYSA-N 0 0 342.464 4.324 50 0 EIAARN COc1cc(C)c2c(c1)CCC/C2=C\CC1(C)C(=O)CCCC1=O ZINC000030835623 563910812 /nfs/dbraw/zinc/91/08/12/563910812.db2.gz NODQMQNJKVUQGX-XNTDXEJSSA-N 0 0 326.436 4.442 50 0 EIAARN CN(Cc1ccco1)C(=O)c1ccc(SCc2cscn2)cc1 ZINC000030921677 563911783 /nfs/dbraw/zinc/91/17/83/563911783.db2.gz GDZBTFRXQUGBKV-UHFFFAOYSA-N 0 0 344.461 4.301 50 0 EIAARN CC(=O)c1ccc(C(=O)NC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000030952825 563911875 /nfs/dbraw/zinc/91/18/75/563911875.db2.gz MIMVHMHMJOXXIT-LVBDODCMSA-N 0 0 325.452 4.368 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)c2cc3cc(Br)ccc3[nH]2)o1 ZINC000048300330 563913817 /nfs/dbraw/zinc/91/38/17/563913817.db2.gz IZWITXKKSPRDIE-JTQLQIEISA-N 0 0 347.212 4.323 50 0 EIAARN O=C(CSc1nc2ccccc2s1)N1CC[C@H]1c1ccccc1 ZINC000032926578 563914483 /nfs/dbraw/zinc/91/44/83/563914483.db2.gz MZFIGSBMCXIFGV-HNNXBMFYSA-N 0 0 340.473 4.362 50 0 EIAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C=O)c2C(=O)OC)cc1 ZINC000032917076 563914514 /nfs/dbraw/zinc/91/45/14/563914514.db2.gz OHHXPLWMLGUFQB-UHFFFAOYSA-N 0 0 333.387 4.240 50 0 EIAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)c(F)c1 ZINC000033087353 563915257 /nfs/dbraw/zinc/91/52/57/563915257.db2.gz DBQYKKNGJUUETO-OAHLLOKOSA-N 0 0 331.391 4.362 50 0 EIAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1c(C)noc1CC ZINC000033270625 563915655 /nfs/dbraw/zinc/91/56/55/563915655.db2.gz BQPVHDIYGQIOET-OAHLLOKOSA-N 0 0 343.427 4.313 50 0 EIAARN CN(c1ncnc2cccc(F)c21)[C@H](c1ccc(F)cc1)C1CC1 ZINC000072307717 563915881 /nfs/dbraw/zinc/91/58/81/563915881.db2.gz XFJOIHBQJGWWCC-SFHVURJKSA-N 0 0 325.362 4.496 50 0 EIAARN CCOc1ccccc1CNC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000032961509 563916924 /nfs/dbraw/zinc/91/69/24/563916924.db2.gz VEYGENBABWCKRZ-UHFFFAOYSA-N 0 0 334.419 4.180 50 0 EIAARN Cc1ccccc1Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000000132469 563916976 /nfs/dbraw/zinc/91/69/76/563916976.db2.gz DRAVLHMVBAPTKB-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN CC1(C)C[C@@H](NC(=O)C[C@H](c2ccco2)c2ccc(F)cc2)CCO1 ZINC000000472374 563917631 /nfs/dbraw/zinc/91/76/31/563917631.db2.gz ASBIGRMSMVGJFG-IRXDYDNUSA-N 0 0 345.414 4.015 50 0 EIAARN O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)Oc1ccccc1 ZINC000004866558 563919051 /nfs/dbraw/zinc/91/90/51/563919051.db2.gz QGZVPLWJIHVILR-UHFFFAOYSA-N 0 0 338.407 4.360 50 0 EIAARN CCOCC(C)(C)NC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000502067043 563920031 /nfs/dbraw/zinc/92/00/31/563920031.db2.gz RTWTVLWPMLVSRP-UHFFFAOYSA-N 0 0 348.446 4.447 50 0 EIAARN O=C(CCc1ccco1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000032978423 563920519 /nfs/dbraw/zinc/92/05/19/563920519.db2.gz CQVGUTBLDBLOGW-UHFFFAOYSA-N 0 0 340.448 4.228 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)Nc3ccc(F)cc3C)c2)no1 ZINC000032996520 563921705 /nfs/dbraw/zinc/92/17/05/563921705.db2.gz AIKDMZORIVTAKE-UHFFFAOYSA-N 0 0 326.331 4.137 50 0 EIAARN CCc1csc(-c2ccc(CNC(=O)Cc3ccsc3)cc2)n1 ZINC000097938098 563922692 /nfs/dbraw/zinc/92/26/92/563922692.db2.gz MKFORMSGGKOCBH-UHFFFAOYSA-N 0 0 342.489 4.293 50 0 EIAARN Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N1CCCCCC1 ZINC000097939260 563923898 /nfs/dbraw/zinc/92/38/98/563923898.db2.gz BJDXCNFLOPIOKD-UHFFFAOYSA-N 0 0 346.496 4.044 50 0 EIAARN CC(=O)c1cccc(NC(=O)CCc2cccc(Br)c2)c1 ZINC000033000703 563924555 /nfs/dbraw/zinc/92/45/55/563924555.db2.gz QGSFABFUSJTHIU-UHFFFAOYSA-N 0 0 346.224 4.223 50 0 EIAARN Cc1cc(C)cc(C(=O)c2ccccc2I)c1 ZINC000043210136 563925255 /nfs/dbraw/zinc/92/52/55/563925255.db2.gz HCLAHNISVGHQFC-UHFFFAOYSA-N 0 0 336.172 4.139 50 0 EIAARN O=C(c1ccc(C2OCCO2)s1)c1ccccc1C(F)(F)F ZINC000043210396 563925292 /nfs/dbraw/zinc/92/52/92/563925292.db2.gz WSLYDGYFBVIXKX-UHFFFAOYSA-N 0 0 328.311 4.043 50 0 EIAARN CC(C)CCO[C@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000057994304 563936256 /nfs/dbraw/zinc/93/62/56/563936256.db2.gz DFBGEYKROKLTDK-CQSZACIVSA-N 0 0 334.460 4.061 50 0 EIAARN CC(C)N(C(=O)CN1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000058023357 563936833 /nfs/dbraw/zinc/93/68/33/563936833.db2.gz SKSVJXIVWWXCBN-HXUWFJFHSA-N 0 0 340.442 4.404 50 0 EIAARN Cc1ccc(OC2CCN(C(=O)Nc3ncccc3C)CC2)cc1C ZINC000058054320 563937079 /nfs/dbraw/zinc/93/70/79/563937079.db2.gz REFYNKUOPOJMOJ-UHFFFAOYSA-N 0 0 339.439 4.082 50 0 EIAARN CN(CCOc1ccc(Cl)cc1)Cc1ccn(-c2ccccc2)n1 ZINC000058133301 563937676 /nfs/dbraw/zinc/93/76/76/563937676.db2.gz YVMXDJQDSPNROS-UHFFFAOYSA-N 0 0 341.842 4.037 50 0 EIAARN O=C(Nc1nnc(C(F)F)s1)c1sccc1-c1ccccc1 ZINC000058151882 563937910 /nfs/dbraw/zinc/93/79/10/563937910.db2.gz FDVLLJKOHIBCBR-UHFFFAOYSA-N 0 0 337.376 4.457 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)c(C)o1 ZINC000058179770 563939199 /nfs/dbraw/zinc/93/91/99/563939199.db2.gz XMWKUIAGQJPRJW-HNNXBMFYSA-N 0 0 329.396 4.015 50 0 EIAARN Cc1nnc(-c2ccccc2NC(=O)CCSc2ccccc2)o1 ZINC000058182683 563939277 /nfs/dbraw/zinc/93/92/77/563939277.db2.gz YKACFJVSYUFUHA-UHFFFAOYSA-N 0 0 339.420 4.166 50 0 EIAARN C[C@@H](O)c1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000058218241 563940157 /nfs/dbraw/zinc/94/01/57/563940157.db2.gz NBDQMYGULCORPB-LLVKDONJSA-N 0 0 338.329 4.080 50 0 EIAARN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc3[nH]ccc32)c1 ZINC000058218353 563940164 /nfs/dbraw/zinc/94/01/64/563940164.db2.gz BLGRQINMYLHBOA-BLLLJJGKSA-N 0 0 333.391 4.015 50 0 EIAARN CCc1ccccc1NC(=O)NCCc1coc(-c2ccccc2)n1 ZINC000058305191 563942067 /nfs/dbraw/zinc/94/20/67/563942067.db2.gz HWJUYIJQMWOSHM-UHFFFAOYSA-N 0 0 335.407 4.268 50 0 EIAARN O=C(CCc1ccccc1O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000058325681 563942569 /nfs/dbraw/zinc/94/25/69/563942569.db2.gz HCLKGIWGQTXYOJ-UHFFFAOYSA-N 0 0 348.446 4.212 50 0 EIAARN CC(=O)Nc1nc(CSc2ncc(-c3ccccc3)o2)cs1 ZINC000058329365 563942728 /nfs/dbraw/zinc/94/27/28/563942728.db2.gz PQSWQVROFIYZDD-UHFFFAOYSA-N 0 0 331.422 4.049 50 0 EIAARN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c2ccccc2n1 ZINC000058356830 563943514 /nfs/dbraw/zinc/94/35/14/563943514.db2.gz PJOHIHRPUIPCEB-KKSFZXQISA-N 0 0 346.430 4.145 50 0 EIAARN CCc1nc2ccccc2n1CC(=O)N(C)c1cccc2ccccc21 ZINC000058393674 563944705 /nfs/dbraw/zinc/94/47/05/563944705.db2.gz DAJOYPWTHXCWBE-UHFFFAOYSA-N 0 0 343.430 4.415 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cn1 ZINC000058556789 563946886 /nfs/dbraw/zinc/94/68/86/563946886.db2.gz JNIDHAYPSZUDQR-UHFFFAOYSA-N 0 0 328.375 4.186 50 0 EIAARN CSc1nnc(CN(Cc2ccccc2)Cc2ccccc2)s1 ZINC000060061720 563949502 /nfs/dbraw/zinc/94/95/02/563949502.db2.gz LJVRLPUHEVLGKH-UHFFFAOYSA-N 0 0 341.505 4.462 50 0 EIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc4[nH]ccc4c3)c12 ZINC000061722043 563951003 /nfs/dbraw/zinc/95/10/03/563951003.db2.gz VZSKOUHVCFOIKI-UHFFFAOYSA-N 0 0 347.422 4.134 50 0 EIAARN CC(C)(C)CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000060389148 563955109 /nfs/dbraw/zinc/95/51/09/563955109.db2.gz GMJZJVIDBZVCIP-UHFFFAOYSA-N 0 0 347.846 4.317 50 0 EIAARN C[C@H](N[C@@H](c1nccs1)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000096478553 563955162 /nfs/dbraw/zinc/95/51/62/563955162.db2.gz LMXZPOPDEIHEAL-SCLBCKFNSA-N 0 0 341.480 4.072 50 0 EIAARN CCCn1ncc(-c2ccnc(N[C@@H](C)c3ccc(F)cc3)n2)c1C ZINC000063869379 563956312 /nfs/dbraw/zinc/95/63/12/563956312.db2.gz IQWLXDCIYXQLIE-ZDUSSCGKSA-N 0 0 339.418 4.371 50 0 EIAARN Cc1ccccc1S(=O)(=O)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000064984239 563957381 /nfs/dbraw/zinc/95/73/81/563957381.db2.gz NCMGOUXLORFTDB-GOSISDBHSA-N 0 0 347.455 4.440 50 0 EIAARN COc1cccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000064984975 563957773 /nfs/dbraw/zinc/95/77/73/563957773.db2.gz OMTLPJJZLUAMKB-INIZCTEOSA-N 0 0 329.400 4.176 50 0 EIAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2cc(C)ccc2OC)no1 ZINC000064984937 563957802 /nfs/dbraw/zinc/95/78/02/563957802.db2.gz APIRDPWFQYGNHX-KRWDZBQOSA-N 0 0 343.427 4.313 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N3CCC(Cn4ccnc4)CC3)cc2)o1 ZINC000065382026 563959049 /nfs/dbraw/zinc/95/90/49/563959049.db2.gz SSDQSKPEWFYZDC-UHFFFAOYSA-N 0 0 349.434 4.004 50 0 EIAARN Cc1nn(C)c2c1[C@@H](/C=C/C=C/c1ccc(Cl)cc1)CC(=O)N2 ZINC000065398028 563959793 /nfs/dbraw/zinc/95/97/93/563959793.db2.gz VMDDOPAQMUYEJK-NWHMWQLCSA-N 0 0 327.815 4.077 50 0 EIAARN Cc1nc[nH]c1[C@H]1CC(=O)Nc2cc3c(cc21)CCc1ccccc1N3 ZINC000065404338 563960007 /nfs/dbraw/zinc/96/00/07/563960007.db2.gz ANKPBXQZVUOSJF-INIZCTEOSA-N 0 0 344.418 4.034 50 0 EIAARN Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2cccnc2)n1 ZINC000065407257 563960335 /nfs/dbraw/zinc/96/03/35/563960335.db2.gz VOAFXLOKZAEFEP-UHFFFAOYSA-N 0 0 343.434 4.207 50 0 EIAARN CCC(CC)n1ncc(C)c1NC(=O)[C@H](C)n1ccnc1C(C)C ZINC000065432324 563960862 /nfs/dbraw/zinc/96/08/62/563960862.db2.gz SPRNWAGJECDKAX-AWEZNQCLSA-N 0 0 331.464 4.072 50 0 EIAARN Fc1ccccc1-n1nc(CCc2ccccc2)nc1[C@@H]1CCCO1 ZINC000065490683 563961471 /nfs/dbraw/zinc/96/14/71/563961471.db2.gz AQKVQTFIXDSBDG-SFHVURJKSA-N 0 0 337.398 4.043 50 0 EIAARN CCC[C@H](C)c1c(-c2ccccc2)ncn1Cc1noc(COC)n1 ZINC000065501169 563961696 /nfs/dbraw/zinc/96/16/96/563961696.db2.gz ROTLFMRURLFATL-AWEZNQCLSA-N 0 0 340.427 4.031 50 0 EIAARN FC(F)(F)[C@@H](OCc1nc(Cc2ccccc2)n[nH]1)c1ccccc1 ZINC000065508817 563961759 /nfs/dbraw/zinc/96/17/59/563961759.db2.gz DMNKYBTYGPXAQH-KRWDZBQOSA-N 0 0 347.340 4.216 50 0 EIAARN Cc1c2ccccc2sc1[C@H]1CC(=O)Nc2c1c(C1CC1)nn2C ZINC000065526258 563961766 /nfs/dbraw/zinc/96/17/66/563961766.db2.gz TUTOGDBSMDVCLH-ZDUSSCGKSA-N 0 0 337.448 4.295 50 0 EIAARN OCCCn1cnc(-c2ccccc2)c1-c1cc(F)c(F)cc1F ZINC000065531837 563961870 /nfs/dbraw/zinc/96/18/70/563961870.db2.gz XXGIJOBDVYJUPP-UHFFFAOYSA-N 0 0 332.325 4.017 50 0 EIAARN Cc1nc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)no1 ZINC000033077057 563963409 /nfs/dbraw/zinc/96/34/09/563963409.db2.gz DIHYAVIFKMJWLM-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN CCCOc1c2cc(NC(=O)CC(C)C)ccc2sc1C(=O)OC ZINC000033123469 563963576 /nfs/dbraw/zinc/96/35/76/563963576.db2.gz LCSFWWIOIPUEGZ-UHFFFAOYSA-N 0 0 349.452 4.461 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)n1 ZINC000033126119 563963652 /nfs/dbraw/zinc/96/36/52/563963652.db2.gz SFBIJNLOMYOMHO-UHFFFAOYSA-N 0 0 341.773 4.497 50 0 EIAARN CC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000033149993 563963998 /nfs/dbraw/zinc/96/39/98/563963998.db2.gz AGKYCEIZFGWGFI-UHFFFAOYSA-N 0 0 340.404 4.475 50 0 EIAARN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Br)s1 ZINC000071214728 563964056 /nfs/dbraw/zinc/96/40/56/563964056.db2.gz FHBRCFYLWUIGMG-UHFFFAOYSA-N 0 0 337.242 4.121 50 0 EIAARN O=C(Nc1nc(C2CC2)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000033167671 563964225 /nfs/dbraw/zinc/96/42/25/563964225.db2.gz HLKNZTPUIGWAKT-UHFFFAOYSA-N 0 0 329.356 4.067 50 0 EIAARN O=C(c1ccccc1O)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071416131 563964376 /nfs/dbraw/zinc/96/43/76/563964376.db2.gz FMTBCTOEQAJOSW-HNNXBMFYSA-N 0 0 327.399 4.016 50 0 EIAARN Cc1[nH]cnc1-c1nccn1CC[C@H](c1ccco1)c1ccccc1 ZINC000071615066 563964681 /nfs/dbraw/zinc/96/46/81/563964681.db2.gz JTTCBTCOBBSQAW-KRWDZBQOSA-N 0 0 332.407 4.397 50 0 EIAARN CCc1[nH]c2c(cc(C)cc2CNC(=O)Nc2c(C)noc2C)c1C ZINC000071721401 563964819 /nfs/dbraw/zinc/96/48/19/563964819.db2.gz RSZKPZHQQVNSNR-UHFFFAOYSA-N 0 0 340.427 4.274 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(O)c1 ZINC000071738461 563964915 /nfs/dbraw/zinc/96/49/15/563964915.db2.gz YRMLGOUIGSHBOO-QGZVFWFLSA-N 0 0 341.426 4.325 50 0 EIAARN FC(F)Oc1ccccc1-c1nccn1CCCc1cccnc1 ZINC000071764249 563965468 /nfs/dbraw/zinc/96/54/68/563965468.db2.gz JZPCWUSTGPJSKN-UHFFFAOYSA-N 0 0 329.350 4.179 50 0 EIAARN c1cn(CCc2nc3ccccc3[nH]2)c(-c2ccc3ccccc3n2)n1 ZINC000071765466 563965520 /nfs/dbraw/zinc/96/55/20/563965520.db2.gz LFDSPPBQPLPQRP-UHFFFAOYSA-N 0 0 339.402 4.217 50 0 EIAARN O=C(CN(Cc1ccccc1)Cc1ccccc1)OCc1ccccc1 ZINC000071782733 563965818 /nfs/dbraw/zinc/96/58/18/563965818.db2.gz CGUUNCXYRZIRJH-UHFFFAOYSA-N 0 0 345.442 4.432 50 0 EIAARN CCc1cccc(Nc2nc(N)c(C(=O)c3ccc(F)cc3)s2)c1 ZINC000033251782 563966075 /nfs/dbraw/zinc/96/60/75/563966075.db2.gz DXBVLQVKTDZZJB-UHFFFAOYSA-N 0 0 341.411 4.401 50 0 EIAARN CC[C@@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccsc3)n2)c1 ZINC000033257487 563966196 /nfs/dbraw/zinc/96/61/96/563966196.db2.gz IQKXLABGUWZCGJ-LLVKDONJSA-N 0 0 342.424 4.385 50 0 EIAARN CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 ZINC000033257459 563966213 /nfs/dbraw/zinc/96/62/13/563966213.db2.gz COCYOLKNTUOQEJ-UHFFFAOYSA-N 0 0 340.358 4.073 50 0 EIAARN CC(C)NC(=O)c1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 ZINC000033257738 563966229 /nfs/dbraw/zinc/96/62/29/563966229.db2.gz CNGIMHIEMQUIKD-UHFFFAOYSA-N 0 0 341.798 4.195 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257688 563966242 /nfs/dbraw/zinc/96/62/42/563966242.db2.gz ZUVOJEDKOXYOQO-UHFFFAOYSA-N 0 0 337.354 4.396 50 0 EIAARN COc1cccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)c1 ZINC000033257674 563966245 /nfs/dbraw/zinc/96/62/45/563966245.db2.gz ONWNTZIWCVDCKS-UHFFFAOYSA-N 0 0 349.390 4.265 50 0 EIAARN Cc1ncc(CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)s1 ZINC000097094737 563967401 /nfs/dbraw/zinc/96/74/01/563967401.db2.gz SMMWEZIBFZAVJG-UHFFFAOYSA-N 0 0 329.450 4.215 50 0 EIAARN CC[C@H](NC(=O)N1CCC[C@H]1c1ccc(COC)o1)c1cccs1 ZINC000097095024 563967431 /nfs/dbraw/zinc/96/74/31/563967431.db2.gz SLFAXDGDIICSOL-GJZGRUSLSA-N 0 0 348.468 4.485 50 0 EIAARN O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000000031578 563967568 /nfs/dbraw/zinc/96/75/68/563967568.db2.gz SBEGHRVMEAQORX-UHFFFAOYSA-N 0 0 330.362 4.116 50 0 EIAARN Cc1csc([C@H](C)CNC(=O)Nc2ccc3[nH]c(C)cc3c2)n1 ZINC000097113243 563967904 /nfs/dbraw/zinc/96/79/04/563967904.db2.gz DCRCDJMFOWHQLR-SNVBAGLBSA-N 0 0 328.441 4.166 50 0 EIAARN CC(C)Cn1nccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000076937549 563968514 /nfs/dbraw/zinc/96/85/14/563968514.db2.gz KTRRWTBFNOMKHT-OAHLLOKOSA-N 0 0 330.432 4.281 50 0 EIAARN O=C(COc1ccc(Br)cc1)Oc1ccccc1Cl ZINC000000038630 563968620 /nfs/dbraw/zinc/96/86/20/563968620.db2.gz YWSMNCHKAZCSMW-UHFFFAOYSA-N 0 0 341.588 4.087 50 0 EIAARN COCCC[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000077301050 563968834 /nfs/dbraw/zinc/96/88/34/563968834.db2.gz FEAUYXMRNBQXJZ-CQSZACIVSA-N 0 0 340.851 4.162 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc3c(C)c(C)ccc23)on1 ZINC000077353392 563969098 /nfs/dbraw/zinc/96/90/98/563969098.db2.gz LGLYYTBJAOFLFP-SFHVURJKSA-N 0 0 349.434 4.434 50 0 EIAARN CN(C(=O)c1c[nH]nc1-c1cccs1)[C@H]1CCCc2ccccc21 ZINC000077377790 563969287 /nfs/dbraw/zinc/96/92/87/563969287.db2.gz DNTOQJMPCQCPDS-INIZCTEOSA-N 0 0 337.448 4.288 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000077452620 563969708 /nfs/dbraw/zinc/96/97/08/563969708.db2.gz WEHXPWSPNWQOCZ-LJQANCHMSA-N 0 0 332.451 4.019 50 0 EIAARN Cc1ccccc1[C@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000077452624 563969715 /nfs/dbraw/zinc/96/97/15/563969715.db2.gz WEHXPWSPNWQOCZ-IBGZPJMESA-N 0 0 332.451 4.019 50 0 EIAARN Cc1cccc([C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)c1 ZINC000077517574 563970170 /nfs/dbraw/zinc/97/01/70/563970170.db2.gz SNICEDSHEAWPKS-FQEVSTJZSA-N 0 0 345.446 4.201 50 0 EIAARN O=C(NCCc1cn(Cc2ccccc2)c2ccccc12)c1ccco1 ZINC000016887477 563970463 /nfs/dbraw/zinc/97/04/63/563970463.db2.gz OIWGZFYSIRCSMT-UHFFFAOYSA-N 0 0 344.414 4.255 50 0 EIAARN CN(Cc1ccc(Cl)s1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000097212546 563970500 /nfs/dbraw/zinc/97/05/00/563970500.db2.gz LXEYIHBZMAQQHF-UHFFFAOYSA-N 0 0 325.836 4.477 50 0 EIAARN S=C1N[C@H](c2ccccc2)[C@H]2CCC/C(=C/c3ccccc3)[C@H]2N1 ZINC000096931137 563970720 /nfs/dbraw/zinc/97/07/20/563970720.db2.gz GKAOLMKVJJNZGU-YLQYJQFQSA-N 0 0 334.488 4.458 50 0 EIAARN Cc1cnc(CN[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 ZINC000097033056 563971241 /nfs/dbraw/zinc/97/12/41/563971241.db2.gz MKMIHJSAHPLKDX-OAHLLOKOSA-N 0 0 335.407 4.086 50 0 EIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc2nc(C)cn2c1 ZINC000082098308 563972213 /nfs/dbraw/zinc/97/22/13/563972213.db2.gz NDPHFMABMSYDHF-GOSISDBHSA-N 0 0 336.439 4.041 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H]2c2nccs2)c2ccc(F)cc2n1 ZINC000082115954 563972418 /nfs/dbraw/zinc/97/24/18/563972418.db2.gz HBMLWTCTAWUWQY-MRXNPFEDSA-N 0 0 341.411 4.116 50 0 EIAARN O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1C[C@H]2C[C@@H]1CCC2 ZINC000082125818 563972524 /nfs/dbraw/zinc/97/25/24/563972524.db2.gz BLVMCZDRXMYRHM-QAPCUYQASA-N 0 0 331.419 4.016 50 0 EIAARN CCc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2cccs2)o1 ZINC000082135166 563972600 /nfs/dbraw/zinc/97/26/00/563972600.db2.gz KKNALJLDYGYVBK-AWEZNQCLSA-N 0 0 332.469 4.234 50 0 EIAARN COCC1(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)CCC1 ZINC000082138700 563972648 /nfs/dbraw/zinc/97/26/48/563972648.db2.gz IIMNCZOJJSTGMD-UHFFFAOYSA-N 0 0 339.435 4.254 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCc4ccccc43)[nH]n2)o1 ZINC000082156120 563972760 /nfs/dbraw/zinc/97/27/60/563972760.db2.gz RTELOPQFACSIDA-SFHVURJKSA-N 0 0 335.407 4.128 50 0 EIAARN c1cn(CC2CC2)c([C@@H]2CCCN(c3nccc4ccccc43)C2)n1 ZINC000082166418 563972872 /nfs/dbraw/zinc/97/28/72/563972872.db2.gz IFQUTTNFERMKSX-GOSISDBHSA-N 0 0 332.451 4.225 50 0 EIAARN CCN(CC)c1cc(CNC(=O)Nc2cc(Cl)ccc2C)ccn1 ZINC000033280250 563972963 /nfs/dbraw/zinc/97/29/63/563972963.db2.gz ZYHGCLBUFWVJKY-UHFFFAOYSA-N 0 0 346.862 4.211 50 0 EIAARN CCc1nc2cc(CCC(=O)Nc3ccc(F)c(Cl)c3)ccc2[nH]1 ZINC000033290546 563973029 /nfs/dbraw/zinc/97/30/29/563973029.db2.gz JZJPGTULUVMEOF-UHFFFAOYSA-N 0 0 345.805 4.489 50 0 EIAARN CCN(Cc1cccs1)C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000060675685 563973141 /nfs/dbraw/zinc/97/31/41/563973141.db2.gz WJCQFLFFHVZONN-UHFFFAOYSA-N 0 0 339.464 4.213 50 0 EIAARN O=C(c1ccsc1)N1CCC(CCOc2ccccc2F)CC1 ZINC000033311819 563973564 /nfs/dbraw/zinc/97/35/64/563973564.db2.gz OAZKJCOLJMRUQO-UHFFFAOYSA-N 0 0 333.428 4.209 50 0 EIAARN Cc1nn(C(=O)OC(C)(C)C)c2cc(F)c(Br)cc12 ZINC000085220987 563973739 /nfs/dbraw/zinc/97/37/39/563973739.db2.gz HWXUZPRTYBBNCH-UHFFFAOYSA-N 0 0 329.169 4.030 50 0 EIAARN CCC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1 ZINC000086029381 563974038 /nfs/dbraw/zinc/97/40/38/563974038.db2.gz VWMUCEDXVAQLNS-UHFFFAOYSA-N 0 0 326.392 4.253 50 0 EIAARN O=C(CCc1ccc(F)c(Cl)c1)NCc1ccc(C2CC2)nc1 ZINC000585150203 563974217 /nfs/dbraw/zinc/97/42/17/563974217.db2.gz JYVRQIIULINNEJ-UHFFFAOYSA-N 0 0 332.806 4.001 50 0 EIAARN Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3CC(C)C)cc1 ZINC000585157937 563974491 /nfs/dbraw/zinc/97/44/91/563974491.db2.gz RFEBWQKTBWEWDC-SFHVURJKSA-N 0 0 346.434 4.251 50 0 EIAARN O=C1N[C@](c2ccccc2)(C(F)(F)F)Sc2nc3ccccc3n21 ZINC000000083937 563974909 /nfs/dbraw/zinc/97/49/09/563974909.db2.gz DOVXOVCWHSYBPS-HNNXBMFYSA-N 0 0 349.337 4.115 50 0 EIAARN CC(C)c1noc([C@@H]2CCCN2C(=O)c2ccc3sccc3c2)n1 ZINC000091270177 563975139 /nfs/dbraw/zinc/97/51/39/563975139.db2.gz YLLJYULSRPLVSO-AWEZNQCLSA-N 0 0 341.436 4.385 50 0 EIAARN Cc1csc(N(C)C(=O)c2cc(Cl)ccc2Br)n1 ZINC000133632323 563976396 /nfs/dbraw/zinc/97/63/96/563976396.db2.gz SNHNJSPRJNQOAK-UHFFFAOYSA-N 0 0 345.649 4.144 50 0 EIAARN N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cccc(Cl)c1 ZINC000016399027 563976468 /nfs/dbraw/zinc/97/64/68/563976468.db2.gz DLRGEAGYBJTKRR-UHFFFAOYSA-N 0 0 333.174 4.471 50 0 EIAARN CCCn1nc(C)cc1NC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000095524081 563977412 /nfs/dbraw/zinc/97/74/12/563977412.db2.gz ACPWBMSMPVUGJD-HNNXBMFYSA-N 0 0 346.862 4.276 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)N1CCC[C@H]1c1ccccn1 ZINC000095525767 563977440 /nfs/dbraw/zinc/97/74/40/563977440.db2.gz LGFLDYVHMRBABM-KRWDZBQOSA-N 0 0 339.443 4.152 50 0 EIAARN Fc1cccc(Cl)c1-c1nc2cc[nH]c(Br)c-2n1 ZINC000095829764 563977673 /nfs/dbraw/zinc/97/76/73/563977673.db2.gz CXHFMWJKXXKALI-UHFFFAOYSA-N 0 0 326.556 4.180 50 0 EIAARN COc1ccc(NC(=O)NCCC2=CCCCC2)cc1OC(F)F ZINC000043995554 563977693 /nfs/dbraw/zinc/97/76/93/563977693.db2.gz XXLMEJUSWLSDSL-UHFFFAOYSA-N 0 0 340.370 4.309 50 0 EIAARN CCN(CC)C(=O)c1ccc(-c2ccccc2-c2nnc(C)o2)cc1 ZINC000096148950 563979615 /nfs/dbraw/zinc/97/96/15/563979615.db2.gz PYEWAHDOZHTFMT-UHFFFAOYSA-N 0 0 335.407 4.194 50 0 EIAARN CCCSc1ccccc1NC(=O)N(C)Cc1nc(C2CC2)no1 ZINC000096161477 563979828 /nfs/dbraw/zinc/97/98/28/563979828.db2.gz GACQRMSJIUSRPJ-UHFFFAOYSA-N 0 0 346.456 4.113 50 0 EIAARN c1c2ccccc2oc1-c1nnc2sc(CCc3ccccc3)nn21 ZINC000096193869 563980096 /nfs/dbraw/zinc/98/00/96/563980096.db2.gz PPJMKUXFXZBJBP-UHFFFAOYSA-N 0 0 346.415 4.384 50 0 EIAARN O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000096287843 563980703 /nfs/dbraw/zinc/98/07/03/563980703.db2.gz ZHROHXUSNRXPSJ-BMGDILEWSA-N 0 0 339.822 4.413 50 0 EIAARN c1cnc2oc(Nc3ccc(Nc4nc5cccnc5o4)cc3)nc2c1 ZINC000096318517 563980731 /nfs/dbraw/zinc/98/07/31/563980731.db2.gz NXLUCRVLBLZPKL-UHFFFAOYSA-N 0 0 344.334 4.246 50 0 EIAARN Cc1ocnc1C(=O)N(Cc1cccnc1)[C@H]1CCCc2ccccc21 ZINC000097212999 563981422 /nfs/dbraw/zinc/98/14/22/563981422.db2.gz VUTBHXKEEDPEJP-IBGZPJMESA-N 0 0 347.418 4.098 50 0 EIAARN C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 ZINC000044103265 563981439 /nfs/dbraw/zinc/98/14/39/563981439.db2.gz HSGJVTCVFTZKGF-LBPRGKRZSA-N 0 0 341.386 4.057 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103487 563981456 /nfs/dbraw/zinc/98/14/56/563981456.db2.gz KENICADDPDIURM-UHFFFAOYSA-N 0 0 343.814 4.010 50 0 EIAARN O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1Cl ZINC000247800299 563981668 /nfs/dbraw/zinc/98/16/68/563981668.db2.gz VAACTTPNVPNLFH-STQMWFEESA-N 0 0 341.282 4.444 50 0 EIAARN Cc1ccc(CCCC(=O)Nc2ccc(-n3cccn3)cc2)s1 ZINC000257173106 563984218 /nfs/dbraw/zinc/98/42/18/563984218.db2.gz CSOHMRBLBJGLKB-UHFFFAOYSA-N 0 0 325.437 4.204 50 0 EIAARN O=C(COC(=O)c1ccsc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000060901182 563984247 /nfs/dbraw/zinc/98/42/47/563984247.db2.gz AKRSJEMRQJBLJG-UHFFFAOYSA-N 0 0 334.396 4.359 50 0 EIAARN Cc1cc(Nc2ccc(F)cc2)n2nc(-c3ccccc3C)nc2n1 ZINC000014610485 563986155 /nfs/dbraw/zinc/98/61/55/563986155.db2.gz WFOQLTUMYARBIQ-UHFFFAOYSA-N 0 0 333.370 4.291 50 0 EIAARN Cc1nc2c(sc(=S)n2-c2ccccc2)c(N2CCCC2)n1 ZINC000000105849 563986460 /nfs/dbraw/zinc/98/64/60/563986460.db2.gz CKOPKDCYLZHBDH-UHFFFAOYSA-N 0 0 328.466 4.120 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)C1SCSCS1 ZINC000000114529 563986611 /nfs/dbraw/zinc/98/66/11/563986611.db2.gz QCRFKISKXPJLEO-UHFFFAOYSA-N 0 0 325.402 4.098 50 0 EIAARN CCOc1cc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)ccc1O ZINC000000111995 563986620 /nfs/dbraw/zinc/98/66/20/563986620.db2.gz MDJUROSSSXYPBE-UHFFFAOYSA-N 0 0 340.375 4.190 50 0 biogenic EIAARN COc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000122718 563986847 /nfs/dbraw/zinc/98/68/47/563986847.db2.gz OXAGLMPUASEGAP-UHFFFAOYSA-N 0 0 347.164 4.356 50 0 biogenic EIAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCC2 ZINC000000127173 563986874 /nfs/dbraw/zinc/98/68/74/563986874.db2.gz XIHCPWRFXLFNOQ-UHFFFAOYSA-N 0 0 328.437 4.146 50 0 EIAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000000145888 563987218 /nfs/dbraw/zinc/98/72/18/563987218.db2.gz SYDVUJBKMSUPLY-UHFFFAOYSA-N 0 0 327.771 4.204 50 0 EIAARN Cc1cc(C)c2oc(-c3ccc(Br)o3)c(O)c(=O)c2c1 ZINC000000150940 563987407 /nfs/dbraw/zinc/98/74/07/563987407.db2.gz HNLJDORGQSOUPV-UHFFFAOYSA-N 0 0 335.153 4.138 50 0 EIAARN Cc1cc2sc(NC(=O)c3ccc(N(C)C)cc3)nc2c(C)c1 ZINC000000189366 563988033 /nfs/dbraw/zinc/98/80/33/563988033.db2.gz KNXJXGAWOIQVOJ-UHFFFAOYSA-N 0 0 325.437 4.231 50 0 EIAARN Cc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000000186951 563988062 /nfs/dbraw/zinc/98/80/62/563988062.db2.gz LLHKPMXCYCNHRC-UHFFFAOYSA-N 0 0 326.399 4.285 50 0 EIAARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 ZINC000000190302 563988105 /nfs/dbraw/zinc/98/81/05/563988105.db2.gz LQYPKFMVJQWSEK-UHFFFAOYSA-N 0 0 349.459 4.488 50 0 EIAARN O=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)[C@H]1N1CCCCC1 ZINC000000205932 563988491 /nfs/dbraw/zinc/98/84/91/563988491.db2.gz RFJOHFMXEIPMJX-RTBURBONSA-N 0 0 340.854 4.279 50 0 EIAARN COc1ccc(C)cc1NC(=O)CCn1c2ccccc2oc1=S ZINC000000223763 563988917 /nfs/dbraw/zinc/98/89/17/563988917.db2.gz GALIMZGWDJVNLO-UHFFFAOYSA-N 0 0 342.420 4.310 50 0 EIAARN CC(C)c1ccc(NC(=O)CCn2c3ccccc3sc2=O)cc1 ZINC000000246002 563989219 /nfs/dbraw/zinc/98/92/19/563989219.db2.gz AWIWOQHTLLLSII-UHFFFAOYSA-N 0 0 340.448 4.215 50 0 EIAARN CC(C)Cc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000000269947 563989935 /nfs/dbraw/zinc/98/99/35/563989935.db2.gz LGVIDNMAXLVWPO-UHFFFAOYSA-N 0 0 329.465 4.027 50 0 EIAARN COc1cccc(NC(=O)c2c(C)c(Cl)c(C)nc2Cl)c1 ZINC000000269524 563989949 /nfs/dbraw/zinc/98/99/49/563989949.db2.gz NUHOWEJLDFODTQ-UHFFFAOYSA-N 0 0 325.195 4.266 50 0 EIAARN CCc1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)s1 ZINC000000279898 563990129 /nfs/dbraw/zinc/99/01/29/563990129.db2.gz SCJKBHUQLLHXAB-UHFFFAOYSA-N 0 0 345.468 4.166 50 0 EIAARN COc1ccc(NC(=O)N2CCS[C@@H]2c2ccc(C)cc2)cc1 ZINC000028232241 563990849 /nfs/dbraw/zinc/99/08/49/563990849.db2.gz HFBJGIKFSKGAEE-QGZVFWFLSA-N 0 0 328.437 4.283 50 0 EIAARN Cc1ccc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 ZINC000000306685 563990888 /nfs/dbraw/zinc/99/08/88/563990888.db2.gz LMDUQDIVNDRKKV-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccccc1Cl)CC2 ZINC000000319581 563991132 /nfs/dbraw/zinc/99/11/32/563991132.db2.gz SHODAIZAJAKWNR-LBPRGKRZSA-N 0 0 345.826 4.117 50 0 biogenic EIAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccccc3C)n2)cc1 ZINC000000325173 563991247 /nfs/dbraw/zinc/99/12/47/563991247.db2.gz PHAJYSNEUOODOL-GOSISDBHSA-N 0 0 347.418 4.331 50 0 EIAARN C[NH+](C)CC/C=C1/c2ccccc2SCc2ccc(C(=O)[O-])cc21 ZINC000000347756 563991479 /nfs/dbraw/zinc/99/14/79/563991479.db2.gz JUYBPRHLVVRDCG-APSNUPSMSA-N 0 0 339.460 4.374 50 0 EIAARN Cc1ccnc(NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)c1 ZINC000000365547 563991720 /nfs/dbraw/zinc/99/17/20/563991720.db2.gz LYTKNHXXJFKXPV-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN COc1ccc(/C=C\C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 ZINC000033456450 563992197 /nfs/dbraw/zinc/99/21/97/563992197.db2.gz ADGNMTYOBLMDMP-NFEOESJKSA-N 0 0 325.383 4.215 50 0 EIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNCc1ccccc1 ZINC000061002719 563992294 /nfs/dbraw/zinc/99/22/94/563992294.db2.gz GWZIXJIECYTZJJ-UHFFFAOYSA-N 0 0 339.870 4.491 50 0 EIAARN O=C(OC[C@@H]1CCCCO1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000061045580 563992451 /nfs/dbraw/zinc/99/24/51/563992451.db2.gz CSQJVRHEKCJWFN-INIZCTEOSA-N 0 0 337.375 4.221 50 0 EIAARN CCC(CC)n1ncc(C(=O)Nc2cc(OC)ccc2Cl)c1C ZINC000408513667 563992760 /nfs/dbraw/zinc/99/27/60/563992760.db2.gz JGASKKRAJBNOAU-UHFFFAOYSA-N 0 0 335.835 4.467 50 0 EIAARN Cc1ccc(-c2ncc(C(=O)N(C)CCC(F)(F)F)s2)c(C)c1 ZINC000061193255 563993602 /nfs/dbraw/zinc/99/36/02/563993602.db2.gz XILGGVNFQJZVSA-UHFFFAOYSA-N 0 0 342.386 4.451 50 0 EIAARN C[C@H](CNC(=O)c1cc2oc3ccccc3c2n1C)c1ccccc1 ZINC000005149873 563994694 /nfs/dbraw/zinc/99/46/94/563994694.db2.gz MAXWSFPKBXVRBI-CQSZACIVSA-N 0 0 332.403 4.458 50 0 EIAARN O=C(COCc1ccccc1Cl)Nc1cccc2cccnc21 ZINC000044314062 563995058 /nfs/dbraw/zinc/99/50/58/563995058.db2.gz QCVKTQARBDFGOS-UHFFFAOYSA-N 0 0 326.783 4.044 50 0 EIAARN COC(=O)NCc1ccc(NCc2ccn(Cc3ccccc3)c2)cc1 ZINC000125652189 563995599 /nfs/dbraw/zinc/99/55/99/563995599.db2.gz VOXKACQIZCOLBS-UHFFFAOYSA-N 0 0 349.434 4.005 50 0 EIAARN O=C(Nc1cccc(O)c1F)c1cccc(OC2CCCCC2)c1 ZINC000128424678 563996110 /nfs/dbraw/zinc/99/61/10/563996110.db2.gz MKMFTGFXKJRXGH-UHFFFAOYSA-N 0 0 329.371 4.495 50 0 EIAARN Nc1c(Cl)cc(NC(=O)Cc2ccc3c(c2)CCC3)cc1Cl ZINC000024152076 563996229 /nfs/dbraw/zinc/99/62/29/563996229.db2.gz NJLOLJHVSSWUGV-UHFFFAOYSA-N 0 0 335.234 4.246 50 0 EIAARN Cc1ccc(C)c(C[S@](=O)Cc2csc([C@@H]3CCCO3)n2)c1 ZINC000134274251 563996508 /nfs/dbraw/zinc/99/65/08/563996508.db2.gz UJMFSDMSAQSWCD-KSFYIVLOSA-N 0 0 335.494 4.060 50 0 EIAARN Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)cc1 ZINC000005164261 563996532 /nfs/dbraw/zinc/99/65/32/563996532.db2.gz YWLCFKJXHOOFLH-UHFFFAOYSA-N 0 0 334.419 4.026 50 0 EIAARN Cc1nc2ccc(NC(=S)Nc3ccc(F)cc3)cc2nc1C ZINC000000303185 563996730 /nfs/dbraw/zinc/99/67/30/563996730.db2.gz UVMCMRVNQHJCIS-UHFFFAOYSA-N 0 0 326.400 4.195 50 0 EIAARN COc1ccc(C(NC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000000337609 563996865 /nfs/dbraw/zinc/99/68/65/563996865.db2.gz GLLOENVYNPGGNE-UHFFFAOYSA-N 0 0 347.414 4.223 50 0 EIAARN Cc1cccc(N2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O)c1 ZINC000000341534 563996867 /nfs/dbraw/zinc/99/68/67/563996867.db2.gz PSCZPJFXAKOFKV-UHFFFAOYSA-N 0 0 330.387 4.015 50 0 EIAARN Cc1ccc(OC2CCN(C(=O)C3CCC(F)(F)CC3)CC2)cc1 ZINC000135030839 563996880 /nfs/dbraw/zinc/99/68/80/563996880.db2.gz HTICJMRRJYWYRC-UHFFFAOYSA-N 0 0 337.410 4.190 50 0 EIAARN Cc1nc(-c2ccco2)ccc1C(=O)N(CC1CC1)c1cccnc1 ZINC000135570742 563997475 /nfs/dbraw/zinc/99/74/75/563997475.db2.gz XDWMQIYFTLUDDG-UHFFFAOYSA-N 0 0 333.391 4.102 50 0 EIAARN COC(=O)c1c(F)c(F)c(Oc2ccc(C(C)=O)cc2)c(F)c1F ZINC000000196661 563997578 /nfs/dbraw/zinc/99/75/78/563997578.db2.gz YBAWDEUMTUGSIG-UHFFFAOYSA-N 0 0 342.244 4.025 50 0 EIAARN CCc1ccc([C@@H]2COCCN2C[C@H]2CCC3(CCCCC3)O2)o1 ZINC000252587367 563997947 /nfs/dbraw/zinc/99/79/47/563997947.db2.gz XSLFRLVTTYVSDH-MSOLQXFVSA-N 0 0 333.472 4.097 50 0 EIAARN O=c1c2ccccc2nc(SCc2cccc(F)c2)n1C1CC1 ZINC000000425062 563998505 /nfs/dbraw/zinc/99/85/05/563998505.db2.gz VEJVXAWRCADXFK-UHFFFAOYSA-N 0 0 326.396 4.163 50 0 EIAARN CCSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 ZINC000000422347 563998525 /nfs/dbraw/zinc/99/85/25/563998525.db2.gz RTEQDYSHSQSJFJ-UHFFFAOYSA-N 0 0 325.437 4.363 50 0 EIAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000000427358 563998639 /nfs/dbraw/zinc/99/86/39/563998639.db2.gz NPNGBYIHYOJHJD-UHFFFAOYSA-N 0 0 341.411 4.051 50 0 EIAARN Cc1c(C(=O)Nc2cccc(C)n2)sc2nc(-c3ccccc3)cn12 ZINC000000429800 563999120 /nfs/dbraw/zinc/99/91/20/563999120.db2.gz YZQBEHJFOUBTLN-UHFFFAOYSA-N 0 0 348.431 4.327 50 0 EIAARN O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1ccc(F)cc1 ZINC000000431079 563999411 /nfs/dbraw/zinc/99/94/11/563999411.db2.gz FQYQBCGCCZKSJI-JLLAUFTHSA-N 0 0 327.742 4.489 50 0 EIAARN O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccco1 ZINC000000420905 564000214 /nfs/dbraw/zinc/00/02/14/564000214.db2.gz CKYOKMZTBRVLQO-UHFFFAOYSA-N 0 0 348.427 4.330 50 0 EIAARN Cc1nn(-c2ccccc2)cc1CNc1cccc(OC(F)F)c1 ZINC000075827246 564000598 /nfs/dbraw/zinc/00/05/98/564000598.db2.gz MEVJUCZJEQORIL-UHFFFAOYSA-N 0 0 329.350 4.394 50 0 EIAARN COc1cc(C2=NO[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)ccc1OCc1ccccc1 ZINC000005205304 564000706 /nfs/dbraw/zinc/00/07/06/564000706.db2.gz SJQAZNABLBLTPC-WEMWZYORSA-N 0 0 349.430 4.423 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)OCCOc1ccccc1F ZINC000005244106 564001522 /nfs/dbraw/zinc/00/15/22/564001522.db2.gz KVKMVLNZBWLHAA-UHFFFAOYSA-N 0 0 341.338 4.025 50 0 EIAARN O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccccc1F ZINC000005256016 564001611 /nfs/dbraw/zinc/00/16/11/564001611.db2.gz OCGJBUPPEGMHMK-KRWDZBQOSA-N 0 0 341.411 4.326 50 0 EIAARN COc1ccc(C(=O)Nc2nc3c(s2)c(Cl)ccc3OC)cc1 ZINC000005256572 564001620 /nfs/dbraw/zinc/00/16/20/564001620.db2.gz YUMDYVRUAAXXSB-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN Cc1cc2cc(CNC(=O)Nc3cn(C)c4ccccc34)ccc2[nH]1 ZINC000005265761 564001740 /nfs/dbraw/zinc/00/17/40/564001740.db2.gz XNWNUEOWYGEPLU-UHFFFAOYSA-N 0 0 332.407 4.290 50 0 EIAARN Cc1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1C ZINC000005269199 564002182 /nfs/dbraw/zinc/00/21/82/564002182.db2.gz LAUJPKOEWVYWOA-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN C[C@H](OC(=O)c1cc(Cl)ccc1O)c1nnc(-c2ccccc2)o1 ZINC000005298274 564002393 /nfs/dbraw/zinc/00/23/93/564002393.db2.gz SKANFBSBBPWADX-JTQLQIEISA-N 0 0 344.754 4.014 50 0 EIAARN NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000005306302 564002484 /nfs/dbraw/zinc/00/24/84/564002484.db2.gz HAQCLCJZJWNRQT-UHFFFAOYSA-N 0 0 325.371 4.063 50 0 EIAARN CSCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12 ZINC000005323627 564002617 /nfs/dbraw/zinc/00/26/17/564002617.db2.gz OLZUMFSXVYGMLR-UHFFFAOYSA-N 0 0 340.839 4.461 50 0 EIAARN Cc1ccc(O)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)c1 ZINC000005343925 564002712 /nfs/dbraw/zinc/00/27/12/564002712.db2.gz JZEBSDDPAKQCGZ-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN O=C1CCCC[C@H]1Sc1nnc(-c2ccccc2F)n1C1CC1 ZINC000005333427 564002714 /nfs/dbraw/zinc/00/27/14/564002714.db2.gz DDQIFQYQTRLFBL-OAHLLOKOSA-N 0 0 331.416 4.023 50 0 EIAARN CC(C)COc1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000005384311 564003293 /nfs/dbraw/zinc/00/32/93/564003293.db2.gz SEMYONYYSGIJOY-UHFFFAOYSA-N 0 0 333.815 4.392 50 0 EIAARN Cc1cc(C)c(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1C ZINC000005400446 564003588 /nfs/dbraw/zinc/00/35/88/564003588.db2.gz FPOJHIUPBXJQPF-UHFFFAOYSA-N 0 0 341.480 4.391 50 0 EIAARN CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)=O)cc1 ZINC000005442177 564004036 /nfs/dbraw/zinc/00/40/36/564004036.db2.gz XZJLMTFIOQVNAL-UHFFFAOYSA-N 0 0 325.408 4.032 50 0 EIAARN O=C(CSc1ccccn1)Nc1ccc(SC(F)F)cc1 ZINC000003169741 564004121 /nfs/dbraw/zinc/00/41/21/564004121.db2.gz PCOCUIYOAXUYPM-UHFFFAOYSA-N 0 0 326.393 4.127 50 0 EIAARN CSc1cc(-c2csc([C@H]3CCCO3)n2)ccc1NC(C)=O ZINC000136481841 564004153 /nfs/dbraw/zinc/00/41/53/564004153.db2.gz BCBMFQZESHJTES-CQSZACIVSA-N 0 0 334.466 4.342 50 0 EIAARN O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccc(F)cc1 ZINC000005498159 564004722 /nfs/dbraw/zinc/00/47/22/564004722.db2.gz YNKRMQCIGDFPDA-UHFFFAOYSA-N 0 0 334.350 4.478 50 0 EIAARN C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005528775 564004999 /nfs/dbraw/zinc/00/49/99/564004999.db2.gz NWHZVSMGAGNZPB-NSHDSACASA-N 0 0 343.345 4.156 50 0 EIAARN Cc1ccccc1Cn1c(CCCNC(=O)C(C)C)nc2ccccc21 ZINC000005545947 564005191 /nfs/dbraw/zinc/00/51/91/564005191.db2.gz IVRMUFLJRPMCNA-UHFFFAOYSA-N 0 0 349.478 4.098 50 0 EIAARN O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1cccs1 ZINC000005548492 564005229 /nfs/dbraw/zinc/00/52/29/564005229.db2.gz WHADRLOAKUKOPT-UHFFFAOYSA-N 0 0 346.791 4.216 50 0 EIAARN CCc1cccc(OCC(=O)Nc2cccc(Br)c2)c1 ZINC000005558289 564005445 /nfs/dbraw/zinc/00/54/45/564005445.db2.gz OARROXYFKWOUPJ-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000007980747 564005783 /nfs/dbraw/zinc/00/57/83/564005783.db2.gz COWRQMLHWRACAN-UHFFFAOYSA-N 0 0 349.789 4.226 50 0 EIAARN CCOc1ccc(OCCCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000005557453 564006071 /nfs/dbraw/zinc/00/60/71/564006071.db2.gz LVWDQFGXXABSCA-UHFFFAOYSA-N 0 0 341.407 4.086 50 0 EIAARN COc1ccccc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000005558457 564006074 /nfs/dbraw/zinc/00/60/74/564006074.db2.gz WEQCTWHEGHFOJZ-UHFFFAOYSA-N 0 0 333.387 4.380 50 0 EIAARN CCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000005602593 564006291 /nfs/dbraw/zinc/00/62/91/564006291.db2.gz GLZOFNSSQBZPAL-UHFFFAOYSA-N 0 0 346.235 4.193 50 0 EIAARN COc1cc(C)c(NC(=O)Cc2coc3cc(C)ccc23)cc1OC ZINC000005616591 564006473 /nfs/dbraw/zinc/00/64/73/564006473.db2.gz VIWRSDXRJIXFCB-UHFFFAOYSA-N 0 0 339.391 4.248 50 0 EIAARN COc1ccccc1-n1cnnc1SCc1cc(C)ccc1C ZINC000006534761 564006600 /nfs/dbraw/zinc/00/66/00/564006600.db2.gz SRHUYAJOUWUYGI-UHFFFAOYSA-N 0 0 325.437 4.185 50 0 EIAARN COc1ccccc1NC(=O)[C@H](C)Sc1ccc2ccccc2n1 ZINC000005627101 564006690 /nfs/dbraw/zinc/00/66/90/564006690.db2.gz OMFRMMGDNIMSHM-ZDUSSCGKSA-N 0 0 338.432 4.363 50 0 EIAARN CC(=O)O[C@@H]1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1 ZINC000005632056 564006759 /nfs/dbraw/zinc/00/67/59/564006759.db2.gz YHGAJNCPGNEYSX-QGZVFWFLSA-N 0 0 335.403 4.167 50 0 EIAARN COc1ccccc1CC(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000005637448 564006855 /nfs/dbraw/zinc/00/68/55/564006855.db2.gz LXTXXDWBESKWQE-UHFFFAOYSA-N 0 0 326.421 4.103 50 0 EIAARN CCCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1 ZINC000008938095 564007259 /nfs/dbraw/zinc/00/72/59/564007259.db2.gz XZICEUODZOTFBE-UHFFFAOYSA-N 0 0 340.901 4.158 50 0 EIAARN CCc1ccsc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273295312 564007700 /nfs/dbraw/zinc/00/77/00/564007700.db2.gz LWMKZGRFQSLXEV-DLBZAZTESA-N 0 0 347.455 4.442 50 0 EIAARN CCc1ncc(NC(=O)c2csc(-c3ccc(C)cc3C)n2)cn1 ZINC000155502719 564008187 /nfs/dbraw/zinc/00/81/87/564008187.db2.gz KDXYGKGSKGIWCL-UHFFFAOYSA-N 0 0 338.436 4.032 50 0 EIAARN C[C@@H]1C[C@@H](C)N(C(=O)c2cc(C3CC3)nc3ccccc32)c2ccnn21 ZINC000081031848 564008794 /nfs/dbraw/zinc/00/87/94/564008794.db2.gz CJSDKLSHZNNZJH-ZIAGYGMSSA-N 0 0 346.434 4.309 50 0 EIAARN Cc1cc2c(cc1NC(=O)N1CCC[C@@H]1c1cccs1)OCO2 ZINC000180084514 564009162 /nfs/dbraw/zinc/00/91/62/564009162.db2.gz ORVMMDCNTROPHE-CYBMUJFWSA-N 0 0 330.409 4.154 50 0 EIAARN CCOc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)c(OCC)c1 ZINC000017299838 564011604 /nfs/dbraw/zinc/01/16/04/564011604.db2.gz BIZXHGQMSQSCTC-HMHNVIDESA-N 0 0 349.452 4.319 50 0 EIAARN CC(C)(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1 ZINC000017360961 564011787 /nfs/dbraw/zinc/01/17/87/564011787.db2.gz KMYCLWIBHWNWOY-UHFFFAOYSA-N 0 0 349.228 4.100 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(Cl)c1 ZINC000017371248 564011835 /nfs/dbraw/zinc/01/18/35/564011835.db2.gz GEUMSDBGSGUVAT-UHFFFAOYSA-N 0 0 339.826 4.073 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000000089566 564012265 /nfs/dbraw/zinc/01/22/65/564012265.db2.gz ULFXUQARNWBNLJ-LSDHHAIUSA-N 0 0 343.448 4.284 50 0 EIAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000348628 564012387 /nfs/dbraw/zinc/01/23/87/564012387.db2.gz RYYAGGUQDJFPMF-UHFFFAOYSA-N 0 0 337.828 4.393 50 0 EIAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000000361843 564012422 /nfs/dbraw/zinc/01/24/22/564012422.db2.gz ZIRJVMIYAFFXNB-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Cl)s1 ZINC000000461227 564012651 /nfs/dbraw/zinc/01/26/51/564012651.db2.gz OLRFBAWAKDHQAP-UHFFFAOYSA-N 0 0 329.830 4.200 50 0 EIAARN COC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000610079 564012873 /nfs/dbraw/zinc/01/28/73/564012873.db2.gz JOOTVQWLGUFWKO-NSHDSACASA-N 0 0 349.839 4.246 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1 ZINC000002631406 564013416 /nfs/dbraw/zinc/01/34/16/564013416.db2.gz HWIWGYZWLZZVSS-UHFFFAOYSA-N 0 0 329.197 4.112 50 0 EIAARN CCOc1ccccc1C(=O)Nc1ccc(Br)cc1C ZINC000002834049 564013451 /nfs/dbraw/zinc/01/34/51/564013451.db2.gz GIWFQSISQKYNSF-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ccc3ccc(Cl)cc3n2)c(C)n1 ZINC000176906960 564013605 /nfs/dbraw/zinc/01/36/05/564013605.db2.gz RYNNKFWOAUIFGP-UHFFFAOYSA-N 0 0 325.799 4.461 50 0 EIAARN COc1ccccc1COc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000000484944 564016910 /nfs/dbraw/zinc/01/69/10/564016910.db2.gz OAXYXXARMJVCRW-UHFFFAOYSA-N 0 0 336.387 4.178 50 0 biogenic EIAARN Brc1ccc2c(c1)[nH]cc2C1=CCC2(CC1)OCCO2 ZINC000169677495 564017165 /nfs/dbraw/zinc/01/71/65/564017165.db2.gz KTMSKJVZTYGQMW-UHFFFAOYSA-N 0 0 334.213 4.241 50 0 EIAARN CCOC(=O)Oc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O ZINC000000491189 564017623 /nfs/dbraw/zinc/01/76/23/564017623.db2.gz WUKMQLRVZIRZAL-UHFFFAOYSA-N 0 0 340.331 4.004 50 0 biogenic EIAARN CCCCc1ccc(C(=O)NCC(=O)Nc2cccc(C)c2C)cc1 ZINC000018044662 564017831 /nfs/dbraw/zinc/01/78/31/564017831.db2.gz TYUZAMQXJBBYIE-UHFFFAOYSA-N 0 0 338.451 4.015 50 0 EIAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 ZINC000000494266 564017835 /nfs/dbraw/zinc/01/78/35/564017835.db2.gz PDPGROKNZXOTHB-TZIWHRDSSA-N 0 0 327.387 4.324 50 0 EIAARN CCCn1c2ccccc2nc1NCc1ccc(OC)c(OC)c1 ZINC000000499692 564018448 /nfs/dbraw/zinc/01/84/48/564018448.db2.gz LKUAVZXMYSMBMY-UHFFFAOYSA-N 0 0 325.412 4.076 50 0 EIAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc1C ZINC000018195084 564018660 /nfs/dbraw/zinc/01/86/60/564018660.db2.gz XKANBNSXKYARAL-UHFFFAOYSA-N 0 0 337.448 4.236 50 0 EIAARN CC1(C)Cc2nc3scc(NC(=O)c4ccccc4)c3cc2CO1 ZINC000000503444 564019178 /nfs/dbraw/zinc/01/91/78/564019178.db2.gz DYDMWTPFTRETEX-UHFFFAOYSA-N 0 0 338.432 4.400 50 0 EIAARN CCc1ccc(Nc2nnc(SCc3cc(C)on3)s2)cc1 ZINC000005702404 564019493 /nfs/dbraw/zinc/01/94/93/564019493.db2.gz HPZWVJSUECGBNY-UHFFFAOYSA-N 0 0 332.454 4.433 50 0 EIAARN O=C(Nc1ccccc1C(=O)NC1CCCCCC1)c1ccccc1 ZINC000000509477 564019872 /nfs/dbraw/zinc/01/98/72/564019872.db2.gz XGHYDCSWFOLCJQ-UHFFFAOYSA-N 0 0 336.435 4.392 50 0 EIAARN Cc1cccc(OC(=O)COc2ccc(C)cc2Br)c1 ZINC000000510926 564020068 /nfs/dbraw/zinc/02/00/68/564020068.db2.gz SIYROIFVLOMFNN-UHFFFAOYSA-N 0 0 335.197 4.050 50 0 EIAARN Cc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000000521279 564021039 /nfs/dbraw/zinc/02/10/39/564021039.db2.gz ZFOKFIWEZUUGHG-SFHVURJKSA-N 0 0 347.505 4.048 50 0 EIAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(C)c(C)cc1C ZINC000000522526 564021106 /nfs/dbraw/zinc/02/11/06/564021106.db2.gz SSUJSWKOPXFZJO-UHFFFAOYSA-N 0 0 336.391 4.132 50 0 EIAARN CCCn1nc(NC(=O)c2ccc(F)cc2)c2cc3ccccc3nc21 ZINC000000530520 564021509 /nfs/dbraw/zinc/02/15/09/564021509.db2.gz FYMJWNWOKTUVJK-UHFFFAOYSA-N 0 0 348.381 4.386 50 0 EIAARN c1ccc(CCNc2nc(-c3ccccn3)nc3ccccc32)cc1 ZINC000000532702 564021564 /nfs/dbraw/zinc/02/15/64/564021564.db2.gz FIBATSPGNRZQTN-UHFFFAOYSA-N 0 0 326.403 4.346 50 0 EIAARN CC[C@@H](C)Nc1nc(SC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000000535010 564022058 /nfs/dbraw/zinc/02/20/58/564022058.db2.gz WJLDJLSRJYNFSG-SECBINFHSA-N 0 0 337.514 4.475 50 0 EIAARN Cc1nc2sc(C(=O)c3ccccc3F)c(N)c2c2c1CCCC2 ZINC000000535466 564022092 /nfs/dbraw/zinc/02/20/92/564022092.db2.gz UTSOHYBBAZYXAG-UHFFFAOYSA-N 0 0 340.423 4.436 50 0 EIAARN COc1ccc2[nH]c3c(ncnc3NCc3ccccc3Cl)c2c1 ZINC000000542465 564022417 /nfs/dbraw/zinc/02/24/17/564022417.db2.gz LDGFXWVREJVJQI-UHFFFAOYSA-N 0 0 338.798 4.385 50 0 EIAARN CCOC(=O)[C@H](Cc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000000551853 564022978 /nfs/dbraw/zinc/02/29/78/564022978.db2.gz GJIZISOUDZIGHZ-CYBMUJFWSA-N 0 0 328.799 4.106 50 0 EIAARN COC(=O)c1cccc(NC(=O)CCSc2ccc(C)cc2)c1C ZINC000000555088 564023084 /nfs/dbraw/zinc/02/30/84/564023084.db2.gz ZHDJKZLJGAOMFX-UHFFFAOYSA-N 0 0 343.448 4.211 50 0 EIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)cc1 ZINC000000560756 564023240 /nfs/dbraw/zinc/02/32/40/564023240.db2.gz PWAZQMJFISWKGD-UHFFFAOYSA-N 0 0 334.419 4.427 50 0 EIAARN Cc1cccc(NC(=O)N[C@@H](C)c2cccnc2)c1Br ZINC000120513807 564023513 /nfs/dbraw/zinc/02/35/13/564023513.db2.gz OQYKYFNQALIHIL-NSHDSACASA-N 0 0 334.217 4.035 50 0 EIAARN Cc1ccc(C)c(NC(=O)CN2c3cccc4cccc(c34)C2=O)c1 ZINC000000572050 564023786 /nfs/dbraw/zinc/02/37/86/564023786.db2.gz LVHPBDOTUSVYRJ-UHFFFAOYSA-N 0 0 330.387 4.056 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000005748450 564025014 /nfs/dbraw/zinc/02/50/14/564025014.db2.gz AIYIRMPXLZCNMR-CYBMUJFWSA-N 0 0 345.826 4.189 50 0 EIAARN COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)c(OC)c1OC ZINC000046837475 564025414 /nfs/dbraw/zinc/02/54/14/564025414.db2.gz LAOHZYIPHZJICH-SNVBAGLBSA-N 0 0 341.860 4.278 50 0 EIAARN Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@@H]3c3ccsc3)c2)cs1 ZINC000046913220 564025476 /nfs/dbraw/zinc/02/54/76/564025476.db2.gz MXAOAXNUISJWHQ-MRXNPFEDSA-N 0 0 343.477 4.485 50 0 EIAARN COC(=O)c1c(NCCc2ccc(C)cc2)onc1-c1ccccc1 ZINC000046914765 564025621 /nfs/dbraw/zinc/02/56/21/564025621.db2.gz JPPRNPMAOOVBOZ-UHFFFAOYSA-N 0 0 336.391 4.091 50 0 EIAARN C[C@H](NC(=O)N1CC2(CCCC2)c2c1cccc2F)c1ccncc1 ZINC000194777460 564026319 /nfs/dbraw/zinc/02/63/19/564026319.db2.gz SDEDGOGGVJBWRN-AWEZNQCLSA-N 0 0 339.414 4.323 50 0 EIAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)c2nc(C3CCCC3)no2)s1 ZINC000107584691 564027018 /nfs/dbraw/zinc/02/70/18/564027018.db2.gz XYRNPNFLVXPCSS-BNOWGMLFSA-N 0 0 345.468 4.078 50 0 EIAARN Cc1ccc(C)c(CS(=O)(=O)Cc2cc(-c3ccccc3)on2)c1 ZINC000044635851 564027078 /nfs/dbraw/zinc/02/70/78/564027078.db2.gz UCWPYZZASCQTOR-UHFFFAOYSA-N 0 0 341.432 4.073 50 0 EIAARN COc1ccc(-n2c(CSc3ncccn3)nc3ccccc32)cc1 ZINC000044656624 564027112 /nfs/dbraw/zinc/02/71/12/564027112.db2.gz SERMVQXRGCQGLJ-UHFFFAOYSA-N 0 0 348.431 4.116 50 0 EIAARN C[C@@H](Nc1ccc2c(c1)OCCCO2)c1nnc(-c2ccccc2)o1 ZINC000044874346 564027274 /nfs/dbraw/zinc/02/72/74/564027274.db2.gz MYLXUTASRANYBG-CYBMUJFWSA-N 0 0 337.379 4.071 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000044845146 564027479 /nfs/dbraw/zinc/02/74/79/564027479.db2.gz WKYDCCNROUAPBP-UHFFFAOYSA-N 0 0 332.787 4.469 50 0 EIAARN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](C)c2ncc(CC)s2)C1 ZINC000108103209 564027739 /nfs/dbraw/zinc/02/77/39/564027739.db2.gz TVHKJWNROUUXJB-MBNYWOFBSA-N 0 0 341.546 4.082 50 0 EIAARN Cc1ccc(-c2csc(SCc3cn4cccnc4n3)n2)cc1 ZINC000044921986 564027765 /nfs/dbraw/zinc/02/77/65/564027765.db2.gz DAIKSUAYDXBYEY-UHFFFAOYSA-N 0 0 338.461 4.454 50 0 EIAARN CCOc1ccccc1CS[C@@H](C)C(=O)Nc1ccccc1OC ZINC000045090251 564028121 /nfs/dbraw/zinc/02/81/21/564028121.db2.gz FINKWLUXJWFDJI-AWEZNQCLSA-N 0 0 345.464 4.354 50 0 EIAARN O=C(Cc1csc(-c2ccco2)n1)NCc1ccc2ccccc2c1 ZINC000045202304 564028244 /nfs/dbraw/zinc/02/82/44/564028244.db2.gz BCUVMCDOAHQSLI-UHFFFAOYSA-N 0 0 348.427 4.415 50 0 EIAARN CC(C)[C@@H](NC(=O)CCC(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000045673252 564028569 /nfs/dbraw/zinc/02/85/69/564028569.db2.gz BZHQSIZTKLVDBV-HXUWFJFHSA-N 0 0 349.434 4.039 50 0 EIAARN O=C(NCc1cc(-c2ccccc2)no1)c1cccc2ccccc21 ZINC000045775636 564028690 /nfs/dbraw/zinc/02/86/90/564028690.db2.gz PEWVCBZUOPLWOX-UHFFFAOYSA-N 0 0 328.371 4.425 50 0 EIAARN CC[C@@H](C)OC(=O)c1nc2ccccc2nc1Nc1ccc(F)cc1 ZINC000045901646 564028855 /nfs/dbraw/zinc/02/88/55/564028855.db2.gz NRFFBACGPRPCHS-GFCCVEGCSA-N 0 0 339.370 4.468 50 0 EIAARN C[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)N(C)C1CCCCC1 ZINC000045927482 564028914 /nfs/dbraw/zinc/02/89/14/564028914.db2.gz GVWVYGUPOQKNMH-AWEZNQCLSA-N 0 0 343.496 4.348 50 0 EIAARN Cc1cccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)c1 ZINC000045949276 564028977 /nfs/dbraw/zinc/02/89/77/564028977.db2.gz QYUIUNSSGYVHQP-UHFFFAOYSA-N 0 0 347.418 4.291 50 0 EIAARN CCn1c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2oc1=O ZINC000046009814 564029102 /nfs/dbraw/zinc/02/91/02/564029102.db2.gz UTLGOYFEAGWMAK-UHFFFAOYSA-N 0 0 338.407 4.164 50 0 EIAARN CCCn1c(=O)oc2cc(NC(=O)Nc3ccccc3Cl)ccc21 ZINC000046010202 564029127 /nfs/dbraw/zinc/02/91/27/564029127.db2.gz GLMRZVBNNXILDX-UHFFFAOYSA-N 0 0 345.786 4.302 50 0 EIAARN COc1ccccc1[C@@H]1C[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000109536966 564029420 /nfs/dbraw/zinc/02/94/20/564029420.db2.gz KLBZFDXRRPJORR-QWHCGFSZSA-N 0 0 328.318 4.295 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc2c(cc1C)OCCCO2 ZINC000046077952 564029467 /nfs/dbraw/zinc/02/94/67/564029467.db2.gz BXGFVLDIFBOURD-UHFFFAOYSA-N 0 0 347.798 4.071 50 0 EIAARN COc1cc2c(cc1C(=O)Nc1ccc(C)c(Cl)c1)OCCCO2 ZINC000046077916 564029486 /nfs/dbraw/zinc/02/94/86/564029486.db2.gz IEFYVXXKGSUYAU-UHFFFAOYSA-N 0 0 347.798 4.071 50 0 EIAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3cc(C)on3)c2c1 ZINC000046086125 564029538 /nfs/dbraw/zinc/02/95/38/564029538.db2.gz DVNMHPMWIZPBOR-UHFFFAOYSA-N 0 0 328.368 4.469 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)NCCSC2CCCC2)cc1C ZINC000047971618 564029865 /nfs/dbraw/zinc/02/98/65/564029865.db2.gz VKZLPUYIRDAHRS-UHFFFAOYSA-N 0 0 349.500 4.141 50 0 EIAARN CCCOc1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1Cl ZINC000048123964 564029983 /nfs/dbraw/zinc/02/99/83/564029983.db2.gz XAKBFJJPELYIHS-UHFFFAOYSA-N 0 0 337.807 4.089 50 0 EIAARN CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 ZINC000048239901 564030160 /nfs/dbraw/zinc/03/01/60/564030160.db2.gz RMDPYNMNZMEWGX-CYBMUJFWSA-N 0 0 329.400 4.111 50 0 EIAARN CCCc1c(C(=O)Nc2ccc3ccccc3n2)[nH]c(C)c1C(C)=O ZINC000048226718 564030260 /nfs/dbraw/zinc/03/02/60/564030260.db2.gz VHNLUSDJXXLZBM-UHFFFAOYSA-N 0 0 335.407 4.279 50 0 EIAARN C[C@H]1CCCC[C@H]1OCCNC(=O)c1occc1-c1ccccc1 ZINC000048265480 564030392 /nfs/dbraw/zinc/03/03/92/564030392.db2.gz SPAUBSLOPUZWQW-MAUKXSAKSA-N 0 0 327.424 4.272 50 0 EIAARN O=C(Nc1cccc(-n2cccn2)c1)N1CCC(c2ccccc2)CC1 ZINC000048277156 564030622 /nfs/dbraw/zinc/03/06/22/564030622.db2.gz CODMXTIITUBHEQ-UHFFFAOYSA-N 0 0 346.434 4.284 50 0 EIAARN O=C(CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000048332852 564031067 /nfs/dbraw/zinc/03/10/67/564031067.db2.gz WZBQICWUMITONN-MRXNPFEDSA-N 0 0 341.282 4.143 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(c3ccc(O)cc3)CC2)C1(C)C ZINC000048355649 564031434 /nfs/dbraw/zinc/03/14/34/564031434.db2.gz AMHTYSMKMZIUOP-RTBURBONSA-N 0 0 327.468 4.337 50 0 EIAARN Cc1nc2nc(SCc3csc(C(C)(C)C)n3)nn2c(C)c1C ZINC000048365339 564031492 /nfs/dbraw/zinc/03/14/92/564031492.db2.gz MMAXZXRKVMFJFH-UHFFFAOYSA-N 0 0 347.513 4.096 50 0 EIAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC(C)C ZINC000048737948 564032141 /nfs/dbraw/zinc/03/21/41/564032141.db2.gz FSHMFSOLXCXKED-UHFFFAOYSA-N 0 0 326.400 4.169 50 0 EIAARN O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)c(F)c1 ZINC000049241198 564032722 /nfs/dbraw/zinc/03/27/22/564032722.db2.gz DGHGRQAJGVXDOI-UHFFFAOYSA-N 0 0 345.761 4.100 50 0 EIAARN O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000114996083 564033029 /nfs/dbraw/zinc/03/30/29/564033029.db2.gz VUKBHHMRKUEMSP-INIZCTEOSA-N 0 0 335.325 4.348 50 0 EIAARN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)n1sc2ccccc2c1=O ZINC000006800086 564033569 /nfs/dbraw/zinc/03/35/69/564033569.db2.gz AJIYXLOCLMFKBP-INIZCTEOSA-N 0 0 340.448 4.270 50 0 EIAARN CCCCOc1ccc(-c2ncc(C(=O)OCC)c(Cl)n2)cc1 ZINC000003179315 564034292 /nfs/dbraw/zinc/03/42/92/564034292.db2.gz WKPQTIUMQULDBY-UHFFFAOYSA-N 0 0 334.803 4.153 50 0 EIAARN COc1ccc(OC)c([C@H]2CCCN2c2ncnc3sccc32)c1 ZINC000007470179 564034363 /nfs/dbraw/zinc/03/43/63/564034363.db2.gz IUSCJWKFNZCTHX-OAHLLOKOSA-N 0 0 341.436 4.050 50 0 EIAARN COc1cccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000007777075 564034508 /nfs/dbraw/zinc/03/45/08/564034508.db2.gz XMCIIXWIFRTITO-UHFFFAOYSA-N 0 0 333.387 4.418 50 0 EIAARN O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000008116273 564034813 /nfs/dbraw/zinc/03/48/13/564034813.db2.gz IPFIJWYWRJCKIB-UHFFFAOYSA-N 0 0 325.795 4.302 50 0 EIAARN C[C@@H](NC(=O)CCC(=O)c1cccs1)c1cc2ccccc2o1 ZINC000008237518 564034911 /nfs/dbraw/zinc/03/49/11/564034911.db2.gz ZYPCDTGZOYVPCP-GFCCVEGCSA-N 0 0 327.405 4.335 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000008241099 564034940 /nfs/dbraw/zinc/03/49/40/564034940.db2.gz SXZDLIFNLLJCLC-UHFFFAOYSA-N 0 0 345.446 4.159 50 0 EIAARN COc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c(OC)c1 ZINC000000818054 564035001 /nfs/dbraw/zinc/03/50/01/564035001.db2.gz NESATCCBXNTDCE-OAQYLSRUSA-N 0 0 349.434 4.465 50 0 EIAARN COc1ccccc1C1(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1 ZINC000390831514 564035050 /nfs/dbraw/zinc/03/50/50/564035050.db2.gz SGWWQLWZUHZVFK-UHFFFAOYSA-N 0 0 347.414 4.303 50 0 EIAARN Cc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3F)s2)o1 ZINC000000818353 564035142 /nfs/dbraw/zinc/03/51/42/564035142.db2.gz QQQSKSJDKQFJQP-UHFFFAOYSA-N 0 0 344.411 4.346 50 0 EIAARN Cc1cc(F)ccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000008305173 564035269 /nfs/dbraw/zinc/03/52/69/564035269.db2.gz IBMWZMMHZJYIHO-GORDUTHDSA-N 0 0 347.773 4.211 50 0 EIAARN Cc1ccc(CNC(=O)CCCC(=O)c2ccccc2)c2cccnc12 ZINC000220280124 564035855 /nfs/dbraw/zinc/03/58/55/564035855.db2.gz FLGSEXMAKRZEJQ-UHFFFAOYSA-N 0 0 346.430 4.213 50 0 EIAARN O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCOC2(CCCC2)C1 ZINC000220650624 564035984 /nfs/dbraw/zinc/03/59/84/564035984.db2.gz WVFAPPWAWSANLJ-UHFFFAOYSA-N 0 0 347.764 4.144 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N(C)Cc1ccccc1 ZINC000032754440 564036147 /nfs/dbraw/zinc/03/61/47/564036147.db2.gz RRKJGJPNSHDIRM-INIZCTEOSA-N 0 0 336.435 4.084 50 0 EIAARN CN(C)[C@H](CNC(=O)c1ccc(Cl)s1)c1ccccc1Cl ZINC000033028468 564036383 /nfs/dbraw/zinc/03/63/83/564036383.db2.gz VOCSSNYFVUIOAV-GFCCVEGCSA-N 0 0 343.279 4.088 50 0 EIAARN CC(C)CNC(=O)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130410 564036502 /nfs/dbraw/zinc/03/65/02/564036502.db2.gz AZKWJZQSCUEZNY-UHFFFAOYSA-N 0 0 347.418 4.322 50 0 EIAARN CC(C)c1cc([C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000033270080 564036576 /nfs/dbraw/zinc/03/65/76/564036576.db2.gz QCYSUZWZORJXFO-MRXNPFEDSA-N 0 0 332.831 4.358 50 0 EIAARN CCCNC(=O)Nc1ccc(-c2noc(-c3ccccc3C)n2)cc1 ZINC000033257141 564036616 /nfs/dbraw/zinc/03/66/16/564036616.db2.gz UUPBTRHIKFRPSF-UHFFFAOYSA-N 0 0 336.395 4.244 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)N[C@H]3CCCc4ccccc43)c2)no1 ZINC000033257600 564036622 /nfs/dbraw/zinc/03/66/22/564036622.db2.gz DJCFOTSITLOAEQ-SFHVURJKSA-N 0 0 348.406 4.244 50 0 EIAARN CCCOC(=O)c1cnc2nc(C)ccc2c1NCc1ccccc1 ZINC000033292658 564036640 /nfs/dbraw/zinc/03/66/40/564036640.db2.gz ZHNAVYJQGNSJNH-UHFFFAOYSA-N 0 0 335.407 4.117 50 0 EIAARN O[C@]12CCCC[C@H]1CN(Cc1csc(Nc3ccccc3)n1)CC2 ZINC000225428718 564046638 /nfs/dbraw/zinc/04/66/38/564046638.db2.gz VVZSLQXGIPZXFA-KXBFYZLASA-N 0 0 343.496 4.014 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000225433754 564046668 /nfs/dbraw/zinc/04/66/68/564046668.db2.gz XSGUNYGKISHMIP-QLFBSQMISA-N 0 0 347.421 4.353 50 0 EIAARN COc1ccc(Br)c(CN2CCC[C@@H]2c2cccn2C)c1 ZINC000225533031 564047582 /nfs/dbraw/zinc/04/75/82/564047582.db2.gz LAQPQZNEERIYLS-QGZVFWFLSA-N 0 0 349.272 4.133 50 0 EIAARN O=C(COc1ccnc(-c2cccc(F)c2)c1)Nc1cccc(F)c1 ZINC000225543360 564047694 /nfs/dbraw/zinc/04/76/94/564047694.db2.gz WVJAXLQRFYJICS-UHFFFAOYSA-N 0 0 340.329 4.044 50 0 EIAARN Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000182103885 564049956 /nfs/dbraw/zinc/04/99/56/564049956.db2.gz SKQYHNMEQHSHIX-MRXNPFEDSA-N 0 0 336.416 4.061 50 0 EIAARN CSc1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000005222386 564051201 /nfs/dbraw/zinc/05/12/01/564051201.db2.gz GIJRMUWLHPDPTM-UHFFFAOYSA-N 0 0 346.477 4.272 50 0 EIAARN CN(C)c1ccc(NC(=O)c2csc(Cl)n2)c(C(F)(F)F)c1 ZINC000240278280 564051723 /nfs/dbraw/zinc/05/17/23/564051723.db2.gz DPZYAZZPECPZEC-UHFFFAOYSA-N 0 0 349.765 4.134 50 0 EIAARN Cc1nc(Cc2ccccc2)sc1C(=O)OCCCCC(C)(C)O ZINC000241231060 564051895 /nfs/dbraw/zinc/05/18/95/564051895.db2.gz KRQUSKFRCFQFTR-UHFFFAOYSA-N 0 0 347.480 4.140 50 0 EIAARN Cc1noc(C)c1C(C)(C)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000241588421 564052049 /nfs/dbraw/zinc/05/20/49/564052049.db2.gz PDBCHDVUZPLZLG-HNNXBMFYSA-N 0 0 332.831 4.026 50 0 EIAARN Cc1nc([C@H](C)Sc2nc3c(n2-c2ccccc2)CCCC3)no1 ZINC000241644749 564052074 /nfs/dbraw/zinc/05/20/74/564052074.db2.gz PTBPVIHBOVAWNT-LBPRGKRZSA-N 0 0 340.452 4.296 50 0 EIAARN COCCN(Cc1cncn1C1CCCCC1)Cc1ccccc1C ZINC000244795125 564052253 /nfs/dbraw/zinc/05/22/53/564052253.db2.gz QZYBJDXAUISOHL-UHFFFAOYSA-N 0 0 341.499 4.345 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@H]2O ZINC000252441329 564053359 /nfs/dbraw/zinc/05/33/59/564053359.db2.gz QIOYEDVDPAWRGZ-MUJBESKKSA-N 0 0 332.484 4.053 50 0 EIAARN c1ccc(NN=c2[nH]nc(Cc3ccncc3)c3ccccc32)cc1 ZINC000000985400 564053867 /nfs/dbraw/zinc/05/38/67/564053867.db2.gz MXMROTQIPRGRIX-UHFFFAOYSA-N 0 0 327.391 4.055 50 0 EIAARN CCn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1 ZINC000000999958 564053939 /nfs/dbraw/zinc/05/39/39/564053939.db2.gz HZIQWUMIUQXOAG-UHFFFAOYSA-N 0 0 335.407 4.043 50 0 EIAARN C[C@]12CCC[C@@H]1[C@@H]1C(=O)C[C@H]3CC4(CC[C@@]3(C)[C@H]1CC2)OCCO4 ZINC000257345868 564055847 /nfs/dbraw/zinc/05/58/47/564055847.db2.gz LXOGEYSXRYPSCR-LWFMFQAFSA-N 0 0 332.484 4.341 50 0 EIAARN C[C@]12CCC[C@@H]1[C@@H]1CC(=O)[C@H]3CC4(CC[C@]3(C)[C@H]1CC2)OCCO4 ZINC000257345862 564055867 /nfs/dbraw/zinc/05/58/67/564055867.db2.gz LJKNOBNXTYYVSU-STBDEUKGSA-N 0 0 332.484 4.341 50 0 EIAARN CC(C)N(Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccccn1 ZINC000063518192 564057732 /nfs/dbraw/zinc/05/77/32/564057732.db2.gz LQGRLELBDWBYPL-UHFFFAOYSA-N 0 0 346.478 4.167 50 0 EIAARN CC1CCN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC1 ZINC000002752539 564057938 /nfs/dbraw/zinc/05/79/38/564057938.db2.gz HROOUULWXOGBLV-UHFFFAOYSA-N 0 0 333.815 4.384 50 0 EIAARN C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1nccs1 ZINC000086509023 564058278 /nfs/dbraw/zinc/05/82/78/564058278.db2.gz KFZGNWRZNDFOBI-QWRGUYRKSA-N 0 0 325.275 4.187 50 0 EIAARN O=C(NCCC1=CCCCC1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000012533486 564058337 /nfs/dbraw/zinc/05/83/37/564058337.db2.gz XAAOXAAJWNJMSC-UHFFFAOYSA-N 0 0 345.443 4.294 50 0 EIAARN CC[C@H](C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000003216384 564058497 /nfs/dbraw/zinc/05/84/97/564058497.db2.gz LYOPYBSYPVCZBI-INIZCTEOSA-N 0 0 345.826 4.324 50 0 EIAARN CC(=O)Nc1ccc(NCc2ccccc2F)c(C(F)(F)F)c1 ZINC000012540066 564058525 /nfs/dbraw/zinc/05/85/25/564058525.db2.gz XQFAZIHJTZMBCE-UHFFFAOYSA-N 0 0 326.293 4.415 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000003242223 564058595 /nfs/dbraw/zinc/05/85/95/564058595.db2.gz YTKJJQRCRSOQIW-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN CC(=O)NCc1ccc(-c2csc(Nc3cccc(C)c3)n2)o1 ZINC000012543956 564058800 /nfs/dbraw/zinc/05/88/00/564058800.db2.gz UOCXATWKCAHOQU-UHFFFAOYSA-N 0 0 327.409 4.091 50 0 EIAARN C[C@@H](NC(=S)Nc1ccc(SC(F)F)cc1)c1ccncc1 ZINC000012550749 564059144 /nfs/dbraw/zinc/05/91/44/564059144.db2.gz PJGIVMKIIUCEAJ-SNVBAGLBSA-N 0 0 339.436 4.444 50 0 EIAARN Cc1nc(CSc2ccc(C(=O)Nc3ccncc3)cc2)cs1 ZINC000012550813 564059148 /nfs/dbraw/zinc/05/91/48/564059148.db2.gz YVLXLZDXKLLXEL-UHFFFAOYSA-N 0 0 341.461 4.391 50 0 EIAARN CN(C)c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012555172 564059286 /nfs/dbraw/zinc/05/92/86/564059286.db2.gz DUHHXRCRBLMMDV-SFHVURJKSA-N 0 0 328.843 4.287 50 0 EIAARN CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000044085304 564059482 /nfs/dbraw/zinc/05/94/82/564059482.db2.gz RIFGZFKKKSHXLG-UHFFFAOYSA-N 0 0 338.432 4.195 50 0 EIAARN O=C(CNc1cccc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000012606093 564060513 /nfs/dbraw/zinc/06/05/13/564060513.db2.gz ZGLRKLZDQPLJMJ-UHFFFAOYSA-N 0 0 348.402 4.052 50 0 EIAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1nccn1C(F)F ZINC000121031300 564060986 /nfs/dbraw/zinc/06/09/86/564060986.db2.gz FZYYKIMXFQDBLA-LLVKDONJSA-N 0 0 328.432 4.360 50 0 EIAARN C=C1C[C@H]2[C@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000004025775 564061116 /nfs/dbraw/zinc/06/11/16/564061116.db2.gz JKPFAFOFFYRBDB-AASJXKLDSA-N 0 0 342.479 4.005 50 0 biogenic EIAARN O=C(NC[C@@H](c1ccccc1)C1CCCC1)N1CC(c2ccncc2)C1 ZINC000534637352 564061361 /nfs/dbraw/zinc/06/13/61/564061361.db2.gz BKQNSRJHGDIQQK-NRFANRHFSA-N 0 0 349.478 4.164 50 0 EIAARN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCc1ccco1 ZINC000534653829 564061452 /nfs/dbraw/zinc/06/14/52/564061452.db2.gz WUSHQPVGEYUONM-UHFFFAOYSA-N 0 0 340.345 4.073 50 0 EIAARN CCC[C@@H]1C=CCN1C(=O)c1ccc(-c2cc(C)c(C)[nH]c2=O)cc1 ZINC000534671686 564061582 /nfs/dbraw/zinc/06/15/82/564061582.db2.gz XWXCNDYBOIPPIL-GOSISDBHSA-N 0 0 336.435 4.252 50 0 EIAARN COC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004037911 564061652 /nfs/dbraw/zinc/06/16/52/564061652.db2.gz CEZKLEHYJURHTB-PPUWAGDWSA-N 0 0 349.515 4.115 50 0 biogenic EIAARN COc1ccccc1NC(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000012642868 564062012 /nfs/dbraw/zinc/06/20/12/564062012.db2.gz SDLYNOVISZCIMP-UHFFFAOYSA-N 0 0 325.412 4.248 50 0 EIAARN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCC1=O ZINC000005440012 564062446 /nfs/dbraw/zinc/06/24/46/564062446.db2.gz SCKGADIYMIFTEG-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc(Cl)c1 ZINC000005441647 564062448 /nfs/dbraw/zinc/06/24/48/564062448.db2.gz XZBCYQAQMOWTRO-UHFFFAOYSA-N 0 0 328.799 4.109 50 0 EIAARN CCC(CC)c1nnc(NC(=O)c2ccc(Br)o2)s1 ZINC000001284962 564062931 /nfs/dbraw/zinc/06/29/31/564062931.db2.gz XFYHTLDRCMOIEA-UHFFFAOYSA-N 0 0 344.234 4.050 50 0 EIAARN CN(Cc1ccccn1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000083865618 564064037 /nfs/dbraw/zinc/06/40/37/564064037.db2.gz NSTLOPIYTPXCMZ-UHFFFAOYSA-N 0 0 334.803 4.361 50 0 EIAARN COc1cc2cc(Br)cc(Br)c2nc1C ZINC000001384474 564064159 /nfs/dbraw/zinc/06/41/59/564064159.db2.gz FCFSZNPPKZCVRS-UHFFFAOYSA-N 0 0 331.007 4.077 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(Cl)n1 ZINC000001388775 564064331 /nfs/dbraw/zinc/06/43/31/564064331.db2.gz UZLYSOPICTVJKW-UHFFFAOYSA-N 0 0 349.761 4.203 50 0 EIAARN CCOC(=O)c1cc2c(CSc3ccccc3)nn(C)c2s1 ZINC000001398172 564064806 /nfs/dbraw/zinc/06/48/06/564064806.db2.gz KCRGAMRWKYOIJU-UHFFFAOYSA-N 0 0 332.450 4.104 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)c2cccc(C)c2C)c(OCC(C)C)n1 ZINC000001403197 564065105 /nfs/dbraw/zinc/06/51/05/564065105.db2.gz ITRXIGPWHINCMS-UHFFFAOYSA-N 0 0 347.480 4.183 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(OCC(C)C)n1 ZINC000001403198 564065111 /nfs/dbraw/zinc/06/51/11/564065111.db2.gz NJDMXAVKFDXKSS-UHFFFAOYSA-N 0 0 347.480 4.183 50 0 EIAARN COc1ccccc1-c1noc(Cn2c3ccccc3nc2C2CC2)n1 ZINC000083982742 564065539 /nfs/dbraw/zinc/06/55/39/564065539.db2.gz MFXZAFKALDAFHI-UHFFFAOYSA-N 0 0 346.390 4.021 50 0 EIAARN Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccnc2ccccc12 ZINC000084028603 564065829 /nfs/dbraw/zinc/06/58/29/564065829.db2.gz MNZHKGPSXMWGHE-UHFFFAOYSA-N 0 0 345.377 4.161 50 0 EIAARN CCOc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000001421314 564066655 /nfs/dbraw/zinc/06/66/55/564066655.db2.gz UVGFPVDJCRFIPE-IIDMSEBBSA-N 0 0 347.455 4.172 50 0 EIAARN CCOc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000001425209 564066750 /nfs/dbraw/zinc/06/67/50/564066750.db2.gz DCOCFUXXJRWNIA-UHFFFAOYSA-N 0 0 326.787 4.394 50 0 EIAARN CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2o1 ZINC000012757027 564067349 /nfs/dbraw/zinc/06/73/49/564067349.db2.gz YMGVHYAOKJWWPJ-UHFFFAOYSA-N 0 0 334.297 4.052 50 0 EIAARN CC(C)COc1ccc(C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000012768260 564068349 /nfs/dbraw/zinc/06/83/49/564068349.db2.gz NMLCZZNFEWMGFO-ZDUSSCGKSA-N 0 0 346.427 4.320 50 0 EIAARN CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000084544366 564068656 /nfs/dbraw/zinc/06/86/56/564068656.db2.gz KZKZRVLFOMHLOG-SJORKVTESA-N 0 0 335.875 4.107 50 0 EIAARN OC[C@@H]1CCCCC[C@@H]1Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000084593300 564068880 /nfs/dbraw/zinc/06/88/80/564068880.db2.gz KUURZSQKMAORKH-WMZOPIPTSA-N 0 0 348.450 4.045 50 0 EIAARN OC[C@H]1CCCCC[C@@H]1Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000084593296 564068914 /nfs/dbraw/zinc/06/89/14/564068914.db2.gz KUURZSQKMAORKH-AEFFLSMTSA-N 0 0 348.450 4.045 50 0 EIAARN O=C(Nc1ccc(C(=O)OC2CCCCCC2)cc1)c1ccccn1 ZINC000084609838 564069055 /nfs/dbraw/zinc/06/90/55/564069055.db2.gz RRDFVFGLGDVODM-UHFFFAOYSA-N 0 0 338.407 4.214 50 0 EIAARN Cc1nc(CSc2ccc(C(=O)NCc3ccco3)cc2)cs1 ZINC000012774871 564069214 /nfs/dbraw/zinc/06/92/14/564069214.db2.gz IBHIKGZZIRKUFQ-UHFFFAOYSA-N 0 0 344.461 4.267 50 0 EIAARN CC(=O)c1ccc(F)cc1NC(=O)c1sccc1Br ZINC000184864999 564069299 /nfs/dbraw/zinc/06/92/99/564069299.db2.gz SHSQGLBPRHRABA-UHFFFAOYSA-N 0 0 342.189 4.105 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C1(C)C ZINC000084671161 564069568 /nfs/dbraw/zinc/06/95/68/564069568.db2.gz IAHRTAWQLDSBGB-RISCZKNCSA-N 0 0 346.496 4.475 50 0 EIAARN C[C@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)[C@@H](C)CO1 ZINC000084705532 564069725 /nfs/dbraw/zinc/06/97/25/564069725.db2.gz GCJMTZUUGJVYCA-QWRGUYRKSA-N 0 0 331.462 4.365 50 0 EIAARN CC[C@](C)(NCc1nnc(-c2ccc(F)cc2)o1)c1nc(C)cs1 ZINC000084721224 564069806 /nfs/dbraw/zinc/06/98/06/564069806.db2.gz JEVRHLSIHZWEKA-KRWDZBQOSA-N 0 0 346.431 4.056 50 0 EIAARN C[C@H](NC(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000012784952 564070225 /nfs/dbraw/zinc/07/02/25/564070225.db2.gz YLMKJKRDXUETRG-ZDUSSCGKSA-N 0 0 325.799 4.017 50 0 EIAARN CCOC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000084801079 564070304 /nfs/dbraw/zinc/07/03/04/564070304.db2.gz YSQQKJNSSLFBLW-LSDHHAIUSA-N 0 0 342.266 4.124 50 0 EIAARN Cc1ccccc1NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000015669573 564070414 /nfs/dbraw/zinc/07/04/14/564070414.db2.gz VFVXPDCROCSVCQ-UHFFFAOYSA-N 0 0 327.409 4.068 50 0 EIAARN CN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)C1CCCCC1 ZINC000015674427 564070497 /nfs/dbraw/zinc/07/04/97/564070497.db2.gz VBUIGFCKPTVQJL-UHFFFAOYSA-N 0 0 341.480 4.098 50 0 EIAARN CSc1cccc(C)c1NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000184956918 564070835 /nfs/dbraw/zinc/07/08/35/564070835.db2.gz SWTUWFYFINUATO-CQSZACIVSA-N 0 0 348.493 4.384 50 0 EIAARN CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)C2(CCC(C)CC2)OC1=O ZINC000005058739 564071426 /nfs/dbraw/zinc/07/14/26/564071426.db2.gz ADAWXIMSNUUQIC-UHFFFAOYSA-N 0 0 347.842 4.409 50 0 EIAARN Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000074222365 564071988 /nfs/dbraw/zinc/07/19/88/564071988.db2.gz GLTDXIAUFISOFF-CYBMUJFWSA-N 0 0 345.443 4.490 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000012797892 564072295 /nfs/dbraw/zinc/07/22/95/564072295.db2.gz ACWQTAFMWSRZQS-UHFFFAOYSA-N 0 0 331.799 4.234 50 0 EIAARN Cc1ccc(N2C(=O)/C(=C\c3cccs3)N(C)C2=S)cc1Cl ZINC000005843704 564072410 /nfs/dbraw/zinc/07/24/10/564072410.db2.gz CWKPQXFPNLQYJL-NTEUORMPSA-N 0 0 348.880 4.314 50 0 EIAARN CCc1ccc(Nc2c(=O)c(=O)c2-c2ccc3c(c2)CCCC3)cc1 ZINC000015728220 564072485 /nfs/dbraw/zinc/07/24/85/564072485.db2.gz MKLMFPIGUGRWIV-UHFFFAOYSA-N 0 0 331.415 4.134 50 0 EIAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCC(C)CC3)c2c1 ZINC000001460395 564073105 /nfs/dbraw/zinc/07/31/05/564073105.db2.gz UTVPJEIQMWGGIO-UHFFFAOYSA-N 0 0 345.446 4.477 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(F)ccc3C)c12 ZINC000012817510 564073170 /nfs/dbraw/zinc/07/31/70/564073170.db2.gz UBOMTDYCMHTQDK-UHFFFAOYSA-N 0 0 325.343 4.108 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccccc1C ZINC000012816756 564073209 /nfs/dbraw/zinc/07/32/09/564073209.db2.gz BVIZMUVDWGNBAK-HNNXBMFYSA-N 0 0 333.435 4.289 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCCCC2 ZINC000001465649 564073244 /nfs/dbraw/zinc/07/32/44/564073244.db2.gz ZPLUGRQKLIUYDH-UHFFFAOYSA-N 0 0 347.436 4.347 50 0 EIAARN O=C(CCc1ccccc1)N1CCC(CSCc2ccco2)CC1 ZINC000085472441 564073418 /nfs/dbraw/zinc/07/34/18/564073418.db2.gz KORWPWUABKFKLN-UHFFFAOYSA-N 0 0 343.492 4.384 50 0 EIAARN Cc1ccc(C(=O)[C@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006085422 564073705 /nfs/dbraw/zinc/07/37/05/564073705.db2.gz FYOPHFMPNXOULU-HILYYZTDSA-N 0 0 326.436 4.326 50 0 EIAARN Cc1oc(-c2ccc(C)cc2)nc1CNC(=O)NCCc1ccccc1 ZINC000015774602 564073830 /nfs/dbraw/zinc/07/38/30/564073830.db2.gz KNRMOGNFVZWWID-UHFFFAOYSA-N 0 0 349.434 4.000 50 0 EIAARN CC[C@H](C(=O)NCCCn1ccnc1-c1ccccc1)c1ccccc1 ZINC000085555055 564073913 /nfs/dbraw/zinc/07/39/13/564073913.db2.gz AUDLLYJYSFJEIZ-FQEVSTJZSA-N 0 0 347.462 4.250 50 0 EIAARN CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccs1 ZINC000001480420 564074021 /nfs/dbraw/zinc/07/40/21/564074021.db2.gz ZOBBMQKRGRNZHR-UHFFFAOYSA-N 0 0 347.440 4.141 50 0 EIAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nncc3ccccc32)c1 ZINC000012822952 564074691 /nfs/dbraw/zinc/07/46/91/564074691.db2.gz PJSVXLSVPXINHH-CQSZACIVSA-N 0 0 337.448 4.366 50 0 EIAARN Cc1cc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nc(C2CC2)n1 ZINC000185848979 564074874 /nfs/dbraw/zinc/07/48/74/564074874.db2.gz RBXGUFVSJVCUDL-INIZCTEOSA-N 0 0 347.821 4.033 50 0 EIAARN COc1ccc(NC(C)=O)c(NCc2csc(C3CCCC3)n2)c1 ZINC000086203088 564075306 /nfs/dbraw/zinc/07/53/06/564075306.db2.gz XWNNKICCUAOKFR-UHFFFAOYSA-N 0 0 345.468 4.380 50 0 EIAARN COc1ccc(Cl)cc1C(=O)N1CCCSc2ccccc21 ZINC000012855886 564075501 /nfs/dbraw/zinc/07/55/01/564075501.db2.gz NJVHFDHDTSYYOP-UHFFFAOYSA-N 0 0 333.840 4.491 50 0 EIAARN Fc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(F)ccc2O3)c1 ZINC000015829534 564075803 /nfs/dbraw/zinc/07/58/03/564075803.db2.gz UGSSPIGAWBGPQN-UHFFFAOYSA-N 0 0 328.343 4.407 50 0 EIAARN CN(C(=O)COc1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 ZINC000012865958 564075822 /nfs/dbraw/zinc/07/58/22/564075822.db2.gz FUZVQTUWZCXREW-INIZCTEOSA-N 0 0 333.790 4.004 50 0 EIAARN Cc1c(C(=O)N[C@H](C)C2CC2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012865313 564075839 /nfs/dbraw/zinc/07/58/39/564075839.db2.gz NIUHNMOVKXFKQC-SNVBAGLBSA-N 0 0 331.485 4.134 50 0 EIAARN CCOC(=O)c1ccc(OC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000400342 564075951 /nfs/dbraw/zinc/07/59/51/564075951.db2.gz DFAAEWSBUZJKDF-UHFFFAOYSA-N 0 0 337.734 4.267 50 0 EIAARN CC(=O)Nc1cccc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)c1 ZINC000015859132 564076817 /nfs/dbraw/zinc/07/68/17/564076817.db2.gz WDGTUNGXDJXEOP-UHFFFAOYSA-N 0 0 332.407 4.462 50 0 EIAARN Cc1ccccc1CNC(=O)CCCN1CCSc2ccccc21 ZINC000015864660 564077184 /nfs/dbraw/zinc/07/71/84/564077184.db2.gz BNGMWNFTIGMYIJ-UHFFFAOYSA-N 0 0 340.492 4.004 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1Cl ZINC000015881080 564077391 /nfs/dbraw/zinc/07/73/91/564077391.db2.gz JPDIQEOCFZFEFB-UHFFFAOYSA-N 0 0 345.826 4.379 50 0 EIAARN COc1ccsc1C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000151822087 564077566 /nfs/dbraw/zinc/07/75/66/564077566.db2.gz QWBXUFFSWRSCBS-UHFFFAOYSA-N 0 0 341.436 4.120 50 0 EIAARN CC(=O)c1csc(NC(=O)c2csc(-c3ccc(C)cc3)n2)n1 ZINC000012894273 564077603 /nfs/dbraw/zinc/07/76/03/564077603.db2.gz XSONQOUNQORVLI-UHFFFAOYSA-N 0 0 343.433 4.030 50 0 EIAARN C[C@H](OCCCNC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000012896059 564077636 /nfs/dbraw/zinc/07/76/36/564077636.db2.gz HNSQSQQUDCDQRX-ZDUSSCGKSA-N 0 0 335.806 4.377 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1)c1occc1COc1ccccc1 ZINC000012906042 564077818 /nfs/dbraw/zinc/07/78/18/564077818.db2.gz LCTNFFATMDGXQE-UHFFFAOYSA-N 0 0 329.302 4.389 50 0 EIAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1COc2ccccc2C1 ZINC000012914857 564078021 /nfs/dbraw/zinc/07/80/21/564078021.db2.gz QANUZEMOTZVIFQ-LLVKDONJSA-N 0 0 344.823 4.140 50 0 EIAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C1CCCC1 ZINC000012917061 564078063 /nfs/dbraw/zinc/07/80/63/564078063.db2.gz WREHBJZXPFGCOY-UHFFFAOYSA-N 0 0 331.485 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C[C@H](NC(=O)N1c2ccc(F)cc2C(=O)C[C@H]1C)c1ccccc1 ZINC000075273221 564081380 /nfs/dbraw/zinc/08/13/80/564081380.db2.gz BOQINRZPWSWRQM-OLZOCXBDSA-N 0 0 326.371 4.078 50 0 EIAARN O=C1/C(=C\c2ccco2)N=C(Oc2ccccc2)N1c1ccccc1 ZINC000006194203 564081824 /nfs/dbraw/zinc/08/18/24/564081824.db2.gz PBJVIXZEHLNUIK-NBVRZTHBSA-N 0 0 330.343 4.102 50 0 EIAARN Cc1ccc2ccc3cc(C(=O)NCc4ccc(F)cc4)[nH]c3c2n1 ZINC000075343476 564081935 /nfs/dbraw/zinc/08/19/35/564081935.db2.gz SUZIRTROQCYVMJ-UHFFFAOYSA-N 0 0 333.366 4.094 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1)c1cc2ccc3cccnc3c2[nH]1 ZINC000075346791 564081938 /nfs/dbraw/zinc/08/19/38/564081938.db2.gz AYLSGXQRIIOMPX-UHFFFAOYSA-N 0 0 349.821 4.342 50 0 EIAARN CC(C)N1C(=O)/C(=C\c2ccccc2O)SC1=Nc1ccccc1 ZINC000004470830 564082112 /nfs/dbraw/zinc/08/21/12/564082112.db2.gz YFSSEVSZKLKLQY-NETLLJLASA-N 0 0 338.432 4.405 50 0 EIAARN O=C(NCc1ccc(-c2ccco2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000575609505 564082486 /nfs/dbraw/zinc/08/24/86/564082486.db2.gz WWASVGFWURFUSD-UHFFFAOYSA-N 0 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564086388 /nfs/dbraw/zinc/08/63/88/564086388.db2.gz USFYBAUOCPXMLT-FQEVSTJZSA-N 0 0 333.435 4.072 50 0 EIAARN Cc1ccccc1CNC(=O)CCc1ccc2[nH]c(C(C)C)nc2c1 ZINC000075478784 564086682 /nfs/dbraw/zinc/08/66/82/564086682.db2.gz ZOHYWVJZKJATQV-UHFFFAOYSA-N 0 0 335.451 4.244 50 0 EIAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCc2sccc2C1 ZINC000013013020 564086777 /nfs/dbraw/zinc/08/67/77/564086777.db2.gz MZZZEIKXMXDGFX-UHFFFAOYSA-N 0 0 346.502 4.061 50 0 EIAARN CC(C)c1ccccc1OCC(=O)NCCc1ccc(Cl)cc1 ZINC000013023163 564086890 /nfs/dbraw/zinc/08/68/90/564086890.db2.gz UJDPHPGPMWGVAJ-UHFFFAOYSA-N 0 0 331.843 4.201 50 0 EIAARN COc1ccc(C(=O)N(Cc2cccs2)c2ccc(O)cc2)cc1 ZINC000006457616 564087862 /nfs/dbraw/zinc/08/78/62/564087862.db2.gz YRYJRVIKYMPMHC-UHFFFAOYSA-N 0 0 339.416 4.309 50 0 EIAARN COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2Cl)cc1 ZINC000239475410 564088165 /nfs/dbraw/zinc/08/81/65/564088165.db2.gz AOBGNMLTZIDGHZ-ZMMAXQRCSA-N 0 0 341.838 4.124 50 0 EIAARN O=c1[nH]c(CN2CC[C@H]3CCCC[C@H]3C2)nc2cc(Cl)ccc21 ZINC000242302061 564088487 /nfs/dbraw/zinc/08/84/87/564088487.db2.gz YPFWVAOXGRJEHB-OLZOCXBDSA-N 0 0 331.847 4.001 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1 ZINC000242302143 564088511 /nfs/dbraw/zinc/08/85/11/564088511.db2.gz YPWKBTDVBFAZMU-JLSDUUJJSA-N 0 0 346.471 4.129 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(C(F)(F)F)c2)c1C ZINC000002642382 564088948 /nfs/dbraw/zinc/08/89/48/564088948.db2.gz UGIPOFFZQGFYJH-UHFFFAOYSA-N 0 0 339.313 4.210 50 0 EIAARN COc1ccccc1OCCCC(=O)Nc1nc2ccccc2s1 ZINC000001893033 564089131 /nfs/dbraw/zinc/08/91/31/564089131.db2.gz HRRYDVDYICCDMG-UHFFFAOYSA-N 0 0 342.420 4.103 50 0 EIAARN Cc1cccc(/C=C2\NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1 ZINC000105556899 564089167 /nfs/dbraw/zinc/08/91/67/564089167.db2.gz ZFXOAXDDTZBOAM-PDGQHHTCSA-N 0 0 336.460 4.381 50 0 EIAARN CO[C@H]1CC[C@H](NC(=O)c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000247844317 564089252 /nfs/dbraw/zinc/08/92/52/564089252.db2.gz PDJSGDWHYIFFFM-WGSAOQKQSA-N 0 0 327.399 4.180 50 0 EIAARN CCN1C(=O)CCc2cc(NC(=O)c3cc(F)ccc3Cl)ccc21 ZINC000075549993 564089312 /nfs/dbraw/zinc/08/93/12/564089312.db2.gz QWEIKLKSDFUMRH-UHFFFAOYSA-N 0 0 346.789 4.031 50 0 EIAARN Cc1[nH]nc(NC(=O)c2ccccc2F)c1-c1cccc(Cl)c1 ZINC000075559030 564089527 /nfs/dbraw/zinc/08/95/27/564089527.db2.gz CBFBUOWCCFFCDO-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CCn1c(-c2cc(NC(=O)c3cccc(F)c3)n[nH]2)cc2ccccc21 ZINC000075558676 564089529 /nfs/dbraw/zinc/08/95/29/564089529.db2.gz ZFODGODNBNNHGR-UHFFFAOYSA-N 0 0 348.381 4.443 50 0 EIAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)Cc2ccsc2)s1 ZINC000075606877 564089803 /nfs/dbraw/zinc/08/98/03/564089803.db2.gz HVGCUVBPTOWEDC-ZYHUDNBSSA-N 0 0 337.514 4.155 50 0 EIAARN COc1cc(F)c([C@@H](C)NC(=O)Nc2c(C)cccc2C)cc1OC ZINC000075612608 564089858 /nfs/dbraw/zinc/08/98/58/564089858.db2.gz HFCJSGBGLCVPBV-CYBMUJFWSA-N 0 0 346.402 4.342 50 0 EIAARN CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1cccc(O)c1 ZINC000001916080 564089995 /nfs/dbraw/zinc/08/99/95/564089995.db2.gz XGMHKJADIFKBOL-UHFFFAOYSA-N 0 0 336.391 4.478 50 0 EIAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc2ccccc21 ZINC000001922909 564090269 /nfs/dbraw/zinc/09/02/69/564090269.db2.gz AFEJTLFLBHVFBH-AWEZNQCLSA-N 0 0 349.386 4.032 50 0 EIAARN COc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 ZINC000016598118 564090607 /nfs/dbraw/zinc/09/06/07/564090607.db2.gz PPPNDYWEFGKZLF-UHFFFAOYSA-N 0 0 341.338 4.259 50 0 EIAARN C[S@](=O)Cc1cccc(NCc2csc(-c3ccsc3)n2)c1 ZINC000089493167 564090797 /nfs/dbraw/zinc/09/07/97/564090797.db2.gz CEGVXLMBNYOSHG-JOCHJYFZSA-N 0 0 348.518 4.362 50 0 EIAARN COc1cc(-c2nnc([C@@H]3CCCOC3)o2)ccc1OCCC(C)C ZINC000521393722 564090851 /nfs/dbraw/zinc/09/08/51/564090851.db2.gz BABVUTHJOHEIGY-OAHLLOKOSA-N 0 0 346.427 4.064 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1 ZINC000006510084 564091241 /nfs/dbraw/zinc/09/12/41/564091241.db2.gz XXNIFTAJLOSEIU-UHFFFAOYSA-N 0 0 327.428 4.428 50 0 EIAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(F)cc1Cl ZINC000064472122 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Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)c(C)n1-c1cccnc1 ZINC000089580087 564092996 /nfs/dbraw/zinc/09/29/96/564092996.db2.gz YNTOZLWICJMPAI-LJQANCHMSA-N 0 0 345.446 4.119 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3ccoc3)cc12 ZINC000064607003 564093112 /nfs/dbraw/zinc/09/31/12/564093112.db2.gz XHCCUVKQRPWTMF-UHFFFAOYSA-N 0 0 338.388 4.345 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc2)nn1 ZINC000426360184 564093472 /nfs/dbraw/zinc/09/34/72/564093472.db2.gz NSFUPXMNRRDBMI-LPHOPBHVSA-N 0 0 335.451 4.104 50 0 EIAARN CO[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3SC)cc2)C1 ZINC000426479726 564093830 /nfs/dbraw/zinc/09/38/30/564093830.db2.gz KHNRVNBAANSUDO-KRWDZBQOSA-N 0 0 341.476 4.327 50 0 EIAARN CN(C(=O)c1ccc(-c2nccn2C)cc1)[C@@H]1CCCc2ccccc21 ZINC000426471350 564093833 /nfs/dbraw/zinc/09/38/33/564093833.db2.gz KZOUKVQMLGNPFP-HXUWFJFHSA-N 0 0 345.446 4.237 50 0 EIAARN CC(C)n1cc(NC(=O)N(Cc2ccccn2)C2CCCCC2)cn1 ZINC000426549097 564094096 /nfs/dbraw/zinc/09/40/96/564094096.db2.gz 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ZINC000064791002 564096251 /nfs/dbraw/zinc/09/62/51/564096251.db2.gz SWWFVRZWODTFQK-UHFFFAOYSA-N 0 0 344.422 4.362 50 0 EIAARN Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4cccs4)nc3c12 ZINC000006719733 564096340 /nfs/dbraw/zinc/09/63/40/564096340.db2.gz VWJBZWYOZGDGLX-UHFFFAOYSA-N 0 0 349.419 4.066 50 0 EIAARN COc1cc(C(=O)OCc2cccc(Cl)c2)ccc1OC(F)F ZINC000007973319 564096459 /nfs/dbraw/zinc/09/64/59/564096459.db2.gz ARDCGXNGYASMEP-UHFFFAOYSA-N 0 0 342.725 4.307 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c1 ZINC000064818533 564096544 /nfs/dbraw/zinc/09/65/44/564096544.db2.gz DUMNTUUVFYHQGI-UHFFFAOYSA-N 0 0 348.406 4.001 50 0 EIAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)CCCN2C ZINC000064844956 564096853 /nfs/dbraw/zinc/09/68/53/564096853.db2.gz JKLGBXTWDZXZJG-UHFFFAOYSA-N 0 0 349.356 4.044 50 0 EIAARN CC(C)Cc1nn2cc(-c3ccc(Br)cc3)nc2s1 ZINC000006748245 564096975 /nfs/dbraw/zinc/09/69/75/564096975.db2.gz RDSZYAXQUGZSJV-UHFFFAOYSA-N 0 0 336.258 4.419 50 0 EIAARN CCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cc(F)ccc1O2 ZINC000006748547 564097039 /nfs/dbraw/zinc/09/70/39/564097039.db2.gz BIQUJKHFMJBHAD-UHFFFAOYSA-N 0 0 338.338 4.084 50 0 EIAARN CC(C)c1ccc(NC(=O)c2n[nH]nc2Nc2cccc(F)c2)cc1 ZINC000064871349 564097240 /nfs/dbraw/zinc/09/72/40/564097240.db2.gz HHWYHGQXSMPINZ-UHFFFAOYSA-N 0 0 339.374 4.063 50 0 EIAARN Cc1cc(C)c2c(n1)sc(C(=O)NC1CCCC1)c2-n1cccc1 ZINC000006780455 564097589 /nfs/dbraw/zinc/09/75/89/564097589.db2.gz VYSUJCQCMIDZFM-UHFFFAOYSA-N 0 0 339.464 4.376 50 0 EIAARN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 ZINC000006787042 564097773 /nfs/dbraw/zinc/09/77/73/564097773.db2.gz LZNODVUQZKWKMU-UHFFFAOYSA-N 0 0 349.173 4.400 50 0 EIAARN Cc1ccc(NC(=O)COCc2nc3ccccc3s2)c(C)c1 ZINC000006788951 564097821 /nfs/dbraw/zinc/09/78/21/564097821.db2.gz KXBVIXXEIYVKPE-UHFFFAOYSA-N 0 0 326.421 4.068 50 0 EIAARN COCc1c(C(=O)NCc2ccc(C)cc2)sc2cccc(F)c21 ZINC000006789413 564097875 /nfs/dbraw/zinc/09/78/75/564097875.db2.gz BAFIQZGUBSJGGV-UHFFFAOYSA-N 0 0 343.423 4.425 50 0 EIAARN CCC(CC)C(=O)N1CCN(Cc2ccc(C)cc2)c2ncccc21 ZINC000064929708 564097880 /nfs/dbraw/zinc/09/78/80/564097880.db2.gz JFHGHSKKLBPTRM-UHFFFAOYSA-N 0 0 337.467 4.179 50 0 EIAARN Cc1cccc2c(C(=O)NCc3ccco3)cc(-c3cccnc3)nc12 ZINC000006789516 564097891 /nfs/dbraw/zinc/09/78/91/564097891.db2.gz MTHQKHLZSNVCNU-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN COCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(C)cc1 ZINC000006798759 564098086 /nfs/dbraw/zinc/09/80/86/564098086.db2.gz MFGFYKOKLHZSDT-UHFFFAOYSA-N 0 0 340.448 4.004 50 0 EIAARN CCn1c2cc(C)ccc2c(C[NH2+]Cc2cccs2)c1C(=O)[O-] ZINC000006795342 564098087 /nfs/dbraw/zinc/09/80/87/564098087.db2.gz YIGZWWGATGFNSY-UHFFFAOYSA-N 0 0 328.437 4.019 50 0 EIAARN COc1ccc(Nc2cc(Sc3ccc(OC)cc3)ncn2)cc1 ZINC000006794093 564098122 /nfs/dbraw/zinc/09/81/22/564098122.db2.gz NCUNMODUTMUUSV-UHFFFAOYSA-N 0 0 339.420 4.389 50 0 EIAARN CCCc1nnc(NC(=O)Cc2coc3cc(C)cc(C)c23)s1 ZINC000006809842 564098481 /nfs/dbraw/zinc/09/84/81/564098481.db2.gz IBILZTIIOKKCHH-UHFFFAOYSA-N 0 0 329.425 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50 0 EIAARN C[C@H](Nc1ccc2c(c1)C(=O)NC2)c1cccc(-c2ccncc2)c1 ZINC000170592618 564108919 /nfs/dbraw/zinc/10/89/19/564108919.db2.gz UOGUHIRIPRRQPC-AWEZNQCLSA-N 0 0 329.403 4.165 50 0 EIAARN O=C(Nc1ncc(Cc2ccccc2)s1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000170593188 564108955 /nfs/dbraw/zinc/10/89/55/564108955.db2.gz ZKGYLYBJHATEHU-MSOLQXFVSA-N 0 0 349.459 4.412 50 0 EIAARN Cc1nc(NC(=O)[C@@H]2CC2(Cl)Cl)c(-c2ccccc2)s1 ZINC000170595456 564109047 /nfs/dbraw/zinc/10/90/47/564109047.db2.gz JKPQZKCCAVZUMV-JTQLQIEISA-N 0 0 327.236 4.251 50 0 EIAARN COc1cccc(SCC(=O)N2CC[C@@H](C)c3cccc(O)c32)c1 ZINC000170597411 564109150 /nfs/dbraw/zinc/10/91/50/564109150.db2.gz MNUJWDJGBUSFEO-CYBMUJFWSA-N 0 0 343.448 4.033 50 0 EIAARN C[C@@H](OC(=O)c1c[nH]c2ccccc21)C(=O)c1c[nH]c2ccccc21 ZINC000007509661 564109445 /nfs/dbraw/zinc/10/94/45/564109445.db2.gz RZYDOXHHNNKPLX-GFCCVEGCSA-N 0 0 332.359 4.077 50 0 EIAARN CN(C)c1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000065696707 564109455 /nfs/dbraw/zinc/10/94/55/564109455.db2.gz PPJFZNAFQKUIIU-SFHVURJKSA-N 0 0 342.870 4.253 50 0 EIAARN Cc1ccc(-c2cnn(CC(=O)Nc3ccc(Cl)cc3C)c2)cc1 ZINC000170604179 564109494 /nfs/dbraw/zinc/10/94/94/564109494.db2.gz YYLQHIZGDQYDTC-UHFFFAOYSA-N 0 0 339.826 4.459 50 0 EIAARN CCc1ccc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)o1 ZINC000170615598 564110003 /nfs/dbraw/zinc/11/00/03/564110003.db2.gz QQLWKNCJAAHNMZ-HNNXBMFYSA-N 0 0 326.440 4.469 50 0 EIAARN Cc1cc(N[C@H](C)C(c2ccccc2)c2ccccc2)n2ncnc2n1 ZINC000170618090 564110073 /nfs/dbraw/zinc/11/00/73/564110073.db2.gz OOSWQSMVCDCQOV-MRXNPFEDSA-N 0 0 343.434 4.065 50 0 EIAARN COc1ccccc1C(=O)N(C)c1nc2c(cccc2Cl)s1 ZINC000170617651 564110097 /nfs/dbraw/zinc/11/00/97/564110097.db2.gz SHJQDWRMRKEDEX-UHFFFAOYSA-N 0 0 332.812 4.235 50 0 EIAARN O=C(C[C@H]1OCCc2ccsc21)NCc1ccc2ccccc2c1 ZINC000170621035 564110286 /nfs/dbraw/zinc/11/02/86/564110286.db2.gz BRUHFJOZLUEMPG-GOSISDBHSA-N 0 0 337.444 4.222 50 0 EIAARN c1c(CSc2nnc(C3CC3)n2C2CC2)noc1-c1ccccc1 ZINC000007550858 564110323 /nfs/dbraw/zinc/11/03/23/564110323.db2.gz PBEKABYUUJQHMD-UHFFFAOYSA-N 0 0 338.436 4.438 50 0 EIAARN Cc1nc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)oc1C ZINC000065751344 564110557 /nfs/dbraw/zinc/11/05/57/564110557.db2.gz SESAFAYZEWSSJD-ZDUSSCGKSA-N 0 0 342.424 4.270 50 0 EIAARN Cc1ccccc1CSC[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000170631634 564110694 /nfs/dbraw/zinc/11/06/94/564110694.db2.gz YGUJAUVIYVUXKA-SFHVURJKSA-N 0 0 340.492 4.256 50 0 EIAARN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000170631326 564110697 /nfs/dbraw/zinc/11/06/97/564110697.db2.gz ACSWWXKIMLTEIZ-OITRNQOZSA-N 0 0 348.531 4.096 50 0 EIAARN CCCn1nc(C)cc1NC(=O)c1cc2occc2c(OC(C)C)c1 ZINC000071195350 564110768 /nfs/dbraw/zinc/11/07/68/564110768.db2.gz BGPXKASBDCBOAG-UHFFFAOYSA-N 0 0 341.411 4.387 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000071185554 564110777 /nfs/dbraw/zinc/11/07/77/564110777.db2.gz WZJCRPDDYZVGGV-UHFFFAOYSA-N 0 0 345.491 4.408 50 0 EIAARN CC(C)Oc1cc(C(=O)NCc2ccccc2F)cc2occc21 ZINC000071195354 564110778 /nfs/dbraw/zinc/11/07/78/564110778.db2.gz XZJPMQIUGUHNRJ-UHFFFAOYSA-N 0 0 327.355 4.289 50 0 EIAARN CCn1nc(C)c(CCC(=O)Nc2nc3c(cccc3C)s2)c1C ZINC000071195406 564110803 /nfs/dbraw/zinc/11/08/03/564110803.db2.gz LAKBALDDMLQJIF-UHFFFAOYSA-N 0 0 342.468 4.009 50 0 EIAARN O=C(CCn1ccc2ccccc21)Nc1nc(-c2cccnc2)cs1 ZINC000071284478 564110870 /nfs/dbraw/zinc/11/08/70/564110870.db2.gz NSVIIFMWFDVHRT-UHFFFAOYSA-N 0 0 348.431 4.189 50 0 EIAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2cccnc2)S1 ZINC000071285299 564110877 /nfs/dbraw/zinc/11/08/77/564110877.db2.gz HVGXUNTUULBJDG-OAHLLOKOSA-N 0 0 328.441 4.375 50 0 EIAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2cnn(C)c2)S1 ZINC000071284651 564110907 /nfs/dbraw/zinc/11/09/07/564110907.db2.gz NNQSHEPMIUZNIM-OAHLLOKOSA-N 0 0 345.472 4.104 50 0 EIAARN CC(C)c1nc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000071819607 564111258 /nfs/dbraw/zinc/11/12/58/564111258.db2.gz LAHUIJYGVVCZPU-GFCCVEGCSA-N 0 0 329.469 4.002 50 0 EIAARN Cc1c([C@H](C)NC(=O)/C=C/c2cccc(-c3ccccc3)c2)cnn1C ZINC000071820861 564111272 /nfs/dbraw/zinc/11/12/72/564111272.db2.gz MXAPQDMTCVVRCO-DBTPVHCXSA-N 0 0 345.446 4.286 50 0 EIAARN Cc1csc(-c2ccc(NC(=O)N(C)Cc3ccncc3)cc2)n1 ZINC000071854016 564111355 /nfs/dbraw/zinc/11/13/55/564111355.db2.gz WBAWLPMXDPIWKE-UHFFFAOYSA-N 0 0 338.436 4.177 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 ZINC000014401804 564112461 /nfs/dbraw/zinc/11/24/61/564112461.db2.gz RLVIRPBIBNPMLI-CYBMUJFWSA-N 0 0 341.904 4.289 50 0 EIAARN Cc1ccc(C)c(OCc2nnc(SC3C[C@H](C)O[C@@H](C)C3)o2)c1 ZINC000089623933 564112739 /nfs/dbraw/zinc/11/27/39/564112739.db2.gz MEYGHLNDSZQLEB-KBPBESRZSA-N 0 0 348.468 4.314 50 0 EIAARN Cc1ccc(CNc2ccc(CCC(=O)N3CCCC3)cc2)s1 ZINC000089656605 564112893 /nfs/dbraw/zinc/11/28/93/564112893.db2.gz LDKONBOMGDSGJA-UHFFFAOYSA-N 0 0 328.481 4.224 50 0 EIAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)s1 ZINC000089656378 564112935 /nfs/dbraw/zinc/11/29/35/564112935.db2.gz XYRNPNFLVXPCSS-YUTCNCBUSA-N 0 0 345.468 4.078 50 0 EIAARN Cc1csc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000089705622 564113255 /nfs/dbraw/zinc/11/32/55/564113255.db2.gz SBWPTROQOPTBGB-KRWDZBQOSA-N 0 0 329.856 4.379 50 0 EIAARN O=C(Cc1csc(Nc2ccccc2)n1)NCC1CCCCC1 ZINC000016850092 564113900 /nfs/dbraw/zinc/11/39/00/564113900.db2.gz OYQYHJFHFHRFDO-UHFFFAOYSA-N 0 0 329.469 4.126 50 0 EIAARN O=C(Nc1cccc2cccnc21)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000089808051 564113973 /nfs/dbraw/zinc/11/39/73/564113973.db2.gz RESLZPDOQIYZRE-CHWSQXEVSA-N 0 0 337.345 4.477 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2Oc3ccccc3[C@H]2C)n1 ZINC000076016981 564114308 /nfs/dbraw/zinc/11/43/08/564114308.db2.gz RFSHLQKWWGPALO-KMFMINBZSA-N 0 0 342.464 4.070 50 0 EIAARN CC(C)c1nc([C@@H]2CCCN2C(=O)CC/C=C/c2ccccc2)no1 ZINC000076044470 564114883 /nfs/dbraw/zinc/11/48/83/564114883.db2.gz FBMVEZFFGAGQAM-CEUCYRDJSA-N 0 0 339.439 4.350 50 0 EIAARN C[C@@H](NC(=O)Nc1cccc(-c2ncco2)c1)[C@H]1COc2ccccc21 ZINC000089894423 564114980 /nfs/dbraw/zinc/11/49/80/564114980.db2.gz OIISKFOLMPAOMA-CXAGYDPISA-N 0 0 349.390 4.028 50 0 EIAARN CCn1nnc2cc(C(=O)N3CCCC4(C3)CCCCCC4)ccc21 ZINC000076067104 564115296 /nfs/dbraw/zinc/11/52/96/564115296.db2.gz SGYOYTUXJAKVEC-UHFFFAOYSA-N 0 0 340.471 4.028 50 0 EIAARN COc1cccc(CNc2ncc(-c3ccccc3)s2)c1OC ZINC000076093086 564115666 /nfs/dbraw/zinc/11/56/66/564115666.db2.gz IKNQUVMBBDIZBU-UHFFFAOYSA-N 0 0 326.421 4.439 50 0 EIAARN O=C(Nc1csc(N2CCCCC2)n1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000076094663 564115697 /nfs/dbraw/zinc/11/56/97/564115697.db2.gz PDSDWDRKVRAREE-LSDHHAIUSA-N 0 0 345.443 4.015 50 0 EIAARN Cc1nnc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)s1 ZINC000271366395 564116175 /nfs/dbraw/zinc/11/61/75/564116175.db2.gz KAMHBNQHJUANRV-UHFFFAOYSA-N 0 0 346.481 4.486 50 0 EIAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)O[C@H](C)c3cccc(C)c3)c12 ZINC000170632951 564116294 /nfs/dbraw/zinc/11/62/94/564116294.db2.gz FIXDZUDJLFNRFH-CQSZACIVSA-N 0 0 349.434 4.381 50 0 EIAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)NCCc1ccccc1 ZINC000017115804 564116446 /nfs/dbraw/zinc/11/64/46/564116446.db2.gz RETBMAXCLLXILU-UHFFFAOYSA-N 0 0 337.250 4.378 50 0 EIAARN Cc1cccc(Nc2nn3c(nc4ccc(Cl)cc4c3=O)s2)c1 ZINC000017135454 564116538 /nfs/dbraw/zinc/11/65/38/564116538.db2.gz YJKNEULYWBXLSJ-UHFFFAOYSA-N 0 0 342.811 4.010 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)cs1)NCc1ccccc1 ZINC000001076561 564116847 /nfs/dbraw/zinc/11/68/47/564116847.db2.gz XRPBOKXSJKTHIF-UHFFFAOYSA-N 0 0 340.473 4.219 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000002825574 564117011 /nfs/dbraw/zinc/11/70/11/564117011.db2.gz ATFLHKCVMXMZJL-MRXNPFEDSA-N 0 0 336.435 4.119 50 0 EIAARN CCOc1cc(C=O)ccc1OCCOc1cc(C)cc(CC)c1 ZINC000002875655 564117057 /nfs/dbraw/zinc/11/70/57/564117057.db2.gz FYDKCSUSXAWEEB-UHFFFAOYSA-N 0 0 328.408 4.226 50 0 EIAARN Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000002871309 564117058 /nfs/dbraw/zinc/11/70/58/564117058.db2.gz ZBVPQQXOXXEBIK-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000003105462 564117112 /nfs/dbraw/zinc/11/71/12/564117112.db2.gz AVPWAJWIJXDMMU-UHFFFAOYSA-N 0 0 344.414 4.177 50 0 EIAARN Cc1nc2ccccc2nc1NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000170637179 564117346 /nfs/dbraw/zinc/11/73/46/564117346.db2.gz XJUNWWMTULWCQU-OAHLLOKOSA-N 0 0 348.233 4.391 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2C)n1 ZINC000006730290 564117470 /nfs/dbraw/zinc/11/74/70/564117470.db2.gz ANHRIBPRRUVYAL-UHFFFAOYSA-N 0 0 328.224 4.066 50 0 EIAARN CC[C@]1(C)C[C@@](CCN2C(=O)c3ccccc3C2=O)(C(C)C)CCO1 ZINC000002110000 564117978 /nfs/dbraw/zinc/11/79/78/564117978.db2.gz BEJITXVNDNZAGW-RTWAWAEBSA-N 0 0 343.467 4.294 50 0 biogenic EIAARN CCCOc1ccc2c(c1)oc(=O)cc2-c1cc2ccccc2oc1=O ZINC000002126901 564118486 /nfs/dbraw/zinc/11/84/86/564118486.db2.gz AIOZFGZKEWRHJS-UHFFFAOYSA-N 0 0 348.354 4.355 50 0 biogenic EIAARN COc1ccc(C(=O)Nc2ccc(Cl)c3ncsc32)cc1OC ZINC000007598825 564118988 /nfs/dbraw/zinc/11/89/88/564118988.db2.gz BUANYPNFJGEAJU-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN O=c1c2ccc(Cl)cc2ncn1Cc1c(Cl)cccc1Cl ZINC000002544866 564119062 /nfs/dbraw/zinc/11/90/62/564119062.db2.gz QWURMFUUXAEJKY-UHFFFAOYSA-N 0 0 339.609 4.405 50 0 EIAARN CC(C)Oc1ncccc1C(=O)Nc1ccccc1-c1ccncc1 ZINC000252479134 564119157 /nfs/dbraw/zinc/11/91/57/564119157.db2.gz AZTVROYEXMMISJ-UHFFFAOYSA-N 0 0 333.391 4.183 50 0 EIAARN CCCCc1nc(C)sc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000252486641 564119338 /nfs/dbraw/zinc/11/93/38/564119338.db2.gz HNJFOCWORWENEW-LLVKDONJSA-N 0 0 342.468 4.161 50 0 EIAARN Cc1ccc(CN(C)C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)nc1 ZINC000252500205 564119784 /nfs/dbraw/zinc/11/97/84/564119784.db2.gz SPBSOOAFNYWHPT-FQEVSTJZSA-N 0 0 337.467 4.342 50 0 EIAARN CC(C)(c1csc(-c2cccs2)n1)c1nc([C@@H]2CCCO2)no1 ZINC000252510961 564120046 /nfs/dbraw/zinc/12/00/46/564120046.db2.gz ZSSYYUGECHTEMA-JTQLQIEISA-N 0 0 347.465 4.432 50 0 EIAARN CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)sc2C1 ZINC000252517893 564120289 /nfs/dbraw/zinc/12/02/89/564120289.db2.gz UJUNZKSXDGBDCI-VHDGCEQUSA-N 0 0 341.480 4.185 50 0 EIAARN CCCSC(=O)N(CC)CC(=O)Nc1c(CC)cccc1CC ZINC000002182801 564120707 /nfs/dbraw/zinc/12/07/07/564120707.db2.gz HQBGWVJVKKEKLQ-UHFFFAOYSA-N 0 0 336.501 4.335 50 0 EIAARN Cn1cccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C(C)(C)C)C3 ZINC000007660687 564121657 /nfs/dbraw/zinc/12/16/57/564121657.db2.gz ZSTBQKWZKLTCTE-BZNIZROVSA-N 0 0 343.496 4.092 50 0 EIAARN COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1Br ZINC000007667361 564121713 /nfs/dbraw/zinc/12/17/13/564121713.db2.gz HIZJKIXPLPRNBI-UHFFFAOYSA-N 0 0 338.176 4.158 50 0 EIAARN Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1C ZINC000007725708 564122273 /nfs/dbraw/zinc/12/22/73/564122273.db2.gz IIOTZHMOBXBSQW-UHFFFAOYSA-N 0 0 338.407 4.130 50 0 EIAARN Cc1cc2nc(Sc3ccc4c(c3)OCCO4)c3ccccc3n2n1 ZINC000007737807 564122550 /nfs/dbraw/zinc/12/25/50/564122550.db2.gz AQNSLMZJHKMTKS-UHFFFAOYSA-N 0 0 349.415 4.113 50 0 EIAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(F)cc1 ZINC000007779496 564123093 /nfs/dbraw/zinc/12/30/93/564123093.db2.gz ZXWNNKJFEGFPPU-UHFFFAOYSA-N 0 0 343.789 4.285 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCCc2cc(C)ccc21 ZINC000007781832 564123232 /nfs/dbraw/zinc/12/32/32/564123232.db2.gz FGSCOBICSLNBFO-UHFFFAOYSA-N 0 0 345.446 4.391 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(C(=O)NC2CCCCCCC2)cc1 ZINC000066013900 564123271 /nfs/dbraw/zinc/12/32/71/564123271.db2.gz KPRBNUAZQDTPGX-UHFFFAOYSA-N 0 0 330.472 4.058 50 0 EIAARN C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000007811938 564123981 /nfs/dbraw/zinc/12/39/81/564123981.db2.gz BNVNGPYGYNSMGN-ROUUACIJSA-N 0 0 336.479 4.194 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)N1CCc2sccc2[C@H]1C ZINC000007829495 564124104 /nfs/dbraw/zinc/12/41/04/564124104.db2.gz HRWFUIWOYNLIKA-GFCCVEGCSA-N 0 0 335.856 4.235 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)CSc3ccncc3)c2)cs1 ZINC000008025146 564124230 /nfs/dbraw/zinc/12/42/30/564124230.db2.gz OVJIUIZHANERLE-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(Cl)cc1F ZINC000007878417 564124346 /nfs/dbraw/zinc/12/43/46/564124346.db2.gz QOMBCYYQVCANRF-SNVBAGLBSA-N 0 0 338.835 4.098 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000001986198 564125021 /nfs/dbraw/zinc/12/50/21/564125021.db2.gz ADZJIPPOIGDZLK-RMKNXTFCSA-N 0 0 331.799 4.318 50 0 EIAARN O=C(CSc1ccncc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000298284851 564125306 /nfs/dbraw/zinc/12/53/06/564125306.db2.gz KEKPSGFGTCTREN-MRXNPFEDSA-N 0 0 332.856 4.191 50 0 EIAARN O=C(CSc1ccncc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000298284849 564125310 /nfs/dbraw/zinc/12/53/10/564125310.db2.gz KEKPSGFGTCTREN-INIZCTEOSA-N 0 0 332.856 4.191 50 0 EIAARN CCCSc1nnc(NC(=O)c2cccc3ccccc32)s1 ZINC000002268618 564125371 /nfs/dbraw/zinc/12/53/71/564125371.db2.gz MEHHVDMYANFBET-UHFFFAOYSA-N 0 0 329.450 4.446 50 0 EIAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)nc2c1 ZINC000021346000 564129121 /nfs/dbraw/zinc/12/91/21/564129121.db2.gz NDZXEAVXECABOO-MGPQQGTHSA-N 0 0 331.485 4.047 50 0 EIAARN Cc1nc(C2CC2)oc1C(=O)N[C@@](C)(c1ccccc1)C(F)(F)F ZINC000253420448 564131017 /nfs/dbraw/zinc/13/10/17/564131017.db2.gz XJTMXBHMSKILQZ-INIZCTEOSA-N 0 0 338.329 4.068 50 0 EIAARN O=C(Nc1ccc(F)c(C2CC2)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000253429677 564131286 /nfs/dbraw/zinc/13/12/86/564131286.db2.gz UKDXTWFBPVFXEN-MRXNPFEDSA-N 0 0 328.391 4.185 50 0 EIAARN O=C(Nc1ccncc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000253431343 564131794 /nfs/dbraw/zinc/13/17/94/564131794.db2.gz VJNLKQQEGZXJLC-GOSISDBHSA-N 0 0 347.422 4.231 50 0 EIAARN C[C@@H](Sc1ccc(N)cc1)C(=O)OCc1cccc2cccnc21 ZINC000253431174 564131815 /nfs/dbraw/zinc/13/18/15/564131815.db2.gz UGXXBTWOKFJSLO-CYBMUJFWSA-N 0 0 338.432 4.041 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253500101 564132799 /nfs/dbraw/zinc/13/27/99/564132799.db2.gz WGYHVQYXJNPQAA-YNGMDASDSA-N 0 0 332.484 4.099 50 0 EIAARN O=C(CCn1cccc1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000073489054 564133603 /nfs/dbraw/zinc/13/36/03/564133603.db2.gz QKWPDSZVQMPGPX-UHFFFAOYSA-N 0 0 336.420 4.122 50 0 EIAARN CN1c2ccccc2C(C)(C)C1=CC=Nc1ccc2[nH]c(=O)oc2c1 ZINC000013161897 564133912 /nfs/dbraw/zinc/13/39/12/564133912.db2.gz CZBTYXAUNVTUBK-DABDJHBXSA-N 0 0 333.391 4.135 50 0 EIAARN O=c1[nH]c2ccccc2cc1CNC1(c2c(F)cccc2F)CCC1 ZINC000585123527 564133991 /nfs/dbraw/zinc/13/39/91/564133991.db2.gz DZSHRHSYGPBYFI-UHFFFAOYSA-N 0 0 340.373 4.388 50 0 EIAARN Cc1ccc(CN(Cc2nnc([C@@H]3CCCOC3)o2)C(C)(C)C)cc1 ZINC000585123493 564134007 /nfs/dbraw/zinc/13/40/07/564134007.db2.gz RHXOWVQIUAMIRX-QGZVFWFLSA-N 0 0 343.471 4.073 50 0 EIAARN CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(C)cc3)NC(=O)CN21 ZINC000002398709 564134528 /nfs/dbraw/zinc/13/45/28/564134528.db2.gz LAQWZTJZWIVJGC-OTOIZHKDSA-N 0 0 346.474 4.195 50 0 EIAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC1 ZINC000027822910 564134784 /nfs/dbraw/zinc/13/47/84/564134784.db2.gz MAYMKGLHQMPHFN-UHFFFAOYSA-N 0 0 345.892 4.002 50 0 EIAARN CCc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 ZINC000002447246 564135256 /nfs/dbraw/zinc/13/52/56/564135256.db2.gz VXWILSIQAXOULW-UHFFFAOYSA-N 0 0 347.414 4.201 50 0 EIAARN CCN(CC)C(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000002446520 564135257 /nfs/dbraw/zinc/13/52/57/564135257.db2.gz VICUUINYNATGAH-IBGZPJMESA-N 0 0 329.415 4.225 50 0 EIAARN CCN(CC)C(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000002446519 564135269 /nfs/dbraw/zinc/13/52/69/564135269.db2.gz VICUUINYNATGAH-LJQANCHMSA-N 0 0 329.415 4.225 50 0 EIAARN CCN1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O ZINC000012539716 564135282 /nfs/dbraw/zinc/13/52/82/564135282.db2.gz FXNJDCVASDVKAV-SFHVURJKSA-N 0 0 347.462 4.037 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(Cl)c1 ZINC000007944665 564135377 /nfs/dbraw/zinc/13/53/77/564135377.db2.gz GETBUBSKFSRVJZ-GOSISDBHSA-N 0 0 340.810 4.243 50 0 EIAARN O=C(CSc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000013017484 564135898 /nfs/dbraw/zinc/13/58/98/564135898.db2.gz LYAFITDOYOQRLG-UHFFFAOYSA-N 0 0 327.327 4.316 50 0 EIAARN Cc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1C)Nc1ccccc1-2 ZINC000013123877 564136045 /nfs/dbraw/zinc/13/60/45/564136045.db2.gz PPPUDCRSTSZKGP-NRFANRHFSA-N 0 0 341.418 4.325 50 0 aggregator EIAARN Cc1cccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 ZINC000013367481 564136317 /nfs/dbraw/zinc/13/63/17/564136317.db2.gz BVUQAMFHSRMCMU-UHFFFAOYSA-N 0 0 348.427 4.310 50 0 EIAARN CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2ccccc2n1 ZINC000078880144 564137341 /nfs/dbraw/zinc/13/73/41/564137341.db2.gz TZSUFQPPCWEUTK-LJQANCHMSA-N 0 0 334.467 4.354 50 0 EIAARN C[C@H]1C(=O)Nc2ccccc2N1Cc1c(Cl)ccc2cccnc21 ZINC000078970670 564137469 /nfs/dbraw/zinc/13/74/69/564137469.db2.gz BLWWKMVATGFHLI-LBPRGKRZSA-N 0 0 337.810 4.235 50 0 EIAARN Cc1nnc([C@@H](C)Nc2ccc(OCc3ccco3)c(Cl)c2)o1 ZINC000079030389 564137704 /nfs/dbraw/zinc/13/77/04/564137704.db2.gz HGDVBQNXNCREIR-SNVBAGLBSA-N 0 0 333.775 4.377 50 0 EIAARN C[C@H](OC(=O)Cc1c(F)cccc1F)c1cnc2ccccc2c1 ZINC000079075396 564137813 /nfs/dbraw/zinc/13/78/13/564137813.db2.gz KEXXZWCKHAPUEH-LBPRGKRZSA-N 0 0 327.330 4.360 50 0 EIAARN C[C@@H](OC(=O)Cc1c(F)cccc1F)c1cnc2ccccc2c1 ZINC000079075401 564137820 /nfs/dbraw/zinc/13/78/20/564137820.db2.gz KEXXZWCKHAPUEH-GFCCVEGCSA-N 0 0 327.330 4.360 50 0 EIAARN Cc1c2ccccc2sc1C(=O)N[C@@H](C)C[C@H](O)c1ccco1 ZINC000079107531 564137896 /nfs/dbraw/zinc/13/78/96/564137896.db2.gz YDPCAOXOHDELFU-FZMZJTMJSA-N 0 0 329.421 4.045 50 0 EIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)NCc1ccc(F)cc1 ZINC000390829707 564138630 /nfs/dbraw/zinc/13/86/30/564138630.db2.gz GAKUXHKTIJQBQW-CYBMUJFWSA-N 0 0 326.371 4.002 50 0 EIAARN CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000390833246 564138776 /nfs/dbraw/zinc/13/87/76/564138776.db2.gz FDXREOJGLAUAON-UHFFFAOYSA-N 0 0 331.803 4.042 50 0 EIAARN Cc1cccnc1[C@@H]1CCC[C@@H](Nc2cccc(C[S@@](C)=O)c2)C1 ZINC000390834473 564138929 /nfs/dbraw/zinc/13/89/29/564138929.db2.gz ZMKSZCBQXQCCAS-ROMRWMGNSA-N 0 0 342.508 4.407 50 0 EIAARN Cc1cnc([C@H](C)Nc2ccc(NC(=O)NCc3ccco3)cc2)o1 ZINC000390834397 564138941 /nfs/dbraw/zinc/13/89/41/564138941.db2.gz XYUVDZJIWGDUSS-ZDUSSCGKSA-N 0 0 340.383 4.071 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000390834358 564138944 /nfs/dbraw/zinc/13/89/44/564138944.db2.gz WZDRSCBOGNJAMG-LLVKDONJSA-N 0 0 333.819 4.077 50 0 EIAARN Cc1cnc([C@H](C)Nc2cnn(-c3ccccc3Br)c2)o1 ZINC000390835742 564139041 /nfs/dbraw/zinc/13/90/41/564139041.db2.gz WPWWAFIZBCXWJA-NSHDSACASA-N 0 0 347.216 4.104 50 0 EIAARN C[C@H](O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000095431339 564140345 /nfs/dbraw/zinc/14/03/45/564140345.db2.gz GZPZLIGQTUSICN-HOTGVXAUSA-N 0 0 340.423 4.104 50 0 EIAARN C[C@@H]1C[C@H](CNC(=O)Nc2ccccc2N(C)C2CCCC2)CCO1 ZINC000095458253 564140670 /nfs/dbraw/zinc/14/06/70/564140670.db2.gz FMUJCOXACXOINZ-HZPDHXFCSA-N 0 0 345.487 4.002 50 0 EIAARN CCOc1ccc(NC(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)cc1 ZINC000095465789 564140997 /nfs/dbraw/zinc/14/09/97/564140997.db2.gz LXPCMRPRQDMANA-AEFFLSMTSA-N 0 0 334.460 4.191 50 0 EIAARN CCOc1ccc(NC(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)cc1 ZINC000095465792 564140999 /nfs/dbraw/zinc/14/09/99/564140999.db2.gz LXPCMRPRQDMANA-FUHWJXTLSA-N 0 0 334.460 4.191 50 0 EIAARN CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccccc2OC(F)F)CCO1 ZINC000095465856 564141000 /nfs/dbraw/zinc/14/10/00/564141000.db2.gz IQCOPHOTZXREMT-XJKSGUPXSA-N 0 0 341.398 4.002 50 0 EIAARN O=C1CS[C@H](c2ccccc2)c2cnn(Cc3cccs3)c2N1 ZINC000095477836 564141463 /nfs/dbraw/zinc/14/14/63/564141463.db2.gz ZWNOAXOKKFFNTE-MRXNPFEDSA-N 0 0 341.461 4.417 50 0 EIAARN O=c1[nH]nc(-c2ccccc2)cc1Cc1cccc(OC(F)F)c1 ZINC000095477356 564141497 /nfs/dbraw/zinc/14/14/97/564141497.db2.gz BEKXISBSKGZURS-UHFFFAOYSA-N 0 0 328.318 4.041 50 0 EIAARN CC(=O)Nc1nc(C)c(-c2ccnc(C(C)(C)C(F)(F)F)c2)s1 ZINC000095642794 564141818 /nfs/dbraw/zinc/14/18/18/564141818.db2.gz PUQITTZJAFOSAJ-UHFFFAOYSA-N 0 0 343.374 4.312 50 0 EIAARN CC(=O)c1c[nH]c(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000007965434 564141898 /nfs/dbraw/zinc/14/18/98/564141898.db2.gz NKRSDKGCKLCOPS-UHFFFAOYSA-N 0 0 340.467 4.104 50 0 EIAARN Clc1cccc(Cn2nccc2NCc2cccnc2)c1Cl ZINC000095939050 564141935 /nfs/dbraw/zinc/14/19/35/564141935.db2.gz NHQHTCIIRHAGSU-UHFFFAOYSA-N 0 0 333.222 4.245 50 0 EIAARN O=C(NCCC1=CCCCC1)Nc1nc(-c2ccsc2)ns1 ZINC000095942271 564142033 /nfs/dbraw/zinc/14/20/33/564142033.db2.gz QJNBRXUEFDJEAF-UHFFFAOYSA-N 0 0 334.470 4.279 50 0 EIAARN O=C(Oc1ccccc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000095949834 564142360 /nfs/dbraw/zinc/14/23/60/564142360.db2.gz KTTVOZUZGFSXQY-CQSZACIVSA-N 0 0 338.432 4.118 50 0 EIAARN COCCc1noc(C2(c3ccc(Cl)c(Cl)c3)CCC2)n1 ZINC000095964077 564142852 /nfs/dbraw/zinc/14/28/52/564142852.db2.gz UNSUNSUIRIPBNM-UHFFFAOYSA-N 0 0 327.211 4.035 50 0 EIAARN Cc1ccc([C@@H](C)N(C)Cc2noc(Cc3ccccc3C)n2)cc1 ZINC000095964355 564142854 /nfs/dbraw/zinc/14/28/54/564142854.db2.gz IDZWBMQISVAVNR-QGZVFWFLSA-N 0 0 335.451 4.470 50 0 EIAARN CCc1cnc(CNc2cccc(C(=O)N3CCc4ccccc43)c2)o1 ZINC000095966030 564142961 /nfs/dbraw/zinc/14/29/61/564142961.db2.gz LTHDERXBZVVUBN-UHFFFAOYSA-N 0 0 347.418 4.052 50 0 EIAARN CN(C)C(=O)c1ccc(CNc2cccc(Oc3ccccc3)c2)[nH]1 ZINC000095989192 564144078 /nfs/dbraw/zinc/14/40/78/564144078.db2.gz PRKVWGHEVBOODC-UHFFFAOYSA-N 0 0 335.407 4.121 50 0 EIAARN O=C(C1CCC(F)(F)CC1)N(c1cccc(F)c1)C1CCOCC1 ZINC000095991102 564144128 /nfs/dbraw/zinc/14/41/28/564144128.db2.gz LEMGSJOEFNLNSB-UHFFFAOYSA-N 0 0 341.373 4.163 50 0 EIAARN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc(C)cc2C)no1 ZINC000095998822 564144329 /nfs/dbraw/zinc/14/43/29/564144329.db2.gz UQHFZRVUAHZJML-INIZCTEOSA-N 0 0 328.416 4.144 50 0 EIAARN Cc1ccncc1NC(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1 ZINC000096000147 564144365 /nfs/dbraw/zinc/14/43/65/564144365.db2.gz AVQYXHQMWZNCES-OAHLLOKOSA-N 0 0 343.431 4.046 50 0 EIAARN Cc1noc(-c2ccccc2)c1C(=O)N[C@H](C)Cc1ccccc1F ZINC000096011187 564144722 /nfs/dbraw/zinc/14/47/22/564144722.db2.gz MWTFXXJTKXXLBB-CYBMUJFWSA-N 0 0 338.382 4.150 50 0 EIAARN CO[C@@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccccc1C ZINC000096105047 564145370 /nfs/dbraw/zinc/14/53/70/564145370.db2.gz KTHZRHZTMSWSRV-QHSLDKKCSA-N 0 0 341.476 4.234 50 0 EIAARN CO[C@H](CNC(=O)NCc1cccc2ccccc21)c1ccccc1C ZINC000096105196 564145372 /nfs/dbraw/zinc/14/53/72/564145372.db2.gz VAEDQPNDEXRVRE-OAQYLSRUSA-N 0 0 348.446 4.335 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000007968320 564145776 /nfs/dbraw/zinc/14/57/76/564145776.db2.gz LPQOWCFAHJGOGA-QMMMGPOBSA-N 0 0 329.705 4.163 50 0 EIAARN Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000096137189 564145801 /nfs/dbraw/zinc/14/58/01/564145801.db2.gz RGXZVEIHQORPJI-MDZDMXLPSA-N 0 0 341.354 4.426 50 0 EIAARN CC1(C)CC(=O)Nc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc21 ZINC000096182999 564145871 /nfs/dbraw/zinc/14/58/71/564145871.db2.gz DKYCJPNBJNCDSN-JKSUJKDBSA-N 0 0 334.419 4.049 50 0 EIAARN C[C@]1(C(=O)Nc2cccc(F)c2)CC(c2ccccc2Cl)=NO1 ZINC000096192863 564145945 /nfs/dbraw/zinc/14/59/45/564145945.db2.gz XRHMGXBWNAAOCQ-QGZVFWFLSA-N 0 0 332.762 4.001 50 0 EIAARN CC(C)CN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccccc1 ZINC000096275712 564146232 /nfs/dbraw/zinc/14/62/32/564146232.db2.gz ZDAUTITYMIPQQD-UHFFFAOYSA-N 0 0 349.434 4.078 50 0 EIAARN CC(C)CC(=O)N[C@@H](c1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000096276052 564146261 /nfs/dbraw/zinc/14/62/61/564146261.db2.gz HLTXBCAXKMGTIO-OAHLLOKOSA-N 0 0 335.835 4.249 50 0 EIAARN NC(=O)C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1 ZINC000096287576 564146423 /nfs/dbraw/zinc/14/64/23/564146423.db2.gz HPYAPZFBRIJVOG-CYBMUJFWSA-N 0 0 333.218 4.482 50 0 EIAARN COc1ccc(/C=C\C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 ZINC000096305335 564146648 /nfs/dbraw/zinc/14/66/48/564146648.db2.gz NVARFQHFWMZIEC-ACQXMXPUSA-N 0 0 338.451 4.191 50 0 EIAARN CO[C@@H](CNC(=O)c1cc2ccccc2s1)c1ccccc1C ZINC000096389249 564146988 /nfs/dbraw/zinc/14/69/88/564146988.db2.gz STOHFDDUYBRSKU-INIZCTEOSA-N 0 0 325.433 4.327 50 0 EIAARN CC(=O)Nc1cc(NC(=O)N(C)[C@@H](C)C2CCCCC2)ccc1F ZINC000282590664 564147092 /nfs/dbraw/zinc/14/70/92/564147092.db2.gz 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/nfs/dbraw/zinc/14/80/71/564148071.db2.gz XABQFWNZSXRXDL-LBPRGKRZSA-N 0 0 329.400 4.237 50 0 EIAARN Cc1nccn1Cc1ccc(NCc2cccc3cccnc32)cc1 ZINC000096482867 564148635 /nfs/dbraw/zinc/14/86/35/564148635.db2.gz ZKPMICKMBIDZRN-UHFFFAOYSA-N 0 0 328.419 4.400 50 0 EIAARN CC(C)(C)C(=O)N1CCC(CNc2ccc(F)c(Cl)c2)CC1 ZINC000097164977 564149488 /nfs/dbraw/zinc/14/94/88/564149488.db2.gz CYJJHYYMNZJWPL-UHFFFAOYSA-N 0 0 326.843 4.176 50 0 EIAARN CCc1ccc([C@H]2C[C@@H](c3ccc(CC)cc3)Nc3nc(N)nn32)cc1 ZINC000002472215 564149713 /nfs/dbraw/zinc/14/97/13/564149713.db2.gz WPHDCBKPJVAXGI-RBUKOAKNSA-N 0 0 347.466 4.131 50 0 EIAARN O=C(NC[C@@H](O)C1CCCCC1)c1ccc(-c2ccsc2)cc1 ZINC000225618764 564149978 /nfs/dbraw/zinc/14/99/78/564149978.db2.gz IJABGHFNFJVSDH-GOSISDBHSA-N 0 0 329.465 4.086 50 0 EIAARN Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccco1 ZINC000225625138 564150018 /nfs/dbraw/zinc/15/00/18/564150018.db2.gz WDJUILKLYWPFPL-MDZDMXLPSA-N 0 0 345.358 4.443 50 0 EIAARN O=C(/C=C/c1cccs1)N1CCc2cc(-c3ccncc3)ccc21 ZINC000225638171 564150079 /nfs/dbraw/zinc/15/00/79/564150079.db2.gz VDEJUZUMPAHRHJ-GQCTYLIASA-N 0 0 332.428 4.413 50 0 EIAARN O=C(NCc1cccnc1-c1ccsc1)Nc1c(F)cccc1F ZINC000225648615 564150110 /nfs/dbraw/zinc/15/01/10/564150110.db2.gz XTOZZCPLAWHVFC-UHFFFAOYSA-N 0 0 345.374 4.410 50 0 EIAARN O=C(NCc1ccnc(-c2ccco2)c1)c1ccc(-n2cccc2)cc1 ZINC000225656195 564150140 /nfs/dbraw/zinc/15/01/40/564150140.db2.gz QCVDASMDXMXFCK-UHFFFAOYSA-N 0 0 343.386 4.062 50 0 EIAARN C[C@H](O)c1ccc(C2(CNC(=O)[C@@H]3CC=CCC3)CCCC2)s1 ZINC000225682421 564150284 /nfs/dbraw/zinc/15/02/84/564150284.db2.gz JTWQXJOTPKTTAY-LSDHHAIUSA-N 0 0 333.497 4.086 50 0 EIAARN O=C(Nc1ccccc1)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000225706115 564150359 /nfs/dbraw/zinc/15/03/59/564150359.db2.gz URVIAPUMYYMUNO-UHFFFAOYSA-N 0 0 347.418 4.310 50 0 EIAARN O=C(CCC1CCCC1)Nc1cnn(Cc2cccc(Cl)c2)c1 ZINC000028220578 564150719 /nfs/dbraw/zinc/15/07/19/564150719.db2.gz VYTAXCIDANXFMM-UHFFFAOYSA-N 0 0 331.847 4.494 50 0 EIAARN CCOc1ccccc1OCCC(=O)Nc1cc(Cl)ccc1C ZINC000002625357 564151320 /nfs/dbraw/zinc/15/13/20/564151320.db2.gz NRRFHHMQBCBYLG-UHFFFAOYSA-N 0 0 333.815 4.455 50 0 EIAARN Cc1cc(C)c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c(C)c1 ZINC000002635314 564151551 /nfs/dbraw/zinc/15/15/51/564151551.db2.gz JWTKAVGMNCBXLP-MRXNPFEDSA-N 0 0 340.448 4.053 50 0 EIAARN Cc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3o2)cc1 ZINC000002645510 564151821 /nfs/dbraw/zinc/15/18/21/564151821.db2.gz FQBPGRRJSUBVSK-UHFFFAOYSA-N 0 0 346.839 4.198 50 0 EIAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc2C1 ZINC000002654304 564151935 /nfs/dbraw/zinc/15/19/35/564151935.db2.gz CPRJMXFKVFNOLO-MRXNPFEDSA-N 0 0 331.415 4.192 50 0 EIAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000002655317 564151978 /nfs/dbraw/zinc/15/19/78/564151978.db2.gz UQBKRZVBFJWHGZ-DJJJIMSYSA-N 0 0 342.439 4.179 50 0 EIAARN Fc1cccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)c1 ZINC000002698644 564152169 /nfs/dbraw/zinc/15/21/69/564152169.db2.gz IEBQPOORJSVUHP-UHFFFAOYSA-N 0 0 347.397 4.438 50 0 EIAARN CCOc1ccccc1C(=O)NCCSc1c[nH]c2ccccc12 ZINC000002720994 564152254 /nfs/dbraw/zinc/15/22/54/564152254.db2.gz RERNUBNYAJLKRR-UHFFFAOYSA-N 0 0 340.448 4.089 50 0 EIAARN CCn1cc([C@@H](C)NC(=O)c2cccc(Oc3ccccc3)c2)c(C)n1 ZINC000002758685 564152476 /nfs/dbraw/zinc/15/24/76/564152476.db2.gz UDHQPPIHSXBJBR-OAHLLOKOSA-N 0 0 349.434 4.495 50 0 EIAARN Cc1ccc([C@H]2C[C@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 ZINC000002786797 564152607 /nfs/dbraw/zinc/15/26/07/564152607.db2.gz KUBBTCLXNNKWNA-HUUCEWRRSA-N 0 0 346.459 4.407 50 0 EIAARN Cc1nn([C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c2ccccc12 ZINC000002908502 564153004 /nfs/dbraw/zinc/15/30/04/564153004.db2.gz MZTBFFMSOTZSPH-KXBFYZLASA-N 0 0 333.435 4.100 50 0 EIAARN Cc1cc(C)cc(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1 ZINC000002908300 564153026 /nfs/dbraw/zinc/15/30/26/564153026.db2.gz FMFMYCWAWXVQMN-UHFFFAOYSA-N 0 0 345.472 4.035 50 0 EIAARN Cc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3nnnc3N2)cc1C ZINC000002919591 564153053 /nfs/dbraw/zinc/15/30/53/564153053.db2.gz GWQMUBOAGAWECO-SJORKVTESA-N 0 0 339.830 4.090 50 0 EIAARN Fc1ccccc1-c1nnc2ccc(N[C@@H]3CCc4ccccc43)nn21 ZINC000057136735 564153308 /nfs/dbraw/zinc/15/33/08/564153308.db2.gz WRHMGZOXLMNNRE-QGZVFWFLSA-N 0 0 345.381 4.030 50 0 EIAARN CC(C)N1COc2ccc3c(=O)c(-c4ccccc4F)coc3c2C1 ZINC000057165612 564153358 /nfs/dbraw/zinc/15/33/58/564153358.db2.gz BCOUABXHJBACOS-UHFFFAOYSA-N 0 0 339.366 4.159 50 0 EIAARN CCOc1ccccc1NC(=O)CN[C@@H](C)c1ccccc1Cl ZINC000057315419 564153556 /nfs/dbraw/zinc/15/35/56/564153556.db2.gz MZAFPJZHZDEPCZ-ZDUSSCGKSA-N 0 0 332.831 4.028 50 0 EIAARN O=C(Nc1cccc2cnccc21)c1ccn(-c2cccc(Cl)c2)n1 ZINC000057396431 564153912 /nfs/dbraw/zinc/15/39/12/564153912.db2.gz CAOFBGGLFYSQMS-UHFFFAOYSA-N 0 0 348.793 4.326 50 0 EIAARN O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412297 564154079 /nfs/dbraw/zinc/15/40/79/564154079.db2.gz MAUQYDPFSUKXHP-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN O=C(Nc1cc(F)ccc1F)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412585 564154110 /nfs/dbraw/zinc/15/41/10/564154110.db2.gz BXOUSGCYVFEYDQ-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN COc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 ZINC000670426518 564154259 /nfs/dbraw/zinc/15/42/59/564154259.db2.gz BRTAQUHLOXVJLF-MDZDMXLPSA-N 0 0 337.828 4.070 50 0 EIAARN C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl ZINC000057529598 564154745 /nfs/dbraw/zinc/15/47/45/564154745.db2.gz HLAMDRGKWMQGOB-UGSOOPFHSA-N 0 0 328.843 4.011 50 0 EIAARN CCOc1ccc2nc(NC(=O)C(Cl)(Cl)Cl)sc2c1 ZINC000003102096 564155167 /nfs/dbraw/zinc/15/51/67/564155167.db2.gz SOTZVGXCYCJWCB-UHFFFAOYSA-N 0 0 339.631 4.004 50 0 EIAARN O=C(N[C@H](CCCO)c1ccccc1)c1c(Cl)cccc1Cl ZINC000305148564 564155466 /nfs/dbraw/zinc/15/54/66/564155466.db2.gz OHLHJGCJLHTZLZ-OAHLLOKOSA-N 0 0 338.234 4.237 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)cc1 ZINC000057757080 564155713 /nfs/dbraw/zinc/15/57/13/564155713.db2.gz FVTFTBWXFPAWCK-WJDWOHSUSA-N 0 0 348.324 4.229 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc(Br)c2)cc1C ZINC000003215015 564156046 /nfs/dbraw/zinc/15/60/46/564156046.db2.gz ZPWJJMFNGSWHHY-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CCc1cccc(CC)c1NC(=O)c1c(Cl)nc2sccn21 ZINC000003235923 564156406 /nfs/dbraw/zinc/15/64/06/564156406.db2.gz SNPSOLYTNSOMIR-UHFFFAOYSA-N 0 0 333.844 4.426 50 0 EIAARN O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C/c1cccc(Cl)c1 ZINC000003248351 564156593 /nfs/dbraw/zinc/15/65/93/564156593.db2.gz MBCACCZPLPBASO-RIYZIHGNSA-N 0 0 349.720 4.286 50 0 EIAARN O=C(CSc1ncnc2ccccc21)Nc1ccc(F)cc1Cl ZINC000003263577 564156769 /nfs/dbraw/zinc/15/67/69/564156769.db2.gz GRTLQEGBEQMVFI-UHFFFAOYSA-N 0 0 347.802 4.153 50 0 EIAARN Cc1ccc(CNC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000003279589 564156902 /nfs/dbraw/zinc/15/69/02/564156902.db2.gz QLAYOXFDRQTJSR-UHFFFAOYSA-N 0 0 325.452 4.378 50 0 EIAARN CCOc1ccc([C@H](CC)NC(=O)c2ccccc2-c2ncc[nH]2)cc1 ZINC000670438241 564157481 /nfs/dbraw/zinc/15/74/81/564157481.db2.gz LWKKUWGNJMHIPI-IBGZPJMESA-N 0 0 349.434 4.357 50 0 EIAARN C[C@@H](NC(=O)Cn1cnc2ccccc21)c1ccc(Cl)cc1Cl ZINC000058144722 564157782 /nfs/dbraw/zinc/15/77/82/564157782.db2.gz FJNBLSCYBRAUIU-LLVKDONJSA-N 0 0 348.233 4.221 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000030986856 564158311 /nfs/dbraw/zinc/15/83/11/564158311.db2.gz ASJVLBMXGNBBBI-SWLSCSKDSA-N 0 0 328.378 4.126 50 0 EIAARN C[C@]1(C(=O)OCC(=O)c2ccc3ccccc3c2)CC1(Cl)Cl ZINC000003502004 564158554 /nfs/dbraw/zinc/15/85/54/564158554.db2.gz QAGUSRBIQUJFMG-MRXNPFEDSA-N 0 0 337.202 4.150 50 0 EIAARN Cc1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)s1 ZINC000003511026 564158593 /nfs/dbraw/zinc/15/85/93/564158593.db2.gz OQVHLHXGRTTYLG-UHFFFAOYSA-N 0 0 340.400 4.009 50 0 EIAARN Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000058416428 564159070 /nfs/dbraw/zinc/15/90/70/564159070.db2.gz GKARAZIMGRXAJS-ACCUITESSA-N 0 0 349.478 4.100 50 0 EIAARN Cc1nc(-c2ccncc2)sc1C(=O)NCCC1=CCCCC1 ZINC000031868082 564160091 /nfs/dbraw/zinc/16/00/91/564160091.db2.gz DZQHJPBLHPPROH-UHFFFAOYSA-N 0 0 327.453 4.134 50 0 EIAARN Cc1nc(NC(=O)C(=O)c2ccc(C)cc2)sc1-c1ccccc1 ZINC000031967903 564160278 /nfs/dbraw/zinc/16/02/78/564160278.db2.gz VHZWARQOCWOTCI-UHFFFAOYSA-N 0 0 336.416 4.248 50 0 EIAARN Cn1c(CCc2cccc(NC(=O)c3ccco3)c2)nc2ccccc21 ZINC000015863686 564160479 /nfs/dbraw/zinc/16/04/79/564160479.db2.gz NVZHBPSDADWWPT-UHFFFAOYSA-N 0 0 345.402 4.204 50 0 EIAARN O=C(Cc1ccccc1Cl)Nc1cccc(Oc2cnccn2)c1 ZINC000032029272 564160513 /nfs/dbraw/zinc/16/05/13/564160513.db2.gz MXKOSEAMKLLHIN-UHFFFAOYSA-N 0 0 339.782 4.104 50 0 EIAARN COc1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)cc(OC)c1C ZINC000032038464 564160537 /nfs/dbraw/zinc/16/05/37/564160537.db2.gz QFGLUVMSIQQHEA-SNVBAGLBSA-N 0 0 339.844 4.218 50 0 EIAARN CCCN(CCC)C(=O)c1cc(-c2ccccc2C(F)(F)F)n[nH]1 ZINC000032033071 564160542 /nfs/dbraw/zinc/16/05/42/564160542.db2.gz NWJGOCZYVJLJOK-UHFFFAOYSA-N 0 0 339.361 4.358 50 0 EIAARN CC(=O)c1ccc(NC(=O)Cn2ccc3cc(Cl)ccc32)cc1 ZINC000032070634 564160598 /nfs/dbraw/zinc/16/05/98/564160598.db2.gz KHLUZVGEMCDZCY-UHFFFAOYSA-N 0 0 326.783 4.136 50 0 EIAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1 ZINC000032094240 564160717 /nfs/dbraw/zinc/16/07/17/564160717.db2.gz RJUORLZMBZRKEA-MRXNPFEDSA-N 0 0 346.390 4.030 50 0 EIAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1 ZINC000032094238 564160732 /nfs/dbraw/zinc/16/07/32/564160732.db2.gz RJUORLZMBZRKEA-INIZCTEOSA-N 0 0 346.390 4.030 50 0 EIAARN Clc1cccc(Cl)c1-c1nn2c(nnc2-c2cccnc2)s1 ZINC000032101241 564160813 /nfs/dbraw/zinc/16/08/13/564160813.db2.gz VVLFFHFAAKIVRO-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)C1(C)C ZINC000032282649 564161180 /nfs/dbraw/zinc/16/11/80/564161180.db2.gz COQILXKXMUTOMO-IDHHARJASA-N 0 0 343.467 4.264 50 0 EIAARN O=C(Cc1cn2ccccc2n1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000032380068 564161296 /nfs/dbraw/zinc/16/12/96/564161296.db2.gz ZLYHSARCFXQNAV-QFIPXVFZSA-N 0 0 347.462 4.315 50 0 EIAARN Fc1cc(Br)ccc1Oc1ncnc2sccc21 ZINC000007983920 564161785 /nfs/dbraw/zinc/16/17/85/564161785.db2.gz NUYSWSVBHKBMBE-UHFFFAOYSA-N 0 0 325.162 4.385 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000007985430 564161800 /nfs/dbraw/zinc/16/18/00/564161800.db2.gz VWYBNSBMRHSYKM-UHFFFAOYSA-N 0 0 348.402 4.476 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2)o1)NCCc1ccccc1F ZINC000007987850 564161912 /nfs/dbraw/zinc/16/19/12/564161912.db2.gz LMTAONCKTDFAEE-UHFFFAOYSA-N 0 0 337.394 4.377 50 0 EIAARN Cc1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c(C)s1 ZINC000007988775 564161930 /nfs/dbraw/zinc/16/19/30/564161930.db2.gz JDCVXKHTNSEHOC-UHFFFAOYSA-N 0 0 329.450 4.060 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000263500688 564162276 /nfs/dbraw/zinc/16/22/76/564162276.db2.gz KTDGCVJCJJVZAF-BIMULSAOSA-N 0 0 346.229 4.350 50 0 EIAARN O=C(CSC[C@@H]1CCCCO1)Nc1scnc1-c1ccccc1 ZINC000171062274 564162383 /nfs/dbraw/zinc/16/23/83/564162383.db2.gz OXGKAUWNMUSCNX-AWEZNQCLSA-N 0 0 348.493 4.051 50 0 EIAARN Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1CCC1=CCCCC1 ZINC000008042227 564162397 /nfs/dbraw/zinc/16/23/97/564162397.db2.gz QKSWUXHEBFEXFE-UHFFFAOYSA-N 0 0 343.496 4.147 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000008118015 564162761 /nfs/dbraw/zinc/16/27/61/564162761.db2.gz NRJGUBXNOGSTPT-UHFFFAOYSA-N 0 0 333.391 4.118 50 0 EIAARN O=C(c1ccc(Cl)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008156159 564163196 /nfs/dbraw/zinc/16/31/96/564163196.db2.gz LTLNYGIJNZDMCU-GFCCVEGCSA-N 0 0 349.839 4.150 50 0 EIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000263536951 564163320 /nfs/dbraw/zinc/16/33/20/564163320.db2.gz ZVSPQHSVBITLPQ-LKTVYLICSA-N 0 0 345.336 4.062 50 0 EIAARN CCc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 ZINC000008225702 564163609 /nfs/dbraw/zinc/16/36/09/564163609.db2.gz CVRXGKARKJUBAG-UHFFFAOYSA-N 0 0 336.416 4.370 50 0 EIAARN Cc1cc(C)c(C(=O)CSc2n[nH]c(-c3cccs3)n2)cc1C ZINC000008230590 564163662 /nfs/dbraw/zinc/16/36/62/564163662.db2.gz BHWLKLDQBXJPDP-UHFFFAOYSA-N 0 0 343.477 4.433 50 0 EIAARN CCOc1ccc(OCCSc2n[nH]c(-c3cccs3)n2)cc1 ZINC000008230649 564163684 /nfs/dbraw/zinc/16/36/84/564163684.db2.gz CHPSAMSTWBLANA-UHFFFAOYSA-N 0 0 347.465 4.103 50 0 EIAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000008246661 564163789 /nfs/dbraw/zinc/16/37/89/564163789.db2.gz DKHZVVBNWMHSOC-UHFFFAOYSA-N 0 0 344.386 4.103 50 0 EIAARN COc1ccc(Cl)cc1CSc1nnc(C2CC2)n1C1CC1 ZINC000008257623 564163834 /nfs/dbraw/zinc/16/38/34/564163834.db2.gz WYJAUFRVALPNMA-UHFFFAOYSA-N 0 0 335.860 4.445 50 0 EIAARN Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)c2ccccc2n1 ZINC000008264274 564163869 /nfs/dbraw/zinc/16/38/69/564163869.db2.gz WBVUEWUVNAXYCE-UHFFFAOYSA-N 0 0 347.443 4.425 50 0 EIAARN COc1cc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc(OC)c1 ZINC000008268829 564163915 /nfs/dbraw/zinc/16/39/15/564163915.db2.gz HIRTXHXECNODEN-CYBMUJFWSA-N 0 0 331.437 4.132 50 0 EIAARN C[C@H]1C[C@@H](Sc2ncnc3sc(-c4ccccc4)cc32)C(=O)O1 ZINC000008278527 564163965 /nfs/dbraw/zinc/16/39/65/564163965.db2.gz XSTPNUFRDUMSFH-IINYFYTJSA-N 0 0 342.445 4.154 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1C ZINC000008326306 564164427 /nfs/dbraw/zinc/16/44/27/564164427.db2.gz NXDZMLWPPGVODF-UHFFFAOYSA-N 0 0 342.483 4.123 50 0 EIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccccc1F ZINC000008329127 564164501 /nfs/dbraw/zinc/16/45/01/564164501.db2.gz BKFXRSWLLDVUER-UHFFFAOYSA-N 0 0 333.384 4.194 50 0 EIAARN O=C(CSCCSCC(=O)c1ccccc1)c1ccccc1 ZINC000008337944 564164566 /nfs/dbraw/zinc/16/45/66/564164566.db2.gz DMNWDYNOESVCBP-UHFFFAOYSA-N 0 0 330.474 4.219 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2c(cccc2F)s1 ZINC000008346260 564164693 /nfs/dbraw/zinc/16/46/93/564164693.db2.gz NJEFYBGVASFNRJ-UHFFFAOYSA-N 0 0 338.407 4.494 50 0 EIAARN COc1cc(C(=O)N[C@H](C)C(C)C)ccc1OCc1ccccc1 ZINC000008389661 564164894 /nfs/dbraw/zinc/16/48/94/564164894.db2.gz GZFBWGCATBWIRD-OAHLLOKOSA-N 0 0 327.424 4.049 50 0 EIAARN Cc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C)cc1 ZINC000008395437 564165092 /nfs/dbraw/zinc/16/50/92/564165092.db2.gz TXQIJQLYURNIGO-UHFFFAOYSA-N 0 0 336.420 4.224 50 0 EIAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3c2C1 ZINC000008429208 564165269 /nfs/dbraw/zinc/16/52/69/564165269.db2.gz XHUPXVOUFLVTEN-GFCCVEGCSA-N 0 0 348.402 4.274 50 0 EIAARN c1csc(-c2cc3c(N4CCc5ccccc5C4)nccn3n2)c1 ZINC000067285183 564165541 /nfs/dbraw/zinc/16/55/41/564165541.db2.gz GNDPZPRTNASUKU-UHFFFAOYSA-N 0 0 332.432 4.021 50 0 EIAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2N1CCC(C)CC1 ZINC000008582975 564165815 /nfs/dbraw/zinc/16/58/15/564165815.db2.gz VWURPNXWVGHVKI-UHFFFAOYSA-N 0 0 341.846 4.014 50 0 EIAARN Cc1oc(-c2ccccc2C)nc1CNC(=O)NC1CCCCC1 ZINC000008608294 564166037 /nfs/dbraw/zinc/16/60/37/564166037.db2.gz SQTCOHQSPJQOQZ-UHFFFAOYSA-N 0 0 327.428 4.090 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)no1 ZINC000008612349 564166091 /nfs/dbraw/zinc/16/60/91/564166091.db2.gz QORRTNNTOVDQHP-UHFFFAOYSA-N 0 0 328.755 4.013 50 0 aggregator EIAARN CC(C)c1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1 ZINC000008612360 564166095 /nfs/dbraw/zinc/16/60/95/564166095.db2.gz 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ZINC000245237680 564168797 /nfs/dbraw/zinc/16/87/97/564168797.db2.gz QLLGRFSREQQRPP-OLMNPRSZSA-N 0 0 334.891 4.172 50 0 EIAARN O=C(NC[C@H]1Cc2ccccc21)c1ncoc1-c1ccccc1Cl ZINC000173141836 564168823 /nfs/dbraw/zinc/16/88/23/564168823.db2.gz RLGSOBYHRVJRBO-CYBMUJFWSA-N 0 0 338.794 4.065 50 0 EIAARN CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000009107191 564168924 /nfs/dbraw/zinc/16/89/24/564168924.db2.gz GKWMCVLDHVDLEK-UHFFFAOYSA-N 0 0 342.826 4.282 50 0 EIAARN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)C1CCCC1 ZINC000009107438 564168933 /nfs/dbraw/zinc/16/89/33/564168933.db2.gz DITSQHBNDIGZKF-UHFFFAOYSA-N 0 0 348.446 4.295 50 0 EIAARN O=C(NCc1ccccc1-c1ccc(Cl)cc1)C1CCOCC1 ZINC000069417452 564169291 /nfs/dbraw/zinc/16/92/91/564169291.db2.gz YLFIJHPNCPVFMF-UHFFFAOYSA-N 0 0 329.827 4.050 50 0 EIAARN COc1ccc(S[C@H](C)C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 ZINC000069419793 564169345 /nfs/dbraw/zinc/16/93/45/564169345.db2.gz ARMKEQPNWAZKMS-CQSZACIVSA-N 0 0 347.484 4.209 50 0 EIAARN Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@H]1c1ccccc1 ZINC000069435601 564169447 /nfs/dbraw/zinc/16/94/47/564169447.db2.gz NJAIEXWHKUZQSB-KRWDZBQOSA-N 0 0 336.391 4.149 50 0 EIAARN CN(Cc1ccccc1)C(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000069455499 564169648 /nfs/dbraw/zinc/16/96/48/564169648.db2.gz CHHFZOSLQWDEBG-UHFFFAOYSA-N 0 0 343.854 4.047 50 0 EIAARN CC[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)c1c(C)noc1C ZINC000069491196 564169914 /nfs/dbraw/zinc/16/99/14/564169914.db2.gz LCCGWRPMUJORKK-GFCCVEGCSA-N 0 0 338.810 4.236 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccn2)no1 ZINC000069515468 564170024 /nfs/dbraw/zinc/17/00/24/564170024.db2.gz MBNKGLQSNXDBJS-ZDUSSCGKSA-N 0 0 334.379 4.071 50 0 EIAARN FC(F)(F)Cn1ccnc1CSc1ncc(-c2ccccc2)o1 ZINC000069527941 564170178 /nfs/dbraw/zinc/17/01/78/564170178.db2.gz YQGZUZCJQSGFQP-UHFFFAOYSA-N 0 0 339.342 4.393 50 0 EIAARN CN(Cc1ccccn1)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000069530498 564170213 /nfs/dbraw/zinc/17/02/13/564170213.db2.gz GBZBMAMZYZWGAK-UHFFFAOYSA-N 0 0 336.357 4.037 50 0 EIAARN Cc1cc(Br)cc(C)c1NC(=O)NC1CCSCC1 ZINC000069569246 564170568 /nfs/dbraw/zinc/17/05/68/564170568.db2.gz AKLGHGSEEWQRAR-UHFFFAOYSA-N 0 0 343.290 4.083 50 0 EIAARN CCc1cccc(CC)c1NC(=O)CN(C)[C@H](C)c1cccc(O)c1 ZINC000069589119 564170733 /nfs/dbraw/zinc/17/07/33/564170733.db2.gz GSZLRYFGPPARPH-OAHLLOKOSA-N 0 0 340.467 4.149 50 0 EIAARN C[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccncc2)cs1 ZINC000069618692 564170923 /nfs/dbraw/zinc/17/09/23/564170923.db2.gz GCZQWOUXRFFWAX-CQSZACIVSA-N 0 0 337.448 4.015 50 0 EIAARN CC(C)(C)CC(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 ZINC000069622239 564170987 /nfs/dbraw/zinc/17/09/87/564170987.db2.gz QQHBTSCRTHXUOF-AWEZNQCLSA-N 0 0 335.398 4.114 50 0 EIAARN Cc1occc1CNC(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000069687275 564171436 /nfs/dbraw/zinc/17/14/36/564171436.db2.gz HWQKDAIHCGTNSE-UHFFFAOYSA-N 0 0 342.317 4.159 50 0 EIAARN Cc1csc(C2CCN(C(=O)c3cnc(C(C)(C)C)s3)CC2)n1 ZINC000069698582 564171516 /nfs/dbraw/zinc/17/15/16/564171516.db2.gz HLABALOAHKITBM-UHFFFAOYSA-N 0 0 349.525 4.225 50 0 EIAARN CCN(C(=O)c1cc(C)no1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000069698602 564171530 /nfs/dbraw/zinc/17/15/30/564171530.db2.gz IIIWOHHYNBFMTE-HXUWFJFHSA-N 0 0 349.434 4.247 50 0 EIAARN O[C@H](CSCc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000069738909 564171816 /nfs/dbraw/zinc/17/18/16/564171816.db2.gz DCSPRBXXJJGCHS-OAHLLOKOSA-N 0 0 346.839 4.357 50 0 EIAARN Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)c1ccc(C)nc1 ZINC000069776079 564172141 /nfs/dbraw/zinc/17/21/41/564172141.db2.gz GEYABAVFVSXYOO-UHFFFAOYSA-N 0 0 332.407 4.014 50 0 EIAARN O=[S@](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1F ZINC000069814458 564172360 /nfs/dbraw/zinc/17/23/60/564172360.db2.gz SFFDRJMLXWFBRX-HSZRJFAPSA-N 0 0 333.359 4.069 50 0 EIAARN Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000069849530 564172529 /nfs/dbraw/zinc/17/25/29/564172529.db2.gz PMVKSOOGBZXNIM-OAHLLOKOSA-N 0 0 343.427 4.023 50 0 EIAARN CCOc1ccc(Nc2ccc3nnc(-c4ccccc4C)n3n2)cc1 ZINC000009340691 564172789 /nfs/dbraw/zinc/17/27/89/564172789.db2.gz 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/nfs/dbraw/zinc/17/36/64/564173664.db2.gz QHSRUPDPKSPVEQ-GFCCVEGCSA-N 0 0 332.241 4.409 50 0 EIAARN O=C(Cc1cn2ccccc2n1)N(Cc1ccccc1)c1ccccc1 ZINC000041284552 564173690 /nfs/dbraw/zinc/17/36/90/564173690.db2.gz NGYMAQKDKBBBTF-UHFFFAOYSA-N 0 0 341.414 4.110 50 0 EIAARN O=S(=O)(/C=C\c1ccccc1)N(Cc1ccco1)c1ccccc1 ZINC000041616253 564174148 /nfs/dbraw/zinc/17/41/48/564174148.db2.gz WYQZRKGKAWJYDN-SQFISAMPSA-N 0 0 339.416 4.287 50 0 EIAARN O=C(Nc1cccc(OC(F)F)c1)[C@@H](c1ccccc1)n1cccc1 ZINC000070636928 564174216 /nfs/dbraw/zinc/17/42/16/564174216.db2.gz GWOKJHIWJTZVHS-QGZVFWFLSA-N 0 0 342.345 4.318 50 0 EIAARN C[C@@H]1CN(Cc2cc(-c3cccs3)on2)C[C@H](c2ccccc2)O1 ZINC000070695500 564174319 /nfs/dbraw/zinc/17/43/19/564174319.db2.gz LEVAYHYETPBUAI-RDTXWAMCSA-N 0 0 340.448 4.365 50 0 EIAARN CSc1ccccc1NC(=O)c1cnn(-c2ccccc2F)c1C ZINC000041897937 564174454 /nfs/dbraw/zinc/17/44/54/564174454.db2.gz VTVSCXXBOPYODQ-UHFFFAOYSA-N 0 0 341.411 4.294 50 0 EIAARN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccccc1F ZINC000071326692 564174925 /nfs/dbraw/zinc/17/49/25/564174925.db2.gz JPJOOGZFKZMMAK-UHFFFAOYSA-N 0 0 347.459 4.265 50 0 EIAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCCCC[C@@H]1c1ccncc1 ZINC000071798118 564175400 /nfs/dbraw/zinc/17/54/00/564175400.db2.gz MJWIAZBERXVJPX-OAHLLOKOSA-N 0 0 349.356 4.253 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c2ccc(F)cc2n1 ZINC000071802744 564175516 /nfs/dbraw/zinc/17/55/16/564175516.db2.gz WCVCCXUQBYOIRJ-NSHDSACASA-N 0 0 340.320 4.097 50 0 EIAARN O=C(C1CC(c2ccccc2)C1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000071834649 564175762 /nfs/dbraw/zinc/17/57/62/564175762.db2.gz USXCRHJTGVQJKL-HRTMPFAESA-N 0 0 349.474 4.152 50 0 EIAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@H]1CCOC1 ZINC000071832948 564175768 /nfs/dbraw/zinc/17/57/68/564175768.db2.gz PMNSXNOJHHGMGW-LBPRGKRZSA-N 0 0 340.404 4.064 50 0 EIAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000071844130 564175919 /nfs/dbraw/zinc/17/59/19/564175919.db2.gz LNOXOANGZHSBNQ-AAEUAGOBSA-N 0 0 333.863 4.013 50 0 EIAARN 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/nfs/dbraw/zinc/15/97/32/214159732.db2.gz VDZRBRIBWKHGMO-UHFFFAOYSA-N 0 0 335.363 4.239 50 0 EIAARN Cc1noc([C@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000052993771 214159945 /nfs/dbraw/zinc/15/99/45/214159945.db2.gz QLPWQUWDYKRJDC-JTQLQIEISA-N 0 0 346.818 4.113 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)CSCc2ccccc2)cc1 ZINC000052915628 214155051 /nfs/dbraw/zinc/15/50/51/214155051.db2.gz HWUFGEBUQHEHDW-LJQANCHMSA-N 0 0 341.476 4.292 50 0 EIAARN O=C(CNc1cccc(Cl)c1F)N1CCC[C@H]1c1cccs1 ZINC000052932941 214156275 /nfs/dbraw/zinc/15/62/75/214156275.db2.gz DLKBKXIMLYCBOU-ZDUSSCGKSA-N 0 0 338.835 4.316 50 0 EIAARN Cc1cccc(CSc2ncc(CO)n2Cc2ccccc2F)c1 ZINC000004720289 210257438 /nfs/dbraw/zinc/25/74/38/210257438.db2.gz VXPNJFKRIPTLQV-UHFFFAOYSA-N 0 0 342.439 4.164 50 0 EIAARN CCCn1c(CO)cnc1SCc1ccc(C(F)(F)F)cc1 ZINC000004719910 210257144 /nfs/dbraw/zinc/25/71/44/210257144.db2.gz WQPFWDBBIILRLA-UHFFFAOYSA-N 0 0 330.375 4.097 50 0 EIAARN Cc1ccccc1C1=N/C(=C\c2cccc(Br)c2)C(=O)O1 ZINC000004714047 210256695 /nfs/dbraw/zinc/25/66/95/210256695.db2.gz RJOHMKPSAAIJCX-GDNBJRDFSA-N 0 0 342.192 4.102 50 0 EIAARN CCOC(=O)c1c(CSc2ccccn2)oc2ccc(OC)cc21 ZINC000004709202 210254771 /nfs/dbraw/zinc/25/47/71/210254771.db2.gz DLHMUQDDXGIFDF-UHFFFAOYSA-N 0 0 343.404 4.305 50 0 EIAARN Oc1cccc(CNc2nc(-c3ccncc3)nc3ccccc32)c1 ZINC000054125101 214217751 /nfs/dbraw/zinc/21/77/51/214217751.db2.gz CCQCDYZSPYPWQK-UHFFFAOYSA-N 0 0 328.375 4.010 50 0 EIAARN CCCOc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C ZINC000054363247 214234818 /nfs/dbraw/zinc/23/48/18/214234818.db2.gz NSISGIXLNSDAJA-UHFFFAOYSA-N 0 0 341.517 4.277 50 0 EIAARN O=C(Nc1cccc(CNc2nc3ccccc3o2)c1)c1ccncc1 ZINC000054836914 214256944 /nfs/dbraw/zinc/25/69/44/214256944.db2.gz OIPMWRPRGMHXCT-UHFFFAOYSA-N 0 0 344.374 4.087 50 0 EIAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000004699741 210251408 /nfs/dbraw/zinc/25/14/08/210251408.db2.gz JRTYWEVMJLUMEB-UHFFFAOYSA-N 0 0 345.398 4.284 50 0 EIAARN CCSCc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000055035048 214265744 /nfs/dbraw/zinc/26/57/44/214265744.db2.gz BSLSXOARFCTXAL-KRWDZBQOSA-N 0 0 327.449 4.193 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000004696248 210250899 /nfs/dbraw/zinc/25/08/99/210250899.db2.gz XBGXKUBZOKRSDB-UHFFFAOYSA-N 0 0 344.414 4.211 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)OCc1csc(-c2ccccn2)n1 ZINC000055151041 214279239 /nfs/dbraw/zinc/27/92/39/214279239.db2.gz QSMPKVZCCDMMEV-UHFFFAOYSA-N 0 0 349.415 4.352 50 0 EIAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)c1cc(F)c(F)cc1Cl ZINC000055154284 214280384 /nfs/dbraw/zinc/28/03/84/214280384.db2.gz YREMDHRUPUNEHO-LLVKDONJSA-N 0 0 338.785 4.454 50 0 EIAARN Cc1occc1C(=O)Nc1ccc(C(=O)NC2(C)CCCCC2)cc1 ZINC000055169059 214283114 /nfs/dbraw/zinc/28/31/14/214283114.db2.gz KHPURFCQRBNXFE-UHFFFAOYSA-N 0 0 340.423 4.293 50 0 EIAARN CCCCN(Cc1cccnc1)C(=O)Cc1csc(SCC)n1 ZINC000055369429 214312603 /nfs/dbraw/zinc/31/26/03/214312603.db2.gz BYSYRNYECVIWPH-UHFFFAOYSA-N 0 0 349.525 4.022 50 0 EIAARN CC(C)c1cc(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)no1 ZINC000055393316 214316360 /nfs/dbraw/zinc/31/63/60/214316360.db2.gz PMOYIZKROPPKFK-UHFFFAOYSA-N 0 0 330.472 4.363 50 0 EIAARN Cc1cc(=O)oc2n[nH]c(CSc3cc(C)c(Cl)cc3C)c21 ZINC000004693200 210248968 /nfs/dbraw/zinc/24/89/68/210248968.db2.gz CECPUOYXWSVXNI-UHFFFAOYSA-N 0 0 334.828 4.387 50 0 EIAARN CC(C)(C)C(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12 ZINC000055552681 214329958 /nfs/dbraw/zinc/32/99/58/214329958.db2.gz HOOOHOLDDVKMIV-UHFFFAOYSA-N 0 0 340.467 4.319 50 0 EIAARN Cc1ccc(-c2cccc(CN3CCO[C@H](c4cccnc4)C3)c2)o1 ZINC000097784984 219057136 /nfs/dbraw/zinc/05/71/36/219057136.db2.gz NMUKRAQSOWCZRZ-NRFANRHFSA-N 0 0 334.419 4.224 50 0 EIAARN c1ccc(-c2noc(CSc3nnc(-c4ccccc4)o3)n2)cc1 ZINC000004686512 210247215 /nfs/dbraw/zinc/24/72/15/210247215.db2.gz GHTNGWWLUPFGQK-UHFFFAOYSA-N 0 0 336.376 4.079 50 0 EIAARN Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1Cl ZINC000004680281 210246195 /nfs/dbraw/zinc/24/61/95/210246195.db2.gz JBXXUDJZFURPFK-UHFFFAOYSA-N 0 0 330.815 4.495 50 0 EIAARN c1coc(-c2noc(CNc3ccccc3N3CCCCCC3)n2)c1 ZINC000056164040 214362945 /nfs/dbraw/zinc/36/29/45/214362945.db2.gz JPXIHNSUKQDDDP-UHFFFAOYSA-N 0 0 338.411 4.322 50 0 EIAARN COC(=O)N(C)c1ccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000056449498 214374557 /nfs/dbraw/zinc/37/45/57/214374557.db2.gz DEGGYMYEVUKVGD-HZPDHXFCSA-N 0 0 330.428 4.066 50 0 EIAARN C[C@@H](C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)n1ccnc1 ZINC000056483106 214377473 /nfs/dbraw/zinc/37/74/73/214377473.db2.gz SOJYKHLSICQEDA-NHYWBVRUSA-N 0 0 338.238 4.115 50 0 EIAARN Cc1csc(COc2ccc(C(=O)NCc3cccs3)cc2)n1 ZINC000056907694 214394944 /nfs/dbraw/zinc/39/49/44/214394944.db2.gz ISOFIDBNDUPAOH-UHFFFAOYSA-N 0 0 344.461 4.022 50 0 EIAARN COc1ccccc1NC(=O)C1(c2cc(-c3cccs3)on2)CC1 ZINC000056918938 214395440 /nfs/dbraw/zinc/39/54/40/214395440.db2.gz XMAMFONRZINOHI-UHFFFAOYSA-N 0 0 340.404 4.082 50 0 EIAARN CC(=O)N(c1nc(CN2CCC[C@H](C)C2)cs1)c1ccc(C)cc1 ZINC000049982619 214038198 /nfs/dbraw/zinc/03/81/98/214038198.db2.gz BEVIMMAXNBLRPG-HNNXBMFYSA-N 0 0 343.496 4.368 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000058210592 214505660 /nfs/dbraw/zinc/50/56/60/214505660.db2.gz SKVCUHAJGJIVGK-KRWDZBQOSA-N 0 0 338.455 4.452 50 0 EIAARN CCOC(=O)Nc1ccc(NC(=O)c2sccc2C2CC2)cc1 ZINC000058280646 214526226 /nfs/dbraw/zinc/52/62/26/214526226.db2.gz JSOKGEMLMMNYGU-UHFFFAOYSA-N 0 0 330.409 4.446 50 0 EIAARN COC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004649495 210237098 /nfs/dbraw/zinc/23/70/98/210237098.db2.gz MTAVVMGSJIXDHN-UHFFFAOYSA-N 0 0 328.412 4.020 50 0 EIAARN CC(=O)c1sc(NC(=O)c2cnc(C)s2)nc1-c1ccccc1 ZINC000058329376 214547626 /nfs/dbraw/zinc/54/76/26/214547626.db2.gz ORYMLSKASRDNII-UHFFFAOYSA-N 0 0 343.433 4.030 50 0 EIAARN Cc1c(Cl)cccc1-n1ccnc1SCc1nnc(C2CC2)o1 ZINC000058333174 214551145 /nfs/dbraw/zinc/55/11/45/214551145.db2.gz OKEVZMHUVJPQHW-UHFFFAOYSA-N 0 0 346.843 4.387 50 0 EIAARN CCCCc1[nH]c(SCC(=O)N[C@@H](C)c2ccccc2)nc1C ZINC000004632232 210234889 /nfs/dbraw/zinc/23/48/89/210234889.db2.gz HGXSOOMXYKFNDL-ZDUSSCGKSA-N 0 0 331.485 4.030 50 0 EIAARN CC(C)(C)c1ncc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cn1 ZINC000058412282 214578449 /nfs/dbraw/zinc/57/84/49/214578449.db2.gz RLWVQUWDIPEAJO-UONOGXRCSA-N 0 0 329.831 4.170 50 0 EIAARN Cc1cccc(Nc2ccccc2C(=O)NO[C@@H]2CCCCO2)c1C ZINC000058416003 214579556 /nfs/dbraw/zinc/57/95/56/214579556.db2.gz XIILQQZYRWORIO-LJQANCHMSA-N 0 0 340.423 4.235 50 0 EIAARN CC(C)(C)c1ncc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)s1 ZINC000098055963 219075009 /nfs/dbraw/zinc/07/50/09/219075009.db2.gz BUZFJBVSZWZHCT-WQLSENKSSA-N 0 0 345.855 4.414 50 0 EIAARN CN(CCc1ccccn1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000063682667 214764937 /nfs/dbraw/zinc/76/49/37/214764937.db2.gz GOUJKXDCAFLACZ-UHFFFAOYSA-N 0 0 345.855 4.106 50 0 EIAARN COc1cc(NC(=O)/C(C)=C/c2ccccc2)c(OC)cc1Cl ZINC000004591141 210229356 /nfs/dbraw/zinc/22/93/56/210229356.db2.gz GBECFHTWBALUEL-FMIVXFBMSA-N 0 0 331.799 4.399 50 0 EIAARN CC(=O)Oc1cc2c(cc1C)oc(=O)cc2-c1cc2ccccc2o1 ZINC000004586170 210227901 /nfs/dbraw/zinc/22/79/01/210227901.db2.gz UCZDRXVLIVYSPY-UHFFFAOYSA-N 0 0 334.327 4.440 50 0 biogenic EIAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccccc2Cl)o1 ZINC000049548105 214017704 /nfs/dbraw/zinc/01/77/04/214017704.db2.gz UZVYPWLUGNKPRV-NSHDSACASA-N 0 0 327.771 4.457 50 0 EIAARN CSc1cccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)c1 ZINC000004585594 210227509 /nfs/dbraw/zinc/22/75/09/210227509.db2.gz COMOBSQAKORGDB-BQYQJAHWSA-N 0 0 343.433 4.172 50 0 EIAARN Cc1[nH]c2ccccc2c1-c1csc(-c2cccc(C(N)=O)c2)n1 ZINC000060090971 214628153 /nfs/dbraw/zinc/62/81/53/214628153.db2.gz KGRVCXCJJSKLHQ-UHFFFAOYSA-N 0 0 333.416 4.366 50 0 EIAARN Cc1nn(C)c2c1[C@H](c1c(Cl)cccc1Cl)SCC(=O)N2 ZINC000049545506 214016984 /nfs/dbraw/zinc/01/69/84/214016984.db2.gz VSMAMMDPZUUIME-CYBMUJFWSA-N 0 0 342.251 4.460 50 0 EIAARN CNc1nc2c(s1)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000049546527 214016750 /nfs/dbraw/zinc/01/67/50/214016750.db2.gz ZJJYIVPNFYAKTH-VIFPVBQESA-N 0 0 327.331 4.327 50 0 EIAARN O=C(Nc1ccccn1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000061719518 214674351 /nfs/dbraw/zinc/67/43/51/214674351.db2.gz NKGHPMAOCBBRGV-UHFFFAOYSA-N 0 0 327.387 4.337 50 0 EIAARN COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC ZINC000004547409 210218691 /nfs/dbraw/zinc/21/86/91/210218691.db2.gz KHVGJDSHXSUFAB-UHFFFAOYSA-N 0 0 334.375 4.409 50 0 EIAARN O=C(Nc1c(Cl)cccc1Cl)c1cnc(Cl)nc1Cl ZINC000098177704 219086584 /nfs/dbraw/zinc/08/65/84/219086584.db2.gz ARDYHOMYWMROCB-UHFFFAOYSA-N 0 0 336.993 4.343 50 0 EIAARN CCOC(=O)c1cn(-c2ccccc2C(C)C)c(C)c1C(=O)OCC ZINC000004542466 210217942 /nfs/dbraw/zinc/21/79/42/210217942.db2.gz AOIZVPNOPKBKCH-UHFFFAOYSA-N 0 0 343.423 4.263 50 0 EIAARN O=C(CCc1ccccc1Br)Nc1ccc(F)cc1F ZINC000004542939 210217997 /nfs/dbraw/zinc/21/79/97/210217997.db2.gz XBNGAOYZKNXRLW-UHFFFAOYSA-N 0 0 340.167 4.299 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000098212248 219087306 /nfs/dbraw/zinc/08/73/06/219087306.db2.gz VFMUKYDJVWWHEI-KRWDZBQOSA-N 0 0 333.391 4.022 50 0 EIAARN CSc1ncc(Cl)c(C(O)(c2ccccc2)c2ccccc2)n1 ZINC000004529661 210215549 /nfs/dbraw/zinc/21/55/49/210215549.db2.gz IHAPAYWXDBTOMX-UHFFFAOYSA-N 0 0 342.851 4.136 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)C[C@@H](C)c1ccccc1 ZINC000004516131 210211071 /nfs/dbraw/zinc/21/10/71/210211071.db2.gz YSQDXCVKOOKKKM-CQSZACIVSA-N 0 0 335.403 4.396 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2cccc(SC)c2)cc1C ZINC000004517512 210210795 /nfs/dbraw/zinc/21/07/95/210210795.db2.gz ALCXIPUCSTUFNI-UHFFFAOYSA-N 0 0 335.450 4.207 50 0 EIAARN c1coc(-c2nnc3sc(COc4cccc5ccccc54)nn32)c1 ZINC000004511812 210210097 /nfs/dbraw/zinc/21/00/97/210210097.db2.gz KCABQNYRUIWVGG-UHFFFAOYSA-N 0 0 348.387 4.178 50 0 EIAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC1CCCCC1 ZINC000004513113 210210195 /nfs/dbraw/zinc/21/01/95/210210195.db2.gz OTOUPRKFQIKNJY-UHFFFAOYSA-N 0 0 347.846 4.319 50 0 EIAARN Cc1cc(NC(=O)Cc2cccs2)ccc1NC(=O)c1ccco1 ZINC000004512100 210209820 /nfs/dbraw/zinc/20/98/20/210209820.db2.gz SVOOELAIRGLMTD-UHFFFAOYSA-N 0 0 340.404 4.083 50 0 EIAARN CCc1ncsc1NC(=O)c1cnn(-c2cc(C)ccc2C)c1C ZINC000157180990 529764585 /nfs/dbraw/zinc/76/45/85/529764585.db2.gz ZDAHHEBTAZPAPQ-UHFFFAOYSA-N 0 0 340.452 4.069 50 0 EIAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2c(c1)OCCO2 ZINC000004504461 210207608 /nfs/dbraw/zinc/20/76/08/210207608.db2.gz KKTCXUAQKSTMFO-UHFFFAOYSA-N 0 0 327.424 4.003 50 0 EIAARN COc1ccc(CSc2nncn2-c2ccccc2C)cc1F ZINC000004501076 210205055 /nfs/dbraw/zinc/20/50/55/210205055.db2.gz FVUDCXGNRQUVJH-UHFFFAOYSA-N 0 0 329.400 4.016 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)o1 ZINC000004496584 210203224 /nfs/dbraw/zinc/20/32/24/210203224.db2.gz GMFIWJGUCXKGTP-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1F)CC(=O)N2 ZINC000004488937 210202569 /nfs/dbraw/zinc/20/25/69/210202569.db2.gz QSRDZEHTBMTLKG-CYBMUJFWSA-N 0 0 329.371 4.097 50 0 EIAARN Cc1c(C)c2ccc(NC(=O)c3cc4ccccc4o3)cc2[nH]c1=O ZINC000049472370 214010262 /nfs/dbraw/zinc/01/02/62/214010262.db2.gz DRRMYPXYIPKHIS-UHFFFAOYSA-N 0 0 332.359 4.143 50 0 EIAARN C[C@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000100580394 219101730 /nfs/dbraw/zinc/10/17/30/219101730.db2.gz KBSWKXKTLUQVDA-GDIGMMSISA-N 0 0 335.403 4.405 50 0 EIAARN CC(C)c1ccc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 ZINC000004469030 210194653 /nfs/dbraw/zinc/19/46/53/210194653.db2.gz FZFOKSDKAPRZND-QFIPXVFZSA-N 0 0 348.446 4.094 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc(C)cc1C ZINC000004444813 210194073 /nfs/dbraw/zinc/19/40/73/210194073.db2.gz HNZCEANBBSKACT-UHFFFAOYSA-N 0 0 349.386 4.307 50 0 EIAARN FC(F)(F)c1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 ZINC000100703845 219105118 /nfs/dbraw/zinc/10/51/18/219105118.db2.gz QLBIJKGRRFAPIG-MRXNPFEDSA-N 0 0 342.324 4.353 50 0 EIAARN N=c1sc(C(=O)c2ccccc2)c2scc(-c3ccccc3)n12 ZINC000004428612 210192564 /nfs/dbraw/zinc/19/25/64/210192564.db2.gz WQPAZFJKVCTUCT-UHFFFAOYSA-N 0 0 336.441 4.440 50 0 EIAARN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCC1 ZINC000004433441 210192622 /nfs/dbraw/zinc/19/26/22/210192622.db2.gz JIEHNYYDLYTJTA-UHFFFAOYSA-N 0 0 347.846 4.162 50 0 EIAARN C[C@@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004422833 210190708 /nfs/dbraw/zinc/19/07/08/210190708.db2.gz DWQQRTJQHUWCPX-QGZVFWFLSA-N 0 0 331.415 4.041 50 0 EIAARN Fc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100819376 219107997 /nfs/dbraw/zinc/10/79/97/219107997.db2.gz ODAYXBPFOWIGTE-INIZCTEOSA-N 0 0 326.762 4.127 50 0 EIAARN CC(=O)/N=c1\scc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000100840855 219108706 /nfs/dbraw/zinc/10/87/06/219108706.db2.gz YBPNADQFOKHYCU-ZPHPHTNESA-N 0 0 328.824 4.306 50 0 EIAARN CC[C@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O ZINC000004393234 210187973 /nfs/dbraw/zinc/18/79/73/210187973.db2.gz GYMQWQBBGPNHMF-CQSZACIVSA-N 0 0 343.224 4.017 50 0 EIAARN O=C(OCc1ccc(SC(F)F)cc1)c1n[nH]c2ccccc21 ZINC000064673454 214799870 /nfs/dbraw/zinc/79/98/70/214799870.db2.gz GCJDKXJWWJUADI-UHFFFAOYSA-N 0 0 334.347 4.235 50 0 EIAARN CCCOC(=O)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000064656195 214796903 /nfs/dbraw/zinc/79/69/03/214796903.db2.gz BBDBTCHUYYVANQ-UHFFFAOYSA-N 0 0 341.794 4.211 50 0 EIAARN Cc1ccc(C)c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C4CCCC4)[C@@H]3C2=O)c1 ZINC000004380401 210183926 /nfs/dbraw/zinc/18/39/26/210183926.db2.gz FTDFAQZXFNEJEE-JSJNYSNDSA-N 0 0 333.431 4.095 50 0 EIAARN Cc1ccc(CSc2ncc(CO)n2Cc2ccccc2F)cc1 ZINC000004381602 210183941 /nfs/dbraw/zinc/18/39/41/210183941.db2.gz QUFFAHKCFZOZSP-UHFFFAOYSA-N 0 0 342.439 4.164 50 0 EIAARN Cc1ccc(-c2nn(C)cc2CCC(=O)NC2CCCCCC2)cc1 ZINC000064861045 214810607 /nfs/dbraw/zinc/81/06/07/214810607.db2.gz KCMLQPSHWPVIOH-UHFFFAOYSA-N 0 0 339.483 4.167 50 0 EIAARN COc1ccc([C@@H]2OC[C@@]3(COC(C)=O)[C@H](C)[C@@H]2C(C)=C[C@@H]3C)cc1 ZINC000101138527 219117167 /nfs/dbraw/zinc/11/71/67/219117167.db2.gz WSCCZHJZVDZUSC-AUNNOQBQSA-N 0 0 344.451 4.164 50 0 biogenic EIAARN Clc1cccc([C@H]2CC(c3ccccc3)=Nc3nnnn32)c1Cl ZINC000101151715 219117972 /nfs/dbraw/zinc/11/79/72/219117972.db2.gz GMVMEMYRTOJXAZ-CQSZACIVSA-N 0 0 344.205 4.036 50 0 EIAARN Cc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1C ZINC000004357741 210178955 /nfs/dbraw/zinc/17/89/55/210178955.db2.gz LXKYEOBUQVIVMW-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN Cc1ccc(C(=O)C2=NNC[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000004343149 210176105 /nfs/dbraw/zinc/17/61/05/210176105.db2.gz LPKNEVAXONUSJZ-CQSZACIVSA-N 0 0 333.218 4.228 50 0 EIAARN COc1ccc2oc(-c3noc(Cc4cccs4)n3)c(C)c2c1 ZINC000065097290 214827939 /nfs/dbraw/zinc/82/79/39/214827939.db2.gz MBDRGGLIOBSTOM-UHFFFAOYSA-N 0 0 326.377 4.452 50 0 EIAARN COC(=O)c1cc(OCc2ccccc2Cl)c2cc(F)ccc2n1 ZINC000065033334 214823560 /nfs/dbraw/zinc/82/35/60/214823560.db2.gz CVMBOLCMCBCRSF-UHFFFAOYSA-N 0 0 345.757 4.393 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2nc3cc(C)cc(C)c3s2)c1 ZINC000004330929 210173753 /nfs/dbraw/zinc/17/37/53/210173753.db2.gz DRLJPOHRHCHTDS-UHFFFAOYSA-N 0 0 342.420 4.183 50 0 EIAARN Cc1c2nc(NC(=O)COc3ccccc3)sc2ccc1Cl ZINC000004331479 210173186 /nfs/dbraw/zinc/17/31/86/210173186.db2.gz OZRATYWMRMZBTR-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN CCc1nc2cc(-c3noc(-c4cc(F)ccc4F)n3)ccc2o1 ZINC000065149769 214833528 /nfs/dbraw/zinc/83/35/28/214833528.db2.gz HBCNTINLZBCKSO-UHFFFAOYSA-N 0 0 327.290 4.385 50 0 EIAARN O=C(Nc1ccsc1-c1nnc(C2CC2)o1)c1cc(F)ccc1F ZINC000065218631 214845131 /nfs/dbraw/zinc/84/51/31/214845131.db2.gz MJTWNQGZGIMMJU-UHFFFAOYSA-N 0 0 347.346 4.206 50 0 EIAARN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000048356005 213930368 /nfs/dbraw/zinc/93/03/68/213930368.db2.gz JLUXVFQZFBKPIS-MRVPVSSYSA-N 0 0 347.818 4.030 50 0 EIAARN CCCn1cnc2ccc(-c3noc(Cc4ccc(OC)cc4)n3)cc21 ZINC000065240666 214849741 /nfs/dbraw/zinc/84/97/41/214849741.db2.gz GEHXLQNZEUGNHU-UHFFFAOYSA-N 0 0 348.406 4.096 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1 ZINC000004303396 210165281 /nfs/dbraw/zinc/16/52/81/210165281.db2.gz PSLIQOKIORPEJT-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN O=C(c1ccco1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304737 210165155 /nfs/dbraw/zinc/16/51/55/210165155.db2.gz AXAQIGROEOPFBM-UHFFFAOYSA-N 0 0 335.388 4.131 50 0 EIAARN COc1cc([C@@H](C)NC(=O)c2ccc(C)o2)ccc1OC1CCCC1 ZINC000048339904 213925312 /nfs/dbraw/zinc/92/53/12/213925312.db2.gz JPLMTYWNEWIJHO-CQSZACIVSA-N 0 0 343.423 4.409 50 0 EIAARN CCn1c(SCc2cn3cc(C)ccc3n2)nnc1-c1ccccc1 ZINC000004277925 210159871 /nfs/dbraw/zinc/15/98/71/210159871.db2.gz AXNFMPSLUDJWOX-UHFFFAOYSA-N 0 0 349.463 4.213 50 0 EIAARN CCN(C[C@@H]1CCCO1)c1ncnc2sc(-c3ccccc3)cc21 ZINC000048290349 213913264 /nfs/dbraw/zinc/91/32/64/213913264.db2.gz OGIUWRPPHOORMV-HNNXBMFYSA-N 0 0 339.464 4.364 50 0 EIAARN CCCCc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(C)no2)s1 ZINC000048261300 213904569 /nfs/dbraw/zinc/90/45/69/213904569.db2.gz MQYXFPNQSVQTLW-ZDUSSCGKSA-N 0 0 333.457 4.068 50 0 EIAARN COc1ccc(C(C)C)cc1[C@H]1CC(=O)Nc2c1cnn2CC(C)C ZINC000065371874 214878333 /nfs/dbraw/zinc/87/83/33/214878333.db2.gz PTXPHZLEVQUIBE-OAHLLOKOSA-N 0 0 341.455 4.145 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc2ccccc2[nH]1 ZINC000048241467 213901934 /nfs/dbraw/zinc/90/19/34/213901934.db2.gz ILEKUIBTTSLJFK-UHFFFAOYSA-N 0 0 330.347 4.003 50 0 EIAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(Cl)s1 ZINC000004242438 210150180 /nfs/dbraw/zinc/15/01/80/210150180.db2.gz HUAJNJKTZKDNDT-UHFFFAOYSA-N 0 0 327.192 4.060 50 0 EIAARN Cc1nc2ccccc2c(SCc2nnc(-c3cccs3)o2)n1 ZINC000004240487 210149584 /nfs/dbraw/zinc/14/95/84/210149584.db2.gz RCJBDNUNFGDUCD-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004225255 210146562 /nfs/dbraw/zinc/14/65/62/210146562.db2.gz KBCCYZKNDDAUCD-KRWDZBQOSA-N 0 0 333.435 4.133 50 0 EIAARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1ccc(C)cc1 ZINC000004205856 210145472 /nfs/dbraw/zinc/14/54/72/210145472.db2.gz VPJCJWLJAFUSEX-SIKLNZKXSA-N 0 0 348.446 4.264 50 0 EIAARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@@H]1c1ccc(C)cc1 ZINC000004205905 210144856 /nfs/dbraw/zinc/14/48/56/210144856.db2.gz NAFRQUSHHAHPHK-GCJKJVERSA-N 0 0 348.446 4.264 50 0 EIAARN O=C1N(c2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1(F)F ZINC000004183296 210141073 /nfs/dbraw/zinc/14/10/73/210141073.db2.gz VAXZEGQTSSDXBB-ZDUSSCGKSA-N 0 0 327.252 4.429 50 0 EIAARN CCC[C@H]1CCCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1 ZINC000065479144 214927083 /nfs/dbraw/zinc/92/70/83/214927083.db2.gz QRXZAZVFTLOAKB-INIZCTEOSA-N 0 0 325.456 4.289 50 0 EIAARN C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000065491118 214930609 /nfs/dbraw/zinc/93/06/09/214930609.db2.gz IGLCUIUJSQUBEK-HIFRSBDPSA-N 0 0 339.391 4.109 50 0 EIAARN O=C(CCCC(=O)NCCC1=CCCCC1)NCCC1=CCCCC1 ZINC000004141388 210131443 /nfs/dbraw/zinc/13/14/43/210131443.db2.gz DOLMFZRMGYJWOA-UHFFFAOYSA-N 0 0 346.515 4.170 50 0 EIAARN CN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC1=S ZINC000004141559 210130269 /nfs/dbraw/zinc/13/02/69/210130269.db2.gz ISKAUZXMBMCTFI-UVTDQMKNSA-N 0 0 346.496 4.086 50 0 EIAARN COCCn1c(SCCC(C)C)nnc1-c1c[nH]c2ccccc21 ZINC000004138641 210130307 /nfs/dbraw/zinc/13/03/07/210130307.db2.gz PRKIVRZLNMLHNU-UHFFFAOYSA-N 0 0 344.484 4.211 50 0 EIAARN C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1cccnc1 ZINC000065529178 214947293 /nfs/dbraw/zinc/94/72/93/214947293.db2.gz GNCIDJLAWUQLBD-KRWDZBQOSA-N 0 0 346.430 4.065 50 0 EIAARN Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1 ZINC000004135704 210128736 /nfs/dbraw/zinc/12/87/36/210128736.db2.gz IFAWIELOCTZGNZ-UHFFFAOYSA-N 0 0 327.438 4.275 50 0 EIAARN Cc1cc2cc(CNC(=O)c3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000004138071 210128808 /nfs/dbraw/zinc/12/88/08/210128808.db2.gz YZUVRGNBOAJHFZ-UHFFFAOYSA-N 0 0 332.325 4.425 50 0 EIAARN CCn1c(=O)c2ccccc2nc1S[C@H](C)c1cccc(F)c1 ZINC000065542505 214954696 /nfs/dbraw/zinc/95/46/96/214954696.db2.gz GBFWVXAHJMMVSX-GFCCVEGCSA-N 0 0 328.412 4.409 50 0 EIAARN Cc1ncsc1C(=O)Nc1c(-c2cccs2)nc2ccccn21 ZINC000065589741 214969338 /nfs/dbraw/zinc/96/93/38/214969338.db2.gz OZBWTHMYFMLFTO-UHFFFAOYSA-N 0 0 340.433 4.080 50 0 EIAARN O=C(c1ccccc1F)N1CCN=C1SCc1ccccc1Cl ZINC000004120272 210125166 /nfs/dbraw/zinc/12/51/66/210125166.db2.gz QUJGTZFBTNQQSQ-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2C)cc1C ZINC000004120004 210124860 /nfs/dbraw/zinc/12/48/60/210124860.db2.gz JRPIJWHEMZSVBO-UHFFFAOYSA-N 0 0 338.476 4.357 50 0 EIAARN O=C(c1cccc(F)c1)N1CCN=C1SCc1ccccc1Cl ZINC000004120273 210124531 /nfs/dbraw/zinc/12/45/31/210124531.db2.gz MMPNQVYYADHNIJ-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN O=C(Cc1noc2ccccc12)Nc1ccccc1OC1CCCC1 ZINC000046666289 213805504 /nfs/dbraw/zinc/80/55/04/213805504.db2.gz ZRIMHRJQBBDXMO-UHFFFAOYSA-N 0 0 336.391 4.330 50 0 EIAARN Cc1cc(C)cc(N(C)C(=O)Cc2csc(-c3cccnc3)n2)c1 ZINC000065607635 214977294 /nfs/dbraw/zinc/97/72/94/214977294.db2.gz UHOFXJDDGQEPHB-UHFFFAOYSA-N 0 0 337.448 4.027 50 0 EIAARN O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)C1CCCCC1 ZINC000004107369 210122212 /nfs/dbraw/zinc/12/22/12/210122212.db2.gz SXHGZODTZKJJSW-UHFFFAOYSA-N 0 0 325.412 4.134 50 0 aggregator EIAARN O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 ZINC000004110160 210121975 /nfs/dbraw/zinc/12/19/75/210121975.db2.gz FYXFAIPUVOQFAX-INIZCTEOSA-N 0 0 337.366 4.480 50 0 EIAARN Cc1cc2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3c2cc1C ZINC000004103671 210120754 /nfs/dbraw/zinc/12/07/54/210120754.db2.gz AACFKTSHNALBGW-ODLFYWEKSA-N 0 0 348.471 4.197 50 0 EIAARN Cc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1 ZINC000004088325 210117727 /nfs/dbraw/zinc/11/77/27/210117727.db2.gz WQDZEPBKNCZFOJ-UHFFFAOYSA-N 0 0 325.418 4.467 50 0 EIAARN O=C(/C=C/c1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 ZINC000004088259 210116859 /nfs/dbraw/zinc/11/68/59/210116859.db2.gz ZZCACAVNKMAIEU-ZHACJKMWSA-N 0 0 334.400 4.354 50 0 EIAARN COCc1ccccc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000046176778 213789308 /nfs/dbraw/zinc/78/93/08/213789308.db2.gz AKGGHXQZQIZGGU-INIZCTEOSA-N 0 0 347.867 4.453 50 0 EIAARN Cc1cc(CS(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)no1 ZINC000046108554 213783929 /nfs/dbraw/zinc/78/39/29/213783929.db2.gz IJMPYRIYNFZQNN-UHFFFAOYSA-N 0 0 335.469 4.012 50 0 EIAARN O=C(Nc1nc(-c2ccncc2)cs1)c1ccc2c(c1)CCCC2 ZINC000004059544 210110725 /nfs/dbraw/zinc/11/07/25/210110725.db2.gz RCXWEEQINPOWDA-UHFFFAOYSA-N 0 0 335.432 4.336 50 0 EIAARN CCn1cc(SCC(=O)Nc2cccc(OC)c2)c2ccccc21 ZINC000004060560 210110524 /nfs/dbraw/zinc/11/05/24/210110524.db2.gz ZTLBYPIQTCVZJJ-UHFFFAOYSA-N 0 0 340.448 4.401 50 0 EIAARN CC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000004070023 210112245 /nfs/dbraw/zinc/11/22/45/210112245.db2.gz OBVPYRYYPRREEI-UHFFFAOYSA-N 0 0 340.379 4.404 50 0 EIAARN Cc1cc2cc(CNC(=O)c3ccc(OC(C)C)cc3)ccc2n1C ZINC000004061487 210109826 /nfs/dbraw/zinc/10/98/26/210109826.db2.gz ITFUIHIBRHDIOP-UHFFFAOYSA-N 0 0 336.435 4.204 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000046018281 213774066 /nfs/dbraw/zinc/77/40/66/213774066.db2.gz VKSHVRYDYGHBMZ-GOSISDBHSA-N 0 0 347.455 4.277 50 0 EIAARN CC[C@H](C)NC(=O)CSc1c2ccccc2nc2c1CCCC2 ZINC000004038919 210106214 /nfs/dbraw/zinc/10/62/14/210106214.db2.gz AIDBRCVGTTYMAG-ZDUSSCGKSA-N 0 0 328.481 4.120 50 0 EIAARN O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccc(Cl)c1 ZINC000004033023 210105212 /nfs/dbraw/zinc/10/52/12/210105212.db2.gz WYLXRKPIQGGZGB-UHFFFAOYSA-N 0 0 348.793 4.302 50 0 EIAARN Clc1cccc2sc(N3CCN(c4ccccc4)CC3)nc21 ZINC000004034488 210104865 /nfs/dbraw/zinc/10/48/65/210104865.db2.gz XFUSOUZKMFKPKM-UHFFFAOYSA-N 0 0 329.856 4.276 50 0 EIAARN CCCCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000003912438 210092991 /nfs/dbraw/zinc/09/29/91/210092991.db2.gz QXAOLUADHAFHBG-UHFFFAOYSA-N 0 0 335.860 4.401 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccco2)on1 ZINC000003908424 210091464 /nfs/dbraw/zinc/09/14/64/210091464.db2.gz QFFKETXJWFDHKS-UHFFFAOYSA-N 0 0 338.241 4.086 50 0 EIAARN Cc1c2cccc(F)c2oc1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000045761748 213754032 /nfs/dbraw/zinc/75/40/32/213754032.db2.gz ZXOMUQVDBVOMQZ-UHFFFAOYSA-N 0 0 335.338 4.318 50 0 EIAARN Cc1cc(C)nc(SCCCCSc2nc(C)cc(C)n2)n1 ZINC000003634292 210069521 /nfs/dbraw/zinc/06/95/21/210069521.db2.gz ZDTGTZLJMLASKC-UHFFFAOYSA-N 0 0 334.514 4.165 50 0 EIAARN CCOC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1Cl ZINC000003623263 210068468 /nfs/dbraw/zinc/06/84/68/210068468.db2.gz UMPIHWXZSMBGPZ-KRWDZBQOSA-N 0 0 345.826 4.073 50 0 EIAARN CC(=O)c1cccc(NC(=O)COc2c(Cl)cccc2Cl)c1 ZINC000003611447 210066662 /nfs/dbraw/zinc/06/66/62/210066662.db2.gz RXUKRVLJTANOEV-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN CCOC(=O)C[C@H](NC(=O)c1cccc(C)c1)c1ccccc1Cl ZINC000003622648 210067469 /nfs/dbraw/zinc/06/74/69/210067469.db2.gz CFAYWWVIQWWBHW-KRWDZBQOSA-N 0 0 345.826 4.073 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(OC)c1 ZINC000003615175 210066118 /nfs/dbraw/zinc/06/61/18/210066118.db2.gz FPOBTPVAYQVWCV-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN COc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1OC ZINC000003565556 210056375 /nfs/dbraw/zinc/05/63/75/210056375.db2.gz PPHKDOVERHYAPA-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN CC[C@H](C)n1nccc1NC(=O)c1sc2nc(C)nc(C)c2c1C ZINC000066661660 215065024 /nfs/dbraw/zinc/06/50/24/215065024.db2.gz FZHVMUJXFJPJBH-VIFPVBQESA-N 0 0 343.456 4.036 50 0 EIAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)c1ccccc1 ZINC000003544397 210049698 /nfs/dbraw/zinc/04/96/98/210049698.db2.gz UXDPYIBAMOATFZ-UHFFFAOYSA-N 0 0 338.359 4.009 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 ZINC000003560964 210054723 /nfs/dbraw/zinc/05/47/23/210054723.db2.gz MSLDZLNDRDCRJS-UHFFFAOYSA-N 0 0 334.297 4.248 50 0 EIAARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccco3)C2)cc1 ZINC000102581943 219211323 /nfs/dbraw/zinc/21/13/23/219211323.db2.gz YCFGNBLDKQAEFH-IFXJQAMLSA-N 0 0 346.390 4.245 50 0 EIAARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(F)c2)cc1 ZINC000102592622 219213150 /nfs/dbraw/zinc/21/31/50/219213150.db2.gz XHEKTXVBXVZYAX-GGPHIMKMSA-N 0 0 339.410 4.385 50 0 EIAARN O=C(c1ccccc1)c1nc2ccccc2c(Cc2ccncc2)n1 ZINC000102595873 219213407 /nfs/dbraw/zinc/21/34/07/219213407.db2.gz ALQWBURVHCAWIH-XMHGGMMESA-N 0 0 325.371 4.287 50 0 EIAARN CSCCCNC(=S)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000003429051 210037791 /nfs/dbraw/zinc/03/77/91/210037791.db2.gz RWJCEKBUGXSQNN-UHFFFAOYSA-N 0 0 328.506 4.297 50 0 EIAARN O=C(COC(=O)c1ccccc1C(F)(F)F)c1c[nH]c2ccccc21 ZINC000003433137 210037704 /nfs/dbraw/zinc/03/77/04/210037704.db2.gz LNYAIAUNOJRBKM-UHFFFAOYSA-N 0 0 347.292 4.226 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SC2CCCCC2)c1C ZINC000003440900 210040205 /nfs/dbraw/zinc/04/02/05/210040205.db2.gz USBNGFLZTLZBGJ-ZDUSSCGKSA-N 0 0 337.485 4.445 50 0 EIAARN CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000102663449 219220192 /nfs/dbraw/zinc/22/01/92/219220192.db2.gz KFEYCAWZKFNMCH-OAHLLOKOSA-N 0 0 344.415 4.201 50 0 EIAARN CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000102664275 219220473 /nfs/dbraw/zinc/22/04/73/219220473.db2.gz LIQGIGDGCZWTFC-MRXNPFEDSA-N 0 0 340.452 4.370 50 0 EIAARN CN(C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccco1 ZINC000003410847 210030988 /nfs/dbraw/zinc/03/09/88/210030988.db2.gz ZBEHYVVZNMJJGV-GFCCVEGCSA-N 0 0 348.855 4.180 50 0 EIAARN Cc1cc(C(=O)CSc2nncs2)c(C)n1Cc1cccs1 ZINC000003413044 210030820 /nfs/dbraw/zinc/03/08/20/210030820.db2.gz ZXGBFPVGQQCPRT-UHFFFAOYSA-N 0 0 349.506 4.041 50 0 EIAARN O=C(Oc1cccc(Br)c1)c1ccc(OC(F)F)cc1 ZINC000003378125 210022237 /nfs/dbraw/zinc/02/22/37/210022237.db2.gz DWEMWHIALNEAGF-UHFFFAOYSA-N 0 0 343.123 4.270 50 0 EIAARN CCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000003376572 210021534 /nfs/dbraw/zinc/02/15/34/210021534.db2.gz HDSOYSZFZWYHLO-LBPRGKRZSA-N 0 0 331.799 4.086 50 0 EIAARN O=C(COC(=O)c1ccccc1F)c1ccc(Cl)cc1Cl ZINC000003367226 210018501 /nfs/dbraw/zinc/01/85/01/210018501.db2.gz JXKOWVVHDHWNEF-UHFFFAOYSA-N 0 0 327.138 4.172 50 0 EIAARN CCCCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1OC ZINC000003345269 210015089 /nfs/dbraw/zinc/01/50/89/210015089.db2.gz YEVLGPWZJCGWBB-UHFFFAOYSA-N 0 0 327.424 4.113 50 0 EIAARN CCOc1ccc(CN(C)C(=O)Cc2coc3cc(C)ccc23)cc1 ZINC000003348721 210014704 /nfs/dbraw/zinc/01/47/04/210014704.db2.gz ZKJYYQXKZFHTKI-UHFFFAOYSA-N 0 0 337.419 4.341 50 0 EIAARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000003344251 210013644 /nfs/dbraw/zinc/01/36/44/210013644.db2.gz CYOJLQAMZMCNBD-GFCCVEGCSA-N 0 0 348.418 4.391 50 0 EIAARN Cc1cc(C)cc(NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000003327819 210008514 /nfs/dbraw/zinc/00/85/14/210008514.db2.gz OEVJIUBBMSTQKJ-UHFFFAOYSA-N 0 0 336.479 4.197 50 0 EIAARN COCCN(Cc1ccccc1)C(=S)Nc1ccc(C)c(C)c1 ZINC000003327020 210008162 /nfs/dbraw/zinc/00/81/62/210008162.db2.gz CQRDPPXBYJRPIE-UHFFFAOYSA-N 0 0 328.481 4.149 50 0 EIAARN CCOc1ccc(C2=N/C(=C/c3cccc(Cl)c3)C(=O)O2)cc1 ZINC000003322669 210007332 /nfs/dbraw/zinc/00/73/32/210007332.db2.gz OGDWYVKRUCMQOP-LFIBNONCSA-N 0 0 327.767 4.083 50 0 EIAARN O=C(CSc1ccccc1Cl)NC(=O)c1ccccc1Cl ZINC000003338583 210012489 /nfs/dbraw/zinc/01/24/89/210012489.db2.gz CJLUDJKDKAKERQ-UHFFFAOYSA-N 0 0 340.231 4.042 50 0 EIAARN Cc1nn(-c2ccccc2)nc1C(=O)OCc1cccc2ccccc21 ZINC000003339959 210011713 /nfs/dbraw/zinc/01/17/13/210011713.db2.gz ARKORSOQIUDTKJ-UHFFFAOYSA-N 0 0 343.386 4.086 50 0 EIAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1 ZINC000003334541 210010756 /nfs/dbraw/zinc/01/07/56/210010756.db2.gz UCIBMSAANIUDJP-MRXNPFEDSA-N 0 0 330.225 4.257 50 0 EIAARN c1cncc(-c2nc3sc4c(c3c(N3CCCC3)n2)CCCC4)c1 ZINC000003329845 210008855 /nfs/dbraw/zinc/00/88/55/210008855.db2.gz DYKHLHDZAYUVII-UHFFFAOYSA-N 0 0 336.464 4.232 50 0 EIAARN Cc1ccc(C)c(N(C(=O)c2cc(-c3cccnc3)on2)C(C)C)c1 ZINC000102840147 219234399 /nfs/dbraw/zinc/23/43/99/219234399.db2.gz RWQCKAADVPOPJF-UHFFFAOYSA-N 0 0 335.407 4.409 50 0 EIAARN CCN(CC)c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000003318784 210005861 /nfs/dbraw/zinc/00/58/61/210005861.db2.gz PEHMDOZNTBXYTB-UHFFFAOYSA-N 0 0 332.831 4.204 50 0 EIAARN COc1cccc(/C=C/C(=O)OCc2cccc(Cl)c2)c1OC ZINC000003319651 210005617 /nfs/dbraw/zinc/00/56/17/210005617.db2.gz GDWLZQNAIJDKBU-MDZDMXLPSA-N 0 0 332.783 4.114 50 0 EIAARN CP(=O)(OCCOc1ccccc1)OCCOc1ccccc1 ZINC000003310503 210003677 /nfs/dbraw/zinc/00/36/77/210003677.db2.gz KBIVRDXXIOFACV-UHFFFAOYSA-N 0 0 336.324 4.001 50 0 EIAARN COc1cccc(/C=C/C(=O)Oc2ccc3ccccc3c2)c1OC ZINC000003288793 209998252 /nfs/dbraw/zinc/99/82/52/209998252.db2.gz OPFINQCAZCBFBA-ACCUITESSA-N 0 0 334.371 4.476 50 0 EIAARN Cn1c(SCc2ncc(-c3cccs3)o2)nnc1-c1ccco1 ZINC000067428228 215143708 /nfs/dbraw/zinc/14/37/08/215143708.db2.gz ABCZBKOSQARDFD-UHFFFAOYSA-N 0 0 344.421 4.084 50 0 EIAARN O=C(OCc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000003233178 209984027 /nfs/dbraw/zinc/98/40/27/209984027.db2.gz IARQLOXPRKFDSB-UHFFFAOYSA-N 0 0 327.124 4.084 50 0 EIAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1Cn1cncn1 ZINC000067588461 215166190 /nfs/dbraw/zinc/16/61/90/215166190.db2.gz UEFMGJOVDMGERX-UHFFFAOYSA-N 0 0 332.363 4.082 50 0 EIAARN O=c1c2ccccc2nc(-c2cccnc2)n1-c1ccc(Cl)cc1 ZINC000003073199 209960277 /nfs/dbraw/zinc/96/02/77/209960277.db2.gz VWFQBLKDSYGODR-UHFFFAOYSA-N 0 0 333.778 4.101 50 0 EIAARN c1cn(-c2ccc3c[nH]nc3c2)c(-c2ccc([C@@H]3CCCO3)s2)n1 ZINC000067678944 215182256 /nfs/dbraw/zinc/18/22/56/215182256.db2.gz ZZMCOQFOCLXHHM-HNNXBMFYSA-N 0 0 336.420 4.329 50 0 EIAARN COc1cccc2c(C)cc(N3Cc4cnc(C(C)(C)C)nc4C3)nc12 ZINC000067655026 215175433 /nfs/dbraw/zinc/17/54/33/215175433.db2.gz QRUHLNVFLLANNF-UHFFFAOYSA-N 0 0 348.450 4.160 50 0 EIAARN O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000003000067 209953150 /nfs/dbraw/zinc/95/31/50/209953150.db2.gz JLCMPWFOVQNUOP-UHFFFAOYSA-N 0 0 337.611 4.415 50 0 EIAARN CCOc1ccccc1OCCCCOc1ccc(C(=O)OC)cc1 ZINC000002985055 209949511 /nfs/dbraw/zinc/94/95/11/209949511.db2.gz LRABHULJZYFOBJ-UHFFFAOYSA-N 0 0 344.407 4.110 50 0 EIAARN CC(C)Cc1ncc2c(n1)CN(c1nc(-c3ccccc3)cs1)C2 ZINC000067757175 215204974 /nfs/dbraw/zinc/20/49/74/215204974.db2.gz OVHMBQHGULSYIJ-UHFFFAOYSA-N 0 0 336.464 4.319 50 0 EIAARN Cc1n[nH]c(C)c1CCn1cnc(-c2ccccc2)c1-c1ccco1 ZINC000067771274 215208086 /nfs/dbraw/zinc/20/80/86/215208086.db2.gz GLONYJXIPWBXHU-UHFFFAOYSA-N 0 0 332.407 4.393 50 0 EIAARN Cc1cc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc(C)c1Cl ZINC000002951498 209945378 /nfs/dbraw/zinc/94/53/78/209945378.db2.gz ZWLNAWMDKOUQPL-UHFFFAOYSA-N 0 0 347.886 4.277 50 0 EIAARN COc1ccc(F)c(-c2nc(Cn3ccnc3C(C)C)c(C)o2)c1 ZINC000067833452 215224561 /nfs/dbraw/zinc/22/45/61/215224561.db2.gz WWMYZNHARGNALK-UHFFFAOYSA-N 0 0 329.375 4.166 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/nfs/dbraw/zinc/85/77/24/209857724.db2.gz SPSVLKFEDWDEHI-PIGZYNQJSA-N 0 0 342.464 4.126 50 0 EIAARN O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(C2CCCCC2)cc1 ZINC000002474660 209855443 /nfs/dbraw/zinc/85/54/43/209855443.db2.gz HNQXMVIOIUZZEU-QFIPXVFZSA-N 0 0 349.430 4.147 50 0 EIAARN Cc1ccc(C)c(CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 ZINC000002427651 209849146 /nfs/dbraw/zinc/84/91/46/209849146.db2.gz OYYIYJQQPULNTB-UHFFFAOYSA-N 0 0 344.871 4.221 50 0 EIAARN COc1ccc(Nc2cc(C)nc3c(-c4ccccc4)cnn32)cc1 ZINC000002429762 209848940 /nfs/dbraw/zinc/84/89/40/209848940.db2.gz GASCFUAEAFLYDB-UHFFFAOYSA-N 0 0 330.391 4.457 50 0 EIAARN O=C(Cc1cccs1)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000068563825 215319073 /nfs/dbraw/zinc/31/90/73/215319073.db2.gz TYGSUBDQNIQJEQ-QGZVFWFLSA-N 0 0 337.448 4.052 50 0 EIAARN O=C(c1ccccc1Cl)c1ccccc1I ZINC000002392535 209846912 /nfs/dbraw/zinc/84/69/12/209846912.db2.gz ZSYPPOBHGIGJOD-UHFFFAOYSA-N 0 0 342.563 4.176 50 0 EIAARN FC(F)(F)c1cc(I)cc(C(F)(F)F)c1 ZINC000002168461 209826611 /nfs/dbraw/zinc/82/66/11/209826611.db2.gz VDPIZIZDKPFXLI-UHFFFAOYSA-N 0 0 340.004 4.329 50 0 EIAARN Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c2n[nH]cc21 ZINC000069046470 215355764 /nfs/dbraw/zinc/35/57/64/215355764.db2.gz CDECAKKJKJNOBU-JQWIXIFHSA-N 0 0 325.334 4.179 50 0 EIAARN CCCCCCc1cc(C(=O)Cc2csc(C)n2)c(O)cc1O ZINC000002090834 209819422 /nfs/dbraw/zinc/81/94/22/209819422.db2.gz WXOSGIWLDYRECI-UHFFFAOYSA-N 0 0 333.453 4.411 50 0 biogenic EIAARN Cc1csc(-c2ccc(C(=O)N3CCC[C@H]3c3ccccn3)cc2)n1 ZINC000069325601 215378271 /nfs/dbraw/zinc/37/82/71/215378271.db2.gz BKSWJNAUUPTOIH-SFHVURJKSA-N 0 0 349.459 4.491 50 0 EIAARN O=C(CSCc1cccnc1)N(Cc1ccco1)c1ccccc1 ZINC000069349012 215383127 /nfs/dbraw/zinc/38/31/27/215383127.db2.gz DVJNOEOHLCKHOV-UHFFFAOYSA-N 0 0 338.432 4.141 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1ccc(C(C)C)cc1 ZINC000069350447 215384906 /nfs/dbraw/zinc/38/49/06/215384906.db2.gz WJOSKSJDZPBZIL-CQSZACIVSA-N 0 0 331.485 4.280 50 0 EIAARN O=c1nc(SCc2ccc(F)cc2)[nH]c2sc3c(c21)CCCC3 ZINC000001972986 209809663 /nfs/dbraw/zinc/80/96/63/209809663.db2.gz YZYZKTLMFSQHKS-UHFFFAOYSA-N 0 0 346.452 4.295 50 0 EIAARN COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@H](C)C2 ZINC000001929355 209806473 /nfs/dbraw/zinc/80/64/73/209806473.db2.gz CGEMMMSXDPUUCC-NSHDSACASA-N 0 0 335.469 4.178 50 0 EIAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000001914183 209805082 /nfs/dbraw/zinc/80/50/82/209805082.db2.gz KBTBJPOIIVTWOW-AWNIVKPZSA-N 0 0 338.407 4.086 50 0 EIAARN CCN(Cc1ccccc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000040526948 213336024 /nfs/dbraw/zinc/33/60/24/213336024.db2.gz DAONAGFCIPSIBY-UHFFFAOYSA-N 0 0 337.423 4.089 50 0 EIAARN C[C@H](N[C@@H](c1cccnc1)C1CCCCC1)c1nc(C2CC2)no1 ZINC000069416034 215403389 /nfs/dbraw/zinc/40/33/89/215403389.db2.gz ZRGIKZAPHZJEGZ-SUMWQHHRSA-N 0 0 326.444 4.314 50 0 EIAARN O=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000069418959 215408270 /nfs/dbraw/zinc/40/82/70/215408270.db2.gz JIHFSJKHERLFCG-KRWDZBQOSA-N 0 0 327.403 4.070 50 0 EIAARN CC(C)(C)c1cc(=O)n2c3ccccc3n(Cc3ccccc3F)c2n1 ZINC000040484733 213315658 /nfs/dbraw/zinc/31/56/58/213315658.db2.gz GNEMPKNEBPYHGM-UHFFFAOYSA-N 0 0 349.409 4.134 50 0 EIAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccsc1 ZINC000069456556 215426727 /nfs/dbraw/zinc/42/67/27/215426727.db2.gz RLMYETOOFXRFDJ-UHFFFAOYSA-N 0 0 327.434 4.250 50 0 EIAARN CC(C)[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000040466370 213309650 /nfs/dbraw/zinc/30/96/50/213309650.db2.gz IPFLOEVCTXTNNP-GOSISDBHSA-N 0 0 325.387 4.363 50 0 EIAARN CC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2C)cc1 ZINC000040227539 213284019 /nfs/dbraw/zinc/28/40/19/213284019.db2.gz XVBDREINAYSWTK-UHFFFAOYSA-N 0 0 343.390 4.070 50 0 EIAARN O=C(CCCc1cccs1)NCc1cccc(C(F)(F)F)c1 ZINC000040160277 213277390 /nfs/dbraw/zinc/27/73/90/213277390.db2.gz YTEQRXOAYVFEBM-UHFFFAOYSA-N 0 0 327.371 4.406 50 0 EIAARN O=C(CCCc1cccs1)Nc1ccnn1Cc1cccs1 ZINC000040160118 213277100 /nfs/dbraw/zinc/27/71/00/213277100.db2.gz BJUZBRCBLYXUNJ-UHFFFAOYSA-N 0 0 331.466 4.016 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000040160053 213276585 /nfs/dbraw/zinc/27/65/85/213276585.db2.gz UCQUJBCMVQNMEX-NSHDSACASA-N 0 0 337.826 4.131 50 0 EIAARN COC(=O)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000001503420 209755624 /nfs/dbraw/zinc/75/56/24/209755624.db2.gz WTPJKKKBUZGFNA-UHFFFAOYSA-N 0 0 331.677 4.333 50 0 EIAARN c1cc(-c2nc(CSC3=Nc4ccccc4CS3)no2)co1 ZINC000069538941 215468093 /nfs/dbraw/zinc/46/80/93/215468093.db2.gz XJDUFVYFFSNASP-UHFFFAOYSA-N 0 0 329.406 4.497 50 0 EIAARN Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccncc2)ccc1C(C)C ZINC000040141043 213272277 /nfs/dbraw/zinc/27/22/77/213272277.db2.gz VMEPJMSFBRYCRM-HZPDHXFCSA-N 0 0 326.440 4.158 50 0 EIAARN CCOc1ccc(Oc2ccc(NC(=O)CCCOC)cc2)cc1 ZINC000040123142 213270043 /nfs/dbraw/zinc/27/00/43/213270043.db2.gz SXKSQMHNZDSWLV-UHFFFAOYSA-N 0 0 329.396 4.243 50 0 EIAARN Cc1c(C(=O)N(C)Cc2ccc(Cl)s2)oc2c1C(=O)CCC2 ZINC000040130735 213270121 /nfs/dbraw/zinc/27/01/21/213270121.db2.gz MBYZFVBFXJTWLQ-UHFFFAOYSA-N 0 0 337.828 4.094 50 0 EIAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCCC3)c12 ZINC000040128527 213270236 /nfs/dbraw/zinc/27/02/36/213270236.db2.gz VDCUPEHTXTUBNY-UHFFFAOYSA-N 0 0 340.471 4.045 50 0 EIAARN O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1 ZINC000040106716 213265658 /nfs/dbraw/zinc/26/56/58/213265658.db2.gz CETHJWAHQPBRNC-UHFFFAOYSA-N 0 0 348.377 4.008 50 0 EIAARN Cc1noc(C)c1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000040117432 213268887 /nfs/dbraw/zinc/26/88/87/213268887.db2.gz GZMRUQKGJBIENQ-IBGZPJMESA-N 0 0 330.403 4.021 50 0 EIAARN CCN(CC)c1ccc(CNC(=O)c2occc2-c2ccccc2)cn1 ZINC000040118593 213267863 /nfs/dbraw/zinc/26/78/63/213267863.db2.gz DWBFFKNMFOGLEJ-UHFFFAOYSA-N 0 0 349.434 4.118 50 0 EIAARN C[C@@H](CNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 ZINC000040096758 213263575 /nfs/dbraw/zinc/26/35/75/213263575.db2.gz SIEPRURZIJKCAP-QMMMGPOBSA-N 0 0 344.283 4.307 50 0 EIAARN O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCCCCC1 ZINC000040086471 213260389 /nfs/dbraw/zinc/26/03/89/213260389.db2.gz IKAIAYGZWSLQHD-UHFFFAOYSA-N 0 0 337.467 4.293 50 0 EIAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@H]2CCCC[C@H]21 ZINC000040082836 213259558 /nfs/dbraw/zinc/25/95/58/213259558.db2.gz ADZLSLJKLLVYKX-RDTXWAMCSA-N 0 0 327.403 4.011 50 0 EIAARN Cc1nc(/C=C/C(=O)Nc2ccc3oc(C4CC4)nc3c2)cs1 ZINC000040081608 213259439 /nfs/dbraw/zinc/25/94/39/213259439.db2.gz SITPMKONKGLPEE-FNORWQNLSA-N 0 0 325.393 4.122 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 ZINC000040081570 213259200 /nfs/dbraw/zinc/25/92/00/213259200.db2.gz ZQYIHYQAZLQBTQ-NYYWCZLTSA-N 0 0 334.375 4.366 50 0 EIAARN CCCCc1noc(CN2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000040049858 213254891 /nfs/dbraw/zinc/25/48/91/213254891.db2.gz JWUGFZNIWQMSQY-UHFFFAOYSA-N 0 0 338.455 4.273 50 0 EIAARN Cc1ccsc1CNC(=O)CCSc1nc2ccccc2s1 ZINC000040071042 213257832 /nfs/dbraw/zinc/25/78/32/213257832.db2.gz LMOZIOZLAWWXBN-UHFFFAOYSA-N 0 0 348.518 4.465 50 0 EIAARN Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000040072752 213257469 /nfs/dbraw/zinc/25/74/69/213257469.db2.gz QWXQSERQBRSHJL-UONOGXRCSA-N 0 0 330.350 4.007 50 0 EIAARN Cc1ccc(OCCC(=O)Nc2ccccc2OC(F)F)cc1C ZINC000040060220 213256232 /nfs/dbraw/zinc/25/62/32/213256232.db2.gz SHHKDFCBZYMPMI-UHFFFAOYSA-N 0 0 335.350 4.312 50 0 EIAARN C[C@H](NC(=O)NCc1nc2ccccc2s1)c1ccc(F)cc1F ZINC000040024117 213252843 /nfs/dbraw/zinc/25/28/43/213252843.db2.gz ILFXLDAUTGKUGJ-JTQLQIEISA-N 0 0 347.390 4.135 50 0 EIAARN CC[C@@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000040005374 213249476 /nfs/dbraw/zinc/24/94/76/213249476.db2.gz CKEADNPENAMQRH-OAQYLSRUSA-N 0 0 347.462 4.084 50 0 EIAARN CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000039972121 213247378 /nfs/dbraw/zinc/24/73/78/213247378.db2.gz ICKJEGYLXBSWDP-JTQLQIEISA-N 0 0 334.778 4.121 50 0 EIAARN CCOc1ccc(NC(=O)Cc2coc3ccc(OC)cc23)cc1 ZINC000039882396 213243771 /nfs/dbraw/zinc/24/37/71/213243771.db2.gz IDKJSKRBJGKVFE-UHFFFAOYSA-N 0 0 325.364 4.021 50 0 EIAARN CCCc1sc(C(=O)N2CCCC[C@H]2C)cc1Br ZINC000001459102 209750616 /nfs/dbraw/zinc/75/06/16/209750616.db2.gz UJNDTYFECRJERL-SNVBAGLBSA-N 0 0 330.291 4.478 50 0 EIAARN S=C(NCc1ccccc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000001425407 209746835 /nfs/dbraw/zinc/74/68/35/209746835.db2.gz FITXJXUKNVMLNP-UHFFFAOYSA-N 0 0 349.503 4.211 50 0 EIAARN O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCc1cccnc1 ZINC000039438297 213235778 /nfs/dbraw/zinc/23/57/78/213235778.db2.gz SXRIHUKPZZKZHL-IBGZPJMESA-N 0 0 334.394 4.059 50 0 EIAARN Cc1ccccc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C ZINC000001410554 209742099 /nfs/dbraw/zinc/74/20/99/209742099.db2.gz GJZKRUYOVHZDSN-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN O=CNc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 ZINC000001405089 209741611 /nfs/dbraw/zinc/74/16/11/209741611.db2.gz GRQPMAYHKOONDO-UHFFFAOYSA-N 0 0 346.415 4.231 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cn2ccnc2)cc1 ZINC000038834733 213228649 /nfs/dbraw/zinc/22/86/49/213228649.db2.gz DJVFHAUSQRUJIU-UHFFFAOYSA-N 0 0 345.324 4.203 50 0 EIAARN Nc1ccc(-c2nc3cc4nc(-c5ccc(N)cc5)oc4cc3o2)cc1 ZINC000038846191 213228294 /nfs/dbraw/zinc/22/82/94/213228294.db2.gz NLSDWNRBMSRTQT-UHFFFAOYSA-N 0 0 342.358 4.467 50 0 EIAARN CCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1 ZINC000001261095 209721346 /nfs/dbraw/zinc/72/13/46/209721346.db2.gz XETLAZDQHVNYKT-UHFFFAOYSA-N 0 0 340.408 4.248 50 0 EIAARN Cc1cc(OCC(=O)Nc2ccccc2)c(C)cc1Br ZINC000001065969 209707199 /nfs/dbraw/zinc/70/71/99/209707199.db2.gz MDJSLEJDPQBHCZ-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN O=C(Nc1cccc(Cn2cccn2)c1)c1cc2c(s1)CCCC2 ZINC000001053855 209704230 /nfs/dbraw/zinc/70/42/30/209704230.db2.gz RHCWLYDYCDESNI-UHFFFAOYSA-N 0 0 337.448 4.124 50 0 EIAARN C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(Cl)cc1 ZINC000000802735 209688203 /nfs/dbraw/zinc/68/82/03/209688203.db2.gz IHDPGXBFEUZCIQ-LBPRGKRZSA-N 0 0 339.778 4.316 50 0 EIAARN c1cn(Cc2ccccc2)c(SCc2nnc(-c3ccccc3)o2)n1 ZINC000000614212 209678237 /nfs/dbraw/zinc/67/82/37/209678237.db2.gz BOAATBNFDPLCCW-UHFFFAOYSA-N 0 0 348.431 4.274 50 0 EIAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cccs1 ZINC000000611670 209677440 /nfs/dbraw/zinc/67/74/40/209677440.db2.gz LKANVMMIVMKKDG-UHFFFAOYSA-N 0 0 341.763 4.221 50 0 EIAARN CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1 ZINC000000611927 209677277 /nfs/dbraw/zinc/67/72/77/209677277.db2.gz ZUZZUDPJSVITLP-UHFFFAOYSA-N 0 0 332.400 4.120 50 0 EIAARN CC(C)(C)OC(=O)n1ccc2cc(Br)nc(Cl)c21 ZINC000038534093 213213965 /nfs/dbraw/zinc/21/39/65/213213965.db2.gz ZTHJWXDIQUDVFC-UHFFFAOYSA-N 0 0 331.597 4.235 50 0 EIAARN CCc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000000580712 209671843 /nfs/dbraw/zinc/67/18/43/209671843.db2.gz NJEZIROSMGVIGL-UHFFFAOYSA-N 0 0 348.240 4.337 50 0 EIAARN Cc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1C ZINC000000573713 209670744 /nfs/dbraw/zinc/67/07/44/209670744.db2.gz NKNFTOJMLBJZOT-UHFFFAOYSA-N 0 0 346.430 4.490 50 0 EIAARN COc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000000574429 209670159 /nfs/dbraw/zinc/67/01/59/209670159.db2.gz FUUPHAPZBZNIBL-UHFFFAOYSA-N 0 0 333.387 4.380 50 0 EIAARN O=C(CSCc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000000565874 209665372 /nfs/dbraw/zinc/66/53/72/209665372.db2.gz KKWSMSBRJWEUDS-UHFFFAOYSA-N 0 0 339.504 4.401 50 0 EIAARN CCC[C@H]1c2ccccc2CCN1C(=O)CCc1c(C)noc1C ZINC000069737832 215552440 /nfs/dbraw/zinc/55/24/40/215552440.db2.gz IZQJSDAYZHJVCP-IBGZPJMESA-N 0 0 326.440 4.150 50 0 EIAARN CC[C@H](C)Nc1nc(SC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000000535011 209654517 /nfs/dbraw/zinc/65/45/17/209654517.db2.gz WJLDJLSRJYNFSG-VIFPVBQESA-N 0 0 337.514 4.475 50 0 EIAARN O=C(NCCc1ccc(O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000038031924 213194563 /nfs/dbraw/zinc/19/45/63/213194563.db2.gz BEFYAOOCXIWBKW-UHFFFAOYSA-N 0 0 325.195 4.063 50 0 EIAARN Cc1oc2c(ccc3c2OCCO3)c(=O)c1-c1ccc(Cl)cc1 ZINC000000517568 209643190 /nfs/dbraw/zinc/64/31/90/209643190.db2.gz KKVPNFHWESZJMO-UHFFFAOYSA-N 0 0 328.751 4.193 50 0 biogenic EIAARN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1OCC ZINC000000505326 209639850 /nfs/dbraw/zinc/63/98/50/209639850.db2.gz NRMCIOQJRMCQHL-UHFFFAOYSA-N 0 0 333.815 4.067 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COc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000000473852 209624236 /nfs/dbraw/zinc/62/42/36/209624236.db2.gz LILAESSILLTAGJ-UHFFFAOYSA-N 0 0 334.466 4.005 50 0 EIAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)cc1F ZINC000000475815 209625795 /nfs/dbraw/zinc/62/57/95/209625795.db2.gz SCBRSZILLDINDD-FPYGCLRLSA-N 0 0 338.151 4.379 50 0 EIAARN CC1(C)C[C@H](NC(=O)C[C@@H](c2ccco2)c2ccc(F)cc2)CCO1 ZINC000000472379 209623610 /nfs/dbraw/zinc/62/36/10/209623610.db2.gz ASBIGRMSMVGJFG-IAGOWNOFSA-N 0 0 345.414 4.015 50 0 EIAARN O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000000472677 209623614 /nfs/dbraw/zinc/62/36/14/209623614.db2.gz NENBBJMKGNIMAB-UHFFFAOYSA-N 0 0 345.402 4.261 50 0 EIAARN COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000000460786 209615451 /nfs/dbraw/zinc/61/54/51/209615451.db2.gz CGOOKUDEQSWKAU-OAQYLSRUSA-N 0 0 346.382 4.476 50 0 EIAARN O=C(Cc1cccc(F)c1)NCC(c1ccccc1)c1ccccc1 ZINC000036764539 213117132 /nfs/dbraw/zinc/11/71/32/213117132.db2.gz WHTLHIOEAPAEQE-UHFFFAOYSA-N 0 0 333.406 4.317 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YSMMDKUOOJTKRW-UHFFFAOYSA-N 0 0 337.375 4.053 50 0 EIAARN CCc1cccc2c(C3=CCN(C(=O)NC4CCCC4)CC3)c[nH]c21 ZINC000031044003 212722002 /nfs/dbraw/zinc/72/20/02/212722002.db2.gz OKCHXLBXZUANBT-UHFFFAOYSA-N 0 0 337.467 4.472 50 0 EIAARN COc1ccc2nc(NC(=O)c3ccc(-c4ccco4)o3)sc2c1 ZINC000072259980 216085112 /nfs/dbraw/zinc/08/51/12/216085112.db2.gz HPTAXPGMXNHBCW-UHFFFAOYSA-N 0 0 340.360 4.410 50 0 EIAARN C[C@@H](NC(=O)c1cc(C2CC2)on1)c1cc(Cl)ccc1Cl ZINC000072274694 216098661 /nfs/dbraw/zinc/09/86/61/216098661.db2.gz VWVROVOYDDJQFN-MRVPVSSYSA-N 0 0 325.195 4.350 50 0 EIAARN CCCc1noc(CCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000030800043 212710096 /nfs/dbraw/zinc/71/00/96/212710096.db2.gz GFCFCXOJGQSOBT-UHFFFAOYSA-N 0 0 347.418 4.165 50 0 EIAARN Cc1csc([C@H]2CCCCN2C(=O)CCOc2ccccc2F)n1 ZINC000072273732 216096913 /nfs/dbraw/zinc/09/69/13/216096913.db2.gz GBQSTICEFVCLHZ-OAHLLOKOSA-N 0 0 348.443 4.113 50 0 EIAARN Cc1ccc(C)c(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000072276850 216103437 /nfs/dbraw/zinc/10/34/37/216103437.db2.gz CCDKLFDIMHRTNH-KRWDZBQOSA-N 0 0 336.357 4.135 50 0 EIAARN CCCN(C(=O)c1ccccn1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000072277507 216104559 /nfs/dbraw/zinc/10/45/59/216104559.db2.gz KNZGWYRVOCALJY-HXUWFJFHSA-N 0 0 349.409 4.258 50 0 EIAARN Cc1nnc(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)s1 ZINC000000385410 209563269 /nfs/dbraw/zinc/56/32/69/209563269.db2.gz ADOLUNOBQPIGLM-LLVKDONJSA-N 0 0 341.411 4.395 50 0 EIAARN O=C(Cc1ccccc1)NCCc1ccc(OCc2ccccc2)cc1 ZINC000000384403 209562015 /nfs/dbraw/zinc/56/20/15/209562015.db2.gz QPCPBWHLPKMDQG-UHFFFAOYSA-N 0 0 345.442 4.167 50 0 EIAARN COc1ccc2c(C)cc(SCC(=O)Nc3ccccc3)nc2c1 ZINC000000381380 209561397 /nfs/dbraw/zinc/56/13/97/209561397.db2.gz XWZDZPUHBXIYGW-UHFFFAOYSA-N 0 0 338.432 4.283 50 0 EIAARN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C)C ZINC000000372383 209557553 /nfs/dbraw/zinc/55/75/53/209557553.db2.gz HYPLTPUQBDHASB-UHFFFAOYSA-N 0 0 331.437 4.413 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000000359409 209550305 /nfs/dbraw/zinc/55/03/05/209550305.db2.gz KFAFOQPKASJZAX-MDZDMXLPSA-N 0 0 338.388 4.245 50 0 EIAARN Cc1nc(NC(=O)c2cccc(OC(C)C)c2)ccc1Br ZINC000000359980 209551320 /nfs/dbraw/zinc/55/13/20/209551320.db2.gz CJGSMZHOPRQKDA-UHFFFAOYSA-N 0 0 349.228 4.192 50 0 EIAARN O=S(=O)(c1ccc(Cl)nc1)N(c1ccccc1)c1ccccc1 ZINC000000347053 209544440 /nfs/dbraw/zinc/54/44/40/209544440.db2.gz NZNZMXHMWDGJAE-UHFFFAOYSA-N 0 0 344.823 4.262 50 0 EIAARN CCOC(=O)[C@@H]1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1 ZINC000000339664 209542131 /nfs/dbraw/zinc/54/21/31/209542131.db2.gz VKBOGXJZEZFNTB-MRXNPFEDSA-N 0 0 349.430 4.415 50 0 EIAARN Cc1cc(Cc2cc3sc(N)nc3c(C)c2)cc2sc(N)nc21 ZINC000000333239 209540639 /nfs/dbraw/zinc/54/06/39/209540639.db2.gz GETOMLPMWJCTPS-UHFFFAOYSA-N 0 0 340.477 4.278 50 0 EIAARN COc1ccc2c(c1)c(C(=O)CSc1ccccc1)c(C)n2C ZINC000000314060 209531824 /nfs/dbraw/zinc/53/18/24/209531824.db2.gz RUYJGQYYWHXUAC-UHFFFAOYSA-N 0 0 325.433 4.470 50 0 EIAARN CCc1c(C)sc(NC(=O)c2ccccc2Cl)c1C(=O)OC ZINC000000311563 209530191 /nfs/dbraw/zinc/53/01/91/209530191.db2.gz NROSUHKRBPSKKD-UHFFFAOYSA-N 0 0 337.828 4.311 50 0 EIAARN Cc1ccc(-c2noc(C3CCN(C(=O)c4ccccc4)CC3)n2)cc1 ZINC000000324505 209537773 /nfs/dbraw/zinc/53/77/73/209537773.db2.gz ANAIZWFNCPYWBP-UHFFFAOYSA-N 0 0 347.418 4.065 50 0 EIAARN Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccc3C)n2)c1 ZINC000000325139 209537521 /nfs/dbraw/zinc/53/75/21/209537521.db2.gz QWHYKURNBPHBKE-SFHVURJKSA-N 0 0 347.418 4.331 50 0 EIAARN COc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1F ZINC000000307229 209528021 /nfs/dbraw/zinc/52/80/21/209528021.db2.gz KXFBGXIMFCIXJE-UHFFFAOYSA-N 0 0 345.439 4.185 50 0 EIAARN O=c1oc2ccccc2cc1-c1ccc(I)cc1 ZINC000000282396 209517894 /nfs/dbraw/zinc/51/78/94/209517894.db2.gz SECODLMNIMINDN-UHFFFAOYSA-N 0 0 348.139 4.065 50 0 EIAARN C[C@@H](Cc1ccccc1F)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072291658 216126227 /nfs/dbraw/zinc/12/62/27/216126227.db2.gz HOFPJNAFQMAWES-XJKSGUPXSA-N 0 0 332.444 4.215 50 0 EIAARN CC(C)c1csc([C@H]2CCCN(C(=O)CCc3ccccn3)C2)n1 ZINC000072297216 216134702 /nfs/dbraw/zinc/13/47/02/216134702.db2.gz BKKSTTAYJZSMCF-HNNXBMFYSA-N 0 0 343.496 4.000 50 0 EIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C(C)C)cc2)c(C)n1C ZINC000000253974 209505852 /nfs/dbraw/zinc/50/58/52/209505852.db2.gz RBPRIBKBEAXPIJ-UHFFFAOYSA-N 0 0 342.439 4.194 50 0 EIAARN O=C(Oc1ccc2sc(=O)oc2c1)c1cccc(C(F)(F)F)c1 ZINC000000264858 209511242 /nfs/dbraw/zinc/51/12/42/209511242.db2.gz ZZPKWPGXBHKBQD-UHFFFAOYSA-N 0 0 340.278 4.093 50 0 EIAARN O=C(C1CCC(c2ccccc2)CC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072299569 216138100 /nfs/dbraw/zinc/13/81/00/216138100.db2.gz QLVWPBNPHOULNV-ACBHZAAOSA-N 0 0 337.467 4.090 50 0 EIAARN O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NCc1ccccn1 ZINC000029517053 212671205 /nfs/dbraw/zinc/67/12/05/212671205.db2.gz GAENIIRTKJTBRM-PKNBQFBNSA-N 0 0 338.407 4.279 50 0 EIAARN CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 ZINC000000250155 209503992 /nfs/dbraw/zinc/50/39/92/209503992.db2.gz MDJJZAXKYICMIN-LLVKDONJSA-N 0 0 331.437 4.118 50 0 EIAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000248919 209503799 /nfs/dbraw/zinc/50/37/99/209503799.db2.gz IBOZNUFEDZNYGD-UHFFFAOYSA-N 0 0 341.835 4.478 50 0 EIAARN C[C@H](Sc1ccccc1)C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000029351282 212663499 /nfs/dbraw/zinc/66/34/99/212663499.db2.gz NNFQORPCKKJMPR-NSHDSACASA-N 0 0 329.450 4.258 50 0 EIAARN CCc1ccc(-c2n[nH]cc2C(=O)NCc2cccc(Cl)c2)cc1 ZINC000072329168 216154014 /nfs/dbraw/zinc/15/40/14/216154014.db2.gz QEWXDUZPCBUWIU-UHFFFAOYSA-N 0 0 339.826 4.223 50 0 EIAARN Cc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(F)c(Cl)c2)cc1 ZINC000072328937 216154187 /nfs/dbraw/zinc/15/41/87/216154187.db2.gz XVHCZXCGUBTZJY-UHFFFAOYSA-N 0 0 343.789 4.108 50 0 EIAARN Cn1ccc2c1cccc2NC(=O)Cn1ccc2c1cccc2Cl ZINC000072324882 216150916 /nfs/dbraw/zinc/15/09/16/216150916.db2.gz HEIHJEXAXFZUFF-UHFFFAOYSA-N 0 0 337.810 4.425 50 0 biogenic EIAARN COc1cccc2c1ccn2CCC(=O)Nc1cccc2c1ccn2C ZINC000072324754 216151037 /nfs/dbraw/zinc/15/10/37/216151037.db2.gz RTDOTPJOGBNQDF-UHFFFAOYSA-N 0 0 347.418 4.170 50 0 biogenic EIAARN CCOC(=O)[C@H](C)Oc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 ZINC000000217529 209490536 /nfs/dbraw/zinc/49/05/36/209490536.db2.gz OIJYVDPIXJLOFZ-AWEZNQCLSA-N 0 0 346.423 4.020 50 0 EIAARN O=C1CCCC2=Nc3nc4ccccc4n3[C@H](c3ccccc3F)C12 ZINC000000222607 209494649 /nfs/dbraw/zinc/49/46/49/209494649.db2.gz JJOKZMNQLNABTM-LJQANCHMSA-N 0 0 333.366 4.197 50 0 EIAARN Cc1noc(C)c1CSc1nnc(COc2cc(C)ccc2C)o1 ZINC000028809211 212637352 /nfs/dbraw/zinc/63/73/52/212637352.db2.gz XUABSTWWHUUBJH-UHFFFAOYSA-N 0 0 345.424 4.163 50 0 EIAARN O=C(Nc1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000000203921 209481571 /nfs/dbraw/zinc/48/15/71/209481571.db2.gz XSIXSOHHPYZLFP-UHFFFAOYSA-N 0 0 347.422 4.316 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1)c1ccco1 ZINC000000171538 209463248 /nfs/dbraw/zinc/46/32/48/209463248.db2.gz IAQPLZCCVWBHHY-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc(OC)c1C ZINC000028667494 212631116 /nfs/dbraw/zinc/63/11/16/212631116.db2.gz WSDFRWITOXXHPO-CYBMUJFWSA-N 0 0 339.391 4.249 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000028405249 212617586 /nfs/dbraw/zinc/61/75/86/212617586.db2.gz NNCZEORRZXJJFW-UHFFFAOYSA-N 0 0 341.436 4.032 50 0 EIAARN COc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000000130386 209438673 /nfs/dbraw/zinc/43/86/73/209438673.db2.gz LYKXAIYDHCIMAI-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN CCOc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1O ZINC000000124202 209437029 /nfs/dbraw/zinc/43/70/29/209437029.db2.gz HQACKSMDOMZMFQ-QGZVFWFLSA-N 0 0 333.387 4.418 50 0 EIAARN O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)N1CCCC1 ZINC000000115578 209430176 /nfs/dbraw/zinc/43/01/76/209430176.db2.gz PFVMNXFAZUOYLN-UHFFFAOYSA-N 0 0 340.206 4.401 50 0 EIAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000000112505 209429163 /nfs/dbraw/zinc/42/91/63/209429163.db2.gz NWNMCIJYDBZWRX-HNNXBMFYSA-N 0 0 339.435 4.399 50 0 EIAARN Cc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 ZINC000000097510 209417243 /nfs/dbraw/zinc/41/72/43/209417243.db2.gz YSTKWLBWTBOJFJ-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN CC(=O)Nc1ccc(Oc2nc(C)nc3sc4c(c32)CCC4)cc1 ZINC000000091540 209415406 /nfs/dbraw/zinc/41/54/06/209415406.db2.gz HDYPWSJCBSZHJZ-UHFFFAOYSA-N 0 0 339.420 4.239 50 0 EIAARN COC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000028239644 212609574 /nfs/dbraw/zinc/60/95/74/212609574.db2.gz AABFELMEBFESFY-UHFFFAOYSA-N 0 0 329.739 4.125 50 0 EIAARN S=c1n(CN2CCCCC2)nc(-c2ccco2)n1-c1ccccc1 ZINC000000066429 209397109 /nfs/dbraw/zinc/39/71/09/209397109.db2.gz BOKVWOAMSKLBSK-UHFFFAOYSA-N 0 0 340.452 4.107 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000000064198 209396846 /nfs/dbraw/zinc/39/68/46/209396846.db2.gz SCFAVHBFZXFMBM-FMIVXFBMSA-N 0 0 329.783 4.169 50 0 EIAARN CN(C)c1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000000048673 209389358 /nfs/dbraw/zinc/38/93/58/209389358.db2.gz SACZINPDBMDMKN-SFHVURJKSA-N 0 0 340.496 4.072 50 0 EIAARN COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000043180 209387310 /nfs/dbraw/zinc/38/73/10/209387310.db2.gz HTUIDKAJLQOCHJ-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1cc2oc(C(=O)Nc3ccc(F)cc3)cc(=O)c2cc1Cl ZINC000072427486 216219641 /nfs/dbraw/zinc/21/96/41/216219641.db2.gz WCJPTOHMDGVZQT-UHFFFAOYSA-N 0 0 331.730 4.146 50 0 EIAARN CN(Cc1csc(-c2cccs2)n1)C(=O)c1ncoc1C1CC1 ZINC000072430339 216221601 /nfs/dbraw/zinc/22/16/01/216221601.db2.gz VDCWTCMNPWAFKR-UHFFFAOYSA-N 0 0 345.449 4.009 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000072463199 216244915 /nfs/dbraw/zinc/24/49/15/216244915.db2.gz GEVHSOVUQLLJIP-QGZVFWFLSA-N 0 0 333.391 4.022 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3c(F)cc(F)cc3F)cc2)n1 ZINC000072506706 216265580 /nfs/dbraw/zinc/26/55/80/216265580.db2.gz SBSJQCVNHHJKIG-UHFFFAOYSA-N 0 0 345.324 4.159 50 0 EIAARN Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccncc3)o2)cc1C ZINC000027408129 212556076 /nfs/dbraw/zinc/55/60/76/212556076.db2.gz TUOWKJLRDMKPND-MRXNPFEDSA-N 0 0 349.434 4.163 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000027467218 212558882 /nfs/dbraw/zinc/55/88/82/212558882.db2.gz QOGODJBWLVODPJ-UHFFFAOYSA-N 0 0 340.379 4.404 50 0 EIAARN CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000026316054 212514018 /nfs/dbraw/zinc/51/40/18/212514018.db2.gz PVHMMEUUGPTEIB-LSDHHAIUSA-N 0 0 339.439 4.109 50 0 EIAARN COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1OC(F)F ZINC000025055878 212457064 /nfs/dbraw/zinc/45/70/64/212457064.db2.gz UCRVPYKGAVASJW-GFCCVEGCSA-N 0 0 335.350 4.429 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2C)cnn1-c1ccc(C)cc1 ZINC000024831404 212442578 /nfs/dbraw/zinc/44/25/78/212442578.db2.gz IQFJWEGUJNREHC-INIZCTEOSA-N 0 0 333.435 4.289 50 0 EIAARN CCc1ccccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000024746300 212436820 /nfs/dbraw/zinc/43/68/20/212436820.db2.gz SJTXPLYYVPRAPX-UHFFFAOYSA-N 0 0 348.402 4.454 50 0 EIAARN Cc1noc(C)c1Cn1c(COc2ccccc2)nc2ccccc21 ZINC000023656556 212389514 /nfs/dbraw/zinc/38/95/14/212389514.db2.gz KNOJDUVSWRWUGQ-UHFFFAOYSA-N 0 0 333.391 4.268 50 0 EIAARN Cc1cccc(OCCNC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000023391638 212374049 /nfs/dbraw/zinc/37/40/49/212374049.db2.gz OSUPTKFIMQEOGQ-AWEZNQCLSA-N 0 0 348.393 4.055 50 0 EIAARN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000023339206 212369065 /nfs/dbraw/zinc/36/90/65/212369065.db2.gz GJRGTVAXZKBTCD-CQSZACIVSA-N 0 0 346.521 4.268 50 0 EIAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cncn1-c1ccccc1 ZINC000023269005 212364655 /nfs/dbraw/zinc/36/46/55/212364655.db2.gz OZLRJFZIITXKFM-UHFFFAOYSA-N 0 0 347.462 4.442 50 0 EIAARN Cc1[nH]c([C@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccc(Cl)cc1 ZINC000023159590 212357186 /nfs/dbraw/zinc/35/71/86/212357186.db2.gz ODSXIHJMUCNXMO-AWEZNQCLSA-N 0 0 331.847 4.010 50 0 EIAARN Cc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000023125558 212351173 /nfs/dbraw/zinc/35/11/73/212351173.db2.gz AYOZFZBNDZTOKP-UHFFFAOYSA-N 0 0 341.802 4.071 50 0 EIAARN O=C(Nc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000022996535 212340533 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CC[C@@H](c1ccccc1OC)N(C)c1cc(C)nc(-c2ccncc2)n1 ZINC000241965589 243007092 /nfs/dbraw/zinc/00/70/92/243007092.db2.gz UUBOFRLXTKVMOQ-SFHVURJKSA-N 0 0 348.450 4.443 50 0 EIAARN Cc1cc(-c2ccccc2)nc(CN2CCC[C@H]2c2nccs2)n1 ZINC000244605581 243045703 /nfs/dbraw/zinc/04/57/03/243045703.db2.gz FBGDRLPZAOZRRJ-KRWDZBQOSA-N 0 0 336.464 4.246 50 0 EIAARN CCc1ccccc1NC(=O)CCN1CCCC[C@H]1c1cc(C)on1 ZINC000244758084 243076709 /nfs/dbraw/zinc/07/67/09/243076709.db2.gz OSCSXYDEIFOYPB-IBGZPJMESA-N 0 0 341.455 4.101 50 0 EIAARN COc1cc(OC)cc(-c2nnc(Cc3c(F)cccc3Cl)o2)c1 ZINC000020852195 212175096 /nfs/dbraw/zinc/17/50/96/212175096.db2.gz OGDHCCDETBKIGU-UHFFFAOYSA-N 0 0 348.761 4.137 50 0 EIAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)cc1 ZINC000020721714 212163070 /nfs/dbraw/zinc/16/30/70/212163070.db2.gz HMNBYAXKAJFVKT-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CCc1cc(C(=O)Nc2nc(-c3cn(CC)nc3C)cs2)cs1 ZINC000020607211 212153910 /nfs/dbraw/zinc/15/39/10/212153910.db2.gz KDDMKWHWICWNNS-UHFFFAOYSA-N 0 0 346.481 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CCc1cccc(C)c1NC(=O)c1ncn(-c2ccc(Cl)cc2)n1 ZINC000019910805 212082753 /nfs/dbraw/zinc/08/27/53/212082753.db2.gz NUOYSDGCRNAFBM-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN Nc1c2cccnc2sc1-c1n[nH]c(=S)n1C1CCCCC1 ZINC000019894311 212080729 /nfs/dbraw/zinc/08/07/29/212080729.db2.gz HNWUHNAHQKRUMC-UHFFFAOYSA-N 0 0 331.470 4.305 50 0 EIAARN Cc1ccc(CN(C(=O)c2cccc(-n3cccn3)c2)C2CC2)s1 ZINC000077439189 216905291 /nfs/dbraw/zinc/90/52/91/216905291.db2.gz OIPDEXBRHXWNFN-UHFFFAOYSA-N 0 0 337.448 4.047 50 0 EIAARN Cc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(C)cc1C ZINC000019837200 212074546 /nfs/dbraw/zinc/07/45/46/212074546.db2.gz LGKYPTLDTWNVJY-INIZCTEOSA-N 0 0 337.467 4.260 50 0 EIAARN CN1CCN([C@@H]2Cc3ccccc3Sc3cccc(Cl)c32)CC1 ZINC000019802367 212070182 /nfs/dbraw/zinc/07/01/82/212070182.db2.gz HCYCWVOZOUONBP-MRXNPFEDSA-N 0 0 344.911 4.336 50 0 EIAARN CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(N)c2C)cc1 ZINC000019736747 212059496 /nfs/dbraw/zinc/05/94/96/212059496.db2.gz DRLFDCRWQWYTTB-UHFFFAOYSA-N 0 0 326.440 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CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H](C)OCc1cccc(OC)c1 ZINC000084721660 217636540 /nfs/dbraw/zinc/63/65/40/217636540.db2.gz XHKRSZJGNUYAIM-FRQCXROJSA-N 0 0 333.472 4.028 50 0 EIAARN O=C(NCC[C@@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000085436445 217668104 /nfs/dbraw/zinc/66/81/04/217668104.db2.gz JXZBTCPWADFZRD-OAQYLSRUSA-N 0 0 331.415 4.207 50 0 EIAARN COCCN(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1 ZINC000013660972 211600956 /nfs/dbraw/zinc/60/09/56/211600956.db2.gz ZEHIQPPQGCBJLA-UHFFFAOYSA-N 0 0 334.872 4.185 50 0 EIAARN Cc1cccc(C(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)c1 ZINC000013494878 211568507 /nfs/dbraw/zinc/56/85/07/211568507.db2.gz MOLVBCJFGQUCHB-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN COc1ccccc1[C@H](NC(=O)N(C)Cc1ccncc1)C(C)(C)C ZINC000088783532 217769226 /nfs/dbraw/zinc/76/92/26/217769226.db2.gz NDCZUQQWFUNWMX-SFHVURJKSA-N 0 0 341.455 4.019 50 0 EIAARN COc1ccc([C@H](C)NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000013328721 211547365 /nfs/dbraw/zinc/54/73/65/211547365.db2.gz XYZYXMVLKKGARN-ZDUSSCGKSA-N 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211403724 /nfs/dbraw/zinc/40/37/24/211403724.db2.gz KASBZDMQRYUGCZ-CYBMUJFWSA-N 0 0 333.391 4.119 50 0 EIAARN FC(F)n1ccnc1CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000012539258 211402309 /nfs/dbraw/zinc/40/23/09/211402309.db2.gz NLMYIQSTOBIDPJ-UHFFFAOYSA-N 0 0 347.394 4.029 50 0 EIAARN COC(=O)c1ccc(-c2nc(-c3ccccc3)c3ccccn32)cc1 ZINC000012616806 211425254 /nfs/dbraw/zinc/42/52/54/211425254.db2.gz YPESNMXHVYERLG-UHFFFAOYSA-N 0 0 328.371 4.455 50 0 EIAARN Cc1ccsc1/C=C1/c2cc(Br)ccc2N(C)C1=O ZINC000012604219 211422620 /nfs/dbraw/zinc/42/26/20/211422620.db2.gz MEMSNXKZGHBDAL-WQLSENKSSA-N 0 0 334.238 4.336 50 0 EIAARN O=C(Nc1c(Cl)cccc1Cl)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012428410 211377284 /nfs/dbraw/zinc/37/72/84/211377284.db2.gz VBCOOIKAFLTMFV-ZACCUICWSA-N 0 0 326.223 4.327 50 0 EIAARN O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)C1CC1 ZINC000012525712 211399526 /nfs/dbraw/zinc/39/95/26/211399526.db2.gz KUHVDAQEVGQZDL-UHFFFAOYSA-N 0 0 349.312 4.045 50 0 EIAARN Cc1ccnc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000012527221 211399149 /nfs/dbraw/zinc/39/91/49/211399149.db2.gz PQOCCFMRDCROKU-UHFFFAOYSA-N 0 0 343.839 4.348 50 0 EIAARN O=C(NCc1ccccn1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012527759 211398938 /nfs/dbraw/zinc/39/89/38/211398938.db2.gz JDVGGOZJTREQIH-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN Cc1c(C(=O)Nc2cccnc2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012526498 211398534 /nfs/dbraw/zinc/39/85/34/211398534.db2.gz YCKXBXLICHVZGK-UHFFFAOYSA-N 0 0 340.452 4.253 50 0 EIAARN Cc1cn2c(CC(=O)Nc3cccc(Cl)c3Cl)csc2n1 ZINC000012520711 211397205 /nfs/dbraw/zinc/39/72/05/211397205.db2.gz OXOLDDPBTJLFBP-UHFFFAOYSA-N 0 0 340.235 4.192 50 0 EIAARN CCc1ccc(N[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 ZINC000012515635 211396159 /nfs/dbraw/zinc/39/61/59/211396159.db2.gz OAPDAZHWXBHXCF-IBGZPJMESA-N 0 0 335.407 4.337 50 0 EIAARN Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000012505778 211395156 /nfs/dbraw/zinc/39/51/56/211395156.db2.gz QFHJKQGGANUREI-UHFFFAOYSA-N 0 0 326.265 4.354 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2ccccc2[nH]1 ZINC000012486650 211393288 /nfs/dbraw/zinc/39/32/88/211393288.db2.gz GPMHRTMVXDMMBT-UHFFFAOYSA-N 0 0 327.387 4.411 50 0 EIAARN Clc1ccc([C@H]2C[C@@H](c3ccco3)n3ncnc3N2)cc1Cl ZINC000012469107 211390936 /nfs/dbraw/zinc/39/09/36/211390936.db2.gz WWHJTHRTEUEZHH-OLZOCXBDSA-N 0 0 335.194 4.324 50 0 EIAARN Cc1cccc(C(=O)NC[C@H](C)OC23CC4CC(CC(C4)C2)C3)c1 ZINC000012462739 211389263 /nfs/dbraw/zinc/38/92/63/211389263.db2.gz FMIONIPANVJNFX-SIHNGCNOSA-N 0 0 327.468 4.099 50 0 EIAARN C[C@H]1CN=C(N(C(=O)Nc2ccc(F)cc2)c2ccccc2)S1 ZINC000012418117 211374497 /nfs/dbraw/zinc/37/44/97/211374497.db2.gz VXIHAEZSNHRDEK-LBPRGKRZSA-N 0 0 329.400 4.356 50 0 EIAARN Cc1ccc(-n2c(N)c(C(=O)Nc3ccccc3)sc2=S)cc1 ZINC000012415459 211372974 /nfs/dbraw/zinc/37/29/74/211372974.db2.gz NIPOTBMLRWYMTO-UHFFFAOYSA-N 0 0 341.461 4.411 50 0 EIAARN Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NC(C)C ZINC000012407943 211370541 /nfs/dbraw/zinc/37/05/41/211370541.db2.gz NTKAGNHGQDBHIR-UHFFFAOYSA-N 0 0 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CC(C)Oc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 ZINC000011917206 211270366 /nfs/dbraw/zinc/27/03/66/211270366.db2.gz JBPYRYPEXGSKIM-UHFFFAOYSA-N 0 0 345.449 4.306 50 0 EIAARN COc1ccc(NC(=O)c2sc(-n3cccc3)nc2C)cc1Cl ZINC000011865873 211261354 /nfs/dbraw/zinc/26/13/54/211261354.db2.gz GVPRPJNWRZQIEY-UHFFFAOYSA-N 0 0 347.827 4.157 50 0 EIAARN CCOc1ccccc1NC(=O)c1c(C)oc2ccc(OC)cc21 ZINC000011866456 211261360 /nfs/dbraw/zinc/26/13/60/211261360.db2.gz CBGYIJUEUFHDHR-UHFFFAOYSA-N 0 0 325.364 4.401 50 0 EIAARN c1c(-c2cccc(OCc3ccccn3)c2)nnn1C1CCCCC1 ZINC000091535241 218019631 /nfs/dbraw/zinc/01/96/31/218019631.db2.gz JOCDYFIIMSDABP-UHFFFAOYSA-N 0 0 334.423 4.424 50 0 EIAARN Cc1cccc2nc(C(=O)N3CCCCC[C@H]3c3ccco3)c(F)n21 ZINC000091563432 218022624 /nfs/dbraw/zinc/02/26/24/218022624.db2.gz SMNKUPWGFWVZFF-AWEZNQCLSA-N 0 0 341.386 4.132 50 0 EIAARN COc1cccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)c1 ZINC000011847335 211255171 /nfs/dbraw/zinc/25/51/71/211255171.db2.gz YQESEIFTUYGCAB-QZQOTICOSA-N 0 0 348.427 4.143 50 0 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/nfs/dbraw/zinc/18/36/53/211183653.db2.gz DRQHQAPESHVEBA-UHFFFAOYSA-N 0 0 332.407 4.109 50 0 EIAARN Brc1ccc(CCNc2ncnc3sccc32)s1 ZINC000010911924 211193932 /nfs/dbraw/zinc/19/39/32/211193932.db2.gz NCGFXVWBIOBXGT-UHFFFAOYSA-N 0 0 340.271 4.170 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1C ZINC000010544574 211180713 /nfs/dbraw/zinc/18/07/13/211180713.db2.gz OJLRCVWLIGGBSG-KRWDZBQOSA-N 0 0 333.435 4.200 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1c(C)cccc1C ZINC000010539821 211178889 /nfs/dbraw/zinc/17/88/89/211178889.db2.gz YAJBRUHFXXGVDP-UHFFFAOYSA-N 0 0 349.434 4.123 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000010503779 211178069 /nfs/dbraw/zinc/17/80/69/211178069.db2.gz ACKRLWJRMREWKX-CQSZACIVSA-N 0 0 339.826 4.236 50 0 EIAARN O=C(NCc1ccccc1OC(F)F)Nc1nc2ccccc2s1 ZINC000010465033 211176288 /nfs/dbraw/zinc/17/62/88/211176288.db2.gz VTXIJADGXYYYNS-UHFFFAOYSA-N 0 0 349.362 4.219 50 0 EIAARN CCCn1cc(C(=O)CSc2nnc(C)s2)c2ccccc21 ZINC000010480533 211175827 /nfs/dbraw/zinc/17/58/27/211175827.db2.gz ZYHBOOATFXFHBB-UHFFFAOYSA-N 0 0 331.466 4.186 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 ZINC000010490804 211175026 /nfs/dbraw/zinc/17/50/26/211175026.db2.gz YVNLTGWPAOYNCF-UHFFFAOYSA-N 0 0 345.761 4.453 50 0 EIAARN Cc1cc(F)ccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C ZINC000010444841 211173231 /nfs/dbraw/zinc/17/32/31/211173231.db2.gz RLNFIYIPHJGIBX-UHFFFAOYSA-N 0 0 326.375 4.020 50 0 EIAARN O=C(Nc1ccc(F)cc1)C1=Cc2cc(Br)ccc2OC1 ZINC000010366231 211168281 /nfs/dbraw/zinc/16/82/81/211168281.db2.gz BNTRVCHHTSZYPA-UHFFFAOYSA-N 0 0 348.171 4.003 50 0 EIAARN Cc1cccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000010260365 211158854 /nfs/dbraw/zinc/15/88/54/211158854.db2.gz BBNKFWDIAMLEOO-HNNXBMFYSA-N 0 0 334.423 4.283 50 0 EIAARN Cc1cccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000010260366 211158752 /nfs/dbraw/zinc/15/87/52/211158752.db2.gz BBNKFWDIAMLEOO-OAHLLOKOSA-N 0 0 334.423 4.283 50 0 EIAARN O=C(Nc1ccccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000010260399 211158788 /nfs/dbraw/zinc/15/87/88/211158788.db2.gz AYAVGWGCCQHZPH-UHFFFAOYSA-N 0 0 338.386 4.114 50 0 EIAARN Cc1nc2cc(NC(=O)c3ccc(C)c(-n4cccc4)c3)ccc2o1 ZINC000010321319 211162671 /nfs/dbraw/zinc/16/26/71/211162671.db2.gz PFNFELUMIFKNKL-UHFFFAOYSA-N 0 0 331.375 4.488 50 0 EIAARN Cc1cccc([C@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)c1 ZINC000010156558 211152133 /nfs/dbraw/zinc/15/21/33/211152133.db2.gz NSRFEGMCCLXMNN-MRXNPFEDSA-N 0 0 329.403 4.441 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1OCC(F)(F)F ZINC000010115358 211150245 /nfs/dbraw/zinc/15/02/45/211150245.db2.gz TWESCSNKEGYNFL-UHFFFAOYSA-N 0 0 348.324 4.290 50 0 EIAARN C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(F)c(F)c1 ZINC000010035142 211144073 /nfs/dbraw/zinc/14/40/73/211144073.db2.gz JVMAFVBKKVJHHD-SECBINFHSA-N 0 0 333.363 4.457 50 0 EIAARN O=C(CSc1nnc2n1CCCCC2)c1ccc2ccccc2c1 ZINC000010024054 211143089 /nfs/dbraw/zinc/14/30/89/211143089.db2.gz OUGODACQVHTOFI-UHFFFAOYSA-N 0 0 337.448 4.133 50 0 EIAARN CCOc1ncccc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000010215548 211152865 /nfs/dbraw/zinc/15/28/65/211152865.db2.gz QPOJBWZCFHACGS-INIZCTEOSA-N 0 0 330.815 4.015 50 0 EIAARN COc1ccc(-c2nnc(CN[C@@H](c3ccc(C)cc3)C3CC3)o2)cc1 ZINC000009954658 211135737 /nfs/dbraw/zinc/13/57/37/211135737.db2.gz FUXWOADPMVCNDD-FQEVSTJZSA-N 0 0 349.434 4.295 50 0 EIAARN FC(F)(F)c1cc(-c2ccccn2)nc2c(-c3ccccc3)cnn21 ZINC000009925820 211134844 /nfs/dbraw/zinc/13/48/44/211134844.db2.gz PXIUQWSNVWKZOJ-UHFFFAOYSA-N 0 0 340.308 4.477 50 0 EIAARN Cc1nc2sc3c(c2c(-c2ccco2)c1C(N)=O)CC[C@@H](C)C3 ZINC000009884513 211130728 /nfs/dbraw/zinc/13/07/28/211130728.db2.gz BBHKTBBFOXKABX-SECBINFHSA-N 0 0 326.421 4.088 50 0 EIAARN Cc1oc(C)c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C ZINC000009882671 211129553 /nfs/dbraw/zinc/12/95/53/211129553.db2.gz AHMXPTJATYIWMD-UHFFFAOYSA-N 0 0 327.380 4.499 50 0 EIAARN CC[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cc(C)on1 ZINC000009690342 211115463 /nfs/dbraw/zinc/11/54/63/211115463.db2.gz NNGCKEPMFDHZGI-CYBMUJFWSA-N 0 0 347.465 4.368 50 0 EIAARN O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009872032 211128161 /nfs/dbraw/zinc/12/81/61/211128161.db2.gz SLKHQSGATKGOHS-UHFFFAOYSA-N 0 0 349.430 4.398 50 0 EIAARN CC(C)c1ccc([C@H](NC(=O)NCc2ccncc2)C(C)C)cc1 ZINC000009761031 211122372 /nfs/dbraw/zinc/12/23/72/211122372.db2.gz QVDHTLPETIDYML-LJQANCHMSA-N 0 0 325.456 4.402 50 0 EIAARN O=C(Nc1nnc(CCCc2ccccc2)s1)C1CCCCC1 ZINC000009667439 211112086 /nfs/dbraw/zinc/11/20/86/211112086.db2.gz ZFIVJEYAMNEJIJ-UHFFFAOYSA-N 0 0 329.469 4.232 50 0 EIAARN O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccco1 ZINC000009659968 211112202 /nfs/dbraw/zinc/11/22/02/211112202.db2.gz GXJRBLTZEBAJQX-UHFFFAOYSA-N 0 0 349.317 4.444 50 0 EIAARN Cc1ncccc1C(=O)N(CCC(C)C)c1nnc(C)c2ccccc21 ZINC000093346114 218217261 /nfs/dbraw/zinc/21/72/61/218217261.db2.gz DXUSIQSOIYLTHR-UHFFFAOYSA-N 0 0 348.450 4.335 50 0 EIAARN O=C(COc1ccc(Cl)cc1)N(c1ccccc1)c1ccccn1 ZINC000009644335 211110971 /nfs/dbraw/zinc/11/09/71/211110971.db2.gz VUMUBZALESFCSS-UHFFFAOYSA-N 0 0 338.794 4.479 50 0 EIAARN Cc1ccc2n1CCN(C(=O)Nc1ccc(C)c(F)c1)[C@@H]2C(C)C ZINC000009528365 211097892 /nfs/dbraw/zinc/09/78/92/211097892.db2.gz MMNFDGQNVXSWOT-GOSISDBHSA-N 0 0 329.419 4.489 50 0 EIAARN Cc1ccc(CSc2ncc(CO)n2Cc2ccc(C)cc2)cc1 ZINC000009529055 211098020 /nfs/dbraw/zinc/09/80/20/211098020.db2.gz SSMDWGCIOOLDLM-UHFFFAOYSA-N 0 0 338.476 4.333 50 0 EIAARN COc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc(Cl)c1OC ZINC000009516287 211096957 /nfs/dbraw/zinc/09/69/57/211096957.db2.gz TXLNOZCNWDAHDY-DOMZBBRYSA-N 0 0 337.847 4.152 50 0 EIAARN COc1ccc(-c2nnc(SCCc3ccccc3)o2)c(OC)c1 ZINC000009495104 211091944 /nfs/dbraw/zinc/09/19/44/211091944.db2.gz AVGQNNCTCDVVMN-UHFFFAOYSA-N 0 0 342.420 4.089 50 0 EIAARN C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1cccs1 ZINC000009479666 211089394 /nfs/dbraw/zinc/08/93/94/211089394.db2.gz AEADGQAZDAEKTC-GFCCVEGCSA-N 0 0 340.404 4.084 50 0 EIAARN Fc1cccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn32)c1 ZINC000009476667 211089327 /nfs/dbraw/zinc/08/93/27/211089327.db2.gz SXWHCWYCJZZKSU-UHFFFAOYSA-N 0 0 347.378 4.207 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3cc(F)ccc3F)c1CO2 ZINC000009439945 211085085 /nfs/dbraw/zinc/08/50/85/211085085.db2.gz PTILXOHDGDJZLQ-UHFFFAOYSA-N 0 0 342.301 4.073 50 0 EIAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000009454216 211086266 /nfs/dbraw/zinc/08/62/66/211086266.db2.gz HJPVQPBHXXWYMD-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000009364945 211076168 /nfs/dbraw/zinc/07/61/68/211076168.db2.gz PADDRIGXSKVZBP-UHFFFAOYSA-N 0 0 348.402 4.194 50 0 EIAARN O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1c1cccs1 ZINC000009366926 211075888 /nfs/dbraw/zinc/07/58/88/211075888.db2.gz RBWAYZPNYWASSL-AWEZNQCLSA-N 0 0 343.477 4.080 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000009364742 211075495 /nfs/dbraw/zinc/07/54/95/211075495.db2.gz LSSSSEOMYBIYNB-UHFFFAOYSA-N 0 0 349.362 4.199 50 0 EIAARN Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1F ZINC000009390165 211078772 /nfs/dbraw/zinc/07/87/72/211078772.db2.gz HDBVBNOVDQYBGI-UHFFFAOYSA-N 0 0 335.762 4.201 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000009314027 211064599 /nfs/dbraw/zinc/06/45/99/211064599.db2.gz GKRYCIFICFXHEW-UHFFFAOYSA-N 0 0 344.169 4.402 50 0 EIAARN Cc1ccc(Nc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 ZINC000009306717 211064051 /nfs/dbraw/zinc/06/40/51/211064051.db2.gz QASSEXISQHIHNS-UHFFFAOYSA-N 0 0 335.798 4.497 50 0 EIAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(C)cc3)nc2c1 ZINC000009290305 211062399 /nfs/dbraw/zinc/06/23/99/211062399.db2.gz VNGKCKYOJJVGRR-UHFFFAOYSA-N 0 0 341.436 4.001 50 0 EIAARN Cc1ccccc1-n1nnnc1SCc1ccc(F)cc1Cl ZINC000009257667 211059623 /nfs/dbraw/zinc/05/96/23/211059623.db2.gz RLAXSMYHNHBYJJ-UHFFFAOYSA-N 0 0 334.807 4.056 50 0 EIAARN Cc1ccc(-c2nc3nc(C)cc(Nc4ccc(F)cc4)n3n2)cc1 ZINC000009207047 211053149 /nfs/dbraw/zinc/05/31/49/211053149.db2.gz QQQCULHVYVIFDA-UHFFFAOYSA-N 0 0 333.370 4.291 50 0 EIAARN CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C1CCCCC1 ZINC000009210702 211052724 /nfs/dbraw/zinc/05/27/24/211052724.db2.gz JSARWIQWUVTYRR-UHFFFAOYSA-N 0 0 340.467 4.155 50 0 EIAARN Cc1ccc(Nc2nc3c(cnn3C)c(Nc3ccccc3)n2)cc1 ZINC000009212201 211052636 /nfs/dbraw/zinc/05/26/36/211052636.db2.gz QTPQCQZREZTFPN-UHFFFAOYSA-N 0 0 330.395 4.159 50 0 EIAARN Cc1ccc(C)c(NC(=O)CCCc2nc(-c3ccccc3)no2)c1 ZINC000009196525 211052284 /nfs/dbraw/zinc/05/22/84/211052284.db2.gz MMTGODOGHGPESU-UHFFFAOYSA-N 0 0 335.407 4.315 50 0 EIAARN CC(C)(C)OC(=O)Nc1ccc2cnn(C(=O)OC(C)(C)C)c2c1 ZINC000094992643 218271829 /nfs/dbraw/zinc/27/18/29/218271829.db2.gz WRGGMGDJWQGFOI-UHFFFAOYSA-N 0 0 333.388 4.167 50 0 EIAARN CCCOc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000009230486 211057165 /nfs/dbraw/zinc/05/71/65/211057165.db2.gz ITNIZZPTANPHEC-UHFFFAOYSA-N 0 0 340.423 4.322 50 0 EIAARN Cc1ccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)cc1 ZINC000009227156 211055511 /nfs/dbraw/zinc/05/55/11/211055511.db2.gz MMRUMIHJFNORQF-UHFFFAOYSA-N 0 0 337.448 4.274 50 0 EIAARN CC(=O)c1ccc(Nc2cc(C)nc3nc(-c4ccccc4)nn32)cc1 ZINC000009185297 211048505 /nfs/dbraw/zinc/04/85/05/211048505.db2.gz GWLWMYGCXQYAQZ-UHFFFAOYSA-N 0 0 343.390 4.046 50 0 EIAARN O=C1Nc2ccc(Cl)cc2[C@H](c2ccccc2)[C@H]1N1CCCCC1 ZINC000009186457 211048643 /nfs/dbraw/zinc/04/86/43/211048643.db2.gz RFJOHFMXEIPMJX-RBUKOAKNSA-N 0 0 340.854 4.279 50 0 EIAARN C[C@@H](NC(=O)CCCc1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000009156590 211046766 /nfs/dbraw/zinc/04/67/66/211046766.db2.gz OFWRGYUEWNETIS-OAHLLOKOSA-N 0 0 339.464 4.134 50 0 EIAARN Cc1ccc(NC(=O)CCCc2nc(-c3cccc(C)c3)no2)cc1 ZINC000009196388 211051406 /nfs/dbraw/zinc/05/14/06/211051406.db2.gz OEGDTWQFAGCZIC-UHFFFAOYSA-N 0 0 335.407 4.315 50 0 EIAARN C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1 ZINC000009114156 211041978 /nfs/dbraw/zinc/04/19/78/211041978.db2.gz IZNLCBZOEKSMTK-LBPRGKRZSA-N 0 0 328.462 4.292 50 0 EIAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000009115546 211041686 /nfs/dbraw/zinc/04/16/86/211041686.db2.gz FZLTUWIUQNVJIF-CYBMUJFWSA-N 0 0 325.437 4.299 50 0 EIAARN CCCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 ZINC000009154789 211045814 /nfs/dbraw/zinc/04/58/14/211045814.db2.gz LSNIXLSEEYJRCE-UHFFFAOYSA-N 0 0 335.404 4.036 50 0 EIAARN CN(C)c1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)ccn1 ZINC000095350426 218284763 /nfs/dbraw/zinc/28/47/63/218284763.db2.gz PEPRKEFNNDHAJD-UHFFFAOYSA-N 0 0 333.391 4.192 50 0 EIAARN Cc1nc(CSCCC(=O)NCc2ccc(Cl)cc2)cs1 ZINC000009065583 211037655 /nfs/dbraw/zinc/03/76/55/211037655.db2.gz PXPLWXDMKQJFKQ-UHFFFAOYSA-N 0 0 340.901 4.045 50 0 EIAARN O=C(/C=C/c1ccccc1)N1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095359222 218292832 /nfs/dbraw/zinc/29/28/32/218292832.db2.gz MLBPWQLKSFOKRS-SGWGQVFISA-N 0 0 349.478 4.103 50 0 EIAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000009096278 211040505 /nfs/dbraw/zinc/04/05/05/211040505.db2.gz UGTTZAKHMFHZCR-LBPRGKRZSA-N 0 0 348.431 4.031 50 0 EIAARN C[C@@H]1CN(c2ccc(Nc3nc4ccccc4s3)cn2)C[C@@H](C)O1 ZINC000095356644 218290743 /nfs/dbraw/zinc/29/07/43/218290743.db2.gz VTCQGSQXOSMQPX-CHWSQXEVSA-N 0 0 340.452 4.049 50 0 EIAARN Fc1ccc(Nc2nc3nccnc3c(Nc3ccccc3)n2)cc1 ZINC000009075219 211039154 /nfs/dbraw/zinc/03/91/54/211039154.db2.gz YWIAMAWGHGMVFC-UHFFFAOYSA-N 0 0 332.342 4.046 50 0 EIAARN O=C(Nc1nnc(CSc2ccccc2)s1)C1CCCCC1 ZINC000009095462 211039250 /nfs/dbraw/zinc/03/92/50/211039250.db2.gz VNCUIUNCTMPACQ-UHFFFAOYSA-N 0 0 333.482 4.349 50 0 EIAARN S=c1nc(-c2ccccc2Cl)n(-c2nc3ccccc3s2)[nH]1 ZINC000009008041 211030394 /nfs/dbraw/zinc/03/03/94/211030394.db2.gz OTGOPMGKJGRQAL-UHFFFAOYSA-N 0 0 344.852 4.486 50 0 EIAARN CCc1ccccc1NC(=O)c1oc2c(c1C)[C@H](O)CC(C)(C)C2 ZINC000009047435 211034394 /nfs/dbraw/zinc/03/43/94/211034394.db2.gz IBXXBMPXOUWVSH-OAHLLOKOSA-N 0 0 327.424 4.409 50 0 EIAARN Fc1ccccc1OCCNc1cccc(Cl)c1-n1cccn1 ZINC000095364896 218297720 /nfs/dbraw/zinc/29/77/20/218297720.db2.gz XNLDWLJUAYUXEI-UHFFFAOYSA-N 0 0 331.778 4.156 50 0 EIAARN CC(C)CCN1c2ccc(NC(=O)C(C)C)cc2OCC(C)(C)C1=O ZINC000008959294 211023132 /nfs/dbraw/zinc/02/31/32/211023132.db2.gz WGCHSKNCBKRYDS-UHFFFAOYSA-N 0 0 346.471 4.079 50 0 EIAARN CCOc1c(Cl)cc(C(=O)Nc2cccc(C(C)=O)c2)cc1OC ZINC000008987170 211026940 /nfs/dbraw/zinc/02/69/40/211026940.db2.gz RJNPZOJIQBKHHP-UHFFFAOYSA-N 0 0 347.798 4.202 50 0 EIAARN COc1ccc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 ZINC000008985407 211026139 /nfs/dbraw/zinc/02/61/39/211026139.db2.gz GWAQDBWSICHZHT-INIZCTEOSA-N 0 0 343.448 4.219 50 0 EIAARN CCCC[NH2+]Cc1c(C)n(Cc2cc(C)ccc2C)c(C)c1C(=O)[O-] ZINC000008932593 211020250 /nfs/dbraw/zinc/02/02/50/211020250.db2.gz OHNGELUITQYELS-UHFFFAOYSA-N 0 0 342.483 4.358 50 0 EIAARN COc1ccsc1C(=O)Nc1c(-c2ccccc2)ncn1C1CC1 ZINC000095381538 218313179 /nfs/dbraw/zinc/31/31/79/218313179.db2.gz VEXHBHWDEZFLIL-UHFFFAOYSA-N 0 0 339.420 4.207 50 0 EIAARN Cc1occc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000008907760 211017149 /nfs/dbraw/zinc/01/71/49/211017149.db2.gz HAEMUKRMUOMVNK-UHFFFAOYSA-N 0 0 335.319 4.150 50 0 EIAARN Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3ccc(F)cc3)on2)cc1 ZINC000008915202 211016940 /nfs/dbraw/zinc/01/69/40/211016940.db2.gz MGDNCRJXWKLKJB-ZDUSSCGKSA-N 0 0 340.354 4.195 50 0 EIAARN CC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cs1 ZINC000095387429 218318864 /nfs/dbraw/zinc/31/88/64/218318864.db2.gz GCETVDDNXWLTAY-QGZVFWFLSA-N 0 0 343.448 4.029 50 0 EIAARN Cc1noc2nc(C)cc(C(=O)N3CCCCC[C@@H]3c3ccco3)c12 ZINC000095391235 218323002 /nfs/dbraw/zinc/32/30/02/218323002.db2.gz WFAPREHDRDAPMA-OAHLLOKOSA-N 0 0 339.395 4.190 50 0 EIAARN COc1cc(OC)c(NC(=O)Cc2ccccc2Cl)cc1Cl ZINC000008884084 211014958 /nfs/dbraw/zinc/01/49/58/211014958.db2.gz FEJMZEKVFVTNMN-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN COc1ccccc1CC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000095393039 218325104 /nfs/dbraw/zinc/32/51/04/218325104.db2.gz DRAJONGRKFYGSM-UHFFFAOYSA-N 0 0 345.398 4.249 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 ZINC000008772565 211003865 /nfs/dbraw/zinc/00/38/65/211003865.db2.gz KLXCFSUIZYFSHP-UHFFFAOYSA-N 0 0 342.424 4.186 50 0 EIAARN COc1ccc2c(CC(=O)N(C)Cc3sccc3C)coc2c1 ZINC000008762957 211002538 /nfs/dbraw/zinc/00/25/38/211002538.db2.gz PVMLADGBNZKTGH-UHFFFAOYSA-N 0 0 329.421 4.012 50 0 EIAARN c1sc(C2CC2)nc1CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000095396764 218329266 /nfs/dbraw/zinc/32/92/66/218329266.db2.gz XDQQYSVFBZKDJR-SFHVURJKSA-N 0 0 342.464 4.033 50 0 EIAARN O=C(N[C@H]1CCSc2ccccc21)c1cc2c(c(Cl)c1)OCO2 ZINC000008754818 211001293 /nfs/dbraw/zinc/00/12/93/211001293.db2.gz KWBMLPCCLWBVJL-ZDUSSCGKSA-N 0 0 347.823 4.036 50 0 EIAARN O=C(N[C@@H]1CCSc2ccccc21)c1cc2c(c(Cl)c1)OCO2 ZINC000008754816 211000583 /nfs/dbraw/zinc/00/05/83/211000583.db2.gz KWBMLPCCLWBVJL-CYBMUJFWSA-N 0 0 347.823 4.036 50 0 EIAARN Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000008762555 211000351 /nfs/dbraw/zinc/00/03/51/211000351.db2.gz OHNQBPXTWIHZKK-CQSZACIVSA-N 0 0 334.419 4.378 50 0 EIAARN CN(Cc1cnccn1)C(=O)Nc1cccc(CSC(C)(C)C)c1 ZINC000095398412 218330727 /nfs/dbraw/zinc/33/07/27/218330727.db2.gz FNVSHZRSJBUDMW-UHFFFAOYSA-N 0 0 344.484 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N=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 ZINC000005102069 210390396 /nfs/dbraw/zinc/39/03/96/210390396.db2.gz SDLBXIXTAMAVRD-SDQBBNPISA-N 0 0 339.203 4.392 50 0 EIAARN Cc1csc(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)n1 ZINC000005101551 210389374 /nfs/dbraw/zinc/38/93/74/210389374.db2.gz MUQFAYSPHMVKIF-IUODEOHRSA-N 0 0 332.494 4.126 50 0 EIAARN O=C(C=Cc1ccc(Cl)cc1)OCC(=O)c1c[nH]c2ccccc12 ZINC000005127692 210397085 /nfs/dbraw/zinc/39/70/85/210397085.db2.gz BXQDCWXEYPQWPE-JXMROGBWSA-N 0 0 339.778 4.261 50 0 EIAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(CC)cc2)c(C)n1CC ZINC000005054584 210377325 /nfs/dbraw/zinc/37/73/25/210377325.db2.gz OJZQOMPJIDBFAN-UHFFFAOYSA-N 0 0 342.439 4.116 50 0 EIAARN CCOC(=O)c1c(C)c(C(=O)Nc2cc(C)cc(C)c2)c(C)n1CC ZINC000005054630 210376917 /nfs/dbraw/zinc/37/69/17/210376917.db2.gz QDPRTKMDUCJNRK-UHFFFAOYSA-N 0 0 342.439 4.171 50 0 EIAARN CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000097109097 218959220 /nfs/dbraw/zinc/95/92/20/218959220.db2.gz XDHMCRBERCDHKE-KRWDZBQOSA-N 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LMFIRLJQVLYETJ-UHFFFAOYSA-N 0 0 341.455 4.231 50 0 EIAARN CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1 ZINC000004980777 210348097 /nfs/dbraw/zinc/34/80/97/210348097.db2.gz POPYVTNKYMBXPE-UHFFFAOYSA-N 0 0 348.446 4.478 50 0 EIAARN Cc1cccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000004974083 210344593 /nfs/dbraw/zinc/34/45/93/210344593.db2.gz LJBOBFXTXNQJOL-KBAYOESNSA-N 0 0 332.440 4.156 50 0 EIAARN CC1=CC=CN2C(c3ccco3)=NC(C(F)(F)F)(C(F)(F)F)N=C12 ZINC000000032940 208552216 /nfs/dbraw/zinc/55/22/16/208552216.db2.gz CNYZATPCJZNRTI-UHFFFAOYSA-N 0 0 349.234 4.035 50 0 EIAARN C[C@H](Oc1ccccc1)c1nn2c(nnc2-c2cccs2)s1 ZINC000004939243 210330190 /nfs/dbraw/zinc/33/01/90/210330190.db2.gz CVJFMODUGGQFPU-JTQLQIEISA-N 0 0 328.422 4.054 50 0 EIAARN O=C(NC[C@@H]1CCCO1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938165 210329432 /nfs/dbraw/zinc/32/94/32/210329432.db2.gz ZCTCICBKAOSDCV-JTQLQIEISA-N 0 0 346.839 4.012 50 0 EIAARN Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccccc3O)c12 ZINC000004934796 210328716 /nfs/dbraw/zinc/32/87/16/210328716.db2.gz UROOABAURSDPCX-UHFFFAOYSA-N 0 0 334.379 4.139 50 0 EIAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(C)=O)cc21 ZINC000000036619 208554234 /nfs/dbraw/zinc/55/42/34/208554234.db2.gz NNIDZZFTFOZDEI-UHFFFAOYSA-N 0 0 337.375 4.041 50 0 biogenic EIAARN CC(C)(C1=N[C@H](c2ccccc2)CO1)C1=N[C@H](c2ccccc2)CO1 ZINC000000039431 208555706 /nfs/dbraw/zinc/55/57/06/208555706.db2.gz JTNVCJCSECAMLD-ROUUACIJSA-N 0 0 334.419 4.353 50 0 EIAARN COc1ccc2[nH]c(SCc3nc4ccccc4s3)nc2c1 ZINC000003493478 208559189 /nfs/dbraw/zinc/55/91/89/208559189.db2.gz QNOCGNOJIWDCRX-UHFFFAOYSA-N 0 0 327.434 4.474 50 0 EIAARN Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000003491208 208559565 /nfs/dbraw/zinc/55/95/65/208559565.db2.gz CTHKWOFROYHODC-UHFFFAOYSA-N 0 0 329.827 4.236 50 0 EIAARN Fc1ccccc1-c1nc(SCCOc2ccccc2Cl)n[nH]1 ZINC000004877864 210310059 /nfs/dbraw/zinc/31/00/59/210310059.db2.gz YFLNQENRRQEVQW-UHFFFAOYSA-N 0 0 349.818 4.435 50 0 EIAARN Cc1cc(C)cc(N[C@H]2c3ccccc3C(=O)N2c2cccnc2)c1 ZINC000004917710 210321850 /nfs/dbraw/zinc/32/18/50/210321850.db2.gz DWZZATVQCWJQAJ-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN Clc1cc(Cl)cc(Nc2nc3ccccc3n3cnnc23)c1 ZINC000004910393 210321587 /nfs/dbraw/zinc/32/15/87/210321587.db2.gz VEJOLLVGHZNOJN-UHFFFAOYSA-N 0 0 330.178 4.328 50 0 EIAARN COc1cc2c(cc1OC)[C@@H](c1ccc3ccccc3c1)CC(=O)N2 ZINC000004910035 210321426 /nfs/dbraw/zinc/32/14/26/210321426.db2.gz NVLQBWJDTGMWCP-MRXNPFEDSA-N 0 0 333.387 4.331 50 0 EIAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000004910263 210320344 /nfs/dbraw/zinc/32/03/44/210320344.db2.gz CTDJJVSXAQPXCB-LLVKDONJSA-N 0 0 331.799 4.066 50 0 EIAARN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(C)cc2)N1 ZINC000004904976 210319728 /nfs/dbraw/zinc/31/97/28/210319728.db2.gz VRFMZBCRZDBOJV-MRXNPFEDSA-N 0 0 342.361 4.028 50 0 EIAARN Cc1ccc(C2=NC(C)(C)N(C(=O)c3ccc(F)cc3)C2=S)cc1 ZINC000004891608 210312611 /nfs/dbraw/zinc/31/26/11/210312611.db2.gz KMOODSKDACJEHH-UHFFFAOYSA-N 0 0 340.423 4.143 50 0 EIAARN O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000004854338 210301497 /nfs/dbraw/zinc/30/14/97/210301497.db2.gz YBWJMJFPZRDGGM-LJQANCHMSA-N 0 0 341.430 4.075 50 0 EIAARN CC(C)COC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000004844772 210298267 /nfs/dbraw/zinc/29/82/67/210298267.db2.gz WTAUUVCUWFNJEV-KIXDWZFYSA-N 0 0 349.430 4.056 50 0 EIAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)Cc1ccccc1 ZINC000004865891 210305080 /nfs/dbraw/zinc/30/50/80/210305080.db2.gz ABPPJPQNQXWKBC-UHFFFAOYSA-N 0 0 343.386 4.379 50 0 EIAARN O=C(NCCc1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004844817 210297237 /nfs/dbraw/zinc/29/72/37/210297237.db2.gz ULGLZZSWLFMMRZ-QFIPXVFZSA-N 0 0 329.443 4.372 50 0 EIAARN COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000004845843 210297086 /nfs/dbraw/zinc/29/70/86/210297086.db2.gz VZQMOOTZZPUIMO-UHFFFAOYSA-N 0 0 329.355 4.159 50 0 EIAARN CCC(=O)Oc1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000004842435 210296625 /nfs/dbraw/zinc/29/66/25/210296625.db2.gz XKWDFPKEAUAACY-UHFFFAOYSA-N 0 0 348.196 4.017 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 ZINC000004839860 210294621 /nfs/dbraw/zinc/29/46/21/210294621.db2.gz ZMTATFRVBYWISR-ZDUSSCGKSA-N 0 0 328.437 4.073 50 0 EIAARN CC(C)c1nnc(CCC(=O)N2CCC[C@@H](C)c3ccccc32)o1 ZINC000097374365 219017315 /nfs/dbraw/zinc/01/73/15/219017315.db2.gz SIRXZBRCZNXIDT-CQSZACIVSA-N 0 0 327.428 4.056 50 0 EIAARN C[C@H]1CN(C(=O)c2ccccc2SCc2ccccc2)C[C@H](C)O1 ZINC000004834580 210292452 /nfs/dbraw/zinc/29/24/52/210292452.db2.gz ULLHRASTDCNIGW-HOTGVXAUSA-N 0 0 341.476 4.228 50 0 EIAARN CCc1nc(C)c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)o1 ZINC000097394520 219021816 /nfs/dbraw/zinc/02/18/16/219021816.db2.gz HAKRUHTXHJHYHU-VIFPVBQESA-N 0 0 326.318 4.055 50 0 EIAARN Cc1ccc(C(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)cc1 ZINC000004809854 210284093 /nfs/dbraw/zinc/28/40/93/210284093.db2.gz QQLVTSREXHKOTA-UHFFFAOYSA-N 0 0 328.751 4.282 50 0 EIAARN CC(C)NC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 ZINC000004810792 210283577 /nfs/dbraw/zinc/28/35/77/210283577.db2.gz HPHIPWDRPVPXKC-UHFFFAOYSA-N 0 0 331.803 4.122 50 0 EIAARN O=C(OCCOc1ccccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000097496412 219030537 /nfs/dbraw/zinc/03/05/37/219030537.db2.gz WPHDVBLOLCBWEU-NEPJUHHUSA-N 0 0 334.309 4.116 50 0 EIAARN O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12 ZINC000004785698 210278877 /nfs/dbraw/zinc/27/88/77/210278877.db2.gz LKNIJKKUVKJWHH-UHFFFAOYSA-N 0 0 332.447 4.305 50 0 EIAARN CCCCCSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000004785621 210278622 /nfs/dbraw/zinc/27/86/22/210278622.db2.gz YLWIFILEXNJLHY-UHFFFAOYSA-N 0 0 337.514 4.407 50 0 EIAARN Cc1cccc(N2C(=O)S[C@@H](Nc3cc(C)ccc3C)C2=O)c1 ZINC000004794151 210278090 /nfs/dbraw/zinc/27/80/90/210278090.db2.gz KUNMALNNBVULNY-MRXNPFEDSA-N 0 0 326.421 4.250 50 0 EIAARN Cc1ccccc1-n1c(/C=C/c2ccco2)nc2ccccc2c1=O ZINC000004785134 210278134 /nfs/dbraw/zinc/27/81/34/210278134.db2.gz LFPXDSLVNVZRBE-OUKQBFOZSA-N 0 0 328.371 4.458 50 0 EIAARN CCCOc1ccc(C(=O)Nc2c3nsnc3ccc2Cl)cc1 ZINC000004784076 210276779 /nfs/dbraw/zinc/27/67/79/210276779.db2.gz HDXVMBNSGGLDMY-UHFFFAOYSA-N 0 0 347.827 4.386 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@]2(CCCO2)CC1 ZINC000097527993 219033365 /nfs/dbraw/zinc/03/33/65/219033365.db2.gz QPKKOPAVSRDCCA-FQEVSTJZSA-N 0 0 327.424 4.225 50 0 EIAARN O=C(NCc1ccccc1Cl)c1cccc2c1-c1ccccc1C2=O ZINC000004782859 210276491 /nfs/dbraw/zinc/27/64/91/210276491.db2.gz SURFERPOUIVIOH-UHFFFAOYSA-N 0 0 347.801 4.481 50 0 EIAARN Cc1c2cc(F)ccc2[nH]c1CN(C)Cc1noc2c1CCCC2 ZINC000097546457 219034369 /nfs/dbraw/zinc/03/43/69/219034369.db2.gz IXBQWCFFULRVFM-UHFFFAOYSA-N 0 0 327.403 4.114 50 0 EIAARN COc1ccc(CNc2c(-c3ccccc3O)nc3ccccn32)cc1 ZINC000004746136 210269234 /nfs/dbraw/zinc/26/92/34/210269234.db2.gz XDUIMXRFODCPGK-UHFFFAOYSA-N 0 0 345.402 4.328 50 0 EIAARN Cc1cccn2c(CC(=O)N[C@H](C)CC(C)(C)c3ccccc3)cnc12 ZINC000097601033 219039794 /nfs/dbraw/zinc/03/97/94/219039794.db2.gz OMQIDOHWMAHHCN-QGZVFWFLSA-N 0 0 349.478 4.058 50 0 EIAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000004763533 210273518 /nfs/dbraw/zinc/27/35/18/210273518.db2.gz AQZMEAUHWOEKTM-OAHLLOKOSA-N 0 0 348.402 4.093 50 0 EIAARN Cc1ccc2[nH]c([C@H](NC(=O)N(C)CC3CCC3)C(C)C)nc2c1 ZINC000426719828 257956996 /nfs/dbraw/zinc/95/69/96/257956996.db2.gz IMRKHXLRSNXSRG-QGZVFWFLSA-N 0 0 328.460 4.010 50 0 EIAARN CCCC[C@@H]1C=CCN1C(=O)Nc1ccc(-c2nnc(C)o2)cc1 ZINC000426533753 257964532 /nfs/dbraw/zinc/96/45/32/257964532.db2.gz HCYYLPFLHKOKIX-MRXNPFEDSA-N 0 0 326.400 4.008 50 0 EIAARN COc1ccccc1Cc1noc(COc2ccc3ccccc3c2)n1 ZINC000000991598 257928311 /nfs/dbraw/zinc/92/83/11/257928311.db2.gz YVTMHPZZWNMSNA-UHFFFAOYSA-N 0 0 346.386 4.401 50 0 EIAARN CC(C)OCc1cccc(NC(=O)N[C@@H]2CCCC23CCOCC3)c1 ZINC000374389340 257930262 /nfs/dbraw/zinc/93/02/62/257930262.db2.gz MSOBERMRMKWVMN-GOSISDBHSA-N 0 0 346.471 4.082 50 0 EIAARN CSc1cccc([C@H](NCc2ncc[nH]2)c2ccc(F)c(F)c2)c1 ZINC000344756369 257931310 /nfs/dbraw/zinc/93/13/10/257931310.db2.gz IBVUKOOYSSHPHX-SFHVURJKSA-N 0 0 345.418 4.289 50 0 EIAARN CC(C)Oc1ccc(NC(=O)c2ccc3oc(=O)[nH]c3c2)cc1Cl ZINC000345243020 257931814 /nfs/dbraw/zinc/93/18/14/257931814.db2.gz NESCXZVUZOFYQA-UHFFFAOYSA-N 0 0 346.770 4.226 50 0 EIAARN COc1cc(C(=O)Oc2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000000129643 258047755 /nfs/dbraw/zinc/04/77/55/258047755.db2.gz IBHHAMGVCGEEHK-UHFFFAOYSA-N 0 0 330.380 4.055 50 0 EIAARN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000328596193 258042718 /nfs/dbraw/zinc/04/27/18/258042718.db2.gz WOKOVVHHKSGJSA-QMMMGPOBSA-N 0 0 325.195 4.015 50 0 EIAARN Cc1cc(C(=O)N2CCCC[C@H]2C(F)F)c(C)cc1Br ZINC000328589354 258044948 /nfs/dbraw/zinc/04/49/48/258044948.db2.gz PBMCTCDJFJMCJI-ZDUSSCGKSA-N 0 0 346.215 4.326 50 0 EIAARN CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C)c1C ZINC000245326511 258000241 /nfs/dbraw/zinc/00/02/41/258000241.db2.gz KYPBUMIKKBOXAK-USXIJHARSA-N 0 0 329.440 4.166 50 0 EIAARN O=C(C[C@@H]1CCCOC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000299772795 258084901 /nfs/dbraw/zinc/08/49/01/258084901.db2.gz AEYJLNRNDHKRRZ-ZDUSSCGKSA-N 0 0 333.815 4.033 50 0 EIAARN Cc1noc(C)c1-c1cccc(C(=O)N(C)[C@H](C)c2nccs2)c1 ZINC000299781699 258090224 /nfs/dbraw/zinc/09/02/24/258090224.db2.gz LTIUKOJGFJNODP-GFCCVEGCSA-N 0 0 341.436 4.248 50 0 EIAARN O=C(Nc1ccccc1OCCc1ccccn1)N1CCCCCC1 ZINC000299801615 258104985 /nfs/dbraw/zinc/10/49/85/258104985.db2.gz ZZNBQTMNVZAUFD-UHFFFAOYSA-N 0 0 339.439 4.111 50 0 EIAARN CCc1oc2c(cccc2NC(=O)NCCc2scnc2C)c1C ZINC000299802649 258105336 /nfs/dbraw/zinc/10/53/36/258105336.db2.gz UYERXUNXCRKNKG-UHFFFAOYSA-N 0 0 343.452 4.433 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(OC)c1 ZINC000000464811 258048438 /nfs/dbraw/zinc/04/84/38/258048438.db2.gz LRTDNACQPCLWHX-CYBMUJFWSA-N 0 0 342.464 4.336 50 0 EIAARN O=S(=O)(NCc1ccco1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000000465745 258048476 /nfs/dbraw/zinc/04/84/76/258048476.db2.gz PPJZLXWHSQJXDL-UHFFFAOYSA-N 0 0 347.823 4.079 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000000465258 258048604 /nfs/dbraw/zinc/04/86/04/258048604.db2.gz VBYYBXDZKLOTCZ-MRVPVSSYSA-N 0 0 345.613 4.448 50 0 EIAARN O=C1Oc2ccccc2[C@H]2ON=C(c3c(Cl)cccc3Cl)[C@H]12 ZINC000001386058 258049082 /nfs/dbraw/zinc/04/90/82/258049082.db2.gz PYWVDDLPQZNQMF-DZGCQCFKSA-N 0 0 334.158 4.004 50 0 EIAARN Cc1ccc(CSCCNC(=O)CSc2ccccc2)cc1 ZINC000002170337 258049433 /nfs/dbraw/zinc/04/94/33/258049433.db2.gz XORVITSBTREGFM-UHFFFAOYSA-N 0 0 331.506 4.137 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCO2 ZINC000003353460 258050488 /nfs/dbraw/zinc/05/04/88/258050488.db2.gz YELHVBBATKQGRW-ZIAGYGMSSA-N 0 0 340.423 4.368 50 0 EIAARN COc1ccc(NC(=O)c2ccc(Br)s2)cc1Cl ZINC000003352708 258050611 /nfs/dbraw/zinc/05/06/11/258050611.db2.gz LYZZPTWXQRVKKC-UHFFFAOYSA-N 0 0 346.633 4.425 50 0 EIAARN CCCC[C@@H](CC)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 ZINC000004553306 258051140 /nfs/dbraw/zinc/05/11/40/258051140.db2.gz DZOBKGDYCGSMHA-CQSZACIVSA-N 0 0 347.484 4.292 50 0 EIAARN O=C1CCc2cc(-c3csc(COc4ccccc4)n3)ccc2N1 ZINC000008042381 258053630 /nfs/dbraw/zinc/05/36/30/258053630.db2.gz QXHYTMRDSBLWLI-UHFFFAOYSA-N 0 0 336.416 4.274 50 0 EIAARN CCCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(C)C ZINC000011565841 258054311 /nfs/dbraw/zinc/05/43/11/258054311.db2.gz VQGCBOQDEPYCHV-UHFFFAOYSA-N 0 0 339.501 4.164 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C ZINC000011565971 258054339 /nfs/dbraw/zinc/05/43/39/258054339.db2.gz MMXAHOPEQQZQCO-UHFFFAOYSA-N 0 0 337.416 4.114 50 0 EIAARN CCc1cccc(N[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000012534277 258054625 /nfs/dbraw/zinc/05/46/25/258054625.db2.gz HRVDHPMUGRWOHC-LLVKDONJSA-N 0 0 327.453 4.337 50 0 EIAARN Cc1cc(C)n(-c2cc(C)nc3c(C)c(-c4cccc(C)c4)nn32)n1 ZINC000040216771 258059681 /nfs/dbraw/zinc/05/96/81/258059681.db2.gz AQGKRAKBYZMVBU-UHFFFAOYSA-N 0 0 331.423 4.124 50 0 EIAARN CCc1ncncc1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000056269744 258061582 /nfs/dbraw/zinc/06/15/82/258061582.db2.gz WMGSNOYXTSOXBP-UHFFFAOYSA-N 0 0 345.830 4.266 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)CCCC(=O)c1ccc(F)cc1 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MYWVLJZHGIYJKO-AWEZNQCLSA-N 0 0 338.476 4.216 50 0 EIAARN CCc1ccc(NC(=O)COc2ccccc2Br)cc1 ZINC000000141190 563242204 /nfs/dbraw/zinc/24/22/04/563242204.db2.gz JKEVLVAYFXWMLK-UHFFFAOYSA-N 0 0 334.213 4.029 50 0 EIAARN Clc1cccc(Cl)c1COc1cccc(N2CCOCC2)c1 ZINC000000141139 563242235 /nfs/dbraw/zinc/24/22/35/563242235.db2.gz WEUCIMNPWYOKRY-UHFFFAOYSA-N 0 0 338.234 4.409 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1)C1N=NC(=S)N1c1ccccc1 ZINC000000163573 563249182 /nfs/dbraw/zinc/24/91/82/563249182.db2.gz MDPQCTHZJSAQPG-LLVKDONJSA-N 0 0 331.828 4.349 50 0 EIAARN O=C1CS[C@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000000179895 563253676 /nfs/dbraw/zinc/25/36/76/563253676.db2.gz YFDZQHSDURAARR-OAHLLOKOSA-N 0 0 334.238 4.228 50 0 EIAARN Cc1nn(C(=O)c2cccnc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000000189875 563256229 /nfs/dbraw/zinc/25/62/29/563256229.db2.gz NQGMXAIUKQTWNP-UHFFFAOYSA-N 0 0 343.839 4.388 50 0 EIAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC2 ZINC000000191580 563256501 /nfs/dbraw/zinc/25/65/01/563256501.db2.gz WIXCWMHTGHEUHV-UHFFFAOYSA-N 0 0 335.325 4.212 50 0 EIAARN Cc1ccc(C)c(NCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000000196900 563258050 /nfs/dbraw/zinc/25/80/50/563258050.db2.gz BYLVOXQYRVLHNA-UHFFFAOYSA-N 0 0 349.217 4.276 50 0 EIAARN O=C(NCc1cccnc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000000200541 563258740 /nfs/dbraw/zinc/25/87/40/563258740.db2.gz XYASDGNRLRWUBY-UHFFFAOYSA-N 0 0 345.427 4.288 50 0 EIAARN Cc1cccn2cc(-c3cccc(NC(=O)Cc4ccccc4)c3)nc12 ZINC000000203141 563259102 /nfs/dbraw/zinc/25/91/02/563259102.db2.gz YRFWCNHTXPUIIS-UHFFFAOYSA-N 0 0 341.414 4.491 50 0 EIAARN Cc1cc2ncn(S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2cc1C ZINC000000204000 563259318 /nfs/dbraw/zinc/25/93/18/563259318.db2.gz MWUOMPWHOUKYGY-UHFFFAOYSA-N 0 0 342.464 4.124 50 0 EIAARN Cc1nc2sccn2c1-c1csc(Nc2cccc(O)c2)n1 ZINC000000209938 563260714 /nfs/dbraw/zinc/26/07/14/563260714.db2.gz CQZXUEPELDEJAW-UHFFFAOYSA-N 0 0 328.422 4.277 50 0 EIAARN CCOC(=O)c1sc(=S)n(-c2cccc3ccccc32)c1N ZINC000000224932 563263134 /nfs/dbraw/zinc/26/31/34/563263134.db2.gz KAJXFVMBPNLMQC-UHFFFAOYSA-N 0 0 330.434 4.180 50 0 EIAARN Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccco1 ZINC000000237452 563264107 /nfs/dbraw/zinc/26/41/07/563264107.db2.gz DLJCEGYYZLJTJM-UHFFFAOYSA-N 0 0 326.377 4.154 50 0 EIAARN Fc1ccccc1N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000000240159 563264952 /nfs/dbraw/zinc/26/49/52/563264952.db2.gz ZQMPHBHMLZIALH-UHFFFAOYSA-N 0 0 338.348 4.167 50 0 EIAARN CCc1nc2ccccc2n1C[C@H](O)COc1ccc(C(C)C)cc1 ZINC000000242923 563265286 /nfs/dbraw/zinc/26/52/86/563265286.db2.gz KGPZASWNRPVDKT-KRWDZBQOSA-N 0 0 338.451 4.162 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000000243251 563265435 /nfs/dbraw/zinc/26/54/35/563265435.db2.gz CMZDFVXFSUPBOF-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN COc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1OC ZINC000000246648 563266100 /nfs/dbraw/zinc/26/61/00/563266100.db2.gz MTANILZMPAOQAP-UHFFFAOYSA-N 0 0 328.393 4.277 50 0 EIAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(Cl)ccc2C)c1C ZINC000000253756 563267276 /nfs/dbraw/zinc/26/72/76/563267276.db2.gz IOVOIRLOISFDNZ-UHFFFAOYSA-N 0 0 334.803 4.022 50 0 aggregator EIAARN CC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000000258953 563267872 /nfs/dbraw/zinc/26/78/72/563267872.db2.gz ZFTNMESEAIJABG-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN Cc1ccccc1NC(=S)N1CCN(c2ccccc2Cl)CC1 ZINC000000271933 563269976 /nfs/dbraw/zinc/26/99/76/563269976.db2.gz FBDXJTMJDJGBLQ-UHFFFAOYSA-N 0 0 345.899 4.167 50 0 EIAARN O=C1N[C@H](c2ccccc2OCc2ccccc2)Nc2ccccc21 ZINC000000276613 563271072 /nfs/dbraw/zinc/27/10/72/563271072.db2.gz VDPSMZHUXSLURS-HXUWFJFHSA-N 0 0 330.387 4.120 50 0 EIAARN COc1ccc(OCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000000291658 563273843 /nfs/dbraw/zinc/27/38/43/563273843.db2.gz CRGVYGCCQQRDFF-UHFFFAOYSA-N 0 0 336.313 4.143 50 0 EIAARN O=C(Oc1c2ccccc2oc(=O)c1Cc1ccccc1)c1ccco1 ZINC000000302387 563275962 /nfs/dbraw/zinc/27/59/62/563275962.db2.gz KIFDMTASJJOBGB-UHFFFAOYSA-N 0 0 346.338 4.196 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000000304167 563277133 /nfs/dbraw/zinc/27/71/33/563277133.db2.gz AWKFGDYZKZTOKH-LFYBBSHMSA-N 0 0 328.799 4.340 50 0 aggregator EIAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c1 ZINC000000309023 563279471 /nfs/dbraw/zinc/27/94/71/563279471.db2.gz CYRIFYPZLCUVAU-KRWDZBQOSA-N 0 0 333.387 4.331 50 0 EIAARN CCOc1ccccc1C(=O)Nc1ccc(C)cc1Br ZINC000000311818 563281372 /nfs/dbraw/zinc/28/13/72/563281372.db2.gz UZNNDYBIRFNAAS-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN CC1(C)Cc2c(sc3ncnc(NCc4ccccc4)c23)CO1 ZINC000000319458 563284071 /nfs/dbraw/zinc/28/40/71/563284071.db2.gz KFTTXPGSOXJWCR-UHFFFAOYSA-N 0 0 325.437 4.155 50 0 EIAARN O=C(COc1cccc2ccccc21)Nc1nc2ccccc2s1 ZINC000000341361 563286244 /nfs/dbraw/zinc/28/62/44/563286244.db2.gz MGSAGDGNCMSLOL-UHFFFAOYSA-N 0 0 334.400 4.467 50 0 EIAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ncccc2C)cc1 ZINC000000351408 563289413 /nfs/dbraw/zinc/28/94/13/563289413.db2.gz WBIGSHPGSSOUPQ-UHFFFAOYSA-N 0 0 327.387 4.065 50 0 EIAARN COc1ccc(NC(=O)COc2cccc(OCCC(C)C)c2)cc1 ZINC000000351080 563289484 /nfs/dbraw/zinc/28/94/84/563289484.db2.gz SFXPQTNMLAPWEP-UHFFFAOYSA-N 0 0 343.423 4.138 50 0 EIAARN COc1ccc2nc(SC(=O)c3ccccc3F)nc(C)c2c1 ZINC000000355528 563290829 /nfs/dbraw/zinc/29/08/29/563290829.db2.gz IOWLJVZBIJIKAB-UHFFFAOYSA-N 0 0 328.368 4.018 50 0 EIAARN CCc1ccc(OC(=O)COc2ccc(C)cc2)c(Br)c1 ZINC000000358948 563291875 /nfs/dbraw/zinc/29/18/75/563291875.db2.gz CMDGRBRRAWLLLK-UHFFFAOYSA-N 0 0 349.224 4.304 50 0 EIAARN O=C(Oc1ccc(Br)cc1Cl)c1ccc(F)cc1 ZINC000000358975 563292264 /nfs/dbraw/zinc/29/22/64/563292264.db2.gz GLGQCDPFPPDLSA-UHFFFAOYSA-N 0 0 329.552 4.461 50 0 EIAARN COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000000366328 563296639 /nfs/dbraw/zinc/29/66/39/563296639.db2.gz FLNWSUUTXOMSMN-UHFFFAOYSA-N 0 0 333.815 4.319 50 0 EIAARN Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)c1 ZINC000000369184 563297316 /nfs/dbraw/zinc/29/73/16/563297316.db2.gz SHPWLVJLQVJYDE-UHFFFAOYSA-N 0 0 342.464 4.067 50 0 EIAARN Cc1ccccc1SCC1N=NC(=S)N1Cc1ccccc1 ZINC000000381956 563300062 /nfs/dbraw/zinc/30/00/62/563300062.db2.gz DPURKJKBWFERDJ-UHFFFAOYSA-N 0 0 327.478 4.216 50 0 EIAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000000381800 563300070 /nfs/dbraw/zinc/30/00/70/563300070.db2.gz CVNMXIDZNSQPGG-UHFFFAOYSA-N 0 0 325.437 4.165 50 0 EIAARN CCCC(=O)Nc1ccccc1NC(=O)c1cc(Cl)ccc1OC ZINC000000382610 563300327 /nfs/dbraw/zinc/30/03/27/563300327.db2.gz PUNPRIGLSZEBNA-UHFFFAOYSA-N 0 0 346.814 4.340 50 0 EIAARN Cc1c(C(=O)N(C)c2ccc(Cl)cc2C)cnn1-c1ccccc1 ZINC000000385382 563302223 /nfs/dbraw/zinc/30/22/23/563302223.db2.gz HGKIGTCQLZGJBF-UHFFFAOYSA-N 0 0 339.826 4.419 50 0 EIAARN O=c1c(SCc2ccccc2)c(Cl)cnn1-c1ccccc1 ZINC000000385732 563302587 /nfs/dbraw/zinc/30/25/87/563302587.db2.gz IEJLTXOITMZHML-UHFFFAOYSA-N 0 0 328.824 4.178 50 0 EIAARN O=C(COc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000000386250 563302838 /nfs/dbraw/zinc/30/28/38/563302838.db2.gz HRLFEWOQSNSEPK-UHFFFAOYSA-N 0 0 329.705 4.376 50 0 EIAARN Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000000387145 563303182 /nfs/dbraw/zinc/30/31/82/563303182.db2.gz GHDOOYGJEYIRQF-INIZCTEOSA-N 0 0 329.465 4.225 50 0 EIAARN CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC(C)=O ZINC000000409406 563308011 /nfs/dbraw/zinc/30/80/11/563308011.db2.gz LIXMHCHSXSILBY-UHFFFAOYSA-N 0 0 331.966 4.151 50 0 EIAARN Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000000413859 563308292 /nfs/dbraw/zinc/30/82/92/563308292.db2.gz PTVVWRJMBPLEFN-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000000427671 563310749 /nfs/dbraw/zinc/31/07/49/563310749.db2.gz XFVXFDRNKKNYAA-GFCCVEGCSA-N 0 0 331.799 4.066 50 0 EIAARN Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccc(C)cc1)C2 ZINC000000427721 563310810 /nfs/dbraw/zinc/31/08/10/563310810.db2.gz VXCDPSOOJALPSG-HNNXBMFYSA-N 0 0 325.408 4.109 50 0 EIAARN COc1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000433000 563311483 /nfs/dbraw/zinc/31/14/83/563311483.db2.gz GQOZVJOZYHYINO-UHFFFAOYSA-N 0 0 348.402 4.456 50 0 EIAARN COc1ccc(NC(=O)COc2ccccc2Cl)cc1Cl ZINC000000436006 563312849 /nfs/dbraw/zinc/31/28/49/563312849.db2.gz ZLFPQVZJKOLLST-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN O=C(Cc1ccc(Br)cc1)Nc1nc2ccccc2s1 ZINC000000442171 563314453 /nfs/dbraw/zinc/31/44/53/563314453.db2.gz PMADAXDVJKZMIF-UHFFFAOYSA-N 0 0 347.237 4.240 50 0 EIAARN CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC ZINC000000445469 563317041 /nfs/dbraw/zinc/31/70/41/563317041.db2.gz NOGFRUKCBJDDLU-UHFFFAOYSA-N 0 0 343.423 4.443 50 0 EIAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1c(C)cccc1C ZINC000000452852 563321684 /nfs/dbraw/zinc/32/16/84/563321684.db2.gz CVEFDRNAXBTMLU-UHFFFAOYSA-N 0 0 338.432 4.485 50 0 EIAARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1Cl ZINC000000453449 563322008 /nfs/dbraw/zinc/32/20/08/563322008.db2.gz JYARWOCDTXUWMR-UHFFFAOYSA-N 0 0 348.855 4.174 50 0 EIAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)c1 ZINC000000453999 563322666 /nfs/dbraw/zinc/32/26/66/563322666.db2.gz GLSABRXIGDQOHT-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccccc1F ZINC000000453992 563322700 /nfs/dbraw/zinc/32/27/00/563322700.db2.gz AWDNMPVKKHGYLZ-UHFFFAOYSA-N 0 0 328.368 4.007 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1 ZINC000000456051 563323992 /nfs/dbraw/zinc/32/39/92/563323992.db2.gz FPKFCNMVFCWMQH-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(C)c2)c1 ZINC000000456721 563324610 /nfs/dbraw/zinc/32/46/10/563324610.db2.gz LHBNHNPVFNCZLL-ZDUSSCGKSA-N 0 0 342.464 4.341 50 0 EIAARN CSc1nc2sc3c(c2c2nncn21)CC[C@@H](C(C)(C)C)C3 ZINC000000458815 563325459 /nfs/dbraw/zinc/32/54/59/563325459.db2.gz INCVBNZZXVBJKS-SECBINFHSA-N 0 0 332.498 4.212 50 0 EIAARN COc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000000460478 563326103 /nfs/dbraw/zinc/32/61/03/563326103.db2.gz COCNHJKIJDCRQA-FMIVXFBMSA-N 0 0 335.447 4.190 50 0 EIAARN Cc1cc(C(=O)OC(C)C)c(NC(=O)CSc2ccccc2)s1 ZINC000000461350 563326576 /nfs/dbraw/zinc/32/65/76/563326576.db2.gz WYRGQVMRXIGGEF-UHFFFAOYSA-N 0 0 349.477 4.353 50 0 EIAARN CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000000463147 563327410 /nfs/dbraw/zinc/32/74/10/563327410.db2.gz LQODJMHXTIXKSN-ZDUSSCGKSA-N 0 0 333.815 4.453 50 0 EIAARN CCOc1ccccc1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000000467051 563328785 /nfs/dbraw/zinc/32/87/85/563328785.db2.gz PHGFTQWRCVFLLO-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c1 ZINC000000468437 563329626 /nfs/dbraw/zinc/32/96/26/563329626.db2.gz XPHNOADKFMZYTH-UHFFFAOYSA-N 0 0 326.377 4.154 50 0 EIAARN Cc1cc(C)nc(N(C#N)[C@H](C(=O)c2ccccc2)c2ccccc2)n1 ZINC000000471029 563331319 /nfs/dbraw/zinc/33/13/19/563331319.db2.gz AOFKMNAZVCVSNX-IBGZPJMESA-N 0 0 342.402 4.005 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Br)cc1 ZINC000000470942 563331323 /nfs/dbraw/zinc/33/13/23/563331323.db2.gz XDXOOKATNDGUSI-FZMZJTMJSA-N 0 0 342.302 4.236 50 0 EIAARN CCCC(=O)Nc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1 ZINC000000471843 563331976 /nfs/dbraw/zinc/33/19/76/563331976.db2.gz WLCQMULIYMKSKI-GOSISDBHSA-N 0 0 340.423 4.221 50 0 EIAARN Cc1ccc(C(=O)COC(=O)c2cc(Cl)nc3ccccc32)cc1 ZINC000000482224 563336738 /nfs/dbraw/zinc/33/67/38/563336738.db2.gz WLIJMVFRNBCIGF-UHFFFAOYSA-N 0 0 339.778 4.236 50 0 EIAARN Cn1c2ccccc2nc1CC(O)(c1ccccc1)c1ccccc1 ZINC000000499752 563339008 /nfs/dbraw/zinc/33/90/08/563339008.db2.gz PAZTZBSCQOVZSR-UHFFFAOYSA-N 0 0 328.415 4.052 50 0 EIAARN CC1(C)C[C@H](N(Cc2cccs2)C(=O)c2ccc(F)cc2)CCO1 ZINC000000520515 563340460 /nfs/dbraw/zinc/34/04/60/563340460.db2.gz GOFJTJLZOBIDNW-MRXNPFEDSA-N 0 0 347.455 4.487 50 0 EIAARN CSc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000000528946 563342001 /nfs/dbraw/zinc/34/20/01/563342001.db2.gz HRFUFNNJDIQBSW-UHFFFAOYSA-N 0 0 329.446 4.363 50 0 EIAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000000578761 563350989 /nfs/dbraw/zinc/35/09/89/563350989.db2.gz CGRPPOKPXJMDMS-UHFFFAOYSA-N 0 0 345.354 4.207 50 0 EIAARN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)C1CCCCC1 ZINC000000586788 563351821 /nfs/dbraw/zinc/35/18/21/563351821.db2.gz FRJCGJPVLCLJKQ-UHFFFAOYSA-N 0 0 331.268 4.387 50 0 EIAARN Cc1c(OCc2c(F)cccc2F)ccc2c3c(c(=O)oc12)CCC3 ZINC000000610052 563353432 /nfs/dbraw/zinc/35/34/32/563353432.db2.gz TZFAMGHXTKOOOO-UHFFFAOYSA-N 0 0 342.341 4.447 50 0 EIAARN COc1ccc(NC(=S)N2CCCc3cc(C)ccc32)cc1OC ZINC000000611321 563354339 /nfs/dbraw/zinc/35/43/39/563354339.db2.gz NPFOVFVXJVVJQP-UHFFFAOYSA-N 0 0 342.464 4.162 50 0 EIAARN O=C(NCc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000000613681 563356434 /nfs/dbraw/zinc/35/64/34/563356434.db2.gz RZDRDZUWAQVMHI-UHFFFAOYSA-N 0 0 348.185 4.030 50 0 EIAARN Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000000614184 563357116 /nfs/dbraw/zinc/35/71/16/563357116.db2.gz UFPJXDITXAXWHI-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN CCCC(=O)Nc1ccccc1NC(=O)CSc1ccc(C)cc1 ZINC000000615792 563358128 /nfs/dbraw/zinc/35/81/28/563358128.db2.gz XEDMIMVRISGJMA-UHFFFAOYSA-N 0 0 342.464 4.464 50 0 EIAARN COc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000000616683 563358496 /nfs/dbraw/zinc/35/84/96/563358496.db2.gz DKNBYZMNZIGGNT-UHFFFAOYSA-N 0 0 346.386 4.200 50 0 EIAARN Cc1ccc(SCc2nnc(NC(=O)c3cccs3)s2)cc1 ZINC000000618286 563359947 /nfs/dbraw/zinc/35/99/47/563359947.db2.gz NDZNSRFFWWCCDA-UHFFFAOYSA-N 0 0 347.490 4.453 50 0 EIAARN Cc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 ZINC000000619916 563361381 /nfs/dbraw/zinc/36/13/81/563361381.db2.gz YALKBLTUCABUDG-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)N(C)Cc2ccccc2)c1C ZINC000000620434 563361688 /nfs/dbraw/zinc/36/16/88/563361688.db2.gz IVVPZXIMXISMDU-UHFFFAOYSA-N 0 0 345.508 4.422 50 0 EIAARN O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000000781732 563363490 /nfs/dbraw/zinc/36/34/90/563363490.db2.gz UNKMZKKOBVMCDR-UHFFFAOYSA-N 0 0 334.375 4.103 50 0 EIAARN Cc1ccc(-c2nnc(-c3ccccc3)nc2N2CCSCC2)cc1 ZINC000000978231 563367082 /nfs/dbraw/zinc/36/70/82/563367082.db2.gz VBTKPNRTSCACGU-UHFFFAOYSA-N 0 0 348.475 4.067 50 0 EIAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000001015230 563368629 /nfs/dbraw/zinc/36/86/29/563368629.db2.gz TXCWHOJGGHVUDW-UHFFFAOYSA-N 0 0 333.313 4.002 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000001034068 563369653 /nfs/dbraw/zinc/36/96/53/563369653.db2.gz MHOSSFGWJVTYKI-UHFFFAOYSA-N 0 0 345.708 4.406 50 0 EIAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000001053895 563370845 /nfs/dbraw/zinc/37/08/45/563370845.db2.gz LQRPIICKPQJNEI-UHFFFAOYSA-N 0 0 343.688 4.340 50 0 EIAARN Cc1ncc(CN(C)C(=O)CCc2ccc(C(F)(F)F)cc2)s1 ZINC000071884193 563379618 /nfs/dbraw/zinc/37/96/18/563379618.db2.gz HBBMLMVCUDFLAQ-UHFFFAOYSA-N 0 0 342.386 4.062 50 0 EIAARN O=C(Cc1cccs1)Nc1ccccc1NC(=O)[C@@H]1CC=CCC1 ZINC000071884300 563379832 /nfs/dbraw/zinc/37/98/32/563379832.db2.gz UEDDLANIOCCCNX-CQSZACIVSA-N 0 0 340.448 4.224 50 0 EIAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)C1CCC1 ZINC000001236200 563381074 /nfs/dbraw/zinc/38/10/74/563381074.db2.gz XRGNRQWQFXAVTI-UHFFFAOYSA-N 0 0 337.659 4.260 50 0 EIAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(C)cc1 ZINC000001386425 563385317 /nfs/dbraw/zinc/38/53/17/563385317.db2.gz UFTRQACCJZGXHI-UHFFFAOYSA-N 0 0 334.375 4.421 50 0 EIAARN FC(F)(F)c1cc(NCc2ccccc2)nc(-c2ccccn2)n1 ZINC000001387860 563385338 /nfs/dbraw/zinc/38/53/38/563385338.db2.gz HOPOGXURFUBCKZ-UHFFFAOYSA-N 0 0 330.313 4.170 50 0 EIAARN Fc1ccc(C2=C[C@@H](c3ccccc3Cl)n3nnnc3N2)cc1 ZINC000001813769 563413480 /nfs/dbraw/zinc/41/34/80/563413480.db2.gz ZDKMTIYUFLLFKD-HNNXBMFYSA-N 0 0 327.750 4.118 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)CCO2)OCc1coc(-c2ccccc2)n1 ZINC000071889244 563415047 /nfs/dbraw/zinc/41/50/47/563415047.db2.gz VRSCIRWCJZPROM-VQHVLOKHSA-N 0 0 347.370 4.033 50 0 EIAARN OCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000001926894 563416525 /nfs/dbraw/zinc/41/65/25/563416525.db2.gz IXQGGHHPDQESLZ-UHFFFAOYSA-N 0 0 330.815 4.041 50 0 EIAARN OCc1nc2ccccc2n1CCCCOc1ccccc1Cl ZINC000001926889 563416533 /nfs/dbraw/zinc/41/65/33/563416533.db2.gz PXIPEDNRNSCMQT-UHFFFAOYSA-N 0 0 330.815 4.041 50 0 EIAARN CCCCCCSc1nnc2c(n1)O[C@H](C)Nc1ccccc1-2 ZINC000002073883 563421378 /nfs/dbraw/zinc/42/13/78/563421378.db2.gz ISSXLKGOHYHCEL-GFCCVEGCSA-N 0 0 330.457 4.361 50 0 EIAARN O=C(OCc1cc(-c2ccccc2)no1)c1ccc2ccccc2n1 ZINC000002201109 563426636 /nfs/dbraw/zinc/42/66/36/563426636.db2.gz MGSHLXFZOSPXKQ-UHFFFAOYSA-N 0 0 330.343 4.247 50 0 EIAARN CCCCc1cc(=O)oc2c(C)c(O[C@@H]3CCCCC3=O)ccc12 ZINC000002204690 563426874 /nfs/dbraw/zinc/42/68/74/563426874.db2.gz OURGENADILWNDO-GOSISDBHSA-N 0 0 328.408 4.335 50 0 EIAARN CCOC(=O)CCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002242955 563427700 /nfs/dbraw/zinc/42/77/00/563427700.db2.gz DCTDVDJDNQPXFQ-UHFFFAOYSA-N 0 0 342.235 4.250 50 0 EIAARN O=C(c1ccc(C2OCCCO2)cc1)c1ccccc1C(F)(F)F ZINC000002517969 563437936 /nfs/dbraw/zinc/43/79/36/563437936.db2.gz QBDASSDHEKUPOU-UHFFFAOYSA-N 0 0 336.309 4.372 50 0 EIAARN S=c1nc(-c2ccccc2)n(C[C@H]2CCCO2)c2c1CCCC2 ZINC000002550725 563440918 /nfs/dbraw/zinc/44/09/18/563440918.db2.gz XILRRKJQOJWTJM-OAHLLOKOSA-N 0 0 326.465 4.337 50 0 EIAARN CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccco2)C1 ZINC000002558528 563441160 /nfs/dbraw/zinc/44/11/60/563441160.db2.gz DQGGBGSWOOCOBQ-NSHDSACASA-N 0 0 332.469 4.004 50 0 EIAARN COc1ccc(NC(=O)c2c(N)sc3c2CCCCCC3)cc1 ZINC000002558519 563441207 /nfs/dbraw/zinc/44/12/07/563441207.db2.gz FRTPGXUZIUXTGQ-UHFFFAOYSA-N 0 0 330.453 4.250 50 0 EIAARN Cn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 ZINC000002661710 563445227 /nfs/dbraw/zinc/44/52/27/563445227.db2.gz HSQIYJMQYYYHJT-UHFFFAOYSA-N 0 0 329.856 4.352 50 0 EIAARN CCOc1cccc(-c2nc(C(=O)NCc3ccccc3)cs2)c1 ZINC000034712748 563451185 /nfs/dbraw/zinc/45/11/85/563451185.db2.gz IUSIHTXVFHBUIZ-UHFFFAOYSA-N 0 0 338.432 4.139 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(Cl)c1 ZINC000002823473 563452957 /nfs/dbraw/zinc/45/29/57/563452957.db2.gz PXMXXHNOUDTDJV-UHFFFAOYSA-N 0 0 330.815 4.495 50 0 EIAARN COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000002827917 563453245 /nfs/dbraw/zinc/45/32/45/563453245.db2.gz ZVRUHBVLQNTQTR-UHFFFAOYSA-N 0 0 346.386 4.200 50 0 biogenic EIAARN Clc1ccccc1-c1nnc2c3ccccc3nc(NCC3CC3)n12 ZINC000034699864 563454697 /nfs/dbraw/zinc/45/46/97/563454697.db2.gz CJZZWRSZWUOTJD-UHFFFAOYSA-N 0 0 349.825 4.420 50 0 EIAARN Clc1ccc(OCCSc2ncccn2)c(Br)c1 ZINC000002845271 563454957 /nfs/dbraw/zinc/45/49/57/563454957.db2.gz MSVBXLUEPIYGMR-UHFFFAOYSA-N 0 0 345.649 4.064 50 0 EIAARN Cc1ccc(N2C(=O)c3ccccc3[C@@]2(O)Cc2ccccc2)cc1 ZINC000002857445 563456343 /nfs/dbraw/zinc/45/63/43/563456343.db2.gz GSUQJDDJNCUTFI-QFIPXVFZSA-N 0 0 329.399 4.043 50 0 EIAARN O=C1c2ccccc2C(=O)N1CCCSc1ccc(Cl)cc1 ZINC000002868258 563458386 /nfs/dbraw/zinc/45/83/86/563458386.db2.gz CYELPFDBWKUKKE-UHFFFAOYSA-N 0 0 331.824 4.118 50 0 EIAARN Cc1ccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000002872978 563459406 /nfs/dbraw/zinc/45/94/06/563459406.db2.gz WSTIQBKMNPULCG-UHFFFAOYSA-N 0 0 325.452 4.410 50 0 EIAARN CC(C)OCCCNC(=O)c1ccccc1CCc1ccccc1 ZINC000002880052 563460406 /nfs/dbraw/zinc/46/04/06/563460406.db2.gz ISBWFBPSENAOOL-UHFFFAOYSA-N 0 0 325.452 4.017 50 0 EIAARN CN(C)c1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000002890281 563461990 /nfs/dbraw/zinc/46/19/90/563461990.db2.gz YJQIFLJPLGHKJD-UHFFFAOYSA-N 0 0 338.520 4.383 50 0 EIAARN Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)cc3C)c2n1 ZINC000002978896 563465160 /nfs/dbraw/zinc/46/51/60/563465160.db2.gz FNJHEKKZEBUZBQ-UHFFFAOYSA-N 0 0 347.823 4.273 50 0 EIAARN C[C@H](SCc1ccccc1)C(=O)NCCSc1ccccc1 ZINC000002979915 563465692 /nfs/dbraw/zinc/46/56/92/563465692.db2.gz IZUSJUWWTPUXRU-HNNXBMFYSA-N 0 0 331.506 4.217 50 0 EIAARN CCSc1nc2ccccc2n1CC(=O)Nc1ccc(CC)cc1 ZINC000002993022 563468501 /nfs/dbraw/zinc/46/85/01/563468501.db2.gz SAEGTIUIRIKJAE-UHFFFAOYSA-N 0 0 339.464 4.349 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CC)cc2)cc1 ZINC000003002625 563469132 /nfs/dbraw/zinc/46/91/32/563469132.db2.gz RMTKZRCEAAFKNV-UHFFFAOYSA-N 0 0 340.423 4.466 50 0 EIAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000003148975 563474859 /nfs/dbraw/zinc/47/48/59/563474859.db2.gz DQQURHNJTWFSNQ-SNVBAGLBSA-N 0 0 330.236 4.033 50 0 EIAARN O=c1c2c(-c3ccco3)csc2[nH]c(=S)n1-c1ccccc1 ZINC000003289281 563478784 /nfs/dbraw/zinc/47/87/84/563478784.db2.gz YWFGYJDCCFPAJU-UHFFFAOYSA-N 0 0 326.402 4.370 50 0 EIAARN CCO/C=C1/c2ccccc2C(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000003295398 563479156 /nfs/dbraw/zinc/47/91/56/563479156.db2.gz AGWYUPVCBZBQMG-UYRXBGFRSA-N 0 0 335.403 4.374 50 0 EIAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000034794183 563479647 /nfs/dbraw/zinc/47/96/47/563479647.db2.gz CTDRESCAGGFMTM-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CCc1[nH]nc(-c2ccc(F)c(F)c2)c1NC(=O)c1cccc(F)c1 ZINC000034795678 563480281 /nfs/dbraw/zinc/48/02/81/563480281.db2.gz FNJSEVUSOAOOSN-UHFFFAOYSA-N 0 0 345.324 4.309 50 0 EIAARN CCc1[nH]nc(-c2ccccc2)c1NC(=O)c1c(F)cccc1F ZINC000034796846 563481194 /nfs/dbraw/zinc/48/11/94/563481194.db2.gz YVZVAZOXVUJVOJ-UHFFFAOYSA-N 0 0 327.334 4.170 50 0 EIAARN Cc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccc(Cl)c1 ZINC000034796814 563481196 /nfs/dbraw/zinc/48/11/96/563481196.db2.gz ARZYAYVPQKXVOS-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CCCn1nc(-c2cccc(F)c2)cc1C(=O)NCc1ccccc1 ZINC000034902792 563483892 /nfs/dbraw/zinc/48/38/92/563483892.db2.gz UMBJTZIRNBQANK-UHFFFAOYSA-N 0 0 337.398 4.029 50 0 EIAARN CCCCC(=O)Nc1c(-c2ccccc2OC)nc2cc(C)ccn21 ZINC000034912678 563484896 /nfs/dbraw/zinc/48/48/96/563484896.db2.gz VAIPVLLMIVXOFK-UHFFFAOYSA-N 0 0 337.423 4.447 50 0 EIAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)o1 ZINC000003475043 563485272 /nfs/dbraw/zinc/48/52/72/563485272.db2.gz WGDDBCULLRVBER-UHFFFAOYSA-N 0 0 345.449 4.146 50 0 EIAARN C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1nc(-c2cccnc2)cs1 ZINC000071896428 563494866 /nfs/dbraw/zinc/49/48/66/563494866.db2.gz UANDXDYUGLRDBK-LBPRGKRZSA-N 0 0 348.431 4.177 50 0 EIAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000004185465 563497251 /nfs/dbraw/zinc/49/72/51/563497251.db2.gz FLBSBKOPWWPZAZ-SNVBAGLBSA-N 0 0 327.277 4.251 50 0 EIAARN Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000071899781 563497983 /nfs/dbraw/zinc/49/79/83/563497983.db2.gz AMBIGCJMTOLXGJ-GFCCVEGCSA-N 0 0 337.379 4.221 50 0 EIAARN Cc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000004855714 563513819 /nfs/dbraw/zinc/51/38/19/563513819.db2.gz SSCPPEXRNWHJPD-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN COCCNc1cc(C(C)(C)C)nc2c(-c3ccc(C)cc3)cnn21 ZINC000005350974 563527960 /nfs/dbraw/zinc/52/79/60/563527960.db2.gz JHADCGAMCMOQGQ-UHFFFAOYSA-N 0 0 338.455 4.061 50 0 EIAARN CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cccc2ccccc21 ZINC000005481238 563534662 /nfs/dbraw/zinc/53/46/62/563534662.db2.gz JBELCXQZBQPDJY-UHFFFAOYSA-N 0 0 340.382 4.459 50 0 EIAARN CC1(C)CC(=O)c2c(nc3ccccc3c2NCc2ccccc2)C1 ZINC000005563783 563539968 /nfs/dbraw/zinc/53/99/68/563539968.db2.gz UFEQPHYISGZSKN-UHFFFAOYSA-N 0 0 330.431 4.424 50 0 EIAARN O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000005604161 563542233 /nfs/dbraw/zinc/54/22/33/563542233.db2.gz BFSIEXXLYRTAOP-UHFFFAOYSA-N 0 0 336.627 4.448 50 0 EIAARN CCN1C(=S)N=NC1c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000005679318 563545168 /nfs/dbraw/zinc/54/51/68/563545168.db2.gz PSXAOQALXBDAKI-UHFFFAOYSA-N 0 0 347.447 4.106 50 0 EIAARN FC(F)(F)c1cccc(CC2N=NC(=S)N2c2ccccc2)c1 ZINC000005687920 563545991 /nfs/dbraw/zinc/54/59/91/563545991.db2.gz AYAYMNNHDDTQDQ-UHFFFAOYSA-N 0 0 335.354 4.166 50 0 EIAARN CC(C)NC(=O)Cc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000071902443 563552594 /nfs/dbraw/zinc/55/25/94/563552594.db2.gz UAALFLMIMGCFCC-ZDUSSCGKSA-N 0 0 332.394 4.205 50 0 EIAARN CCOc1ccc(N2C(=S)N=NC2c2cccc(Cl)c2)cc1 ZINC000006176748 563560289 /nfs/dbraw/zinc/56/02/89/563560289.db2.gz ZBTXEJYGNZFVLC-UHFFFAOYSA-N 0 0 331.828 4.275 50 0 EIAARN O=C(N[C@H]1CC(=O)c2sccc21)c1ccc(Cl)cc1Cl ZINC000006321054 563564965 /nfs/dbraw/zinc/56/49/65/563564965.db2.gz SBBSYDJACJBNAS-NSHDSACASA-N 0 0 326.204 4.112 50 0 EIAARN COC1CCC(N(C)C(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 ZINC000071908557 563569212 /nfs/dbraw/zinc/56/92/12/563569212.db2.gz BLYXWSLEAFUSMJ-UHFFFAOYSA-N 0 0 344.480 4.148 50 0 EIAARN Cc1ccc(OCC(=O)O[C@@H](c2ccccc2)c2ccccn2)cc1C ZINC000042622130 563573915 /nfs/dbraw/zinc/57/39/15/563573915.db2.gz AJZZHWYRBWCQLQ-QFIPXVFZSA-N 0 0 347.414 4.410 50 0 EIAARN CC[C@H](C)c1csc(N(C)C(=O)c2cccc(-n3cccn3)c2)n1 ZINC000071909654 563575148 /nfs/dbraw/zinc/57/51/48/563575148.db2.gz WVGFNCSOXBLQNI-ZDUSSCGKSA-N 0 0 340.452 4.119 50 0 EIAARN CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000071911038 563577471 /nfs/dbraw/zinc/57/74/71/563577471.db2.gz IKHKYSYHGCEIMI-KGLIPLIRSA-N 0 0 330.815 4.264 50 0 EIAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1F ZINC000006697715 563578702 /nfs/dbraw/zinc/57/87/02/563578702.db2.gz LUJJEZMEJRYTSQ-UHFFFAOYSA-N 0 0 340.398 4.141 50 0 EIAARN CCCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000006697769 563578725 /nfs/dbraw/zinc/57/87/25/563578725.db2.gz FIIZNANDQBZHJA-UHFFFAOYSA-N 0 0 340.379 4.210 50 0 EIAARN C[C@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000006700481 563579430 /nfs/dbraw/zinc/57/94/30/563579430.db2.gz YGCOQMNWZSFBPX-JTQLQIEISA-N 0 0 334.769 4.029 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)C[C@H]2C)cc1 ZINC000006715615 563582374 /nfs/dbraw/zinc/58/23/74/563582374.db2.gz DBJQRWJKQKBEMW-OAHLLOKOSA-N 0 0 343.858 4.391 50 0 EIAARN Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1C ZINC000006737002 563584252 /nfs/dbraw/zinc/58/42/52/563584252.db2.gz FOMBJDWLPIFOOW-UHFFFAOYSA-N 0 0 349.434 4.404 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Nc1nonc1-c1cccs1 ZINC000006755212 563585301 /nfs/dbraw/zinc/58/53/01/563585301.db2.gz YPOQYIXSHSTOHE-UHFFFAOYSA-N 0 0 325.349 4.105 50 0 EIAARN Cc1cccc(C)c1NC(=O)COCc1cc(-c2cccs2)on1 ZINC000006876587 563590085 /nfs/dbraw/zinc/59/00/85/563590085.db2.gz RXOQQSKIEJGPGI-UHFFFAOYSA-N 0 0 342.420 4.175 50 0 EIAARN Cc1ccc(NC(=O)COCc2cc(-c3ccco3)on2)cc1Cl ZINC000006876679 563590140 /nfs/dbraw/zinc/59/01/40/563590140.db2.gz BBFRXBNSYWIYSH-UHFFFAOYSA-N 0 0 346.770 4.052 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCSc3ccccc32)on1 ZINC000043167641 563597133 /nfs/dbraw/zinc/59/71/33/563597133.db2.gz YGXOYZALZBINNP-GJZGRUSLSA-N 0 0 343.452 4.067 50 0 EIAARN O=C(COc1ccc(Br)cc1)Oc1ccc(Cl)cc1 ZINC000002678184 563600161 /nfs/dbraw/zinc/60/01/61/563600161.db2.gz SUQCCGAMJGYZDC-UHFFFAOYSA-N 0 0 341.588 4.087 50 0 EIAARN O=C(c1cc2ccccc2s1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268342819 563603907 /nfs/dbraw/zinc/60/39/07/563603907.db2.gz PMJZVLFVZRVJKB-LSDHHAIUSA-N 0 0 341.432 4.223 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000002714030 563606800 /nfs/dbraw/zinc/60/68/00/563606800.db2.gz SFTWKWIZGFFUKP-UHFFFAOYSA-N 0 0 330.384 4.475 50 0 EIAARN Cc1nn(C)c2nc(-c3ccc(F)cc3)cc(C(F)(F)Cl)c12 ZINC000002741155 563608656 /nfs/dbraw/zinc/60/86/56/563608656.db2.gz XKCADYWYRMVJOF-UHFFFAOYSA-N 0 0 325.721 4.371 50 0 EIAARN CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 ZINC000002746039 563611183 /nfs/dbraw/zinc/61/11/83/563611183.db2.gz DEIZAXJMPHCAMO-UHFFFAOYSA-N 0 0 333.409 4.039 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000007782218 563614401 /nfs/dbraw/zinc/61/44/01/563614401.db2.gz PTRADPVOGMZTCP-UHFFFAOYSA-N 0 0 332.709 4.470 50 0 EIAARN Cc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(C)c(C)c3)n2)c1 ZINC000002802920 563615573 /nfs/dbraw/zinc/61/55/73/563615573.db2.gz OCHMMRRPWLGAGA-UHFFFAOYSA-N 0 0 349.434 4.406 50 0 EIAARN COc1cc(C(=O)Nc2ccccc2Cl)ccc1OC(F)F ZINC000002795451 563616625 /nfs/dbraw/zinc/61/66/25/563616625.db2.gz BUOVWVCNEPQGLH-UHFFFAOYSA-N 0 0 327.714 4.202 50 0 EIAARN O=C(/C=C/c1cscn1)NC(c1cccs1)c1cccs1 ZINC000071915271 563619002 /nfs/dbraw/zinc/61/90/02/563619002.db2.gz JPJCCTKNEONGLN-AATRIKPKSA-N 0 0 332.475 4.185 50 0 EIAARN CC[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(F)cc1F ZINC000071915832 563620058 /nfs/dbraw/zinc/62/00/58/563620058.db2.gz VPIJVFLGGYUEQJ-QGZVFWFLSA-N 0 0 331.366 4.058 50 0 EIAARN CCCCCOc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008101943 563621401 /nfs/dbraw/zinc/62/14/01/563621401.db2.gz YQUSDZJJJWOAMJ-UHFFFAOYSA-N 0 0 340.423 4.466 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c2ccccc12 ZINC000008132574 563622133 /nfs/dbraw/zinc/62/21/33/563622133.db2.gz FBJIVUHGOGDFNZ-UHFFFAOYSA-N 0 0 341.432 4.266 50 0 EIAARN CC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008477688 563631221 /nfs/dbraw/zinc/63/12/21/563631221.db2.gz ADOMEJUBWXBPRM-UHFFFAOYSA-N 0 0 329.421 4.211 50 0 EIAARN CC(=O)c1cccc(NC(=S)NCCCCc2ccccc2)c1 ZINC000008682707 563634926 /nfs/dbraw/zinc/63/49/26/563634926.db2.gz ZFLRRPBWUZPYEC-UHFFFAOYSA-N 0 0 326.465 4.199 50 0 EIAARN Cc1ccc2[nH]c(CCC(=O)Nc3cccc(Cl)c3C)nc2c1 ZINC000008738104 563638007 /nfs/dbraw/zinc/63/80/07/563638007.db2.gz RCFGGMZWTJDOHF-UHFFFAOYSA-N 0 0 327.815 4.404 50 0 EIAARN CCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c2cccnc12 ZINC000032593288 563662754 /nfs/dbraw/zinc/66/27/54/563662754.db2.gz FTENDGBYSBKOKR-MDWZMJQESA-N 0 0 348.402 4.294 50 0 EIAARN CCc1sc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1C ZINC000012628671 563666093 /nfs/dbraw/zinc/66/60/93/563666093.db2.gz XKUUOPRRDJTNAD-OAHLLOKOSA-N 0 0 339.464 4.473 50 0 EIAARN Cc1cccc(NC(=O)CCC2CCN(C(=O)C3=CCCC3)CC2)c1 ZINC000012701556 563667887 /nfs/dbraw/zinc/66/78/87/563667887.db2.gz WDXVAIKTTPJCLY-UHFFFAOYSA-N 0 0 340.467 4.063 50 0 EIAARN COCc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3C)C2)o1 ZINC000012745584 563669685 /nfs/dbraw/zinc/66/96/85/563669685.db2.gz SPLHQQDIEZKLDU-QGZVFWFLSA-N 0 0 341.451 4.219 50 0 EIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC(C)CC3)c12 ZINC000012791324 563671535 /nfs/dbraw/zinc/67/15/35/563671535.db2.gz XBIIFYQGXFZOJM-UHFFFAOYSA-N 0 0 335.407 4.070 50 0 EIAARN COc1ccc(C)cc1NC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000012795935 563672667 /nfs/dbraw/zinc/67/26/67/563672667.db2.gz HDHOSPXIBULNTJ-UHFFFAOYSA-N 0 0 336.391 4.148 50 0 EIAARN O=C(Nc1ccccc1O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000032646496 563675207 /nfs/dbraw/zinc/67/52/07/563675207.db2.gz BMCFJUGWZNYSDF-UHFFFAOYSA-N 0 0 341.370 4.255 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1cccc(C)c1 ZINC000012860340 563675863 /nfs/dbraw/zinc/67/58/63/563675863.db2.gz KZJFPWCKNFVSSQ-UHFFFAOYSA-N 0 0 334.423 4.119 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1ccccc1OC[C@@H]1CCCO1 ZINC000012939936 563677817 /nfs/dbraw/zinc/67/78/17/563677817.db2.gz BFQOGMQSHCGOJV-HNNXBMFYSA-N 0 0 331.799 4.150 50 0 EIAARN COc1ccccc1[C@H](C)NC(=O)c1csc(-c2ccccc2)n1 ZINC000012983052 563681633 /nfs/dbraw/zinc/68/16/33/563681633.db2.gz YFJBOWGMXLOHQW-ZDUSSCGKSA-N 0 0 338.432 4.310 50 0 EIAARN CC[C@H]1c2ccsc2CCN1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012985251 563681986 /nfs/dbraw/zinc/68/19/86/563681986.db2.gz GUCJIVSKSFFESF-GUYCJALGSA-N 0 0 346.471 4.074 50 0 EIAARN C[C@H](NC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1)c1cccs1 ZINC000012988567 563682277 /nfs/dbraw/zinc/68/22/77/563682277.db2.gz LUKYGHGIKKMXNU-HNNXBMFYSA-N 0 0 344.524 4.355 50 0 EIAARN COc1cccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1 ZINC000012987727 563682378 /nfs/dbraw/zinc/68/23/78/563682378.db2.gz ZIRSUTIOTPFSKD-UHFFFAOYSA-N 0 0 346.386 4.347 50 0 EIAARN Cc1cccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000012999223 563684511 /nfs/dbraw/zinc/68/45/11/563684511.db2.gz UVOWKQUDDFSOFY-LJQANCHMSA-N 0 0 340.423 4.285 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)COc1cccc2c1CCC[C@H]2O ZINC000013071486 563687338 /nfs/dbraw/zinc/68/73/38/563687338.db2.gz IYLUOQKGRZJMJH-QGZVFWFLSA-N 0 0 345.826 4.036 50 0 EIAARN C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000013324302 563694671 /nfs/dbraw/zinc/69/46/71/563694671.db2.gz KJKARWKNWLOOHS-SNRMKQJTSA-N 0 0 341.476 4.204 50 0 EIAARN CCc1sc(C(=O)Nc2ncc(C)s2)cc1Br ZINC000013326744 563695236 /nfs/dbraw/zinc/69/52/36/563695236.db2.gz UQNKPGRJHOKYIK-UHFFFAOYSA-N 0 0 331.260 4.090 50 0 EIAARN Cc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000013326446 563695338 /nfs/dbraw/zinc/69/53/38/563695338.db2.gz PQOBFWBRTWQUPR-LBPRGKRZSA-N 0 0 334.213 4.164 50 0 EIAARN CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000013328836 563695976 /nfs/dbraw/zinc/69/59/76/563695976.db2.gz MPYNPWZKCAUTSH-YOEHRIQHSA-N 0 0 327.424 4.075 50 0 EIAARN Cc1nn(CCC(=O)Oc2ccc3ccccc3c2)c(C)c1Cl ZINC000013568784 563702227 /nfs/dbraw/zinc/70/22/27/563702227.db2.gz MXKHOCPVFVYCNH-UHFFFAOYSA-N 0 0 328.799 4.302 50 0 EIAARN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000013617757 563704280 /nfs/dbraw/zinc/70/42/80/563704280.db2.gz MNUIOKMATAXWBR-GZTJUZNOSA-N 0 0 339.416 4.240 50 0 EIAARN Clc1ccccc1-c1nn2c(Cc3ccccc3)nnc2s1 ZINC000013692122 563712557 /nfs/dbraw/zinc/71/25/57/563712557.db2.gz GHTZAMWSNRVANH-UHFFFAOYSA-N 0 0 326.812 4.097 50 0 EIAARN COc1ccccc1CNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000013720689 563716364 /nfs/dbraw/zinc/71/63/64/563716364.db2.gz RXUDAFJEIVUBKX-OAHLLOKOSA-N 0 0 337.419 4.298 50 0 EIAARN COc1cccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 ZINC000013727385 563719123 /nfs/dbraw/zinc/71/91/23/563719123.db2.gz ZOARZNOTYBNDMH-UHFFFAOYSA-N 0 0 336.269 4.311 50 0 EIAARN O=C(Nc1ccc2cc[nH]c2c1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000013732838 563720008 /nfs/dbraw/zinc/72/00/08/563720008.db2.gz VHOXKQYITNARKM-UHFFFAOYSA-N 0 0 344.296 4.315 50 0 EIAARN CC(C)[C@@H](NC(=O)c1cccs1)c1ccc2c(c1)OCCCO2 ZINC000032741415 563721734 /nfs/dbraw/zinc/72/17/34/563721734.db2.gz RGIPGFCSQARROS-QGZVFWFLSA-N 0 0 331.437 4.037 50 0 EIAARN CCn1c(CNc2ncnc3c4ccccc4oc32)nc2ccccc21 ZINC000032743516 563721872 /nfs/dbraw/zinc/72/18/72/563721872.db2.gz GAUVGSPRQVGVIE-UHFFFAOYSA-N 0 0 343.390 4.358 50 0 EIAARN COc1cc(NC(=O)c2cc(C)n(C3CC3)c2C)c(OC)cc1Cl ZINC000032738195 563722866 /nfs/dbraw/zinc/72/28/66/563722866.db2.gz BVJUCJCVVNYOTQ-UHFFFAOYSA-N 0 0 348.830 4.363 50 0 EIAARN COc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1OC ZINC000013820326 563725209 /nfs/dbraw/zinc/72/52/09/563725209.db2.gz VGNFEIWQVRCNAJ-CQSZACIVSA-N 0 0 344.480 4.012 50 0 EIAARN O=C(CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)Nc1ccccc1 ZINC000032777439 563728849 /nfs/dbraw/zinc/72/88/49/563728849.db2.gz OEPHQDNAOVIPRM-UHFFFAOYSA-N 0 0 348.368 4.309 50 0 EIAARN O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccccc1Cl ZINC000013892899 563728876 /nfs/dbraw/zinc/72/88/76/563728876.db2.gz NCOAQGMOCKLEQB-OQLLNIDSSA-N 0 0 345.807 4.282 50 0 EIAARN Cc1cnc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)s1 ZINC000014014003 563735259 /nfs/dbraw/zinc/73/52/59/563735259.db2.gz ZMOFSJXFWISIKE-UHFFFAOYSA-N 0 0 333.413 4.051 50 0 EIAARN Cc1cc(-c2csc(Cc3nnc4n3CCCCC4)n2)c(C)s1 ZINC000014070869 563737839 /nfs/dbraw/zinc/73/78/39/563737839.db2.gz XGLKMVIJUCSBKV-UHFFFAOYSA-N 0 0 344.509 4.397 50 0 EIAARN CC(=O)NCc1ccc(-c2nc(NCc3ccco3)sc2C)s1 ZINC000014103010 563740931 /nfs/dbraw/zinc/74/09/31/563740931.db2.gz FZULXOSCKNTSRC-UHFFFAOYSA-N 0 0 347.465 4.021 50 0 EIAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1cccc(F)c1 ZINC000014120697 563742764 /nfs/dbraw/zinc/74/27/64/563742764.db2.gz CFUCXTOHWSIHFH-UHFFFAOYSA-N 0 0 346.308 4.330 50 0 EIAARN CC1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000014118563 563742839 /nfs/dbraw/zinc/74/28/39/563742839.db2.gz MXSPJTWNXIMOTD-UHFFFAOYSA-N 0 0 346.521 4.200 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)cc1 ZINC000032800904 563744075 /nfs/dbraw/zinc/74/40/75/563744075.db2.gz YCEQUJLCTARBPT-UHFFFAOYSA-N 0 0 340.404 4.475 50 0 EIAARN O=[S@](CCOc1cccc(Cl)c1)Cc1cccc2cccnc21 ZINC000032801180 563744367 /nfs/dbraw/zinc/74/43/67/563744367.db2.gz VSBUOAFWCVUZHB-QHCPKHFHSA-N 0 0 345.851 4.216 50 0 EIAARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)no1 ZINC000014140166 563745126 /nfs/dbraw/zinc/74/51/26/563745126.db2.gz VWJWZIUSTLUQII-UHFFFAOYSA-N 0 0 349.799 4.022 50 0 EIAARN Cn1c(SCC(=O)C2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000014171141 563747141 /nfs/dbraw/zinc/74/71/41/563747141.db2.gz CVHFSNDSZKHXFQ-UHFFFAOYSA-N 0 0 349.887 4.377 50 0 EIAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000014171022 563747176 /nfs/dbraw/zinc/74/71/76/563747176.db2.gz YTQAVVSRQQIMGK-UHFFFAOYSA-N 0 0 341.338 4.294 50 0 EIAARN C[C@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000014186010 563748501 /nfs/dbraw/zinc/74/85/01/563748501.db2.gz OSHOIJDJLVSJRZ-NSHDSACASA-N 0 0 346.452 4.431 50 0 EIAARN Cc1ccc(CNC(=O)c2cccc(C)c2NC(=O)c2ccco2)cc1 ZINC000014186629 563748598 /nfs/dbraw/zinc/74/85/98/563748598.db2.gz NGJUZKLJISEPLD-UHFFFAOYSA-N 0 0 348.402 4.079 50 0 EIAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1CCC1 ZINC000014201609 563750598 /nfs/dbraw/zinc/75/05/98/563750598.db2.gz PNZUEPIBBQHDRR-UHFFFAOYSA-N 0 0 340.373 4.278 50 0 EIAARN Cc1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)Nc2cccc(C)c2C)c1C ZINC000032809584 563752056 /nfs/dbraw/zinc/75/20/56/563752056.db2.gz OTNHIRPXZZABFS-IAGOWNOFSA-N 0 0 336.435 4.134 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000014225366 563752064 /nfs/dbraw/zinc/75/20/64/563752064.db2.gz PKUDFHUDGLVXAM-UHFFFAOYSA-N 0 0 329.343 4.123 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)C1(CC(=O)NC(C)C)CCCC1 ZINC000014233516 563753203 /nfs/dbraw/zinc/75/32/03/563753203.db2.gz VOFGCSIJBGTHJF-UHFFFAOYSA-N 0 0 336.863 4.062 50 0 EIAARN CN(CCOc1ccccc1Cl)C(=O)c1ccc2ccccc2n1 ZINC000014241165 563754010 /nfs/dbraw/zinc/75/40/10/563754010.db2.gz CTXGCVIJCKCTHE-UHFFFAOYSA-N 0 0 340.810 4.039 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)c2c1 ZINC000032826913 563757145 /nfs/dbraw/zinc/75/71/45/563757145.db2.gz IJHVDVPWYFMIOT-UHFFFAOYSA-N 0 0 344.418 4.000 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)cc2C)c(OC)c1 ZINC000032820700 563757544 /nfs/dbraw/zinc/75/75/44/563757544.db2.gz IVALCJLQNGVQGS-LJQANCHMSA-N 0 0 339.435 4.298 50 0 EIAARN CC(=O)Nc1ccc(OC(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000032847804 563762288 /nfs/dbraw/zinc/76/22/88/563762288.db2.gz ODSDHVWLCNVGAP-UHFFFAOYSA-N 0 0 331.371 4.116 50 0 EIAARN COc1ccc(CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 ZINC000014700619 563763144 /nfs/dbraw/zinc/76/31/44/563763144.db2.gz CQVBHHZJJHXTIG-AWEZNQCLSA-N 0 0 327.449 4.155 50 0 EIAARN CSc1ncccc1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000032858275 563763304 /nfs/dbraw/zinc/76/33/04/563763304.db2.gz BIAHQQFODBVIBI-UHFFFAOYSA-N 0 0 326.465 4.045 50 0 EIAARN O=C(Cc1ccc(Br)cc1)Nc1cccc2ncccc21 ZINC000014791902 563764502 /nfs/dbraw/zinc/76/45/02/563764502.db2.gz KQOLDXMBESRRKN-UHFFFAOYSA-N 0 0 341.208 4.179 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2C)cc1F ZINC000032863041 563765196 /nfs/dbraw/zinc/76/51/96/563765196.db2.gz XOACXZWKKHTHDP-ZIAGYGMSSA-N 0 0 330.403 4.264 50 0 EIAARN O=C(NCCC1=CCCCC1)c1ccc(F)cc1Br ZINC000014941556 563767349 /nfs/dbraw/zinc/76/73/49/563767349.db2.gz HVSHJDAAZQUSPG-UHFFFAOYSA-N 0 0 326.209 4.209 50 0 EIAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CCc2ccccc2C1 ZINC000032873944 563771554 /nfs/dbraw/zinc/77/15/54/563771554.db2.gz MTFSIQFNKQUEQA-QGZVFWFLSA-N 0 0 342.439 4.131 50 0 EIAARN COc1cccc([C@@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)c1OC ZINC000015018068 563773366 /nfs/dbraw/zinc/77/33/66/563773366.db2.gz ZNYZKSLNUJUXPT-BKTGTZMESA-N 0 0 343.398 4.477 50 0 EIAARN Cn1c(Cl)cnc1CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000015033968 563773927 /nfs/dbraw/zinc/77/39/27/563773927.db2.gz FMRZVCIRPGEZRN-SFHVURJKSA-N 0 0 343.883 4.283 50 0 EIAARN C[C@H]1CCc2c(sc3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 ZINC000015085209 563777561 /nfs/dbraw/zinc/77/75/61/563777561.db2.gz UJBJCNMGWPCYBR-GWCFXTLKSA-N 0 0 341.432 4.076 50 0 EIAARN O=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000015096830 563777938 /nfs/dbraw/zinc/77/79/38/563777938.db2.gz DCDBLZLADZFYJV-UHFFFAOYSA-N 0 0 340.386 4.187 50 0 EIAARN Cc1ccc2c(c1)N(C)S(=O)(=O)c1cc(Cl)c(Cl)cc1O2 ZINC000015109694 563778335 /nfs/dbraw/zinc/77/83/35/563778335.db2.gz PJBWZUQVHJKJFW-UHFFFAOYSA-N 0 0 344.219 4.233 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cl)cc1OC ZINC000032895161 563780745 /nfs/dbraw/zinc/78/07/45/563780745.db2.gz PENQEIBSPYLKQI-MRXNPFEDSA-N 0 0 345.826 4.335 50 0 EIAARN CSCc1nnc(SCc2nc(-c3ccccc3)oc2C)o1 ZINC000032893188 563782780 /nfs/dbraw/zinc/78/27/80/563782780.db2.gz LNSJQRUCPWEXMI-UHFFFAOYSA-N 0 0 333.438 4.188 50 0 EIAARN Cc1nc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)sc1C ZINC000015356173 563783504 /nfs/dbraw/zinc/78/35/04/563783504.db2.gz MIHJKOLHDAFCPB-UHFFFAOYSA-N 0 0 338.436 4.075 50 0 EIAARN COc1ccc([C@H]2CCCN2Cc2cc(F)ccc2OC)c(OC)c1 ZINC000015367108 563783943 /nfs/dbraw/zinc/78/39/43/563783943.db2.gz FEOJNZMEHAYNIL-GOSISDBHSA-N 0 0 345.414 4.189 50 0 EIAARN O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)Nc1cccnc1 ZINC000015435924 563784241 /nfs/dbraw/zinc/78/42/41/563784241.db2.gz KOQDQXBDDRXYCZ-ZZXKWVIFSA-N 0 0 326.705 4.406 50 0 EIAARN O=c1cnn(Cc2ccccc2Oc2ccccc2)c2ccccc12 ZINC000015519998 563786135 /nfs/dbraw/zinc/78/61/35/563786135.db2.gz MEONZKVGWSTAIF-UHFFFAOYSA-N 0 0 328.371 4.237 50 0 EIAARN Cc1c(C(=O)Nc2ccccc2F)cnn1-c1ccc(Cl)cc1 ZINC000032901292 563786978 /nfs/dbraw/zinc/78/69/78/563786978.db2.gz LRASUIRKKZFMOW-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN COc1ccc(OC)c([C@H]2CCCN2C(=S)Nc2ccccc2)c1 ZINC000015590171 563787980 /nfs/dbraw/zinc/78/79/80/563787980.db2.gz YPYIJFIFYFGMOM-QGZVFWFLSA-N 0 0 342.464 4.238 50 0 EIAARN CCOC(=O)Nc1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000015607453 563788373 /nfs/dbraw/zinc/78/83/73/563788373.db2.gz WIGOCYXTXJVUBW-UHFFFAOYSA-N 0 0 347.440 4.261 50 0 EIAARN COc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)no2)cc1 ZINC000015669813 563789995 /nfs/dbraw/zinc/78/99/95/563789995.db2.gz HZOMUNTWGIOHQC-UHFFFAOYSA-N 0 0 329.739 4.223 50 0 EIAARN O=C(Nc1cc(-c2cccc(Cl)c2)no1)c1noc2c1CCCC2 ZINC000015726856 563791385 /nfs/dbraw/zinc/79/13/85/563791385.db2.gz VFUWYKBBDNXFAG-UHFFFAOYSA-N 0 0 343.770 4.114 50 0 EIAARN COc1ccc(/C=C2/SC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000015774268 563792262 /nfs/dbraw/zinc/79/22/62/563792262.db2.gz NOBIKRMHAAKCIX-LFIBNONCSA-N 0 0 325.389 4.245 50 0 EIAARN CCOc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1 ZINC000015832395 563793417 /nfs/dbraw/zinc/79/34/17/563793417.db2.gz SWBDYMKKTYUXEM-UHFFFAOYSA-N 0 0 338.432 4.139 50 0 EIAARN COc1ccc(-c2nc(CNC(=O)c3ccccc3C)cs2)cc1 ZINC000015832632 563793628 /nfs/dbraw/zinc/79/36/28/563793628.db2.gz ULVRCJXFZYRVIV-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN COc1ccc(-c2nc(CNC(=O)c3cccc(C)c3)cs2)cc1 ZINC000015832630 563793644 /nfs/dbraw/zinc/79/36/44/563793644.db2.gz UPHYUJVMXDYYBZ-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN Cc1ccc(C)c([C@@H](NC(=O)Cc2ccccc2)c2cccnc2)c1 ZINC000015839881 563795051 /nfs/dbraw/zinc/79/50/51/563795051.db2.gz PCSXICKXDIAFCQ-QFIPXVFZSA-N 0 0 330.431 4.147 50 0 EIAARN O=C(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1cccnc1 ZINC000032905889 563795554 /nfs/dbraw/zinc/79/55/54/563795554.db2.gz LKZLXENFOZZZFX-UHFFFAOYSA-N 0 0 326.783 4.171 50 0 EIAARN O=C(Nc1ccc2nsnc2c1)C(c1ccccc1)c1ccccc1 ZINC000015841324 563796193 /nfs/dbraw/zinc/79/61/93/563796193.db2.gz WWJCXVINWCJQNH-UHFFFAOYSA-N 0 0 345.427 4.462 50 0 EIAARN CCCCOc1ccccc1C(=O)Nc1ccc2nsnc2c1 ZINC000015841316 563796259 /nfs/dbraw/zinc/79/62/59/563796259.db2.gz RSSJZUZSVQGVIS-UHFFFAOYSA-N 0 0 327.409 4.123 50 0 EIAARN O=S(=O)(c1ccccc1F)N1CCCCC[C@@H]1c1cccs1 ZINC000015866829 563797856 /nfs/dbraw/zinc/79/78/56/563797856.db2.gz ZWVXTBKOFBAUFV-CQSZACIVSA-N 0 0 339.457 4.193 50 0 EIAARN Cc1ccc(NC(=O)c2ccco2)c(NC(=O)/C=C\c2ccccc2)c1 ZINC000016285769 563807874 /nfs/dbraw/zinc/80/78/74/563807874.db2.gz WFYLVYPGNRXZIM-BENRWUELSA-N 0 0 346.386 4.492 50 0 EIAARN CCC(C)(C)NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000016384500 563810134 /nfs/dbraw/zinc/81/01/34/563810134.db2.gz VVOQRNOZFLLFEU-KRWDZBQOSA-N 0 0 348.537 4.062 50 0 EIAARN CCCOc1ccccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000032914432 563811242 /nfs/dbraw/zinc/81/12/42/563811242.db2.gz SPWRTEMDDFSHRN-UHFFFAOYSA-N 0 0 339.370 4.053 50 0 EIAARN CCc1ccc2c(Cl)c(C(=O)NCCCn3ccnc3)sc2c1 ZINC000016604524 563817031 /nfs/dbraw/zinc/81/70/31/563817031.db2.gz UATRFEFKNDHYHG-UHFFFAOYSA-N 0 0 347.871 4.134 50 0 EIAARN CCOc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1O ZINC000016677446 563820227 /nfs/dbraw/zinc/82/02/27/563820227.db2.gz CSPYLAZFKCBHQV-PTNGSMBKSA-N 0 0 341.388 4.032 50 0 EIAARN COc1ccc(-c2ccc(CCC(=O)N3CCc4ccccc43)o2)cc1 ZINC000016705840 563821436 /nfs/dbraw/zinc/82/14/36/563821436.db2.gz VUZMUWUGRKYPKX-UHFFFAOYSA-N 0 0 347.414 4.477 50 0 EIAARN CCc1ccc2occ(CC(=O)Nc3ccc(NC(C)=O)cc3)c2c1 ZINC000016742646 563822205 /nfs/dbraw/zinc/82/22/05/563822205.db2.gz DYXGVHDSEZODKA-UHFFFAOYSA-N 0 0 336.391 4.135 50 0 EIAARN CC(C)CCNc1nc(-c2cc3c4c(c2)CCCN4C(=O)C3)cs1 ZINC000016939716 563826541 /nfs/dbraw/zinc/82/65/41/563826541.db2.gz RWFYAOXXQYQCFD-UHFFFAOYSA-N 0 0 341.480 4.103 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)s2)cc1 ZINC000017059009 563830667 /nfs/dbraw/zinc/83/06/67/563830667.db2.gz FEDJNUVNECEMCN-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Nc1sc2c(c1C(=O)Nc1ccc(Cl)c(Cl)c1)CCC2 ZINC000017066924 563831111 /nfs/dbraw/zinc/83/11/11/563831111.db2.gz GJPCEJVOQBDFKN-UHFFFAOYSA-N 0 0 327.236 4.378 50 0 EIAARN Cc1nc2ccccc2n1CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000017144173 563838482 /nfs/dbraw/zinc/83/84/82/563838482.db2.gz KDCAQRDXPYKWAM-UHFFFAOYSA-N 0 0 338.798 4.291 50 0 EIAARN O=C(Nc1nnc(/C=C/c2ccccc2)s1)Nc1ccccc1F ZINC000017145709 563838547 /nfs/dbraw/zinc/83/85/47/563838547.db2.gz RVYWNDFFSFAESU-ZHACJKMWSA-N 0 0 340.383 4.492 50 0 EIAARN Cc1cc(N(C)C)ccc1NC(=O)c1csc(Br)c1 ZINC000032931486 563841625 /nfs/dbraw/zinc/84/16/25/563841625.db2.gz PIPBPEYAQLTCTF-UHFFFAOYSA-N 0 0 339.258 4.137 50 0 EIAARN O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc(F)cc1Cl ZINC000032930793 563841678 /nfs/dbraw/zinc/84/16/78/563841678.db2.gz NQVOBXGWJQETPK-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN Cc1ccc(-c2nn(CN([C@@H](C)C(C)C)C3CC3)c(=S)[nH]2)cc1 ZINC000032932602 563843075 /nfs/dbraw/zinc/84/30/75/563843075.db2.gz LRIIFTQJJFJGSG-AWEZNQCLSA-N 0 0 330.501 4.383 50 0 EIAARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2ncccc2c1 ZINC000032936370 563845103 /nfs/dbraw/zinc/84/51/03/563845103.db2.gz GGLZOTIANWPJFD-FQEVSTJZSA-N 0 0 333.366 4.072 50 0 EIAARN Cc1n[nH]c(C)c1NC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000032936952 563845234 /nfs/dbraw/zinc/84/52/34/563845234.db2.gz IOVXVWOFMNIDNO-UHFFFAOYSA-N 0 0 348.450 4.370 50 0 EIAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000017986678 563846660 /nfs/dbraw/zinc/84/66/60/563846660.db2.gz KBSWKXKTLUQVDA-MDASCCDHSA-N 0 0 335.403 4.405 50 0 EIAARN CCOc1ccc(NC(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000018059901 563847490 /nfs/dbraw/zinc/84/74/90/563847490.db2.gz WVQSKJGDQZTXAO-UHFFFAOYSA-N 0 0 340.408 4.248 50 0 EIAARN CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OC(C)=O ZINC000001001131 563852604 /nfs/dbraw/zinc/85/26/04/563852604.db2.gz ULXUKXASBGVHLN-WOJGMQOQSA-N 0 0 340.400 4.340 50 0 EIAARN Cc1ccccc1CN(C)C(=O)CN(C)[C@@H](C)c1ccccc1Cl ZINC000071954397 563854476 /nfs/dbraw/zinc/85/44/76/563854476.db2.gz ZINWHTRMBABYGB-INIZCTEOSA-N 0 0 344.886 4.300 50 0 EIAARN CC(C)CCNC(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1 ZINC000065320203 563856966 /nfs/dbraw/zinc/85/69/66/563856966.db2.gz SUSOUQZVMBXZJU-UHFFFAOYSA-N 0 0 344.434 4.142 50 0 EIAARN O=c1cc(CNc2ccc(-c3ccccc3)cc2)nc2sccn21 ZINC000043304996 563862590 /nfs/dbraw/zinc/86/25/90/563862590.db2.gz IKMXZQXUTZEYJW-UHFFFAOYSA-N 0 0 333.416 4.035 50 0 EIAARN O=C(CCc1ccccc1Cl)NCc1ccccc1OC(F)F ZINC000022374495 563862962 /nfs/dbraw/zinc/86/29/62/563862962.db2.gz UYQOCKCIMOGXQT-UHFFFAOYSA-N 0 0 339.769 4.190 50 0 EIAARN O=C(c1ccc(COc2ccccc2)o1)N1CCCc2ccccc21 ZINC000023654942 563867204 /nfs/dbraw/zinc/86/72/04/563867204.db2.gz HWLZXDOKCOSUJO-UHFFFAOYSA-N 0 0 333.387 4.452 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCOCC1 ZINC000024637655 563873454 /nfs/dbraw/zinc/87/34/54/563873454.db2.gz RPONAJVLIITXCA-UHFFFAOYSA-N 0 0 342.464 4.054 50 0 EIAARN Cc1ccc2cc(C(=O)Nc3cccc(-c4nnco4)c3)c(C)nc2c1 ZINC000024741610 563874770 /nfs/dbraw/zinc/87/47/70/563874770.db2.gz DYDZSMMSQFRXMB-UHFFFAOYSA-N 0 0 344.374 4.154 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccc(F)cc1 ZINC000024752726 563875074 /nfs/dbraw/zinc/87/50/74/563875074.db2.gz OODCJQKRTMAXLD-UHFFFAOYSA-N 0 0 334.394 4.468 50 0 EIAARN CCCSc1nsc(NC(=O)CSc2ccc(C)cc2)n1 ZINC000024774141 563875502 /nfs/dbraw/zinc/87/55/02/563875502.db2.gz CEFBHDLIQFVDFH-UHFFFAOYSA-N 0 0 339.511 4.079 50 0 EIAARN CC(=O)Nc1nc(CN(C)Cc2cccc(Cl)c2Cl)cs1 ZINC000024816426 563876031 /nfs/dbraw/zinc/87/60/31/563876031.db2.gz MWYLFXGLMYTDFT-UHFFFAOYSA-N 0 0 344.267 4.040 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000024965258 563878476 /nfs/dbraw/zinc/87/84/76/563878476.db2.gz FGBBPNSQPGFCQO-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000024987444 563879201 /nfs/dbraw/zinc/87/92/01/563879201.db2.gz OXKHFJXCCPQAIR-ZIAGYGMSSA-N 0 0 346.858 4.432 50 0 EIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3c(C)cccc3C)c12 ZINC000025051220 563880304 /nfs/dbraw/zinc/88/03/04/563880304.db2.gz SVGSUUTVFGKEAI-UHFFFAOYSA-N 0 0 336.439 4.269 50 0 EIAARN CC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000025131671 563881287 /nfs/dbraw/zinc/88/12/87/563881287.db2.gz QWJZYSYXNAKGPT-MRXNPFEDSA-N 0 0 342.464 4.405 50 0 EIAARN Cc1cc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)no1 ZINC000025251324 563882616 /nfs/dbraw/zinc/88/26/16/563882616.db2.gz NULMFCMIZVVTBB-SFHVURJKSA-N 0 0 333.391 4.163 50 0 EIAARN C[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)c1cc2ccccc2o1 ZINC000025410415 563884363 /nfs/dbraw/zinc/88/43/63/563884363.db2.gz SQQDNUAZRAQYGL-HZPDHXFCSA-N 0 0 348.446 4.057 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043485850 563884378 /nfs/dbraw/zinc/88/43/78/563884378.db2.gz BJPGKNRNHODQCT-DLBZAZTESA-N 0 0 327.472 4.331 50 0 EIAARN Cc1c(C(=O)N2c3ccccc3C[C@H]2C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000025470224 563885135 /nfs/dbraw/zinc/88/51/35/563885135.db2.gz NBAYLJLPBUZJKW-GFCCVEGCSA-N 0 0 336.435 4.070 50 0 EIAARN CC(=O)Nc1ccc(CC(=O)O[C@@H](C)c2ccccc2Cl)cc1 ZINC000025624325 563886763 /nfs/dbraw/zinc/88/67/63/563886763.db2.gz MTBQPTCJASANLC-LBPRGKRZSA-N 0 0 331.799 4.145 50 0 EIAARN C[C@@H]1CN([C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)C[C@@H](C)O1 ZINC000025665854 563887041 /nfs/dbraw/zinc/88/70/41/563887041.db2.gz MDZVDOLYUVELRM-ZOCZFRKYSA-N 0 0 348.446 4.201 50 0 EIAARN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000025692636 563887454 /nfs/dbraw/zinc/88/74/54/563887454.db2.gz NPEUOOJCDCSIKQ-CABCVRRESA-N 0 0 337.423 4.465 50 0 EIAARN C[C@H](NC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1ccccn1 ZINC000026184231 563890183 /nfs/dbraw/zinc/89/01/83/563890183.db2.gz VUBBMOLOCAQSIO-NHYWBVRUSA-N 0 0 347.871 4.332 50 0 EIAARN O=C(CSCc1ccccc1Cl)Nc1ccc(Cl)cn1 ZINC000026860852 563893377 /nfs/dbraw/zinc/89/33/77/563893377.db2.gz DZGCQVIIZQKVKO-UHFFFAOYSA-N 0 0 327.236 4.260 50 0 EIAARN C[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccncc1 ZINC000027405478 563895812 /nfs/dbraw/zinc/89/58/12/563895812.db2.gz HXFFNVGLTVSPTL-KRWDZBQOSA-N 0 0 346.430 4.065 50 0 EIAARN COc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2nc(C)cs2)cc1 ZINC000072271461 563896187 /nfs/dbraw/zinc/89/61/87/563896187.db2.gz TXDBEYKKWRXSBO-RHSMWYFYSA-N 0 0 344.480 4.317 50 0 EIAARN O=C(C1=Cc2ccccc2OC1)N(Cc1ccco1)Cc1ccccc1 ZINC000027545239 563896594 /nfs/dbraw/zinc/89/65/94/563896594.db2.gz QKSGXUBWHAJZDC-UHFFFAOYSA-N 0 0 345.398 4.284 50 0 EIAARN c1ccc(-c2noc3ncc(-c4nnc(-c5cccnc5)o4)cc32)cc1 ZINC000072271716 563896673 /nfs/dbraw/zinc/89/66/73/563896673.db2.gz MRZXBUJRSSVQNJ-UHFFFAOYSA-N 0 0 341.330 4.002 50 0 EIAARN O=S(=O)(c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000027562093 563896702 /nfs/dbraw/zinc/89/67/02/563896702.db2.gz FBPXIPBEGVEVFB-UHFFFAOYSA-N 0 0 335.837 4.296 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)c1 ZINC000027580850 563896882 /nfs/dbraw/zinc/89/68/82/563896882.db2.gz JPMGRVDDTUCLMO-UHFFFAOYSA-N 0 0 338.338 4.244 50 0 EIAARN CCCCC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000027710181 563898988 /nfs/dbraw/zinc/89/89/88/563898988.db2.gz YQDHQRBZJMVDBA-UHFFFAOYSA-N 0 0 327.424 4.100 50 0 EIAARN O=C(Cn1c2ccccc2nc1Cc1ccccc1)N1CCCCCC1 ZINC000027693192 563899055 /nfs/dbraw/zinc/89/90/55/563899055.db2.gz DYISXFXAICAPHW-UHFFFAOYSA-N 0 0 347.462 4.030 50 0 EIAARN OCCn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000027695580 563899072 /nfs/dbraw/zinc/89/90/72/563899072.db2.gz MOGADHNQJMRJFJ-UHFFFAOYSA-N 0 0 328.415 4.209 50 0 EIAARN COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2OC)cc1 ZINC000027795699 563899712 /nfs/dbraw/zinc/89/97/12/563899712.db2.gz FUMGHSDJWHADGJ-UHFFFAOYSA-N 0 0 337.375 4.144 50 0 EIAARN Cc1cccc(NC(=O)COC(c2ccccc2)c2ccccc2)n1 ZINC000028194546 563901526 /nfs/dbraw/zinc/90/15/26/563901526.db2.gz VXMWOVAXIIYXTF-UHFFFAOYSA-N 0 0 332.403 4.135 50 0 EIAARN CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000028406026 563902825 /nfs/dbraw/zinc/90/28/25/563902825.db2.gz XYVOAZZKGJVDLA-UHFFFAOYSA-N 0 0 349.369 4.097 50 0 EIAARN C[C@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)n1cccn1 ZINC000028434929 563902857 /nfs/dbraw/zinc/90/28/57/563902857.db2.gz UZFILIVYXSNFBK-CYBMUJFWSA-N 0 0 348.431 4.360 50 0 EIAARN Cc1ccc2[nH]c(C(=O)N(C)Cc3ccc(OC(F)F)cc3)cc2c1 ZINC000028415061 563902884 /nfs/dbraw/zinc/90/28/84/563902884.db2.gz ORJNRMCMFCOFRN-UHFFFAOYSA-N 0 0 344.361 4.350 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)n1cccn1 ZINC000028434927 563902895 /nfs/dbraw/zinc/90/28/95/563902895.db2.gz UZFILIVYXSNFBK-ZDUSSCGKSA-N 0 0 348.431 4.360 50 0 EIAARN O=c1c2ccccc2nc(/C=C/c2cccnc2)n1-c1ccc(F)cc1 ZINC000028496878 563903123 /nfs/dbraw/zinc/90/31/23/563903123.db2.gz BMRXCZJJUXVRSV-KPKJPENVSA-N 0 0 343.361 4.090 50 0 EIAARN Nc1c(Cl)cc(NC(=O)c2cncn2-c2ccccc2)cc1Cl ZINC000028818687 563904094 /nfs/dbraw/zinc/90/40/94/563904094.db2.gz YASIRLNPWHHGBR-UHFFFAOYSA-N 0 0 347.205 4.014 50 0 EIAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@@H]1c1cccnc1 ZINC000029296096 563905615 /nfs/dbraw/zinc/90/56/15/563905615.db2.gz IBMIKXLBFHQJFI-OAHLLOKOSA-N 0 0 326.396 4.413 50 0 EIAARN CC(C)(C)c1csc(NC(=O)c2cccc(Br)c2)n1 ZINC000000452282 563905938 /nfs/dbraw/zinc/90/59/38/563905938.db2.gz CIHZFBLBHHUCEO-UHFFFAOYSA-N 0 0 339.258 4.455 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000000434306 563906003 /nfs/dbraw/zinc/90/60/03/563906003.db2.gz DWENROATSDBDOI-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN c1ccc([C@H]2CN(Cc3nc(C4CC4)no3)Cc3ccccc32)cc1 ZINC000029523469 563907209 /nfs/dbraw/zinc/90/72/09/563907209.db2.gz PAAJPQUOVIGIPN-LJQANCHMSA-N 0 0 331.419 4.095 50 0 EIAARN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1cccs1 ZINC000072289081 563908660 /nfs/dbraw/zinc/90/86/60/563908660.db2.gz FWNJZLGOTPIYPG-HNNXBMFYSA-N 0 0 336.432 4.111 50 0 EIAARN CSCc1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)o1 ZINC000029917337 563908919 /nfs/dbraw/zinc/90/89/19/563908919.db2.gz ZHSUYBGESJDZBZ-JTQLQIEISA-N 0 0 347.465 4.086 50 0 EIAARN Cc1nc2cc(NC(=O)Nc3cc(-c4nnco4)ccc3C)ccc2o1 ZINC000072290960 563909089 /nfs/dbraw/zinc/90/90/89/563909089.db2.gz UABXGIYGVLDLJV-UHFFFAOYSA-N 0 0 349.350 4.139 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)N[C@@H](C)Cc2ccc(C)s2)c1C ZINC000072291991 563909290 /nfs/dbraw/zinc/90/92/90/563909290.db2.gz CXKPIDUGFRNEDO-NSHDSACASA-N 0 0 345.468 4.076 50 0 EIAARN O=C(Nc1ccccc1Oc1ccccc1Cl)C1CCOCC1 ZINC000030061130 563909443 /nfs/dbraw/zinc/90/94/43/563909443.db2.gz PYLYFKNJEPJFTD-UHFFFAOYSA-N 0 0 331.799 4.497 50 0 EIAARN CCOCc1ccccc1CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000030179535 563909611 /nfs/dbraw/zinc/90/96/11/563909611.db2.gz HGVJDRRAUGJNNG-UHFFFAOYSA-N 0 0 338.234 4.460 50 0 EIAARN CC(C)OCc1ccccc1CNC(=O)c1c(F)cccc1Cl ZINC000030367803 563909675 /nfs/dbraw/zinc/90/96/75/563909675.db2.gz ZHMDKXGKHVRGJF-UHFFFAOYSA-N 0 0 335.806 4.334 50 0 EIAARN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc2ccccc2[nH]1 ZINC000030313823 563909686 /nfs/dbraw/zinc/90/96/86/563909686.db2.gz QRRAJZSWWXGSHZ-UHFFFAOYSA-N 0 0 348.324 4.339 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000030512513 563909806 /nfs/dbraw/zinc/90/98/06/563909806.db2.gz KPXYBLWYQZJFAF-UHFFFAOYSA-N 0 0 336.819 4.486 50 0 EIAARN CCC[C@@H](C)NC(=O)CSCc1cc(-c2ccc(C)cc2)no1 ZINC000030527445 563909965 /nfs/dbraw/zinc/90/99/65/563909965.db2.gz GVYHGWUHHXJPRV-CQSZACIVSA-N 0 0 332.469 4.188 50 0 EIAARN CCC(CC)c1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)on1 ZINC000072295263 563912078 /nfs/dbraw/zinc/91/20/78/563912078.db2.gz AJAYLTYBGCEIQU-LBPRGKRZSA-N 0 0 346.427 4.086 50 0 EIAARN Cc1ccc(CCCC(=O)Nc2ccc3c(c2)CCCC(=O)N3)s1 ZINC000175766173 563913687 /nfs/dbraw/zinc/91/36/87/563913687.db2.gz UQUAJILFWVINNR-UHFFFAOYSA-N 0 0 342.464 4.293 50 0 EIAARN CCCCCNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000072302627 563914268 /nfs/dbraw/zinc/91/42/68/563914268.db2.gz JRTBFUIVSRCCLU-NVXWUHKLSA-N 0 0 348.487 4.195 50 0 EIAARN O=C(c1ccc(F)cc1)c1ccc(N[S@@](=O)c2ccccc2)cc1 ZINC000015636860 563916790 /nfs/dbraw/zinc/91/67/90/563916790.db2.gz MTKZRXDHEPAGMA-XMMPIXPASA-N 0 0 339.391 4.191 50 0 EIAARN Oc1ccc(Br)cc1-c1nnc2ccc3ccccc3n21 ZINC000000086361 563916878 /nfs/dbraw/zinc/91/68/78/563916878.db2.gz UVNMTZSUVDFUPA-UHFFFAOYSA-N 0 0 340.180 4.018 50 0 EIAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=S)N(c1nc3ccccc3s1)N2 ZINC000000197211 563917023 /nfs/dbraw/zinc/91/70/23/563917023.db2.gz XYQIHLDLNHFALM-GTNSWQLSSA-N 0 0 346.525 4.038 50 0 EIAARN Cc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)nc(N)c12 ZINC000000451279 563917513 /nfs/dbraw/zinc/91/75/13/563917513.db2.gz TUTAVQRNEOKAHD-UHFFFAOYSA-N 0 0 345.427 4.480 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(N(C)C)c2ccccc12 ZINC000001170342 563917818 /nfs/dbraw/zinc/91/78/18/563917818.db2.gz CKKLRDOBTWMHHT-HNNXBMFYSA-N 0 0 334.419 4.312 50 0 EIAARN C[C@H](OC(=O)Cc1ccc(F)cc1F)C(Cl)=C(Cl)Cl ZINC000023115373 563918693 /nfs/dbraw/zinc/91/86/93/563918693.db2.gz GGUGGJKTOXEQNT-LURJTMIESA-N 0 0 329.557 4.325 50 0 EIAARN CCc1ccc(N2C(=O)CC(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000032985335 563920703 /nfs/dbraw/zinc/92/07/03/563920703.db2.gz PVYHYRAUWPSFLL-UHFFFAOYSA-N 0 0 327.811 4.340 50 0 EIAARN Cc1csc(-c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)n1 ZINC000097938077 563922698 /nfs/dbraw/zinc/92/26/98/563922698.db2.gz XBDJVXWAHYKWIG-UHFFFAOYSA-N 0 0 340.423 4.117 50 0 EIAARN CCc1nc2sc(C)cc2c(NCc2ccc(OC)cc2OC)n1 ZINC000041090658 563924174 /nfs/dbraw/zinc/92/41/74/563924174.db2.gz SPFBPKLVOQUKKZ-UHFFFAOYSA-N 0 0 343.452 4.191 50 0 EIAARN CCC(=O)Nc1nc2ccc(NC(=O)NC3CCCCC3)cc2s1 ZINC000033008089 563924750 /nfs/dbraw/zinc/92/47/50/563924750.db2.gz VGLJAJQHTUUJBG-UHFFFAOYSA-N 0 0 346.456 4.099 50 0 EIAARN O=C(c1ccc(C2OCCO2)s1)c1cccc(C(F)(F)F)c1 ZINC000043210397 563925268 /nfs/dbraw/zinc/92/52/68/563925268.db2.gz PFFXRLWUIBIXAG-UHFFFAOYSA-N 0 0 328.311 4.043 50 0 EIAARN CCc1noc(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1 ZINC000033012804 563925626 /nfs/dbraw/zinc/92/56/26/563925626.db2.gz OIVSBYDSWDGKFS-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NC4CC4)c3)n2)cc1 ZINC000033025215 563930369 /nfs/dbraw/zinc/93/03/69/563930369.db2.gz UDPWPLYYAATULR-UHFFFAOYSA-N 0 0 344.418 4.088 50 0 EIAARN O[C@H]1CCCC[C@H]1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000060342745 563931897 /nfs/dbraw/zinc/93/18/97/563931897.db2.gz AUURWASIUZNMSJ-CABCVRRESA-N 0 0 325.437 4.074 50 0 EIAARN COc1cc(Cl)ccc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000060353342 563932896 /nfs/dbraw/zinc/93/28/96/563932896.db2.gz HTDXFGZWOIDGIQ-UHFFFAOYSA-N 0 0 328.170 4.071 50 0 EIAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cn3ccc(C)cc3n2)cc1 ZINC000071928372 563933053 /nfs/dbraw/zinc/93/30/53/563933053.db2.gz BHHYHABWDDLBGV-IBGZPJMESA-N 0 0 349.434 4.019 50 0 EIAARN O=C(Nc1ccc(F)cc1F)N[C@H](c1ccccc1)c1ccccn1 ZINC000033040355 563933351 /nfs/dbraw/zinc/93/33/51/563933351.db2.gz FYZXDUJFTRHCAQ-GOSISDBHSA-N 0 0 339.345 4.271 50 0 EIAARN CCSc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000055703518 563934985 /nfs/dbraw/zinc/93/49/85/563934985.db2.gz QFFKQSRHUHRGNU-UHFFFAOYSA-N 0 0 340.448 4.178 50 0 EIAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(C1CC1)CO3 ZINC000057135578 563935428 /nfs/dbraw/zinc/93/54/28/563935428.db2.gz ZFXCBNLVDDVARD-UHFFFAOYSA-N 0 0 347.414 4.007 50 0 EIAARN CN(C)c1ccc2cc(NC(=O)c3cccc4cccnc43)ccc2n1 ZINC000058044682 563936926 /nfs/dbraw/zinc/93/69/26/563936926.db2.gz DBUVBYVIXJOGSV-UHFFFAOYSA-N 0 0 342.402 4.101 50 0 EIAARN CSc1sc(NC(=O)CCn2ccc3ccccc32)nc1C ZINC000058136873 563937670 /nfs/dbraw/zinc/93/76/70/563937670.db2.gz JVBUEBXJHOCGPX-UHFFFAOYSA-N 0 0 331.466 4.157 50 0 EIAARN O=[S@](CCCOc1ccc(F)cc1)Cc1ccc(Cl)cc1 ZINC000058130894 563937696 /nfs/dbraw/zinc/93/76/96/563937696.db2.gz HFEJTXMEUUKAGT-NRFANRHFSA-N 0 0 326.820 4.197 50 0 EIAARN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccc[nH]c1=S ZINC000058153365 563937895 /nfs/dbraw/zinc/93/78/95/563937895.db2.gz JHDYYDKBZYDPEI-UHFFFAOYSA-N 0 0 336.376 4.133 50 0 EIAARN CCCn1ccc2cc(NC(=O)NCc3ccccc3OC)ccc21 ZINC000058158299 563938142 /nfs/dbraw/zinc/93/81/42/563938142.db2.gz HXCPSDUINJCABE-UHFFFAOYSA-N 0 0 337.423 4.382 50 0 EIAARN Cc1ccc(C(=O)N[C@@H]2CCCc3nc(-c4ccccc4)sc32)cn1 ZINC000058157727 563938143 /nfs/dbraw/zinc/93/81/43/563938143.db2.gz XOWHLNTWXJSSKD-MRXNPFEDSA-N 0 0 349.459 4.321 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(F)cc2)no1 ZINC000058177775 563939069 /nfs/dbraw/zinc/93/90/69/563939069.db2.gz SJHSKMMHSIEISS-SNVBAGLBSA-N 0 0 345.761 4.020 50 0 EIAARN COc1ccccc1CCC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000058209165 563939823 /nfs/dbraw/zinc/93/98/23/563939823.db2.gz PEXPZDWGSNHMSN-FQEVSTJZSA-N 0 0 337.463 4.252 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N(Cc1cccnc1)C1CC1 ZINC000058325113 563942506 /nfs/dbraw/zinc/94/25/06/563942506.db2.gz MKOIRZZJRJZYCY-QZTJIDSGSA-N 0 0 326.827 4.030 50 0 EIAARN CCc1ccc(CNC(=O)c2cnn(C(C)C)c2C(F)(F)F)s1 ZINC000058329891 563942707 /nfs/dbraw/zinc/94/27/07/563942707.db2.gz LQKCEBMKOMKWSZ-UHFFFAOYSA-N 0 0 345.390 4.037 50 0 EIAARN Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@H]1c1ccccn1 ZINC000058343459 563943096 /nfs/dbraw/zinc/94/30/96/563943096.db2.gz QDIKYPLLOOXBEH-AWEZNQCLSA-N 0 0 329.469 4.121 50 0 EIAARN O=C(COc1ccccc1-c1ccccc1)N1CCOc2ccccc21 ZINC000058356339 563943416 /nfs/dbraw/zinc/94/34/16/563943416.db2.gz FBFKLOCPIZJMHZ-UHFFFAOYSA-N 0 0 345.398 4.158 50 0 EIAARN FC(F)c1cccc(NCc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000058356666 563943486 /nfs/dbraw/zinc/94/34/86/563943486.db2.gz YGKUXJXXLQRGEC-UHFFFAOYSA-N 0 0 345.305 4.015 50 0 EIAARN O=C(Nc1cccc(-c2nnco2)c1)N1CCC(c2ccccc2)CC1 ZINC000058368708 563944019 /nfs/dbraw/zinc/94/40/19/563944019.db2.gz BMTCIBONGTWRAJ-UHFFFAOYSA-N 0 0 348.406 4.148 50 0 EIAARN CN(Cc1ccccc1)S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000058377127 563944160 /nfs/dbraw/zinc/94/41/60/563944160.db2.gz OXKFDDSMSJRUDO-UHFFFAOYSA-N 0 0 337.444 4.174 50 0 EIAARN O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCCCCCC1 ZINC000058407610 563945230 /nfs/dbraw/zinc/94/52/30/563945230.db2.gz MBSFJQHJPIBFNP-UHFFFAOYSA-N 0 0 340.345 4.473 50 0 EIAARN CC[C@H](C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 ZINC000058412824 563945311 /nfs/dbraw/zinc/94/53/11/563945311.db2.gz VVGVNWDKCJRHEI-ZDUSSCGKSA-N 0 0 329.450 4.399 50 0 EIAARN Cc1ccccc1[C@@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 ZINC000058434339 563946377 /nfs/dbraw/zinc/94/63/77/563946377.db2.gz CXCQWEHBPHGUMY-CQSZACIVSA-N 0 0 347.397 4.412 50 0 EIAARN Cc1ccc(C)n1C1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000058434671 563946524 /nfs/dbraw/zinc/94/65/24/563946524.db2.gz LGGRDQSVVQZPPO-UHFFFAOYSA-N 0 0 342.468 4.054 50 0 EIAARN CCCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1 ZINC000059094201 563947639 /nfs/dbraw/zinc/94/76/39/563947639.db2.gz KDTAUDWEAZRNMG-UHFFFAOYSA-N 0 0 328.412 4.238 50 0 EIAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000059740785 563949338 /nfs/dbraw/zinc/94/93/38/563949338.db2.gz IMPOGHSJTJMELD-INIZCTEOSA-N 0 0 330.472 4.033 50 0 EIAARN C[C@@H]1CN(CC(=O)NC2CCCCCCC2)c2ccccc2S1 ZINC000033059187 563950117 /nfs/dbraw/zinc/95/01/17/563950117.db2.gz PBNLYJALKRJUHI-OAHLLOKOSA-N 0 0 332.513 4.216 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000096411152 563950811 /nfs/dbraw/zinc/95/08/11/563950811.db2.gz ZWULMDXKCIEODN-XLWVJDPXSA-N 0 0 344.480 4.100 50 0 EIAARN Cc1ccc(NC(=O)CN2C[C@H](C)Sc3ccccc32)c(C)c1 ZINC000033059214 563951606 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ZINC000298308249 563957272 /nfs/dbraw/zinc/95/72/72/563957272.db2.gz CPWIDWIWQCXJQB-UHFFFAOYSA-N 0 0 344.846 4.064 50 0 EIAARN CC(C)Cn1ncc2c1NC(=O)C[C@H]2c1ccccc1-c1ccco1 ZINC000065371698 563958449 /nfs/dbraw/zinc/95/84/49/563958449.db2.gz ZOCRBIALTQOARW-INIZCTEOSA-N 0 0 335.407 4.273 50 0 EIAARN c1nc(-c2ccccc2)c(COCc2ccccc2)n1C[C@@H]1CCCO1 ZINC000065371768 563958464 /nfs/dbraw/zinc/95/84/64/563958464.db2.gz MVLRUAWCQVTDCI-FQEVSTJZSA-N 0 0 348.446 4.446 50 0 EIAARN Cc1nc(C)c(Cn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)s1 ZINC000065371276 563958507 /nfs/dbraw/zinc/95/85/07/563958507.db2.gz KJENXDKCURTRPS-MRXNPFEDSA-N 0 0 339.464 4.176 50 0 EIAARN Oc1ccccc1-c1nc(C2CC2)nn1-c1cccc2cccnc21 ZINC000065387883 563959394 /nfs/dbraw/zinc/95/93/94/563959394.db2.gz SEHSYJMQDKAXDE-UHFFFAOYSA-N 0 0 328.375 4.066 50 0 EIAARN CC(C)n1cnnc1CN(C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000065417467 563960564 /nfs/dbraw/zinc/96/05/64/563960564.db2.gz UPASAAKVULHLKI-UHFFFAOYSA-N 0 0 332.451 4.062 50 0 EIAARN CCn1ncnc1-c1c(-c2ccccc2)ncn1CCc1cccs1 ZINC000065489511 563961498 /nfs/dbraw/zinc/96/14/98/563961498.db2.gz LDHMIDXYYYVPBS-UHFFFAOYSA-N 0 0 349.463 4.133 50 0 EIAARN CCc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H](C)n2cncn2)o1 ZINC000065527920 563961905 /nfs/dbraw/zinc/96/19/05/563961905.db2.gz MQSOAXATFYCFFI-OAHLLOKOSA-N 0 0 347.422 4.225 50 0 EIAARN O=C(Nc1cccc(Oc2cnccn2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000033137128 563963708 /nfs/dbraw/zinc/96/37/08/563963708.db2.gz KOMAXGFSIMRAAK-UHFFFAOYSA-N 0 0 349.434 4.424 50 0 EIAARN COc1ccc(C2(Cn3ccnc3-c3cccnc3)CCCC2)cc1 ZINC000071416306 563964341 /nfs/dbraw/zinc/96/43/41/563964341.db2.gz MUGSXTCXJUDEPC-UHFFFAOYSA-N 0 0 333.435 4.466 50 0 EIAARN COc1ccccc1-c1nccn1CC1(c2ccccc2)CCOCC1 ZINC000071497795 563964459 /nfs/dbraw/zinc/96/44/59/563964459.db2.gz HQPFECSAUJPPDQ-UHFFFAOYSA-N 0 0 348.446 4.307 50 0 EIAARN CN(C)c1ccc(NC(=O)CCc2ccsc2)c(C(F)(F)F)c1 ZINC000033177066 563964508 /nfs/dbraw/zinc/96/45/08/563964508.db2.gz BFRNETFJLDPLKV-UHFFFAOYSA-N 0 0 342.386 4.404 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)[nH]n1 ZINC000071707782 563964787 /nfs/dbraw/zinc/96/47/87/563964787.db2.gz SUVHJNKKDRHTDB-HNNXBMFYSA-N 0 0 343.446 4.157 50 0 EIAARN CCn1nc(C(C)C)cc1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000071735520 563964841 /nfs/dbraw/zinc/96/48/41/563964841.db2.gz BEYNGNQFBSAOIZ-UHFFFAOYSA-N 0 0 338.455 4.055 50 0 EIAARN Cc1ccsc1-c1nccn1[C@@H](Cn1ccnc1)c1ccccc1 ZINC000071745431 563964899 /nfs/dbraw/zinc/96/48/99/563964899.db2.gz JEOHLYIHSYTEOC-KRWDZBQOSA-N 0 0 334.448 4.406 50 0 EIAARN COc1cc2c(cc1-c1nccn1Cc1cc(C(C)C)no1)CCC2 ZINC000071755230 563965280 /nfs/dbraw/zinc/96/52/80/563965280.db2.gz AYUOLTGYNOCWFN-UHFFFAOYSA-N 0 0 337.423 4.207 50 0 EIAARN Cc1c2cc(CNc3cc(N)ncn3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071763478 563965439 /nfs/dbraw/zinc/96/54/39/563965439.db2.gz YRTRJQJWADTSCF-UHFFFAOYSA-N 0 0 347.397 4.267 50 0 EIAARN COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1Cl ZINC000071973679 563965939 /nfs/dbraw/zinc/96/59/39/563965939.db2.gz UNJWJSFDEJPNML-UHFFFAOYSA-N 0 0 334.828 4.437 50 0 EIAARN O=C(c1cccc(-c2noc(C3CCC3)n2)c1)N1CCc2ccccc21 ZINC000033257689 563966231 /nfs/dbraw/zinc/96/62/31/563966231.db2.gz XFPATSZHXMSLDD-UHFFFAOYSA-N 0 0 345.402 4.207 50 0 EIAARN Cc1ccc(-c2nc(CNc3ccc([S@](C)=O)c(F)c3)co2)cc1 ZINC000097020094 563966650 /nfs/dbraw/zinc/96/66/50/563966650.db2.gz CDYXVRLBBLHKPK-XMMPIXPASA-N 0 0 344.411 4.139 50 0 EIAARN CC[C@@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1cccs1 ZINC000097033489 563966880 /nfs/dbraw/zinc/96/68/80/563966880.db2.gz IBUXCUADNFSHFS-KGLIPLIRSA-N 0 0 332.473 4.086 50 0 EIAARN CCCn1cc(CNc2ncccc2O[C@H](C)c2ccccc2)cn1 ZINC000097094837 563967421 /nfs/dbraw/zinc/96/74/21/563967421.db2.gz OYNMPUCQHRGKOV-MRXNPFEDSA-N 0 0 336.439 4.440 50 0 EIAARN c1csc(-c2ccccc2OCc2nnc(C3CC3)n2C2CC2)n1 ZINC000097103801 563967641 /nfs/dbraw/zinc/96/76/41/563967641.db2.gz UXFOEDIIWHJQDF-UHFFFAOYSA-N 0 0 338.436 4.193 50 0 EIAARN Nc1ccc(Cl)cc1-c1n[nH]c(C2C3CC4CC(C3)CC2C4)n1 ZINC000097105497 563967673 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ZINC000077428686 563969615 /nfs/dbraw/zinc/96/96/15/563969615.db2.gz OMHULOXCZDAFPT-UHFFFAOYSA-N 0 0 345.446 4.305 50 0 EIAARN O=C(c1cccc2nccnc21)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077440906 563969696 /nfs/dbraw/zinc/96/96/96/563969696.db2.gz ZUFWGAWZBSDYCP-GOSISDBHSA-N 0 0 335.382 4.136 50 0 EIAARN Cc1cccc([C@@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1 ZINC000077456002 563969757 /nfs/dbraw/zinc/96/97/57/563969757.db2.gz WPQNSBCLJASIGR-HXUWFJFHSA-N 0 0 345.446 4.201 50 0 EIAARN COc1cccc([C@@H]2CCCN2C(=O)c2ccccc2SC)c1 ZINC000077457812 563969829 /nfs/dbraw/zinc/96/98/29/563969829.db2.gz WEDIOQFTBQLVAB-KRWDZBQOSA-N 0 0 327.449 4.394 50 0 EIAARN CSc1ncccc1C(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077472172 563969905 /nfs/dbraw/zinc/96/99/05/563969905.db2.gz YPWLOFALBYGRTJ-INIZCTEOSA-N 0 0 330.428 4.310 50 0 EIAARN C[C@H](NCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000097033125 563971204 /nfs/dbraw/zinc/97/12/04/563971204.db2.gz BKPLPDQGQFGNHJ-AWEZNQCLSA-N 0 0 347.418 4.077 50 0 EIAARN COc1cccc([C@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)c1OC ZINC000033271092 563971777 /nfs/dbraw/zinc/97/17/77/563971777.db2.gz ZNYZKSLNUJUXPT-AGRHKRQWSA-N 0 0 343.398 4.477 50 0 EIAARN CC(C)c1nc(CN(C)C(=O)C[C@@H]2CCc3ccccc32)cs1 ZINC000082107679 563972301 /nfs/dbraw/zinc/97/23/01/563972301.db2.gz KPQWGAQALWERHP-HNNXBMFYSA-N 0 0 328.481 4.345 50 0 EIAARN CCc1ccc(CNC(=O)c2csc(Nc3ccccc3)n2)cc1 ZINC000033280719 563972937 /nfs/dbraw/zinc/97/29/37/563972937.db2.gz YJNMIIPFIREVSE-UHFFFAOYSA-N 0 0 337.448 4.379 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033297990 563973118 /nfs/dbraw/zinc/97/31/18/563973118.db2.gz ICTGRCZYSQJGOC-UKRRQHHQSA-N 0 0 339.464 4.396 50 0 EIAARN C[S@@](=O)Cc1cccc(N[C@H](c2ccccc2)c2ccccn2)c1 ZINC000097233992 563973313 /nfs/dbraw/zinc/97/33/13/563973313.db2.gz UNECVAPURIXFAC-YKSBVNFPSA-N 0 0 336.460 4.162 50 0 EIAARN Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000126159085 563973338 /nfs/dbraw/zinc/97/33/38/563973338.db2.gz UNGKANIQHACDIZ-INIZCTEOSA-N 0 0 347.418 4.185 50 0 EIAARN Cc1cccc(C)c1NC(=O)N[C@H](c1ccccc1)C(C)(C)CO ZINC000585140281 563973368 /nfs/dbraw/zinc/97/33/68/563973368.db2.gz BBWNBEOWCBFYOD-GOSISDBHSA-N 0 0 326.440 4.185 50 0 EIAARN COC(=O)c1ccc(C(=O)C[C@H](Nc2ccc(C)cc2)C(C)C)cc1 ZINC000585145587 563973475 /nfs/dbraw/zinc/97/34/75/563973475.db2.gz YRSUQBRKRHNZRV-IBGZPJMESA-N 0 0 339.435 4.491 50 0 EIAARN Cc1ccc(C(=O)c2ccc(CN3CCSCC3)cc2)c(C)c1 ZINC000085651259 563973865 /nfs/dbraw/zinc/97/38/65/563973865.db2.gz FLABIXCZCKLAMH-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN O=C(NCc1ccc(F)cc1)NC[C@H](c1ccco1)c1cccs1 ZINC000585146799 563973964 /nfs/dbraw/zinc/97/39/64/563973964.db2.gz QVFYVMQXFZZFFY-OAHLLOKOSA-N 0 0 344.411 4.112 50 0 EIAARN Cc1ccc2c(c1)OC=CC(C(=O)NCc1ccccc1Cl)=C2 ZINC000033321303 563974023 /nfs/dbraw/zinc/97/40/23/563974023.db2.gz BHJMFHYNSWIYTB-UHFFFAOYSA-N 0 0 325.795 4.254 50 0 EIAARN Fc1ccc(-n2ncc3c2ncnc3SC2CCCCC2)cc1 ZINC000000082043 563974851 /nfs/dbraw/zinc/97/48/51/563974851.db2.gz JAUJUQPKNSIGAW-UHFFFAOYSA-N 0 0 328.416 4.379 50 0 EIAARN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)n1cnc2ccccc21 ZINC000043841646 563975137 /nfs/dbraw/zinc/97/51/37/563975137.db2.gz DXKKXMSEKVUNCJ-CJNGLKHVSA-N 0 0 325.437 4.023 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccco3)cc2)cs1 ZINC000043854508 563975422 /nfs/dbraw/zinc/97/54/22/563975422.db2.gz DYSBCHKAYGRKQA-UHFFFAOYSA-N 0 0 327.409 4.375 50 0 EIAARN Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(C)cc2)S3)cc1 ZINC000000093532 563976615 /nfs/dbraw/zinc/97/66/15/563976615.db2.gz XALJGBDCCKNBDJ-MRXNPFEDSA-N 0 0 335.432 4.439 50 0 EIAARN CC(C)Cc1cc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)no1 ZINC000095501521 563977079 /nfs/dbraw/zinc/97/70/79/563977079.db2.gz WWUNOGQSKJWKIO-HXUWFJFHSA-N 0 0 326.440 4.067 50 0 EIAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000095512851 563977250 /nfs/dbraw/zinc/97/72/50/563977250.db2.gz ZGBQGVNWABUPRO-OAHLLOKOSA-N 0 0 344.434 4.234 50 0 EIAARN CC(C)n1ccnc1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 ZINC000095511219 563977264 /nfs/dbraw/zinc/97/72/64/563977264.db2.gz UWXVIPORWFCSDY-UHFFFAOYSA-N 0 0 348.450 4.032 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)ccc1Cl ZINC000095511714 563977290 /nfs/dbraw/zinc/97/72/90/563977290.db2.gz QDMFITRTDZLKAN-MRXNPFEDSA-N 0 0 345.874 4.446 50 0 EIAARN CSc1cccc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000095524968 563977453 /nfs/dbraw/zinc/97/74/53/563977453.db2.gz PVOMXXGQTORHLB-UHFFFAOYSA-N 0 0 332.473 4.093 50 0 EIAARN O=C(Oc1ccc(C2SCCS2)cc1)c1cccc2c[nH]nc21 ZINC000043978626 563977584 /nfs/dbraw/zinc/97/75/84/563977584.db2.gz JYHHYRMMUSFSMX-UHFFFAOYSA-N 0 0 342.445 4.261 50 0 EIAARN Cc1cc(C)c(NC(=O)N[C@H](C)c2nc(C3CC3)no2)c(Cl)c1 ZINC000096130347 563979360 /nfs/dbraw/zinc/97/93/60/563979360.db2.gz OYDNATUZRGBFKZ-SNVBAGLBSA-N 0 0 334.807 4.100 50 0 EIAARN Cc1nc2ccc(NC(=O)N[C@H](c3ccccn3)C(C)C)cc2nc1C ZINC000096150449 563979625 /nfs/dbraw/zinc/97/96/25/563979625.db2.gz GRIFWFRTOWSXNN-IBGZPJMESA-N 0 0 349.438 4.160 50 0 EIAARN CCCc1cc(CNC(=O)Nc2c(F)cccc2C(F)(F)F)on1 ZINC000096151896 563979693 /nfs/dbraw/zinc/97/96/93/563979693.db2.gz HHKVSGMJBSKDEG-UHFFFAOYSA-N 0 0 345.296 4.107 50 0 EIAARN Cc1cccc2c3nnc(=S)[nH]c3n(Cc3ccc(Cl)cc3)c21 ZINC000096319330 563980764 /nfs/dbraw/zinc/98/07/64/563980764.db2.gz GTSGZTQZVBQOTB-UHFFFAOYSA-N 0 0 340.839 4.278 50 0 EIAARN CCNC(=O)c1ccc(NCc2ncc(-c3ccc(C)cc3)o2)c(C)c1 ZINC000072911869 563981203 /nfs/dbraw/zinc/98/12/03/563981203.db2.gz MNPJFPFWJMPRLJ-UHFFFAOYSA-N 0 0 349.434 4.320 50 0 EIAARN Cc1sc2ncn(Cc3ccc(Cl)cc3Cl)c(=O)c2c1C ZINC000000098419 563981489 /nfs/dbraw/zinc/98/14/89/563981489.db2.gz OCVMQUVTPNLTTF-UHFFFAOYSA-N 0 0 339.247 4.430 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)OC(=O)C2 ZINC000000099912 563981715 /nfs/dbraw/zinc/98/17/15/563981715.db2.gz FBZKRLMXKDYDIW-LJQANCHMSA-N 0 0 346.810 4.326 50 0 biogenic EIAARN CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(OC)ccc1Br ZINC000095459134 563983203 /nfs/dbraw/zinc/98/32/03/563983203.db2.gz PSDYGMZEQDUBIR-MNOVXSKESA-N 0 0 341.249 4.253 50 0 EIAARN Cc1ccc(NC(=O)CCCn2cc(-c3ccc(F)cc3)cn2)cc1 ZINC000257173536 563984275 /nfs/dbraw/zinc/98/42/75/563984275.db2.gz PYQGTMLBGBYJBS-UHFFFAOYSA-N 0 0 337.398 4.417 50 0 EIAARN CCc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000000107076 563986492 /nfs/dbraw/zinc/98/64/92/563986492.db2.gz PVYYSTHASNPUKU-OAHLLOKOSA-N 0 0 334.394 4.487 50 0 EIAARN COc1ccccc1Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000000111704 563986623 /nfs/dbraw/zinc/98/66/23/563986623.db2.gz BVUUOMZUTRWEHB-UHFFFAOYSA-N 0 0 328.375 4.444 50 0 EIAARN Cc1ccc2c(c1)O[C@@H](c1cc(Cl)cc3c1OCOC3)CC2=O ZINC000000125016 563986772 /nfs/dbraw/zinc/98/67/72/563986772.db2.gz YDYPQVKDHUKGLR-QGZVFWFLSA-N 0 0 330.767 4.221 50 0 biogenic EIAARN CC(C)c1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1 ZINC000000140175 563987092 /nfs/dbraw/zinc/98/70/92/563987092.db2.gz PJRZDXVUQFUQFH-UHFFFAOYSA-N 0 0 342.464 4.120 50 0 EIAARN Cc1cc([C@H](C)NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)o1 ZINC000127589261 563987362 /nfs/dbraw/zinc/98/73/62/563987362.db2.gz VZTGMAFFVRKRBC-YJLNNSPDSA-N 0 0 342.439 4.177 50 0 EIAARN COc1ccc(Cl)cc1C1=N/C(=C\c2cccc(Cl)c2)C(=O)O1 ZINC000000177660 563987726 /nfs/dbraw/zinc/98/77/26/563987726.db2.gz QEEXXANICWAJSU-ZSOIEALJSA-N 0 0 348.185 4.347 50 0 EIAARN O=C1c2cccc3c(N4CCCC4)ccc(c32)C(=O)N1c1ccccc1 ZINC000000178533 563987767 /nfs/dbraw/zinc/98/77/67/563987767.db2.gz MIPRIBYCDHSEAA-UHFFFAOYSA-N 0 0 342.398 4.241 50 0 EIAARN O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1c(F)cccc1F ZINC000000184608 563987946 /nfs/dbraw/zinc/98/79/46/563987946.db2.gz WEKIRMLWXAWVEB-UHFFFAOYSA-N 0 0 346.120 4.434 50 0 EIAARN CC(=O)c1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000000192161 563988168 /nfs/dbraw/zinc/98/81/68/563988168.db2.gz APFNSNJUAXMTHG-UHFFFAOYSA-N 0 0 330.796 4.405 50 0 EIAARN Cc1ccc(-c2noc(CNc3ccc(Br)cc3)n2)cc1 ZINC000000203388 563988421 /nfs/dbraw/zinc/98/84/21/563988421.db2.gz OUBJTMXECOCYON-UHFFFAOYSA-N 0 0 344.212 4.420 50 0 EIAARN COc1ccccc1Oc1c(F)c(F)nc(N2CCCCC2)c1F ZINC000000203844 563988435 /nfs/dbraw/zinc/98/84/35/563988435.db2.gz QQSBTAWLULZVJO-UHFFFAOYSA-N 0 0 338.329 4.290 50 0 EIAARN CCOc1ccc(-c2nc(NC(=O)c3ccncc3)sc2C)cc1 ZINC000000233978 563989055 /nfs/dbraw/zinc/98/90/55/563989055.db2.gz SWQGMJXDMRLRJJ-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN Cc1nc2cc(-c3ccc(Br)cc3)nn2c(C)c1Cl ZINC000000272696 563990114 /nfs/dbraw/zinc/99/01/14/563990114.db2.gz ZMKQCEPLLAGQCH-UHFFFAOYSA-N 0 0 336.620 4.429 50 0 EIAARN Cc1ccc(-c2nnc(-c3cc4cc(Cl)ccc4oc3=O)o2)cc1 ZINC000000273942 563990126 /nfs/dbraw/zinc/99/01/26/563990126.db2.gz CXBILPHUACFQRL-UHFFFAOYSA-N 0 0 338.750 4.472 50 0 EIAARN c1ccc(N2CCN(c3ccccc3)C2c2ccc3c(c2)OCO3)cc1 ZINC000000286201 563990242 /nfs/dbraw/zinc/99/02/42/563990242.db2.gz WXWZUKKNOSAETI-UHFFFAOYSA-N 0 0 344.414 4.441 50 0 EIAARN CC(C)(C)C(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1 ZINC000000321730 563991193 /nfs/dbraw/zinc/99/11/93/563991193.db2.gz QKOAVQUXXVEFQC-UHFFFAOYSA-N 0 0 329.469 4.395 50 0 EIAARN CC(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000000324603 563991197 /nfs/dbraw/zinc/99/11/97/563991197.db2.gz RTJYOESOTMJYKP-CQSZACIVSA-N 0 0 347.846 4.142 50 0 EIAARN Oc1ccc(CNc2ccccc2Br)c2cccnc12 ZINC000000352689 563991592 /nfs/dbraw/zinc/99/15/92/563991592.db2.gz XXBBKQPFNKQHAQ-UHFFFAOYSA-N 0 0 329.197 4.315 50 0 EIAARN O=C(CCCn1cccc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000158706705 563991665 /nfs/dbraw/zinc/99/16/65/563991665.db2.gz CGOICQIXQFVYFZ-INIZCTEOSA-N 0 0 339.464 4.242 50 0 EIAARN CCOc1ccc(CCNC(=S)Nc2ccccc2)cc1Cl ZINC000000380962 563991911 /nfs/dbraw/zinc/99/19/11/563991911.db2.gz NGHGSGAZOOYUGT-UHFFFAOYSA-N 0 0 334.872 4.268 50 0 EIAARN O=c1c(Cl)nc(Cl)c(-c2ccccc2)n1Cc1ccccc1 ZINC000000383886 563992024 /nfs/dbraw/zinc/99/20/24/563992024.db2.gz BITMPVLDUYOJFU-UHFFFAOYSA-N 0 0 331.202 4.265 50 0 EIAARN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C)cc1)N1Cc2ccccc2C1=O ZINC000004935015 563992655 /nfs/dbraw/zinc/99/26/55/563992655.db2.gz QZOQZBKFYOREMO-BEFAXECRSA-N 0 0 336.435 4.004 50 0 EIAARN Cc1cccc2oc(CCNC(=O)c3ccc(C(F)F)cc3)nc21 ZINC000408513015 563992691 /nfs/dbraw/zinc/99/26/91/563992691.db2.gz XNMCENLBZBFASS-UHFFFAOYSA-N 0 0 330.334 4.046 50 0 EIAARN C[C@H](NCc1noc(-c2ccoc2)n1)c1cccc(Cl)c1Cl ZINC000408513801 563992782 /nfs/dbraw/zinc/99/27/82/563992782.db2.gz INXIPJMXDVXKFW-VIFPVBQESA-N 0 0 338.194 4.487 50 0 EIAARN C[C@H](Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)[C@H]1CCOC1 ZINC000408513842 563992807 /nfs/dbraw/zinc/99/28/07/563992807.db2.gz BDFCFDALKCDFKY-ZFWWWQNUSA-N 0 0 334.435 4.181 50 0 EIAARN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccccc3F)C2)n1 ZINC000257365590 563993327 /nfs/dbraw/zinc/99/33/27/563993327.db2.gz VUTUWMYMQLCZQA-KBMXLJTQSA-N 0 0 344.455 4.100 50 0 EIAARN CCOc1ccccc1NC(=O)CSc1cccc2cccnc21 ZINC000033721465 563994056 /nfs/dbraw/zinc/99/40/56/563994056.db2.gz SOLFSARRXZRMDO-UHFFFAOYSA-N 0 0 338.432 4.364 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cnc1Cl ZINC000121858605 563994270 /nfs/dbraw/zinc/99/42/70/563994270.db2.gz GOAYJVSMUVGLOH-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN COCCNc1nc(SCc2cccc(F)c2)nc2ccccc21 ZINC000033825609 563994460 /nfs/dbraw/zinc/99/44/60/563994460.db2.gz ZVYATPBKPGKNQO-UHFFFAOYSA-N 0 0 343.427 4.120 50 0 EIAARN CC[C@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccc(C)cc1 ZINC000248160824 563995337 /nfs/dbraw/zinc/99/53/37/563995337.db2.gz ONNPPRPYVMAWSU-QAPCUYQASA-N 0 0 342.508 4.243 50 0 EIAARN CCc1ccc(N2C[C@@H](c3noc(-c4cccc(C)c4)n3)CC2=O)cc1 ZINC000044415789 563995368 /nfs/dbraw/zinc/99/53/68/563995368.db2.gz QQPKYRCONBGOHS-KRWDZBQOSA-N 0 0 347.418 4.128 50 0 EIAARN COc1cc(F)c(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1F ZINC000125485741 563995553 /nfs/dbraw/zinc/99/55/53/563995553.db2.gz FUNLDFRRSIXYJP-UHFFFAOYSA-N 0 0 346.308 4.156 50 0 EIAARN Fc1ccc(-c2csc(N3CCC[C@H](c4cn[nH]c4)C3)n2)cc1 ZINC000126678600 563995762 /nfs/dbraw/zinc/99/57/62/563995762.db2.gz MOUWHDHJLONSJS-ZDUSSCGKSA-N 0 0 328.416 4.056 50 0 EIAARN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1cccc(F)c1 ZINC000001838234 563996070 /nfs/dbraw/zinc/99/60/70/563996070.db2.gz YKNRDFREVJUMQN-NTEUORMPSA-N 0 0 332.787 4.371 50 0 EIAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccco1 ZINC000000170926 563996477 /nfs/dbraw/zinc/99/64/77/563996477.db2.gz CLSPNLOZZIKLID-UHFFFAOYSA-N 0 0 348.733 4.079 50 0 EIAARN COc1cccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000179069213 563996909 /nfs/dbraw/zinc/99/69/09/563996909.db2.gz BODKPIWOHUJAAJ-LJQANCHMSA-N 0 0 339.826 4.018 50 0 EIAARN C[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)C1(F)F ZINC000252484226 563997733 /nfs/dbraw/zinc/99/77/33/563997733.db2.gz FSBNXANLCVPOPG-WQVCFCJDSA-N 0 0 345.393 4.032 50 0 EIAARN Nc1nc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000252490517 563997795 /nfs/dbraw/zinc/99/77/95/563997795.db2.gz KWAUFDAWJMJKMP-UHFFFAOYSA-N 0 0 331.297 4.088 50 0 EIAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000000424114 563998433 /nfs/dbraw/zinc/99/84/33/563998433.db2.gz LDGPMFQEVQKWNJ-UZYVYHOESA-N 0 0 347.399 4.374 50 0 EIAARN CC(C)Sc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000000422498 563998548 /nfs/dbraw/zinc/99/85/48/563998548.db2.gz HOMSSKLQGMNXNR-UHFFFAOYSA-N 0 0 325.437 4.347 50 0 EIAARN Cc1cc2ccccc2n1CCNC(=O)c1c(F)cccc1Cl ZINC000000427880 563998843 /nfs/dbraw/zinc/99/88/43/563998843.db2.gz YQFROLKQBNKQCK-UHFFFAOYSA-N 0 0 330.790 4.172 50 0 EIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)C1CCCC1 ZINC000000425762 563998954 /nfs/dbraw/zinc/99/89/54/563998954.db2.gz FGPOKTBVZIQNSB-UHFFFAOYSA-N 0 0 347.871 4.401 50 0 EIAARN Cc1noc(C)c1CSc1nnc2scc(-c3ccccc3)n12 ZINC000000211013 563999113 /nfs/dbraw/zinc/99/91/13/563999113.db2.gz WJBUHJLXIFDVAR-UHFFFAOYSA-N 0 0 342.449 4.355 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)c(F)c1 ZINC000024277148 563999487 /nfs/dbraw/zinc/99/94/87/563999487.db2.gz QMMBYWDWMOTPPL-YERXGYGTSA-N 0 0 345.439 4.445 50 0 EIAARN Nc1c2cc3c(nc2sc1[S@](=O)Cc1ccccc1)CCCC3 ZINC000000441926 563999590 /nfs/dbraw/zinc/99/95/90/563999590.db2.gz GOLZGMWGXLPYNI-QHCPKHFHSA-N 0 0 342.489 4.065 50 0 EIAARN C[C@H](c1nnc(NC(=O)Nc2ccc(F)cc2)s1)c1ccccc1 ZINC000000451951 563999807 /nfs/dbraw/zinc/99/98/07/563999807.db2.gz TYHYUGGUMZMIOG-NSHDSACASA-N 0 0 342.399 4.473 50 0 EIAARN Cc1nnc([C@@H](C)OC(=O)c2cc(C(C)C)cc(C(C)C)c2O)o1 ZINC000140643739 564000092 /nfs/dbraw/zinc/00/00/92/564000092.db2.gz PXHPLBLUPCFCAP-LLVKDONJSA-N 0 0 332.400 4.248 50 0 EIAARN O=C(Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ccccc1 ZINC000000383176 564000167 /nfs/dbraw/zinc/00/01/67/564000167.db2.gz LDHWSFNVZYGNHP-UHFFFAOYSA-N 0 0 334.249 4.031 50 0 EIAARN CNc1nc2c(s1)[C@@H](c1ccc(OC(C)C)c(OC)c1)CC(=O)N2 ZINC000061719176 564000456 /nfs/dbraw/zinc/00/04/56/564000456.db2.gz AELPXZYINXKRFJ-LLVKDONJSA-N 0 0 347.440 4.104 50 0 EIAARN Clc1ccccc1OCCSc1n[nH]c(-c2ccccc2)n1 ZINC000005209498 564000654 /nfs/dbraw/zinc/00/06/54/564000654.db2.gz RPQLZTQOKRRZSN-UHFFFAOYSA-N 0 0 331.828 4.296 50 0 EIAARN Cc1ccc(-c2cc(CNc3cc(CO)ccc3Cl)on2)cc1 ZINC000172897006 564000932 /nfs/dbraw/zinc/00/09/32/564000932.db2.gz NPTORDXQUCANFY-UHFFFAOYSA-N 0 0 328.799 4.408 50 0 EIAARN Cc1nn(C(C)C)cc1C=C(Cl)c1nc2c(C)cccc2c(=O)[nH]1 ZINC000280889787 564001161 /nfs/dbraw/zinc/00/11/61/564001161.db2.gz CVKGFHNYXXWZAA-NVNXTCNLSA-N 0 0 342.830 4.467 50 0 EIAARN C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cnccn1 ZINC000182862059 564001257 /nfs/dbraw/zinc/00/12/57/564001257.db2.gz BOFJMOWBTIQIIZ-HNNXBMFYSA-N 0 0 339.443 4.058 50 0 EIAARN C=C=Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000005234776 564001360 /nfs/dbraw/zinc/00/13/60/564001360.db2.gz PWNZKZTUJHCRPY-KRWDZBQOSA-N 0 0 343.430 4.429 50 0 EIAARN O=C(OCc1nc2ccccc2s1)c1ccc(-n2cccc2)cc1 ZINC000005260671 564001629 /nfs/dbraw/zinc/00/16/29/564001629.db2.gz ANYPECHTDQKTIA-UHFFFAOYSA-N 0 0 334.400 4.444 50 0 EIAARN COc1cccc(N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000005262073 564001656 /nfs/dbraw/zinc/00/16/56/564001656.db2.gz HTAOOTHCVROVOH-SNVBAGLBSA-N 0 0 339.222 4.441 50 0 EIAARN Cc1noc(C)c1CC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000186944832 564001788 /nfs/dbraw/zinc/00/17/88/564001788.db2.gz KWHHXZLVNMDWRM-NRFANRHFSA-N 0 0 346.430 4.305 50 0 EIAARN CCc1ccccc1NC(=O)c1cccn(Cc2ccccc2C)c1=O ZINC000005269108 564002175 /nfs/dbraw/zinc/00/21/75/564002175.db2.gz QGSHETPVXYMOFH-UHFFFAOYSA-N 0 0 346.430 4.020 50 0 EIAARN CSc1nnc2c(n1)N[C@@H]([C@H]1CC=C(C)CC1)Oc1ccccc1-2 ZINC000001020669 564002340 /nfs/dbraw/zinc/00/23/40/564002340.db2.gz FDQUHUVJYFJQDZ-YVEFUNNKSA-N 0 0 340.452 4.137 50 0 EIAARN C[C@H](SC(=S)N1CCCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000005288126 564002453 /nfs/dbraw/zinc/00/24/53/564002453.db2.gz OBVDQURZBILNQC-ZDUSSCGKSA-N 0 0 344.505 4.281 50 0 EIAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cc2c(s1)CCCC2 ZINC000005307704 564002469 /nfs/dbraw/zinc/00/24/69/564002469.db2.gz ORHKSXOAFIOHNN-UHFFFAOYSA-N 0 0 343.448 4.039 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c(C)c1 ZINC000005307784 564002488 /nfs/dbraw/zinc/00/24/88/564002488.db2.gz IPEZEIPVOGIKKB-UHFFFAOYSA-N 0 0 343.448 4.039 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN([C@H]2CCCc3ccccc32)CO1 ZINC000061997718 564002626 /nfs/dbraw/zinc/00/26/26/564002626.db2.gz ACEBAOYNILNPCN-IBGZPJMESA-N 0 0 347.414 4.331 50 0 biogenic EIAARN Cc1cccc2c1ccn2CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000062001511 564002678 /nfs/dbraw/zinc/00/26/78/564002678.db2.gz NOMRFTWFRSNCLG-UHFFFAOYSA-N 0 0 345.446 4.180 50 0 biogenic EIAARN CC(C)=CC(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000001791050 564003599 /nfs/dbraw/zinc/00/35/99/564003599.db2.gz PPBLVABCXRBYRJ-UHFFFAOYSA-N 0 0 337.242 4.477 50 0 EIAARN Cc1ccccc1-c1ccc(=O)n(Cc2c(F)cccc2Cl)n1 ZINC000005409900 564003614 /nfs/dbraw/zinc/00/36/14/564003614.db2.gz OQHYCXXLQIFNLY-UHFFFAOYSA-N 0 0 328.774 4.060 50 0 EIAARN CCCCOc1ccc2ccccc2c1C=C1SC(=O)NC1=O ZINC000002169641 564003788 /nfs/dbraw/zinc/00/37/88/564003788.db2.gz UDWOEWQITJSMED-LFIBNONCSA-N 0 0 327.405 4.343 50 0 EIAARN Cc1ccc(N2N=C(c3ccc(Br)cc3)CCC2=O)cc1 ZINC000005505683 564004784 /nfs/dbraw/zinc/00/47/84/564004784.db2.gz QMUOWXJYDYHHLJ-UHFFFAOYSA-N 0 0 343.224 4.289 50 0 EIAARN C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005507672 564004826 /nfs/dbraw/zinc/00/48/26/564004826.db2.gz RQYUGMRINWAMPF-OAHLLOKOSA-N 0 0 337.419 4.414 50 0 EIAARN CCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000005545803 564005195 /nfs/dbraw/zinc/00/51/95/564005195.db2.gz KWMBKUJSJAPCRG-ZDUSSCGKSA-N 0 0 341.842 4.325 50 0 EIAARN Cc1nc(N)sc1-c1ccnc(C2(c3ccccc3)CCCC2)n1 ZINC000095629760 564005253 /nfs/dbraw/zinc/00/52/53/564005253.db2.gz HJVDZTAIKYJORC-UHFFFAOYSA-N 0 0 336.464 4.351 50 0 EIAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1Br ZINC000005557272 564005389 /nfs/dbraw/zinc/00/53/89/564005389.db2.gz QMQVFQOSMBYLSZ-UHFFFAOYSA-N 0 0 334.257 4.148 50 0 EIAARN CCCCCNc1nc2sc3c(c2c2ncnn21)[C@H](C)CCC3 ZINC000005561487 564005587 /nfs/dbraw/zinc/00/55/87/564005587.db2.gz NMOXIKSCDXGLOX-LLVKDONJSA-N 0 0 329.473 4.381 50 0 EIAARN COc1ccc2nc(/C=C/c3ccc4c(c3)OCCO4)sc2c1 ZINC000006869996 564006675 /nfs/dbraw/zinc/00/66/75/564006675.db2.gz HIVXBQMNRKQHGG-XVNBXDOJSA-N 0 0 325.389 4.247 50 0 EIAARN O=C(CSc1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000005629173 564006734 /nfs/dbraw/zinc/00/67/34/564006734.db2.gz VOWLHNQSNOSJSV-UHFFFAOYSA-N 0 0 329.402 4.000 50 0 EIAARN COc1ccc(-c2nc3ccccc3c(NCc3cccnc3)n2)cc1 ZINC000005658273 564007081 /nfs/dbraw/zinc/00/70/81/564007081.db2.gz VVROSNMXYGXCGS-UHFFFAOYSA-N 0 0 342.402 4.313 50 0 EIAARN Cc1cc(C(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)sc1C ZINC000272300781 564007271 /nfs/dbraw/zinc/00/72/71/564007271.db2.gz XGPOZQFQJQJPCD-CYBMUJFWSA-N 0 0 329.343 4.213 50 0 EIAARN CCc1ccsc1C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273295324 564007699 /nfs/dbraw/zinc/00/76/99/564007699.db2.gz LWMKZGRFQSLXEV-SJORKVTESA-N 0 0 347.455 4.442 50 0 EIAARN CN(C(=O)CCc1ccsc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273333054 564007760 /nfs/dbraw/zinc/00/77/60/564007760.db2.gz URFXUYYOTCQXDW-ZWKOTPCHSA-N 0 0 347.455 4.199 50 0 EIAARN C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(Cl)c1 ZINC000017289197 564011503 /nfs/dbraw/zinc/01/15/03/564011503.db2.gz IFHGGYDTYPNLCZ-FZKQIMNGSA-N 0 0 328.843 4.011 50 0 EIAARN OCc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000000076809 564012258 /nfs/dbraw/zinc/01/22/58/564012258.db2.gz JGBBYHSPXVGJQY-UHFFFAOYSA-N 0 0 327.249 4.340 50 0 EIAARN O=C1c2ccccc2C(=O)N1CNc1ccc(Oc2ccccc2)cc1 ZINC000000096806 564012271 /nfs/dbraw/zinc/01/22/71/564012271.db2.gz MGXHLCANMKGZNB-UHFFFAOYSA-N 0 0 344.370 4.145 50 0 EIAARN CCC[C@H](C)NC(=O)c1cc(Br)ccc1Br ZINC000000383795 564012442 /nfs/dbraw/zinc/01/24/42/564012442.db2.gz KBNNMTPIIHXYSM-QMMMGPOBSA-N 0 0 349.066 4.130 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000000434233 564012609 /nfs/dbraw/zinc/01/26/09/564012609.db2.gz RQUWGSGJSBOYPO-UHFFFAOYSA-N 0 0 338.190 4.422 50 0 EIAARN COc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccco1 ZINC000017742665 564012898 /nfs/dbraw/zinc/01/28/98/564012898.db2.gz GOZDXWYNAMTZCT-UHFFFAOYSA-N 0 0 326.352 4.116 50 0 EIAARN CC[C@@H](NC(=O)c1cc(=O)c2cc(C)ccc2o1)c1ccc(C)cc1 ZINC000017841640 564013088 /nfs/dbraw/zinc/01/30/88/564013088.db2.gz WOZHZIFEIWFGGB-QGZVFWFLSA-N 0 0 335.403 4.291 50 0 EIAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Br)o1 ZINC000002462575 564013345 /nfs/dbraw/zinc/01/33/45/564013345.db2.gz KOAWYGBGSDTAAQ-UHFFFAOYSA-N 0 0 349.228 4.285 50 0 EIAARN O=C(Cn1c(Cl)nc2ccccc21)c1ccc(Br)cc1 ZINC000000494595 564017881 /nfs/dbraw/zinc/01/78/81/564017881.db2.gz JQPOTJSUEANJNN-UHFFFAOYSA-N 0 0 349.615 4.335 50 0 EIAARN Cc1csc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000018078979 564017904 /nfs/dbraw/zinc/01/79/04/564017904.db2.gz BZFUYZVMFKBRCO-UHFFFAOYSA-N 0 0 333.413 4.051 50 0 EIAARN Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(C)(C)C)cc1 ZINC000000496001 564017964 /nfs/dbraw/zinc/01/79/64/564017964.db2.gz KWSVJFSPGPZQRB-UHFFFAOYSA-N 0 0 335.444 4.124 50 0 EIAARN Cc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1 ZINC000018159281 564018472 /nfs/dbraw/zinc/01/84/72/564018472.db2.gz FDITWSSWIQMEGD-MRXNPFEDSA-N 0 0 343.452 4.024 50 0 EIAARN COC(=O)c1ccc(NC(=O)c2ccccc2SC(F)F)cc1 ZINC000012797864 564019218 /nfs/dbraw/zinc/01/92/18/564019218.db2.gz JEEWSPCQDAGMII-UHFFFAOYSA-N 0 0 337.347 4.040 50 0 EIAARN Cc1ccc(-n2c(=N)c3oc(-c4ccccc4)nc3n(C)c2=S)cc1 ZINC000102477150 564020042 /nfs/dbraw/zinc/02/00/42/564020042.db2.gz JKPJESUICFFQIV-UHFFFAOYSA-N 0 0 348.431 4.141 50 0 EIAARN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000000514680 564020444 /nfs/dbraw/zinc/02/04/44/564020444.db2.gz PMOHZWRHFSBNTR-ZRDIBKRKSA-N 0 0 325.408 4.227 50 0 EIAARN CCC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3OC)n2)OC1=O ZINC000000518494 564020518 /nfs/dbraw/zinc/02/05/18/564020518.db2.gz WSDGNMGDWQSZKD-XIKOKIGWSA-N 0 0 346.452 4.474 50 0 biogenic EIAARN Cc1ncsc1CC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000179070117 564021037 /nfs/dbraw/zinc/02/10/37/564021037.db2.gz PKCHRUQDEUKPNS-SFHVURJKSA-N 0 0 343.883 4.422 50 0 EIAARN c1coc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)c1 ZINC000000521839 564021079 /nfs/dbraw/zinc/02/10/79/564021079.db2.gz URIHKRCZXXJGGB-UHFFFAOYSA-N 0 0 326.359 4.288 50 0 EIAARN Cc1ccc(CSc2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)cc1 ZINC000000523915 564021175 /nfs/dbraw/zinc/02/11/75/564021175.db2.gz OXMDMUBCWQOGHL-LBPRGKRZSA-N 0 0 349.456 4.256 50 0 EIAARN CCn1nc(NC(=O)c2ccccc2C)c2cc3ccccc3nc21 ZINC000000527207 564021262 /nfs/dbraw/zinc/02/12/62/564021262.db2.gz SKVSCQRMKQDETD-UHFFFAOYSA-N 0 0 330.391 4.165 50 0 EIAARN O=C(Oc1cccc2cccnc21)c1cccc(Br)c1 ZINC000000527367 564021268 /nfs/dbraw/zinc/02/12/68/564021268.db2.gz XXXBZFQGBQSOCH-UHFFFAOYSA-N 0 0 328.165 4.217 50 0 EIAARN CC(C)Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1 ZINC000000529953 564021428 /nfs/dbraw/zinc/02/14/28/564021428.db2.gz LRGOIYRIKPHRNJ-KRWDZBQOSA-N 0 0 342.464 4.268 50 0 EIAARN Fc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 ZINC000000531225 564021643 /nfs/dbraw/zinc/02/16/43/564021643.db2.gz KTMXCDZTOSOCSP-HZPDHXFCSA-N 0 0 328.778 4.217 50 0 EIAARN CCOC(=O)c1c(C)oc2ccc(OC(=O)C3CCCCC3)cc21 ZINC000000537117 564022220 /nfs/dbraw/zinc/02/22/20/564022220.db2.gz NMAPJCCTGMSVOJ-UHFFFAOYSA-N 0 0 330.380 4.404 50 0 EIAARN NNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000000540813 564022461 /nfs/dbraw/zinc/02/24/61/564022461.db2.gz CXNKEHZWMXTZDF-UHFFFAOYSA-N 0 0 347.447 4.071 50 0 EIAARN Cc1ccc([C@]2(CC(=O)N3CCCC3)CCO[C@H](C(C)C)C2)cc1 ZINC000000554072 564023082 /nfs/dbraw/zinc/02/30/82/564023082.db2.gz YAWLRKLUJJGWHP-PZJWPPBQSA-N 0 0 329.484 4.080 50 0 EIAARN COc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1 ZINC000000553569 564023087 /nfs/dbraw/zinc/02/30/87/564023087.db2.gz VJGJZYGLLJWMJZ-UHFFFAOYSA-N 0 0 342.398 4.370 50 0 EIAARN CCC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12 ZINC000000560809 564023280 /nfs/dbraw/zinc/02/32/80/564023280.db2.gz JTSWOZOIIMKWGA-UHFFFAOYSA-N 0 0 334.419 4.490 50 0 EIAARN Cc1ccc(Cc2cnc(NC(=O)COc3ccccc3)s2)cc1 ZINC000000568189 564023537 /nfs/dbraw/zinc/02/35/37/564023537.db2.gz LDXVZHKRVHFZEZ-UHFFFAOYSA-N 0 0 338.432 4.060 50 0 EIAARN Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000024560260 564023574 /nfs/dbraw/zinc/02/35/74/564023574.db2.gz UABUENQTEIXGAL-HXUWFJFHSA-N 0 0 345.446 4.047 50 0 EIAARN COc1ccccc1C(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000014803591 564023940 /nfs/dbraw/zinc/02/39/40/564023940.db2.gz IBRGWXDULQJDAC-UHFFFAOYSA-N 0 0 343.379 4.464 50 0 EIAARN Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1 ZINC000000573715 564023967 /nfs/dbraw/zinc/02/39/67/564023967.db2.gz VIVCDAZKJCYKSV-UHFFFAOYSA-N 0 0 346.430 4.490 50 0 EIAARN Cc1ccccc1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 ZINC000000573739 564024001 /nfs/dbraw/zinc/02/40/01/564024001.db2.gz ZPBNYUOXWHPDRP-UHFFFAOYSA-N 0 0 332.403 4.181 50 0 EIAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1n[nH]c2ccccc21 ZINC000015982784 564024413 /nfs/dbraw/zinc/02/44/13/564024413.db2.gz LMCSJKMTPLGTIT-UHFFFAOYSA-N 0 0 325.371 4.386 50 0 EIAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c(C)c1 ZINC000046895163 564025448 /nfs/dbraw/zinc/02/54/48/564025448.db2.gz VILXOLCPKKIKHB-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN Cc1ccc(-c2noc(-c3ccc(NCc4ccccc4)nn3)n2)cc1 ZINC000046913641 564025478 /nfs/dbraw/zinc/02/54/78/564025478.db2.gz KQFGRZKRXJBONY-UHFFFAOYSA-N 0 0 343.390 4.114 50 0 EIAARN CSc1ccsc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000107130456 564026828 /nfs/dbraw/zinc/02/68/28/564026828.db2.gz RSJSKQYHFCVQON-HOCLYGCPSA-N 0 0 347.505 4.368 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000044845738 564027487 /nfs/dbraw/zinc/02/74/87/564027487.db2.gz DFVOWOLAPOEHAY-LLVKDONJSA-N 0 0 334.803 4.240 50 0 EIAARN C[C@@H](C(=O)N1CCC[C@H]1c1ccsc1)n1cnc2ccccc21 ZINC000044943623 564027841 /nfs/dbraw/zinc/02/78/41/564027841.db2.gz GTIYKSVVRWNTRE-BBRMVZONSA-N 0 0 325.437 4.023 50 0 EIAARN CCOc1c(Cl)cc(C(=O)N(CC)C2CCCC2)cc1OC ZINC000045487091 564028476 /nfs/dbraw/zinc/02/84/76/564028476.db2.gz HJTXHSBFKYTQFN-UHFFFAOYSA-N 0 0 325.836 4.152 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)COc3cccc(C)c3)n2)cc1 ZINC000005753572 564028516 /nfs/dbraw/zinc/02/85/16/564028516.db2.gz WHLDNMOSRBQBGH-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN O=C1OCCN1CCc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000045816885 564028733 /nfs/dbraw/zinc/02/87/33/564028733.db2.gz QGIXSOHCXUSBJU-UHFFFAOYSA-N 0 0 349.264 4.173 50 0 EIAARN O=C(NC1CCCCCCC1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000045941254 564028928 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ZINC000046078090 564029487 /nfs/dbraw/zinc/02/94/87/564029487.db2.gz IWUNQQHXXSCHGP-UHFFFAOYSA-N 0 0 347.344 4.028 50 0 EIAARN Fc1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1F ZINC000109566100 564029541 /nfs/dbraw/zinc/02/95/41/564029541.db2.gz LODLNYTVUFTFBH-UHFFFAOYSA-N 0 0 342.349 4.067 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)ns1)c1ccc2ccccc2n1 ZINC000047692654 564029654 /nfs/dbraw/zinc/02/96/54/564029654.db2.gz LFNYDGOUWUUUGI-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000048164867 564029978 /nfs/dbraw/zinc/02/99/78/564029978.db2.gz YLCKRZLKRGFNOK-UHFFFAOYSA-N 0 0 339.439 4.342 50 0 EIAARN C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)c1ccc(Cl)s1 ZINC000048149915 564029986 /nfs/dbraw/zinc/02/99/86/564029986.db2.gz FNEKRERKHZWUEL-LLVKDONJSA-N 0 0 346.843 4.470 50 0 EIAARN Cc1ccc(CN(C(=O)c2ccc(C)c(-n3cccc3)c2)C2CC2)o1 ZINC000048234194 564030081 /nfs/dbraw/zinc/03/00/81/564030081.db2.gz GKFZXDSZERWGLF-UHFFFAOYSA-N 0 0 334.419 4.492 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc2ccccc2n1 ZINC000048230893 564030261 /nfs/dbraw/zinc/03/02/61/564030261.db2.gz YSBYJZTTZHFSQS-UHFFFAOYSA-N 0 0 344.414 4.325 50 0 EIAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC1CCC(C)CC1 ZINC000048256465 564030280 /nfs/dbraw/zinc/03/02/80/564030280.db2.gz KHLBLQSWZNEYTC-UHFFFAOYSA-N 0 0 331.460 4.290 50 0 EIAARN Cc1c2cccc(F)c2oc1C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000048261354 564030281 /nfs/dbraw/zinc/03/02/81/564030281.db2.gz KTLWKHGZGLAGLQ-CYBMUJFWSA-N 0 0 340.398 4.135 50 0 EIAARN O=C(c1cc(-c2ccccc2)no1)N1CCC(Nc2ccccc2)CC1 ZINC000048292219 564030593 /nfs/dbraw/zinc/03/05/93/564030593.db2.gz WBWBLHKNRHRGLA-UHFFFAOYSA-N 0 0 347.418 4.058 50 0 EIAARN CC/C=C(\C)C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 ZINC000048281010 564030660 /nfs/dbraw/zinc/03/06/60/564030660.db2.gz WVJNONPRHPBEPJ-NYYWCZLTSA-N 0 0 332.400 4.434 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H]1c1cccs1 ZINC000048301571 564030829 /nfs/dbraw/zinc/03/08/29/564030829.db2.gz ZPKAJNGDUNZWFP-GJZGRUSLSA-N 0 0 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Cc1c(C(=O)NCc2ccccc2)oc2c1[C@@H]1N=C(C)S[C@H]1CC2 ZINC000015730024 564072667 /nfs/dbraw/zinc/07/26/67/564072667.db2.gz FZGXMEVKEVVHQY-DOTOQJQBSA-N 0 0 340.448 4.039 50 0 EIAARN O=C(c1noc2c1CCc1sccc1-2)N1CCCc2ccccc21 ZINC000015733173 564072746 /nfs/dbraw/zinc/07/27/46/564072746.db2.gz PVHUWFMWWVZRSW-UHFFFAOYSA-N 0 0 336.416 4.095 50 0 EIAARN O=C(Nc1cc(F)ccc1F)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012812810 564072904 /nfs/dbraw/zinc/07/29/04/564072904.db2.gz FZQQDZXIHPKRSN-UHFFFAOYSA-N 0 0 339.345 4.280 50 0 EIAARN Cc1cc(C)n(-c2nc3sc4c(c3c(=S)[nH]2)CC(C)(C)OC4)n1 ZINC000006062689 564073297 /nfs/dbraw/zinc/07/32/97/564073297.db2.gz LOXPOGVCHGFZHO-UHFFFAOYSA-N 0 0 346.481 4.008 50 0 EIAARN CC[C@@H](C(=O)Nc1cnc(Oc2ccccc2)nc1)c1ccccc1 ZINC000085557329 564073939 /nfs/dbraw/zinc/07/39/39/564073939.db2.gz JJVCTTBMLYUQNM-GOSISDBHSA-N 0 0 333.391 4.401 50 0 EIAARN O=C(OCc1cc(Cl)cc2c1OCOC2)c1c[nH]c2ccccc21 ZINC000006115080 564074334 /nfs/dbraw/zinc/07/43/34/564074334.db2.gz AIMQRJUCGYKSFB-UHFFFAOYSA-N 0 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COc1cc(C(=O)Nc2ccc(F)c(F)c2)nc2ccc(Cl)cc21 ZINC000015829217 564075755 /nfs/dbraw/zinc/07/57/55/564075755.db2.gz FTXIJXVAXFPYSS-UHFFFAOYSA-N 0 0 348.736 4.427 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Oc2ccc(Cl)cc2C)cc1 ZINC000000399728 564075967 /nfs/dbraw/zinc/07/59/67/564075967.db2.gz LVHXHCKFWZKZTA-UHFFFAOYSA-N 0 0 333.771 4.436 50 0 EIAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000015836490 564076375 /nfs/dbraw/zinc/07/63/75/564076375.db2.gz RDQXCCDUDCJBPI-QGZVFWFLSA-N 0 0 333.453 4.004 50 0 EIAARN c1ccc([Si](c2ccccc2)(c2ccccc2)[C@H]2C=CCCC2)cc1 ZINC000169817502 564076391 /nfs/dbraw/zinc/07/63/91/564076391.db2.gz SHHIQDXWGMPYFB-DEOSSOPVSA-N 0 0 340.542 4.267 50 0 EIAARN CC(C)C1=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000169833373 564076399 /nfs/dbraw/zinc/07/63/99/564076399.db2.gz UBXTVJCSFGEZPO-UHFFFAOYSA-N 0 0 340.542 4.052 50 0 EIAARN O=C(Nc1ccc(OC(F)F)cc1)c1sccc1-n1cccc1 ZINC000012874151 564076589 /nfs/dbraw/zinc/07/65/89/564076589.db2.gz WXBJDBSFFHYFPN-UHFFFAOYSA-N 0 0 334.347 4.393 50 0 EIAARN Brc1cccc(-c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c1 ZINC000068200503 564077214 /nfs/dbraw/zinc/07/72/14/564077214.db2.gz RCQIIBJSUWYYFU-UHFFFAOYSA-N 0 0 343.180 4.235 50 0 in-vivo EIAARN Cc1cccc(NC(=O)c2ccc(CNC(=O)c3ccccc3)o2)c1C ZINC000015868111 564077264 /nfs/dbraw/zinc/07/72/64/564077264.db2.gz WWFAFDHNHIREBM-UHFFFAOYSA-N 0 0 348.402 4.079 50 0 EIAARN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccco1 ZINC000012883117 564077405 /nfs/dbraw/zinc/07/74/05/564077405.db2.gz KQWVDAXMCLDHDD-ZENHMJIWSA-N 0 0 329.399 4.307 50 0 EIAARN O=C(COc1cccc2ccccc21)NCCCOC1CCCCC1 ZINC000012887435 564077474 /nfs/dbraw/zinc/07/74/74/564077474.db2.gz PNFXIPXTMDNSDM-UHFFFAOYSA-N 0 0 341.451 4.074 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)CCCNC(=O)c1cccs1 ZINC000012901643 564077734 /nfs/dbraw/zinc/07/77/34/564077734.db2.gz ZQAUJZWDQFPZGH-UHFFFAOYSA-N 0 0 344.480 4.329 50 0 EIAARN COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000012911361 564077955 /nfs/dbraw/zinc/07/79/55/564077955.db2.gz XMVDIDQLAZHLKV-IBGZPJMESA-N 0 0 349.434 4.391 50 0 EIAARN CC[C@H](NC(=O)CCC(=O)c1ccc(C)s1)c1ccc(OC)cc1 ZINC000012915012 564078037 /nfs/dbraw/zinc/07/80/37/564078037.db2.gz LHZLAYZFXJLGGM-INIZCTEOSA-N 0 0 345.464 4.296 50 0 EIAARN Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3cc4ccccc4o3)cc12 ZINC000012917584 564078150 /nfs/dbraw/zinc/07/81/50/564078150.db2.gz UXGNFCJWWNILMM-NSHDSACASA-N 0 0 339.420 4.180 50 0 EIAARN CC(C)c1c(C(=O)Nc2nccs2)cnn1-c1ccc(Cl)cc1 ZINC000012920922 564078386 /nfs/dbraw/zinc/07/83/86/564078386.db2.gz LPVFEBLPRBKOQA-UHFFFAOYSA-N 0 0 346.843 4.358 50 0 EIAARN O=C(Nc1cccc(Cl)c1Cl)c1cccc(N2CCCC2=O)c1 ZINC000012922998 564078435 /nfs/dbraw/zinc/07/84/35/564078435.db2.gz NKFMEONXVNIASY-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000012929356 564078643 /nfs/dbraw/zinc/07/86/43/564078643.db2.gz BVTJSRZSQLBFFC-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN CCCCCCC(=O)N[C@H](NC(C)(C)C)C(Cl)(Cl)Cl ZINC000019925275 564078663 /nfs/dbraw/zinc/07/86/63/564078663.db2.gz HCPHPNMDYMTNTH-LLVKDONJSA-N 0 0 331.715 4.157 50 0 EIAARN Cc1ccc(C)c([C@H](C)N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000012930706 564078757 /nfs/dbraw/zinc/07/87/57/564078757.db2.gz HKVMECSBZKQILW-YWZLYKJASA-N 0 0 340.442 4.113 50 0 EIAARN Cc1csc([C@@H](NC(=O)N(Cc2ccccc2)C2CC2)C2CC2)n1 ZINC000074669093 564078954 /nfs/dbraw/zinc/07/89/54/564078954.db2.gz ZGHVQZRQVDUPIP-KRWDZBQOSA-N 0 0 341.480 4.277 50 0 EIAARN Cc1csc([C@@H](NC(=O)NC2(c3cccc(F)c3)CC2)C2CC2)n1 ZINC000074666622 564078959 /nfs/dbraw/zinc/07/89/59/564078959.db2.gz USXAHOGVNZLEMP-HNNXBMFYSA-N 0 0 345.443 4.030 50 0 EIAARN Cc1ccc2cccc(NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)c2n1 ZINC000088381319 564079040 /nfs/dbraw/zinc/07/90/40/564079040.db2.gz YXKABBLPZKCGDX-MRXNPFEDSA-N 0 0 335.411 4.025 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000012935152 564079176 /nfs/dbraw/zinc/07/91/76/564079176.db2.gz MOOTVQREWWKCQT-ZDUSSCGKSA-N 0 0 335.403 4.297 50 0 EIAARN CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000012936213 564079270 /nfs/dbraw/zinc/07/92/70/564079270.db2.gz VXVIILGBUBXKMR-NSHDSACASA-N 0 0 347.871 4.221 50 0 EIAARN CSc1ccc(CN(C)C(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000012938596 564079404 /nfs/dbraw/zinc/07/94/04/564079404.db2.gz OHVDRJOHVGTZHD-UHFFFAOYSA-N 0 0 338.476 4.481 50 0 EIAARN O=C(Nc1ccc(F)cc1Cl)N(C[C@@H](O)c1ccccc1)C1CC1 ZINC000075094177 564079920 /nfs/dbraw/zinc/07/99/20/564079920.db2.gz IHYFPIFKLUIKDK-QGZVFWFLSA-N 0 0 348.805 4.209 50 0 EIAARN CC[C@H](C)CN(CC)C(=O)c1csc(Cc2ccccc2F)n1 ZINC000075093086 564079979 /nfs/dbraw/zinc/07/99/79/564079979.db2.gz HZBQOZSTHLQAHE-ZDUSSCGKSA-N 0 0 334.460 4.381 50 0 EIAARN Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)Nc1ccccc1C ZINC000075093749 564079995 /nfs/dbraw/zinc/07/99/95/564079995.db2.gz MBNVGFCSKRJPMS-UHFFFAOYSA-N 0 0 339.826 4.454 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1CNc1ccncc1Cl ZINC000075103582 564080054 /nfs/dbraw/zinc/08/00/54/564080054.db2.gz GVDPIWAZMNQCFU-UHFFFAOYSA-N 0 0 326.831 4.209 50 0 EIAARN CC[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)c1c(C)noc1C ZINC000075126585 564080371 /nfs/dbraw/zinc/08/03/71/564080371.db2.gz DXASUEVVTHVCGN-CYBMUJFWSA-N 0 0 343.452 4.053 50 0 EIAARN O=C([C@H](NCc1cc2ccccc2[nH]1)c1ccccc1)N1CCCCC1 ZINC000075126193 564080415 /nfs/dbraw/zinc/08/04/15/564080415.db2.gz HKAVOAZNDGQVOU-OAQYLSRUSA-N 0 0 347.462 4.011 50 0 EIAARN C[C@@H](C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccsc1 ZINC000075142966 564080597 /nfs/dbraw/zinc/08/05/97/564080597.db2.gz AYOLVKYJIDLDSM-BZNIZROVSA-N 0 0 341.436 4.218 50 0 EIAARN Cc1nc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)n(C)c2)cs1 ZINC000016205914 564080769 /nfs/dbraw/zinc/08/07/69/564080769.db2.gz YJWWDSLNYMWMNG-UHFFFAOYSA-N 0 0 325.437 4.326 50 0 EIAARN O=C(c1cccs1)N(CCc1cccs1)Cc1cccnc1 ZINC000075154735 564080807 /nfs/dbraw/zinc/08/08/07/564080807.db2.gz CQAGXVWQGZWBRG-UHFFFAOYSA-N 0 0 328.462 4.090 50 0 EIAARN O=C(c1ccsc1)N1CCC(COCc2ccc(Cl)cc2)CC1 ZINC000075156576 564080914 /nfs/dbraw/zinc/08/09/14/564080914.db2.gz 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/nfs/dbraw/zinc/08/25/15/564082515.db2.gz BQYRWTDOUBMPGY-UHFFFAOYSA-N 0 0 325.339 4.027 50 0 EIAARN COc1ccc(C(=O)NCc2ccc(-c3ccsc3)o2)cc1F ZINC000575609832 564082570 /nfs/dbraw/zinc/08/25/70/564082570.db2.gz HWCARYMLLOZRNV-UHFFFAOYSA-N 0 0 331.368 4.086 50 0 EIAARN O=C(NOCc1ccccc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000063914897 564083140 /nfs/dbraw/zinc/08/31/40/564083140.db2.gz PGEBWJQMOPAYJB-UHFFFAOYSA-N 0 0 332.812 4.258 50 0 EIAARN O=C(Nc1c(F)cccc1F)N1CCc2sc(Cl)cc2C1 ZINC000575615688 564083427 /nfs/dbraw/zinc/08/34/27/564083427.db2.gz HALADJYWVHZIDY-UHFFFAOYSA-N 0 0 328.771 4.270 50 0 EIAARN CCc1ccc(NC(=S)Nc2sc(C)cc2C(=O)OC)cc1 ZINC000006283938 564083571 /nfs/dbraw/zinc/08/35/71/564083571.db2.gz RSSIABDSBBDVDY-UHFFFAOYSA-N 0 0 334.466 4.214 50 0 EIAARN O=C(N1CCC(Oc2ccsc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000575618198 564083614 /nfs/dbraw/zinc/08/36/14/564083614.db2.gz FJGNTPHRVGYYOU-UHFFFAOYSA-N 0 0 345.508 4.334 50 0 EIAARN CC1CCN(c2nc3ccccc3n2CC(=O)c2ccccc2)CC1 ZINC000006294181 564083648 /nfs/dbraw/zinc/08/36/48/564083648.db2.gz SALAVIQMNUVQCC-UHFFFAOYSA-N 0 0 333.435 4.156 50 0 EIAARN O=C(NCC[C@H](CCO)c1cccs1)c1cc2ccccc2s1 ZINC000575619998 564083830 /nfs/dbraw/zinc/08/38/30/564083830.db2.gz HJLRPFGIEHIGGL-CYBMUJFWSA-N 0 0 345.489 4.249 50 0 EIAARN O=C(NCc1cncc(-c2ccoc2)c1)c1cccc2ccccc21 ZINC000575621436 564083979 /nfs/dbraw/zinc/08/39/79/564083979.db2.gz XPDDLUIEEIMRHD-UHFFFAOYSA-N 0 0 328.371 4.425 50 0 EIAARN O=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1O ZINC000669369923 564084015 /nfs/dbraw/zinc/08/40/15/564084015.db2.gz PEWFBHHKKPSQDS-UHFFFAOYSA-N 0 0 334.371 4.363 50 0 EIAARN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000001230500 564084366 /nfs/dbraw/zinc/08/43/66/564084366.db2.gz CISITBRPEMDNKG-SNVBAGLBSA-N 0 0 330.236 4.033 50 0 EIAARN Brc1ccc(CN[C@H](c2nccs2)c2ccccc2)o1 ZINC000190908664 564084442 /nfs/dbraw/zinc/08/44/42/564084442.db2.gz KFMUKBDBTQQLKO-AWEZNQCLSA-N 0 0 349.253 4.378 50 0 EIAARN Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012604138 564084503 /nfs/dbraw/zinc/08/45/03/564084503.db2.gz RQHXBABKEVNKJI-JXOMPUQVSA-N 0 0 331.419 4.248 50 0 EIAARN COc1ccccc1NC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000006320180 564084608 /nfs/dbraw/zinc/08/46/08/564084608.db2.gz XHKIIDLZLIYVCN-UHFFFAOYSA-N 0 0 333.391 4.325 50 0 EIAARN Cc1c2ccccc2oc1-c1nnc(C(=O)NCc2cccc(C)c2)o1 ZINC000075437469 564084743 /nfs/dbraw/zinc/08/47/43/564084743.db2.gz ACOTUMHSMBECJF-UHFFFAOYSA-N 0 0 347.374 4.030 50 0 EIAARN Cc1cc(NC(=O)c2cnc(C(C)C)nc2C)ccc1Br ZINC000075437018 564084744 /nfs/dbraw/zinc/08/47/44/564084744.db2.gz CLPAIBVDFHASPR-UHFFFAOYSA-N 0 0 348.244 4.232 50 0 EIAARN COc1ccccc1NC(=O)NCc1sc(-c2ccco2)nc1C ZINC000090593432 564084843 /nfs/dbraw/zinc/08/48/43/564084843.db2.gz BOYPSJAWEHTVEJ-UHFFFAOYSA-N 0 0 343.408 4.042 50 0 EIAARN O=C(Nc1ccc(Cl)cc1F)c1cccc(Br)c1 ZINC000006330622 564085174 /nfs/dbraw/zinc/08/51/74/564085174.db2.gz IJZQOOWTVAOCFT-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(C2SCCS2)cc1 ZINC000006335996 564085208 /nfs/dbraw/zinc/08/52/08/564085208.db2.gz RRXZWFWXBXGTEG-UHFFFAOYSA-N 0 0 345.445 4.146 50 0 EIAARN CCCCCCc1ccc(C(=O)CSc2nnc(N)s2)cc1 ZINC000013005608 564086397 /nfs/dbraw/zinc/08/63/97/564086397.db2.gz VYMHKRFORUELJO-UHFFFAOYSA-N 0 0 335.498 4.218 50 0 EIAARN Cc1c(Cl)cnn1[C@@H](C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000006413287 564085629 /nfs/dbraw/zinc/08/56/29/564085629.db2.gz PUIVAPHRKNSZIW-IWERZKIRSA-N 0 0 346.862 4.305 50 0 EIAARN Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)n1 ZINC000006406038 564085673 /nfs/dbraw/zinc/08/56/73/564085673.db2.gz RDQOXXRYLXSQIE-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000012984225 564085759 /nfs/dbraw/zinc/08/57/59/564085759.db2.gz IJFWCVODJHHGNJ-ZDUSSCGKSA-N 0 0 348.240 4.472 50 0 EIAARN COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OC ZINC000028539859 564085795 /nfs/dbraw/zinc/08/57/95/564085795.db2.gz FGXKGXPGBXPAAC-UHFFFAOYSA-N 0 0 333.185 4.010 50 0 EIAARN Cc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2ccco2)s1 ZINC000030471406 564085805 /nfs/dbraw/zinc/08/58/05/564085805.db2.gz ZWJMCKBCDYRCQL-CMDGGOBGSA-N 0 0 327.405 4.485 50 0 EIAARN CCCc1nc2cc(CCC(=O)NCc3ccc(CC)cc3)ccc2[nH]1 ZINC000075465711 564086002 /nfs/dbraw/zinc/08/60/02/564086002.db2.gz XCCLXEYLJPCZPM-UHFFFAOYSA-N 0 0 349.478 4.327 50 0 EIAARN CSc1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000000075092 564086059 /nfs/dbraw/zinc/08/60/59/564086059.db2.gz KOQNLKBETRXGBU-UHFFFAOYSA-N 0 0 343.477 4.470 50 0 EIAARN Cc1cc(NC(=O)CCC(=O)c2ccccc2)ccc1Br ZINC000006432956 564086778 /nfs/dbraw/zinc/08/67/78/564086778.db2.gz JEKLMNDFQAZYGX-UHFFFAOYSA-N 0 0 346.224 4.359 50 0 EIAARN COc1ccc2nc(NC(=O)CCCc3cccs3)sc2c1 ZINC000013020557 564086882 /nfs/dbraw/zinc/08/68/82/564086882.db2.gz DLCRIYHSGHCJQK-UHFFFAOYSA-N 0 0 332.450 4.328 50 0 EIAARN Cc1cccc(CNC(=O)Cc2csc(-c3ccsc3)n2)c1 ZINC000013020745 564086894 /nfs/dbraw/zinc/08/68/94/564086894.db2.gz JRSYSRAGKIWEDF-UHFFFAOYSA-N 0 0 328.462 4.039 50 0 EIAARN Cc1cccc(-n2cc(C3CCN(C(=O)C4CCCC4)CC3)cn2)c1 ZINC000075500817 564087072 /nfs/dbraw/zinc/08/70/72/564087072.db2.gz VTFUZNNROWQBEO-UHFFFAOYSA-N 0 0 337.467 4.077 50 0 EIAARN CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000239235337 564088019 /nfs/dbraw/zinc/08/80/19/564088019.db2.gz VUHHPCNWKDEWOX-MAZHCROVSA-N 0 0 335.831 4.203 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)c2c(Cl)nccc2C(F)(F)F)[C@H]1C ZINC000239667204 564088224 /nfs/dbraw/zinc/08/82/24/564088224.db2.gz BPKIMIYFOLDNPK-WCABBAIRSA-N 0 0 334.769 4.308 50 0 EIAARN CN(Cc1ccc(C(C)(C)C)s1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000092072836 564088838 /nfs/dbraw/zinc/08/88/38/564088838.db2.gz BDXTXAGMIWAPSR-HNNXBMFYSA-N 0 0 349.521 4.006 50 0 EIAARN CS(=O)(=O)Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000092169862 564088883 /nfs/dbraw/zinc/08/88/83/564088883.db2.gz VXCOAILFJZCUIU-XJKSGUPXSA-N 0 0 341.904 4.265 50 0 EIAARN Cn1cc(CNc2ccccc2OC(C)(C)C)c(-c2ccncc2)n1 ZINC000092170795 564088894 /nfs/dbraw/zinc/08/88/94/564088894.db2.gz UYJQTDANUXZNCQ-UHFFFAOYSA-N 0 0 336.439 4.272 50 0 EIAARN C[C@H](NC(=O)N(C)[C@@H](C)c1cccnc1)C(C)(C)c1ccccc1 ZINC000075582594 564089698 /nfs/dbraw/zinc/08/96/98/564089698.db2.gz MEDWFALGFGYFMQ-HOTGVXAUSA-N 0 0 325.456 4.150 50 0 EIAARN CN(Cc1cc2ccccc2o1)C(=O)N[C@@H](c1nccs1)C1CC1 ZINC000089350832 564089757 /nfs/dbraw/zinc/08/97/57/564089757.db2.gz CSVSMBCTDVHTHY-MRXNPFEDSA-N 0 0 341.436 4.182 50 0 EIAARN CN(Cc1cc2ccccc2o1)C(=O)N[C@H](c1nccs1)C1CC1 ZINC000089350837 564089760 /nfs/dbraw/zinc/08/97/60/564089760.db2.gz CSVSMBCTDVHTHY-INIZCTEOSA-N 0 0 341.436 4.182 50 0 EIAARN CN(Cc1cscn1)Cc1cccc(NCc2cccc(O)c2)c1 ZINC000089361115 564089800 /nfs/dbraw/zinc/08/98/00/564089800.db2.gz GBCCAELQOBELRT-UHFFFAOYSA-N 0 0 339.464 4.093 50 0 EIAARN COCCCNc1nc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000001910699 564089924 /nfs/dbraw/zinc/08/99/24/564089924.db2.gz SRUSZWDWERXECP-UHFFFAOYSA-N 0 0 327.815 4.399 50 0 EIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1 ZINC000006480393 564089971 /nfs/dbraw/zinc/08/99/71/564089971.db2.gz AJJHBUGGLDGQCQ-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN COC(=O)Nc1cccc(NCc2c[nH]nc2-c2ccccc2F)c1 ZINC000089401200 564090013 /nfs/dbraw/zinc/09/00/13/564090013.db2.gz SQDFUGCOCUBBBA-UHFFFAOYSA-N 0 0 340.358 4.006 50 0 EIAARN Cc1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)ns1 ZINC000278577594 564090316 /nfs/dbraw/zinc/09/03/16/564090316.db2.gz KZLMFKNACKXNFN-UHFFFAOYSA-N 0 0 349.525 4.225 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)c2cnc3onc(C)c3c2)CC1 ZINC000026895986 564090343 /nfs/dbraw/zinc/09/03/43/564090343.db2.gz RKKSVSVKGNJLKE-UHFFFAOYSA-N 0 0 329.444 4.256 50 0 EIAARN CCCCc1cc(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 ZINC000001902756 564090586 /nfs/dbraw/zinc/09/05/86/564090586.db2.gz GWTDTAKAGUOIEO-UHFFFAOYSA-N 0 0 336.387 4.397 50 0 biogenic EIAARN O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)C1CCCCC1 ZINC000006509310 564091291 /nfs/dbraw/zinc/09/12/91/564091291.db2.gz RADMAPMQDHVDHN-UHFFFAOYSA-N 0 0 345.386 4.021 50 0 EIAARN Cc1cccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000002022097 564091409 /nfs/dbraw/zinc/09/14/09/564091409.db2.gz WINNVZPCKSWFTO-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN Cc1noc(C)c1C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000089526125 564091652 /nfs/dbraw/zinc/09/16/52/564091652.db2.gz HBFVEFMHCUIRMF-UHFFFAOYSA-N 0 0 347.484 4.065 50 0 EIAARN CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000006552574 564091922 /nfs/dbraw/zinc/09/19/22/564091922.db2.gz BWRFDFOTYXDYHZ-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN Cc1nnc([C@H](C)SCc2cccc(C(=O)OC(C)(C)C)c2)o1 ZINC000192593832 564092136 /nfs/dbraw/zinc/09/21/36/564092136.db2.gz MHQLHFYSXMJILS-NSHDSACASA-N 0 0 334.441 4.328 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000006586872 564092279 /nfs/dbraw/zinc/09/22/79/564092279.db2.gz IWNWNTJRKVHOQA-XXWNAHEMSA-N 0 0 347.886 4.440 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000006587919 564092365 /nfs/dbraw/zinc/09/23/65/564092365.db2.gz ZNCJWUGGPGMIPX-AWEZNQCLSA-N 0 0 325.408 4.153 50 0 EIAARN CCc1ccc2nc(NC(=O)Cc3noc4ccccc34)sc2c1 ZINC000006590039 564092402 /nfs/dbraw/zinc/09/24/02/564092402.db2.gz URYVMJHOWSIXGN-UHFFFAOYSA-N 0 0 337.404 4.181 50 0 EIAARN CCCOC(=O)c1nc2ccccc2nc1NCc1ccc(C)cc1 ZINC000064580509 564092465 /nfs/dbraw/zinc/09/24/65/564092465.db2.gz YYOWHDXNKCATBA-UHFFFAOYSA-N 0 0 335.407 4.117 50 0 EIAARN Cc1ccc(CNc2nc3ccccc3nc2C(=O)OC(C)C)cc1 ZINC000064580512 564092487 /nfs/dbraw/zinc/09/24/87/564092487.db2.gz HIJBABWLRSIWFO-UHFFFAOYSA-N 0 0 335.407 4.116 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000064580974 564092497 /nfs/dbraw/zinc/09/24/97/564092497.db2.gz GTFGZLRMABVPCK-UHFFFAOYSA-N 0 0 346.217 4.109 50 0 EIAARN Cc1ccc(CN(C)C(=O)COc2ccccc2-c2ccccc2)o1 ZINC000006601520 564092685 /nfs/dbraw/zinc/09/26/85/564092685.db2.gz NXVREGBFAOCCCL-UHFFFAOYSA-N 0 0 335.403 4.292 50 0 EIAARN COCc1nsc(N[C@H](C)c2sc(-c3ccccc3)nc2C)n1 ZINC000267359315 564093141 /nfs/dbraw/zinc/09/31/41/564093141.db2.gz HYAGEAMTQSGXJY-LLVKDONJSA-N 0 0 346.481 4.290 50 0 EIAARN COCC1(N(C)C(=O)c2ccc(-c3ccc(Cl)cc3F)cc2)CC1 ZINC000426387318 564093532 /nfs/dbraw/zinc/09/35/32/564093532.db2.gz RSWAVSYDURKTBQ-UHFFFAOYSA-N 0 0 347.817 4.397 50 0 EIAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CC=C(C)CC3)c2c1 ZINC000426507821 564093901 /nfs/dbraw/zinc/09/39/01/564093901.db2.gz CMAUGFFUXGIZHH-UHFFFAOYSA-N 0 0 343.430 4.397 50 0 EIAARN CC[C@@H]1COCCN1C(=O)c1cccc(-c2nccc3ccccc32)c1 ZINC000426689084 564094379 /nfs/dbraw/zinc/09/43/79/564094379.db2.gz CDUWMYJGAFYPTI-LJQANCHMSA-N 0 0 346.430 4.153 50 0 EIAARN O=C(OCc1nc2ccccc2s1)c1ccc(Br)o1 ZINC000006612227 564094542 /nfs/dbraw/zinc/09/45/42/564094542.db2.gz FDSMIUCMRGUGBN-UHFFFAOYSA-N 0 0 338.182 4.009 50 0 EIAARN CCOc1ccccc1OCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000006618600 564094575 /nfs/dbraw/zinc/09/45/75/564094575.db2.gz WECGDVMVAOCRFP-SFHVURJKSA-N 0 0 339.435 4.048 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)c3cn4ccccc4n3)c2)cs1 ZINC000006647711 564094906 /nfs/dbraw/zinc/09/49/06/564094906.db2.gz OTXVEQDBXFIYMA-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN Cc1ccc(-c2cn3ccn(-c4cccc(Cl)c4)c(=O)c3n2)cc1 ZINC000064675364 564095118 /nfs/dbraw/zinc/09/51/18/564095118.db2.gz KMTZSLKFXIKVKC-UHFFFAOYSA-N 0 0 335.794 4.114 50 0 EIAARN Cc1cccnc1NC(=O)c1cccnc1-c1nc2ccccc2s1 ZINC000006673054 564095772 /nfs/dbraw/zinc/09/57/72/564095772.db2.gz ZVMWFWVREVZIFS-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN CC[C@@H](C)NC(=O)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000064747402 564095808 /nfs/dbraw/zinc/09/58/08/564095808.db2.gz DKUFWSCFJONSOD-RISCZKNCSA-N 0 0 348.834 4.035 50 0 EIAARN CC(C)n1cnc2cc(CNC(=O)c3cc(F)ccc3Cl)ccc21 ZINC000064754950 564095871 /nfs/dbraw/zinc/09/58/71/564095871.db2.gz UHPHDCNHBLSPDD-UHFFFAOYSA-N 0 0 345.805 4.340 50 0 EIAARN CC(C)[C@@H]1COC(c2cccn2Cc2ccccc2Br)=N1 ZINC000006729619 564096620 /nfs/dbraw/zinc/09/66/20/564096620.db2.gz DWJKXIGNOKJAEQ-HNNXBMFYSA-N 0 0 347.256 4.100 50 0 EIAARN COc1cccc(Nc2ncnc3c(-c4ccc(C)cc4)noc32)c1 ZINC000064820869 564096623 /nfs/dbraw/zinc/09/66/23/564096623.db2.gz KFNWPXHPNIPIEW-UHFFFAOYSA-N 0 0 332.363 4.345 50 0 EIAARN CCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000006747376 564096911 /nfs/dbraw/zinc/09/69/11/564096911.db2.gz QQCLJUZQJBYRMH-UHFFFAOYSA-N 0 0 325.364 4.114 50 0 EIAARN CC(C)(C)c1ccc([C@H]2NC(=O)c3[nH]nc(-c4cccs4)c32)cc1 ZINC000006753372 564097191 /nfs/dbraw/zinc/09/71/91/564097191.db2.gz CEIZFTXJIDTWRF-OAHLLOKOSA-N 0 0 337.448 4.269 50 0 EIAARN O=C(/C=C/c1ccccc1)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000006758185 564097256 /nfs/dbraw/zinc/09/72/56/564097256.db2.gz XKVJRQUKSUKXOF-VAWYXSNFSA-N 0 0 346.455 4.408 50 0 EIAARN Cc1ccc(C)c(NC(=O)Nc2nnc(N3CCC[C@H](C)C3)s2)c1 ZINC000006768370 564097414 /nfs/dbraw/zinc/09/74/14/564097414.db2.gz ONRVOBOFUAQXGW-LBPRGKRZSA-N 0 0 345.472 4.035 50 0 EIAARN Cc1cc(C)cc(NC(=O)Nc2nnc(N3CCCCCC3)s2)c1 ZINC000006768095 564097438 /nfs/dbraw/zinc/09/74/38/564097438.db2.gz REYKODSPHIKDRI-UHFFFAOYSA-N 0 0 345.472 4.179 50 0 EIAARN O=C(NCc1ccco1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000006774680 564097530 /nfs/dbraw/zinc/09/75/30/564097530.db2.gz NAIORZJBZMEZTD-UHFFFAOYSA-N 0 0 343.386 4.062 50 0 EIAARN CCCS(=O)(=O)Oc1ccc(C)cc1-c1nc2c(cccc2C)o1 ZINC000006775948 564097577 /nfs/dbraw/zinc/09/75/77/564097577.db2.gz HWOIKCDBUIUEJQ-UHFFFAOYSA-N 0 0 345.420 4.230 50 0 EIAARN CCOc1ccc(OCc2ccc(C(=O)NCC(C)C)cc2)cc1 ZINC000006784115 564097617 /nfs/dbraw/zinc/09/76/17/564097617.db2.gz NSNYNCJBQBJTMP-UHFFFAOYSA-N 0 0 327.424 4.050 50 0 EIAARN CNC(=O)CCCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000006782885 564097637 /nfs/dbraw/zinc/09/76/37/564097637.db2.gz GCBOPTLCGZJKNP-UHFFFAOYSA-N 0 0 340.854 4.412 50 0 EIAARN Cc1noc(C)c1CSCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000006784861 564097703 /nfs/dbraw/zinc/09/77/03/564097703.db2.gz YRVAWGKXDHEXQE-UHFFFAOYSA-N 0 0 329.421 4.448 50 0 EIAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000006789979 564097898 /nfs/dbraw/zinc/09/78/98/564097898.db2.gz DVHAYIINGNHFII-IBGZPJMESA-N 0 0 343.398 4.114 50 0 EIAARN CCC[NH2+]Cc1c2ccccc2n(Cc2ccc(C)cc2)c1C(=O)[O-] ZINC000006803259 564098296 /nfs/dbraw/zinc/09/82/96/564098296.db2.gz BHZDAJONIDERAR-UHFFFAOYSA-N 0 0 336.435 4.196 50 0 EIAARN Cc1cccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccccc2)c1 ZINC000064956388 564098448 /nfs/dbraw/zinc/09/84/48/564098448.db2.gz ZFWKGOHRHFFTFH-UHFFFAOYSA-N 0 0 342.402 4.040 50 0 EIAARN COC(=O)c1ccc(NC(=O)Cc2coc3c2ccc(C)c3C)cc1 ZINC000006809907 564098499 /nfs/dbraw/zinc/09/84/99/564098499.db2.gz SKFJUKNORGTCPS-UHFFFAOYSA-N 0 0 337.375 4.017 50 0 EIAARN O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)cc1 ZINC000006810801 564098594 /nfs/dbraw/zinc/09/85/94/564098594.db2.gz ULOCIKPSNXKEJF-UHFFFAOYSA-N 0 0 345.761 4.100 50 0 EIAARN CCCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2ccc(C)nc21 ZINC000006817236 564098691 /nfs/dbraw/zinc/09/86/91/564098691.db2.gz HWSUPBXYCJAXKH-UHFFFAOYSA-N 0 0 334.419 4.044 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1noc2c1CSc1ccccc1-2 ZINC000006817379 564098701 /nfs/dbraw/zinc/09/87/01/564098701.db2.gz AMYXAXKPKPSCFN-UHFFFAOYSA-N 0 0 340.379 4.016 50 0 EIAARN CCNc1c2ccccc2oc(=O)c1NC(=O)c1ccc(Cl)cc1 ZINC000006823193 564098940 /nfs/dbraw/zinc/09/89/40/564098940.db2.gz OUXMLRVDNUXQGU-UHFFFAOYSA-N 0 0 342.782 4.131 50 0 EIAARN CCN(C(=O)c1cccc(OC)c1)c1nc(-c2ccccc2)cs1 ZINC000006826624 564098964 /nfs/dbraw/zinc/09/89/64/564098964.db2.gz WGOUANLUGXLLOI-UHFFFAOYSA-N 0 0 338.432 4.485 50 0 EIAARN O=C(NCc1cccs1)c1cccnc1Sc1ccccc1 ZINC000006841402 564099367 /nfs/dbraw/zinc/09/93/67/564099367.db2.gz KCQAXKWXLMAQSQ-UHFFFAOYSA-N 0 0 326.446 4.224 50 0 EIAARN CCOc1ccccc1NC(=O)N1C[C@@H](CC)Oc2ccccc21 ZINC000006844590 564099565 /nfs/dbraw/zinc/09/95/65/564099565.db2.gz OYRPEJLNRUDAHB-CQSZACIVSA-N 0 0 326.396 4.295 50 0 EIAARN CC(C)c1ccc(-c2ccnc3c(C(=O)NC4CCCC4)cnn32)cc1 ZINC000065026669 564099668 /nfs/dbraw/zinc/09/96/68/564099668.db2.gz RWAFUOKBNPCGRV-UHFFFAOYSA-N 0 0 348.450 4.192 50 0 EIAARN O=C(CSc1ccc(-c2cccs2)nn1)Nc1ccc(F)cc1 ZINC000006858772 564099750 /nfs/dbraw/zinc/09/97/50/564099750.db2.gz REDQLYRNJGEKHF-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN C[C@@H](C1CC1)n1nccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000156881589 564099870 /nfs/dbraw/zinc/09/98/70/564099870.db2.gz DBZYHZZQJUNJLF-ZDUSSCGKSA-N 0 0 342.468 4.237 50 0 EIAARN Cc1ccc2onc(CNC(=O)Nc3ccc(C)cc3Cl)c2c1 ZINC000006866109 564100085 /nfs/dbraw/zinc/10/00/85/564100085.db2.gz PYZDCVCTLXPJAR-UHFFFAOYSA-N 0 0 329.787 4.420 50 0 EIAARN Cc1ccc(N2C[C@H](c3noc(-c4cc(C)ccc4C)n3)CC2=O)cc1 ZINC000169755367 564100160 /nfs/dbraw/zinc/10/01/60/564100160.db2.gz CNOFRGQPKLFTSH-MRXNPFEDSA-N 0 0 347.418 4.182 50 0 EIAARN Cc1cc(C)c(NC(=O)C(=O)c2cccn2Cc2ccccc2)c(C)c1 ZINC000065084163 564100807 /nfs/dbraw/zinc/10/08/07/564100807.db2.gz OSSGTZZRXMQCCZ-UHFFFAOYSA-N 0 0 346.430 4.283 50 0 EIAARN Fc1cccc(-c2noc(-c3ccc(N4CCCCCC4)nc3)n2)c1 ZINC000065097899 564101066 /nfs/dbraw/zinc/10/10/66/564101066.db2.gz HYWSOEZAVYVNKN-UHFFFAOYSA-N 0 0 338.386 4.318 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1noc2c1CCc1sccc1-2 ZINC000006915942 564101319 /nfs/dbraw/zinc/10/13/19/564101319.db2.gz RYPNKXWLGLBVTQ-UHFFFAOYSA-N 0 0 332.331 4.032 50 0 EIAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1C ZINC000065114115 564101337 /nfs/dbraw/zinc/10/13/37/564101337.db2.gz GVIMNXPVVPWKSZ-UHFFFAOYSA-N 0 0 341.798 4.430 50 0 EIAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 ZINC000006919774 564101402 /nfs/dbraw/zinc/10/14/02/564101402.db2.gz JHVQUIMLCZXUTO-ZDUSSCGKSA-N 0 0 339.460 4.497 50 0 EIAARN O=c1c(SCc2c(F)cccc2Cl)nccn1-c1ccccc1 ZINC000006915169 564101431 /nfs/dbraw/zinc/10/14/31/564101431.db2.gz SFKAGFUGWYYFQL-UHFFFAOYSA-N 0 0 346.814 4.317 50 0 EIAARN COc1ccc(C)cc1NC(=O)N1CCc2cn(C)c3cccc(c23)C1 ZINC000065148947 564101666 /nfs/dbraw/zinc/10/16/66/564101666.db2.gz VSHXSODEUNLZLE-UHFFFAOYSA-N 0 0 349.434 4.086 50 0 EIAARN COc1ccc(/C=C/c2nc(-c3ccc4oc(C)nc4c3)no2)cc1 ZINC000065149593 564101765 /nfs/dbraw/zinc/10/17/65/564101765.db2.gz VFFVGMFWDFYSGV-BJMVGYQFSA-N 0 0 333.347 4.365 50 0 EIAARN COc1ccc(OC)c(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000006945838 564101996 /nfs/dbraw/zinc/10/19/96/564101996.db2.gz IMJBVDWBUIEPSP-UHFFFAOYSA-N 0 0 338.407 4.147 50 0 biogenic EIAARN CCOc1ccc(Oc2ccc(NC(=O)c3cc(C)on3)cc2)cc1 ZINC000006948856 564102084 /nfs/dbraw/zinc/10/20/84/564102084.db2.gz KAGFWBGTEFURPO-UHFFFAOYSA-N 0 0 338.363 4.426 50 0 EIAARN CCn1cc(-c2ccc(OC)cc2)cc1C(=O)N[C@H](C)c1cccnc1 ZINC000065170443 564102150 /nfs/dbraw/zinc/10/21/50/564102150.db2.gz QRKJHDDDPRGVNY-OAHLLOKOSA-N 0 0 349.434 4.070 50 0 EIAARN CCn1cc(-c2ccc(OC)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000065170437 564102172 /nfs/dbraw/zinc/10/21/72/564102172.db2.gz ZLTNFUGCEVGYOR-UHFFFAOYSA-N 0 0 326.440 4.056 50 0 EIAARN CCc1ccc(C(=O)NCc2cccnc2-c2ccc(OC)cc2)cc1 ZINC000065171164 564102181 /nfs/dbraw/zinc/10/21/81/564102181.db2.gz AMFNPLVXFDQQST-UHFFFAOYSA-N 0 0 346.430 4.250 50 0 biogenic EIAARN Cc1nc(NCc2ccco2)sc1C(=O)Nc1ccc(C)c(F)c1 ZINC000065184698 564102499 /nfs/dbraw/zinc/10/24/99/564102499.db2.gz KQFMKKPJYNUSLN-UHFFFAOYSA-N 0 0 345.399 4.356 50 0 EIAARN Clc1ccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)cc1 ZINC000065185341 564102502 /nfs/dbraw/zinc/10/25/02/564102502.db2.gz VIJIDBGTHHCOJU-UHFFFAOYSA-N 0 0 338.754 4.031 50 0 EIAARN CC[C@H](C)NC(=O)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1 ZINC000065178199 564102541 /nfs/dbraw/zinc/10/25/41/564102541.db2.gz YEFSXIPNMLTBPB-INIZCTEOSA-N 0 0 337.467 4.267 50 0 EIAARN COc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)cn3c2)cc1 ZINC000065229870 564103132 /nfs/dbraw/zinc/10/31/32/564103132.db2.gz RRSYUOMVGGHWMI-UHFFFAOYSA-N 0 0 343.386 4.262 50 0 EIAARN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 ZINC000007007831 564103160 /nfs/dbraw/zinc/10/31/60/564103160.db2.gz RCRSAWAGBHILBB-ZDUSSCGKSA-N 0 0 331.437 4.132 50 0 EIAARN Cc1nc(-c2cn(C)c3ncccc23)sc1C(=O)Nc1ccccc1 ZINC000065240868 564103320 /nfs/dbraw/zinc/10/33/20/564103320.db2.gz WKARDQVFHFMQSG-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN Cc1ccc(NC(=O)c2cc(C)n3nc(-c4ccsc4)cc3n2)cc1 ZINC000065246143 564103360 /nfs/dbraw/zinc/10/33/60/564103360.db2.gz RQGQLVIWSTZZEE-UHFFFAOYSA-N 0 0 348.431 4.327 50 0 EIAARN O=C(c1ccco1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21 ZINC000065254892 564103481 /nfs/dbraw/zinc/10/34/81/564103481.db2.gz RNKIUMWZKYCZOD-UHFFFAOYSA-N 0 0 336.416 4.483 50 0 EIAARN Cc1c2ccccc2oc1C(=O)OCc1nc(-c2cccs2)no1 ZINC000007047484 564103624 /nfs/dbraw/zinc/10/36/24/564103624.db2.gz AIWJXXPZLGQETO-UHFFFAOYSA-N 0 0 340.360 4.210 50 0 EIAARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccc(Cl)cc2)C1 ZINC000013138381 564103657 /nfs/dbraw/zinc/10/36/57/564103657.db2.gz AFIIKXHKEKRZHL-AWEZNQCLSA-N 0 0 332.831 4.123 50 0 EIAARN Cc1ccc(N2C(=N)S[C@H](Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000036635941 564104019 /nfs/dbraw/zinc/10/40/19/564104019.db2.gz NXAMGLMRYGHIKV-OAHLLOKOSA-N 0 0 330.840 4.274 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1C ZINC000007070196 564104189 /nfs/dbraw/zinc/10/41/89/564104189.db2.gz XWAJCYKKOAUQEH-UHFFFAOYSA-N 0 0 342.826 4.336 50 0 EIAARN Cc1ccccc1[C@@H](O)CSc1nnc2sc3ccccc3n12 ZINC000170003025 564104756 /nfs/dbraw/zinc/10/47/56/564104756.db2.gz FBJQMBXFPHKFKC-AWEZNQCLSA-N 0 0 341.461 4.078 50 0 EIAARN Cc1oc(C2CCC2)nc1C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000065293577 564104792 /nfs/dbraw/zinc/10/47/92/564104792.db2.gz QWYITVJXBLPXFN-INIZCTEOSA-N 0 0 325.412 4.013 50 0 EIAARN O=C1C[C@@H](c2cccc(F)c2)c2cnn(-c3cccc(Cl)c3)c2N1 ZINC000065331238 564105329 /nfs/dbraw/zinc/10/53/29/564105329.db2.gz MPZJGCBZNSWYMO-HNNXBMFYSA-N 0 0 341.773 4.139 50 0 EIAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000065331115 564105344 /nfs/dbraw/zinc/10/53/44/564105344.db2.gz QRARGVLRTDJYAG-GOSISDBHSA-N 0 0 347.418 4.135 50 0 EIAARN COc1ccc2ccc(O[C@@H](C(=O)N(C)C)c3ccccc3)cc2c1 ZINC000007182593 564105610 /nfs/dbraw/zinc/10/56/10/564105610.db2.gz NGBAXHSOVQRCNF-HXUWFJFHSA-N 0 0 335.403 4.057 50 0 EIAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 ZINC000007195180 564105689 /nfs/dbraw/zinc/10/56/89/564105689.db2.gz YSSPZXBFJGELGE-LLVKDONJSA-N 0 0 344.392 4.010 50 0 EIAARN Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1 ZINC000007192538 564105690 /nfs/dbraw/zinc/10/56/90/564105690.db2.gz WQXQLYOVLVAVFA-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN CC[C@H](C)c1ccc(N[C@@H](C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000007241164 564105917 /nfs/dbraw/zinc/10/59/17/564105917.db2.gz OOVWRPYRUDHUNE-HOTGVXAUSA-N 0 0 340.467 4.326 50 0 EIAARN CCSc1nnc(NC(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000007264377 564106100 /nfs/dbraw/zinc/10/61/00/564106100.db2.gz BCUQJQOPYITYNC-UHFFFAOYSA-N 0 0 348.280 4.138 50 0 EIAARN COc1c(CN[C@@H]2CCSc3ccc(F)cc32)c(C(C)C)nn1C ZINC000065474786 564106224 /nfs/dbraw/zinc/10/62/24/564106224.db2.gz MXDMDLQRUCTVDK-OAHLLOKOSA-N 0 0 349.475 4.018 50 0 EIAARN NC(=O)c1ccc(Nc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000007271570 564106274 /nfs/dbraw/zinc/10/62/74/564106274.db2.gz SOHVYQZRFIXEOK-UHFFFAOYSA-N 0 0 346.415 4.201 50 0 EIAARN CSc1ncc(C(=O)Nc2cccc3[nH]ccc32)n1-c1ccccc1 ZINC000065492123 564106468 /nfs/dbraw/zinc/10/64/68/564106468.db2.gz IZWHUYJHOPJDDQ-UHFFFAOYSA-N 0 0 348.431 4.328 50 0 EIAARN COC[C@@H](C)c1nc(-c2ccc(CC[C@H](C)NC(C)=O)cc2)cs1 ZINC000065495890 564106539 /nfs/dbraw/zinc/10/65/39/564106539.db2.gz GTCWJPYXSCSJJM-KGLIPLIRSA-N 0 0 346.496 4.017 50 0 EIAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000065516046 564106727 /nfs/dbraw/zinc/10/67/27/564106727.db2.gz AVLKEEKKDXKCCZ-LBPRGKRZSA-N 0 0 340.320 4.097 50 0 EIAARN CC(C)CN(C)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000065517052 564106821 /nfs/dbraw/zinc/10/68/21/564106821.db2.gz KJKHTIRHRRTCKW-UHFFFAOYSA-N 0 0 333.435 4.267 50 0 EIAARN CN(C(=O)Nc1ccccc1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000065523399 564106878 /nfs/dbraw/zinc/10/68/78/564106878.db2.gz GACLUALTNWNJQF-IBGZPJMESA-N 0 0 335.382 4.474 50 0 EIAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cnc(-c3ccccc3)nc2)o1 ZINC000065533876 564107174 /nfs/dbraw/zinc/10/71/74/564107174.db2.gz KRWGGACGYUIXMT-KSSFIOAISA-N 0 0 347.418 4.132 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1C(C)C ZINC000007361131 564107470 /nfs/dbraw/zinc/10/74/70/564107470.db2.gz UNKYNLRFKYFWMS-UHFFFAOYSA-N 0 0 333.453 4.236 50 0 EIAARN Cc1cc(C(=O)COC(=O)C2(c3ccccc3)CC2)c(C)n1C(C)C ZINC000007397327 564107785 /nfs/dbraw/zinc/10/77/85/564107785.db2.gz YRIACBAWPCNLDQ-UHFFFAOYSA-N 0 0 339.435 4.144 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(C)c1 ZINC000007405322 564107955 /nfs/dbraw/zinc/10/79/55/564107955.db2.gz KXWLQPQRGWZPLX-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN O=S(=O)(Nc1c(F)cccc1F)c1cccc(Cl)c1Cl ZINC000007405362 564107958 /nfs/dbraw/zinc/10/79/58/564107958.db2.gz WQGHBTCSLVOUKD-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN COc1ccccc1[C@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2s1 ZINC000065593192 564108029 /nfs/dbraw/zinc/10/80/29/564108029.db2.gz VYOBOOWCSCHZDG-ZIAGYGMSSA-N 0 0 338.432 4.071 50 0 EIAARN Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)cn1 ZINC000065594193 564108042 /nfs/dbraw/zinc/10/80/42/564108042.db2.gz QLBGXEKWMBHQQD-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN CC(C)n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C(F)(F)F ZINC000065604546 564108123 /nfs/dbraw/zinc/10/81/23/564108123.db2.gz RYCVIESOHFLJCZ-UHFFFAOYSA-N 0 0 348.328 4.283 50 0 EIAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc2ncccc21 ZINC000065620828 564108425 /nfs/dbraw/zinc/10/84/25/564108425.db2.gz CFRJSYGJALDBPD-UHFFFAOYSA-N 0 0 331.350 4.483 50 0 EIAARN CCOc1cccc([C@H](C)Nc2cccc(N3CCCNC3=O)c2)c1 ZINC000170592797 564108911 /nfs/dbraw/zinc/10/89/11/564108911.db2.gz WLDBDZMBENLGMQ-HNNXBMFYSA-N 0 0 339.439 4.178 50 0 EIAARN Cc1nc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2s1 ZINC000007505261 564109402 /nfs/dbraw/zinc/10/94/02/564109402.db2.gz XQPGGAMWXAPNEY-UHFFFAOYSA-N 0 0 332.450 4.022 50 0 EIAARN C[C@@H](OCc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000170604749 564109527 /nfs/dbraw/zinc/10/95/27/564109527.db2.gz PCHMLULVPWRESZ-ZIAGYGMSSA-N 0 0 329.827 4.223 50 0 EIAARN CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc3sncc3c2)C1 ZINC000170609541 564109685 /nfs/dbraw/zinc/10/96/85/564109685.db2.gz ZSSCLGOPEOEKRM-JSGCOSHPSA-N 0 0 335.498 4.482 50 0 EIAARN Cn1cncc1CCC(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000170610629 564109733 /nfs/dbraw/zinc/10/97/33/564109733.db2.gz PCNWJOIYVMVVNE-HXUWFJFHSA-N 0 0 339.483 4.181 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(F)cc1Cl ZINC000042090623 564110711 /nfs/dbraw/zinc/11/07/11/564110711.db2.gz HNKKJSFNHNAWMZ-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN O=C(NCc1cccc(Br)c1)c1cc(Cl)ccc1F ZINC000042353595 564110979 /nfs/dbraw/zinc/11/09/79/564110979.db2.gz PMUPMZSYIUKUBV-UHFFFAOYSA-N 0 0 342.595 4.172 50 0 EIAARN C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000013320546 564111514 /nfs/dbraw/zinc/11/15/14/564111514.db2.gz RFTZTFATXLMKOF-QPUJVOFHSA-N 0 0 336.741 4.048 50 0 EIAARN Cc1noc(C)c1[C@H](C)CNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000151562992 564111653 /nfs/dbraw/zinc/11/16/53/564111653.db2.gz FFJZKSJDKHHJML-CJNGLKHVSA-N 0 0 345.443 4.315 50 0 EIAARN COc1cc(SC)ccc1NC(=O)c1c(F)cc(F)cc1F ZINC000192972329 564111665 /nfs/dbraw/zinc/11/16/65/564111665.db2.gz UONCODOUKDTXLH-UHFFFAOYSA-N 0 0 327.327 4.087 50 0 EIAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccccc1 ZINC000013694984 564111879 /nfs/dbraw/zinc/11/18/79/564111879.db2.gz ZDFXYNCHWMILPO-UHFFFAOYSA-N 0 0 348.427 4.203 50 0 EIAARN Cn1ccc(C(=O)Nc2sccc2-c2nc3ccccc3s2)n1 ZINC000013667635 564111881 /nfs/dbraw/zinc/11/18/81/564111881.db2.gz SIGSAFYSDOPIST-UHFFFAOYSA-N 0 0 340.433 4.011 50 0 EIAARN C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)s1 ZINC000013745066 564111973 /nfs/dbraw/zinc/11/19/73/564111973.db2.gz HJULTMIQQUKODZ-VIFPVBQESA-N 0 0 338.816 4.055 50 0 EIAARN COC(=O)c1ccc(NC(=O)NC2CCC(C(C)(C)C)CC2)cc1 ZINC000013746222 564112020 /nfs/dbraw/zinc/11/20/20/564112020.db2.gz SHBDSHAEMILNJJ-UHFFFAOYSA-N 0 0 332.444 4.200 50 0 EIAARN CCc1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 ZINC000014251624 564112365 /nfs/dbraw/zinc/11/23/65/564112365.db2.gz HAHYZXOOKOCSQG-HXUWFJFHSA-N 0 0 334.419 4.152 50 0 EIAARN O=C(NCc1cccc(Cl)c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000014262103 564112407 /nfs/dbraw/zinc/11/24/07/564112407.db2.gz ZBLWOGZDXJUCFZ-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@@H](C)C3CC3)cc2)o1 ZINC000014310342 564112415 /nfs/dbraw/zinc/11/24/15/564112415.db2.gz MJNLUFAYEQDRCS-AWEZNQCLSA-N 0 0 347.418 4.240 50 0 EIAARN COc1cc(OC)c(C(=O)Oc2cccc(C(C)C)c2)cc1OC ZINC000014601489 564112533 /nfs/dbraw/zinc/11/25/33/564112533.db2.gz LJWNKMAYFDQNMS-UHFFFAOYSA-N 0 0 330.380 4.055 50 0 EIAARN Cc1ccc(CC(=O)Nc2cccc(-n3cc[nH]c3=S)c2)s1 ZINC000089656510 564112902 /nfs/dbraw/zinc/11/29/02/564112902.db2.gz AOCJEYPGDWYVES-UHFFFAOYSA-N 0 0 329.450 4.086 50 0 EIAARN O=C(CCCc1nc(C2CC2)no1)N1CCCCC[C@H]1c1ccco1 ZINC000089794492 564113889 /nfs/dbraw/zinc/11/38/89/564113889.db2.gz ONURZLQCHIPAEQ-HNNXBMFYSA-N 0 0 343.427 4.007 50 0 EIAARN O=C(Cc1csc(Nc2ccc(F)cc2)n1)NC1CCCCC1 ZINC000016850216 564113902 /nfs/dbraw/zinc/11/39/02/564113902.db2.gz HETOMPSJIALISP-UHFFFAOYSA-N 0 0 333.432 4.017 50 0 EIAARN CC(=O)Nc1ccc(C)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000016856888 564113909 /nfs/dbraw/zinc/11/39/09/564113909.db2.gz DMMHXJBGBMRGBU-UHFFFAOYSA-N 0 0 336.435 4.404 50 0 EIAARN CC(C)[C@H](c1cccnc1)N(C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000089801846 564113930 /nfs/dbraw/zinc/11/39/30/564113930.db2.gz NVAGDOCLZVOJBK-GOSISDBHSA-N 0 0 340.402 4.100 50 0 EIAARN O=C1CCCCN1Cc1cccc(NCc2cccc3cccnc32)c1 ZINC000089808013 564113945 /nfs/dbraw/zinc/11/39/45/564113945.db2.gz VMIBGCFECJWRCM-UHFFFAOYSA-N 0 0 345.446 4.359 50 0 EIAARN O=C(N[C@@H](c1ccccc1)c1ccncc1)N[C@H]1CCCc2occc21 ZINC000089827674 564114074 /nfs/dbraw/zinc/11/40/74/564114074.db2.gz BMNAFHZMYQFYJH-ICSRJNTNSA-N 0 0 347.418 4.141 50 0 EIAARN CCN(C(=O)NCc1ccc(OC(C)C)cc1)[C@H](C)c1cccnc1 ZINC000076016532 564114272 /nfs/dbraw/zinc/11/42/72/564114272.db2.gz BUEQERKXBOERGC-MRXNPFEDSA-N 0 0 341.455 4.162 50 0 EIAARN CC(C)c1noc(CCC(=O)N(CC(C)(C)C)c2ccc(F)cc2)n1 ZINC000089893628 564114838 /nfs/dbraw/zinc/11/48/38/564114838.db2.gz AFHFRYNXNRUQFI-UHFFFAOYSA-N 0 0 347.434 4.344 50 0 EIAARN C[C@@H](c1cccs1)N(C)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000089910142 564115286 /nfs/dbraw/zinc/11/52/86/564115286.db2.gz XNPOEYJMVYDXPL-UONOGXRCSA-N 0 0 346.452 4.141 50 0 EIAARN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cnc2c(cnn2C2CCCC2)c1 ZINC000089927640 564115299 /nfs/dbraw/zinc/11/52/99/564115299.db2.gz MDTJVGKIUXFCTD-KBXCAEBGSA-N 0 0 340.471 4.197 50 0 EIAARN CCO[C@@H](CCNC(=O)CSc1ccc2ccccc2c1)C(C)C ZINC000076092846 564115667 /nfs/dbraw/zinc/11/56/67/564115667.db2.gz PQGDQSPYDUGIGO-IBGZPJMESA-N 0 0 345.508 4.499 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCOCC1 ZINC000016985245 564115983 /nfs/dbraw/zinc/11/59/83/564115983.db2.gz AXWBGRWWMLZCET-UHFFFAOYSA-N 0 0 345.826 4.036 50 0 EIAARN FC(F)(F)c1cccc([C@H](NCc2cncs2)c2cccnc2)c1 ZINC000090202911 564116455 /nfs/dbraw/zinc/11/64/55/564116455.db2.gz LCLCLEBJZAHWIG-INIZCTEOSA-N 0 0 349.381 4.436 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2cccc(F)c2)cc1C ZINC000017120466 564116499 /nfs/dbraw/zinc/11/64/99/564116499.db2.gz IFETUFYHIMIRPR-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN Cc1c2ccccc2oc1[C@H](NCc1nnc2n1CCCC2)C(C)C ZINC000271707525 564116501 /nfs/dbraw/zinc/11/65/01/564116501.db2.gz NUVDNKLCFCKNCS-LJQANCHMSA-N 0 0 338.455 4.156 50 0 EIAARN O=C(OCc1c(Cl)nc(Cl)n1-c1ccccc1)C1CC=CC1 ZINC000170636515 564117334 /nfs/dbraw/zinc/11/73/34/564117334.db2.gz OBULMPINAJLVMF-UHFFFAOYSA-N 0 0 337.206 4.189 50 0 EIAARN CN(C)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000170637475 564117399 /nfs/dbraw/zinc/11/73/99/564117399.db2.gz LVAAWWYKLOMOOV-DLBZAZTESA-N 0 0 329.831 4.084 50 0 EIAARN Cc1ccc(O[C@@H](C)c2nc(-c3ccc4c(c3)OCO4)no2)cc1C ZINC000006703732 564117460 /nfs/dbraw/zinc/11/74/60/564117460.db2.gz GAQQVTCZYRSGGO-ZDUSSCGKSA-N 0 0 338.363 4.222 50 0 EIAARN Cc1ccc(O[C@H](C)c2nc(-c3ccc4c(c3)OCO4)no2)cc1C ZINC000006703733 564117474 /nfs/dbraw/zinc/11/74/74/564117474.db2.gz GAQQVTCZYRSGGO-CYBMUJFWSA-N 0 0 338.363 4.222 50 0 EIAARN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc(C)c1 ZINC000007720170 564117574 /nfs/dbraw/zinc/11/75/74/564117574.db2.gz UOTNMYIMXAWUNH-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN O=C(Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)nc1 ZINC000363963669 564117811 /nfs/dbraw/zinc/11/78/11/564117811.db2.gz SMIZJHKJERFRGW-UHFFFAOYSA-N 0 0 333.269 4.008 50 0 EIAARN CC[C@@]1(C)C[C@@](CCN2C(=O)c3ccccc3C2=O)(C(C)C)CCO1 ZINC000002109999 564117997 /nfs/dbraw/zinc/11/79/97/564117997.db2.gz BEJITXVNDNZAGW-SFTDATJTSA-N 0 0 343.467 4.294 50 0 biogenic EIAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccccc2C)CO1 ZINC000002113551 564118045 /nfs/dbraw/zinc/11/80/45/564118045.db2.gz ZPNJDYICWNVUQD-UHFFFAOYSA-N 0 0 335.403 4.410 50 0 biogenic EIAARN Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 ZINC000002125313 564118436 /nfs/dbraw/zinc/11/84/36/564118436.db2.gz MXMUCBOWNHPSIX-UHFFFAOYSA-N 0 0 338.864 4.003 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H]2c2cccs2)c1C ZINC000252444301 564118454 /nfs/dbraw/zinc/11/84/54/564118454.db2.gz XIIZHANUUHWHCE-ZFWWWQNUSA-N 0 0 344.480 4.304 50 0 EIAARN Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1cccc(F)c1)C3 ZINC000002125708 564118482 /nfs/dbraw/zinc/11/84/82/564118482.db2.gz AHCLKZDMLHDNHS-UHFFFAOYSA-N 0 0 339.366 4.214 50 0 biogenic EIAARN CCCCc1cc2c(cc1OC=O)occ(-c1csc(C)n1)c2=O ZINC000002129445 564118609 /nfs/dbraw/zinc/11/86/09/564118609.db2.gz WHIMUSDZYIDZJW-UHFFFAOYSA-N 0 0 343.404 4.103 50 0 biogenic EIAARN CC(C)C(=O)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl ZINC000000285122 564118837 /nfs/dbraw/zinc/11/88/37/564118837.db2.gz WTYDTIXXMYGORN-LLVKDONJSA-N 0 0 326.676 4.247 50 0 EIAARN COc1cccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c1O ZINC000170642088 564118954 /nfs/dbraw/zinc/11/89/54/564118954.db2.gz RHYLZNMFRSRZNO-QGZVFWFLSA-N 0 0 325.408 4.158 50 0 EIAARN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc[nH]c3C3CC3)cc2)n1 ZINC000252480281 564119166 /nfs/dbraw/zinc/11/91/66/564119166.db2.gz BZHHRIQDLCQTAZ-OAHLLOKOSA-N 0 0 348.450 4.186 50 0 EIAARN Cc1ccc(CN(C)C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)nc1 ZINC000252500206 564119773 /nfs/dbraw/zinc/11/97/73/564119773.db2.gz SPBSOOAFNYWHPT-HXUWFJFHSA-N 0 0 337.467 4.342 50 0 EIAARN Cc1ccc([C@@H]2CN(Cc3cc(-c4ccco4)on3)CCO2)c(C)c1 ZINC000170645414 564120189 /nfs/dbraw/zinc/12/01/89/564120189.db2.gz CZQFIWADVVRWGX-FQEVSTJZSA-N 0 0 338.407 4.125 50 0 EIAARN CCO[C@@H](CNC(=O)c1scnc1C1CCCC1)c1ccccc1 ZINC000194196656 564120412 /nfs/dbraw/zinc/12/04/12/564120412.db2.gz QHIFQSUJNGLXGT-INIZCTEOSA-N 0 0 344.480 4.308 50 0 EIAARN O=C(NC[C@H]1Cc2ccccc21)c1ccccc1C(=O)c1cccs1 ZINC000170651152 564120421 /nfs/dbraw/zinc/12/04/21/564120421.db2.gz HEYMXLFDQQDHRU-OAHLLOKOSA-N 0 0 347.439 4.049 50 0 EIAARN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1scnc1-c1ccccc1 ZINC000252523251 564120460 /nfs/dbraw/zinc/12/04/60/564120460.db2.gz CEKQRIMBSBQBJH-YVEFUNNKSA-N 0 0 336.416 4.313 50 0 EIAARN Cc1noc(-c2ccccc2)c1NC(=O)N1CCOc2ccccc2C1 ZINC000252539636 564120624 /nfs/dbraw/zinc/12/06/24/564120624.db2.gz OFKXEUXDQUKHKM-UHFFFAOYSA-N 0 0 349.390 4.077 50 0 EIAARN CCC1CCC(c2noc(C3CCN(C(=O)C(C)C)CC3)n2)CC1 ZINC000252551091 564120761 /nfs/dbraw/zinc/12/07/61/564120761.db2.gz TZPWEFSDMJDOFC-UHFFFAOYSA-N 0 0 333.476 4.115 50 0 EIAARN COc1ccc(CN([C@H](C)C(=O)c2c[nH]c3ccccc23)C2CC2)cc1 ZINC000007662269 564121729 /nfs/dbraw/zinc/12/17/29/564121729.db2.gz AHRACTHGAOYJCC-OAHLLOKOSA-N 0 0 348.446 4.412 50 0 EIAARN CCN(CC)C(=O)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000007676177 564121794 /nfs/dbraw/zinc/12/17/94/564121794.db2.gz CVWHEKAGFRXLMB-QGZVFWFLSA-N 0 0 339.464 4.265 50 0 EIAARN COc1ccc2c(CC(=O)Nc3cccc4ncccc43)coc2c1 ZINC000007757857 564122683 /nfs/dbraw/zinc/12/26/83/564122683.db2.gz HFNQPSNKFFSTIP-UHFFFAOYSA-N 0 0 332.359 4.171 50 0 EIAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)c1 ZINC000007757706 564122744 /nfs/dbraw/zinc/12/27/44/564122744.db2.gz LDFGXMGUHOJFKL-LBPRGKRZSA-N 0 0 344.436 4.122 50 0 EIAARN CC(=O)c1sc(NC(=O)Cc2cccs2)nc1-c1ccccc1 ZINC000007799965 564123468 /nfs/dbraw/zinc/12/34/68/564123468.db2.gz ARSYVIBOXRBIMF-UHFFFAOYSA-N 0 0 342.445 4.255 50 0 EIAARN COc1ccccc1-n1cnc2cc(NCc3ccncc3)ccc21 ZINC000002223889 564124064 /nfs/dbraw/zinc/12/40/64/564124064.db2.gz WECPRTPRLFRUFR-UHFFFAOYSA-N 0 0 330.391 4.041 50 0 EIAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(Cl)s1 ZINC000008281758 564124088 /nfs/dbraw/zinc/12/40/88/564124088.db2.gz MZJSMGQGGUAZKN-UHFFFAOYSA-N 0 0 336.825 4.427 50 0 EIAARN CSc1cccc(C)c1NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000374375623 564124258 /nfs/dbraw/zinc/12/42/58/564124258.db2.gz SLNOCUMFHNDKLX-HNNXBMFYSA-N 0 0 334.485 4.188 50 0 EIAARN Cc1ccccc1OCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000007890020 564124435 /nfs/dbraw/zinc/12/44/35/564124435.db2.gz KOWIAUUDGQBQLI-FQEVSTJZSA-N 0 0 337.444 4.341 50 0 EIAARN Cc1ccccc1N=c1oc2c(Cl)cc(Cl)cc2cc1C(N)=O ZINC000252669180 564124768 /nfs/dbraw/zinc/12/47/68/564124768.db2.gz GSWFQFWEMNSCDA-UHFFFAOYSA-N 0 0 347.201 4.379 50 0 EIAARN CC1CCC2(CC1)SCC(=O)N2c1ccc(Br)cc1 ZINC000000205352 564124939 /nfs/dbraw/zinc/12/49/39/564124939.db2.gz NCQUIAHNAXPVSK-UHFFFAOYSA-N 0 0 340.286 4.435 50 0 EIAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(F)c(F)c1 ZINC000007903217 564125005 /nfs/dbraw/zinc/12/50/05/564125005.db2.gz OWAOKXVUAJZFIL-SECBINFHSA-N 0 0 349.406 4.132 50 0 EIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccsc1 ZINC000007926847 564125560 /nfs/dbraw/zinc/12/55/60/564125560.db2.gz XEZUWOQXOBEEMH-UHFFFAOYSA-N 0 0 329.252 4.125 50 0 EIAARN CCn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)C(C)C ZINC000002237978 564125192 /nfs/dbraw/zinc/12/51/92/564125192.db2.gz WXKMKAHQDGNIIE-UHFFFAOYSA-N 0 0 334.419 4.283 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@]43C)[C@H]1CC[C@]21CCC(=O)O1 ZINC000043722101 564128517 /nfs/dbraw/zinc/12/85/17/564128517.db2.gz UJVLDDZCTMKXJK-RLFCDOPRSA-N 0 0 340.463 4.370 50 0 EIAARN Cc1noc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]1C2 ZINC000043735991 564129228 /nfs/dbraw/zinc/12/92/28/564129228.db2.gz CWEKHXSSQMBRHH-WSYNCDOCSA-N 0 0 327.468 4.320 50 0 EIAARN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000145061173 564129552 /nfs/dbraw/zinc/12/95/52/564129552.db2.gz BSHQFYQSIAHNPQ-QGZVFWFLSA-N 0 0 328.799 4.211 50 0 EIAARN CC(C)c1ccoc1C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000253416605 564130776 /nfs/dbraw/zinc/13/07/76/564130776.db2.gz QVCOWQTWPGPDSE-UHFFFAOYSA-N 0 0 349.452 4.228 50 0 EIAARN CSc1cccc(NC(=O)N2CCC[C@H]2c2cccn2C)c1C ZINC000253417800 564130842 /nfs/dbraw/zinc/13/08/42/564130842.db2.gz DVUOHJQLMHKFII-INIZCTEOSA-N 0 0 329.469 4.424 50 0 EIAARN Fc1ccc(CN2CCC(n3ccnc3)CC2)c(Cl)c1Cl ZINC000253430738 564131353 /nfs/dbraw/zinc/13/13/53/564131353.db2.gz FSSFFUKCCHVZJT-UHFFFAOYSA-N 0 0 328.218 4.166 50 0 EIAARN CCN(CCSc1ccccc1)C(=O)NCc1cnc(C)cc1C ZINC000584890484 564131535 /nfs/dbraw/zinc/13/15/35/564131535.db2.gz HDGAHNDWNNHUQK-UHFFFAOYSA-N 0 0 343.496 4.022 50 0 EIAARN C[C@H](c1cccs1)N(C)C(=O)NCCCSCc1ccco1 ZINC000584899006 564131690 /nfs/dbraw/zinc/13/16/90/564131690.db2.gz HRTROGNWNOLMOX-CYBMUJFWSA-N 0 0 338.498 4.367 50 0 EIAARN Cc1oc(C(C)C)cc1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000225492030 564135305 /nfs/dbraw/zinc/13/53/05/564135305.db2.gz DFWAWPUVDDXFLJ-UHFFFAOYSA-N 0 0 330.409 4.008 50 0 EIAARN Cc1noc2c1[C@@]1(C)CC[C@@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000012655508 564135422 /nfs/dbraw/zinc/13/54/22/564135422.db2.gz CWEKHXSSQMBRHH-NDJIEACQSA-N 0 0 327.468 4.320 50 0 biogenic EIAARN Cc1ccccc1OCCC(=O)N[C@H]1CCSc2ccccc21 ZINC000012695109 564135484 /nfs/dbraw/zinc/13/54/84/564135484.db2.gz ZEDMABGIGPMCFA-INIZCTEOSA-N 0 0 327.449 4.117 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 ZINC000012994689 564135793 /nfs/dbraw/zinc/13/57/93/564135793.db2.gz LADBOYSJUVPOTE-UHFFFAOYSA-N 0 0 342.826 4.336 50 0 EIAARN Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)c1 ZINC000013036280 564135902 /nfs/dbraw/zinc/13/59/02/564135902.db2.gz QNFOBAHMJAUJLQ-PZJWPPBQSA-N 0 0 343.386 4.030 50 0 EIAARN Cc1cc2nc(-c3ccc(=O)[nH]c3)n(Cc3ccccc3)c2cc1C ZINC000013125621 564136036 /nfs/dbraw/zinc/13/60/36/564136036.db2.gz QAPSEPMTVAHENZ-UHFFFAOYSA-N 0 0 329.403 4.057 50 0 EIAARN O=c1[nH]cccc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000013125616 564136042 /nfs/dbraw/zinc/13/60/42/564136042.db2.gz NKRPLAHEGSKBHS-UHFFFAOYSA-N 0 0 335.794 4.093 50 0 EIAARN CC1CCC(NC(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1 ZINC000013369548 564136315 /nfs/dbraw/zinc/13/63/15/564136315.db2.gz TVLSMBAXXQCPTN-UHFFFAOYSA-N 0 0 347.462 4.398 50 0 EIAARN O=C(Cn1nc(-c2ccccc2)c2ccccc21)NC1CCCCC1 ZINC000013369617 564136323 /nfs/dbraw/zinc/13/63/23/564136323.db2.gz UBDMTGZBXNPHHM-UHFFFAOYSA-N 0 0 333.435 4.152 50 0 EIAARN CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc3ccccc3c2)s1 ZINC000027926236 564137614 /nfs/dbraw/zinc/13/76/14/564137614.db2.gz NEVVSDGOWXVZIZ-UHFFFAOYSA-N 0 0 338.432 4.376 50 0 EIAARN C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000079103220 564137881 /nfs/dbraw/zinc/13/78/81/564137881.db2.gz UYBWHBHVIAGPAK-BZNIZROVSA-N 0 0 338.234 4.235 50 0 EIAARN CC(C)c1ccc(CN2C(=O)C[C@@](C)(c3ccsc3)C2=O)cc1 ZINC000079107688 564137936 /nfs/dbraw/zinc/13/79/36/564137936.db2.gz XOPYSNQXETWONR-IBGZPJMESA-N 0 0 327.449 4.088 50 0 EIAARN Cc1cc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c(C)o1 ZINC000390828007 564138520 /nfs/dbraw/zinc/13/85/20/564138520.db2.gz NHLNOVOFAHVRLO-UHFFFAOYSA-N 0 0 331.375 4.463 50 0 EIAARN CN(C(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(F)cc1 ZINC000390833846 564138883 /nfs/dbraw/zinc/13/88/83/564138883.db2.gz NWYLPWXGKBVWCA-UHFFFAOYSA-N 0 0 347.296 4.090 50 0 EIAARN CC(=O)N(C)c1ccc(C(=O)N(c2cc(C)ccc2C)C(C)C)cc1 ZINC000278720963 564138919 /nfs/dbraw/zinc/13/89/19/564138919.db2.gz MDUFQYSNOATBEG-UHFFFAOYSA-N 0 0 338.451 4.341 50 0 EIAARN COc1cc(NC(=O)Nc2ccccc2SC)cc(OC)c1OC ZINC000390834425 564138943 /nfs/dbraw/zinc/13/89/43/564138943.db2.gz YOXHQMYBVUIETN-UHFFFAOYSA-N 0 0 348.424 4.078 50 0 EIAARN CCCc1ccc(-c2ccc(NCc3nnc4n3CCOC4)cc2)cc1 ZINC000390835417 564139018 /nfs/dbraw/zinc/13/90/18/564139018.db2.gz NEGPVAMOSCRKQA-UHFFFAOYSA-N 0 0 348.450 4.040 50 0 EIAARN Cc1cnc([C@@H](NC(=O)NC2(c3ccccc3F)CC2)C2CC2)s1 ZINC000080445393 564140205 /nfs/dbraw/zinc/14/02/05/564140205.db2.gz DEORYTORXRXCDM-HNNXBMFYSA-N 0 0 345.443 4.030 50 0 EIAARN O=C(OC[C@@H]1CCCO1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000095469930 564141230 /nfs/dbraw/zinc/14/12/30/564141230.db2.gz XLJZSZSLQPGDPS-HNNXBMFYSA-N 0 0 342.357 4.239 50 0 EIAARN CC(C)n1ccc2c1cccc2NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000095472206 564141278 /nfs/dbraw/zinc/14/12/78/564141278.db2.gz TXBZWZVTECAPHW-GOSISDBHSA-N 0 0 347.418 4.036 50 0 EIAARN COc1cccc(CNC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000007961294 564141599 /nfs/dbraw/zinc/14/15/99/564141599.db2.gz YDUDFNHVYBALOW-UHFFFAOYSA-N 0 0 344.461 4.119 50 0 EIAARN Cc1ccc(CNC(=O)Nc2c(C)noc2-c2ccccc2)s1 ZINC000095942307 564142060 /nfs/dbraw/zinc/14/20/60/564142060.db2.gz SDUGYQXQPSBBHI-UHFFFAOYSA-N 0 0 327.409 4.342 50 0 EIAARN C[C@H]1CCN(C(=O)c2occc2Br)CC12CCCCC2 ZINC000095943434 564142090 /nfs/dbraw/zinc/14/20/90/564142090.db2.gz YNJIPVCCOGCCII-LBPRGKRZSA-N 0 0 340.261 4.475 50 0 EIAARN C[C@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H](C)c1ccncc1 ZINC000095948079 564142320 /nfs/dbraw/zinc/14/23/20/564142320.db2.gz JZUUPCJMZHROMU-HZPDHXFCSA-N 0 0 333.435 4.226 50 0 EIAARN Cc1cccc(CS(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC000095962206 564142767 /nfs/dbraw/zinc/14/27/67/564142767.db2.gz GWYIZSLHRNSDAF-UHFFFAOYSA-N 0 0 329.248 4.417 50 0 EIAARN CSC[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000095963041 564142816 /nfs/dbraw/zinc/14/28/16/564142816.db2.gz CUDUDHBFLGTHPH-QWRGUYRKSA-N 0 0 332.296 4.308 50 0 EIAARN C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)OCc1ccc(F)cc1Cl ZINC000095963509 564142857 /nfs/dbraw/zinc/14/28/57/564142857.db2.gz KTGXYVUOCKSJMA-KPZWWZAWSA-N 0 0 336.790 4.077 50 0 EIAARN C[C@H]1CN(C(=O)Nc2cccc3[nH]ccc32)C[C@H](c2ccsc2)O1 ZINC000095965905 564142933 /nfs/dbraw/zinc/14/29/33/564142933.db2.gz ZPLYABLGEGUCBY-YVEFUNNKSA-N 0 0 341.436 4.223 50 0 EIAARN CC[C@H](NCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000095968681 564143267 /nfs/dbraw/zinc/14/32/67/564143267.db2.gz CTTJZUJIIWYKNM-FQEVSTJZSA-N 0 0 347.462 4.107 50 0 EIAARN CCc1nc2c(s1)[C@H](OC(=O)CC1CCC(OC)CC1)CCC2 ZINC000095976220 564143575 /nfs/dbraw/zinc/14/35/75/564143575.db2.gz ZIJNKJKEJGECJE-SSDMNJCBSA-N 0 0 337.485 4.221 50 0 EIAARN Cc1cccc(O)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000095983422 564143776 /nfs/dbraw/zinc/14/37/76/564143776.db2.gz XCDITAOBOBUQFQ-UHFFFAOYSA-N 0 0 342.395 4.300 50 0 EIAARN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C(F)F)c1 ZINC000095984762 564143903 /nfs/dbraw/zinc/14/39/03/564143903.db2.gz ZHRNAWSGLIIWTR-AWEZNQCLSA-N 0 0 334.370 4.333 50 0 EIAARN Cc1nnc([C@@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000095987516 564143968 /nfs/dbraw/zinc/14/39/68/564143968.db2.gz UYVPWJHRQILOLQ-YMTOWFKASA-N 0 0 325.334 4.199 50 0 EIAARN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NCCOC(C)(C)C ZINC000095992783 564144162 /nfs/dbraw/zinc/14/41/62/564144162.db2.gz FSCKSJUCWQLJAG-HOTGVXAUSA-N 0 0 346.515 4.340 50 0 EIAARN O=C(NCC[C@@H](O)c1cc2ccccc2o1)c1ccc(Cl)s1 ZINC000096097215 564145178 /nfs/dbraw/zinc/14/51/78/564145178.db2.gz NKZVMTQRMMEXMD-LLVKDONJSA-N 0 0 335.812 4.001 50 0 EIAARN CC[C@H](C(=O)NCC[C@@H](O)c1cc2ccccc2o1)c1ccccc1 ZINC000096097219 564145193 /nfs/dbraw/zinc/14/51/93/564145193.db2.gz OLXIKQTVKQHBEZ-ZWKOTPCHSA-N 0 0 337.419 4.166 50 0 EIAARN Cc1[nH]c2ccc(C(=O)N3CCc4c([nH]c5ccccc54)C3)cc2c1C ZINC000096116426 564145461 /nfs/dbraw/zinc/14/54/61/564145461.db2.gz BGIKOEOBWNECNM-UHFFFAOYSA-N 0 0 343.430 4.465 50 0 biogenic EIAARN O=C(N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21)c1ccncc1 ZINC000096117344 564145475 /nfs/dbraw/zinc/14/54/75/564145475.db2.gz COJDJTOIOGKYRU-OAHLLOKOSA-N 0 0 325.799 4.024 50 0 EIAARN CC(C)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)[nH]n2)cc1 ZINC000096118741 564145497 /nfs/dbraw/zinc/14/54/97/564145497.db2.gz UIGFLHKJFJWRFL-UHFFFAOYSA-N 0 0 347.418 4.387 50 0 EIAARN CC(=O)c1ccc(NC(=O)c2cccc(Oc3ccccn3)c2)cc1 ZINC000096122677 564145651 /nfs/dbraw/zinc/14/56/51/564145651.db2.gz XVKKVJJEPVVBOM-UHFFFAOYSA-N 0 0 332.359 4.329 50 0 EIAARN CCC(CC)CN(CC)C(=O)/C=C\c1c(C)nc2sc(C)cn12 ZINC000096130026 564145738 /nfs/dbraw/zinc/14/57/38/564145738.db2.gz WATFUQPDQIZPBD-KTKRTIGZSA-N 0 0 333.501 4.311 50 0 EIAARN CCOC(=O)/C=C\c1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000096130078 564145744 /nfs/dbraw/zinc/14/57/44/564145744.db2.gz SOKQEOUJCPWSNJ-SZGZABIGSA-N 0 0 338.407 4.146 50 0 EIAARN COc1ccccc1Oc1ccc(C(=O)Nc2nc(C)c(C)s2)o1 ZINC000096182549 564145865 /nfs/dbraw/zinc/14/58/65/564145865.db2.gz ITQYKOOMSPFWOF-UHFFFAOYSA-N 0 0 344.392 4.406 50 0 EIAARN Cc1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000096223886 564146077 /nfs/dbraw/zinc/14/60/77/564146077.db2.gz BUJMLUYTYXITMR-UHFFFAOYSA-N 0 0 327.862 4.083 50 0 EIAARN CC(C)c1nccn1Cc1cccc(NC(=O)/C=C\c2cccnc2)c1 ZINC000096256169 564146163 /nfs/dbraw/zinc/14/61/63/564146163.db2.gz VUJUESCPSBKMDL-HJWRWDBZSA-N 0 0 346.434 4.102 50 0 EIAARN C[C@H](NC(=O)/C=C\c1cccs1)c1nc(-c2cccnc2)cs1 ZINC000096265965 564146225 /nfs/dbraw/zinc/14/62/25/564146225.db2.gz AGXYWEGSPNUFQI-DGMVEKRQSA-N 0 0 341.461 4.157 50 0 EIAARN CC(C)C[C@@H](CC(=O)N1CCOCC1)c1c[nH]c2ccc(Cl)cc21 ZINC000096276247 564146291 /nfs/dbraw/zinc/14/62/91/564146291.db2.gz KZMNKBYGEDHKKB-AWEZNQCLSA-N 0 0 348.874 4.200 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cc(Br)ccc2F)c1 ZINC000007968835 564146426 /nfs/dbraw/zinc/14/64/26/564146426.db2.gz GRJBWCWUWBOQAB-UHFFFAOYSA-N 0 0 336.160 4.043 50 0 EIAARN CC(C)CC(=O)N(CCc1nc(-c2cccc(Cl)c2)no1)C(C)C ZINC000096292873 564146460 /nfs/dbraw/zinc/14/64/60/564146460.db2.gz LAJGRMOEGQJBEN-UHFFFAOYSA-N 0 0 349.862 4.216 50 0 EIAARN CC[C@@H](C)N(CCc1nc(-c2cccc(C)c2)no1)C(=O)C1CCC1 ZINC000096293150 564146461 /nfs/dbraw/zinc/14/64/61/564146461.db2.gz HJHQMNIJXLUOPH-OAHLLOKOSA-N 0 0 341.455 4.015 50 0 EIAARN CC[C@H](C)[C@@H](NC(=O)C1CC1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096293610 564146492 /nfs/dbraw/zinc/14/64/92/564146492.db2.gz TUHBHUKWDRKCBT-ZUZCIYMTSA-N 0 0 347.846 4.312 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)C1CCC1)c1nc(-c2cccc(C)c2)no1 ZINC000096294234 564146532 /nfs/dbraw/zinc/14/65/32/564146532.db2.gz UWLQTNQTGCKBFH-CZUORRHYSA-N 0 0 327.428 4.049 50 0 EIAARN Cc1nn(-c2ccccc2)c2c1[C@H]1c3ccccc3OC[C@@]1(C)CO2 ZINC000096306227 564146658 /nfs/dbraw/zinc/14/66/58/564146658.db2.gz SYRZSOPNMJQENZ-CTNGQTDRSA-N 0 0 332.403 4.104 50 0 EIAARN CCCCC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000096320573 564146789 /nfs/dbraw/zinc/14/67/89/564146789.db2.gz NPABOZFGBCXCQL-UHFFFAOYSA-N 0 0 349.478 4.128 50 0 EIAARN NC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(Cl)cc1 ZINC000096346018 564146857 /nfs/dbraw/zinc/14/68/57/564146857.db2.gz GAEZLCDDVKWFDW-UHFFFAOYSA-N 0 0 330.796 4.245 50 0 EIAARN CC[C@H](C)[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000007969774 564146924 /nfs/dbraw/zinc/14/69/24/564146924.db2.gz PVDCDPAPMMLEOF-IFXJQAMLSA-N 0 0 327.424 4.472 50 0 EIAARN CO[C@](C)(CNC(=O)/C=C/c1ccsc1)c1cccc(Cl)c1 ZINC000096392700 564147033 /nfs/dbraw/zinc/14/70/33/564147033.db2.gz CCMIFVKDQVQWKG-DKRLNXSXSA-N 0 0 335.856 4.093 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000096405403 564147319 /nfs/dbraw/zinc/14/73/19/564147319.db2.gz DOMMBJTYHAWKDR-RBUKOAKNSA-N 0 0 346.430 4.194 50 0 EIAARN COC[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000096417985 564147872 /nfs/dbraw/zinc/14/78/72/564147872.db2.gz PXUXXBXXCNVGEV-AWEZNQCLSA-N 0 0 344.386 4.118 50 0 EIAARN C[C@H](Nc1ccc(N2CCOC2=O)cc1)c1ncc(-c2ccccc2)o1 ZINC000096437010 564148072 /nfs/dbraw/zinc/14/80/72/564148072.db2.gz PXBBCBPCVPPCEM-AWEZNQCLSA-N 0 0 349.390 4.471 50 0 EIAARN CCSc1ccc(Cl)cc1C(=O)Nc1cccc(C(N)=O)c1C ZINC000096460075 564148310 /nfs/dbraw/zinc/14/83/10/564148310.db2.gz VMFRVNTZIJBHRD-UHFFFAOYSA-N 0 0 348.855 4.112 50 0 EIAARN C[C@@H](Nc1cccc(Cn2cccn2)c1)c1nc(-c2ccccc2)no1 ZINC000096480879 564148617 /nfs/dbraw/zinc/14/86/17/564148617.db2.gz MJOBZWRYCAFZEI-OAHLLOKOSA-N 0 0 345.406 4.155 50 0 EIAARN Cc1ccc(NCc2cccc3c[nH]nc32)cc1NC(=O)C(C)(C)C ZINC000096482880 564148650 /nfs/dbraw/zinc/14/86/50/564148650.db2.gz NAXWKJUEMKVJMP-UHFFFAOYSA-N 0 0 336.439 4.468 50 0 EIAARN C[C@@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000096484919 564148692 /nfs/dbraw/zinc/14/86/92/564148692.db2.gz IPNDSAQBGIQIQT-WDEREUQCSA-N 0 0 347.352 4.084 50 0 EIAARN O=C(/C=C\c1nc2ccccc2o1)NCC1(c2ccccc2)CCC1 ZINC000096758981 564148955 /nfs/dbraw/zinc/14/89/55/564148955.db2.gz KCALZGKKOXJFPA-QXMHVHEDSA-N 0 0 332.403 4.079 50 0 EIAARN COc1cc([C@H](C)Nc2ccc3nc(C)oc3c2)cc(OC)c1OC ZINC000097038122 564149262 /nfs/dbraw/zinc/14/92/62/564149262.db2.gz NSHPGZUYININPY-NSHDSACASA-N 0 0 342.395 4.335 50 0 EIAARN Cc1ccn(-c2ccccc2N[C@@H](C)c2ccc([S@@](C)=O)cc2)n1 ZINC000097038709 564149277 /nfs/dbraw/zinc/14/92/77/564149277.db2.gz IYDINLAJXPDRFX-OWJWWREXSA-N 0 0 339.464 4.091 50 0 EIAARN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cccnc1 ZINC000097049567 564149313 /nfs/dbraw/zinc/14/93/13/564149313.db2.gz ZKALWAYNAXSKNJ-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc2cccnc21 ZINC000027977038 564149831 /nfs/dbraw/zinc/14/98/31/564149831.db2.gz MFLFTVUVRXOOFO-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)/C=C/c1ccccc1Cl ZINC000225598522 564149912 /nfs/dbraw/zinc/14/99/12/564149912.db2.gz HIHOUQMTDPQYNT-KGXGESDWSA-N 0 0 341.838 4.036 50 0 EIAARN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(F)cc1F ZINC000002506085 564150075 /nfs/dbraw/zinc/15/00/75/564150075.db2.gz IWCTXDIVHGPWDR-QPJJXVBHSA-N 0 0 338.151 4.379 50 0 EIAARN CO[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000225701821 564150335 /nfs/dbraw/zinc/15/03/35/564150335.db2.gz MQVAIBAVXOVHIY-SNVBAGLBSA-N 0 0 348.226 4.312 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C)c1 ZINC000028225053 564150739 /nfs/dbraw/zinc/15/07/39/564150739.db2.gz NUJOQQKTNRXDDY-UHFFFAOYSA-N 0 0 343.814 4.355 50 0 EIAARN Cc1ccnc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)c1 ZINC000028229637 564150779 /nfs/dbraw/zinc/15/07/79/564150779.db2.gz QYQDBZCQZIOZGG-UHFFFAOYSA-N 0 0 344.317 4.093 50 0 EIAARN Cc1ccccc1OCCSc1nnc(-c2ccccc2C)n1C ZINC000002616604 564151111 /nfs/dbraw/zinc/15/11/11/564151111.db2.gz KPUAJGVGHKTTRY-UHFFFAOYSA-N 0 0 339.464 4.270 50 0 EIAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 ZINC000002621195 564151215 /nfs/dbraw/zinc/15/12/15/564151215.db2.gz CCDJKYQNKJHFRE-UHFFFAOYSA-N 0 0 335.432 4.120 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1 ZINC000002626931 564151348 /nfs/dbraw/zinc/15/13/48/564151348.db2.gz OUPLOBCBSQIKQP-UHFFFAOYSA-N 0 0 334.219 4.372 50 0 EIAARN CN(Cc1ccc(Br)cc1)C(=O)c1cc2ccccc2[nH]1 ZINC000008029040 564151653 /nfs/dbraw/zinc/15/16/53/564151653.db2.gz LTSLICYOQAMXRV-UHFFFAOYSA-N 0 0 343.224 4.203 50 0 EIAARN CC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000002644842 564151767 /nfs/dbraw/zinc/15/17/67/564151767.db2.gz BKXDHOBRWBCNOO-UHFFFAOYSA-N 0 0 331.437 4.122 50 0 EIAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000002655318 564151963 /nfs/dbraw/zinc/15/19/63/564151963.db2.gz UQBKRZVBFJWHGZ-ORAYPTAESA-N 0 0 342.439 4.179 50 0 EIAARN CC(C)(C)c1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 ZINC000002658997 564152032 /nfs/dbraw/zinc/15/20/32/564152032.db2.gz QJZUPRFPCRSFOL-UHFFFAOYSA-N 0 0 336.391 4.296 50 0 EIAARN CSc1cccc(NC(=O)c2cc(Br)ccc2O)c1 ZINC000028817431 564152656 /nfs/dbraw/zinc/15/26/56/564152656.db2.gz GGYPZDXJMHLYGO-UHFFFAOYSA-N 0 0 338.226 4.129 50 0 EIAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(C1CCCC1)CO3 ZINC000057122045 564153273 /nfs/dbraw/zinc/15/32/73/564153273.db2.gz JUMRFNMDDWDZOJ-UHFFFAOYSA-N 0 0 327.424 4.148 50 0 EIAARN CCn1c(C)cc(C(=O)Cn2c3ccccc3nc2C(F)(F)F)c1C ZINC000029300625 564153275 /nfs/dbraw/zinc/15/32/75/564153275.db2.gz PXBYMFRHVHIIQN-UHFFFAOYSA-N 0 0 349.356 4.376 50 0 EIAARN COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000057383348 564153858 /nfs/dbraw/zinc/15/38/58/564153858.db2.gz DEKJTEPHLBHNQB-INIZCTEOSA-N 0 0 348.446 4.446 50 0 EIAARN CCN(CC)c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC000057405865 564153962 /nfs/dbraw/zinc/15/39/62/564153962.db2.gz HJTAHFBPLDDASA-UHFFFAOYSA-N 0 0 341.411 4.214 50 0 EIAARN O=C(NCCCc1ccccc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057413572 564154201 /nfs/dbraw/zinc/15/42/01/564154201.db2.gz ZFSJPWFWESAHID-UHFFFAOYSA-N 0 0 339.826 4.093 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1ccc(F)cc1 ZINC000057413727 564154227 /nfs/dbraw/zinc/15/42/27/564154227.db2.gz XSJDWHZVVIWMLI-NSHDSACASA-N 0 0 343.789 4.360 50 0 EIAARN O=C(CCSCc1cccc(F)c1)NCc1ccccc1Cl ZINC000003031646 564154555 /nfs/dbraw/zinc/15/45/55/564154555.db2.gz XVYOPYXCHAOYNT-UHFFFAOYSA-N 0 0 337.847 4.419 50 0 EIAARN C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057503943 564154558 /nfs/dbraw/zinc/15/45/58/564154558.db2.gz YCJRDYBPRZZQLJ-UGSOOPFHSA-N 0 0 328.843 4.011 50 0 EIAARN Cc1nc2ccc(C(=O)N([C@@H](C)c3ccccn3)C3CC3)cc2nc1C ZINC000057511119 564154632 /nfs/dbraw/zinc/15/46/32/564154632.db2.gz URDRMFHCKLYYMR-HNNXBMFYSA-N 0 0 346.434 4.007 50 0 EIAARN CCc1cccc(NC(=S)N(CCOC)[C@@H](C)c2ccco2)c1 ZINC000003050490 564154743 /nfs/dbraw/zinc/15/47/43/564154743.db2.gz AOKAWQZXCFGIEJ-AWEZNQCLSA-N 0 0 332.469 4.248 50 0 EIAARN CC[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057553900 564154924 /nfs/dbraw/zinc/15/49/24/564154924.db2.gz XCIZRECISWQTFH-RBUKOAKNSA-N 0 0 342.870 4.401 50 0 EIAARN CN(Cc1ccco1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057748242 564155620 /nfs/dbraw/zinc/15/56/20/564155620.db2.gz OWYPVJXHQCFLKV-LJQANCHMSA-N 0 0 338.382 4.231 50 0 EIAARN O=C(CSc1ccc2ccccc2c1)OCC(=O)c1cccs1 ZINC000003232088 564156337 /nfs/dbraw/zinc/15/63/37/564156337.db2.gz UVAXHVMGRPQTTN-UHFFFAOYSA-N 0 0 342.441 4.420 50 0 EIAARN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc2C1 ZINC000003283298 564156931 /nfs/dbraw/zinc/15/69/31/564156931.db2.gz CVSISZNCFRDVQO-LBPRGKRZSA-N 0 0 349.261 4.379 50 0 EIAARN Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccccc1 ZINC000003293630 564157121 /nfs/dbraw/zinc/15/71/21/564157121.db2.gz XLFIGCXFBVKEJE-UHFFFAOYSA-N 0 0 349.868 4.172 50 0 EIAARN O=C(CSc1nnc(NC2CCCCC2)s1)c1ccccc1 ZINC000003293736 564157125 /nfs/dbraw/zinc/15/71/25/564157125.db2.gz NCKFNXSZUPIIPP-UHFFFAOYSA-N 0 0 333.482 4.258 50 0 EIAARN COc1ccc(OC)c(CNCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000030669745 564157314 /nfs/dbraw/zinc/15/73/14/564157314.db2.gz ISWIOSGABNWABB-UHFFFAOYSA-N 0 0 341.382 4.393 50 0 EIAARN CCc1ccccc1N(C)C(=O)c1noc2c1CCc1sccc1-2 ZINC000015733200 564157693 /nfs/dbraw/zinc/15/76/93/564157693.db2.gz UECXZFVFBALJED-UHFFFAOYSA-N 0 0 338.432 4.341 50 0 EIAARN O=C(NCC1(c2ccccc2)CC1)c1csc(-c2ccsc2)n1 ZINC000030975987 564158272 /nfs/dbraw/zinc/15/82/72/564158272.db2.gz OYBWJUXBWVLEAJ-UHFFFAOYSA-N 0 0 340.473 4.333 50 0 EIAARN C[C@H]1CCCN(c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)C1 ZINC000058358079 564158885 /nfs/dbraw/zinc/15/88/85/564158885.db2.gz JZVDLPHZNJGSHH-AWEZNQCLSA-N 0 0 341.480 4.173 50 0 EIAARN O=C(Cc1csc(Cc2ccccc2)n1)NCCC1CCCCC1 ZINC000031118012 564158891 /nfs/dbraw/zinc/15/88/91/564158891.db2.gz CRCAIUWPWMZQQK-UHFFFAOYSA-N 0 0 342.508 4.363 50 0 EIAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccncc1 ZINC000031182596 564159098 /nfs/dbraw/zinc/15/90/98/564159098.db2.gz PAPCDSDTRMHJBB-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN Cc1nc2cc(NC(=O)c3csc(Cc4ccccc4)n3)ccc2o1 ZINC000031531370 564159536 /nfs/dbraw/zinc/15/95/36/564159536.db2.gz RMZBEVJTFKCMKO-UHFFFAOYSA-N 0 0 349.415 4.436 50 0 EIAARN COc1cc(C(C)=O)ccc1OCc1nc2ccccc2n1C(F)F ZINC000031701675 564159729 /nfs/dbraw/zinc/15/97/29/564159729.db2.gz GIDYMKAKKPUHOT-UHFFFAOYSA-N 0 0 346.333 4.222 50 0 EIAARN O=C1C[C@@H](c2c(F)cccc2F)c2ncn(-c3ccccc3)c2N1 ZINC000031820870 564159984 /nfs/dbraw/zinc/15/99/84/564159984.db2.gz IBSFVWYFTFUKJH-LBPRGKRZSA-N 0 0 325.318 4.274 50 0 EIAARN O=C1C[C@H](c2c(F)cccc2F)c2ncn(-c3ccccc3)c2N1 ZINC000031820874 564159988 /nfs/dbraw/zinc/15/99/88/564159988.db2.gz IBSFVWYFTFUKJH-GFCCVEGCSA-N 0 0 325.318 4.274 50 0 EIAARN Clc1cccc(-c2nn3c(nnc3-c3ccco3)s2)c1Cl ZINC000032104914 564160838 /nfs/dbraw/zinc/16/08/38/564160838.db2.gz MBKVOFBDMMTDIA-UHFFFAOYSA-N 0 0 337.191 4.420 50 0 EIAARN CCOc1ccccc1NCC(=O)Nc1cccc(Cl)c1Cl ZINC000007974913 564161538 /nfs/dbraw/zinc/16/15/38/564161538.db2.gz PTZPQHBHPMPYBB-UHFFFAOYSA-N 0 0 339.222 4.443 50 0 EIAARN COc1ccc(-c2nc(CC(=O)N(C)c3ccccc3)cs2)cc1 ZINC000032518169 564161608 /nfs/dbraw/zinc/16/16/08/564161608.db2.gz IWPRIDSKHNCQMN-UHFFFAOYSA-N 0 0 338.432 4.024 50 0 EIAARN Cc1nc(NC(=O)c2sc(-c3ccccc3)nc2C)sc1C ZINC000007996124 564162070 /nfs/dbraw/zinc/16/20/70/564162070.db2.gz VVSIQQMIUAUGBN-UHFFFAOYSA-N 0 0 329.450 4.444 50 0 EIAARN C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000008033965 564162299 /nfs/dbraw/zinc/16/22/99/564162299.db2.gz RAXOHPYTWJPTPZ-LBPRGKRZSA-N 0 0 333.790 4.319 50 0 EIAARN Cc1ccc(-c2csc3ncnc(NC[C@@H]4CCCO4)c23)cc1 ZINC000008079066 564162597 /nfs/dbraw/zinc/16/25/97/564162597.db2.gz XUIOXUXQZWYILE-AWEZNQCLSA-N 0 0 325.437 4.258 50 0 EIAARN O=C(Cc1nc(-c2ccc(Cl)s2)cs1)NCc1ccccc1 ZINC000008103038 564162691 /nfs/dbraw/zinc/16/26/91/564162691.db2.gz KSSHTTYEXGETCF-UHFFFAOYSA-N 0 0 348.880 4.384 50 0 EIAARN COC(=O)c1cc2ccccc2cc1Oc1ncnc2sccc21 ZINC000008119908 564162822 /nfs/dbraw/zinc/16/28/22/564162822.db2.gz CGBGNNYDYGTXRV-UHFFFAOYSA-N 0 0 336.372 4.423 50 0 EIAARN COc1ccc(C)cc1CSc1nnc(-c2ccc(C)cc2)n1C ZINC000008132477 564163018 /nfs/dbraw/zinc/16/30/18/564163018.db2.gz WNBIHIODHIEXFZ-UHFFFAOYSA-N 0 0 339.464 4.400 50 0 EIAARN Cc1cccc2nc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cn21 ZINC000008163311 564163265 /nfs/dbraw/zinc/16/32/65/564163265.db2.gz SNJAWZLTIHNNAW-UHFFFAOYSA-N 0 0 348.450 4.275 50 0 EIAARN Cc1sc2nc(CN3CCCC3)nc(NC3CCCC3)c2c1C ZINC000008192044 564163483 /nfs/dbraw/zinc/16/34/83/564163483.db2.gz DPZOUQIZUIVVPS-UHFFFAOYSA-N 0 0 330.501 4.258 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000008195584 564163513 /nfs/dbraw/zinc/16/35/13/564163513.db2.gz BHUDGOIPKMDOQD-UHFFFAOYSA-N 0 0 344.480 4.095 50 0 EIAARN Cc1ccc(-c2nnc(Sc3ncnc4sccc43)o2)cc1 ZINC000008199910 564163542 /nfs/dbraw/zinc/16/35/42/564163542.db2.gz JFDCPBYCOGTFSR-UHFFFAOYSA-N 0 0 326.406 4.201 50 0 EIAARN C[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc2ccccc2c1 ZINC000008226132 564163605 /nfs/dbraw/zinc/16/36/05/564163605.db2.gz HDJYGLSVYROHOK-OAHLLOKOSA-N 0 0 336.410 4.438 50 0 EIAARN Fc1ccc(OCc2cc(-c3ccco3)on2)c(Br)c1 ZINC000008222248 564163614 /nfs/dbraw/zinc/16/36/14/564163614.db2.gz OMFDBERLFDZNNA-UHFFFAOYSA-N 0 0 338.132 4.415 50 0 EIAARN O=C(CCCSc1n[nH]c(-c2cccs2)n1)c1ccc(F)cc1 ZINC000008230961 564163712 /nfs/dbraw/zinc/16/37/12/564163712.db2.gz ZIZAGUUVFYBIIR-UHFFFAOYSA-N 0 0 347.440 4.428 50 0 EIAARN CCCN1Cc2cccc(NC(=O)c3ccccc3SC)c2C1 ZINC000171309547 564163840 /nfs/dbraw/zinc/16/38/40/564163840.db2.gz KPKQVVCUNALDJT-UHFFFAOYSA-N 0 0 326.465 4.386 50 0 EIAARN C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc2c(c1)CCCC2 ZINC000008268753 564163914 /nfs/dbraw/zinc/16/39/14/564163914.db2.gz AATMNMLVJLCKKE-CQSZACIVSA-N 0 0 334.419 4.127 50 0 EIAARN COc1ccccc1-c1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 ZINC000008296930 564164081 /nfs/dbraw/zinc/16/40/81/564164081.db2.gz NJWISHJYKQTSGZ-UHFFFAOYSA-N 0 0 336.416 4.005 50 0 EIAARN CC(C)Nc1nnc(S[C@H](C)C(=O)c2ccc(Cl)cc2)s1 ZINC000008428589 564165240 /nfs/dbraw/zinc/16/52/40/564165240.db2.gz CHHDRSCLVFUGPT-SECBINFHSA-N 0 0 341.889 4.375 50 0 EIAARN C[C@@H](Oc1ccc(C2CCCCC2)cc1)C(=O)NCC(F)(F)F ZINC000008344286 564164656 /nfs/dbraw/zinc/16/46/56/564164656.db2.gz KUEJNYSGNQUOQX-GFCCVEGCSA-N 0 0 329.362 4.180 50 0 EIAARN Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1C ZINC000008367360 564164764 /nfs/dbraw/zinc/16/47/64/564164764.db2.gz UGIAHPSJXACXMH-UHFFFAOYSA-N 0 0 328.462 4.418 50 0 EIAARN Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)c(O)c1 ZINC000008378679 564164778 /nfs/dbraw/zinc/16/47/78/564164778.db2.gz VVVZWVOUKPQBIU-UHFFFAOYSA-N 0 0 337.419 4.181 50 0 EIAARN c1cc2c(ncnc2N2CCC(c3nc4ccccc4o3)CC2)s1 ZINC000008392523 564165009 /nfs/dbraw/zinc/16/50/09/564165009.db2.gz CEGBKVJDTYFZIX-UHFFFAOYSA-N 0 0 336.420 4.217 50 0 EIAARN O=C(CCc1ccco1)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000008406153 564165158 /nfs/dbraw/zinc/16/51/58/564165158.db2.gz VXOWRWAKNKZIJL-UHFFFAOYSA-N 0 0 335.359 4.070 50 0 EIAARN Cn1c2ccc(N)cc2nc1-c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000008442498 564165349 /nfs/dbraw/zinc/16/53/49/564165349.db2.gz HGVHONTYFTYTBX-UHFFFAOYSA-N 0 0 339.402 4.366 50 0 EIAARN O=C(COc1ccc2ccccc2c1)OCc1nc2ccccc2o1 ZINC000008524070 564165586 /nfs/dbraw/zinc/16/55/86/564165586.db2.gz RASXGPRFPGEHDM-UHFFFAOYSA-N 0 0 333.343 4.103 50 0 EIAARN CCc1ccccc1NC(=O)c1ccc2c(c1)nnn2C1CCCC1 ZINC000008599015 564165983 /nfs/dbraw/zinc/16/59/83/564165983.db2.gz QFCOIYDCSFOMDR-UHFFFAOYSA-N 0 0 334.423 4.361 50 0 EIAARN CCOc1ccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1 ZINC000008602760 564166029 /nfs/dbraw/zinc/16/60/29/564166029.db2.gz FGLKEGOVTCQCAN-INIZCTEOSA-N 0 0 337.423 4.106 50 0 EIAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccccc2)no1 ZINC000008612358 564166089 /nfs/dbraw/zinc/16/60/89/564166089.db2.gz XNLAFQAUZSJWLR-MRXNPFEDSA-N 0 0 340.354 4.277 50 0 EIAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccccc2)no1 ZINC000008612356 564166097 /nfs/dbraw/zinc/16/60/97/564166097.db2.gz XNLAFQAUZSJWLR-INIZCTEOSA-N 0 0 340.354 4.277 50 0 EIAARN Cc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)ns2)cc1 ZINC000008673404 564166271 /nfs/dbraw/zinc/16/62/71/564166271.db2.gz MECRVHGRKOWNHX-CMDGGOBGSA-N 0 0 327.434 4.227 50 0 aggregator EIAARN C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccccc1 ZINC000008708041 564166553 /nfs/dbraw/zinc/16/65/53/564166553.db2.gz GLCKOMXNYWYKKG-JTQLQIEISA-N 0 0 326.343 4.220 50 0 EIAARN COCc1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000008708994 564166593 /nfs/dbraw/zinc/16/65/93/564166593.db2.gz OZPVFXJDDRLBLE-LBPRGKRZSA-N 0 0 337.341 4.343 50 0 EIAARN COc1ccc(-c2nnc(CN3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000008718823 564166878 /nfs/dbraw/zinc/16/68/78/564166878.db2.gz OKNNGLOAHCHHCW-UHFFFAOYSA-N 0 0 347.418 4.035 50 0 EIAARN Cc1ccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 ZINC000008751398 564167257 /nfs/dbraw/zinc/16/72/57/564167257.db2.gz AJIANNHZBVADLJ-UHFFFAOYSA-N 0 0 342.345 4.500 50 0 EIAARN COc1ccc(OC(F)F)c(NC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000040120576 564168189 /nfs/dbraw/zinc/16/81/89/564168189.db2.gz YZTWVEZHPJBIIK-NSHDSACASA-N 0 0 336.338 4.179 50 0 EIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccnc1SC(C)C ZINC000040120109 564168221 /nfs/dbraw/zinc/16/82/21/564168221.db2.gz OXMYAVKFFKJAQP-CQSZACIVSA-N 0 0 344.480 4.390 50 0 EIAARN O=C(NCc1cccs1)Nc1cccnc1Oc1ccccc1 ZINC000040121149 564168246 /nfs/dbraw/zinc/16/82/46/564168246.db2.gz GGWCYWLKKRAVNH-UHFFFAOYSA-N 0 0 325.393 4.257 50 0 EIAARN CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1 ZINC000069185364 564168568 /nfs/dbraw/zinc/16/85/68/564168568.db2.gz MSNMKSNVRZFTBG-MRXNPFEDSA-N 0 0 326.396 4.122 50 0 EIAARN CCOc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1OC(F)F ZINC000245228203 564168756 /nfs/dbraw/zinc/16/87/56/564168756.db2.gz JWBLZTUCQBUYHU-YRGRVCCFSA-N 0 0 341.398 4.241 50 0 EIAARN CCOc1cccc(C(=O)Nc2ccc(NCc3ccccn3)cc2)c1 ZINC000069434442 564169428 /nfs/dbraw/zinc/16/94/28/564169428.db2.gz WPDJPUFIJOXWHL-UHFFFAOYSA-N 0 0 347.418 4.345 50 0 EIAARN O=C(CC(F)(F)F)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000069739305 564171869 /nfs/dbraw/zinc/17/18/69/564171869.db2.gz JWMAVBKYQCNWJL-NSHDSACASA-N 0 0 325.252 4.321 50 0 EIAARN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N(Cc1ccccn1)C1CC1 ZINC000069485357 564169809 /nfs/dbraw/zinc/16/98/09/564169809.db2.gz ZBRZZVAYVBXEDQ-KRWDZBQOSA-N 0 0 348.368 4.309 50 0 EIAARN O=C(CCc1ccccn1)Nc1cccc(CSc2ccccn2)c1 ZINC000069488811 564169850 /nfs/dbraw/zinc/16/98/50/564169850.db2.gz JTOSHCRSRQLMOT-UHFFFAOYSA-N 0 0 349.459 4.340 50 0 EIAARN CN(CCC(F)(F)F)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000069516024 564170044 /nfs/dbraw/zinc/17/00/44/564170044.db2.gz WPSBVMACAIGQCZ-UHFFFAOYSA-N 0 0 332.709 4.019 50 0 EIAARN Cc1noc(C)c1CNc1ccccc1NC(=O)Cc1cccs1 ZINC000069518369 564170113 /nfs/dbraw/zinc/17/01/13/564170113.db2.gz WQADBAHYTIHWEB-UHFFFAOYSA-N 0 0 341.436 4.146 50 0 EIAARN Cc1ncsc1CNC(=O)Nc1ccc(SC(F)F)cc1 ZINC000069539010 564170353 /nfs/dbraw/zinc/17/03/53/564170353.db2.gz FRWOPCLSJXEYNC-UHFFFAOYSA-N 0 0 329.397 4.088 50 0 EIAARN C[C@H]1CN(C(=O)c2csc3c2CCCC3)C[C@@H](c2ccccc2)O1 ZINC000069569791 564170577 /nfs/dbraw/zinc/17/05/77/564170577.db2.gz HCIAPUDCQYPYOG-KSSFIOAISA-N 0 0 341.476 4.229 50 0 EIAARN Cc1noc(Cl)c1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000069584686 564170684 /nfs/dbraw/zinc/17/06/84/564170684.db2.gz FEHCSPYLOGBXMZ-NSHDSACASA-N 0 0 332.787 4.145 50 0 EIAARN O=C1c2ccccc2NC2(CCCCC2)N1c1ccc2c(c1)OCO2 ZINC000009157392 564170706 /nfs/dbraw/zinc/17/07/06/564170706.db2.gz QHMKNKOCMVDIOY-UHFFFAOYSA-N 0 0 336.391 4.148 50 0 EIAARN CCSc1ccc([C@H](C)NC(=O)N(C)Cc2c(C)noc2C)cc1 ZINC000069587368 564170730 /nfs/dbraw/zinc/17/07/30/564170730.db2.gz DAPRPQRVRHMZII-LBPRGKRZSA-N 0 0 347.484 4.306 50 0 EIAARN CN(C(=O)C[C@@H]1OCCc2ccsc21)c1nc2ccccc2s1 ZINC000069654218 564171198 /nfs/dbraw/zinc/17/11/98/564171198.db2.gz BXKJLARNNBTADQ-ZDUSSCGKSA-N 0 0 344.461 4.025 50 0 EIAARN COc1cccc([C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000069741419 564171915 /nfs/dbraw/zinc/17/19/15/564171915.db2.gz PNUXBXRUGZZWAS-MJGOQNOKSA-N 0 0 339.460 4.076 50 0 EIAARN O=C(c1sc2ccccc2c1Cl)N1CCC[C@H](n2ccnc2)C1 ZINC000070011779 564173266 /nfs/dbraw/zinc/17/32/66/564173266.db2.gz CUIKFHCICFDDJD-LBPRGKRZSA-N 0 0 345.855 4.229 50 0 EIAARN Cc1oc(-c2ccco2)nc1CC(=O)N1CCCC[C@H]1c1ccco1 ZINC000070019839 564173360 /nfs/dbraw/zinc/17/33/60/564173360.db2.gz VMAWFYHOFUAULM-HNNXBMFYSA-N 0 0 340.379 4.132 50 0 EIAARN COc1ccc([C@H]2CCCN2c2cc(C)nc(-c3ccncc3)n2)cc1 ZINC000070037479 564173446 /nfs/dbraw/zinc/17/34/46/564173446.db2.gz BUBXAJCYXFOSGD-LJQANCHMSA-N 0 0 346.434 4.197 50 0 EIAARN C[C@@H](CCNC(=O)c1cccnc1NC1CCCC1)c1ccccc1 ZINC000070039289 564173497 /nfs/dbraw/zinc/17/34/97/564173497.db2.gz IUDBAGJDLGQNSB-INIZCTEOSA-N 0 0 337.467 4.360 50 0 EIAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C)c2ncccc12 ZINC000041157031 564173613 /nfs/dbraw/zinc/17/36/13/564173613.db2.gz INKVZVKECXZIDQ-SFHVURJKSA-N 0 0 338.382 4.478 50 0 EIAARN O=c1nc(COc2ccccc2)[nH]c2scc(-c3cccs3)c21 ZINC000042138658 564174684 /nfs/dbraw/zinc/17/46/84/564174684.db2.gz VTDBCTQIWGVWDN-UHFFFAOYSA-N 0 0 340.429 4.292 50 0 EIAARN O=C(NCc1ccc(F)cc1)N(Cc1ccsc1)Cc1ccco1 ZINC000042382100 564174969 /nfs/dbraw/zinc/17/49/69/564174969.db2.gz UHTFFIMCEDEUGC-UHFFFAOYSA-N 0 0 344.411 4.392 50 0 EIAARN O=C(Nc1ccc2c[nH]nc2c1)C1c2ccccc2Oc2ccccc21 ZINC000042383394 564174984 /nfs/dbraw/zinc/17/49/84/564174984.db2.gz RDWWCJJLUMZTAA-UHFFFAOYSA-N 0 0 341.370 4.439 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)ccc1O ZINC000071750309 564175222 /nfs/dbraw/zinc/17/52/22/564175222.db2.gz QPGQPBQQGQGQRJ-SFHVURJKSA-N 0 0 337.463 4.494 50 0 EIAARN CN(Cc1ccccc1)C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000071799685 564175471 /nfs/dbraw/zinc/17/54/71/564175471.db2.gz FUWPHKASRTULPK-HXUWFJFHSA-N 0 0 331.419 4.013 50 0 EIAARN Nc1ccccc1-c1nc(-c2cccc(N3CCCC3=O)c2)cs1 ZINC000071817803 564175598 /nfs/dbraw/zinc/17/55/98/564175598.db2.gz VRFFMTFHLUKDCM-UHFFFAOYSA-N 0 0 335.432 4.186 50 0 EIAARN CCOc1ccccc1C1CCN(C(=O)[C@H]2C[C@H]2c2ccco2)CC1 ZINC000071841893 564175841 /nfs/dbraw/zinc/17/58/41/564175841.db2.gz XBIRNCUVMUCMQA-MSOLQXFVSA-N 0 0 339.435 4.188 50 0 EIAARN CCOc1ccccc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 ZINC000071841890 564175850 /nfs/dbraw/zinc/17/58/50/564175850.db2.gz XBIRNCUVMUCMQA-ZWKOTPCHSA-N 0 0 339.435 4.188 50 0 EIAARN CC[C@H](c1ccccc1)N(CC)C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000071842680 564175888 /nfs/dbraw/zinc/17/58/88/564175888.db2.gz MKGFNURDRYGZHT-HXUWFJFHSA-N 0 0 348.446 4.070 50 0 EIAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(COC)n1 ZINC000071844369 564175914 /nfs/dbraw/zinc/17/59/14/564175914.db2.gz JEVLESHCHHKJEU-DOTOQJQBSA-N 0 0 344.480 4.088 50 0 EIAARN O=C(CCCc1nc2ccccc2o1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000071847953 564175981 /nfs/dbraw/zinc/17/59/81/564175981.db2.gz RAEBRTNCRWLDCF-HZPDHXFCSA-N 0 0 326.440 4.189 50 0 EIAARN CCOCc1ccccc1NC(=O)NCc1nc(C(C)(C)C)cs1 ZINC000071857012 564176082 /nfs/dbraw/zinc/17/60/82/564176082.db2.gz AISWEKIEPWXMLH-UHFFFAOYSA-N 0 0 347.484 4.299 50 0 EIAARN CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@H](C)c2nccs2)cc1 ZINC000071879728 564176344 /nfs/dbraw/zinc/17/63/44/564176344.db2.gz VHNVUBVNUPAOAF-CHWSQXEVSA-N 0 0 333.457 4.052 50 0 EIAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000076619693 564176477 /nfs/dbraw/zinc/17/64/77/564176477.db2.gz XLNGBONCGZQDRH-VKJFTORMSA-N 0 0 337.423 4.062 50 0 EIAARN CCO[C@@H](C)c1nc(CN(Cc2cccc(O)c2)C2CC2)cs1 ZINC000076729183 564176483 /nfs/dbraw/zinc/17/64/83/564176483.db2.gz ISFUTXXRRXHOIY-ZDUSSCGKSA-N 0 0 332.469 4.111 50 0 EIAARN Cc1ccccc1-n1cc(C(=O)Nc2ccccc2OCC2CC2)cn1 ZINC000076932376 564176550 /nfs/dbraw/zinc/17/65/50/564176550.db2.gz KHTIRLKOOGSCDP-UHFFFAOYSA-N 0 0 347.418 4.222 50 0 EIAARN CO[C@H](C)c1cccc(NC(=O)N[C@@H](CCCO)c2ccccc2)c1 ZINC000077699139 564176838 /nfs/dbraw/zinc/17/68/38/564176838.db2.gz PEPAMKLFSZSISP-BEFAXECRSA-N 0 0 342.439 4.029 50 0 EIAARN O=C(Nc1ccc2scnc2c1)c1ccccc1-c1cncnc1 ZINC000078100009 564176906 /nfs/dbraw/zinc/17/69/06/564176906.db2.gz RFPGCJRRPWHDQX-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN C[C@@H](C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccs1 ZINC000078089337 564176914 /nfs/dbraw/zinc/17/69/14/564176914.db2.gz VBYOVZBABQIPBM-ABAIWWIYSA-N 0 0 341.436 4.218 50 0 EIAARN O=C(Nc1ccccc1)N1CCC[C@@H](OCc2cccc(F)c2)C1 ZINC000036315835 564177567 /nfs/dbraw/zinc/17/75/67/564177567.db2.gz LLEBLXTZEMZPCR-GOSISDBHSA-N 0 0 328.387 4.039 50 0 EIAARN C[C@H](C(=O)OC(C)(C)C)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000006183021 568420298 /nfs/dbraw/zinc/42/02/98/568420298.db2.gz 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Cc1cc(CC(=O)Nc2cc(Cl)ccc2N2CCC[C@H](C)C2)on1 ZINC000952866536 1049681727 /nfs/dbraw/zinc/68/17/27/1049681727.db2.gz BIBAOJCNGHXHBZ-LBPRGKRZSA-N 0 0 347.846 4.054 50 0 EIAARN CC[C@H](C)C(=O)Nc1ccccc1C(=O)N(CC)Cc1ccc(C)o1 ZINC000952867118 1049681858 /nfs/dbraw/zinc/68/18/58/1049681858.db2.gz JDWIHKMFIWWKMH-AWEZNQCLSA-N 0 0 342.439 4.235 50 0 EIAARN O=C(Nc1ccc2scnc2c1)c1ccc([C@H]2CCCO2)s1 ZINC000952984338 1049689847 /nfs/dbraw/zinc/68/98/47/1049689847.db2.gz ZWTCKGBAYISWDI-GFCCVEGCSA-N 0 0 330.434 4.462 50 0 EIAARN CC(C)c1ccc([C@@H](C)NC(=O)/C=C/c2cc(CO)cs2)cc1 ZINC000952987950 1049692350 /nfs/dbraw/zinc/69/23/50/1049692350.db2.gz KUPAEANUNOQNJP-MYSGNRETSA-N 0 0 329.465 4.254 50 0 EIAARN CCCn1nccc1NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC000513552996 1049698333 /nfs/dbraw/zinc/69/83/33/1049698333.db2.gz FKUOQTLIZDFGIQ-HXUWFJFHSA-N 0 0 340.471 4.269 50 0 EIAARN Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1F ZINC000007850999 1049837413 /nfs/dbraw/zinc/83/74/13/1049837413.db2.gz OIUBZENAWYIJMC-UHFFFAOYSA-N 0 0 346.833 4.058 50 0 EIAARN C[C@H](NC(=O)NC1CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000185518818 1052623016 /nfs/dbraw/zinc/62/30/16/1052623016.db2.gz HHOAZWRNRALIIF-LBPRGKRZSA-N 0 0 332.831 4.032 50 0 EIAARN CCCNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(F)c1 ZINC000006724572 1055291529 /nfs/dbraw/zinc/29/15/29/1055291529.db2.gz GQGYGFCHRJDNRV-GOSISDBHSA-N 0 0 338.426 4.366 50 0 EIAARN CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000087160916 1056521944 /nfs/dbraw/zinc/52/19/44/1056521944.db2.gz UEMOMTJNOJLLMO-SFHVURJKSA-N 0 0 326.440 4.014 50 0 EIAARN Cc1ccc(OCC[C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000581788725 1059993116 /nfs/dbraw/zinc/99/31/16/1059993116.db2.gz UHFFXYFHNVZGPO-INIZCTEOSA-N 0 0 327.399 4.065 50 0 EIAARN O=C(Nc1ccccc1)N1CC[C@@H](CCOc2ccccc2F)C1 ZINC000581788128 1059993853 /nfs/dbraw/zinc/99/38/53/1059993853.db2.gz AOMGSAABVQJEFD-HNNXBMFYSA-N 0 0 328.387 4.149 50 0 EIAARN O=C(c1ccoc1)N1CCCCC[C@H]1c1nnc(-c2ccccc2)o1 ZINC000581790486 1060009027 /nfs/dbraw/zinc/00/90/27/1060009027.db2.gz LHMKEFZTHDMEMV-INIZCTEOSA-N 0 0 337.379 4.087 50 0 EIAARN Cc1cnc(-c2ccccc2)n1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000581805493 1060016050 /nfs/dbraw/zinc/01/60/50/1060016050.db2.gz AWAZEQDNVKVXPM-IBGZPJMESA-N 0 0 337.467 4.212 50 0 EIAARN Cc1cnc(-c2ccccc2)n1C1CCN(C(=O)CC(C)C)CC1 ZINC000581808721 1060023366 /nfs/dbraw/zinc/02/33/66/1060023366.db2.gz HOSCSNIMAFNYHC-UHFFFAOYSA-N 0 0 325.456 4.068 50 0 EIAARN Cc1nn(C)c2nc(C(=O)Nc3ccc(Cl)cc3)cc(C3CC3)c12 ZINC000004745570 210267881 /nfs/dbraw/zinc/26/78/81/210267881.db2.gz BBAIVDFNHCVARD-UHFFFAOYSA-N 0 0 340.814 4.060 50 0 EIAARN CCCCNc1ncc2c(n1)C[C@@H](c1cccc(Cl)c1)CC2=O ZINC000004741298 210266014 /nfs/dbraw/zinc/26/60/14/210266014.db2.gz GGFKOASEAHZNAI-CYBMUJFWSA-N 0 0 329.831 4.255 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)n[nH]2)cc1 ZINC000051315493 214087006 /nfs/dbraw/zinc/08/70/06/214087006.db2.gz JSWXKGTXNXYFHV-UHFFFAOYSA-N 0 0 339.370 4.175 50 0 EIAARN COc1ccc(Nc2c(-c3ccc(F)cc3)nc3cnccn32)cc1 ZINC000004733478 210264421 /nfs/dbraw/zinc/26/44/21/210264421.db2.gz DZEDSYSJFFSDRX-UHFFFAOYSA-N 0 0 334.354 4.288 50 0 EIAARN COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000051354206 214089550 /nfs/dbraw/zinc/08/95/50/214089550.db2.gz OCVZNGQUHOCOLK-UHFFFAOYSA-N 0 0 340.301 4.367 50 0 EIAARN COc1ccc(C(=O)N(C)Cc2ccc(O)cc2)cc1-c1ccccc1 ZINC000051343832 214090066 /nfs/dbraw/zinc/09/00/66/214090066.db2.gz NAALLCWNIIPXDT-UHFFFAOYSA-N 0 0 347.414 4.340 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2cc(F)ccc2Cl)cc1 ZINC000051354294 214090218 /nfs/dbraw/zinc/09/02/18/214090218.db2.gz JSGASYUFUJIRPV-UHFFFAOYSA-N 0 0 336.750 4.300 50 0 EIAARN CN(Cc1csc(-c2ncccn2)n1)[C@H]1CCCc2ccccc21 ZINC000051232897 214083751 /nfs/dbraw/zinc/08/37/51/214083751.db2.gz ZCOHJKRWSNFEDU-KRWDZBQOSA-N 0 0 336.464 4.110 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccccc3)cn2)c1 ZINC000062545484 214722096 /nfs/dbraw/zinc/72/20/96/214722096.db2.gz SWDGKTDDYYLDRC-UHFFFAOYSA-N 0 0 334.375 4.018 50 0 EIAARN CC(=O)C1=NN(c2ccccc2)C2(S1)C1CC3CC(C1)CC2C3 ZINC000004727423 210261243 /nfs/dbraw/zinc/26/12/43/210261243.db2.gz ZEVVCXQOMUEPFN-UHFFFAOYSA-N 0 0 326.465 4.295 50 0 EIAARN CC(=O)N1N=C(c2ccccc2)O[C@@]1(C)C12CC3CC(CC(C3)C1)C2 ZINC000004721526 210259786 /nfs/dbraw/zinc/25/97/86/210259786.db2.gz WCGKVOSPIUCGCL-FFWRVTDESA-N 0 0 338.451 4.160 50 0 EIAARN C[C@@H](NC(=S)N[C@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000053534353 214187792 /nfs/dbraw/zinc/18/77/92/214187792.db2.gz KHHVOZSRDRQLTM-DYVFJYSZSA-N 0 0 344.455 4.265 50 0 EIAARN COc1ccc(/C=C/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000004704747 210254535 /nfs/dbraw/zinc/25/45/35/210254535.db2.gz NRQCIWSDJNWYOU-ZUZMZGHOSA-N 0 0 337.400 4.492 50 0 EIAARN C/C=C/c1ccc(OCCOc2c(OC)cccc2OC)c(OC)c1 ZINC000004702065 210253073 /nfs/dbraw/zinc/25/30/73/210253073.db2.gz AYVZGRPGWNSTNH-FNORWQNLSA-N 0 0 344.407 4.203 50 0 EIAARN CCOc1ccc(NC(=O)CSc2cccc3cccnc32)cc1 ZINC000004698821 210251857 /nfs/dbraw/zinc/25/18/57/210251857.db2.gz AHJCYFKYUHXEOB-UHFFFAOYSA-N 0 0 338.432 4.364 50 0 EIAARN O=C(CCC(=O)N1CCCCC1)N(c1ccccc1)c1ccccc1 ZINC000004700574 210251444 /nfs/dbraw/zinc/25/14/44/210251444.db2.gz HFHVNOSGAGXLBG-UHFFFAOYSA-N 0 0 336.435 4.144 50 0 EIAARN O=C(Nc1ccccc1SCc1ccccc1F)c1ccnnc1 ZINC000055099564 214272114 /nfs/dbraw/zinc/27/21/14/214272114.db2.gz JOLOIVWJKFCLDD-UHFFFAOYSA-N 0 0 339.395 4.160 50 0 EIAARN CN(C)C(=O)Cc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000055049205 214267910 /nfs/dbraw/zinc/26/79/10/214267910.db2.gz YDSHKFHYGVLSOW-UHFFFAOYSA-N 0 0 334.444 4.012 50 0 EIAARN COc1ccccc1CN(C(=O)c1cc(-c2ccccc2)on1)C1CC1 ZINC000055120090 214277004 /nfs/dbraw/zinc/27/70/04/214277004.db2.gz SQYSRVDXMDKIFA-UHFFFAOYSA-N 0 0 348.402 4.155 50 0 EIAARN CCC[C@H](C)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000004696192 210249997 /nfs/dbraw/zinc/24/99/97/210249997.db2.gz FPAQKQGCZKEPKJ-JTQLQIEISA-N 0 0 339.848 4.145 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)C1=NO[C@H](c2ccccc2)C1 ZINC000055159001 214281385 /nfs/dbraw/zinc/28/13/85/214281385.db2.gz KQUZCFPRGRXXRZ-KRWDZBQOSA-N 0 0 349.415 4.266 50 0 EIAARN CC(C)n1cc(CN(Cc2nccs2)Cc2ccccc2)cn1 ZINC000055182981 214284189 /nfs/dbraw/zinc/28/41/89/214284189.db2.gz XUTHXKUEDJPJOL-UHFFFAOYSA-N 0 0 326.469 4.123 50 0 EIAARN CCN(CCCCO)C(=O)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055198253 214287487 /nfs/dbraw/zinc/28/74/87/214287487.db2.gz KMYUMYJHUYUJKP-UHFFFAOYSA-N 0 0 345.870 4.165 50 0 EIAARN CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccco2)cc1 ZINC000004690541 210249629 /nfs/dbraw/zinc/24/96/29/210249629.db2.gz XDNDEQMLSPMJAE-OAHLLOKOSA-N 0 0 342.439 4.074 50 0 EIAARN CCN(C/C=C/c1ccccc1)C(=O)CCc1nc2ccccc2[nH]1 ZINC000055327948 214307780 /nfs/dbraw/zinc/30/77/80/214307780.db2.gz PLFWQHWEKMFZFJ-DHZHZOJOSA-N 0 0 333.435 4.057 50 0 EIAARN Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)nn1C(C)(C)C ZINC000055364640 214313254 /nfs/dbraw/zinc/31/32/54/214313254.db2.gz LEGKBXSHVBWCRW-GOSISDBHSA-N 0 0 340.471 4.099 50 0 EIAARN CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1oc(CC)nc1C ZINC000055385939 214315535 /nfs/dbraw/zinc/31/55/35/214315535.db2.gz NWFPBRKOFDEKMR-UHFFFAOYSA-N 0 0 343.427 4.235 50 0 EIAARN O=C(c1ccc(Cl)cc1)N(Cc1ccco1)c1ccc(O)cc1 ZINC000004691587 210248990 /nfs/dbraw/zinc/24/89/90/210248990.db2.gz JFPDDPAYTPWMKJ-UHFFFAOYSA-N 0 0 327.767 4.486 50 0 EIAARN COCC1(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C(C)C)CCC1 ZINC000055413602 214321075 /nfs/dbraw/zinc/32/10/75/214321075.db2.gz WFRPICJJXBFWDY-LJQANCHMSA-N 0 0 340.467 4.066 50 0 EIAARN CN(Cc1ccccn1)C(=O)C[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000055414533 214322538 /nfs/dbraw/zinc/32/25/38/214322538.db2.gz NNNXLOWFRPGTRP-OAQYLSRUSA-N 0 0 348.421 4.401 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccccn1 ZINC000055514301 214327382 /nfs/dbraw/zinc/32/73/82/214327382.db2.gz BRGOJZIJLSCQOG-HXUWFJFHSA-N 0 0 333.435 4.249 50 0 EIAARN CCCCOc1cc(F)ccc1-c1ncccc1C(=O)N1CCCC1 ZINC000097785326 219056718 /nfs/dbraw/zinc/05/67/18/219056718.db2.gz VUSDHEJGGFQCGE-UHFFFAOYSA-N 0 0 342.414 4.303 50 0 EIAARN Cc1cc(F)ccc1C(=O)N(Cc1ccsc1)C[C@H]1CCCO1 ZINC000055568912 214330342 /nfs/dbraw/zinc/33/03/42/214330342.db2.gz AOMMIMVIDQUDTE-MRXNPFEDSA-N 0 0 333.428 4.017 50 0 EIAARN Cc1noc2ncc(C(=O)N[C@H](C)c3ccccc3C(F)(F)F)cc12 ZINC000055671923 214337805 /nfs/dbraw/zinc/33/78/05/214337805.db2.gz RKOVNDQIMHPUNO-SECBINFHSA-N 0 0 349.312 4.041 50 0 EIAARN Cc1cccc(N(C)C(=O)CCc2nc(-c3ccsc3)no2)c1C ZINC000055896898 214346341 /nfs/dbraw/zinc/34/63/41/214346341.db2.gz SYXNJYBFMZUUNI-UHFFFAOYSA-N 0 0 341.436 4.011 50 0 EIAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(F)cc2)c1 ZINC000004682372 210246852 /nfs/dbraw/zinc/24/68/52/210246852.db2.gz HQVANSMHUJALHU-UHFFFAOYSA-N 0 0 346.427 4.131 50 0 EIAARN O=C(c1ccon1)N(CCC1=CCCCC1)Cc1ccc(F)cc1 ZINC000097823088 219058764 /nfs/dbraw/zinc/05/87/64/219058764.db2.gz ZVIKHQZSQKDMMA-UHFFFAOYSA-N 0 0 328.387 4.347 50 0 EIAARN C[C@@H](c1ccco1)N(C(=O)Cc1coc(-c2ccccc2)n1)C1CC1 ZINC000056183165 214364084 /nfs/dbraw/zinc/36/40/84/214364084.db2.gz GZSCUAVFJFHUKR-AWEZNQCLSA-N 0 0 336.391 4.229 50 0 EIAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000056444499 214374433 /nfs/dbraw/zinc/37/44/33/214374433.db2.gz JIFHHBKUHOEPNW-LSDHHAIUSA-N 0 0 339.439 4.075 50 0 EIAARN CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000056444497 214375088 /nfs/dbraw/zinc/37/50/88/214375088.db2.gz JIFHHBKUHOEPNW-GJZGRUSLSA-N 0 0 339.439 4.075 50 0 EIAARN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)n(C)n2)c1C ZINC000174283793 231166994 /nfs/dbraw/zinc/16/69/94/231166994.db2.gz QOMAWXZRKLYIPH-SFHVURJKSA-N 0 0 325.456 4.138 50 0 EIAARN CC[C@@H](C)n1ncc(C(=O)Nc2cc(F)ccc2C(C)=O)c1C1CC1 ZINC000184848863 529441378 /nfs/dbraw/zinc/44/13/78/529441378.db2.gz JIPSGAWFGJUDLW-LLVKDONJSA-N 0 0 343.402 4.326 50 0 EIAARN CCCN=C1NC(=Cc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000004664712 210242045 /nfs/dbraw/zinc/24/20/45/210242045.db2.gz DSNDTMVLIOLRCE-ATVHPVEESA-N 0 0 339.826 4.083 50 0 EIAARN CCN(CC)C1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000004664709 210241785 /nfs/dbraw/zinc/24/17/85/210241785.db2.gz QAGQYSPMNAHWIQ-CYVLTUHYSA-N 0 0 333.435 4.081 50 0 EIAARN COc1ccc(-c2nc(C)ncc2-c2ccc(Cl)cc2)c(O)c1 ZINC000097956545 219064644 /nfs/dbraw/zinc/06/46/44/219064644.db2.gz PGXWGFDPQCIAEQ-UHFFFAOYSA-N 0 0 326.783 4.487 50 0 EIAARN CC(C)N1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O ZINC000004661426 210239295 /nfs/dbraw/zinc/23/92/95/210239295.db2.gz JISBNTZNHYUXTA-XNTDXEJSSA-N 0 0 330.384 4.061 50 0 EIAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C\c1ccc(F)cc1 ZINC000098007716 219067898 /nfs/dbraw/zinc/06/78/98/219067898.db2.gz ALPXJZJOOPSAGS-WZUFQYTHSA-N 0 0 338.382 4.135 50 0 EIAARN CCN(C)c1cccc(NC(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000058315510 214543248 /nfs/dbraw/zinc/54/32/48/214543248.db2.gz NYPJVJUTGDMNHZ-UHFFFAOYSA-N 0 0 331.847 4.460 50 0 EIAARN Cc1cccc(C)c1-n1nnnc1S[C@H]1CCCc2ccccc21 ZINC000058377203 214564943 /nfs/dbraw/zinc/56/49/43/214564943.db2.gz AOWGFDNDKZNZSR-KRWDZBQOSA-N 0 0 336.464 4.449 50 0 EIAARN O=C(/C=C/c1ccccn1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000058406556 214575666 /nfs/dbraw/zinc/57/56/66/214575666.db2.gz COVXIJDWLJONRX-JLHYYAGUSA-N 0 0 347.345 4.071 50 0 EIAARN CCOc1ccc2sc(=O)c(Nc3ccccc3Cl)nc2c1 ZINC000004623392 210233889 /nfs/dbraw/zinc/23/38/89/210233889.db2.gz MNWIBKUFOYDMBW-UHFFFAOYSA-N 0 0 332.812 4.452 50 0 EIAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@H]1CC=CCC1 ZINC000058439865 214588700 /nfs/dbraw/zinc/58/87/00/214588700.db2.gz XJOVSAPNNAAJFQ-JTQLQIEISA-N 0 0 348.657 4.498 50 0 EIAARN CCCc1noc([C@@H](C)Nc2cccc(NC(=O)OCC)c2C)n1 ZINC000058440264 214588775 /nfs/dbraw/zinc/58/87/75/214588775.db2.gz PERCBRGRHSYTCR-GFCCVEGCSA-N 0 0 332.404 4.072 50 0 EIAARN Cc1ncc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc32)s1 ZINC000058494951 214592150 /nfs/dbraw/zinc/59/21/50/214592150.db2.gz YWFADJFLQJZICG-UHFFFAOYSA-N 0 0 337.448 4.149 50 0 EIAARN Cc1cc(CNC(=O)N2CCC(c3cccc4ccccc43)CC2)no1 ZINC000058573228 214595939 /nfs/dbraw/zinc/59/59/39/214595939.db2.gz YALUTALFNRYNFS-UHFFFAOYSA-N 0 0 349.434 4.225 50 0 EIAARN O=C1c2ccccc2N[C@H](/C=C\c2ccco2)N1CCc1ccccc1 ZINC000098055502 219075461 /nfs/dbraw/zinc/07/54/61/219075461.db2.gz RIKVWEOJLHFJPY-SQZREULQSA-N 0 0 344.414 4.430 50 0 EIAARN COc1ccccc1N(C)C(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000059782166 214623981 /nfs/dbraw/zinc/62/39/81/214623981.db2.gz DNIOTPYUMGGLAS-UHFFFAOYSA-N 0 0 347.842 4.479 50 0 EIAARN Cn1ncc2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl ZINC000049549789 214017707 /nfs/dbraw/zinc/01/77/07/214017707.db2.gz JDUKJQBOKLBVBU-LBPRGKRZSA-N 0 0 328.224 4.151 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000049544386 214016896 /nfs/dbraw/zinc/01/68/96/214016896.db2.gz SGOGNQPIVNHDHB-SFHVURJKSA-N 0 0 347.418 4.165 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccccc1OCCc1ccccc1 ZINC000049546357 214016977 /nfs/dbraw/zinc/01/69/77/214016977.db2.gz QMPYEMIMAYXZPR-QGZVFWFLSA-N 0 0 347.418 4.165 50 0 EIAARN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc1O ZINC000004571441 210224782 /nfs/dbraw/zinc/22/47/82/210224782.db2.gz AUJSUQSWVKFZNK-XXFAHNHDSA-N 0 0 344.436 4.016 50 0 EIAARN Cc1ccc(-c2nc(CCNC(=O)c3ccccc3C)cs2)cc1 ZINC000004570726 210223146 /nfs/dbraw/zinc/22/31/46/210223146.db2.gz GROBWDPAOTUGNO-UHFFFAOYSA-N 0 0 336.460 4.399 50 0 EIAARN COc1ccc(C(C)=O)cc1CSc1nc(C)nc2ccccc21 ZINC000004562845 210222131 /nfs/dbraw/zinc/22/21/31/210222131.db2.gz SODBXBPNUFCIBW-UHFFFAOYSA-N 0 0 338.432 4.442 50 0 EIAARN CCOc1ccc(NC(=O)c2sccc2Br)cc1 ZINC000004541998 210218214 /nfs/dbraw/zinc/21/82/14/210218214.db2.gz FAMYXLJTNDLZIB-UHFFFAOYSA-N 0 0 326.215 4.162 50 0 EIAARN Cc1cccc(Nc2nc(C(=O)NCCC3=CCCCC3)cs2)n1 ZINC000062022557 214693606 /nfs/dbraw/zinc/69/36/06/214693606.db2.gz PFMTXONPWZIJGF-UHFFFAOYSA-N 0 0 342.468 4.210 50 0 EIAARN CSc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000004517686 210210992 /nfs/dbraw/zinc/21/09/92/210210992.db2.gz NHPOQQNTEWCKAD-UHFFFAOYSA-N 0 0 345.811 4.364 50 0 EIAARN c1ccc2cc(-c3nn4c(nnc4-c4cccnc4)s3)ccc2c1 ZINC000004511749 210208607 /nfs/dbraw/zinc/20/86/07/210208607.db2.gz UWLIKIHLYFFATM-UHFFFAOYSA-N 0 0 329.388 4.068 50 0 EIAARN CCOC(=O)c1ccc(N[P@@](C)(=O)Oc2ccc(OC)cc2)cc1 ZINC000100315668 219096539 /nfs/dbraw/zinc/09/65/39/219096539.db2.gz WEVYPJDCFLVKSU-DEOSSOPVSA-N 0 0 349.323 4.186 50 0 EIAARN O=C(OCc1cccc2ccccc21)c1ccc(-c2ccco2)[nH]c1=O ZINC000062335696 214711185 /nfs/dbraw/zinc/71/11/85/214711185.db2.gz HXBKGHXOAZDFCJ-UHFFFAOYSA-N 0 0 345.354 4.145 50 0 EIAARN Cc1ccc(SCCC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000004496507 210203887 /nfs/dbraw/zinc/20/38/87/210203887.db2.gz DTUSRCCLXHINSP-UHFFFAOYSA-N 0 0 332.494 4.451 50 0 EIAARN O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1 ZINC000004496598 210203915 /nfs/dbraw/zinc/20/39/15/210203915.db2.gz NJJNBIPAYOHIAA-UHFFFAOYSA-N 0 0 349.799 4.104 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1nc2ccc(F)cc2s1 ZINC000004496718 210203549 /nfs/dbraw/zinc/20/35/49/210203549.db2.gz UTFVRENLKRUZCE-UHFFFAOYSA-N 0 0 336.388 4.305 50 0 EIAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC1CCCCCC1 ZINC000004485038 210199968 /nfs/dbraw/zinc/19/99/68/210199968.db2.gz XJZLUFALVKUYAE-UHFFFAOYSA-N 0 0 337.876 4.147 50 0 EIAARN Cc1ccccc1C1=N/C(=C\c2ccc(Br)s2)C(=O)O1 ZINC000004471790 210195390 /nfs/dbraw/zinc/19/53/90/210195390.db2.gz PSRPVJOTTOTHAO-WQLSENKSSA-N 0 0 348.221 4.164 50 0 EIAARN Cc1ccc2[nH]cc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)c2c1 ZINC000004452669 210194116 /nfs/dbraw/zinc/19/41/16/210194116.db2.gz GTJNMPLTADTDLI-UHFFFAOYSA-N 0 0 344.205 4.426 50 0 EIAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1)N1CCCC1 ZINC000064471782 214787354 /nfs/dbraw/zinc/78/73/54/214787354.db2.gz BJLJOQPFYFPZDH-UHFFFAOYSA-N 0 0 335.382 4.354 50 0 EIAARN Cc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccc(C)c(C)c1)=N2 ZINC000100716729 219105123 /nfs/dbraw/zinc/10/51/23/219105123.db2.gz NVXFLCFWLKSQME-IBGZPJMESA-N 0 0 334.398 4.398 50 0 EIAARN O=NN(CCc1ccncc1)c1ccc(OCc2ccccc2)cc1 ZINC000004456043 210193206 /nfs/dbraw/zinc/19/32/06/210193206.db2.gz ZFPGGPXGWDOUOI-UHFFFAOYSA-N 0 0 333.391 4.391 50 0 EIAARN Cc1cc2c(s/c(=N\C(=O)c3ccc(Cl)s3)n2C)c(C)c1 ZINC000100823967 219108207 /nfs/dbraw/zinc/10/82/07/219108207.db2.gz PWISIEIZJDLPMC-ICFOKQHNSA-N 0 0 336.869 4.313 50 0 EIAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3c(F)cccc3Cl)C2)cc1 ZINC000100951437 219112779 /nfs/dbraw/zinc/11/27/79/219112779.db2.gz FKKRMRRHOYICRY-INIZCTEOSA-N 0 0 340.789 4.435 50 0 EIAARN O=c1c2scc(-c3ccc(F)cc3)c2ncn1Cc1ccccc1 ZINC000064667716 214798842 /nfs/dbraw/zinc/79/88/42/214798842.db2.gz GAESMZUQTHNKNX-UHFFFAOYSA-N 0 0 336.391 4.312 50 0 EIAARN CCn1cnc2ccc(-c3noc(-c4ccc(OC)cc4C)n3)cc21 ZINC000064759508 214802929 /nfs/dbraw/zinc/80/29/29/214802929.db2.gz NIJRWMQIHUFFFJ-UHFFFAOYSA-N 0 0 334.379 4.090 50 0 EIAARN CCCC(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl ZINC000004386305 210184378 /nfs/dbraw/zinc/18/43/78/210184378.db2.gz ZEXPQBMYSUCURW-UHFFFAOYSA-N 0 0 341.842 4.154 50 0 EIAARN O=c1nc2n(nc1-c1ccccc1)C1(CCCCC1)Nc1ccccc1-2 ZINC000101018127 219114180 /nfs/dbraw/zinc/11/41/80/219114180.db2.gz DJIVWFWEQYTMJC-UHFFFAOYSA-N 0 0 344.418 4.015 50 0 EIAARN COc1ccc(/C=C/c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000004361472 210180831 /nfs/dbraw/zinc/18/08/31/210180831.db2.gz VPAXIVMOONAONE-FMIVXFBMSA-N 0 0 334.404 4.032 50 0 EIAARN Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)c(C)c1 ZINC000101137299 219116945 /nfs/dbraw/zinc/11/69/45/219116945.db2.gz JYCRFHOUJNWOOZ-PIKOESSRSA-N 0 0 335.447 4.319 50 0 EIAARN Fc1cccc(Oc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000004355256 210178451 /nfs/dbraw/zinc/17/84/51/210178451.db2.gz POIWTASLUBZQKT-UHFFFAOYSA-N 0 0 340.745 4.400 50 0 EIAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000064984747 214820372 /nfs/dbraw/zinc/82/03/72/214820372.db2.gz NQGOQTNOKMVQEY-OAHLLOKOSA-N 0 0 329.400 4.176 50 0 EIAARN Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NC2CCCCC2)n1 ZINC000065010175 214822715 /nfs/dbraw/zinc/82/27/15/214822715.db2.gz QSBCKCNNNIWSCV-UHFFFAOYSA-N 0 0 339.395 4.162 50 0 EIAARN COc1ccc(-c2cc3ccc(OC(=O)C(C)C)cc3oc2=O)cc1 ZINC000004340125 210175293 /nfs/dbraw/zinc/17/52/93/210175293.db2.gz ICSNKYVXOCZNFO-UHFFFAOYSA-N 0 0 338.359 4.030 50 0 biogenic EIAARN Cc1ccc(-c2noc(-c3ccc(N4CCCCCC4)nc3)n2)cc1 ZINC000065097789 214828746 /nfs/dbraw/zinc/82/87/46/214828746.db2.gz RPUAUYLSGIMRKL-UHFFFAOYSA-N 0 0 334.423 4.487 50 0 EIAARN Cc1nc(-c2ccccc2)sc1CCNC(=O)c1cccs1 ZINC000004338427 210174482 /nfs/dbraw/zinc/17/44/82/210174482.db2.gz VCMZRBBQYGWPGT-UHFFFAOYSA-N 0 0 328.462 4.153 50 0 EIAARN Cc1ccccc1CNC(=O)c1sc(-n2cccc2)nc1C(C)C ZINC000065118577 214830008 /nfs/dbraw/zinc/83/00/08/214830008.db2.gz JCJVAMRSQRALRR-UHFFFAOYSA-N 0 0 339.464 4.296 50 0 EIAARN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 ZINC000065135356 214831547 /nfs/dbraw/zinc/83/15/47/214831547.db2.gz AKJGRAZGFIWOTP-LJQANCHMSA-N 0 0 349.478 4.348 50 0 EIAARN Fc1cccc(CSc2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000004326728 210171431 /nfs/dbraw/zinc/17/14/31/210171431.db2.gz BVXYOUOJQXYQDB-UHFFFAOYSA-N 0 0 342.424 4.284 50 0 EIAARN CCn1cc(CCNC(=O)Nc2ccc(C)cc2C)c2cccnc21 ZINC000065156319 214834893 /nfs/dbraw/zinc/83/48/93/214834893.db2.gz HTSJACBSUUJFOX-UHFFFAOYSA-N 0 0 336.439 4.037 50 0 EIAARN CCCn1cc(CCNC(=O)c2ccc(C)cc2C)c2cccnc21 ZINC000065163866 214835226 /nfs/dbraw/zinc/83/52/26/214835226.db2.gz JQRJZGBFQCQDPD-UHFFFAOYSA-N 0 0 335.451 4.036 50 0 EIAARN C[C@@H]1C(=O)Nc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc21 ZINC000101463272 219128479 /nfs/dbraw/zinc/12/84/79/219128479.db2.gz WBZWUHHYQOPFMC-NSHDSACASA-N 0 0 349.415 4.118 50 0 EIAARN CCn1ccc2c1cccc2CCC(=O)NCc1cc(F)ccc1F ZINC000065210233 214843222 /nfs/dbraw/zinc/84/32/22/214843222.db2.gz NJUCDCVWMYKYJY-UHFFFAOYSA-N 0 0 342.389 4.188 50 0 EIAARN CSc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000004303515 210164835 /nfs/dbraw/zinc/16/48/35/210164835.db2.gz NZGXQIAKLVEMPP-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN CSc1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000004303516 210164958 /nfs/dbraw/zinc/16/49/58/210164958.db2.gz QVRPCZIDTUCURD-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN Cc1ccc(SCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000004303357 210163214 /nfs/dbraw/zinc/16/32/14/210163214.db2.gz MJIIPFLSHCDOSO-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000004293505 210162607 /nfs/dbraw/zinc/16/26/07/210162607.db2.gz GAZMCGHPHRQBPT-SFTDATJTSA-N 0 0 349.455 4.482 50 0 EIAARN CCc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000004286620 210162455 /nfs/dbraw/zinc/16/24/55/210162455.db2.gz JQFWWSVYMLWEPO-OAHLLOKOSA-N 0 0 349.430 4.478 50 0 EIAARN COCC1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1 ZINC000065285750 214862464 /nfs/dbraw/zinc/86/24/64/214862464.db2.gz HZPCVCYGDMJVDP-UHFFFAOYSA-N 0 0 346.496 4.317 50 0 EIAARN O=C([C@H]1CCCc2ccccc21)N1CCC(Nc2ccccc2)CC1 ZINC000048292315 213914071 /nfs/dbraw/zinc/91/40/71/213914071.db2.gz LTKXEMFSMZLXDR-NRFANRHFSA-N 0 0 334.463 4.210 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2sccc2C(=O)OCC)cc1 ZINC000004275703 210158214 /nfs/dbraw/zinc/15/82/14/210158214.db2.gz BQAUBYPCFQPEEF-UHFFFAOYSA-N 0 0 347.436 4.356 50 0 EIAARN O=C(Cc1cccc2ccccc21)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000004275978 210158038 /nfs/dbraw/zinc/15/80/38/210158038.db2.gz VQPFDWINVPKIMB-UHFFFAOYSA-N 0 0 347.349 4.210 50 0 EIAARN COc1ccc2[nH]c(SCc3cc(C(C)=O)ccc3OC)nc2c1 ZINC000004252326 210154193 /nfs/dbraw/zinc/15/41/93/210154193.db2.gz LBCDSLUENUCEIA-UHFFFAOYSA-N 0 0 342.420 4.075 50 0 EIAARN Cc1oc(-c2ccccc2)nc1-c1c(-c2ccccc2)ncn1CCO ZINC000065381341 214880849 /nfs/dbraw/zinc/88/08/49/214880849.db2.gz NDQHQYPJKVXQGG-UHFFFAOYSA-N 0 0 345.402 4.173 50 0 EIAARN Cc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O ZINC000004225225 210146594 /nfs/dbraw/zinc/14/65/94/210146594.db2.gz WVVPBBXVRCAFIY-LBPRGKRZSA-N 0 0 325.799 4.045 50 0 EIAARN Cc1nn(C)cc1-c1ccnc(N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000048066928 213885784 /nfs/dbraw/zinc/88/57/84/213885784.db2.gz NLPGZFFTXNVOBZ-LLVKDONJSA-N 0 0 327.819 4.012 50 0 EIAARN Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3CNC2=O)cc1 ZINC000004188897 210142104 /nfs/dbraw/zinc/14/21/04/210142104.db2.gz WFKIVFGLFJMMGG-UHFFFAOYSA-N 0 0 327.427 4.268 50 0 EIAARN CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccccc1 ZINC000004165843 210136731 /nfs/dbraw/zinc/13/67/31/210136731.db2.gz NIKOGSHEFBGJHR-UHFFFAOYSA-N 0 0 347.374 4.166 50 0 EIAARN FC(F)Oc1ccc(NC(=S)N2CCCc3ccccc32)cc1 ZINC000004134952 210129978 /nfs/dbraw/zinc/12/99/78/210129978.db2.gz VPPFWYSZLNYLNA-UHFFFAOYSA-N 0 0 334.391 4.438 50 0 EIAARN CCn1ccnc1-c1c(-c2ccccc2)ncn1CCc1ccncc1 ZINC000065536384 214951908 /nfs/dbraw/zinc/95/19/08/214951908.db2.gz CEPCLWIAYQOLRI-UHFFFAOYSA-N 0 0 343.434 4.071 50 0 EIAARN c1csc(-c2nc(CSc3nncc4ccccc43)no2)c1 ZINC000065552218 214958116 /nfs/dbraw/zinc/95/81/16/214958116.db2.gz KWLKQXYCEHDEQA-UHFFFAOYSA-N 0 0 326.406 4.034 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCN=C2SCc2ccccc2F)c1 ZINC000004120508 210125918 /nfs/dbraw/zinc/12/59/18/210125918.db2.gz PFAVNCGQLBFTCF-UHFFFAOYSA-N 0 0 342.439 4.188 50 0 EIAARN Cc1ccccc1C(=O)N1CCN=C1SCc1ccccc1Cl ZINC000004120253 210125027 /nfs/dbraw/zinc/12/50/27/210125027.db2.gz FPYUBRKHOKSMJO-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN Cc1ccccc1CSC1=NCCN1C(=O)c1ccccc1Cl ZINC000004120021 210124732 /nfs/dbraw/zinc/12/47/32/210124732.db2.gz JUCXNOLDMPVBOM-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccccc2F)c1 ZINC000004120313 210124821 /nfs/dbraw/zinc/12/48/21/210124821.db2.gz IKXMBGYZXCHQKL-UHFFFAOYSA-N 0 0 342.439 4.188 50 0 EIAARN Cc1cccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)c1 ZINC000004120056 210124855 /nfs/dbraw/zinc/12/48/55/210124855.db2.gz DNUNYWJNQRYZIY-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1 ZINC000004119836 210124877 /nfs/dbraw/zinc/12/48/77/210124877.db2.gz MHXFPSNULKNEDF-UHFFFAOYSA-N 0 0 344.867 4.014 50 0 EIAARN O=C(c1ccccc1F)N1CCN=C1SCc1ccc(Cl)cc1 ZINC000004120070 210124329 /nfs/dbraw/zinc/12/43/29/210124329.db2.gz FFLHXEJRSTWEPN-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN CC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3)n2)s1 ZINC000004116989 210123912 /nfs/dbraw/zinc/12/39/12/210123912.db2.gz SDACBVNETUKBAH-UHFFFAOYSA-N 0 0 330.438 4.277 50 0 EIAARN COc1ccc(-c2cc3n(c2)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000004088691 210118197 /nfs/dbraw/zinc/11/81/97/210118197.db2.gz KTGWSTMFRFLPDW-UHFFFAOYSA-N 0 0 335.403 4.404 50 0 biogenic EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)cc1F ZINC000004090379 210117977 /nfs/dbraw/zinc/11/79/77/210117977.db2.gz XOSVREHMXJQDKN-UHFFFAOYSA-N 0 0 331.347 4.044 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1C(F)(F)F ZINC000004079005 210115261 /nfs/dbraw/zinc/11/52/61/210115261.db2.gz KBYNWDSDBYWGIF-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN CC[C@@H](C)Sc1nnc(NC(=O)c2c(F)cccc2Cl)s1 ZINC000004079415 210114270 /nfs/dbraw/zinc/11/42/70/210114270.db2.gz ZQHWPIUUVOLMER-SSDOTTSWSA-N 0 0 345.852 4.474 50 0 EIAARN CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000004070437 210111068 /nfs/dbraw/zinc/11/10/68/210111068.db2.gz IKKFRPBRAPJYHC-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN CCCC[C@@H](CC)C(=O)N[C@@H](C)CNC(=O)[C@@H](CC)CCCC ZINC000101897947 219170933 /nfs/dbraw/zinc/17/09/33/219170933.db2.gz NQBVGWKSYOLZMJ-YESZJQIVSA-N 0 0 326.525 4.040 50 0 EIAARN Cc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)cc1Cl ZINC000004033563 210104565 /nfs/dbraw/zinc/10/45/65/210104565.db2.gz NPVQDBXWGWWOHD-GFCCVEGCSA-N 0 0 325.799 4.045 50 0 EIAARN Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O ZINC000004033252 210104433 /nfs/dbraw/zinc/10/44/33/210104433.db2.gz BYSRPXRULVBPQW-LBPRGKRZSA-N 0 0 325.799 4.045 50 0 EIAARN CCC(=O)N(C(=O)CC)c1cc2oc3ccccc3c2cc1OC ZINC000004041528 210106274 /nfs/dbraw/zinc/10/62/74/210106274.db2.gz ZESBYDIWBSXLAD-UHFFFAOYSA-N 0 0 325.364 4.274 50 0 EIAARN COc1cccc(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)c1 ZINC000046018640 213774346 /nfs/dbraw/zinc/77/43/46/213774346.db2.gz BXLUVBDZGZKSCP-SFHVURJKSA-N 0 0 344.842 4.395 50 0 EIAARN Cc1c(OC(=O)c2ccccc2)cccc1OC(=O)c1ccccc1 ZINC000004017297 210100069 /nfs/dbraw/zinc/10/00/69/210100069.db2.gz AJFVSPMJQTWONR-UHFFFAOYSA-N 0 0 332.355 4.433 50 0 EIAARN O=c1nc(C(F)(F)F)cc(C=Cc2cccc(Cl)c2Cl)[nH]1 ZINC000003998323 210096795 /nfs/dbraw/zinc/09/67/95/210096795.db2.gz KVSSQXDIZWFLMO-SNAWJCMRSA-N 0 0 335.112 4.266 50 0 EIAARN CSc1ccc(-c2[nH]c3ncnn3c2Nc2ccc(C)cc2)cc1 ZINC000003909972 210092048 /nfs/dbraw/zinc/09/20/48/210092048.db2.gz WPLOCMADIHGSGB-UHFFFAOYSA-N 0 0 335.436 4.498 50 0 EIAARN Cc1ccc(-n2c(/C=C/c3ccco3)nc3ccccc3c2=O)cc1 ZINC000003912934 210092055 /nfs/dbraw/zinc/09/20/55/210092055.db2.gz KEXVSOBAHFZGSB-OUKQBFOZSA-N 0 0 328.371 4.458 50 0 EIAARN COc1cc(-c2nc3ncccn3c2Nc2ccccc2C)ccc1O ZINC000003911573 210092068 /nfs/dbraw/zinc/09/20/68/210092068.db2.gz PLTCKXGNYFQCHS-UHFFFAOYSA-N 0 0 346.390 4.163 50 0 EIAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)CC(C)C ZINC000003906491 210090629 /nfs/dbraw/zinc/09/06/29/210090629.db2.gz PDJIJNSZMYOJIZ-UHFFFAOYSA-N 0 0 325.387 4.433 50 0 EIAARN Cc1[nH]c2ccccc2c1SCCNC(=O)/C=C/c1ccccc1 ZINC000003896110 210086939 /nfs/dbraw/zinc/08/69/39/210086939.db2.gz GJNNNZVFDDUOAP-VAWYXSNFSA-N 0 0 336.460 4.398 50 0 EIAARN O=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 ZINC000003895079 210086550 /nfs/dbraw/zinc/08/65/50/210086550.db2.gz CHZFWQHXHXBIQH-UHFFFAOYSA-N 0 0 328.500 4.223 50 0 EIAARN O=C(NCCSc1c[nH]c2ccccc12)c1cccc(Cl)c1 ZINC000003896100 210086098 /nfs/dbraw/zinc/08/60/98/210086098.db2.gz QFQCUQBQUSFJAD-UHFFFAOYSA-N 0 0 330.840 4.343 50 0 EIAARN CN(C)c1ccc(-c2nc3cnccn3c2Nc2ccccc2)cc1 ZINC000003896485 210086172 /nfs/dbraw/zinc/08/61/72/210086172.db2.gz ZEZHHLZRLFRIAB-UHFFFAOYSA-N 0 0 329.407 4.206 50 0 EIAARN COc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 ZINC000003880473 210083927 /nfs/dbraw/zinc/08/39/27/210083927.db2.gz RLSLXGRAOXZSPO-UHFFFAOYSA-N 0 0 343.390 4.082 50 0 EIAARN c1ccc(CNn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000003878170 210081900 /nfs/dbraw/zinc/08/19/00/210081900.db2.gz QYGATRJDIBBGDL-UHFFFAOYSA-N 0 0 329.403 4.359 50 0 EIAARN Fc1cccc(Cl)c1Cc1nnc(SCc2cccnc2)o1 ZINC000066257630 215028136 /nfs/dbraw/zinc/02/81/36/215028136.db2.gz UKSWEJYMNSSSPQ-UHFFFAOYSA-N 0 0 335.791 4.140 50 0 EIAARN O=[S@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1 ZINC000066300350 215032002 /nfs/dbraw/zinc/03/20/02/215032002.db2.gz YIESFFULPVRLKY-JOCHJYFZSA-N 0 0 331.824 4.444 50 0 EIAARN O=C(/C=C/c1ccco1)NCCOc1ccccc1-c1ccccc1 ZINC000003671878 210073559 /nfs/dbraw/zinc/07/35/59/210073559.db2.gz BSILTQWGAQBSDQ-OUKQBFOZSA-N 0 0 333.387 4.155 50 0 EIAARN Cc1ccc(C(C)C)c(OCCN2C(=O)C(=O)c3cccc(C)c32)c1 ZINC000003647797 210069870 /nfs/dbraw/zinc/06/98/70/210069870.db2.gz XXIRSPGJHHHYCD-UHFFFAOYSA-N 0 0 337.419 4.035 50 0 EIAARN CCc1ccc(N[C@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000003647950 210069902 /nfs/dbraw/zinc/06/99/02/210069902.db2.gz RRJROCXPCPUFOE-INIZCTEOSA-N 0 0 326.421 4.195 50 0 EIAARN CCCCC(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000003612493 210066168 /nfs/dbraw/zinc/06/61/68/210066168.db2.gz NSIVIONDWXODIR-UHFFFAOYSA-N 0 0 328.437 4.482 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000003565939 210056437 /nfs/dbraw/zinc/05/64/37/210056437.db2.gz RUNKPXZMYCWRDG-LJQANCHMSA-N 0 0 325.408 4.114 50 0 EIAARN COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000003565551 210055562 /nfs/dbraw/zinc/05/55/62/210055562.db2.gz OFXIXNZZMYVGIO-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Cl ZINC000003590804 210060504 /nfs/dbraw/zinc/06/05/04/210060504.db2.gz DBPISGZCAIMTEQ-UHFFFAOYSA-N 0 0 331.799 4.006 50 0 EIAARN C[C@H](c1ccc(C(=O)N2CCc3ccccc3C2)o1)[NH+]1CCCCC1 ZINC000102539629 219209107 /nfs/dbraw/zinc/20/91/07/219209107.db2.gz CFUFSLQOLJGFOH-MRXNPFEDSA-N 0 0 338.451 4.025 50 0 EIAARN COc1ccc(COC(=O)c2nc(-c3ccccc3)oc2C)cc1F ZINC000003551142 210053967 /nfs/dbraw/zinc/05/39/67/210053967.db2.gz ZSONSUJPSULXLC-UHFFFAOYSA-N 0 0 341.338 4.155 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000003548548 210051725 /nfs/dbraw/zinc/05/17/25/210051725.db2.gz VBSLLIXQMXNQTN-IBGZPJMESA-N 0 0 339.435 4.368 50 0 EIAARN CCC(CC)c1nnc(NC(=O)CCc2ccc(OC)cc2)s1 ZINC000003558547 210055203 /nfs/dbraw/zinc/05/52/03/210055203.db2.gz XRUPHPAHILHJKP-UHFFFAOYSA-N 0 0 333.457 4.022 50 0 EIAARN Cc1cc(=O)oc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc12 ZINC000003558447 210054626 /nfs/dbraw/zinc/05/46/26/210054626.db2.gz VWQONLLEZIECHP-UHFFFAOYSA-N 0 0 347.292 4.373 50 0 EIAARN Cc1cc(C)n2nc(SCc3ccc(Cl)cc3Cl)nc2n1 ZINC000003467191 210048255 /nfs/dbraw/zinc/04/82/55/210048255.db2.gz RBWKXOBKUCOWRP-UHFFFAOYSA-N 0 0 339.251 4.340 50 0 EIAARN Cc1nnc(NC(=O)c2ccc3ccn(Cc4ccccc4)c3c2)s1 ZINC000044922063 213676298 /nfs/dbraw/zinc/67/62/98/213676298.db2.gz PUZHXDGYZIGPAC-UHFFFAOYSA-N 0 0 348.431 4.102 50 0 EIAARN CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000003465117 210048336 /nfs/dbraw/zinc/04/83/36/210048336.db2.gz CPYDXWVDRPAIMN-LJQANCHMSA-N 0 0 342.826 4.087 50 0 EIAARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000102605288 219213797 /nfs/dbraw/zinc/21/37/97/219213797.db2.gz UCKUUTXBBIIZEL-KUHUBIRLSA-N 0 0 346.390 4.245 50 0 EIAARN Cc1[nH]nc2c1[C@H](c1ccc(OC3CCCC3)cc1)SCC(=O)N2 ZINC000044903664 213667874 /nfs/dbraw/zinc/66/78/74/213667874.db2.gz AXQICOJYDJHKDB-KRWDZBQOSA-N 0 0 343.452 4.464 50 0 EIAARN COc1cc2c(cc1N[C@H](C)C(=O)N1CCCC1)oc1ccccc12 ZINC000003457376 210045467 /nfs/dbraw/zinc/04/54/67/210045467.db2.gz DYVAWLHOKYLMAL-CYBMUJFWSA-N 0 0 338.407 4.017 50 0 EIAARN CCc1ccccc1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O ZINC000102602071 219213366 /nfs/dbraw/zinc/21/33/66/219213366.db2.gz ZCBHLUSOQLVXFZ-IPMKNSEASA-N 0 0 333.431 4.322 50 0 EIAARN CC(=O)N[C@H](CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 ZINC000003437762 210038238 /nfs/dbraw/zinc/03/82/38/210038238.db2.gz NCYGAAWPXFHQRX-LJQANCHMSA-N 0 0 338.451 4.190 50 0 EIAARN C[C@@H](NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000003443644 210041749 /nfs/dbraw/zinc/04/17/49/210041749.db2.gz KDMCNGMSQPIYDK-OAHLLOKOSA-N 0 0 339.435 4.018 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000066765693 215077371 /nfs/dbraw/zinc/07/73/71/215077371.db2.gz JZLAFGYUUBYZEX-GOSISDBHSA-N 0 0 326.440 4.020 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000066765691 215077382 /nfs/dbraw/zinc/07/73/82/215077382.db2.gz JZLAFGYUUBYZEX-SFHVURJKSA-N 0 0 326.440 4.020 50 0 EIAARN COc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc(F)cc1 ZINC000003442549 210039853 /nfs/dbraw/zinc/03/98/53/210039853.db2.gz MFRCSESLHRSHLH-UHFFFAOYSA-N 0 0 338.334 4.027 50 0 EIAARN O=C(CCC1CCCC1)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000066803521 215080235 /nfs/dbraw/zinc/08/02/35/215080235.db2.gz ACBBERAIOMRUDI-UHFFFAOYSA-N 0 0 338.455 4.190 50 0 EIAARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000102664530 219220665 /nfs/dbraw/zinc/22/06/65/219220665.db2.gz XUZDIBCIARCKOC-OXQOHEQNSA-N 0 0 342.402 4.343 50 0 EIAARN COc1cccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 ZINC000003422945 210034031 /nfs/dbraw/zinc/03/40/31/210034031.db2.gz DMMUXKVBRCWUFK-UHFFFAOYSA-N 0 0 340.404 4.334 50 0 EIAARN O=C(CSc1cc(Cl)ccc1Cl)NCc1ccccc1 ZINC000003417418 210033376 /nfs/dbraw/zinc/03/33/76/210033376.db2.gz JJTYOLYURZOQOY-UHFFFAOYSA-N 0 0 326.248 4.402 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)n1 ZINC000003412523 210031701 /nfs/dbraw/zinc/03/17/01/210031701.db2.gz SHDDAPBCMUCXSR-UHFFFAOYSA-N 0 0 331.419 4.230 50 0 EIAARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccco1 ZINC000102681497 219222519 /nfs/dbraw/zinc/22/25/19/219222519.db2.gz TXUIQPXLXNYXJB-QGZVFWFLSA-N 0 0 347.374 4.385 50 0 EIAARN Cn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003402351 210028747 /nfs/dbraw/zinc/02/87/47/210028747.db2.gz TVYSOAKNXRUQJO-UHFFFAOYSA-N 0 0 345.512 4.487 50 0 EIAARN COc1ccc(C)cc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000003402950 210028560 /nfs/dbraw/zinc/02/85/60/210028560.db2.gz SHPRJRCTPHWDAV-UHFFFAOYSA-N 0 0 340.206 4.328 50 0 EIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1 ZINC000003382480 210023767 /nfs/dbraw/zinc/02/37/67/210023767.db2.gz OMPZXUCQECKWPF-UHFFFAOYSA-N 0 0 332.133 4.289 50 0 EIAARN Cc1cc(C(=O)CCC(=O)NCCc2ccc(Cl)cc2)c(C)s1 ZINC000003376895 210022630 /nfs/dbraw/zinc/02/26/30/210022630.db2.gz YSWHIZAACRZJQN-UHFFFAOYSA-N 0 0 349.883 4.340 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)s1 ZINC000003384444 210024057 /nfs/dbraw/zinc/02/40/57/210024057.db2.gz CEEOVCUCXQPUHY-UHFFFAOYSA-N 0 0 331.437 4.150 50 0 EIAARN O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000003367699 210019658 /nfs/dbraw/zinc/01/96/58/210019658.db2.gz WRBNULJPRATXJR-CQSZACIVSA-N 0 0 328.462 4.264 50 0 EIAARN O=C(Cc1csc(-c2ccccc2)n1)NCCCc1ccccc1 ZINC000003359630 210017754 /nfs/dbraw/zinc/01/77/54/210017754.db2.gz AWBJVYNIEYAACL-UHFFFAOYSA-N 0 0 336.460 4.102 50 0 EIAARN CCc1cccc(C)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003359526 210017857 /nfs/dbraw/zinc/01/78/57/210017857.db2.gz FQOQWVNLDWWSBW-UHFFFAOYSA-N 0 0 343.370 4.377 50 0 EIAARN Cc1cc(C)n2nc(SCc3cccc(C(F)(F)F)c3)nc2n1 ZINC000003356115 210016270 /nfs/dbraw/zinc/01/62/70/210016270.db2.gz RKECHQGYOAZJIR-UHFFFAOYSA-N 0 0 338.358 4.052 50 0 EIAARN CCOC(=O)c1cc(NC(=O)N(CC)C2CCCCC2)c(C)nc1C ZINC000003354266 210015992 /nfs/dbraw/zinc/01/59/92/210015992.db2.gz HHZTWPZPZLDNAK-UHFFFAOYSA-N 0 0 347.459 4.062 50 0 EIAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000003345078 210014821 /nfs/dbraw/zinc/01/48/21/210014821.db2.gz POTSISFIPXACCS-UHFFFAOYSA-N 0 0 336.391 4.431 50 0 EIAARN COc1ccc(/C=C/C(=O)OCc2cccc(C(F)(F)F)c2)cc1 ZINC000003342302 210013194 /nfs/dbraw/zinc/01/31/94/210013194.db2.gz DOCJSAFTMSJXBM-JXMROGBWSA-N 0 0 336.309 4.471 50 0 EIAARN CCOc1ncccc1C(=O)OCc1c(Cl)cccc1Cl ZINC000003342140 210013213 /nfs/dbraw/zinc/01/32/13/210013213.db2.gz NQYGLFPGPCTHFG-UHFFFAOYSA-N 0 0 326.179 4.144 50 0 EIAARN Fc1ccccc1NC(=S)NCCc1ccc(C(F)(F)F)cc1 ZINC000003328213 210008598 /nfs/dbraw/zinc/00/85/98/210008598.db2.gz PRKGQBNWDDRUQE-UHFFFAOYSA-N 0 0 342.361 4.374 50 0 EIAARN C[C@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1cccc(Cl)c1 ZINC000044087142 213608089 /nfs/dbraw/zinc/60/80/89/213608089.db2.gz PRAJCBLUZWLEFB-NSHDSACASA-N 0 0 342.786 4.273 50 0 EIAARN COc1ccc(C(C)=O)cc1COC(=O)c1cccc2ccccc21 ZINC000003318016 210005380 /nfs/dbraw/zinc/00/53/80/210005380.db2.gz DOMHELNACXKBRX-UHFFFAOYSA-N 0 0 334.371 4.408 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Cl)s1 ZINC000003315905 210004904 /nfs/dbraw/zinc/00/49/04/210004904.db2.gz IXDLGEFBTGUAPA-UHFFFAOYSA-N 0 0 347.823 4.242 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)c(C)o1 ZINC000043939706 213601751 /nfs/dbraw/zinc/60/17/51/213601751.db2.gz QEVBFYDMDLNTTJ-UHFFFAOYSA-N 0 0 339.420 4.118 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000067197904 215122549 /nfs/dbraw/zinc/12/25/49/215122549.db2.gz GCEUSUXSTMECCC-INIZCTEOSA-N 0 0 339.435 4.153 50 0 EIAARN CCCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc21 ZINC000067261441 215128937 /nfs/dbraw/zinc/12/89/37/215128937.db2.gz MIBNOVLFDOTLCZ-UHFFFAOYSA-N 0 0 337.814 4.420 50 0 EIAARN Cc1ccccc1CSc1nc2ccsc2c(=O)n1C1CC1 ZINC000067259739 215129079 /nfs/dbraw/zinc/12/90/79/215129079.db2.gz ZLVDKOAIKPJXJU-UHFFFAOYSA-N 0 0 328.462 4.394 50 0 EIAARN Clc1ccc(-c2cc3c(N4CCCCCC4)nccn3n2)cc1 ZINC000067284767 215130233 /nfs/dbraw/zinc/13/02/33/215130233.db2.gz ZBFNOTMGAVTKFI-UHFFFAOYSA-N 0 0 326.831 4.430 50 0 EIAARN COc1ccc(CNC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000003297504 210000123 /nfs/dbraw/zinc/00/01/23/210000123.db2.gz YOSSKQRPQGRTAY-UHFFFAOYSA-N 0 0 341.451 4.078 50 0 EIAARN Cc1ccc(N2CCN(CC(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000067206505 215124297 /nfs/dbraw/zinc/12/42/97/215124297.db2.gz WTUJWVRKRJCMHL-UHFFFAOYSA-N 0 0 336.479 4.123 50 0 EIAARN COc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000003255010 209991093 /nfs/dbraw/zinc/99/10/93/209991093.db2.gz MMGAHWANKFZZNA-UHFFFAOYSA-N 0 0 331.165 4.435 50 0 EIAARN Cc1cc(C)c(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1C ZINC000003251618 209989722 /nfs/dbraw/zinc/98/97/22/209989722.db2.gz NGNZLCWCBMNTDR-CQSZACIVSA-N 0 0 329.465 4.060 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCSc3ccccc32)on1 ZINC000043167639 213565760 /nfs/dbraw/zinc/56/57/60/213565760.db2.gz YGXOYZALZBINNP-CABCVRRESA-N 0 0 343.452 4.067 50 0 EIAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC(C)C)cc12 ZINC000003241594 209986212 /nfs/dbraw/zinc/98/62/12/209986212.db2.gz ZADWMQKXNMUDIY-UHFFFAOYSA-N 0 0 333.844 4.187 50 0 EIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1C[C@@H]1C ZINC000003237946 209985345 /nfs/dbraw/zinc/98/53/45/209985345.db2.gz QCIJAURBVFWLQS-AAEUAGOBSA-N 0 0 329.421 4.186 50 0 EIAARN Cc1ccc2nc(NC(=O)c3cc(F)c(F)c(F)c3F)sc2c1 ZINC000003189245 209975040 /nfs/dbraw/zinc/97/50/40/209975040.db2.gz JDZGDOIVELJZCL-UHFFFAOYSA-N 0 0 340.301 4.413 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)Nc3cnc4n3CCCC4)ccc2c1 ZINC000067490343 215154848 /nfs/dbraw/zinc/15/48/48/215154848.db2.gz JMROKMFEEYLBNB-AWEZNQCLSA-N 0 0 349.434 4.123 50 0 EIAARN C[C@H]1CN(C(=O)Nc2cccc3cccnc32)C[C@@H](c2ccccc2)O1 ZINC000067559215 215162073 /nfs/dbraw/zinc/16/20/73/215162073.db2.gz AFFJXOHYKJOMIE-KXBFYZLASA-N 0 0 347.418 4.229 50 0 EIAARN CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000067567276 215163564 /nfs/dbraw/zinc/16/35/64/215163564.db2.gz JFKSOPVUOHNOJJ-FUHWJXTLSA-N 0 0 337.423 4.021 50 0 EIAARN Cc1ccc(N2C(=O)S[C@H](Nc3ccc(C)cc3C)C2=O)cc1 ZINC000003079895 209962173 /nfs/dbraw/zinc/96/21/73/209962173.db2.gz VPBMVIUHUWORQO-INIZCTEOSA-N 0 0 326.421 4.250 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)N[C@H](C)c2cc(C)oc2C)c1 ZINC000067663966 215177003 /nfs/dbraw/zinc/17/70/03/215177003.db2.gz QFQFELCFZVKZGL-GFCCVEGCSA-N 0 0 329.400 4.128 50 0 EIAARN CC(=O)c1ccc(NC(=O)N[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000042754084 213530802 /nfs/dbraw/zinc/53/08/02/213530802.db2.gz QEIAVLKEHIJDPP-LJQANCHMSA-N 0 0 334.375 4.393 50 0 EIAARN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](O)c1ccncc1 ZINC000003063505 209959226 /nfs/dbraw/zinc/95/92/26/209959226.db2.gz IOXPMDDEAPUIQK-GOSISDBHSA-N 0 0 341.303 4.424 50 0 EIAARN CC(C)(C)n1nc(C(=O)Nc2cccc3cccnc32)cc1C1CC1 ZINC000042711544 213528551 /nfs/dbraw/zinc/52/85/51/213528551.db2.gz JLPMDWXXHJPOLA-UHFFFAOYSA-N 0 0 334.423 4.316 50 0 EIAARN COCCN(C(=S)Nc1ccccc1Cl)[C@H](C)c1ccco1 ZINC000003050454 209958094 /nfs/dbraw/zinc/95/80/94/209958094.db2.gz PCGCAAYZEPEKQB-GFCCVEGCSA-N 0 0 338.860 4.339 50 0 EIAARN COCCN(C(=S)Nc1ccccc1Cl)[C@H](C)c1ccccn1 ZINC000003046581 209957273 /nfs/dbraw/zinc/95/72/73/209957273.db2.gz PPOSMLHKCRJHCH-CYBMUJFWSA-N 0 0 349.887 4.141 50 0 EIAARN O=C1OC(=CNOCc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000003029764 209955523 /nfs/dbraw/zinc/95/55/23/209955523.db2.gz KRQKVDIMUAACBY-NVNXTCNLSA-N 0 0 336.174 4.184 50 0 EIAARN C[C@@H](c1nccs1)n1ccnc1-c1nn(C)c2cccc(Cl)c12 ZINC000067692856 215188309 /nfs/dbraw/zinc/18/83/09/215188309.db2.gz RDSKMSWFBRBCFD-JTQLQIEISA-N 0 0 343.843 4.156 50 0 EIAARN COc1cc(C)ccc1OCCOCCOc1ccccc1Cl ZINC000002985678 209950959 /nfs/dbraw/zinc/95/09/59/209950959.db2.gz HAYMHWPNTNBFLK-UHFFFAOYSA-N 0 0 336.815 4.131 50 0 EIAARN Cc1oc(-c2ccco2)nc1Cn1c2ccccc2nc1[C@H]1CCCO1 ZINC000067758773 215206458 /nfs/dbraw/zinc/20/64/58/215206458.db2.gz PWOORPPMNAJVHF-QGZVFWFLSA-N 0 0 349.390 4.493 50 0 EIAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccccn1)CCO2 ZINC000067886498 215242115 /nfs/dbraw/zinc/24/21/15/215242115.db2.gz OZQJKVXVPJLQDJ-UHFFFAOYSA-N 0 0 346.430 4.157 50 0 EIAARN C[C@@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1-c1ncc[nH]1 ZINC000067948054 215257745 /nfs/dbraw/zinc/25/77/45/215257745.db2.gz YBUBQICMWGAXBX-HNNXBMFYSA-N 0 0 338.455 4.442 50 0 EIAARN Cc1ccsc1-c1nc(CN(C)Cc2noc(C(C)C)n2)c(C)o1 ZINC000067967240 215261791 /nfs/dbraw/zinc/26/17/91/215261791.db2.gz IYSHKCAMDXKVMK-UHFFFAOYSA-N 0 0 346.456 4.158 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccccc2)n1 ZINC000002798341 209916921 /nfs/dbraw/zinc/91/69/21/209916921.db2.gz GKKGYWTUWNOASI-UHFFFAOYSA-N 0 0 341.798 4.134 50 0 EIAARN Cc1cc(C)cc(OCn2ccc(C(=O)Nc3cccc(C)c3C)n2)c1 ZINC000002798750 209916820 /nfs/dbraw/zinc/91/68/20/209916820.db2.gz NLZDTZLBTYZRPB-UHFFFAOYSA-N 0 0 349.434 4.406 50 0 EIAARN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000002789161 209914580 /nfs/dbraw/zinc/91/45/80/209914580.db2.gz NMTDPKZAOITFIL-HNNXBMFYSA-N 0 0 330.428 4.385 50 0 EIAARN Cc1c(Cl)cccc1N1C(=O)C[C@@H]([C@@H](C)c2ccccc2)C1=O ZINC000103442214 219299435 /nfs/dbraw/zinc/29/94/35/219299435.db2.gz RWCOEDHENPOZRT-WFASDCNBSA-N 0 0 327.811 4.332 50 0 EIAARN CCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002755652 209903726 /nfs/dbraw/zinc/90/37/26/209903726.db2.gz BAMXRWOQKSWNDY-UHFFFAOYSA-N 0 0 348.402 4.160 50 0 EIAARN CCCOc1cccc(C(=O)Nc2sc(CC)cc2C(=O)OC)c1 ZINC000002750414 209902457 /nfs/dbraw/zinc/90/24/57/209902457.db2.gz IOIZBUMOEFNMLA-UHFFFAOYSA-N 0 0 347.436 4.138 50 0 EIAARN CCCCOc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O ZINC000002716363 209894879 /nfs/dbraw/zinc/89/48/79/209894879.db2.gz YJKQQVKCQGDOTI-UHFFFAOYSA-N 0 0 327.399 4.203 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccc(Cl)cc1 ZINC000002692788 209889837 /nfs/dbraw/zinc/88/98/37/209889837.db2.gz AGMCLATYBCONML-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN Cc1cccc(OCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1C ZINC000041156528 213428463 /nfs/dbraw/zinc/42/84/63/213428463.db2.gz QLEIRUBIYXGHSY-UHFFFAOYSA-N 0 0 327.468 4.015 50 0 EIAARN CC(C)CC(=O)N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl ZINC000002666986 209888526 /nfs/dbraw/zinc/88/85/26/209888526.db2.gz HIWHVMYWSFSWTA-GFCCVEGCSA-N 0 0 341.641 4.096 50 0 EIAARN O=C(COC(=O)C1CCC1)Nc1ccccc1Sc1ccccc1 ZINC000002657630 209886364 /nfs/dbraw/zinc/88/63/64/209886364.db2.gz QIVRHBHLRJOHCU-UHFFFAOYSA-N 0 0 341.432 4.120 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)COc2nc3ccccc3nc2C)cc1 ZINC000002652247 209884443 /nfs/dbraw/zinc/88/44/43/209884443.db2.gz DMVKCZIBAREAPM-CQSZACIVSA-N 0 0 349.434 4.469 50 0 EIAARN COc1ccc(CCNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002644833 209882007 /nfs/dbraw/zinc/88/20/07/209882007.db2.gz YPAUGRCCCAXNMB-IBGZPJMESA-N 0 0 345.870 4.447 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000002619566 209874712 /nfs/dbraw/zinc/87/47/12/209874712.db2.gz GRUCYPVPDYBGGX-UHFFFAOYSA-N 0 0 345.826 4.018 50 0 EIAARN Cc1ccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c(C)c1 ZINC000103814527 219324684 /nfs/dbraw/zinc/32/46/84/219324684.db2.gz JFWAHTOTLIRFHK-QYZOEREBSA-N 0 0 333.431 4.377 50 0 EIAARN S=c1nc(-c2ccccc2)n(C[C@@H]2CCCO2)c2c1CCCC2 ZINC000002550726 209865577 /nfs/dbraw/zinc/86/55/77/209865577.db2.gz XILRRKJQOJWTJM-HNNXBMFYSA-N 0 0 326.465 4.337 50 0 EIAARN O=c1c2ccc(Cl)cc2ncn1Cc1ccc(Cl)cc1Cl ZINC000002529395 209864482 /nfs/dbraw/zinc/86/44/82/209864482.db2.gz IGPADEPSMXSHDW-UHFFFAOYSA-N 0 0 339.609 4.405 50 0 EIAARN CCc1cc2c(nc(-c3ccc(Br)cc3)oc2=O)s1 ZINC000002462243 209853398 /nfs/dbraw/zinc/85/33/98/209853398.db2.gz KINHAYQGYGHGHH-UHFFFAOYSA-N 0 0 336.210 4.241 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000002209321 209830117 /nfs/dbraw/zinc/83/01/17/209830117.db2.gz GWUGBGGKAOCMNX-UHFFFAOYSA-N 0 0 336.435 4.264 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)n(C)n1 ZINC000068777119 215332884 /nfs/dbraw/zinc/33/28/84/215332884.db2.gz AOYVVOVJHBDWQI-KBXCAEBGSA-N 0 0 341.455 4.076 50 0 EIAARN O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000002157633 209825374 /nfs/dbraw/zinc/82/53/74/209825374.db2.gz OZDJFELGKCBAJR-UHFFFAOYSA-N 0 0 337.611 4.415 50 0 EIAARN CC(=O)N(CC[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000002092812 209818435 /nfs/dbraw/zinc/81/84/35/209818435.db2.gz VLJBAHSCBUFIGT-MJGOQNOKSA-N 0 0 335.488 4.496 50 0 biogenic EIAARN CC(=O)N(CC[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000002092808 209818600 /nfs/dbraw/zinc/81/86/00/209818600.db2.gz VLJBAHSCBUFIGT-HKUYNNGSSA-N 0 0 335.488 4.496 50 0 biogenic EIAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)C1CCCCC1 ZINC000069147459 215364837 /nfs/dbraw/zinc/36/48/37/215364837.db2.gz NSUPMVGHDHOMBQ-UHFFFAOYSA-N 0 0 349.837 4.378 50 0 EIAARN CCOC1CCN(C(=O)Nc2ccccc2-c2cccs2)CC1 ZINC000069347631 215381384 /nfs/dbraw/zinc/38/13/84/215381384.db2.gz YZYOSGHEBLZULE-UHFFFAOYSA-N 0 0 330.453 4.448 50 0 EIAARN FC(F)(F)c1cc(Cl)nc(Cl)c1I ZINC000040566671 213352652 /nfs/dbraw/zinc/35/26/52/213352652.db2.gz XUIRWSFROXFNIA-UHFFFAOYSA-N 0 0 341.885 4.012 50 0 EIAARN CCC[C@@H](c1ccccn1)N(C)C(=O)c1csc(-c2ccco2)n1 ZINC000069348777 215382687 /nfs/dbraw/zinc/38/26/87/215382687.db2.gz LJISIQYESOTEIF-HNNXBMFYSA-N 0 0 341.436 4.412 50 0 EIAARN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1Cl ZINC000069381016 215394899 /nfs/dbraw/zinc/39/48/99/215394899.db2.gz QSOUTAUGWAKCNV-SFHVURJKSA-N 0 0 340.785 4.394 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N(Cc2ccco2)C2CC2)cc1Cl ZINC000040526879 213336334 /nfs/dbraw/zinc/33/63/34/213336334.db2.gz MHQMBVXRWPITOJ-UHFFFAOYSA-N 0 0 347.802 4.088 50 0 EIAARN CCC[C@H](NC(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000069415496 215403697 /nfs/dbraw/zinc/40/36/97/215403697.db2.gz SIHWUXGWVOSSJM-HNNXBMFYSA-N 0 0 329.362 4.089 50 0 EIAARN C[C@@H](N[C@@H](c1cccnc1)C1CCCCC1)c1nc(C2CC2)no1 ZINC000069416035 215403856 /nfs/dbraw/zinc/40/38/56/215403856.db2.gz ZRGIKZAPHZJEGZ-CXAGYDPISA-N 0 0 326.444 4.314 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1C ZINC000040510900 213327840 /nfs/dbraw/zinc/32/78/40/213327840.db2.gz AIJOEECSKPFIIE-UHFFFAOYSA-N 0 0 337.379 4.105 50 0 EIAARN O=C1C(=O)N(Cc2ccccn2)[C@@H](c2ccccc2)C1c1ccccc1 ZINC000040485854 213316717 /nfs/dbraw/zinc/31/67/17/213316717.db2.gz YWVGUMMGUWSWHA-FQEVSTJZSA-N 0 0 342.398 4.134 50 0 EIAARN Cc1ccc(F)c(NC(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)c1 ZINC000069454992 215425616 /nfs/dbraw/zinc/42/56/16/215425616.db2.gz GCOWFHDNBWLLDQ-ZDUSSCGKSA-N 0 0 338.386 4.407 50 0 EIAARN 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CCc1noc(C)c1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000023793757 212396033 /nfs/dbraw/zinc/39/60/33/212396033.db2.gz KXHOZOGCGCQKJA-SECBINFHSA-N 0 0 326.318 4.055 50 0 EIAARN COc1ccc([C@@H](NC(=O)c2ccc(C(C)=O)s2)C(C)C)cc1 ZINC000023770922 212394955 /nfs/dbraw/zinc/39/49/55/212394955.db2.gz BOJFTTIZRBSBTG-KRWDZBQOSA-N 0 0 331.437 4.086 50 0 EIAARN CCCc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000023691713 212390594 /nfs/dbraw/zinc/39/05/94/212390594.db2.gz PMIUHGYVLXTWOI-QGZVFWFLSA-N 0 0 336.435 4.169 50 0 EIAARN C[C@@H](c1ccccc1)N(C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000023702010 212391456 /nfs/dbraw/zinc/39/14/56/212391456.db2.gz PWLRTFIDPFEFPI-LBPRGKRZSA-N 0 0 327.815 4.182 50 0 EIAARN O[C@H](CSc1nc2ccccc2c(NC2CC2)n1)c1ccccc1 ZINC000023674223 212389533 /nfs/dbraw/zinc/38/95/33/212389533.db2.gz GNHLZLLYMFXCDJ-QGZVFWFLSA-N 0 0 337.448 4.030 50 0 EIAARN Cc1nc(CC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)cs1 ZINC000023646417 212387938 /nfs/dbraw/zinc/38/79/38/212387938.db2.gz TVBPNJFFULPCBX-UHFFFAOYSA-N 0 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O=C(CC1CCCC1)NCc1ccc([C@H](O)c2ccccc2)s1 ZINC000207968846 241063386 /nfs/dbraw/zinc/06/33/86/241063386.db2.gz PAZIGGZCJSTRDV-LJQANCHMSA-N 0 0 329.465 4.026 50 0 EIAARN O=C(NCc1ccc([C@H](O)c2ccccc2)s1)Nc1ccccc1 ZINC000207973228 241063740 /nfs/dbraw/zinc/06/37/40/241063740.db2.gz NHIMIDICWXCKAG-GOSISDBHSA-N 0 0 338.432 4.152 50 0 EIAARN Cc1nnc([C@@H]2CCCN2Cc2ccc(SC3CCCCC3)o2)[nH]1 ZINC000215741713 241143358 /nfs/dbraw/zinc/14/33/58/241143358.db2.gz JDNHHZISDILUPX-INIZCTEOSA-N 0 0 346.500 4.468 50 0 EIAARN Nc1c(-c2ccc(F)cc2)cnn1-c1ccc(Br)cc1 ZINC000215852251 241150961 /nfs/dbraw/zinc/15/09/61/241150961.db2.gz WSGKBKVRJRTTDL-UHFFFAOYSA-N 0 0 332.176 4.023 50 0 EIAARN CN(CCSc1ccccc1)C(=O)c1ccc([C@@H]2CCCO2)s1 ZINC000215669675 241137927 /nfs/dbraw/zinc/13/79/27/241137927.db2.gz BDCLOWGXANDSHT-HNNXBMFYSA-N 0 0 347.505 4.464 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)NCC1(c2ccsc2)CCCC1 ZINC000217481339 241252303 /nfs/dbraw/zinc/25/23/03/241252303.db2.gz IZNNWTIEJUCPBQ-HNNXBMFYSA-N 0 0 329.465 4.144 50 0 EIAARN Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)sc2c1 ZINC000022024297 212270540 /nfs/dbraw/zinc/27/05/40/212270540.db2.gz GZQCUAGQJRIVNS-LLVKDONJSA-N 0 0 330.384 4.150 50 0 EIAARN Cc1ncsc1C(=O)N1CCS[C@@H](c2ccccc2C)CC1 ZINC000219291801 241373972 /nfs/dbraw/zinc/37/39/72/241373972.db2.gz DWOZJBMINRMMQI-OAHLLOKOSA-N 0 0 332.494 4.080 50 0 EIAARN Cc1cc(C)n(C2CN(C(=O)c3ccccc3-c3cccc(C)c3)C2)n1 ZINC000219363222 241382468 /nfs/dbraw/zinc/38/24/68/241382468.db2.gz DJKDSKQMNUNNEA-UHFFFAOYSA-N 0 0 345.446 4.172 50 0 EIAARN O=C(c1cc2ccccc2[nH]1)N1CCS[C@H](c2ccco2)CC1 ZINC000219366247 241383317 /nfs/dbraw/zinc/38/33/17/241383317.db2.gz DAGVHXBMWXTDFG-KRWDZBQOSA-N 0 0 326.421 4.081 50 0 EIAARN COc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)ccc1F ZINC000218852585 241347178 /nfs/dbraw/zinc/34/71/78/241347178.db2.gz OOJUIZBRLBJMGQ-AWEZNQCLSA-N 0 0 333.790 4.117 50 0 EIAARN Cc1cccc(-c2nocc2CCC(=O)NCC2CCCCC2)c1 ZINC000075510345 216627959 /nfs/dbraw/zinc/62/79/59/216627959.db2.gz IZYNCWBXEVCBDI-UHFFFAOYSA-N 0 0 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C[C@@H](CNc1nccn(-c2cccc(Cl)c2)c1=O)c1ccccc1 ZINC000021536952 212230459 /nfs/dbraw/zinc/23/04/59/212230459.db2.gz WUIZMLPWBXDSLB-AWEZNQCLSA-N 0 0 339.826 4.102 50 0 EIAARN C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000229572414 242181556 /nfs/dbraw/zinc/18/15/56/242181556.db2.gz UUYYRYNFKUNYNK-DPIUTZRQSA-N 0 0 347.764 4.008 50 0 EIAARN CCOc1ccc2nc(NC(=O)Nc3cccc(F)c3)sc2c1 ZINC000021525456 212228925 /nfs/dbraw/zinc/22/89/25/212228925.db2.gz TZAJNYWPPVBIEL-UHFFFAOYSA-N 0 0 331.372 4.478 50 0 EIAARN C[C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000229773414 242199398 /nfs/dbraw/zinc/19/93/98/242199398.db2.gz WDVCWHUDBXTGIM-FRIZHTMISA-N 0 0 341.430 4.257 50 0 EIAARN Cc1cc(C)c(NC(=O)CN(C)CCO[C@@H]2CCCC[C@H]2C)c(C)c1 ZINC000230197502 242247840 /nfs/dbraw/zinc/24/78/40/242247840.db2.gz VXMHYJLIVVYGJE-VQIMIIECSA-N 0 0 346.515 4.077 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)c1ccccc1Nc1ccccc1 ZINC000021292223 212219781 /nfs/dbraw/zinc/21/97/81/212219781.db2.gz 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ZINC000020998585 212198209 /nfs/dbraw/zinc/19/82/09/212198209.db2.gz QKNSMYYMLSYCFJ-HXUWFJFHSA-N 0 0 334.419 4.423 50 0 EIAARN Cc1ccccc1[C@@H](CC(=O)NCCc1ccccc1)n1cccc1 ZINC000020998699 212197788 /nfs/dbraw/zinc/19/77/88/212197788.db2.gz NQLXREYWXMXMRG-OAQYLSRUSA-N 0 0 332.447 4.135 50 0 EIAARN COc1cccc([C@H](CC(=O)Nc2ccc(F)cc2)n2cccc2)c1 ZINC000020998379 212197804 /nfs/dbraw/zinc/19/78/04/212197804.db2.gz YEHRDLNHHSRJHA-IBGZPJMESA-N 0 0 338.382 4.254 50 0 EIAARN COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)n2cccc2)cc1 ZINC000020997492 212196611 /nfs/dbraw/zinc/19/66/11/212196611.db2.gz SIWVFTJKIAVYDR-LJQANCHMSA-N 0 0 338.382 4.254 50 0 EIAARN O=C(C[C@H](c1cccs1)n1cccc1)Nc1ccc(F)cc1F ZINC000020997019 212196271 /nfs/dbraw/zinc/19/62/71/212196271.db2.gz BSHQUFDAGMFDOY-OAHLLOKOSA-N 0 0 332.375 4.446 50 0 EIAARN COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2)n2cccc2)cc1 ZINC000020997494 212196284 /nfs/dbraw/zinc/19/62/84/212196284.db2.gz SIWVFTJKIAVYDR-IBGZPJMESA-N 0 0 338.382 4.254 50 0 EIAARN COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2)n2cccc2)cc1 ZINC000020997613 212196214 /nfs/dbraw/zinc/19/62/14/212196214.db2.gz MKWJCSZPGABAFP-HXUWFJFHSA-N 0 0 334.419 4.423 50 0 EIAARN COc1cccc(NC(=O)C[C@@H](c2cccs2)n2cccc2)c1 ZINC000020996982 212196012 /nfs/dbraw/zinc/19/60/12/212196012.db2.gz HVELVVOHHFPQBL-INIZCTEOSA-N 0 0 326.421 4.176 50 0 EIAARN CCCc1ccc2oc(C(=O)NCCc3c(C)n[nH]c3C)c(C)c2c1 ZINC000020993004 212195215 /nfs/dbraw/zinc/19/52/15/212195215.db2.gz UYMQTJJNTOPTQW-UHFFFAOYSA-N 0 0 339.439 4.006 50 0 EIAARN CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@H]1C)[C@H]3[C@H]2C ZINC000239378367 242957445 /nfs/dbraw/zinc/95/74/45/242957445.db2.gz OPDBPJWZYLLHKS-SKJUGXCISA-N 0 0 344.451 4.141 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)c1ccccc1 ZINC000020890330 212181891 /nfs/dbraw/zinc/18/18/91/212181891.db2.gz SDXQRWZIUMPECF-UHFFFAOYSA-N 0 0 343.789 4.250 50 0 EIAARN COc1cccc(CN(C)C(=O)/C=C/c2c(F)cccc2Cl)c1 ZINC000020916632 212185492 /nfs/dbraw/zinc/18/54/92/212185492.db2.gz 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212169956 /nfs/dbraw/zinc/16/99/56/212169956.db2.gz KRRXFVNSYNRUCJ-CYBMUJFWSA-N 0 0 331.847 4.017 50 0 EIAARN CC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 ZINC000020549833 212146678 /nfs/dbraw/zinc/14/66/78/212146678.db2.gz BDYRFKUOMMXBGG-UHFFFAOYSA-N 0 0 340.379 4.098 50 0 EIAARN COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000020550833 212146704 /nfs/dbraw/zinc/14/67/04/212146704.db2.gz BFKMACRPIPGOOE-ZDUSSCGKSA-N 0 0 340.423 4.075 50 0 EIAARN CCCCNC(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000020582973 212150017 /nfs/dbraw/zinc/15/00/17/212150017.db2.gz SXQYFKKDRMMXSU-UHFFFAOYSA-N 0 0 341.242 4.160 50 0 EIAARN CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(C)cc3C)c21 ZINC000020575351 212149145 /nfs/dbraw/zinc/14/91/45/212149145.db2.gz XPXVYTXSBKVIRE-UHFFFAOYSA-N 0 0 325.368 4.068 50 0 EIAARN Cc1ccc2onc(CNC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000020516824 212142846 /nfs/dbraw/zinc/14/28/46/212142846.db2.gz OCKUWQMFDWAIBQ-UHFFFAOYSA-N 0 0 349.312 4.477 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c1CO2 ZINC000020509826 212141378 /nfs/dbraw/zinc/14/13/78/212141378.db2.gz CXPYDUGMWHDYSS-XJKCOSOUSA-N 0 0 340.423 4.097 50 0 EIAARN O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(C2CCC2)cc1 ZINC000252483258 243774244 /nfs/dbraw/zinc/77/42/44/243774244.db2.gz DYBXWOSDVURLJS-UHFFFAOYSA-N 0 0 348.446 4.329 50 0 EIAARN CCSCCC(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000252490762 243796784 /nfs/dbraw/zinc/79/67/84/243796784.db2.gz LAKOVHPWGDNPHI-QGZVFWFLSA-N 0 0 334.872 4.084 50 0 EIAARN O=C(C[C@H](c1ccccc1)n1cccc1)Nc1ccc(Cl)cn1 ZINC000253401726 243906367 /nfs/dbraw/zinc/90/63/67/243906367.db2.gz FUVAJSHPHSQQDC-MRXNPFEDSA-N 0 0 325.799 4.155 50 0 EIAARN CSc1cccc(NC(=O)c2noc3c2COc2ccccc2-3)c1 ZINC000020484686 212137853 /nfs/dbraw/zinc/13/78/53/212137853.db2.gz AOXKLXOUZAFNNW-UHFFFAOYSA-N 0 0 338.388 4.208 50 0 EIAARN C=C1C(Nc2cc(C)ccc2C)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020465443 212134443 /nfs/dbraw/zinc/13/44/43/212134443.db2.gz GGWWWSYRWXCNPK-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/91/88/30/216918830.db2.gz BAGAJBIYVRXLON-LJQANCHMSA-N 0 0 335.382 4.136 50 0 EIAARN FC(F)(F)c1cnc(-c2nc3c(c(Cl)n2)CCC3)c(Cl)c1 ZINC000261494972 244596344 /nfs/dbraw/zinc/59/63/44/244596344.db2.gz YWNFLZVKTWFDAA-UHFFFAOYSA-N 0 0 334.128 4.353 50 0 EIAARN COc1ccc(Br)cc1CN1CCc2ccccc2C1 ZINC000019536834 212039799 /nfs/dbraw/zinc/03/97/99/212039799.db2.gz WZWPWWLDPLFYQQ-UHFFFAOYSA-N 0 0 332.241 4.016 50 0 EIAARN C[C@H](C(=O)Nc1cccc(Oc2ncccn2)c1)c1ccsc1 ZINC000078063471 217017397 /nfs/dbraw/zinc/01/73/97/217017397.db2.gz YYVJPDGMOFHXAS-LBPRGKRZSA-N 0 0 325.393 4.073 50 0 EIAARN O=C(CCc1ccccc1O)NC(c1cccs1)c1cccs1 ZINC000078188987 217030196 /nfs/dbraw/zinc/03/01/96/217030196.db2.gz RNLRASZIYAZSBV-UHFFFAOYSA-N 0 0 343.473 4.354 50 0 EIAARN O=C(Nc1cccc(Br)c1)c1cccc2cccnc21 ZINC000019169154 212003337 /nfs/dbraw/zinc/00/33/37/212003337.db2.gz KYQQNOYQUSWKHS-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN FC(F)(F)c1cccc(CSc2nnc(-c3ccc[nH]3)o2)c1 ZINC000018364276 211994633 /nfs/dbraw/zinc/99/46/33/211994633.db2.gz NTWMHSREGLFNTN-UHFFFAOYSA-N 0 0 325.315 4.376 50 0 EIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccs2)cs1 ZINC000018235553 211992596 /nfs/dbraw/zinc/99/25/96/211992596.db2.gz XHWZYESWHDYJCQ-UHFFFAOYSA-N 0 0 326.446 4.383 50 0 EIAARN Cc1cc(C[S@](=O)[C@@H](c2ccccc2)c2ccccc2C)no1 ZINC000078394595 217046249 /nfs/dbraw/zinc/04/62/49/217046249.db2.gz VKSHHSSUMGCPBT-WMZHIEFXSA-N 0 0 325.433 4.330 50 0 EIAARN Cc1ccc(OCCNC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000078579205 217079645 /nfs/dbraw/zinc/07/96/45/217079645.db2.gz INGZIQADJVTYBC-UHFFFAOYSA-N 0 0 349.883 4.326 50 0 EIAARN O=C1CCCN1c1cccc(-c2csc(-c3cccc(O)c3)n2)c1 ZINC000078592984 217082037 /nfs/dbraw/zinc/08/20/37/217082037.db2.gz AFWYIOWGUMUPPC-UHFFFAOYSA-N 0 0 336.416 4.310 50 0 EIAARN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ccccc1C(F)(F)F ZINC000078597079 217082879 /nfs/dbraw/zinc/08/28/79/217082879.db2.gz TVQAKAWAWPHMIA-DOMZBBRYSA-N 0 0 348.368 4.073 50 0 EIAARN Cc1ccoc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000017960302 211975614 /nfs/dbraw/zinc/97/56/14/211975614.db2.gz WWKAQIDITLCVDC-UHFFFAOYSA-N 0 0 326.421 4.218 50 0 EIAARN O=c1c2ccccc2nc2sc(-c3cccc(Cl)c3Cl)nn21 ZINC000017072336 211954521 /nfs/dbraw/zinc/95/45/21/211954521.db2.gz PIZDQJWTNLQXNE-UHFFFAOYSA-N 0 0 348.214 4.278 50 0 EIAARN O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(Br)cc1 ZINC000078826182 217129691 /nfs/dbraw/zinc/12/96/91/217129691.db2.gz IWDDZAMBFVGDRV-KRWDZBQOSA-N 0 0 344.252 4.200 50 0 EIAARN CCOc1cc(CO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000017066911 211948552 /nfs/dbraw/zinc/94/85/52/211948552.db2.gz GORGJUYYNFTKSE-UHFFFAOYSA-N 0 0 327.207 4.463 50 0 EIAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCCCCC1 ZINC000016740427 211932326 /nfs/dbraw/zinc/93/23/26/211932326.db2.gz PIYSUZMMDYUTLR-UHFFFAOYSA-N 0 0 331.419 4.313 50 0 EIAARN CCCC1(C(=O)N2CCC(CN3CCc4ccccc43)CC2)CCC1 ZINC000079104537 217194121 /nfs/dbraw/zinc/19/41/21/217194121.db2.gz FBZOAYNZKNETPT-UHFFFAOYSA-N 0 0 340.511 4.258 50 0 EIAARN COCCn1cc(C(=O)Nc2cccc3c2ccn3C)c2ccccc21 ZINC000079193955 217200063 /nfs/dbraw/zinc/20/00/63/217200063.db2.gz ARJCSLGUQKXPAH-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 biogenic EIAARN Fc1c(F)c(I)c(Cl)c(F)c1Cl ZINC000263623885 245467448 /nfs/dbraw/zinc/46/74/48/245467448.db2.gz LPEUQNJEWVWHDS-UHFFFAOYSA-N 0 0 326.870 4.015 50 0 EIAARN CCOC[C@@H]1CCCN(C(=O)Nc2cccc([C@H](C)SC)c2)C1 ZINC000079306207 217205579 /nfs/dbraw/zinc/20/55/79/217205579.db2.gz XDIUHBKNPMYFPL-LSDHHAIUSA-N 0 0 336.501 4.391 50 0 EIAARN COc1ccccc1CCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000016026376 211877699 /nfs/dbraw/zinc/87/76/99/211877699.db2.gz CHDZPMWHFJUNMR-UHFFFAOYSA-N 0 0 338.432 4.390 50 0 EIAARN COc1ccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)cc1 ZINC000015839826 211860701 /nfs/dbraw/zinc/86/07/01/211860701.db2.gz NXRUZPHLAGVYCG-NRFANRHFSA-N 0 0 346.430 4.226 50 0 EIAARN C[C@H](NC(=O)/C=C\c1cccs1)c1cccc(Br)c1 ZINC000080028251 217272659 /nfs/dbraw/zinc/27/26/59/217272659.db2.gz KRJSVNGHNQFKFP-TVRMLOFPSA-N 0 0 336.254 4.401 50 0 EIAARN C/C(=C\c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000015503022 211827494 /nfs/dbraw/zinc/82/74/94/211827494.db2.gz PBCWGDQFBUCLNH-NWPMYNPFSA-N 0 0 348.446 4.163 50 0 EIAARN O=C(Oc1ccc2ccccc2c1)c1ccc2c(c1)NC(=O)CS2 ZINC000015574696 211832087 /nfs/dbraw/zinc/83/20/87/211832087.db2.gz IRORDNKLIWTDSN-UHFFFAOYSA-N 0 0 335.384 4.103 50 0 EIAARN C[S@](=O)c1ccccc1NC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000080133672 217282174 /nfs/dbraw/zinc/28/21/74/217282174.db2.gz JLDYSJZXIMBMHD-IZHWHUGBSA-N 0 0 346.452 4.166 50 0 EIAARN Cc1cc(-c2nc3ccccc3c(C)c2Cl)c(C)n1-c1nc[nH]n1 ZINC000015453932 211825674 /nfs/dbraw/zinc/82/56/74/211825674.db2.gz PCTBZGWMKWUFJB-UHFFFAOYSA-N 0 0 337.814 4.389 50 0 EIAARN c1csc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn32)c1 ZINC000080346490 217300385 /nfs/dbraw/zinc/30/03/85/217300385.db2.gz YQMCGVPIADKDMD-UHFFFAOYSA-N 0 0 342.493 4.382 50 0 EIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(F)cc1 ZINC000014687345 211753444 /nfs/dbraw/zinc/75/34/44/211753444.db2.gz CYEOAAIHWKZYCM-UHFFFAOYSA-N 0 0 333.384 4.194 50 0 EIAARN CN(Cc1cc(C2CC2)on1)C(=O)c1csc(-c2cccs2)n1 ZINC000082148036 217478828 /nfs/dbraw/zinc/47/88/28/217478828.db2.gz IXLSBPZWXOGLHX-UHFFFAOYSA-N 0 0 345.449 4.009 50 0 EIAARN FC(F)(F)c1nnc2ccc(Oc3ccc4ccccc4c3)nn21 ZINC000014205108 211712151 /nfs/dbraw/zinc/71/21/51/211712151.db2.gz XITWWNMGZZZDEB-UHFFFAOYSA-N 0 0 330.269 4.089 50 0 EIAARN O=C(CCc1ccco1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014200002 211710491 /nfs/dbraw/zinc/71/04/91/211710491.db2.gz VQZJLWMZSOLNSJ-OAHLLOKOSA-N 0 0 326.421 4.186 50 0 EIAARN Clc1ccc(-c2cc(CSc3nncn3C3CC3)on2)cc1 ZINC000014159817 211695744 /nfs/dbraw/zinc/69/57/44/211695744.db2.gz SPYMGMHLRSCMAV-UHFFFAOYSA-N 0 0 332.816 4.214 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)C1(C)C ZINC000014125215 211686480 /nfs/dbraw/zinc/68/64/80/211686480.db2.gz DBQCPIHRTPVFPN-CJNGLKHVSA-N 0 0 334.847 4.475 50 0 EIAARN CC(=O)c1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000014020428 211671081 /nfs/dbraw/zinc/67/10/81/211671081.db2.gz MQFYCFFTFIIGFQ-UHFFFAOYSA-N 0 0 342.445 4.255 50 0 EIAARN CCN(C)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC000084760787 217643301 /nfs/dbraw/zinc/64/33/01/217643301.db2.gz ILCGLJHYCIFFPH-UHFFFAOYSA-N 0 0 333.844 4.141 50 0 EIAARN O[C@@H]1COc2c(F)ccc(F)c2[C@H]1Sc1ccc(Cl)cc1 ZINC000085221450 217656473 /nfs/dbraw/zinc/65/64/73/217656473.db2.gz XYALFOHXBMXTOG-DOMZBBRYSA-N 0 0 328.767 4.205 50 0 EIAARN COc1cccc(-c2nc(C)c(C(=O)Nc3ncccc3C)s2)c1 ZINC000013691742 211612951 /nfs/dbraw/zinc/61/29/51/211612951.db2.gz ICEZVZSSZMHVLP-UHFFFAOYSA-N 0 0 339.420 4.083 50 0 EIAARN CCn1c(SCc2nc(C)c(C)s2)nnc1-c1ccccc1 ZINC000086987088 217704707 /nfs/dbraw/zinc/70/47/07/217704707.db2.gz LYLPHCDAXQNWHK-UHFFFAOYSA-N 0 0 330.482 4.331 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=S)NCCn2cc(Cl)cn2)cc1 ZINC000013519095 211569053 /nfs/dbraw/zinc/56/90/53/211569053.db2.gz QNZNHGWSZHJTKF-GFCCVEGCSA-N 0 0 336.892 4.037 50 0 EIAARN C[C@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000013494927 211568226 /nfs/dbraw/zinc/56/82/26/211568226.db2.gz CLFSLXJCEBJQLA-JTQLQIEISA-N 0 0 345.761 4.020 50 0 EIAARN Cn1c(Cc2ccc(Cl)cc2)nnc1SCc1cccc(F)c1 ZINC000013325442 211546020 /nfs/dbraw/zinc/54/60/20/211546020.db2.gz TZQIDSHSEXBZAC-UHFFFAOYSA-N 0 0 347.846 4.491 50 0 EIAARN Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccccc3F)c2cc1C ZINC000013125623 211525040 /nfs/dbraw/zinc/52/50/40/211525040.db2.gz XCDYIBXBBHXYFW-UHFFFAOYSA-N 0 0 347.393 4.196 50 0 EIAARN Cc1occc1C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000089540639 217809812 /nfs/dbraw/zinc/80/98/12/217809812.db2.gz QRFLVFYMJCEYCL-KRWDZBQOSA-N 0 0 326.783 4.156 50 0 EIAARN CSc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1 ZINC000012996260 211503307 /nfs/dbraw/zinc/50/33/07/211503307.db2.gz IILSOADWLLRZFW-UHFFFAOYSA-N 0 0 347.509 4.109 50 0 EIAARN CCc1ccccc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000012975501 211495195 /nfs/dbraw/zinc/49/51/95/211495195.db2.gz UCAZCQBVMJXYFW-FQEVSTJZSA-N 0 0 334.419 4.152 50 0 EIAARN Cc1ccc2c(C)c(CCC(=O)Nc3cccc(F)c3)c(=O)oc2c1 ZINC000012936865 211488117 /nfs/dbraw/zinc/48/81/17/211488117.db2.gz QPKWTAVMWDXNMD-UHFFFAOYSA-N 0 0 339.366 4.120 50 0 EIAARN C[C@H](Nc1nc(-c2ccsc2)nc2ccccc21)[C@@H]1CCCO1 ZINC000012929923 211486802 /nfs/dbraw/zinc/48/68/02/211486802.db2.gz YQLNPRVKGHYXJQ-LRDDRELGSA-N 0 0 325.437 4.338 50 0 EIAARN CCOCc1c2ccccc2oc1C(=O)Nc1ccc(N(C)C)cc1 ZINC000012786530 211456204 /nfs/dbraw/zinc/45/62/04/211456204.db2.gz XAVUHMBNADHBET-UHFFFAOYSA-N 0 0 338.407 4.288 50 0 EIAARN Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1C ZINC000012816615 211464202 /nfs/dbraw/zinc/46/42/02/211464202.db2.gz VQLMDSXIAQIXEA-UHFFFAOYSA-N 0 0 331.419 4.230 50 0 EIAARN C[C@H](OC(=O)c1ccc(F)cc1F)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012815251 211463929 /nfs/dbraw/zinc/46/39/29/211463929.db2.gz SNUKVOXFVYGYID-ABROSTTOSA-N 0 0 348.389 4.296 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1F ZINC000012796380 211458507 /nfs/dbraw/zinc/45/85/07/211458507.db2.gz LBXFZOCUXVMLQW-OLZOCXBDSA-N 0 0 335.806 4.432 50 0 EIAARN CCn1c(NC(=O)c2cc3c(cccc3Cl)[nH]2)nc2ccccc21 ZINC000012746744 211443711 /nfs/dbraw/zinc/44/37/11/211443711.db2.gz QXPNAPQLKYFUIH-UHFFFAOYSA-N 0 0 338.798 4.443 50 0 EIAARN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000012780253 211453861 /nfs/dbraw/zinc/45/38/61/211453861.db2.gz JLRHRXMBQHEXMX-AUUYWEPGSA-N 0 0 327.424 4.472 50 0 EIAARN COc1c(Br)cc(F)cc1NC(=O)c1cc(C)oc1C ZINC000012754431 211446519 /nfs/dbraw/zinc/44/65/19/211446519.db2.gz LZABUTFOQCQSMH-UHFFFAOYSA-N 0 0 342.164 4.059 50 0 EIAARN Cc1ccc(Sc2ncccc2C(=O)Nc2cccnc2)cc1C ZINC000012545606 211404739 /nfs/dbraw/zinc/40/47/39/211404739.db2.gz ADJZPURFPJKWBX-UHFFFAOYSA-N 0 0 335.432 4.497 50 0 EIAARN Clc1ccc2nc(COc3ccccc3Br)cn2c1 ZINC000012507063 211395389 /nfs/dbraw/zinc/39/53/89/211395389.db2.gz MMZFFVYAHXONBK-UHFFFAOYSA-N 0 0 337.604 4.329 50 0 EIAARN Cc1nc2ccccc2n1CCNc1ncnc2cc(Cl)ccc21 ZINC000012506629 211395144 /nfs/dbraw/zinc/39/51/44/211395144.db2.gz DMBBDVHSHZIMAS-UHFFFAOYSA-N 0 0 337.814 4.053 50 0 EIAARN Cc1ccccc1[C@@H](CC(=O)NCc1ccncc1)c1ccccc1 ZINC000012449416 211386955 /nfs/dbraw/zinc/38/69/55/211386955.db2.gz IYWBVZAAQQWHDP-NRFANRHFSA-N 0 0 330.431 4.228 50 0 EIAARN C/C=C\C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(C)cc2)cs1 ZINC000012441874 211383276 /nfs/dbraw/zinc/38/32/76/211383276.db2.gz JSOAYBZKPMNTSR-PLNGDYQASA-N 0 0 338.436 4.127 50 0 EIAARN O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccon1 ZINC000012439004 211381978 /nfs/dbraw/zinc/38/19/78/211381978.db2.gz QILQULRSUHVKTA-SFHVURJKSA-N 0 0 340.810 4.166 50 0 EIAARN CCc1nc(C)c(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)[nH]1 ZINC000012434036 211380649 /nfs/dbraw/zinc/38/06/49/211380649.db2.gz SUAUQXSAPOVOQH-HNNXBMFYSA-N 0 0 345.874 4.029 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)n1 ZINC000012436217 211379607 /nfs/dbraw/zinc/37/96/07/211379607.db2.gz WWIKCNRGTIBZRK-LJQANCHMSA-N 0 0 337.467 4.230 50 0 EIAARN C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C1CCOCC1 ZINC000089894403 217875456 /nfs/dbraw/zinc/87/54/56/217875456.db2.gz FSUFLMAMLOIWLS-CYBMUJFWSA-N 0 0 341.407 4.191 50 0 EIAARN O=C(Cc1cnc(-c2ccccc2F)s1)N1CCc2ccccc21 ZINC000012408412 211372074 /nfs/dbraw/zinc/37/20/74/211372074.db2.gz DCOUUZWYBPETQD-UHFFFAOYSA-N 0 0 338.407 4.081 50 0 EIAARN CCOc1ccc(-c2nc(-c3cccnc3Cl)no2)cc1OCC ZINC000012412245 211371695 /nfs/dbraw/zinc/37/16/95/211371695.db2.gz UECCMYFLPZWPRZ-UHFFFAOYSA-N 0 0 345.786 4.249 50 0 EIAARN Cc1nc(-c2ccccc2F)sc1C(=O)N1CCc2ccccc21 ZINC000012407865 211370307 /nfs/dbraw/zinc/37/03/07/211370307.db2.gz BPDWMBLHPZTBBU-UHFFFAOYSA-N 0 0 338.407 4.461 50 0 EIAARN Cc1ccsc1-c1nn2c(nnc2-c2cc(F)ccc2F)s1 ZINC000012391400 211366868 /nfs/dbraw/zinc/36/68/68/211366868.db2.gz NYPNPYNSAZVFAN-UHFFFAOYSA-N 0 0 334.376 4.168 50 0 EIAARN CC(C)Oc1ccc(Cl)cc1C(=O)N1c2ccnn2[C@@H](C)C[C@H]1C ZINC000089920359 217883688 /nfs/dbraw/zinc/88/36/88/217883688.db2.gz VMJRHIRGFHJYPM-OLZOCXBDSA-N 0 0 347.846 4.324 50 0 EIAARN Fc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn32)c1F ZINC000012388847 211365313 /nfs/dbraw/zinc/36/53/13/211365313.db2.gz DPMJRNDWQZUXDL-UHFFFAOYSA-N 0 0 348.765 4.451 50 0 EIAARN C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000012383242 211363539 /nfs/dbraw/zinc/36/35/39/211363539.db2.gz KJKARWKNWLOOHS-ZYSHUDEJSA-N 0 0 341.476 4.204 50 0 EIAARN CC(C)Sc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000012382828 211362966 /nfs/dbraw/zinc/36/29/66/211362966.db2.gz RYDAYNLYISNNTB-UHFFFAOYSA-N 0 0 347.387 4.310 50 0 EIAARN CCCCC1CCC(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000012350240 211353956 /nfs/dbraw/zinc/35/39/56/211353956.db2.gz XMZJDYUXBVTMTE-NFOMZHRRSA-N 0 0 344.455 4.341 50 0 EIAARN CCCCC(=O)Oc1ccc2cc(-c3csc(C)n3)c(=O)oc2c1 ZINC000012322167 211346136 /nfs/dbraw/zinc/34/61/36/211346136.db2.gz KRPDVRNMIPHQHQ-UHFFFAOYSA-N 0 0 343.404 4.321 50 0 EIAARN CCCCc1nc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c[nH]1 ZINC000012307282 211341240 /nfs/dbraw/zinc/34/12/40/211341240.db2.gz BJCVKFQHEBTFMQ-OAHLLOKOSA-N 0 0 348.441 4.107 50 0 EIAARN O=C(Cn1c(=O)oc2ccc(Cl)cc21)c1ccc2c(c1)CCCC2 ZINC000012375056 211358201 /nfs/dbraw/zinc/35/82/01/211358201.db2.gz RYRYOBLOSMHMBQ-UHFFFAOYSA-N 0 0 341.794 4.010 50 0 EIAARN O=S(=O)(Cc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 ZINC000012369646 211357255 /nfs/dbraw/zinc/35/72/55/211357255.db2.gz CBRMLYPZPQQJEV-UHFFFAOYSA-N 0 0 349.864 4.437 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC=C2)cc1 ZINC000012274548 211332214 /nfs/dbraw/zinc/33/22/14/211332214.db2.gz SBOZAMGSHDAKLH-UHFFFAOYSA-N 0 0 349.386 4.182 50 0 biogenic EIAARN CC(C)Oc1ccc(C(=O)NCc2cc(-c3cccs3)on2)cc1 ZINC000012235732 211326203 /nfs/dbraw/zinc/32/62/03/211326203.db2.gz BQIMANMYQDFBOH-UHFFFAOYSA-N 0 0 342.420 4.120 50 0 EIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3ccccc3)c12 ZINC000012226965 211325596 /nfs/dbraw/zinc/32/55/96/211325596.db2.gz PVRRELZEYKYDEE-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN CN(Cc1ccno1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012305691 211339740 /nfs/dbraw/zinc/33/97/40/211339740.db2.gz IPYBNZMPQCIBAW-UHFFFAOYSA-N 0 0 344.418 4.364 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000012138243 211303924 /nfs/dbraw/zinc/30/39/24/211303924.db2.gz KDXSNPOVAUJRMF-GFCCVEGCSA-N 0 0 330.815 4.121 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000012138463 211303869 /nfs/dbraw/zinc/30/38/69/211303869.db2.gz QXNGQSVUHPKZCJ-CYBMUJFWSA-N 0 0 344.842 4.050 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000012138333 211303506 /nfs/dbraw/zinc/30/35/06/211303506.db2.gz ZXEYBZQQUVPSTD-UHFFFAOYSA-N 0 0 330.815 4.260 50 0 EIAARN C[C@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1ccccc1 ZINC000012104726 211290642 /nfs/dbraw/zinc/29/06/42/211290642.db2.gz HUDBPNGDFKSPID-ZDUSSCGKSA-N 0 0 344.484 4.047 50 0 EIAARN CSc1ccc(NC(=O)c2cc(Br)ccc2O)cc1 ZINC000012038545 211283078 /nfs/dbraw/zinc/28/30/78/211283078.db2.gz SUKHZCUCQVIPMF-UHFFFAOYSA-N 0 0 338.226 4.129 50 0 EIAARN Cc1c([C@@H](C)NCc2cc(F)ccc2F)cnn1-c1cccc(F)c1 ZINC000012021226 211280418 /nfs/dbraw/zinc/28/04/18/211280418.db2.gz KZMPGTDGOXOIOP-GFCCVEGCSA-N 0 0 345.368 4.449 50 0 EIAARN Cc1c(C(=O)N(C)[C@@H](C)c2cncs2)[nH]c2c1c(C)ccc2C ZINC000091382300 218000151 /nfs/dbraw/zinc/00/01/51/218000151.db2.gz PWSJUZCNZSITTP-ZDUSSCGKSA-N 0 0 327.453 4.383 50 0 EIAARN O=C(NCCC1CCCCCCC1)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000011948394 211273909 /nfs/dbraw/zinc/27/39/09/211273909.db2.gz KMKWKULUHMEJCD-GOSISDBHSA-N 0 0 348.531 4.034 50 0 EIAARN Cc1oc(-c2ccc(F)cc2)nc1CN(C)[C@H](C)c1nccs1 ZINC000011934005 211271629 /nfs/dbraw/zinc/27/16/29/211271629.db2.gz OLKZCNWBQSKZAQ-LLVKDONJSA-N 0 0 331.416 4.439 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)c1 ZINC000011917600 211269794 /nfs/dbraw/zinc/26/97/94/211269794.db2.gz ZQIPRKWEMORZGL-ZDUSSCGKSA-N 0 0 328.412 4.231 50 0 EIAARN O=C(Nc1ccccc1Br)c1cc(-c2ccccc2)on1 ZINC000011916714 211267742 /nfs/dbraw/zinc/26/77/42/211267742.db2.gz BXUJBIGCIJIYMZ-UHFFFAOYSA-N 0 0 343.180 4.356 50 0 EIAARN CC(C)Cc1cc(C(=O)NCC2(c3ccccc3F)CCCC2)on1 ZINC000091475569 218011897 /nfs/dbraw/zinc/01/18/97/218011897.db2.gz JFNFBMRXRHEONB-UHFFFAOYSA-N 0 0 344.430 4.254 50 0 EIAARN O=c1[nH]c(Nc2ccc(Cl)c(C(F)(F)F)c2)nc2c1CCCC2 ZINC000011903447 211265116 /nfs/dbraw/zinc/26/51/16/211265116.db2.gz NXZNJXCMMHZHRF-UHFFFAOYSA-N 0 0 343.736 4.065 50 0 EIAARN CCCc1nc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)cs1 ZINC000091526230 218018178 /nfs/dbraw/zinc/01/81/78/218018178.db2.gz KECKGJQEFCKYPL-GFCCVEGCSA-N 0 0 334.872 4.379 50 0 EIAARN COc1ccc2ccc(OC(=O)/C=C/c3csc(C)n3)cc2c1 ZINC000011806046 211248116 /nfs/dbraw/zinc/24/81/16/211248116.db2.gz FEZVBHABVZBXQT-VMPITWQZSA-N 0 0 325.389 4.232 50 0 EIAARN COc1ccccc1Cn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1N ZINC000011692091 211236103 /nfs/dbraw/zinc/23/61/03/211236103.db2.gz AUPYMSBCBQTTIU-UHFFFAOYSA-N 0 0 346.434 4.287 50 0 EIAARN c1cn(CC2CCC2)c(C2CCN(c3cnc4ccccc4n3)CC2)n1 ZINC000091725088 218055015 /nfs/dbraw/zinc/05/50/15/218055015.db2.gz MLMBJCRBPBPQLQ-UHFFFAOYSA-N 0 0 347.466 4.010 50 0 EIAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1c(C)cccc1C ZINC000011690641 211234762 /nfs/dbraw/zinc/23/47/62/211234762.db2.gz YXEMIHLOYSFGTP-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN CCN(C/C=C/c1ccccc1)C(=O)c1cccc(Cn2cccn2)c1 ZINC000091769042 218062322 /nfs/dbraw/zinc/06/23/22/218062322.db2.gz MDCUMZJKFGXYCF-KPKJPENVSA-N 0 0 345.446 4.107 50 0 EIAARN CCCCCOc1ccc(S(=O)(=O)NCCC)c2ccccc12 ZINC000011614148 211226691 /nfs/dbraw/zinc/22/66/91/211226691.db2.gz RBYZBVUBXYWYEZ-UHFFFAOYSA-N 0 0 335.469 4.097 50 0 EIAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](C)CC ZINC000011614079 211226440 /nfs/dbraw/zinc/22/64/40/211226440.db2.gz BNZYWQPZYNVCFU-ZDUSSCGKSA-N 0 0 347.908 4.294 50 0 EIAARN c1c(CNc2ncccn2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000011607222 211225017 /nfs/dbraw/zinc/22/50/17/211225017.db2.gz IVADNHGCKDYLSN-UHFFFAOYSA-N 0 0 341.418 4.001 50 0 EIAARN CCC[C@H](NC(=O)[C@@H](C)Sc1nccn1CC)c1ccccc1 ZINC000011605684 211224845 /nfs/dbraw/zinc/22/48/45/211224845.db2.gz BVWUNRLHANITHJ-ZBFHGGJFSA-N 0 0 331.485 4.041 50 0 EIAARN CCN(c1ccc(NC(=O)/C=C/c2csc(C)n2)cc1)C(C)C ZINC000011330072 211212191 /nfs/dbraw/zinc/21/21/91/211212191.db2.gz RBOYKBZELYXWHF-DHZHZOJOSA-N 0 0 329.469 4.338 50 0 EIAARN CC[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(C)cc1 ZINC000011266537 211210326 /nfs/dbraw/zinc/21/03/26/211210326.db2.gz HWWVDTCGWMCXKM-PMACEKPBSA-N 0 0 340.442 4.195 50 0 EIAARN O=C(NCCCc1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl ZINC000011484755 211220082 /nfs/dbraw/zinc/22/00/82/211220082.db2.gz QCMQNPMKKDZNEO-UHFFFAOYSA-N 0 0 348.233 4.232 50 0 EIAARN C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc21 ZINC000011476817 211218003 /nfs/dbraw/zinc/21/80/03/211218003.db2.gz TUBJHHIQJPKEIH-ZDUSSCGKSA-N 0 0 348.431 4.112 50 0 EIAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC1CCCCCC1 ZINC000011430137 211216805 /nfs/dbraw/zinc/21/68/05/211216805.db2.gz LUUMBGHMOLGKEZ-UHFFFAOYSA-N 0 0 348.393 4.391 50 0 EIAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)cc1F ZINC000011373040 211214901 /nfs/dbraw/zinc/21/49/01/211214901.db2.gz BWMWZTXRKZGPBH-UHFFFAOYSA-N 0 0 346.308 4.330 50 0 EIAARN Cc1c([C@H](C)NC(=O)c2sccc2Cl)cnn1-c1ccccc1 ZINC000091906663 218086976 /nfs/dbraw/zinc/08/69/76/218086976.db2.gz IRJNEBYFBOSRRR-NSHDSACASA-N 0 0 345.855 4.387 50 0 EIAARN COc1ccc(Cl)cc1NCc1nc(-c2ccccc2OC)no1 ZINC000011125292 211204120 /nfs/dbraw/zinc/20/41/20/211204120.db2.gz FIGQUEVRQLBIFA-UHFFFAOYSA-N 0 0 345.786 4.019 50 0 EIAARN Cc1ccc(C)c(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 ZINC000011052498 211202284 /nfs/dbraw/zinc/20/22/84/211202284.db2.gz NGRCKEFQYIICNQ-HNNXBMFYSA-N 0 0 337.419 4.319 50 0 EIAARN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)c2c1[C@H](C)CC2=O ZINC000011052479 211201836 /nfs/dbraw/zinc/20/18/36/211201836.db2.gz FPBKGYTZXTVAMQ-GFCCVEGCSA-N 0 0 343.810 4.356 50 0 EIAARN CCOc1ccc(CC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000010963713 211198018 /nfs/dbraw/zinc/19/80/18/211198018.db2.gz QIJVSBNEEZMEQV-KRWDZBQOSA-N 0 0 345.439 4.120 50 0 EIAARN CC[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(C)no1 ZINC000092037175 218107783 /nfs/dbraw/zinc/10/77/83/218107783.db2.gz NPAHONVGQVWPBP-ZDUSSCGKSA-N 0 0 345.786 4.173 50 0 EIAARN CSc1ccccc1NC(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000010958380 211195741 /nfs/dbraw/zinc/19/57/41/211195741.db2.gz CIAOCAMJWVQXJJ-UHFFFAOYSA-N 0 0 340.452 4.295 50 0 EIAARN CCOC(=O)Nc1ccc(C(=O)Nc2cccc3cccnc32)cc1 ZINC000010914196 211195308 /nfs/dbraw/zinc/19/53/08/211195308.db2.gz QBYXFXWNYLIYPQ-UHFFFAOYSA-N 0 0 335.363 4.056 50 0 EIAARN O=C(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000010893705 211195092 /nfs/dbraw/zinc/19/50/92/211195092.db2.gz CYCZVWKSDRCIPH-UHFFFAOYSA-N 0 0 328.824 4.394 50 0 EIAARN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000011218000 211208279 /nfs/dbraw/zinc/20/82/79/211208279.db2.gz XXPZMIDMEJXTEW-CABCVRRESA-N 0 0 342.405 4.213 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000011206826 211207334 /nfs/dbraw/zinc/20/73/34/211207334.db2.gz HXDXLAWJPRYBAQ-UGSOOPFHSA-N 0 0 329.827 4.375 50 0 EIAARN COc1ccc2c(cc(C(=O)N3CCC[C@H]3c3ccccc3C)n2C)c1 ZINC000091951991 218094489 /nfs/dbraw/zinc/09/44/89/218094489.db2.gz RARWLLJSBBGFSY-FQEVSTJZSA-N 0 0 348.446 4.473 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000011206850 211206413 /nfs/dbraw/zinc/20/64/13/211206413.db2.gz HXDXLAWJPRYBAQ-ACJLOTCBSA-N 0 0 329.827 4.375 50 0 EIAARN CCN1c2ccc(NC(=O)c3ccc4ccccc4c3)cc2CC1=O ZINC000010825562 211191824 /nfs/dbraw/zinc/19/18/24/211191824.db2.gz YBBBAKPQRYHNJN-UHFFFAOYSA-N 0 0 330.387 4.001 50 0 EIAARN O=C(Nc1cccc2cccnc21)c1ccc(Br)s1 ZINC000010782798 211189882 /nfs/dbraw/zinc/18/98/82/211189882.db2.gz HTUHTYNBZOOHPO-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN CCn1nc(C(C)C)cc1C(=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC000092107736 218120950 /nfs/dbraw/zinc/12/09/50/218120950.db2.gz FEJZEFQBHNUTEG-UHFFFAOYSA-N 0 0 349.478 4.227 50 0 EIAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000092163338 218123381 /nfs/dbraw/zinc/12/33/81/218123381.db2.gz DPYVIGSJZGTAEZ-IBGZPJMESA-N 0 0 338.407 4.094 50 0 EIAARN Cc1ccc([C@@H](NS(=O)(=O)c2ccccc2Cl)C2CC2)cc1 ZINC000010682736 211185740 /nfs/dbraw/zinc/18/57/40/211185740.db2.gz BQTDGXFNRZFEMA-QGZVFWFLSA-N 0 0 335.856 4.078 50 0 EIAARN Nn1cc(-c2ccccc2)nc1SCc1cccc2cccnc21 ZINC000010618684 211182887 /nfs/dbraw/zinc/18/28/87/211182887.db2.gz UZMFETPCKICNHO-UHFFFAOYSA-N 0 0 332.432 4.104 50 0 EIAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(C(C)C)cs1 ZINC000010636812 211182667 /nfs/dbraw/zinc/18/26/67/211182667.db2.gz KQXMZNPPBAIGTI-UHFFFAOYSA-N 0 0 327.409 4.482 50 0 EIAARN Cc1[nH]c2c(cccc2F)c1CC(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000092062100 218111382 /nfs/dbraw/zinc/11/13/82/218111382.db2.gz GOVFMOYOYRJCFF-GOSISDBHSA-N 0 0 340.373 4.271 50 0 EIAARN Cc1[nH]c2c(cccc2F)c1CC(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000092062101 218111400 /nfs/dbraw/zinc/11/14/00/218111400.db2.gz GOVFMOYOYRJCFF-SFHVURJKSA-N 0 0 340.373 4.271 50 0 EIAARN Cc1nnc([C@@H]2Cc3ccccc3CN2C/C=C/c2ccc(F)cc2)o1 ZINC000092355856 218136160 /nfs/dbraw/zinc/13/61/60/218136160.db2.gz NZAAHWBYAOWZOL-SGSXCFNPSA-N 0 0 349.409 4.330 50 0 EIAARN CCO[P@](=O)(CC1(O)CCCCC1)c1cccc2ccccc21 ZINC000010494711 211176944 /nfs/dbraw/zinc/17/69/44/211176944.db2.gz PZTWOLBSLNTCBE-HSZRJFAPSA-N 0 0 332.380 4.475 50 0 EIAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010503780 211176663 /nfs/dbraw/zinc/17/66/63/211176663.db2.gz ACKRLWJRMREWKX-AWEZNQCLSA-N 0 0 339.826 4.236 50 0 EIAARN CC1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000010460650 211173894 /nfs/dbraw/zinc/17/38/94/211173894.db2.gz OLSQCYLKGPHVAT-UHFFFAOYSA-N 0 0 337.423 4.203 50 0 EIAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)c1 ZINC000010410451 211171693 /nfs/dbraw/zinc/17/16/93/211171693.db2.gz RBZUWXIXHGQAML-KRWDZBQOSA-N 0 0 332.350 4.342 50 0 EIAARN CCSc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000010252434 211157635 /nfs/dbraw/zinc/15/76/35/211157635.db2.gz FPNUWCRZDVGMQN-UHFFFAOYSA-N 0 0 332.494 4.315 50 0 EIAARN COc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(C)c2C)c1 ZINC000010225799 211155719 /nfs/dbraw/zinc/15/57/19/211155719.db2.gz ILAXNRVQDZGWFS-HXUWFJFHSA-N 0 0 338.451 4.088 50 0 EIAARN Cc1ccc(Cn2c(CO)cnc2SCc2ccccc2F)cc1 ZINC000010336307 211166367 /nfs/dbraw/zinc/16/63/67/211166367.db2.gz IYTCQLDTQSXUOQ-UHFFFAOYSA-N 0 0 342.439 4.164 50 0 EIAARN O=C(Nc1cc(Cl)ccc1F)c1ccc(NC(=O)C2CC2)s1 ZINC000010136910 211150656 /nfs/dbraw/zinc/15/06/56/211150656.db2.gz QBSIJKKCBHBKBC-UHFFFAOYSA-N 0 0 338.791 4.141 50 0 EIAARN Cc1noc2nc(C)cc(C(=O)Nc3nc4ccc(C)cc4s3)c12 ZINC000010030362 211144219 /nfs/dbraw/zinc/14/42/19/211144219.db2.gz IWNUJLIPWPSFFF-UHFFFAOYSA-N 0 0 338.392 4.010 50 0 EIAARN FC(F)n1ccnc1CSc1nc(C2CC2)nc2ccccc21 ZINC000010196515 211153788 /nfs/dbraw/zinc/15/37/88/211153788.db2.gz GQOBQIGIEVXYFY-UHFFFAOYSA-N 0 0 332.379 4.391 50 0 EIAARN Cc1csc(N(C(=O)Cc2cccc(F)c2)c2ccccc2)n1 ZINC000010213166 211152880 /nfs/dbraw/zinc/15/28/80/211152880.db2.gz VSHRDXIIIVETJL-UHFFFAOYSA-N 0 0 326.396 4.498 50 0 EIAARN Cc1cccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 ZINC000010213714 211153024 /nfs/dbraw/zinc/15/30/24/211153024.db2.gz UYTQHQBFMUWKQC-UHFFFAOYSA-N 0 0 346.438 4.267 50 0 EIAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(-n2cccc2)c1 ZINC000009897617 211132110 /nfs/dbraw/zinc/13/21/10/211132110.db2.gz MJFUXAIDIKMSPD-UHFFFAOYSA-N 0 0 345.402 4.078 50 0 EIAARN CCOc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000009901833 211131860 /nfs/dbraw/zinc/13/18/60/211131860.db2.gz PODDDGPZLIMTJU-FMIVXFBMSA-N 0 0 346.430 4.165 50 0 EIAARN C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1cccs1 ZINC000009690700 211115574 /nfs/dbraw/zinc/11/55/74/211115574.db2.gz QIVPTSOTFJNAHB-JTQLQIEISA-N 0 0 334.491 4.353 50 0 EIAARN Cc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1 ZINC000009836364 211127458 /nfs/dbraw/zinc/12/74/58/211127458.db2.gz ZCISSXDHYAZOPP-UHFFFAOYSA-N 0 0 337.448 4.350 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)CSC(C)(C)C ZINC000009796213 211124534 /nfs/dbraw/zinc/12/45/34/211124534.db2.gz ORMDHGHWCXIUPK-UHFFFAOYSA-N 0 0 337.485 4.132 50 0 EIAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc2ccccc2o1 ZINC000009755691 211122905 /nfs/dbraw/zinc/12/29/05/211122905.db2.gz GZXIWOBGMORPBS-GFCCVEGCSA-N 0 0 344.411 4.279 50 0 EIAARN Cc1cccc(Cn2cccc2CNC(=O)Nc2cccc(C)c2)c1 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AZTMRNUPWGXLIM-UHFFFAOYSA-N 0 0 342.826 4.267 50 0 EIAARN c1csc(-c2nnc3sc(CCCc4ccccc4)nn32)c1 ZINC000004939199 210330157 /nfs/dbraw/zinc/33/01/57/210330157.db2.gz ODBPIERZPUGMHS-UHFFFAOYSA-N 0 0 326.450 4.090 50 0 EIAARN CC[C@@H](c1nn2c(nnc2-c2cccs2)s1)c1ccccc1 ZINC000004939195 210329116 /nfs/dbraw/zinc/32/91/16/210329116.db2.gz ODFXNYIMNBBYHF-GFCCVEGCSA-N 0 0 326.450 4.456 50 0 EIAARN Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1)C2=O ZINC000004928721 210327633 /nfs/dbraw/zinc/32/76/33/210327633.db2.gz NLKDPOSFRMMDOO-SFHVURJKSA-N 0 0 337.810 4.430 50 0 EIAARN Cc1sc(N)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000004933383 210327325 /nfs/dbraw/zinc/32/73/25/210327325.db2.gz APOWOPPDDNYYGM-UHFFFAOYSA-N 0 0 349.459 4.212 50 0 EIAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000000036287 208554360 /nfs/dbraw/zinc/55/43/60/208554360.db2.gz ANKXDSLWSFYJSK-UZUQRXQVSA-N 0 0 343.426 4.291 50 0 EIAARN O=C(Cc1ccccc1F)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000003483558 208557805 /nfs/dbraw/zinc/55/78/05/208557805.db2.gz MWJMKXSLVREXLU-UHFFFAOYSA-N 0 0 330.359 4.270 50 0 EIAARN COc1cc2nc(=S)[nH]c(NCc3ccc(C)cc3)c2cc1OC ZINC000004918886 210323565 /nfs/dbraw/zinc/32/35/65/210323565.db2.gz RQFVJOQGGFLVBL-UHFFFAOYSA-N 0 0 341.436 4.230 50 0 EIAARN CC(=O)c1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccccn2)cc1 ZINC000004916315 210323167 /nfs/dbraw/zinc/32/31/67/210323167.db2.gz FVHQBUFUMPXDQN-FQEVSTJZSA-N 0 0 343.386 4.055 50 0 EIAARN Cc1occc1-c1nnc(SCCOc2ccccc2Cl)n1C ZINC000004947646 210335898 /nfs/dbraw/zinc/33/58/98/210335898.db2.gz HRYCIBTTXMCOOC-UHFFFAOYSA-N 0 0 349.843 4.208 50 0 EIAARN Cc1cccc(C)c1NC(=O)COC(=O)Cc1cccc2ccccc21 ZINC000003508258 208562740 /nfs/dbraw/zinc/56/27/40/208562740.db2.gz STDOJWNLKWFIBT-UHFFFAOYSA-N 0 0 347.414 4.181 50 0 EIAARN CC[C@H](C)Cc1c(C)sc2[nH]c(CNc3ccccc3)nc(=O)c12 ZINC000007002410 208569407 /nfs/dbraw/zinc/56/94/07/208569407.db2.gz DKUDKQPUGGEEEW-LBPRGKRZSA-N 0 0 341.480 4.494 50 0 EIAARN O=C1c2ccccc2[C@H](Nc2cc(F)ccc2F)N1c1cccnc1 ZINC000004917724 210321900 /nfs/dbraw/zinc/32/19/00/210321900.db2.gz OLIUGPVCNITTKB-GOSISDBHSA-N 0 0 337.329 4.131 50 0 EIAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)cc1C ZINC000004917532 210322032 /nfs/dbraw/zinc/32/20/32/210322032.db2.gz MLIJIQWDSCVXHY-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004911261 210321554 /nfs/dbraw/zinc/32/15/54/210321554.db2.gz CNFQYFODRVTGCX-GOSISDBHSA-N 0 0 347.462 4.005 50 0 EIAARN CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 ZINC000004912052 210320990 /nfs/dbraw/zinc/32/09/90/210320990.db2.gz NDCBMQWFBWYBLK-CYBMUJFWSA-N 0 0 329.396 4.176 50 0 aggregator EIAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccncc2)N3)C1 ZINC000004913726 210320656 /nfs/dbraw/zinc/32/06/56/210320656.db2.gz ISIBJCIQXCPWSD-WBMJQRKESA-N 0 0 341.480 4.148 50 0 EIAARN CCCCN(CC)C(=O)c1cc2cc3ccc(OC)cc3nc2o1 ZINC000004908058 210319275 /nfs/dbraw/zinc/31/92/75/210319275.db2.gz YSGUJGZBYSEYPJ-UHFFFAOYSA-N 0 0 326.396 4.252 50 0 EIAARN COc1ccc(NC(=S)NCCc2c(C)[nH]c3ccccc32)cc1 ZINC000004904766 210318174 /nfs/dbraw/zinc/31/81/74/210318174.db2.gz KSKFHWZFCFGNOW-UHFFFAOYSA-N 0 0 339.464 4.014 50 0 EIAARN COc1cccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1OC ZINC000004894092 210314824 /nfs/dbraw/zinc/31/48/24/210314824.db2.gz LJPNUJTXERWOMC-UHFFFAOYSA-N 0 0 343.467 4.040 50 0 EIAARN Cc1ccc([C@@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1 ZINC000004854557 210302353 /nfs/dbraw/zinc/30/23/53/210302353.db2.gz DRJDHLHEVJWEKJ-OAQYLSRUSA-N 0 0 345.446 4.111 50 0 EIAARN Cc1ccc(CC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 ZINC000004851174 210299580 /nfs/dbraw/zinc/29/95/80/210299580.db2.gz CKVAVXPXWSLKCY-UHFFFAOYSA-N 0 0 349.434 4.025 50 0 EIAARN Cc1ccc(-c2noc(CN(C(=O)c3cccc(C)c3)C(C)C)n2)cc1 ZINC000004850831 210299126 /nfs/dbraw/zinc/29/91/26/210299126.db2.gz PYYSMWPHYQOSOM-UHFFFAOYSA-N 0 0 349.434 4.404 50 0 EIAARN CC[C@H](C)N(Cc1ccccc1F)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000097243684 219004432 /nfs/dbraw/zinc/00/44/32/219004432.db2.gz DQMWKYWIRCISGK-JTQLQIEISA-N 0 0 343.324 4.009 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 ZINC000004866644 210306717 /nfs/dbraw/zinc/30/67/17/210306717.db2.gz KDGAANSFHPBMOJ-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN CCCCc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 ZINC000004863534 210305804 /nfs/dbraw/zinc/30/58/04/210305804.db2.gz RQJHOEDAGSLRAT-UHFFFAOYSA-N 0 0 331.456 4.481 50 0 EIAARN Clc1ccccc1CCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000097284830 219007741 /nfs/dbraw/zinc/00/77/41/219007741.db2.gz WAOMTGFQTISZAX-TWGQIWQCSA-N 0 0 340.898 4.214 50 0 EIAARN Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1 ZINC000004843300 210297378 /nfs/dbraw/zinc/29/73/78/210297378.db2.gz HRDVKHXJOXBLST-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 ZINC000004839861 210295263 /nfs/dbraw/zinc/29/52/63/210295263.db2.gz ZMTATFRVBYWISR-CYBMUJFWSA-N 0 0 328.437 4.073 50 0 EIAARN COc1ccc(CNc2nc3ccc(C)cc3s2)c(OC)c1OC ZINC000004841135 210295061 /nfs/dbraw/zinc/29/50/61/210295061.db2.gz NKOQVIPWGRFBHI-UHFFFAOYSA-N 0 0 344.436 4.243 50 0 EIAARN COc1ccccc1Cc1nc(-c2cccc(Br)c2)no1 ZINC000004838123 210293276 /nfs/dbraw/zinc/29/32/76/210293276.db2.gz UCMCHHDCJJSHKG-UHFFFAOYSA-N 0 0 345.196 4.099 50 0 EIAARN C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC1CCCC1 ZINC000004826063 210289643 /nfs/dbraw/zinc/28/96/43/210289643.db2.gz ZFUALVLXAUYWAK-VIFPVBQESA-N 0 0 340.901 4.489 50 0 EIAARN CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 ZINC000004814993 210284332 /nfs/dbraw/zinc/28/43/32/210284332.db2.gz WBRYXGGTCDIRTB-RTBURBONSA-N 0 0 346.434 4.002 50 0 EIAARN CC(C)N(C(=O)Cn1c2ccccc2nc1C1CC1)c1ccccc1 ZINC000004810286 210283012 /nfs/dbraw/zinc/28/30/12/210283012.db2.gz GKSDVCURGKUFDB-UHFFFAOYSA-N 0 0 333.435 4.355 50 0 EIAARN Cc1cccc2c(C)cc(S[C@H](C)C(=O)NCc3ccco3)nc12 ZINC000004801460 210280671 /nfs/dbraw/zinc/28/06/71/210280671.db2.gz XTZRQCURJMXQQR-CQSZACIVSA-N 0 0 340.448 4.242 50 0 EIAARN Cc1cccc2c(C)cc(S[C@@H](C)C(=O)NCc3ccco3)nc12 ZINC000004801459 210280257 /nfs/dbraw/zinc/28/02/57/210280257.db2.gz XTZRQCURJMXQQR-AWEZNQCLSA-N 0 0 340.448 4.242 50 0 EIAARN O=C(NC1CCCC1)c1c2c(sc1NC(=O)C1CCC1)CCCC2 ZINC000004750392 210270581 /nfs/dbraw/zinc/27/05/81/210270581.db2.gz PQGXALYIGFTPQO-UHFFFAOYSA-N 0 0 346.496 4.038 50 0 EIAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(C)cc3)c12 ZINC000004749076 210268368 /nfs/dbraw/zinc/26/83/68/210268368.db2.gz UGSRUDWOCJSXFD-UHFFFAOYSA-N 0 0 336.387 4.234 50 0 EIAARN O=Cc1cc(Cl)ccc1OCc1cccc(Br)c1 ZINC000002558308 209866502 /nfs/dbraw/zinc/86/65/02/209866502.db2.gz DWWGUKXEGWKCRU-UHFFFAOYSA-N 0 0 325.589 4.494 50 0 EIAARN CSCC[C@H](C(=O)N1CCC(c2ccccc2)CC1)n1cccc1 ZINC000263587122 257841707 /nfs/dbraw/zinc/84/17/07/257841707.db2.gz CKTXLMLKYZOGDB-LJQANCHMSA-N 0 0 342.508 4.189 50 0 EIAARN COC(=O)c1ccccc1Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000011906965 257859931 /nfs/dbraw/zinc/85/99/31/257859931.db2.gz UHYHDIKNFKKRLR-UHFFFAOYSA-N 0 0 347.296 4.179 50 0 EIAARN C[C@@H](NC(=O)CSc1cc(-c2ccccc2)ncn1)c1ccccc1 ZINC000011903053 257951346 /nfs/dbraw/zinc/95/13/46/257951346.db2.gz KCDBWBHFQXPVAJ-OAHLLOKOSA-N 0 0 349.459 4.113 50 0 EIAARN O=C(c1ccc(Cl)s1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176224203 257954609 /nfs/dbraw/zinc/95/46/09/257954609.db2.gz BDBDIFWJGBUZGN-MNOVXSKESA-N 0 0 341.885 4.191 50 0 EIAARN O=C(c1cc2ccccc2o1)N(c1cccc(F)c1)C1CCOCC1 ZINC000150973497 257956592 /nfs/dbraw/zinc/95/65/92/257956592.db2.gz CDPQMPOXIGJKAV-UHFFFAOYSA-N 0 0 339.366 4.398 50 0 EIAARN CCCc1occc1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000281438430 257937125 /nfs/dbraw/zinc/93/71/25/257937125.db2.gz RYFVOYSESMSDSA-LPHOPBHVSA-N 0 0 345.414 4.364 50 0 EIAARN O=C(C[C@H]1CCCN1C(=O)CCc1ccsc1)c1cccs1 ZINC000267497368 257943163 /nfs/dbraw/zinc/94/31/63/257943163.db2.gz FZTMXXDCLSKHRJ-CQSZACIVSA-N 0 0 333.478 4.006 50 0 EIAARN CC(C)c1[nH]ccc1C(=O)N(C)Cc1ccc(Br)s1 ZINC000328591292 258044223 /nfs/dbraw/zinc/04/42/23/258044223.db2.gz NYRQVQPIFCOQMG-UHFFFAOYSA-N 0 0 341.274 4.234 50 0 EIAARN COc1ccc(CNC(=O)Cc2cn(C(C)C)c3ccccc23)cc1 ZINC000334160577 258016683 /nfs/dbraw/zinc/01/66/83/258016683.db2.gz HVJBMOHLKCGXGH-UHFFFAOYSA-N 0 0 336.435 4.090 50 0 EIAARN CCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(-c2cscn2)c1 ZINC000299773019 258084720 /nfs/dbraw/zinc/08/47/20/258084720.db2.gz CEZYDXCPFUZBAN-INIZCTEOSA-N 0 0 345.468 4.233 50 0 EIAARN Cc1cc(NC(=O)NCCCC[C@H]2CCCO2)c(Cl)cc1F ZINC000299787962 258094372 /nfs/dbraw/zinc/09/43/72/258094372.db2.gz UYRVMWOOEGVRDX-LBPRGKRZSA-N 0 0 328.815 4.258 50 0 EIAARN Cc1ccccc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000000455761 258048367 /nfs/dbraw/zinc/04/83/67/258048367.db2.gz CYJDRUUFQGGBOA-DHZHZOJOSA-N 0 0 330.840 4.175 50 0 EIAARN O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCCC1 ZINC000000465522 258048541 /nfs/dbraw/zinc/04/85/41/258048541.db2.gz SOXJBLXQWWCTNT-UHFFFAOYSA-N 0 0 335.856 4.182 50 0 EIAARN O=C1Oc2ccccc2[C@@H]2ON=C(c3c(Cl)cccc3Cl)[C@H]12 ZINC000001386060 258049009 /nfs/dbraw/zinc/04/90/09/258049009.db2.gz PYWVDDLPQZNQMF-ZFWWWQNUSA-N 0 0 334.158 4.004 50 0 EIAARN O=C(Nc1ccc(C2CCCCC2)cc1)C(=O)NC1CCCCC1 ZINC000002534497 258049789 /nfs/dbraw/zinc/04/97/89/258049789.db2.gz AWDZUPPZFVLRJP-UHFFFAOYSA-N 0 0 328.456 4.122 50 0 EIAARN CCCOc1cccc(C(=O)NC(=S)Nc2cc(C)ccc2C)c1 ZINC000002998736 258050345 /nfs/dbraw/zinc/05/03/45/258050345.db2.gz QRESHXWHCDIUPD-UHFFFAOYSA-N 0 0 342.464 4.219 50 0 EIAARN CN(Cc1cccc(Cl)c1)Cn1nc(-c2ccco2)oc1=S ZINC000003353326 258050565 /nfs/dbraw/zinc/05/05/65/258050565.db2.gz MSQVUBKOTGFGEX-UHFFFAOYSA-N 0 0 335.816 4.208 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(Cl)cc2Cl)c1C ZINC000003353693 258050596 /nfs/dbraw/zinc/05/05/96/258050596.db2.gz BKNYPWFALKTMLT-UHFFFAOYSA-N 0 0 339.222 4.071 50 0 EIAARN Cc1ccc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)c(Cl)c1 ZINC000006932201 258052381 /nfs/dbraw/zinc/05/23/81/258052381.db2.gz ADIXXZRCENEFAG-UHFFFAOYSA-N 0 0 341.798 4.144 50 0 EIAARN CCc1nnc(CSc2nnc(Nc3ccc(CC)cc3)s2)o1 ZINC000009368286 258054059 /nfs/dbraw/zinc/05/40/59/258054059.db2.gz MMPNQWACEGOVRG-UHFFFAOYSA-N 0 0 347.469 4.082 50 0 EIAARN O=C(NCc1ccccc1Cl)c1c[nH]c(=S)n1-c1ccccc1 ZINC000012534488 258054461 /nfs/dbraw/zinc/05/44/61/258054461.db2.gz NGBOIUJYBGUDQU-UHFFFAOYSA-N 0 0 343.839 4.118 50 0 EIAARN CCOc1cccc2cc(-c3nc(-c4ccc(C)cc4)no3)c(=O)oc21 ZINC000012879964 258055637 /nfs/dbraw/zinc/05/56/37/258055637.db2.gz NLVXXQBUBNGTBO-UHFFFAOYSA-N 0 0 348.358 4.217 50 0 EIAARN Cc1cc2ccccc2n1CC(=O)OCc1coc(-c2ccccc2)n1 ZINC000025191063 258057700 /nfs/dbraw/zinc/05/77/00/258057700.db2.gz NEHMKBQSHXXSMY-UHFFFAOYSA-N 0 0 346.386 4.348 50 0 EIAARN C[C@H]1c2cccn2CCN1C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000043012742 258059917 /nfs/dbraw/zinc/05/99/17/258059917.db2.gz NEAATDCGAPOZPI-INIZCTEOSA-N 0 0 349.434 4.069 50 0 EIAARN CCc1sc(C(=O)Nc2cc(-c3nnco3)ccc2C)cc1C ZINC000047320688 258060598 /nfs/dbraw/zinc/06/05/98/258060598.db2.gz ZWARLXSNQXZWLN-UHFFFAOYSA-N 0 0 327.409 4.230 50 0 EIAARN O=C(NCC[C@H]1CCOC1)c1cccc(-c2cncc3ccccc32)c1 ZINC000299755812 258074048 /nfs/dbraw/zinc/07/40/48/258074048.db2.gz DDSCTCQAEBQXPU-INIZCTEOSA-N 0 0 346.430 4.058 50 0 EIAARN Cc1cc(-c2cccc(C(=O)N(C)C3CCSCC3)c2)ccn1 ZINC000299762906 258079146 /nfs/dbraw/zinc/07/91/46/258079146.db2.gz DBOKACYUBBFQSL-UHFFFAOYSA-N 0 0 326.465 4.025 50 0 EIAARN Cc1ccccc1N1CCN(Cc2cccc(Br)c2)CC1 ZINC000055543919 132196186 /nfs/dbraw/zinc/19/61/86/132196186.db2.gz MFWPZENZOVIKID-UHFFFAOYSA-N 0 0 345.284 4.080 50 0 EIAARN C[C@H]1C(=O)N(c2cccc3ccccc32)CCN1Cc1ccccc1 ZINC000037520290 132394973 /nfs/dbraw/zinc/39/49/73/132394973.db2.gz IMFPRXPAMJHQNF-KRWDZBQOSA-N 0 0 330.431 4.077 50 0 EIAARN O=C(c1cc(F)cc(F)c1)N1CCSc2ccc(Cl)cc21 ZINC000040071155 132398457 /nfs/dbraw/zinc/39/84/57/132398457.db2.gz QPEGRAXXQJBFMF-UHFFFAOYSA-N 0 0 325.767 4.371 50 0 EIAARN O=C(c1cc(F)c(F)cc1Cl)N1CCCc2ccc(F)cc21 ZINC000040117185 132399231 /nfs/dbraw/zinc/39/92/31/132399231.db2.gz UXYIRQVRNBKZSC-UHFFFAOYSA-N 0 0 325.717 4.350 50 0 EIAARN O=C(c1ccc(Oc2ccccc2)nc1)N1CCCc2ccccc21 ZINC000040140062 132399340 /nfs/dbraw/zinc/39/93/40/132399340.db2.gz BAOWBXAIVGKPLN-UHFFFAOYSA-N 0 0 330.387 4.467 50 0 EIAARN O=C1c2ccccc2N[C@H](c2cn3ccccc3n2)N1c1ccccc1 ZINC000058166329 132803329 /nfs/dbraw/zinc/80/33/29/132803329.db2.gz DENOCIFHVLYTRZ-FQEVSTJZSA-N 0 0 340.386 4.105 50 0 EIAARN C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000375444 135649522 /nfs/dbraw/zinc/64/95/22/135649522.db2.gz KYCATQZSRHNATO-NSHDSACASA-N 0 0 339.819 4.009 50 0 EIAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccncc1 ZINC000000542026 135652264 /nfs/dbraw/zinc/65/22/64/135652264.db2.gz FCVWSQBLJNSMCF-OAQYLSRUSA-N 0 0 326.403 4.485 50 0 EIAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccnc1 ZINC000000539916 135652308 /nfs/dbraw/zinc/65/23/08/135652308.db2.gz NIQVHLFWMULEPC-OAQYLSRUSA-N 0 0 326.403 4.485 50 0 EIAARN Fc1cncc(CSc2ncnc3sc4c(c32)CCCC4)c1 ZINC000170597165 226639453 /nfs/dbraw/zinc/63/94/53/226639453.db2.gz FBINGPHVJRXBHY-UHFFFAOYSA-N 0 0 331.441 4.397 50 0 EIAARN O=C(Cc1ccncc1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000121313378 221813090 /nfs/dbraw/zinc/81/30/90/221813090.db2.gz VNDPTWZYSDQXIB-SFHVURJKSA-N 0 0 342.851 4.245 50 0 EIAARN O=C(NCCc1cc2ccccc2o1)c1ccccc1C(F)(F)F ZINC000123817296 222336255 /nfs/dbraw/zinc/33/62/55/222336255.db2.gz XLQCHNRLIXOBGE-UHFFFAOYSA-N 0 0 333.309 4.424 50 0 EIAARN c1coc(CN[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)c1 ZINC000095417546 518203963 /nfs/dbraw/zinc/20/39/63/518203963.db2.gz KJVPGXTVCPHGBC-GOSISDBHSA-N 0 0 331.375 4.209 50 0 EIAARN C=C(C)COc1ccccc1/C=C1/N=C(c2cccc(F)c2)OC1=O ZINC000000276850 518621381 /nfs/dbraw/zinc/62/13/81/518621381.db2.gz GVCQVBXNUIYHTO-GZTJUZNOSA-N 0 0 337.350 4.125 50 0 EIAARN C=CCOc1ccccc1/C=C1/N=C(c2ccccc2Cl)OC1=O ZINC000002081101 519065761 /nfs/dbraw/zinc/06/57/61/519065761.db2.gz KHMHODLGDLGDDL-FOWTUZBSSA-N 0 0 339.778 4.249 50 0 EIAARN CC(C)c1nn(C)cc1NC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000253433169 519883199 /nfs/dbraw/zinc/88/31/99/519883199.db2.gz STXUVPZYKUDEST-FLVLSHQESA-N 0 0 338.455 4.253 50 0 EIAARN CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000008748906 521349401 /nfs/dbraw/zinc/34/94/01/521349401.db2.gz RDAJWBNHZGYGRH-UHFFFAOYSA-N 0 0 343.423 4.190 50 0 EIAARN CCc1nc(C)c(C(=O)N2CCC(Sc3ccccc3C)CC2)o1 ZINC000077539319 522187985 /nfs/dbraw/zinc/18/79/85/522187985.db2.gz FATCCHOSAZMLHA-UHFFFAOYSA-N 0 0 344.480 4.251 50 0 EIAARN Cc1cccc(OC(=O)COc2ccc(Br)cc2C)c1C ZINC000004820273 524704809 /nfs/dbraw/zinc/70/48/09/524704809.db2.gz LYZRSYFMCGVUAR-UHFFFAOYSA-N 0 0 349.224 4.359 50 0 EIAARN Cc1cccc([C@H](C)C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000241720763 524862417 /nfs/dbraw/zinc/86/24/17/524862417.db2.gz QRZQNBYBRDEBLP-JVPBZIDWSA-N 0 0 343.854 4.398 50 0 EIAARN CC(=O)c1cc(F)c(NC(=O)[C@H]2C[C@H]2c2sccc2C)c(F)c1 ZINC000253419982 534820038 /nfs/dbraw/zinc/82/00/38/534820038.db2.gz POILVDLYMBQHGV-NEPJUHHUSA-N 0 0 335.375 4.280 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)NCCc3cccs3)ccc2c1 ZINC000017909658 525638926 /nfs/dbraw/zinc/63/89/26/525638926.db2.gz RCEFOSMISLXMES-AWEZNQCLSA-N 0 0 339.460 4.372 50 0 EIAARN Cc1ccc2c(c1)N(C(=O)CSc1nccn1C)C(C)(C)C=C2C ZINC000000085323 526167046 /nfs/dbraw/zinc/16/70/46/526167046.db2.gz IZGOPRAATZNWCX-UHFFFAOYSA-N 0 0 341.480 4.049 50 0 EIAARN O=C(CN1CCCc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000000044335 526760799 /nfs/dbraw/zinc/76/07/99/526760799.db2.gz DKCFZKBEDXTFMY-UHFFFAOYSA-N 0 0 334.341 4.097 50 0 EIAARN Cn1cc(C(=O)OCc2coc(-c3cccs3)n2)c2ccccc21 ZINC000017206649 527174008 /nfs/dbraw/zinc/17/40/08/527174008.db2.gz JBNMWEVTIDWPDZ-UHFFFAOYSA-N 0 0 338.388 4.252 50 0 EIAARN FC(F)(F)[C@@H](NCc1nc(C2CC2)no1)c1cccc2ccccc21 ZINC000390834322 527676876 /nfs/dbraw/zinc/67/68/76/527676876.db2.gz WFRBFWXGLVTYJW-INIZCTEOSA-N 0 0 347.340 4.493 50 0 EIAARN CCCCc1nc(Cl)c(CN2CCC[C@@H]2c2c(C)noc2C)[nH]1 ZINC000216343801 535108897 /nfs/dbraw/zinc/10/88/97/535108897.db2.gz AKAAQOLNMRMZSY-CQSZACIVSA-N 0 0 336.867 4.348 50 0 EIAARN CCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(C)=O)c2ccccc21 ZINC000009514060 535296587 /nfs/dbraw/zinc/29/65/87/535296587.db2.gz PZHDWFPWEPUINQ-YWZLYKJASA-N 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/nfs/dbraw/zinc/23/12/60/563231260.db2.gz XMACOPVVCPMEER-UHFFFAOYSA-N 0 0 337.198 4.236 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000000121739 563234755 /nfs/dbraw/zinc/23/47/55/563234755.db2.gz IQOVNHLCKPZXBD-AWEZNQCLSA-N 0 0 327.424 4.399 50 0 biogenic EIAARN FC(F)(F)c1cc(C(F)(F)F)n2nc(-c3ccccc3)cc2n1 ZINC000000128308 563237557 /nfs/dbraw/zinc/23/75/57/563237557.db2.gz HWUAAKUUJSUKTE-UHFFFAOYSA-N 0 0 331.219 4.434 50 0 EIAARN O=C(COc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000000129233 563237636 /nfs/dbraw/zinc/23/76/36/563237636.db2.gz WFDMZLILPAPQLM-UHFFFAOYSA-N 0 0 333.387 4.283 50 0 EIAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCCCCC1 ZINC000006083408 563241436 /nfs/dbraw/zinc/24/14/36/563241436.db2.gz ONVFJVFYUTXMMA-UHFFFAOYSA-N 0 0 345.874 4.218 50 0 EIAARN O=c1c2c3c(sc2ncn1Cc1ccccc1Cl)CCCC3 ZINC000000143652 563243247 /nfs/dbraw/zinc/24/32/47/563243247.db2.gz LJCGEWJIZTWPAZ-UHFFFAOYSA-N 0 0 330.840 4.039 50 0 EIAARN O=C(CCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000000143413 563243307 /nfs/dbraw/zinc/24/33/07/563243307.db2.gz RWHCKMGDHPFAAC-UHFFFAOYSA-N 0 0 337.206 4.351 50 0 EIAARN CN(CCc1ccccn1)C(=O)c1sc2ccccc2c1Cl ZINC000000154909 563247363 /nfs/dbraw/zinc/24/73/63/563247363.db2.gz SYLQZOKKDIVHIP-UHFFFAOYSA-N 0 0 330.840 4.264 50 0 EIAARN Cn1nc(-c2ccccc2)c(CO)c1Sc1ccccc1Cl ZINC000000169119 563250256 /nfs/dbraw/zinc/25/02/56/563250256.db2.gz KSQZONIRIYXZDA-UHFFFAOYSA-N 0 0 330.840 4.384 50 0 EIAARN FC(F)(F)c1cc(-c2ccc3c(c2)OCO3)nc2cc(C3CC3)nn21 ZINC000000171447 563251628 /nfs/dbraw/zinc/25/16/28/563251628.db2.gz SHDUBCVTRPUMGA-UHFFFAOYSA-N 0 0 347.296 4.021 50 0 EIAARN COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000000181806 563254437 /nfs/dbraw/zinc/25/44/37/563254437.db2.gz ZLCNOHLVXBULKF-UHFFFAOYSA-N 0 0 331.415 4.144 50 0 EIAARN CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Br)cc1 ZINC000000196526 563258036 /nfs/dbraw/zinc/25/80/36/563258036.db2.gz GXDFCYIUGFHKFJ-CQSZACIVSA-N 0 0 349.253 4.208 50 0 EIAARN Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccccc2)Nc2ncnn21 ZINC000000205890 563259816 /nfs/dbraw/zinc/25/98/16/563259816.db2.gz OTQCYDBKAMGLKK-HUUCEWRRSA-N 0 0 328.778 4.217 50 0 EIAARN O=c1c(CN2CC=C(c3ccc(F)cc3)CC2)coc2ccccc21 ZINC000000212952 563261195 /nfs/dbraw/zinc/26/11/95/563261195.db2.gz FTVQGUWCDVEIJA-UHFFFAOYSA-N 0 0 335.378 4.221 50 0 EIAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)cc1 ZINC000000235835 563264094 /nfs/dbraw/zinc/26/40/94/563264094.db2.gz IKQXZIJJDGWOLM-GFCCVEGCSA-N 0 0 341.436 4.081 50 0 EIAARN COc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1OC ZINC000000238313 563264545 /nfs/dbraw/zinc/26/45/45/563264545.db2.gz SBOKPIVMQFZLST-UHFFFAOYSA-N 0 0 333.387 4.208 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1Cl ZINC000000266838 563268873 /nfs/dbraw/zinc/26/88/73/563268873.db2.gz SFTAZFJFMGHBAL-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN Cc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000000286101 563272671 /nfs/dbraw/zinc/27/26/71/563272671.db2.gz HYNHUGWGKHYLLD-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN COc1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1 ZINC000000289915 563273401 /nfs/dbraw/zinc/27/34/01/563273401.db2.gz ZRLGTPSYMYZWHQ-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN COc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000298337 563275474 /nfs/dbraw/zinc/27/54/74/563275474.db2.gz IRKPDXUGYZIHSR-UHFFFAOYSA-N 0 0 346.382 4.402 50 0 EIAARN FC(F)(F)c1cc(C(F)(F)F)n2ncc(-c3ccccc3)c2n1 ZINC000000310051 563280302 /nfs/dbraw/zinc/28/03/02/563280302.db2.gz QGZOMUVIDLHZOE-UHFFFAOYSA-N 0 0 331.219 4.434 50 0 EIAARN COc1ccc(NC(=O)c2cccc(Cl)c2Cl)c(OC)c1 ZINC000000310468 563280601 /nfs/dbraw/zinc/28/06/01/563280601.db2.gz SEYFCULRDNDWOJ-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCc1cc2c(cc1OC(C)=O)occ(Oc1ccc(F)cc1)c2=O ZINC000000314883 563282324 /nfs/dbraw/zinc/28/23/24/563282324.db2.gz QXHJAXZLZWIRQD-UHFFFAOYSA-N 0 0 342.322 4.212 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Br)cc1 ZINC000000319092 563284074 /nfs/dbraw/zinc/28/40/74/563284074.db2.gz SXVDEUXHAZQAEV-CQSZACIVSA-N 0 0 346.268 4.129 50 0 EIAARN CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)Cc1ccccc1 ZINC000000350035 563289143 /nfs/dbraw/zinc/28/91/43/563289143.db2.gz OVZAYBRHDMUPIT-UHFFFAOYSA-N 0 0 343.839 4.203 50 0 EIAARN CCn1ncc(Br)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000000356100 563291186 /nfs/dbraw/zinc/29/11/86/563291186.db2.gz ZSPLQHGNWHQWSY-UHFFFAOYSA-N 0 0 336.233 4.041 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2nccs2)cc1Br ZINC000000358777 563291840 /nfs/dbraw/zinc/29/18/40/563291840.db2.gz LHQRSEWIOLOBOL-UHFFFAOYSA-N 0 0 339.258 4.455 50 0 EIAARN CCc1cccc(C)c1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000000359672 563292556 /nfs/dbraw/zinc/29/25/56/563292556.db2.gz XUTQTLXUYLAXEL-UHFFFAOYSA-N 0 0 338.432 4.430 50 0 EIAARN CCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1 ZINC000000359681 563292939 /nfs/dbraw/zinc/29/29/39/563292939.db2.gz DJIQSLSRDCIMFM-UHFFFAOYSA-N 0 0 342.464 4.137 50 0 EIAARN CCOc1c(CNc2ccc(N3CCCC3)cc2)cccc1OC ZINC000000360232 563293407 /nfs/dbraw/zinc/29/34/07/563293407.db2.gz PKAPTHADUVSHGO-UHFFFAOYSA-N 0 0 326.440 4.306 50 0 EIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)ccc2O)c1 ZINC000000362918 563294336 /nfs/dbraw/zinc/29/43/36/563294336.db2.gz VHEBECOZYDLPCH-UHFFFAOYSA-N 0 0 333.815 4.495 50 0 EIAARN Cc1cc(=O)oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc12 ZINC000000363822 563295054 /nfs/dbraw/zinc/29/50/54/563295054.db2.gz OGSRJTHZLMAMKT-UHFFFAOYSA-N 0 0 338.359 4.108 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000364402 563295376 /nfs/dbraw/zinc/29/53/76/563295376.db2.gz BWDHYKFRZHBHKX-UHFFFAOYSA-N 0 0 331.371 4.179 50 0 EIAARN O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000364360 563295392 /nfs/dbraw/zinc/29/53/92/563295392.db2.gz LFRMCJYLHBACGJ-UHFFFAOYSA-N 0 0 333.362 4.238 50 0 EIAARN Cc1ccccc1OCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000364370 563295398 /nfs/dbraw/zinc/29/53/98/563295398.db2.gz PISZVZCTQRMTNT-UHFFFAOYSA-N 0 0 345.398 4.244 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000000364612 563295603 /nfs/dbraw/zinc/29/56/03/563295603.db2.gz FRAJIPDZQQHFJX-UHFFFAOYSA-N 0 0 345.398 4.244 50 0 EIAARN O=C(Oc1ccc2ccc(OC(=O)c3ccco3)cc2c1)c1ccco1 ZINC000000365205 563296123 /nfs/dbraw/zinc/29/61/23/563296123.db2.gz VUCVYRMPOMESPP-UHFFFAOYSA-N 0 0 348.310 4.464 50 0 EIAARN CCc1c(C)sc(NC(=O)Nc2cccc(Cl)c2)c1C(N)=O ZINC000000369822 563297435 /nfs/dbraw/zinc/29/74/35/563297435.db2.gz YNXJYJIQCHRZHD-UHFFFAOYSA-N 0 0 337.832 4.015 50 0 EIAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(F)cc1F ZINC000000375326 563298743 /nfs/dbraw/zinc/29/87/43/563298743.db2.gz HYTAKGLLUUXCQW-FPYGCLRLSA-N 0 0 338.151 4.379 50 0 EIAARN COC(=O)c1sc2nc(-c3ccccc3)nc(SC)c2c1C ZINC000000376199 563299045 /nfs/dbraw/zinc/29/90/45/563299045.db2.gz IYPYOVPWSDYBPA-UHFFFAOYSA-N 0 0 330.434 4.175 50 0 EIAARN CC(C)(C)c1ccc(-c2nn3c(nnc3-c3ccncc3)s2)cc1 ZINC000000383050 563300654 /nfs/dbraw/zinc/30/06/54/563300654.db2.gz ROAGHIHWUGQKBG-UHFFFAOYSA-N 0 0 335.436 4.212 50 0 EIAARN CC(=O)c1cc(Br)ccc1OC(=O)c1ccc(C)cc1 ZINC000000386539 563303137 /nfs/dbraw/zinc/30/31/37/563303137.db2.gz JIIMHIOYMNXTKM-UHFFFAOYSA-N 0 0 333.181 4.179 50 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COc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1 ZINC000000435507 563312831 /nfs/dbraw/zinc/31/28/31/563312831.db2.gz RTPKWRJHVLNSHT-IZZDOVSWSA-N 0 0 332.197 4.110 50 0 EIAARN COc1cc(Nc2nc(C)c(C(C)=O)s2)c(OC)cc1Cl ZINC000000440702 563313898 /nfs/dbraw/zinc/31/38/98/563313898.db2.gz MSEZBTDIOXCNHH-UHFFFAOYSA-N 0 0 326.805 4.068 50 0 EIAARN COc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000000440551 563313932 /nfs/dbraw/zinc/31/39/32/563313932.db2.gz KYOYVZZZFJRLJF-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)c3ccccc3)ccc12 ZINC000000450607 563319294 /nfs/dbraw/zinc/31/92/94/563319294.db2.gz VKKTUKJLCLXTQU-AWEZNQCLSA-N 0 0 336.387 4.314 50 0 EIAARN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000450799 563319760 /nfs/dbraw/zinc/31/97/60/563319760.db2.gz OJAANQZRIAHETK-AWEZNQCLSA-N 0 0 341.451 4.492 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2Br)cc1 ZINC000000451252 563320376 /nfs/dbraw/zinc/32/03/76/563320376.db2.gz LUIZIFLCPBYQFB-GFCCVEGCSA-N 0 0 348.240 4.339 50 0 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563426951 /nfs/dbraw/zinc/42/69/51/563426951.db2.gz JJMJTABRFZJMOA-UHFFFAOYSA-N 0 0 326.827 4.113 50 0 EIAARN CC(C)(C)CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)c[nH]1 ZINC000002308128 563428977 /nfs/dbraw/zinc/42/89/77/563428977.db2.gz UULSGYZITMMALJ-UHFFFAOYSA-N 0 0 345.512 4.500 50 0 EIAARN O=C(Cc1cccc2ccccc21)NCCOc1ccccc1Cl ZINC000002308130 563429075 /nfs/dbraw/zinc/42/90/75/563429075.db2.gz UXGYEZFEUOTPEO-UHFFFAOYSA-N 0 0 339.822 4.231 50 0 EIAARN Cc1nn2c(ncc3c2C[C@@H](c2ccco2)CC3=O)c1-c1ccccc1 ZINC000002350538 563430193 /nfs/dbraw/zinc/43/01/93/563430193.db2.gz HEYHTKDNMRRVIW-OAHLLOKOSA-N 0 0 343.386 4.210 50 0 EIAARN CCc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 ZINC000002362316 563430437 /nfs/dbraw/zinc/43/04/37/563430437.db2.gz ODEKCVVWLLAWKU-UHFFFAOYSA-N 0 0 347.823 4.218 50 0 EIAARN C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)c1ccccc1 ZINC000002437382 563431931 /nfs/dbraw/zinc/43/19/31/563431931.db2.gz WYTHPKBZSXXHOS-AWEZNQCLSA-N 0 0 348.398 4.322 50 0 EIAARN COc1cccc(COc2ccc3c(c2)oc(=O)c2c3CCCC2)c1 ZINC000002434618 563431956 /nfs/dbraw/zinc/43/19/56/563431956.db2.gz PVRXEIURFNOULE-UHFFFAOYSA-N 0 0 336.387 4.259 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2s1 ZINC000002432545 563432068 /nfs/dbraw/zinc/43/20/68/563432068.db2.gz KFENFWCEUFKFQI-GFCCVEGCSA-N 0 0 340.473 4.366 50 0 EIAARN COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000002464169 563432713 /nfs/dbraw/zinc/43/27/13/563432713.db2.gz RXXOBXGBUNZNHA-UHFFFAOYSA-N 0 0 325.339 4.274 50 0 EIAARN O=C(CSc1nccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000002500956 563434621 /nfs/dbraw/zinc/43/46/21/563434621.db2.gz QZJHOLBRPJECAP-UHFFFAOYSA-N 0 0 326.396 4.046 50 0 EIAARN O=C(c1cccc(Cl)c1)c1cccc(CN2CCSCC2)c1 ZINC000002515284 563436412 /nfs/dbraw/zinc/43/64/12/563436412.db2.gz WZUMCTAXNHBIPJ-UHFFFAOYSA-N 0 0 331.868 4.120 50 0 EIAARN CCCCCNc1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000002520453 563438616 /nfs/dbraw/zinc/43/86/16/563438616.db2.gz DRZJMPYNSZDOHS-UHFFFAOYSA-N 0 0 329.835 4.130 50 0 EIAARN Cc1occc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl ZINC000002532393 563439892 /nfs/dbraw/zinc/43/98/92/563439892.db2.gz KZOAAJFQRCGRND-UHFFFAOYSA-N 0 0 329.208 4.022 50 0 EIAARN CC[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccc(C)cc2)C1 ZINC000002558503 563441155 /nfs/dbraw/zinc/44/11/55/563441155.db2.gz QBNAEWMEEBSABJ-ZDUSSCGKSA-N 0 0 328.481 4.084 50 0 EIAARN CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2OC)C1 ZINC000002558465 563441209 /nfs/dbraw/zinc/44/12/09/563441209.db2.gz POSOZSYOCRBYLT-NSHDSACASA-N 0 0 330.453 4.106 50 0 EIAARN FC(F)(Br)CC(F)(F)CC(F)(F)Br ZINC000002560311 563441596 /nfs/dbraw/zinc/44/15/96/563441596.db2.gz XYMBGGTVDWPIBA-UHFFFAOYSA-N 0 0 337.883 4.377 50 0 EIAARN CCCCOc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000002610062 563444389 /nfs/dbraw/zinc/44/43/89/563444389.db2.gz IVXQMUIZIYNXCL-UHFFFAOYSA-N 0 0 338.201 4.473 50 0 EIAARN Cc1sc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1C ZINC000002615847 563444458 /nfs/dbraw/zinc/44/44/58/563444458.db2.gz ZLFBJEAVHIQAFF-UHFFFAOYSA-N 0 0 339.247 4.430 50 0 EIAARN CC(C)(C)c1ccc(OCCCn2c3ccccc3oc2=O)cc1 ZINC000002668017 563445546 /nfs/dbraw/zinc/44/55/46/563445546.db2.gz YJGSGHLOZXGRRZ-UHFFFAOYSA-N 0 0 325.408 4.361 50 0 EIAARN CCOc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002738607 563447699 /nfs/dbraw/zinc/44/76/99/563447699.db2.gz HLPBXLNICAQXQZ-UHFFFAOYSA-N 0 0 331.240 4.033 50 0 EIAARN CC(=O)Oc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000002748398 563448406 /nfs/dbraw/zinc/44/84/06/563448406.db2.gz FGGXEDYJOHXKSY-UHFFFAOYSA-N 0 0 331.371 4.116 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 ZINC000002823831 563452955 /nfs/dbraw/zinc/45/29/55/563452955.db2.gz PUIBBAKFMGFSIO-UHFFFAOYSA-N 0 0 331.843 4.246 50 0 EIAARN CCCCc1ccc(NC(=S)N2CCC(C(=O)OCC)CC2)cc1 ZINC000002835732 563453705 /nfs/dbraw/zinc/45/37/05/563453705.db2.gz WRNWHPCXJQUWDM-UHFFFAOYSA-N 0 0 348.512 4.001 50 0 EIAARN Cc1ccc(C(C)C)c(OCCCN2c3ccccc3C(=O)C2=O)c1 ZINC000002859483 563456719 /nfs/dbraw/zinc/45/67/19/563456719.db2.gz GNPTUCXFTPKXSB-UHFFFAOYSA-N 0 0 337.419 4.117 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cc1Br)c1ccco1 ZINC000002862882 563457514 /nfs/dbraw/zinc/45/75/14/563457514.db2.gz IQSCHNFBTWNPFF-UHFFFAOYSA-N 0 0 334.091 4.313 50 0 EIAARN CC(C)(C)c1ccccc1OCCCn1cnc2ccccc2c1=O ZINC000002863094 563457419 /nfs/dbraw/zinc/45/74/19/563457419.db2.gz BULLEMHXDLAXIW-UHFFFAOYSA-N 0 0 336.435 4.163 50 0 EIAARN COc1cccc(OCCOc2ccc(Cl)c3cccnc23)c1 ZINC000002862844 563457449 /nfs/dbraw/zinc/45/74/49/563457449.db2.gz IBTADYYQDADMQH-UHFFFAOYSA-N 0 0 329.783 4.355 50 0 EIAARN Cc1cc(OCCCn2cnc3ccccc3c2=O)cc(C)c1Cl ZINC000002862800 563457521 /nfs/dbraw/zinc/45/75/21/563457521.db2.gz LBUWLZDFCOZGSM-UHFFFAOYSA-N 0 0 342.826 4.136 50 0 EIAARN Cc1cc(C)c(OCCCn2cnc3ccccc3c2=O)c(Cl)c1 ZINC000002863133 563457679 /nfs/dbraw/zinc/45/76/79/563457679.db2.gz CGJSTLUSSXWXCV-UHFFFAOYSA-N 0 0 342.826 4.136 50 0 EIAARN CCCCOc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000002870178 563458696 /nfs/dbraw/zinc/45/86/96/563458696.db2.gz OBORLFSMQNBOJK-UHFFFAOYSA-N 0 0 331.843 4.491 50 0 EIAARN CCOc1ccc(-c2nn3c(nnc3-c3ccc(F)cc3)s2)cc1 ZINC000002876585 563460050 /nfs/dbraw/zinc/46/00/50/563460050.db2.gz BUWQZKYTLWJJOZ-UHFFFAOYSA-N 0 0 340.383 4.058 50 0 EIAARN COc1ccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)sc2c1 ZINC000002877354 563460156 /nfs/dbraw/zinc/46/01/56/563460156.db2.gz HLBUMZBPZJCAGZ-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000002888453 563461757 /nfs/dbraw/zinc/46/17/57/563461757.db2.gz YFPRLJLLVRWMSB-UHFFFAOYSA-N 0 0 343.370 4.431 50 0 EIAARN Cc1ccc(CSCCNC(=O)CSCc2ccccc2)cc1 ZINC000002978635 563465192 /nfs/dbraw/zinc/46/51/92/563465192.db2.gz WOAGLUOJEZFRMP-UHFFFAOYSA-N 0 0 345.533 4.278 50 0 EIAARN COc1ccc2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc2c1 ZINC000002978593 563465213 /nfs/dbraw/zinc/46/52/13/563465213.db2.gz JLIHJQKSFIBHLC-UHFFFAOYSA-N 0 0 348.807 4.270 50 0 EIAARN CCOc1ccc(OCCOCCOc2cccc(C)c2C)cc1 ZINC000002983686 563465833 /nfs/dbraw/zinc/46/58/33/563465833.db2.gz QKJZEZODWSZMTI-UHFFFAOYSA-N 0 0 330.424 4.177 50 0 EIAARN COc1cccc(OCCOCCOc2c(C)ccc(C)c2C)c1 ZINC000002984093 563466333 /nfs/dbraw/zinc/46/63/33/563466333.db2.gz HNTPLTQPXJJMGO-UHFFFAOYSA-N 0 0 330.424 4.095 50 0 EIAARN COc1cc(C=O)ccc1OCCCCOc1ccc(Cl)cc1 ZINC000002985739 563466939 /nfs/dbraw/zinc/46/69/39/563466939.db2.gz YQDRQPCLZFRXGF-UHFFFAOYSA-N 0 0 334.799 4.399 50 0 EIAARN CS(=O)(=O)Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000003012934 563469507 /nfs/dbraw/zinc/46/95/07/563469507.db2.gz XJUHDUOPWHXQQJ-UHFFFAOYSA-N 0 0 343.446 4.325 50 0 EIAARN O=C1c2cc(Cl)ccc2N(Cc2c(Cl)cccc2Cl)C1=O ZINC000003064326 563470451 /nfs/dbraw/zinc/47/04/51/563470451.db2.gz WVKVCWGATPMWMX-UHFFFAOYSA-N 0 0 340.593 4.376 50 0 EIAARN CCOC(=O)N[C@H](Sc1ccc(C)cc1)C(=O)c1ccccc1 ZINC000003066359 563470502 /nfs/dbraw/zinc/47/05/02/563470502.db2.gz FHHTUFYQWOBXEX-QGZVFWFLSA-N 0 0 329.421 4.042 50 0 EIAARN S=C1N=NC(c2ccccc2Br)N1Cc1ccccc1 ZINC000003270838 563478413 /nfs/dbraw/zinc/47/84/13/563478413.db2.gz FBEPFEGKIVOVFB-UHFFFAOYSA-N 0 0 346.253 4.045 50 0 EIAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)Nc1ccc(F)cc1F ZINC000034791963 563479308 /nfs/dbraw/zinc/47/93/08/563479308.db2.gz IIUQLTCFRFONPS-UHFFFAOYSA-N 0 0 328.322 4.307 50 0 EIAARN CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Cc1ccccc1 ZINC000034795080 563479876 /nfs/dbraw/zinc/47/98/76/563479876.db2.gz PSTJWPIFAKPHMY-UHFFFAOYSA-N 0 0 337.398 4.350 50 0 EIAARN COc1cccc(-c2n[nH]c(C)c2NC(=O)c2cccc(Cl)c2)c1 ZINC000034796093 563480352 /nfs/dbraw/zinc/48/03/52/563480352.db2.gz WGULLETZUNBVKD-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN CCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)CC(C)(C)C ZINC000034796167 563480554 /nfs/dbraw/zinc/48/05/54/563480554.db2.gz PUCCRYMFPKDDPZ-UHFFFAOYSA-N 0 0 329.444 4.413 50 0 EIAARN Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NC1CCCCC1 ZINC000034903605 563481356 /nfs/dbraw/zinc/48/13/56/563481356.db2.gz SFXQMDGARNEYQW-UHFFFAOYSA-N 0 0 339.483 4.447 50 0 EIAARN CC(C)c1ccc(-n2ccc(NC(=O)COc3ccccc3)n2)cc1 ZINC000034909294 563482049 /nfs/dbraw/zinc/48/20/49/563482049.db2.gz AUEXUIRVVNOZJP-UHFFFAOYSA-N 0 0 335.407 4.013 50 0 EIAARN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)c1 ZINC000034916277 563484593 /nfs/dbraw/zinc/48/45/93/563484593.db2.gz PLDYJCKHPDBRGR-KRWDZBQOSA-N 0 0 336.435 4.110 50 0 EIAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)CC(C)C ZINC000034912714 563484874 /nfs/dbraw/zinc/48/48/74/563484874.db2.gz CDBULXVJZMLWPP-UHFFFAOYSA-N 0 0 337.423 4.303 50 0 EIAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)c1ccco1 ZINC000034913281 563485125 /nfs/dbraw/zinc/48/51/25/563485125.db2.gz GHGCRENOVWGABO-UHFFFAOYSA-N 0 0 335.338 4.294 50 0 EIAARN CCOC(=O)c1ccc(N2C(=O)[C@H](C)S[C@@H]2c2ccccc2)cc1 ZINC000004183814 563496712 /nfs/dbraw/zinc/49/67/12/563496712.db2.gz BHAVOXLQOYWZIO-SCLBCKFNSA-N 0 0 341.432 4.030 50 0 EIAARN CCN1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000004813499 563511613 /nfs/dbraw/zinc/51/16/13/563511613.db2.gz ULYNIJIGMBYGMQ-UHFFFAOYSA-N 0 0 339.464 4.047 50 0 EIAARN CC(C)c1ccc(C2=NNC(=O)[C@@H](c3c[nH]c4ccccc43)C2)cc1 ZINC000005189675 563522413 /nfs/dbraw/zinc/52/24/13/563522413.db2.gz JCFRSLMYECGBRY-QGZVFWFLSA-N 0 0 331.419 4.299 50 0 EIAARN CC(C)c1noc([C@@H](C)S(=O)(=O)Cc2cccc3ccccc32)n1 ZINC000046173752 563528362 /nfs/dbraw/zinc/52/83/62/563528362.db2.gz BWUSXYLDAOGZSF-CYBMUJFWSA-N 0 0 344.436 4.022 50 0 EIAARN O=C1C[C@H](c2ccccc2)Cc2c1cnn2-c1nc2ccccc2s1 ZINC000005486671 563534734 /nfs/dbraw/zinc/53/47/34/563534734.db2.gz MDBVMARSIGFDTH-CQSZACIVSA-N 0 0 345.427 4.395 50 0 EIAARN Cc1ccccc1C1=Nn2c(nnc2-c2cccc(Cl)c2)SC1 ZINC000005518983 563536538 /nfs/dbraw/zinc/53/65/38/563536538.db2.gz BTQXNTGXOCJAEM-UHFFFAOYSA-N 0 0 340.839 4.265 50 0 EIAARN Cc1ccc2ccccc2c1CSc1nnnn1-c1ccccc1 ZINC000005547860 563538355 /nfs/dbraw/zinc/53/83/55/563538355.db2.gz SKXUXAAFFMJGGB-UHFFFAOYSA-N 0 0 332.432 4.416 50 0 EIAARN CC(=O)CSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000005575724 563540805 /nfs/dbraw/zinc/54/08/05/563540805.db2.gz FAUGHAHWLCXBFL-UHFFFAOYSA-N 0 0 345.855 4.348 50 0 EIAARN Cc1cc(C)c2c(nn3c2nc(C)cc3Nc2ccc(N(C)C)cc2)n1 ZINC000002348426 563562722 /nfs/dbraw/zinc/56/27/22/563562722.db2.gz CTNROCVUOFWWQU-UHFFFAOYSA-N 0 0 346.438 4.012 50 0 EIAARN CCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc(OCC)c1OCC ZINC000006328720 563565225 /nfs/dbraw/zinc/56/52/25/563565225.db2.gz TVOLYDLSHNAQBN-HOCLYGCPSA-N 0 0 349.471 4.191 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CNC1(c2ccccc2)CCOCC1 ZINC000071907428 563565814 /nfs/dbraw/zinc/56/58/14/563565814.db2.gz RQCRSRZYFLAYPH-UHFFFAOYSA-N 0 0 348.446 4.446 50 0 EIAARN C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000010573090 563569102 /nfs/dbraw/zinc/56/91/02/563569102.db2.gz OFGGPPSJVUVTSR-RNFRBKRXSA-N 0 0 343.271 4.229 50 0 EIAARN COc1ccc(-n2ncc3c2C[C@H](c2ccc(C)cc2)CC3=O)cc1 ZINC000006661699 563576733 /nfs/dbraw/zinc/57/67/33/563576733.db2.gz KIXNMYMRKBAGPG-INIZCTEOSA-N 0 0 332.403 4.102 50 0 EIAARN O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c2ccccc12 ZINC000006702228 563580490 /nfs/dbraw/zinc/58/04/90/563580490.db2.gz MCKQQXVKAVJAEN-UHFFFAOYSA-N 0 0 333.174 4.296 50 0 EIAARN Cc1cc(C)cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000006715173 563582049 /nfs/dbraw/zinc/58/20/49/563582049.db2.gz HIZFJSWNUJAJSJ-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN Cc1ccnc(NC(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000006715620 563582333 /nfs/dbraw/zinc/58/23/33/563582333.db2.gz ALGMWJWTYDUDRY-UHFFFAOYSA-N 0 0 340.608 4.450 50 0 EIAARN c1ccc(COc2cccc(-c3nc(-c4ccccn4)no3)c2)cc1 ZINC000006730187 563583502 /nfs/dbraw/zinc/58/35/02/563583502.db2.gz QOJIWUIHPGJBNH-UHFFFAOYSA-N 0 0 329.359 4.378 50 0 EIAARN O=C(Nc1ccc(Br)cc1)Nc1ccc(Cl)cn1 ZINC000006740981 563584234 /nfs/dbraw/zinc/58/42/34/563584234.db2.gz AZNFYGDETUVKPW-UHFFFAOYSA-N 0 0 326.581 4.142 50 0 EIAARN O[C@H](c1nc2ccccc2n1CCc1ccccc1)c1ccccc1 ZINC000006753101 563585226 /nfs/dbraw/zinc/58/52/26/563585226.db2.gz JNDKZRIYRQLDAK-NRFANRHFSA-N 0 0 328.415 4.361 50 0 EIAARN Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3ccccc3)c12 ZINC000006755793 563585269 /nfs/dbraw/zinc/58/52/69/563585269.db2.gz RGLKPMAFZAEADG-UHFFFAOYSA-N 0 0 332.407 4.302 50 0 EIAARN COc1ccc(/C=C/c2nn3c(nnc3-c3ccc(C)cc3)s2)cc1 ZINC000006810744 563587205 /nfs/dbraw/zinc/58/72/05/563587205.db2.gz UAPGOCOUENOGNM-KPKJPENVSA-N 0 0 348.431 4.340 50 0 EIAARN ClC(Cl)(Br)C(Cl)(Cl)Br ZINC000006827643 563588171 /nfs/dbraw/zinc/58/81/71/563588171.db2.gz WJUKOGPNGRUXMG-UHFFFAOYSA-N 0 0 325.642 4.039 50 0 EIAARN Cc1cc([C@@H](C)NC(=O)c2cccnc2NC2CCCC2)c(C)o1 ZINC000071911662 563588271 /nfs/dbraw/zinc/58/82/71/563588271.db2.gz UEAZACIFDWRWMK-CYBMUJFWSA-N 0 0 327.428 4.137 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000006850585 563588844 /nfs/dbraw/zinc/58/88/44/563588844.db2.gz JHQUADXMXWTJMW-UHFFFAOYSA-N 0 0 344.499 4.353 50 0 EIAARN Cn1c(CN2c3ccccc3Sc3ccccc32)n[nH]c1=S ZINC000007040724 563593897 /nfs/dbraw/zinc/59/38/97/563593897.db2.gz HZPBGXZSFIVKCO-UHFFFAOYSA-N 0 0 326.450 4.281 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000007185493 563596651 /nfs/dbraw/zinc/59/66/51/563596651.db2.gz WMRDZQKDNDURFY-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000002641558 563597633 /nfs/dbraw/zinc/59/76/33/563597633.db2.gz PNFZBMDYEHHAIE-UHFFFAOYSA-N 0 0 327.409 4.348 50 0 EIAARN Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000007402808 563601264 /nfs/dbraw/zinc/60/12/64/563601264.db2.gz OWIYSDLOACZWHB-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN COc1ccc(S(=O)(=O)Oc2ccccc2Cl)c2ccccc12 ZINC000002697015 563602411 /nfs/dbraw/zinc/60/24/11/563602411.db2.gz DJZXYYCVWVXWMC-UHFFFAOYSA-N 0 0 348.807 4.270 50 0 EIAARN Cc1occc1-c1nnc(NCc2cccc(-c3cccnc3)c2)o1 ZINC000097375672 563602937 /nfs/dbraw/zinc/60/29/37/563602937.db2.gz LYPOTWFMGKTREX-UHFFFAOYSA-N 0 0 332.363 4.312 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc(C)c1Cl ZINC000002764770 563610887 /nfs/dbraw/zinc/61/08/87/563610887.db2.gz IFUJJPWGDUNZTH-HNNXBMFYSA-N 0 0 343.854 4.309 50 0 EIAARN Cc1cccc(-c2noc(CNC(=O)c3ccc4ccccc4c3)n2)c1 ZINC000007721238 563611966 /nfs/dbraw/zinc/61/19/66/563611966.db2.gz FLPOBFLJQCURAZ-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN O=C(CCC1CCCCC1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007759646 563613541 /nfs/dbraw/zinc/61/35/41/563613541.db2.gz WGPGAENTZIWAHK-UHFFFAOYSA-N 0 0 347.846 4.367 50 0 EIAARN CCOc1ccc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)sc2c1 ZINC000002766849 563613760 /nfs/dbraw/zinc/61/37/60/563613760.db2.gz SEHFEUWSOXPZLE-LSDHHAIUSA-N 0 0 338.432 4.437 50 0 EIAARN COc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OC(F)F ZINC000002796742 563616890 /nfs/dbraw/zinc/61/68/90/563616890.db2.gz FLVLAVCKJNLXBI-UHFFFAOYSA-N 0 0 327.714 4.202 50 0 EIAARN O=C(NC(c1cccs1)c1cccs1)[C@H]1C[C@H]1c1cccnc1 ZINC000071915263 563619095 /nfs/dbraw/zinc/61/90/95/563619095.db2.gz AZGHLNJRCXUBQZ-KBPBESRZSA-N 0 0 340.473 4.214 50 0 EIAARN Cc1cccc(-c2nsc(SCC(=O)Nc3ccccc3)n2)c1 ZINC000002917496 563619272 /nfs/dbraw/zinc/61/92/72/563619272.db2.gz CFJGWYQNBVQKGC-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN CC(C)n1nccc1NC(=O)NC(c1cccs1)c1cccs1 ZINC000071915855 563620043 /nfs/dbraw/zinc/62/00/43/563620043.db2.gz SKTXYMRGQZODQC-UHFFFAOYSA-N 0 0 346.481 4.498 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2ccccc2SC(C)C)c1 ZINC000008041035 563620116 /nfs/dbraw/zinc/62/01/16/563620116.db2.gz UMWABQWWKXESNW-UHFFFAOYSA-N 0 0 328.437 4.398 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000043653798 563626184 /nfs/dbraw/zinc/62/61/84/563626184.db2.gz ULCNCXOGLJQDID-NSHDSACASA-N 0 0 331.803 4.181 50 0 EIAARN CCCc1nnc2sc(C(C)(C)Oc3ccc(Cl)cc3)nn12 ZINC000008392296 563629028 /nfs/dbraw/zinc/62/90/28/563629028.db2.gz FLFAYORPTJCYPU-UHFFFAOYSA-N 0 0 336.848 4.106 50 0 EIAARN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(SC)c1 ZINC000008479274 563631143 /nfs/dbraw/zinc/63/11/43/563631143.db2.gz OMJVHAMQVFYGMZ-OAHLLOKOSA-N 0 0 331.437 4.213 50 0 EIAARN CCc1ccc(-c2nn3c(nnc3-c3ccc(OC)cc3)s2)cc1 ZINC000008715090 563636749 /nfs/dbraw/zinc/63/67/49/563636749.db2.gz BMGVKJVECSFAHY-UHFFFAOYSA-N 0 0 336.420 4.091 50 0 EIAARN Cc1cccc2[nH]c(=S)n(-c3ccc(Br)cc3)c(=O)c12 ZINC000008729944 563638095 /nfs/dbraw/zinc/63/80/95/563638095.db2.gz QVBRQFSEJIYRJQ-UHFFFAOYSA-N 0 0 347.237 4.119 50 0 EIAARN O=C(Nc1nnc(CCc2ccccc2)s1)c1cccc(Cl)c1 ZINC000008743450 563638803 /nfs/dbraw/zinc/63/88/03/563638803.db2.gz PWDDLMUXKAMBJH-UHFFFAOYSA-N 0 0 343.839 4.229 50 0 EIAARN CC(=O)c1cccc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)c1 ZINC000012710429 563668217 /nfs/dbraw/zinc/66/82/17/563668217.db2.gz HLORNTWUWPMJKN-GOSISDBHSA-N 0 0 341.476 4.354 50 0 EIAARN CCCCc1nc2cc(C(=O)N[C@@H](C)CCCC(C)(C)O)ccc2o1 ZINC000012713044 563668709 /nfs/dbraw/zinc/66/87/09/563668709.db2.gz PWRLXYPNYIYRRN-AWEZNQCLSA-N 0 0 346.471 4.230 50 0 EIAARN CCOC(=O)c1c(-c2ccccc2)cn2c1sc1ccccc1c2=O ZINC000012788667 563671167 /nfs/dbraw/zinc/67/11/67/563671167.db2.gz IFBCVZLSHMPLJJ-UHFFFAOYSA-N 0 0 349.411 4.358 50 0 EIAARN C[C@H]1CCc2nc(NC(=O)c3ccccc3OC(F)F)sc2C1 ZINC000012798113 563673093 /nfs/dbraw/zinc/67/30/93/563673093.db2.gz YAROZQGSZKUGGR-VIFPVBQESA-N 0 0 338.379 4.122 50 0 EIAARN O=C(CCC(=O)c1ccccc1)OCc1coc(-c2cccs2)n1 ZINC000012818204 563674871 /nfs/dbraw/zinc/67/48/71/563674871.db2.gz PJHZQBPCQNOCEK-UHFFFAOYSA-N 0 0 341.388 4.109 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1Cl ZINC000032644444 563674879 /nfs/dbraw/zinc/67/48/79/563674879.db2.gz WMQDYWJQRJOCLC-UHFFFAOYSA-N 0 0 343.814 4.185 50 0 EIAARN Cc1ccc(SCCC(=O)Nc2nnc(C3CC3)s2)cc1C ZINC000032674343 563677104 /nfs/dbraw/zinc/67/71/04/563677104.db2.gz OTAFKHYWPOGZGW-UHFFFAOYSA-N 0 0 333.482 4.153 50 0 EIAARN FC(F)Oc1ccc(NC(=S)Nc2cccnc2)cc1Cl ZINC000012970499 563678932 /nfs/dbraw/zinc/67/89/32/563678932.db2.gz HNBIMJWQNPABQA-UHFFFAOYSA-N 0 0 329.759 4.145 50 0 EIAARN Cc1ccc([C@@H](Nc2cc(C)nc3ncnn32)c2cccs2)cc1 ZINC000012972688 563679595 /nfs/dbraw/zinc/67/95/95/563679595.db2.gz DVWQMAUARDAUGQ-QGZVFWFLSA-N 0 0 335.436 4.004 50 0 EIAARN Cc1ccc(Cl)cc1NCC(=O)N1CCSc2ccccc21 ZINC000012988579 563682323 /nfs/dbraw/zinc/68/23/23/563682323.db2.gz PUIVDAOFTJECPV-UHFFFAOYSA-N 0 0 332.856 4.199 50 0 EIAARN CCc1nnsc1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000012993130 563682794 /nfs/dbraw/zinc/68/27/94/563682794.db2.gz JBCQSBFZOOVZMH-UHFFFAOYSA-N 0 0 325.393 4.145 50 0 EIAARN CC(C)(C)c1cc(NC(=O)c2ccccc2)n(Cc2ccccc2)n1 ZINC000013020588 563685571 /nfs/dbraw/zinc/68/55/71/563685571.db2.gz QASDOZVQURWPLM-UHFFFAOYSA-N 0 0 333.435 4.481 50 0 EIAARN COc1ccccc1NC(=O)[C@H](C)Nc1cc(C)c(Cl)cc1OC ZINC000013068969 563686864 /nfs/dbraw/zinc/68/68/64/563686864.db2.gz PYEJVDGZWZEIEX-LBPRGKRZSA-N 0 0 348.830 4.105 50 0 EIAARN Cc1cc2n(n1)[C@H](c1ccc3c(c1)OCO3)Nc1c(C)cc(C)cc1-2 ZINC000013123872 563689132 /nfs/dbraw/zinc/68/91/32/563689132.db2.gz XSGCILQLXJLOOK-HXUWFJFHSA-N 0 0 333.391 4.176 50 0 EIAARN CCc1nccn1-c1ccc(CNC(=O)c2ccc(Cl)s2)cc1 ZINC000064758041 563691697 /nfs/dbraw/zinc/69/16/97/563691697.db2.gz DZEDEQGEVWPQLW-UHFFFAOYSA-N 0 0 345.855 4.080 50 0 EIAARN CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(C)cc1 ZINC000013228224 563692621 /nfs/dbraw/zinc/69/26/21/563692621.db2.gz KPALOUFQCBXDDB-UHFFFAOYSA-N 0 0 349.463 4.442 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccncc3)ccc2c1 ZINC000032716696 563698411 /nfs/dbraw/zinc/69/84/11/563698411.db2.gz KUYVWYJVUJPJDN-HUUCEWRRSA-N 0 0 334.419 4.224 50 0 EIAARN CCCc1cc(=O)[nH]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000013465952 563698954 /nfs/dbraw/zinc/69/89/54/563698954.db2.gz PMGYPBPEIVVXSQ-UHFFFAOYSA-N 0 0 329.252 4.322 50 0 EIAARN CC(=O)c1ccc(NC(=S)NCCc2cccc(Cl)c2)cc1 ZINC000013519821 563700437 /nfs/dbraw/zinc/70/04/37/563700437.db2.gz CUZBACHHWQECIQ-UHFFFAOYSA-N 0 0 332.856 4.072 50 0 EIAARN COc1cccc(-c2nnc(NC(=O)c3ccccc3Cl)s2)c1 ZINC000013570382 563702173 /nfs/dbraw/zinc/70/21/73/563702173.db2.gz HWOGSTRYEDRKTB-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN Fc1ccc(C2N=NC(=S)N2c2cccc3ncccc32)c(F)c1 ZINC000013571505 563702573 /nfs/dbraw/zinc/70/25/73/563702573.db2.gz MXSOVFZXFMSZLF-UHFFFAOYSA-N 0 0 340.358 4.049 50 0 EIAARN COCCn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1 ZINC000032721558 563707486 /nfs/dbraw/zinc/70/74/86/563707486.db2.gz ZOQYAOLJVKMKOS-UHFFFAOYSA-N 0 0 339.464 4.192 50 0 EIAARN C[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccnc1 ZINC000032722739 563707822 /nfs/dbraw/zinc/70/78/22/563707822.db2.gz QEKLNPBILULOHJ-INIZCTEOSA-N 0 0 332.403 4.152 50 0 EIAARN Cc1csc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)n1 ZINC000013719110 563715999 /nfs/dbraw/zinc/71/59/99/563715999.db2.gz LQGCWTGQEOJBNZ-UHFFFAOYSA-N 0 0 340.433 4.104 50 0 EIAARN Fc1ccc(-c2nn3c(nnc3-c3cc4ccccc4[nH]3)s2)cc1 ZINC000013723389 563717665 /nfs/dbraw/zinc/71/76/65/563717665.db2.gz WLZKCPKZDONCTE-UHFFFAOYSA-N 0 0 335.367 4.140 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2csc(C(C)C)c2)nc1C ZINC000013745810 563720212 /nfs/dbraw/zinc/72/02/12/563720212.db2.gz ZLOFFKLLQDBXIH-UHFFFAOYSA-N 0 0 338.454 4.065 50 0 EIAARN Cc1scc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1C ZINC000013744210 563720294 /nfs/dbraw/zinc/72/02/94/563720294.db2.gz GBTFRCAMQRUOHY-UHFFFAOYSA-N 0 0 348.899 4.289 50 0 EIAARN Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2nc1C ZINC000032740784 563721538 /nfs/dbraw/zinc/72/15/38/563721538.db2.gz HGZNVNAHNMPEJI-QGZVFWFLSA-N 0 0 337.448 4.285 50 0 EIAARN Cc1ccnn1-c1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000032744460 563722299 /nfs/dbraw/zinc/72/22/99/563722299.db2.gz UFPOBORGKUCTKS-OAQYLSRUSA-N 0 0 345.446 4.330 50 0 EIAARN O=C(NCCCOCC1CC1)c1ccccc1Nc1ccc(F)cc1 ZINC000032751594 563724366 /nfs/dbraw/zinc/72/43/66/563724366.db2.gz JPGGSZQHDTUURE-UHFFFAOYSA-N 0 0 342.414 4.116 50 0 EIAARN O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccccc1Cl ZINC000013816139 563724960 /nfs/dbraw/zinc/72/49/60/563724960.db2.gz COSZKNAJGJHLQA-UHFFFAOYSA-N 0 0 343.839 4.189 50 0 EIAARN CCCn1c(NC(=O)c2cc3cc(F)ccc3[nH]2)nc2ccccc21 ZINC000032760181 563726468 /nfs/dbraw/zinc/72/64/68/563726468.db2.gz CUAQYZTYMXHZGC-UHFFFAOYSA-N 0 0 336.370 4.319 50 0 EIAARN Cc1cc(NC(=O)c2cc(Cl)ccc2F)n(Cc2ccccc2)n1 ZINC000032754180 563727581 /nfs/dbraw/zinc/72/75/81/563727581.db2.gz SCEANJNUNFHJKC-UHFFFAOYSA-N 0 0 343.789 4.285 50 0 EIAARN CCc1cccc2c(C3=CCN(C(=O)c4ccncc4)CC3)c[nH]c21 ZINC000032754299 563727595 /nfs/dbraw/zinc/72/75/95/563727595.db2.gz PLRSCGJASZPRDG-UHFFFAOYSA-N 0 0 331.419 4.055 50 0 EIAARN CCOc1ccc(-c2noc(CN[C@@H](C)c3ccccc3F)n2)cc1 ZINC000032777163 563728872 /nfs/dbraw/zinc/72/88/72/563728872.db2.gz KMWKLEZRSAOBLY-ZDUSSCGKSA-N 0 0 341.386 4.125 50 0 EIAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Oc1cccc(F)c1 ZINC000032768054 563729618 /nfs/dbraw/zinc/72/96/18/563729618.db2.gz RLQFLIAMZVVRLL-UHFFFAOYSA-N 0 0 346.745 4.067 50 0 EIAARN Cc1cccc(OCC(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000032769542 563729798 /nfs/dbraw/zinc/72/97/98/563729798.db2.gz CZCBSKWNRHOYFT-UHFFFAOYSA-N 0 0 325.408 4.334 50 0 EIAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000013942327 563731810 /nfs/dbraw/zinc/73/18/10/563731810.db2.gz IWLLZKDYXHTQMM-BTYIYWSLSA-N 0 0 346.430 4.201 50 0 EIAARN Cc1cccc(OCc2nn3c(nnc3-c3cccc(C)c3)s2)c1 ZINC000013945100 563732557 /nfs/dbraw/zinc/73/25/57/563732557.db2.gz HPSMARIHKVVKOR-UHFFFAOYSA-N 0 0 336.420 4.049 50 0 EIAARN O=C(NC[C@H](O)c1ccc(Cl)cc1)Nc1cccc2ccccc21 ZINC000032779491 563732835 /nfs/dbraw/zinc/73/28/35/563732835.db2.gz MFGUWBYPDHDEBA-SFHVURJKSA-N 0 0 340.810 4.348 50 0 EIAARN CCc1c(O)nc(SCc2ccccc2)n(C2CCCCC2)c1=O ZINC000013957334 563733158 /nfs/dbraw/zinc/73/31/58/563733158.db2.gz PAPDLPKOLAJGGC-UHFFFAOYSA-N 0 0 344.480 4.309 50 0 EIAARN Cc1cccc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c1C ZINC000013961097 563733497 /nfs/dbraw/zinc/73/34/97/563733497.db2.gz CIGJSVDINBMCKX-MRXNPFEDSA-N 0 0 346.789 4.228 50 0 EIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(F)c1F ZINC000013961351 563733505 /nfs/dbraw/zinc/73/35/05/563733505.db2.gz KQRLJEXNAIOLMG-UHFFFAOYSA-N 0 0 334.753 4.072 50 0 EIAARN Cc1ccccc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000014052587 563737312 /nfs/dbraw/zinc/73/73/12/563737312.db2.gz CHLNZEFYOKEHMY-UHFFFAOYSA-N 0 0 342.345 4.500 50 0 EIAARN C=C=Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000014095562 563740473 /nfs/dbraw/zinc/74/04/73/563740473.db2.gz AYBOJLMEGRJKNR-QGZVFWFLSA-N 0 0 343.430 4.429 50 0 EIAARN COc1ccccc1-c1nc(CSc2nnc(C(C)C)[nH]2)cs1 ZINC000014140579 563745195 /nfs/dbraw/zinc/74/51/95/563745195.db2.gz VUKCFVAJUZLUQG-UHFFFAOYSA-N 0 0 346.481 4.353 50 0 EIAARN O=C(CCCc1cccs1)Nc1cccc(Oc2cnccn2)c1 ZINC000032817544 563751262 /nfs/dbraw/zinc/75/12/62/563751262.db2.gz RTTGQNHSGOTZSJ-UHFFFAOYSA-N 0 0 339.420 4.292 50 0 EIAARN CC(C)CCC[C@@H](C)NC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000032809231 563752029 /nfs/dbraw/zinc/75/20/29/563752029.db2.gz PYMUASBZNSYIDF-AEFFLSMTSA-N 0 0 342.487 4.024 50 0 EIAARN COc1ccccc1CCC(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000014244109 563754281 /nfs/dbraw/zinc/75/42/81/563754281.db2.gz HARDONHZPAZRQE-INIZCTEOSA-N 0 0 345.439 4.120 50 0 EIAARN Cc1cc(F)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000014348927 563758167 /nfs/dbraw/zinc/75/81/67/563758167.db2.gz KXTCYEDFDOBXET-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN O=C(NCCSc1ccc(Cl)cc1)N[C@@H]1CCc2ccccc21 ZINC000032843823 563761292 /nfs/dbraw/zinc/76/12/92/563761292.db2.gz NUHTYXXYCUSCMR-QGZVFWFLSA-N 0 0 346.883 4.419 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2Cl)n1 ZINC000032860425 563764946 /nfs/dbraw/zinc/76/49/46/563764946.db2.gz RCOYFBUOYMZCTO-UHFFFAOYSA-N 0 0 328.224 4.066 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc2ccccc2s1 ZINC000014825871 563765678 /nfs/dbraw/zinc/76/56/78/563765678.db2.gz HXBZJAPCFGZSLF-UHFFFAOYSA-N 0 0 348.859 4.363 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000014899855 563766782 /nfs/dbraw/zinc/76/67/82/563766782.db2.gz RIBAAOVMWBKFPW-ZDUSSCGKSA-N 0 0 338.382 4.209 50 0 EIAARN CCN(c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1)C(C)C ZINC000032870362 563767334 /nfs/dbraw/zinc/76/73/34/563767334.db2.gz WYABNJUXQFRPOD-UHFFFAOYSA-N 0 0 341.411 4.294 50 0 EIAARN Cc1ccccc1[C@@H](CC(=O)N1CCSCC1)c1ccccc1 ZINC000014951493 563767620 /nfs/dbraw/zinc/76/76/20/563767620.db2.gz YIKDEZAKVZJEAI-IBGZPJMESA-N 0 0 325.477 4.092 50 0 EIAARN CCCc1nc(NC(=O)c2cc3ccccc3oc2=O)sc1CC ZINC000004551058 563768535 /nfs/dbraw/zinc/76/85/35/563768535.db2.gz JKNKQZGANMHFSY-UHFFFAOYSA-N 0 0 342.420 4.017 50 0 EIAARN CC(C)c1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000015011285 563771886 /nfs/dbraw/zinc/77/18/86/563771886.db2.gz NRPSZJYYDZMAOJ-ATVHPVEESA-N 0 0 328.481 4.200 50 0 EIAARN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000015012334 563772253 /nfs/dbraw/zinc/77/22/53/563772253.db2.gz XMBVZFXLURBYPD-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1cc2c(c(C)c1)NC(=O)[C@@H]2Cc1ccccc1Br ZINC000015017985 563773345 /nfs/dbraw/zinc/77/33/45/563773345.db2.gz KADBZNKGJCGDMH-CQSZACIVSA-N 0 0 330.225 4.344 50 0 EIAARN Brc1ccc2sc(I)cc2c1 ZINC000015042988 563774304 /nfs/dbraw/zinc/77/43/04/563774304.db2.gz GXOJIGFIISCLSK-UHFFFAOYSA-N 0 0 338.995 4.268 50 0 EIAARN CN(Cc1nnc(-c2ccco2)o1)Cc1cccc(Cl)c1Cl ZINC000015299636 563781590 /nfs/dbraw/zinc/78/15/90/563781590.db2.gz YSSHWWCZEMDFJB-UHFFFAOYSA-N 0 0 338.194 4.268 50 0 EIAARN Cc1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000015356090 563783487 /nfs/dbraw/zinc/78/34/87/563783487.db2.gz DYFBIWRKCAWQFF-UHFFFAOYSA-N 0 0 327.380 4.406 50 0 EIAARN Cc1c(Cl)c(-c2ccc(NS(C)(=O)=O)cc2)nc2ccccc12 ZINC000015453962 563784656 /nfs/dbraw/zinc/78/46/56/563784656.db2.gz IHLHPQQEJPXDCT-UHFFFAOYSA-N 0 0 346.839 4.235 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C)c1C ZINC000015480373 563784855 /nfs/dbraw/zinc/78/48/55/563784855.db2.gz QTOUVDRDCWBHKV-FQEVSTJZSA-N 0 0 334.419 4.206 50 0 EIAARN O=C(c1ccc2c[nH]nc2c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000032901051 563787269 /nfs/dbraw/zinc/78/72/69/563787269.db2.gz IDJZHFAWKGHFRK-INIZCTEOSA-N 0 0 348.431 4.150 50 0 EIAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1F ZINC000015583731 563787588 /nfs/dbraw/zinc/78/75/88/563787588.db2.gz XRHGJZZAPDAEHS-LLVKDONJSA-N 0 0 332.806 4.407 50 0 EIAARN CCc1nc2sc(C(=O)N(C)Cc3cccs3)c(C)c2c(C)n1 ZINC000032903396 563789191 /nfs/dbraw/zinc/78/91/91/563789191.db2.gz UMSVVMGJLWUWFO-UHFFFAOYSA-N 0 0 345.493 4.204 50 0 EIAARN CCn1nnc2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc21 ZINC000015643461 563789461 /nfs/dbraw/zinc/78/94/61/563789461.db2.gz ZIJGDOWXPNTPNO-UHFFFAOYSA-N 0 0 342.402 4.371 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OCc2cscn2)cc1 ZINC000015662399 563789841 /nfs/dbraw/zinc/78/98/41/563789841.db2.gz ACDHCTMWDANQFP-GUYCJALGSA-N 0 0 330.453 4.031 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)N(CC)Cc3ccccc3)[nH]n2)cc1 ZINC000015721733 563791106 /nfs/dbraw/zinc/79/11/06/563791106.db2.gz WONWSQNHQAETOE-UHFFFAOYSA-N 0 0 349.434 4.138 50 0 EIAARN CN(C(=O)c1ccc(Br)cc1F)[C@H]1CCc2ccccc21 ZINC000032905683 563791378 /nfs/dbraw/zinc/79/13/78/563791378.db2.gz KHEKIZICMFCXEO-INIZCTEOSA-N 0 0 348.215 4.348 50 0 EIAARN CC[C@H](C(=O)Nc1cccc(NC(=O)NC2CC2)c1)c1ccccc1 ZINC000032906536 563792575 /nfs/dbraw/zinc/79/25/75/563792575.db2.gz QUYUXQJBGRMJAK-SFHVURJKSA-N 0 0 337.423 4.103 50 0 EIAARN COc1ccc(-c2nc(CNC(=O)c3ccc(C)cc3)cs2)cc1 ZINC000015832628 563793640 /nfs/dbraw/zinc/79/36/40/563793640.db2.gz ROLDRCUFGMAOSS-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN Cc1cc(Cl)ccc1-n1ncc2c1ncnc2N1CCC[C@H](C)C1 ZINC000015880913 563799554 /nfs/dbraw/zinc/79/95/54/563799554.db2.gz MMEASWCRIVQHKD-LBPRGKRZSA-N 0 0 341.846 4.014 50 0 EIAARN FC(F)(F)c1nc(SCc2ccc(Cl)cc2Cl)n[nH]1 ZINC000015924170 563800123 /nfs/dbraw/zinc/80/01/23/563800123.db2.gz AEPVWAAMUKUJTP-UHFFFAOYSA-N 0 0 328.146 4.423 50 0 EIAARN COc1ccccc1[C@@H](C)NC(=O)CS[C@H](C)c1ccccc1 ZINC000032909442 563802112 /nfs/dbraw/zinc/80/21/12/563802112.db2.gz PDJZLTZEXSJHCN-HUUCEWRRSA-N 0 0 329.465 4.367 50 0 EIAARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1cc(F)cc(F)c1 ZINC000016129600 563804319 /nfs/dbraw/zinc/80/43/19/563804319.db2.gz GUOLBIMYERTGSS-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN CCC(C)(C)NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000016384497 563810231 /nfs/dbraw/zinc/81/02/31/563810231.db2.gz VVOQRNOZFLLFEU-QGZVFWFLSA-N 0 0 348.537 4.062 50 0 EIAARN Cc1ccnc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1 ZINC000016580013 563815274 /nfs/dbraw/zinc/81/52/74/563815274.db2.gz NWXBKZLZDWTEEJ-SNVBAGLBSA-N 0 0 325.195 4.103 50 0 EIAARN CCc1ccc2c(Cl)c(C(=O)N[C@@H](C)[C@H]3CCCO3)sc2c1 ZINC000016603884 563816588 /nfs/dbraw/zinc/81/65/88/563816588.db2.gz CISRYJMKUALXNK-GXFFZTMASA-N 0 0 337.872 4.414 50 0 EIAARN Cc1sc(NC(=O)Cc2ccccc2)nc1-c1ccc(F)cc1 ZINC000016605335 563817040 /nfs/dbraw/zinc/81/70/40/563817040.db2.gz CWJCFWJVPYLPBU-UHFFFAOYSA-N 0 0 326.396 4.439 50 0 EIAARN CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1C ZINC000016606131 563817279 /nfs/dbraw/zinc/81/72/79/563817279.db2.gz FASBWTLYPBWEJS-ZDUSSCGKSA-N 0 0 339.222 4.493 50 0 EIAARN CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1C ZINC000016606128 563817306 /nfs/dbraw/zinc/81/73/06/563817306.db2.gz FASBWTLYPBWEJS-CYBMUJFWSA-N 0 0 339.222 4.493 50 0 EIAARN Cc1cccc(-c2noc(CN3CC=C(c4ccc(O)cc4)CC3)n2)c1 ZINC000032923759 563825321 /nfs/dbraw/zinc/82/53/21/563825321.db2.gz AZIXGDUAXVHMQQ-UHFFFAOYSA-N 0 0 347.418 4.040 50 0 EIAARN CN(C)c1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1 ZINC000000197310 563826550 /nfs/dbraw/zinc/82/65/50/563826550.db2.gz UIJAPMIHXFNPOR-ZHZULCJRSA-N 0 0 342.398 4.250 50 0 EIAARN CCCn1nc(NC(=O)c2ccco2)c2cc3cc(C)ccc3nc21 ZINC000017015777 563828328 /nfs/dbraw/zinc/82/83/28/563828328.db2.gz QRGKWXHZWFMTHW-UHFFFAOYSA-N 0 0 334.379 4.148 50 0 EIAARN COc1cc2c(c(OC)c1)[C@H](c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000017066619 563830619 /nfs/dbraw/zinc/83/06/19/563830619.db2.gz DPSPHJXGZJXCGW-INIZCTEOSA-N 0 0 325.408 4.301 50 0 EIAARN O=C(NCCc1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000017066700 563831103 /nfs/dbraw/zinc/83/11/03/563831103.db2.gz HWUCOYGDLFCYQP-UHFFFAOYSA-N 0 0 326.293 4.209 50 0 EIAARN Cc1cccc(N2C(=S)N=NC2c2csc3c2CCCC3)c1 ZINC000017067133 563831388 /nfs/dbraw/zinc/83/13/88/563831388.db2.gz BXTRVFTYWUURSR-UHFFFAOYSA-N 0 0 327.478 4.472 50 0 EIAARN C[C@@H]1CCCCN1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000017072489 563836088 /nfs/dbraw/zinc/83/60/88/563836088.db2.gz JSOFIFDVNUWEDR-CYBMUJFWSA-N 0 0 348.903 4.156 50 0 EIAARN Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c1C ZINC000017135687 563838025 /nfs/dbraw/zinc/83/80/25/563838025.db2.gz INSWQYHMGLEDMB-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN O=C(CC1CCCCC1)NCc1ccnc(OCc2ccccc2)c1 ZINC000032930407 563841028 /nfs/dbraw/zinc/84/10/28/563841028.db2.gz GYNUHVDNFIAKBL-UHFFFAOYSA-N 0 0 338.451 4.247 50 0 EIAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CCc1cccc(F)c1 ZINC000032930680 563841373 /nfs/dbraw/zinc/84/13/73/563841373.db2.gz NDSGQVIXCSAWGK-UHFFFAOYSA-N 0 0 340.398 4.054 50 0 EIAARN CCc1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1 ZINC000032930328 563841555 /nfs/dbraw/zinc/84/15/55/563841555.db2.gz WGSUJPSOPGUOLQ-UHFFFAOYSA-N 0 0 346.430 4.153 50 0 EIAARN C[C@@H](NC(=O)c1ccccc1Cl)c1cccc(OC(F)F)c1 ZINC000032931079 563842339 /nfs/dbraw/zinc/84/23/39/563842339.db2.gz LJUXLNGZPKCLJO-SNVBAGLBSA-N 0 0 325.742 4.432 50 0 EIAARN O=C(COc1ccccc1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000032933502 563844712 /nfs/dbraw/zinc/84/47/12/563844712.db2.gz YHDFUTQVISGORG-UHFFFAOYSA-N 0 0 344.414 4.398 50 0 EIAARN O=C(CSc1ccccc1)Nc1nnc(C2CCCCC2)s1 ZINC000018068623 563847842 /nfs/dbraw/zinc/84/78/42/563847842.db2.gz LETQCXKDEOKHTB-UHFFFAOYSA-N 0 0 333.482 4.317 50 0 EIAARN Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)c1 ZINC000018144081 563849394 /nfs/dbraw/zinc/84/93/94/563849394.db2.gz APDPTEZNIIDUGX-YSSFQJQWSA-N 0 0 347.414 4.489 50 0 EIAARN COc1ccc(CN(C)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000018173553 563850288 /nfs/dbraw/zinc/85/02/88/563850288.db2.gz WRVKLSLBBMPTMC-UHFFFAOYSA-N 0 0 334.803 4.021 50 0 EIAARN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000018247232 563851648 /nfs/dbraw/zinc/85/16/48/563851648.db2.gz KBSWKXKTLUQVDA-ZOCIIQOWSA-N 0 0 335.403 4.405 50 0 EIAARN CCc1ccc(CN(Cc2nc(Cc3ccccc3)no2)C2CC2)cc1 ZINC000071951845 563852262 /nfs/dbraw/zinc/85/22/62/563852262.db2.gz JTGXUUONOGFJBX-UHFFFAOYSA-N 0 0 347.462 4.387 50 0 EIAARN CCc1nnc(-c2cccc(NC(=O)c3ccc(Cl)s3)c2)o1 ZINC000175366573 563852875 /nfs/dbraw/zinc/85/28/75/563852875.db2.gz RBTFTGVSBKMJKK-UHFFFAOYSA-N 0 0 333.800 4.266 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)N[C@H]1CCOc2ccccc21 ZINC000043165001 563856123 /nfs/dbraw/zinc/85/61/23/563856123.db2.gz KVCJDRKKDNUKDT-INIZCTEOSA-N 0 0 348.805 4.144 50 0 EIAARN O=C(Nc1ccc(N2CCc3sccc3C2)cc1)NC1CCCC1 ZINC000072055418 563861336 /nfs/dbraw/zinc/86/13/36/563861336.db2.gz QMHYUVZPFDLPHG-UHFFFAOYSA-N 0 0 341.480 4.375 50 0 EIAARN COc1ccc(C2(CNC(=S)Nc3ccccc3)CCCC2)cc1 ZINC000005586786 563862601 /nfs/dbraw/zinc/86/26/01/563862601.db2.gz TWXYTSXHKDZKJC-UHFFFAOYSA-N 0 0 340.492 4.494 50 0 EIAARN CCOC(=O)[C@@H]1CCCN(c2cc(C)c3cc(SC)ccc3n2)C1 ZINC000023634748 563866941 /nfs/dbraw/zinc/86/69/41/563866941.db2.gz YPASYGZUCOLYIW-CQSZACIVSA-N 0 0 344.480 4.045 50 0 EIAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC000024503834 563871999 /nfs/dbraw/zinc/87/19/99/563871999.db2.gz UBQOCBMGIIMPMR-ZRGWGRIASA-N 0 0 336.435 4.114 50 0 EIAARN Cc1ccc(CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000024712539 563874474 /nfs/dbraw/zinc/87/44/74/563874474.db2.gz IQGQAIQRQSPUTI-UHFFFAOYSA-N 0 0 329.469 4.466 50 0 EIAARN CN(Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc2ccccc2c1 ZINC000024814373 563876001 /nfs/dbraw/zinc/87/60/01/563876001.db2.gz VMSFEABWBXEGHP-UHFFFAOYSA-N 0 0 349.821 4.138 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000024961976 563878164 /nfs/dbraw/zinc/87/81/64/563878164.db2.gz YCIDZBHUSZLIBA-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000024964189 563878185 /nfs/dbraw/zinc/87/81/85/563878185.db2.gz PVRMOXNRARLRJG-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN CCn1cnnc1-c1cccc(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000025281275 563882591 /nfs/dbraw/zinc/88/25/91/563882591.db2.gz RVBJXRZHPOSQSM-UHFFFAOYSA-N 0 0 344.777 4.010 50 0 EIAARN C[C@H](Cc1cccs1)NC(=O)c1csc(Cc2ccccc2)n1 ZINC000025300534 563882955 /nfs/dbraw/zinc/88/29/55/563882955.db2.gz GIUJSSMJCVMNGT-CYBMUJFWSA-N 0 0 342.489 4.156 50 0 EIAARN O=C(c1cc2ccccc2oc1=O)N(c1ccccn1)C1CCCCC1 ZINC000025354979 563883619 /nfs/dbraw/zinc/88/36/19/563883619.db2.gz NXTJVMYJWLCZCA-UHFFFAOYSA-N 0 0 348.402 4.168 50 0 EIAARN COc1cc(CNc2nc(-c3ccccc3)nc3ccccc32)ccn1 ZINC000025510256 563885416 /nfs/dbraw/zinc/88/54/16/563885416.db2.gz LAYHDYCFDYSQGI-UHFFFAOYSA-N 0 0 342.402 4.313 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCCO2)N1CCC[C@H]1c1cccs1 ZINC000043494251 563885827 /nfs/dbraw/zinc/88/58/27/563885827.db2.gz USFLUXUEMDHEGJ-AWEZNQCLSA-N 0 0 344.436 4.278 50 0 EIAARN C[C@H](NC(=O)c1ccccc1OCc1ccccc1Cl)C1CC1 ZINC000025770954 563888312 /nfs/dbraw/zinc/88/83/12/563888312.db2.gz TZPDVHDLQWJDJS-ZDUSSCGKSA-N 0 0 329.827 4.447 50 0 EIAARN O=C(CSc1nccn1-c1ccccc1)c1ccc2c(c1)CCC2 ZINC000026128004 563890144 /nfs/dbraw/zinc/89/01/44/563890144.db2.gz SLPYVHREJDRYNT-UHFFFAOYSA-N 0 0 334.444 4.336 50 0 EIAARN COc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000026128573 563890233 /nfs/dbraw/zinc/89/02/33/563890233.db2.gz WWZBOBIDKVSPOQ-CYBMUJFWSA-N 0 0 338.432 4.449 50 0 EIAARN Cc1ccc(C)c([C@H](C)Nc2cc(C)nc3nc(C(F)(F)F)nn32)c1 ZINC000026703495 563892802 /nfs/dbraw/zinc/89/28/02/563892802.db2.gz FHRSNVAIRAKCJP-LBPRGKRZSA-N 0 0 349.360 4.241 50 0 EIAARN CC(=O)Nc1ccc(-c2nc(Cc3csc(C)n3)sc2C)cc1 ZINC000026982000 563894443 /nfs/dbraw/zinc/89/44/43/563894443.db2.gz DLNSMJPARZFREY-UHFFFAOYSA-N 0 0 343.477 4.433 50 0 EIAARN CCOCc1ccccc1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000027373720 563895297 /nfs/dbraw/zinc/89/52/97/563895297.db2.gz ANBVSWNXHOSQMU-AWEZNQCLSA-N 0 0 346.858 4.437 50 0 EIAARN Cc1cccnc1NC(=O)COC(c1ccccc1)c1ccccc1 ZINC000027651083 563898132 /nfs/dbraw/zinc/89/81/32/563898132.db2.gz YUPSJPDTLFTGFD-UHFFFAOYSA-N 0 0 332.403 4.135 50 0 EIAARN CCc1nonc1NC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000027663378 563898393 /nfs/dbraw/zinc/89/83/93/563898393.db2.gz SGFYGDWDMUSJCU-UHFFFAOYSA-N 0 0 342.207 4.406 50 0 EIAARN CNc1snc(C)c1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000027671617 563898789 /nfs/dbraw/zinc/89/87/89/563898789.db2.gz CUFQCWVRNFAPPB-SSDOTTSWSA-N 0 0 344.267 4.291 50 0 EIAARN CC[C@@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000027680320 563898844 /nfs/dbraw/zinc/89/88/44/563898844.db2.gz GBMBIDADYYCRLI-OXJNMPFZSA-N 0 0 333.435 4.243 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccc(F)cc2)no1 ZINC000027990024 563900907 /nfs/dbraw/zinc/90/09/07/563900907.db2.gz MJBOSCISKVIUOH-UHFFFAOYSA-N 0 0 346.745 4.152 50 0 EIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Nc2ncccn2)c1 ZINC000028106584 563901421 /nfs/dbraw/zinc/90/14/21/563901421.db2.gz DNHPOBQZCGQJBC-UHFFFAOYSA-N 0 0 342.761 4.265 50 0 EIAARN Nc1cc(N)nc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 ZINC000032957861 563901721 /nfs/dbraw/zinc/90/17/21/563901721.db2.gz XUWWAFPUIBNXJY-MRXNPFEDSA-N 0 0 342.855 4.176 50 0 EIAARN Brc1ccc(Nc2nnc(-c3ccncc3)s2)cc1 ZINC000028637353 563903491 /nfs/dbraw/zinc/90/34/91/563903491.db2.gz RUZWPWIFEXPGGF-UHFFFAOYSA-N 0 0 333.214 4.106 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)COc2cc(C)ccc2C(C)C)no1 ZINC000029234493 563905241 /nfs/dbraw/zinc/90/52/41/563905241.db2.gz ANQLPBCGGGDNJY-GOSISDBHSA-N 0 0 342.439 4.157 50 0 EIAARN Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccccc1SC(F)F ZINC000072283373 563905950 /nfs/dbraw/zinc/90/59/50/563905950.db2.gz JOBZFBXOFXBBME-QMMMGPOBSA-N 0 0 341.383 4.489 50 0 EIAARN O=C(Oc1ccccc1Cc1ccccc1)[C@@H]1Cc2ccccc2O1 ZINC000029472158 563906494 /nfs/dbraw/zinc/90/64/94/563906494.db2.gz OJXPDPZXRNIRJA-NRFANRHFSA-N 0 0 330.383 4.187 50 0 EIAARN O=C(NCc1ccc(F)cc1)Nc1ccccc1SC(F)F ZINC000043552782 563906511 /nfs/dbraw/zinc/90/65/11/563906511.db2.gz SRCUCEHBOJCVDY-UHFFFAOYSA-N 0 0 326.343 4.462 50 0 EIAARN CC(C)n1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2c1=O ZINC000070666521 563907374 /nfs/dbraw/zinc/90/73/74/563907374.db2.gz WKVVCAJLCNXRPX-UHFFFAOYSA-N 0 0 345.402 4.316 50 0 biogenic EIAARN C[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000072291530 563909075 /nfs/dbraw/zinc/90/90/75/563909075.db2.gz YDFARVQEWUXWFW-IUODEOHRSA-N 0 0 342.826 4.211 50 0 EIAARN CC(C)(C)c1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 ZINC000030221212 563909575 /nfs/dbraw/zinc/90/95/75/563909575.db2.gz BKLPVUPCTGJMBD-UHFFFAOYSA-N 0 0 347.462 4.159 50 0 EIAARN Cc1cc(C)nc(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000030316243 563909696 /nfs/dbraw/zinc/90/96/96/563909696.db2.gz ZNUOVUVKMSHBLZ-ZDUSSCGKSA-N 0 0 349.887 4.059 50 0 EIAARN COc1cccc2c1N(C(=O)CSc1ccccc1Cl)CCC2 ZINC000030575659 563910009 /nfs/dbraw/zinc/91/00/09/563910009.db2.gz CNKKVLXRYINFHJ-UHFFFAOYSA-N 0 0 347.867 4.420 50 0 EIAARN O=c1ccn(Cc2csc(COc3ccccc3)n2)c2ccccc12 ZINC000072294837 563911660 /nfs/dbraw/zinc/91/16/60/563911660.db2.gz JWEYQXVKRNUSBQ-UHFFFAOYSA-N 0 0 348.427 4.085 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000033089051 563915387 /nfs/dbraw/zinc/91/53/87/563915387.db2.gz DJEYWHHWWCRGMB-UHFFFAOYSA-N 0 0 346.430 4.242 50 0 EIAARN Cc1noc(C)c1[C@H]1SC(C)=Nc2c1c(=O)[nH]n2C1CCCC1 ZINC000071284159 563915727 /nfs/dbraw/zinc/91/57/27/563915727.db2.gz IYRVCEJCVFPLOC-CQSZACIVSA-N 0 0 332.429 4.195 50 0 EIAARN Cc1nc(NC(=O)CCCc2nc3ccccc3s2)sc1C ZINC000071297149 563916375 /nfs/dbraw/zinc/91/63/75/563916375.db2.gz TUFZQXKQBXOFMJ-UHFFFAOYSA-N 0 0 331.466 4.331 50 0 EIAARN Cn1c(CCc2ccc(NC(=O)C3CCC3)cc2)nc2ccccc21 ZINC000032960807 563916682 /nfs/dbraw/zinc/91/66/82/563916682.db2.gz RESXMCCOWJYOHT-UHFFFAOYSA-N 0 0 333.435 4.097 50 0 EIAARN O=C(Nc1ccccc1Br)c1ccc(OC(F)F)cc1 ZINC000000137060 563916984 /nfs/dbraw/zinc/91/69/84/563916984.db2.gz DQIKVKWXMJODEM-UHFFFAOYSA-N 0 0 342.139 4.303 50 0 EIAARN CC1(C)C(c2ccccc2)=N[C@@H](c2ccc(Br)cc2)N1O ZINC000000275594 563917234 /nfs/dbraw/zinc/91/72/34/563917234.db2.gz DKJVLZWBRSUBKC-MRXNPFEDSA-N 0 0 345.240 4.420 50 0 EIAARN O=C(COC(=O)c1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000000472992 563917608 /nfs/dbraw/zinc/91/76/08/563917608.db2.gz PNGITVFRAAWATD-UHFFFAOYSA-N 0 0 345.128 4.311 50 0 EIAARN O=C(Cc1ccccc1)NN1c2ccccc2C[C@@H]1c1ccccc1 ZINC000001287967 563917961 /nfs/dbraw/zinc/91/79/61/563917961.db2.gz YCKLMGRILCWRKN-OAQYLSRUSA-N 0 0 328.415 4.064 50 0 EIAARN O=c1c2ccccc2ncn1CCCSc1ccc(Cl)cc1 ZINC000003000538 563918776 /nfs/dbraw/zinc/91/87/76/563918776.db2.gz WBTFXNQZJDGMPM-UHFFFAOYSA-N 0 0 330.840 4.232 50 0 EIAARN O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccccn1 ZINC000060237862 563918808 /nfs/dbraw/zinc/91/88/08/563918808.db2.gz ILEPTIXHWWBKOM-LJQANCHMSA-N 0 0 338.357 4.074 50 0 EIAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C(C)C)cc2)N1 ZINC000034685255 563919567 /nfs/dbraw/zinc/91/95/67/563919567.db2.gz PYFUFWIRRAVVMB-PMACEKPBSA-N 0 0 348.446 4.068 50 0 biogenic EIAARN O=C(NC1CCCCCCC1)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000032971455 563920153 /nfs/dbraw/zinc/92/01/53/563920153.db2.gz QOFYWQNWSTZYKK-UHFFFAOYSA-N 0 0 339.439 4.457 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Nc1ccccc1 ZINC000032973830 563920236 /nfs/dbraw/zinc/92/02/36/563920236.db2.gz LYGRMLZNYGWFSC-UHFFFAOYSA-N 0 0 332.359 4.411 50 0 EIAARN Cc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000013494954 563920868 /nfs/dbraw/zinc/92/08/68/563920868.db2.gz BOTHSKCAVDRFPG-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(NC(=O)NC(C)C)c3)no2)s1 ZINC000032996458 563921554 /nfs/dbraw/zinc/92/15/54/563921554.db2.gz XLNUGHSCFPHILG-UHFFFAOYSA-N 0 0 342.424 4.303 50 0 EIAARN Cc1csc(-c2ccc(CNC(=O)Cc3ccccc3F)cc2)n1 ZINC000097938075 563922682 /nfs/dbraw/zinc/92/26/82/563922682.db2.gz KIINBINIDQJCHE-UHFFFAOYSA-N 0 0 340.423 4.117 50 0 EIAARN O=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1ccccc1F ZINC000097938556 563923044 /nfs/dbraw/zinc/92/30/44/563923044.db2.gz ZZQPNSVBHYDWJP-UHFFFAOYSA-N 0 0 327.746 4.188 50 0 EIAARN CC(=O)c1cccc(Nc2nc3ccccc3c(N3CCCC3)n2)c1 ZINC000041148156 563924367 /nfs/dbraw/zinc/92/43/67/563924367.db2.gz PGBMBAJVIFKAPL-UHFFFAOYSA-N 0 0 332.407 4.176 50 0 EIAARN CN(C)P1Oc2cccc3c2C2(CC3)CCc3cccc(c32)O1 ZINC000043277607 563925492 /nfs/dbraw/zinc/92/54/92/563925492.db2.gz RIDZEECIONITMW-UHFFFAOYSA-N 0 0 325.348 4.425 50 0 EIAARN CCOC1CCN(C(=O)Nc2cccc(OC3CCCC3)c2C)CC1 ZINC000071857127 563928866 /nfs/dbraw/zinc/92/88/66/563928866.db2.gz KRZFXSSBCJPVFH-UHFFFAOYSA-N 0 0 346.471 4.349 50 0 EIAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@@H](C)C1 ZINC000071857092 563928889 /nfs/dbraw/zinc/92/88/89/563928889.db2.gz WNXLEPAWDVJLBN-CYBMUJFWSA-N 0 0 342.468 4.200 50 0 EIAARN C[C@H](Cc1ccc2ccccc2n1)Sc1nnnn1C1CCCC1 ZINC000072312952 563929383 /nfs/dbraw/zinc/92/93/83/563929383.db2.gz LBYDYOCVQUEIKL-CYBMUJFWSA-N 0 0 339.468 4.060 50 0 EIAARN CCCCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000013550832 563929997 /nfs/dbraw/zinc/92/99/97/563929997.db2.gz BQKMYYABSIILOE-GHAMAFACSA-N 0 0 349.430 4.357 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(NC2CCCC2)n1 ZINC000048284530 563930252 /nfs/dbraw/zinc/93/02/52/563930252.db2.gz VVSGTAPEYBNXRC-UHFFFAOYSA-N 0 0 333.439 4.301 50 0 EIAARN C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1nc2ccccc2[nH]1 ZINC000046322316 563930386 /nfs/dbraw/zinc/93/03/86/563930386.db2.gz XFFCYCZGLKQUBU-SNVBAGLBSA-N 0 0 338.798 4.189 50 0 EIAARN CCc1nc(CCNC(=O)c2oc3c(cccc3C)c2C)sc1C ZINC000060360334 563933451 /nfs/dbraw/zinc/93/34/51/563933451.db2.gz LGSPLXQHXWWHRI-UHFFFAOYSA-N 0 0 342.464 4.349 50 0 EIAARN CCCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000058003963 563936408 /nfs/dbraw/zinc/93/64/08/563936408.db2.gz VOEHMDMEAUJKIX-UHFFFAOYSA-N 0 0 336.844 4.136 50 0 EIAARN O=C(NOCc1ccccc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000058016357 563936728 /nfs/dbraw/zinc/93/67/28/563936728.db2.gz MYEFWVOLVNBWRN-UHFFFAOYSA-N 0 0 337.400 4.169 50 0 EIAARN COc1cc(NC(=O)c2cnc(-c3ccccc3)s2)cc(OC)c1 ZINC000058052155 563936953 /nfs/dbraw/zinc/93/69/53/563936953.db2.gz IKHOMTDEUIUOKL-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1 ZINC000058055713 563937089 /nfs/dbraw/zinc/93/70/89/563937089.db2.gz JUYZOLGLRZOSOO-UHFFFAOYSA-N 0 0 345.445 4.366 50 0 EIAARN O=C(CCCc1ncc(-c2ccccc2)o1)N1CCOc2ccccc21 ZINC000058105137 563937462 /nfs/dbraw/zinc/93/74/62/563937462.db2.gz CVMOROJIIDRVQU-UHFFFAOYSA-N 0 0 348.402 4.090 50 0 EIAARN CC(C)OCc1cccc(N[C@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000058158477 563938185 /nfs/dbraw/zinc/93/81/85/563938185.db2.gz BFGMBFMCRBKRJL-FQEVSTJZSA-N 0 0 338.451 4.043 50 0 EIAARN Cc1nc(S[C@H](C)c2cccc3ccccc32)sc1CC(N)=O ZINC000058159994 563938315 /nfs/dbraw/zinc/93/83/15/563938315.db2.gz KARKZVVTOPWETK-GFCCVEGCSA-N 0 0 342.489 4.486 50 0 EIAARN C[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000058167230 563938712 /nfs/dbraw/zinc/93/87/12/563938712.db2.gz WXNDFKXIAJAKMC-ZWNOBZJWSA-N 0 0 340.250 4.071 50 0 EIAARN O=C(Nc1ccccc1F)N(CCc1ccccc1)Cc1ccncc1 ZINC000058178764 563939183 /nfs/dbraw/zinc/93/91/83/563939183.db2.gz VYLOHWQVKZRUOC-UHFFFAOYSA-N 0 0 349.409 4.498 50 0 EIAARN CC1=NN(c2ccc(C(=O)NC[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000058190325 563939350 /nfs/dbraw/zinc/93/93/50/563939350.db2.gz VJSHAQAZQPQPPP-LJQANCHMSA-N 0 0 347.462 4.123 50 0 EIAARN CCSCCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000058197917 563939594 /nfs/dbraw/zinc/93/95/94/563939594.db2.gz PDWXAGHIRFBMPR-UHFFFAOYSA-N 0 0 334.466 4.082 50 0 EIAARN O=C(CC[S@@](=O)Cc1cccc2ccccc21)Nc1ccccc1 ZINC000058203497 563939828 /nfs/dbraw/zinc/93/98/28/563939828.db2.gz HLQHSUXEFAKACW-DEOSSOPVSA-N 0 0 337.444 4.117 50 0 EIAARN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc3[nH]ccc32)c1 ZINC000058218350 563940172 /nfs/dbraw/zinc/94/01/72/563940172.db2.gz BLGRQINMYLHBOA-WBMJQRKESA-N 0 0 333.391 4.015 50 0 EIAARN C[C@H](CC(=O)N1CCC[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000058222751 563940301 /nfs/dbraw/zinc/94/03/01/563940301.db2.gz YLWREEXYJAYJAH-AUUYWEPGSA-N 0 0 327.399 4.389 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccco1)c1cccc(F)c1 ZINC000058228682 563940487 /nfs/dbraw/zinc/94/04/87/563940487.db2.gz RFKCVUMRIBCFJD-LBPRGKRZSA-N 0 0 342.370 4.360 50 0 EIAARN COc1ccc(N(C)C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)cn1 ZINC000058270241 563941347 /nfs/dbraw/zinc/94/13/47/563941347.db2.gz AWUSQHFVLBGVQG-UHFFFAOYSA-N 0 0 338.451 4.082 50 0 EIAARN Cc1ccccc1-c1nnc(SCc2cn3ccsc3n2)o1 ZINC000058278543 563941465 /nfs/dbraw/zinc/94/14/65/563941465.db2.gz ZUXRHQHOPFUWKH-UHFFFAOYSA-N 0 0 328.422 4.047 50 0 EIAARN O=C(c1ccc[nH]c1=S)N1CC=C(c2cccc3ccccc32)CC1 ZINC000058282020 563941577 /nfs/dbraw/zinc/94/15/77/563941577.db2.gz WBHBIJJFWUVXGZ-UHFFFAOYSA-N 0 0 346.455 4.453 50 0 EIAARN COc1ccc(CNC(=O)[C@H](Sc2ccccc2)C(C)C)cc1 ZINC000058341740 563942914 /nfs/dbraw/zinc/94/29/14/563942914.db2.gz SWKIJYACHZJBCP-GOSISDBHSA-N 0 0 329.465 4.128 50 0 EIAARN COc1cccc2c1N(C(=O)c1sc(C(C)C)nc1C)CCC2 ZINC000058354621 563943290 /nfs/dbraw/zinc/94/32/90/563943290.db2.gz OOWGDNPMNBUKQE-UHFFFAOYSA-N 0 0 330.453 4.177 50 0 EIAARN O=c1c2sc(-c3ccccc3)cc2ncn1Cc1ccc(F)cc1 ZINC000058367935 563943993 /nfs/dbraw/zinc/94/39/93/563943993.db2.gz DPLRBLGKNLNZGY-UHFFFAOYSA-N 0 0 336.391 4.312 50 0 EIAARN CCc1c(C(=O)CN2CCC[C@H]2c2ccsc2)[nH]c(C)c1C(C)=O ZINC000058392669 563944612 /nfs/dbraw/zinc/94/46/12/563944612.db2.gz VNFJDFHRGPVOCF-INIZCTEOSA-N 0 0 344.480 4.169 50 0 EIAARN Cc1ccc2nc(NC(=O)[C@@H](c3ccccc3)n3cccn3)sc2c1 ZINC000058406469 563945043 /nfs/dbraw/zinc/94/50/43/563945043.db2.gz LQLQQRPOZBDDHQ-QGZVFWFLSA-N 0 0 348.431 4.029 50 0 EIAARN CC(C)(C)NC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000058406205 563945057 /nfs/dbraw/zinc/94/50/57/563945057.db2.gz VLCJITITNDILKF-UHFFFAOYSA-N 0 0 341.436 4.043 50 0 EIAARN CN(C)c1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1F ZINC000058417392 563945540 /nfs/dbraw/zinc/94/55/40/563945540.db2.gz GWPGNIKUDWQJDF-UHFFFAOYSA-N 0 0 330.403 4.147 50 0 EIAARN COc1c(CN[C@H](c2ccco2)c2ccccc2)c(C(C)C)nn1C ZINC000058419976 563945720 /nfs/dbraw/zinc/94/57/20/563945720.db2.gz ZKXMJQWRLSCZDQ-IBGZPJMESA-N 0 0 339.439 4.024 50 0 EIAARN COc1ccc(Nc2ccccc2C(=O)NC2CCSCC2)cc1 ZINC000058421113 563945845 /nfs/dbraw/zinc/94/58/45/563945845.db2.gz CPPMLDCCTDGXAN-UHFFFAOYSA-N 0 0 342.464 4.064 50 0 EIAARN CCn1ncc2ccc(NC(=O)COc3ccc4ccccc4c3)cc21 ZINC000058423494 563945850 /nfs/dbraw/zinc/94/58/50/563945850.db2.gz KYRZZOTYQBEXGK-UHFFFAOYSA-N 0 0 345.402 4.227 50 0 EIAARN C[C@@H]1CCCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000058428610 563946126 /nfs/dbraw/zinc/94/61/26/563946126.db2.gz KQBFEYGNARGRLA-CQSZACIVSA-N 0 0 332.444 4.296 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(N2CCCCC2)cc1 ZINC000058432921 563946229 /nfs/dbraw/zinc/94/62/29/563946229.db2.gz GZEJBSAJCWTNDE-VZUCSPMQSA-N 0 0 348.446 4.264 50 0 EIAARN CCCOc1cccc(NC(=O)N2CCC(n3cccc3)CC2)c1 ZINC000058618913 563946918 /nfs/dbraw/zinc/94/69/18/563946918.db2.gz DGMIQXNCOOFMLB-UHFFFAOYSA-N 0 0 327.428 4.146 50 0 EIAARN Cc1sc(-c2ccco2)nc1C(=O)N1CCc2ccc(F)cc21 ZINC000058742451 563947184 /nfs/dbraw/zinc/94/71/84/563947184.db2.gz ZDDJIDUZAYEFDM-UHFFFAOYSA-N 0 0 328.368 4.054 50 0 EIAARN Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)c(C)n1CC(F)(F)F ZINC000058901639 563947371 /nfs/dbraw/zinc/94/73/71/563947371.db2.gz MRYGIUSBWZCFCU-UHFFFAOYSA-N 0 0 349.356 4.079 50 0 EIAARN Clc1ccccc1CCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000058906129 563947380 /nfs/dbraw/zinc/94/73/80/563947380.db2.gz WAOMTGFQTISZAX-RMKNXTFCSA-N 0 0 340.898 4.214 50 0 EIAARN CN(C)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000059996911 563949560 /nfs/dbraw/zinc/94/95/60/563949560.db2.gz MAVMYICPMNWMJN-SFHVURJKSA-N 0 0 342.870 4.253 50 0 EIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccsc1)C1CC1 ZINC000060137874 563949728 /nfs/dbraw/zinc/94/97/28/563949728.db2.gz TVPLFNIOJTUHDH-LBPRGKRZSA-N 0 0 335.856 4.360 50 0 EIAARN CS[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000096411736 563950699 /nfs/dbraw/zinc/95/06/99/563950699.db2.gz XAPCLFDEDXQCHI-ABAIWWIYSA-N 0 0 349.887 4.145 50 0 EIAARN CC[C@@H](NC(=O)NCc1cccc(COC(C)C)c1)c1nccs1 ZINC000096415286 563951230 /nfs/dbraw/zinc/95/12/30/563951230.db2.gz ZIPJXGHLZDYVOU-MRXNPFEDSA-N 0 0 347.484 4.019 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000096417640 563951355 /nfs/dbraw/zinc/95/13/55/563951355.db2.gz JIVJLGKELBEYTC-KBPBESRZSA-N 0 0 339.395 4.364 50 0 EIAARN CCOc1ccc(-c2c3cc(Cl)ccc3[nH]c(=O)c2C(C)=O)cc1 ZINC000061957973 563951442 /nfs/dbraw/zinc/95/14/42/563951442.db2.gz VYWMRUBDVCAOFQ-UHFFFAOYSA-N 0 0 341.794 4.450 50 0 EIAARN CC[C@@H]1CN(CC(=O)NCc2cccc(C)c2)c2ccccc2S1 ZINC000033059333 563951796 /nfs/dbraw/zinc/95/17/96/563951796.db2.gz LUQTVKZGGCDDGJ-QGZVFWFLSA-N 0 0 340.492 4.002 50 0 EIAARN C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000096435211 563952434 /nfs/dbraw/zinc/95/24/34/563952434.db2.gz KRVULMFQLDMECL-CQSZACIVSA-N 0 0 345.468 4.058 50 0 EIAARN Cc1ncc(CNC(=O)Nc2cccc(COC(C)C)c2C)s1 ZINC000096435333 563952491 /nfs/dbraw/zinc/95/24/91/563952491.db2.gz HTXQXOSSHKUDGN-UHFFFAOYSA-N 0 0 333.457 4.007 50 0 EIAARN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCc2cscn2)o1 ZINC000096433269 563952846 /nfs/dbraw/zinc/95/28/46/563952846.db2.gz BQEKFOZILFVDTB-XJKSGUPXSA-N 0 0 332.469 4.231 50 0 EIAARN Cc1nc(C)c(CNC(=O)Nc2cccc(-c3nccs3)c2)s1 ZINC000096434231 563953023 /nfs/dbraw/zinc/95/30/23/563953023.db2.gz BHBVOXFFDRXZBC-UHFFFAOYSA-N 0 0 344.465 4.205 50 0 EIAARN CC(C)CNC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000033062471 563955180 /nfs/dbraw/zinc/95/51/80/563955180.db2.gz AVCTWMZFLYBSTN-GOSISDBHSA-N 0 0 335.451 4.255 50 0 EIAARN COCc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](C)c2cccs2)o1 ZINC000096503265 563956026 /nfs/dbraw/zinc/95/60/26/563956026.db2.gz WPTDRQWZLFDXQB-HIFRSBDPSA-N 0 0 348.468 4.138 50 0 EIAARN CCN(C)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2c(C)cccc12 ZINC000063855852 563956298 /nfs/dbraw/zinc/95/62/98/563956298.db2.gz ZTJGDOLKVJHAFP-UHFFFAOYSA-N 0 0 336.439 4.080 50 0 EIAARN Cc1ccc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)nn1 ZINC000065365738 563958234 /nfs/dbraw/zinc/95/82/34/563958234.db2.gz HAXOJAZTLFOHER-UHFFFAOYSA-N 0 0 337.358 4.312 50 0 EIAARN Cc1nc(C)c(Cn2cnc(-c3ccccc3)c2[C@H]2CCOC2)s1 ZINC000065371277 563958504 /nfs/dbraw/zinc/95/85/04/563958504.db2.gz KJENXDKCURTRPS-INIZCTEOSA-N 0 0 339.464 4.176 50 0 EIAARN CC(C)C[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2nccs2)O1 ZINC000065393865 563959528 /nfs/dbraw/zinc/95/95/28/563959528.db2.gz CECJSUAOXIKLPP-IKGGRYGDSA-N 0 0 344.480 4.208 50 0 EIAARN c1nc(-c2ccccc2)c(-c2cccc3c2OCO3)n1C[C@@H]1CCCO1 ZINC000065398488 563959840 /nfs/dbraw/zinc/95/98/40/563959840.db2.gz BMNSNRBHKMHWRC-INIZCTEOSA-N 0 0 348.402 4.125 50 0 EIAARN CCOc1cccc(CN(Cc2ccnc(C(C)C)n2)C2CC2)c1 ZINC000065451708 563961039 /nfs/dbraw/zinc/96/10/39/563961039.db2.gz HZSXPMCMYVFTGZ-UHFFFAOYSA-N 0 0 325.456 4.163 50 0 EIAARN Cc1nnc(Cn2cnc(-c3ccccc3)c2CCc2ccccc2)o1 ZINC000065488509 563961422 /nfs/dbraw/zinc/96/14/22/563961422.db2.gz YMWITGPESONONL-UHFFFAOYSA-N 0 0 344.418 4.075 50 0 EIAARN CNc1ccccc1C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 ZINC000065489076 563961524 /nfs/dbraw/zinc/96/15/24/563961524.db2.gz AWFLEZVQNMATES-QFIPXVFZSA-N 0 0 348.446 4.199 50 0 EIAARN CC[C@@H]1C[C@H](NC(=O)c2ccccc2)C[C@H](CCc2ccccc2)O1 ZINC000065501930 563961688 /nfs/dbraw/zinc/96/16/88/563961688.db2.gz FDJHFSGKQHUNHE-HBMCJLEFSA-N 0 0 337.463 4.375 50 0 EIAARN CCOc1c2cc(NC(=O)CC(C)C)ccc2sc1C(=O)OC ZINC000033123406 563963559 /nfs/dbraw/zinc/96/35/59/563963559.db2.gz ZOFBYRZWDUPFAS-UHFFFAOYSA-N 0 0 335.425 4.071 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)c(O)c1 ZINC000071419475 563964324 /nfs/dbraw/zinc/96/43/24/563964324.db2.gz JOEHMTRLKKWRAJ-MRXNPFEDSA-N 0 0 341.426 4.325 50 0 EIAARN Cc1nc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)c(C)o1 ZINC000071681434 563964695 /nfs/dbraw/zinc/96/46/95/563964695.db2.gz CQSOJJVXIISYTK-AWEZNQCLSA-N 0 0 348.393 4.055 50 0 EIAARN Cc1c(O)cccc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071746182 563964966 /nfs/dbraw/zinc/96/49/66/563964966.db2.gz ZGBOXXQJXIETAS-KRWDZBQOSA-N 0 0 341.426 4.325 50 0 EIAARN Cc1ccccc1-c1ncc(-c2nccn2CC[C@H]2CCCCO2)cn1 ZINC000071756996 563965262 /nfs/dbraw/zinc/96/52/62/563965262.db2.gz DTRQNSMQXLBSMZ-GOSISDBHSA-N 0 0 348.450 4.275 50 0 EIAARN Cc1ccccc1-c1ccccc1C(=O)N1CCC2(CCCO2)CC1 ZINC000071763767 563965473 /nfs/dbraw/zinc/96/54/73/563965473.db2.gz DFSIUQKXFIGIFN-UHFFFAOYSA-N 0 0 335.447 4.447 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccnc2)on1 ZINC000033250580 563966034 /nfs/dbraw/zinc/96/60/34/563966034.db2.gz XCFRAQQNAKKLDC-UHFFFAOYSA-N 0 0 333.269 4.008 50 0 EIAARN Nc1nc(Nc2ccccc2F)sc1C(=O)c1ccccc1Cl ZINC000033251693 563966088 /nfs/dbraw/zinc/96/60/88/563966088.db2.gz IWEJVOIWOPGFJY-UHFFFAOYSA-N 0 0 347.802 4.492 50 0 EIAARN CCCNC(=O)Nc1ccc(-c2noc(C3CCCCC3)n2)cc1 ZINC000033257144 563966159 /nfs/dbraw/zinc/96/61/59/563966159.db2.gz WLHNINLUXVMDFU-UHFFFAOYSA-N 0 0 328.416 4.316 50 0 EIAARN Cc1ncsc1C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097086537 563967374 /nfs/dbraw/zinc/96/73/74/563967374.db2.gz KDTUQUKKFLSFTG-LBPRGKRZSA-N 0 0 340.370 4.100 50 0 EIAARN COc1ccc([C@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 ZINC000000032433 563967735 /nfs/dbraw/zinc/96/77/35/563967735.db2.gz OPOFGSVKVBXFMJ-MRXNPFEDSA-N 0 0 342.445 4.084 50 0 EIAARN Cc1cnc([C@@H](C)CNC(=O)Nc2cccc(-c3ncco3)c2)s1 ZINC000097113481 563967917 /nfs/dbraw/zinc/96/79/17/563967917.db2.gz ICQXVHQCUFUDNL-NSHDSACASA-N 0 0 342.424 4.032 50 0 EIAARN CCS[C@H]1CCCC[C@@H]1NCc1nc(CCc2ccccc2)no1 ZINC000097165595 563968538 /nfs/dbraw/zinc/96/85/38/563968538.db2.gz WUMJHCRAWFMXRZ-IRXDYDNUSA-N 0 0 345.512 4.009 50 0 EIAARN Cc1nc([C@@H](C)N(C)Cc2nnc(-c3ccccc3)o2)c(C)s1 ZINC000077299333 563968770 /nfs/dbraw/zinc/96/87/70/563968770.db2.gz NRWIAFALJREVFS-LLVKDONJSA-N 0 0 328.441 4.003 50 0 EIAARN Cc1c2cccc(F)c2oc1C(=O)N(C)Cc1cnc2ccccc2n1 ZINC000077320381 563968920 /nfs/dbraw/zinc/96/89/20/563968920.db2.gz GBTDPEJHOJBQMZ-UHFFFAOYSA-N 0 0 349.365 4.096 50 0 EIAARN CCc1ncc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)cn1 ZINC000077339332 563969051 /nfs/dbraw/zinc/96/90/51/563969051.db2.gz HHGMHSWKKLOYML-UHFFFAOYSA-N 0 0 347.418 4.104 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N(C)CCC[C@@H]3CCCO3)c2c1 ZINC000077378808 563969276 /nfs/dbraw/zinc/96/92/76/563969276.db2.gz YNZSWPFARLZNNT-QGZVFWFLSA-N 0 0 340.467 4.137 50 0 EIAARN Cc1cccc(-c2nc(Cn3ccnc3-c3ccncc3)cs2)c1 ZINC000077423553 563969575 /nfs/dbraw/zinc/96/95/75/563969575.db2.gz AHSUPGGOXKKFBP-UHFFFAOYSA-N 0 0 332.432 4.425 50 0 EIAARN COc1cc(-n2ccnc2-c2cc3ccccc3o2)ccc1NC(C)=O ZINC000077424781 563969588 /nfs/dbraw/zinc/96/95/88/563969588.db2.gz VSRSTYGIBAXCCX-UHFFFAOYSA-N 0 0 347.374 4.253 50 0 EIAARN CSc1ncccc1C(=O)N1CCC[C@@H](c2ccccc2C)C1 ZINC000077505171 563970093 /nfs/dbraw/zinc/97/00/93/563970093.db2.gz HBTIFEMZSGHXIW-OAHLLOKOSA-N 0 0 326.465 4.132 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc3c(C)c(C)ccc23)no1 ZINC000077506030 563970095 /nfs/dbraw/zinc/97/00/95/563970095.db2.gz VWDLJLZUPNBEBA-IBGZPJMESA-N 0 0 349.434 4.434 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)c1 ZINC000077554269 563970347 /nfs/dbraw/zinc/97/03/47/563970347.db2.gz ONIMJANDVBHYFZ-HXUWFJFHSA-N 0 0 335.447 4.049 50 0 EIAARN CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCCc1cccs1 ZINC000082083234 563972020 /nfs/dbraw/zinc/97/20/20/563972020.db2.gz CDOKCAUJVDFEPF-QGZVFWFLSA-N 0 0 342.508 4.056 50 0 EIAARN O=C(c1cnn2ccccc12)N1CCCC[C@@H]1CCc1cccs1 ZINC000082092382 563972077 /nfs/dbraw/zinc/97/20/77/563972077.db2.gz FFWXCSVXPRILQX-OAHLLOKOSA-N 0 0 339.464 4.023 50 0 EIAARN Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000082092390 563972095 /nfs/dbraw/zinc/97/20/95/563972095.db2.gz MEPRGQSZFKYZEN-HNNXBMFYSA-N 0 0 349.837 4.069 50 0 EIAARN CN(C)c1ccccc1C(=O)N1CCCC[C@H]1CCc1cccs1 ZINC000082106865 563972286 /nfs/dbraw/zinc/97/22/86/563972286.db2.gz RWDYGKHTRVEKPP-INIZCTEOSA-N 0 0 342.508 4.442 50 0 EIAARN c1cn(CC2CC2)c(C2CCN(c3ccc4ccccc4n3)CC2)n1 ZINC000082107308 563972312 /nfs/dbraw/zinc/97/23/12/563972312.db2.gz ZCGJWGMRCRSYEC-UHFFFAOYSA-N 0 0 332.451 4.225 50 0 EIAARN C[C@@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CS1 ZINC000585140796 563973354 /nfs/dbraw/zinc/97/33/54/563973354.db2.gz JPSIQVAIYLTRAH-RHSMWYFYSA-N 0 0 333.501 4.400 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000033310979 563973532 /nfs/dbraw/zinc/97/35/32/563973532.db2.gz YXAOLWNQHPNMJK-TWGQIWQCSA-N 0 0 349.839 4.457 50 0 EIAARN COc1ccc(NC(=O)Nc2ccc3ccccc3n2)c2ncccc12 ZINC000033316550 563973613 /nfs/dbraw/zinc/97/36/13/563973613.db2.gz ZCHYOUDMLOPPMM-UHFFFAOYSA-N 0 0 344.374 4.436 50 0 EIAARN O=C(NC[C@H](c1ccco1)c1cccs1)c1ccc(F)c(F)c1 ZINC000585146738 563973976 /nfs/dbraw/zinc/97/39/76/563973976.db2.gz JZGRXUOYNQNYSE-GFCCVEGCSA-N 0 0 333.359 4.181 50 0 EIAARN c1ccc2c(c1)cccc2OCc1nc2c3ccccc3ncn2n1 ZINC000033327090 563974106 /nfs/dbraw/zinc/97/41/06/563974106.db2.gz LQLKUTMXJRDUGQ-UHFFFAOYSA-N 0 0 326.359 4.010 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000000077630 563974556 /nfs/dbraw/zinc/97/45/56/563974556.db2.gz HXBZXKCDLYGLFA-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 aggregator EIAARN O=C(Cc1ccccc1)Nc1cccc(-c2cn3ccccc3n2)c1 ZINC000000079422 563974581 /nfs/dbraw/zinc/97/45/81/563974581.db2.gz MEQWUYZHVSTUSY-UHFFFAOYSA-N 0 0 327.387 4.183 50 0 EIAARN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N(Cc1cccnc1)C1CC1 ZINC000091829310 563975776 /nfs/dbraw/zinc/97/57/76/563975776.db2.gz ISBRLKMSFHDKRC-UHFFFAOYSA-N 0 0 347.462 4.222 50 0 EIAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 ZINC000095504618 563977155 /nfs/dbraw/zinc/97/71/55/563977155.db2.gz BTRNDQQBLMALNJ-HNNXBMFYSA-N 0 0 331.485 4.073 50 0 EIAARN Cn1ccc2ccc(C(=O)N3CC[C@H](c4ccccc4Cl)C3)cc21 ZINC000095507285 563977202 /nfs/dbraw/zinc/97/72/02/563977202.db2.gz GRDPTXBJZFNHHQ-INIZCTEOSA-N 0 0 338.838 4.461 50 0 EIAARN COC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000095929093 563977776 /nfs/dbraw/zinc/97/77/76/563977776.db2.gz BTBOMKOXJVGBRU-UHFFFAOYSA-N 0 0 345.704 4.119 50 0 EIAARN CC(C)Sc1ccccc1NC(=O)NCCCNc1cccnc1 ZINC000096132542 563979381 /nfs/dbraw/zinc/97/93/81/563979381.db2.gz XCBDDKDICQZWQF-UHFFFAOYSA-N 0 0 344.484 4.206 50 0 EIAARN CCCSc1ccccc1NC(=O)N[C@H](CC)c1nc(C)c[nH]1 ZINC000096132591 563979392 /nfs/dbraw/zinc/97/93/92/563979392.db2.gz RTXXMCWHZAHVRF-CYBMUJFWSA-N 0 0 332.473 4.493 50 0 EIAARN Cc1cc2cccc(NC(=O)N(Cc3cnn(C)c3)CC(C)C)c2o1 ZINC000096151468 563979713 /nfs/dbraw/zinc/97/97/13/563979713.db2.gz NMNZYCXTAYBTMR-UHFFFAOYSA-N 0 0 340.427 4.165 50 0 EIAARN Cc1cc(OC(C)(C)c2nc([C@@H]3CCOC3)no2)cc(C)c1Cl ZINC000096180860 563980084 /nfs/dbraw/zinc/98/00/84/563980084.db2.gz LVBAIXRMYWFGEE-GFCCVEGCSA-N 0 0 336.819 4.158 50 0 EIAARN CCOC(=O)c1cnc2ccccc2c1Nc1cccc(C(C)=O)c1 ZINC000000098399 563981482 /nfs/dbraw/zinc/98/14/82/563981482.db2.gz YKJHTLAQAOQIEU-UHFFFAOYSA-N 0 0 334.375 4.358 50 0 EIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N([C@@H](C)C(C)C)C3CC3)c12 ZINC000046445535 563982614 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COCc1ccc(NC(=O)Nc2cnn(C3CCCC3)c2C)cc1 ZINC000252478411 563997623 /nfs/dbraw/zinc/99/76/23/563997623.db2.gz ALVWZPOIQOFODO-UHFFFAOYSA-N 0 0 328.416 4.097 50 0 EIAARN C[C@@H](Oc1ccc(C(=O)NCc2cccnc2)cc1)c1ccccc1 ZINC000252484537 563997702 /nfs/dbraw/zinc/99/77/02/563997702.db2.gz FYVYMIBVRVJKAM-MRXNPFEDSA-N 0 0 332.403 4.152 50 0 EIAARN COc1ccc(Cl)cc1-n1nnnc1-c1ccc(C(C)(C)C)cc1 ZINC000000411266 563998044 /nfs/dbraw/zinc/99/80/44/563998044.db2.gz VAXNFMNQFJYWBE-UHFFFAOYSA-N 0 0 342.830 4.289 50 0 EIAARN Cc1cc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)no1 ZINC000000416377 563998125 /nfs/dbraw/zinc/99/81/25/563998125.db2.gz LTPYRGBZIUIASV-UHFFFAOYSA-N 0 0 341.436 4.187 50 0 EIAARN Cc1cc2cc([C@H]3Nc4ccccc4C(=O)N3)c(Cl)nc2cc1C ZINC000000421626 563998298 /nfs/dbraw/zinc/99/82/98/563998298.db2.gz WMOYNROIDZYCCB-SFHVURJKSA-N 0 0 337.810 4.359 50 0 EIAARN COc1ccc([C@H]2SCC(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000000423931 563998414 /nfs/dbraw/zinc/99/84/14/563998414.db2.gz YSUHSAGJUAOXAI-QGZVFWFLSA-N 0 0 349.839 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338.432 4.409 50 0 EIAARN C[C@H](NC(=O)N(CC1CC1)CC1CC1)c1nc(C2CCCCC2)no1 ZINC000080573873 564001072 /nfs/dbraw/zinc/00/10/72/564001072.db2.gz NKSJIHLQFGQETD-ZDUSSCGKSA-N 0 0 346.475 4.010 50 0 EIAARN Cc1ccc([S@@](=O)CCOc2ccc(Cl)cc2Cl)cc1 ZINC000005218282 564001157 /nfs/dbraw/zinc/00/11/57/564001157.db2.gz VDLISDFVIAMHSK-HXUWFJFHSA-N 0 0 329.248 4.488 50 0 EIAARN COc1ccc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nn1 ZINC000005259568 564001769 /nfs/dbraw/zinc/00/17/69/564001769.db2.gz ODBNQFQEGMWIIU-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nn1 ZINC000005259569 564001774 /nfs/dbraw/zinc/00/17/74/564001774.db2.gz NXIYMWQDVYYJMX-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN Cc1cccc(Cn2cccc(C(=O)Nc3cc(C)cc(C)c3)c2=O)c1 ZINC000005269708 564002206 /nfs/dbraw/zinc/00/22/06/564002206.db2.gz PDILTKUOLVSWMQ-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Cc1ccc(Cn2cccc(C(=O)Nc3cc(C)ccc3C)c2=O)cc1 ZINC000005270179 564002222 /nfs/dbraw/zinc/00/22/22/564002222.db2.gz VPYKCCVIICEJRN-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN CSc1ccc2nc(NC(=O)COc3ccccc3)sc2c1 ZINC000005299165 564002496 /nfs/dbraw/zinc/00/24/96/564002496.db2.gz NBQCQZYODULTLB-UHFFFAOYSA-N 0 0 330.434 4.036 50 0 EIAARN CSc1cccc2sc(NC(=O)CCOc3ccccc3)nc21 ZINC000005299241 564002497 /nfs/dbraw/zinc/00/24/97/564002497.db2.gz PNSXKPTWWSAUPX-UHFFFAOYSA-N 0 0 344.461 4.426 50 0 EIAARN O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(Cl)cc1 ZINC000005441669 564004058 /nfs/dbraw/zinc/00/40/58/564004058.db2.gz DPSVINXHYPJIKW-UHFFFAOYSA-N 0 0 328.799 4.109 50 0 EIAARN O=C([C@@H](Sc1nc2ccccc2o1)c1ccccc1)N1CCCC1 ZINC000005457710 564004346 /nfs/dbraw/zinc/00/43/46/564004346.db2.gz YITZIYJDVOPITE-KRWDZBQOSA-N 0 0 338.432 4.284 50 0 EIAARN CC[C@@H](C(=O)Nc1sc(C)c(C)c1C(=O)OC)c1ccccc1 ZINC000005476833 564004498 /nfs/dbraw/zinc/00/44/98/564004498.db2.gz XZAVKDZCYZDJQW-CQSZACIVSA-N 0 0 331.437 4.284 50 0 EIAARN COc1ccc2oc(C(=O)Nc3ccc(OC)cc3OC)c(C)c2c1 ZINC000003517150 564004636 /nfs/dbraw/zinc/00/46/36/564004636.db2.gz QSHVRWBXTASBHH-UHFFFAOYSA-N 0 0 341.363 4.019 50 0 EIAARN Cc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c(C)c1 ZINC000005484685 564004655 /nfs/dbraw/zinc/00/46/55/564004655.db2.gz PYIJCIKLJFUMCB-UHFFFAOYSA-N 0 0 335.403 4.383 50 0 EIAARN COc1cc(C(=O)Nc2cccc(SC)c2)ccc1OC(F)F ZINC000005560230 564005359 /nfs/dbraw/zinc/00/53/59/564005359.db2.gz GLFVXPNUIKWNGD-UHFFFAOYSA-N 0 0 339.363 4.271 50 0 EIAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2C)c1 ZINC000005583605 564005912 /nfs/dbraw/zinc/00/59/12/564005912.db2.gz DVRFUKMZXHJFAB-UHFFFAOYSA-N 0 0 342.464 4.219 50 0 EIAARN CC[C@@H]1C[C@@H](CC(=O)NCc2nc(-c3ccccc3)cs2)CCO1 ZINC000272722122 564007465 /nfs/dbraw/zinc/00/74/65/564007465.db2.gz AGLAZOCELLDHRM-GOEBONIOSA-N 0 0 344.480 4.022 50 0 EIAARN Cc1c(=O)c2cccc(C(=O)N3CCCCC3)c2oc1-c1ccccc1 ZINC000017320246 564011655 /nfs/dbraw/zinc/01/16/55/564011655.db2.gz HQGGRZZPVOBAOV-UHFFFAOYSA-N 0 0 347.414 4.395 50 0 EIAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000000505685 564012500 /nfs/dbraw/zinc/01/25/00/564012500.db2.gz IWLWXIFVVMXNNL-OAHLLOKOSA-N 0 0 326.440 4.284 50 0 EIAARN COC(=O)c1sccc1NC(=O)c1c(Cl)cccc1Cl ZINC000000434019 564012610 /nfs/dbraw/zinc/01/26/10/564012610.db2.gz QRDQRRILVHJBQB-UHFFFAOYSA-N 0 0 330.192 4.094 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000000450583 564012643 /nfs/dbraw/zinc/01/26/43/564012643.db2.gz OANRMXWORHWCBM-CYBMUJFWSA-N 0 0 332.241 4.200 50 0 EIAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000002052388 564013245 /nfs/dbraw/zinc/01/32/45/564013245.db2.gz UDDCZTUCUZWFLA-UHFFFAOYSA-N 0 0 331.799 4.468 50 0 EIAARN O=C(CCCc1nc2ccccc2s1)NCCc1cccs1 ZINC000017909607 564013247 /nfs/dbraw/zinc/01/32/47/564013247.db2.gz JFRGYYVNYVNGKU-UHFFFAOYSA-N 0 0 330.478 4.039 50 0 EIAARN Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000046650268 564013495 /nfs/dbraw/zinc/01/34/95/564013495.db2.gz FZWFSKOUZQJNBU-XJKSGUPXSA-N 0 0 348.402 4.044 50 0 EIAARN C[C@]1(c2ccc(Br)cc2)NN=C(c2ccccc2)S1 ZINC000002920300 564013511 /nfs/dbraw/zinc/01/35/11/564013511.db2.gz JWIKUYGTKQWIEZ-HNNXBMFYSA-N 0 0 333.254 4.320 50 0 EIAARN COc1ccccc1OCCSc1nc2ccc(N)cc2s1 ZINC000005738979 564014208 /nfs/dbraw/zinc/01/42/08/564014208.db2.gz UFXSFWBGDUHGRM-UHFFFAOYSA-N 0 0 332.450 4.058 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)NCC1(c2ccccc2)CC1 ZINC000014728873 564014439 /nfs/dbraw/zinc/01/44/39/564014439.db2.gz SYFPYBBTAQAFEV-UHFFFAOYSA-N 0 0 332.447 4.339 50 0 EIAARN Cc1ccc(C)c(NC(=O)Cc2noc(-c3cccc(Cl)c3)n2)c1 ZINC000016578751 564014477 /nfs/dbraw/zinc/01/44/77/564014477.db2.gz VQUASEWESLDLQI-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN CC[C@@H](C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 ZINC000585148049 564014767 /nfs/dbraw/zinc/01/47/67/564014767.db2.gz MWXGBDJHJGLFEB-WOJBJXKFSA-N 0 0 349.430 4.290 50 0 EIAARN CCOC(=O)c1c2ccccc2sc1NC(=O)c1ccccc1 ZINC000000484044 564016864 /nfs/dbraw/zinc/01/68/64/564016864.db2.gz TVHMRVBYVBVMES-UHFFFAOYSA-N 0 0 325.389 4.330 50 0 EIAARN CCOc1ccc(/C=C\C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005673363 564017897 /nfs/dbraw/zinc/01/78/97/564017897.db2.gz WSOYRFHPKJQNTM-YVMONPNESA-N 0 0 325.452 4.184 50 0 EIAARN COc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)C(C)C)cc1 ZINC000018087885 564017940 /nfs/dbraw/zinc/01/79/40/564017940.db2.gz BRHFIQDOCGVRQC-IBGZPJMESA-N 0 0 331.843 4.405 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)c1ccccc1Cl ZINC000005679132 564018246 /nfs/dbraw/zinc/01/82/46/564018246.db2.gz GOXXHOPCHVKVAH-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN O=C(Nc1ccc(Br)cc1)Nc1ccc(F)cc1F ZINC000018176732 564018553 /nfs/dbraw/zinc/01/85/53/564018553.db2.gz BPZWIFLZCJLYTA-UHFFFAOYSA-N 0 0 327.128 4.371 50 0 EIAARN c1ccc(-n2c(SCc3ccccn3)nnc2-c2ccncc2)cc1 ZINC000018196132 564018688 /nfs/dbraw/zinc/01/86/88/564018688.db2.gz PCLZVCLROYHVSG-UHFFFAOYSA-N 0 0 345.431 4.017 50 0 EIAARN Cc1cc(C)cc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)c1 ZINC000018203825 564018773 /nfs/dbraw/zinc/01/87/73/564018773.db2.gz GVDFDKDEHCKXDH-AWEZNQCLSA-N 0 0 333.391 4.343 50 0 EIAARN COc1ccccc1CC(=O)Nc1cccc(C2SCCS2)c1 ZINC000018216212 564018842 /nfs/dbraw/zinc/01/88/42/564018842.db2.gz ZBUNXOREZIUAPU-UHFFFAOYSA-N 0 0 345.489 4.355 50 0 EIAARN C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000005689764 564018948 /nfs/dbraw/zinc/01/89/48/564018948.db2.gz AJYVRGFCLPQLCT-LLVKDONJSA-N 0 0 340.370 4.070 50 0 EIAARN CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(C)=O)c2ccccc21 ZINC000000501292 564019035 /nfs/dbraw/zinc/01/90/35/564019035.db2.gz PZHDWFPWEPUINQ-MGPUTAFESA-N 0 0 336.435 4.316 50 0 EIAARN C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1cccc(Cl)c1 ZINC000018264502 564019046 /nfs/dbraw/zinc/01/90/46/564019046.db2.gz RKBAQWSJYCZYND-LBPRGKRZSA-N 0 0 341.794 4.178 50 0 EIAARN CCN(C(=O)COC(=O)c1cccs1)c1cccc2ccccc21 ZINC000005699280 564019310 /nfs/dbraw/zinc/01/93/10/564019310.db2.gz YMGDLMQXGLPSIZ-UHFFFAOYSA-N 0 0 339.416 4.111 50 0 EIAARN CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1C ZINC000000518904 564020498 /nfs/dbraw/zinc/02/04/98/564020498.db2.gz ZBLWPDSCUAIOFL-UHFFFAOYSA-N 0 0 344.750 4.472 50 0 biogenic EIAARN CCCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000013895738 564020713 /nfs/dbraw/zinc/02/07/13/564020713.db2.gz BNOLFOWFYPHRSU-UHFFFAOYSA-N 0 0 341.407 4.295 50 0 EIAARN C[C@@H]1CCN(Cc2nc(-c3cccnc3)no2)c2ccccc2S1 ZINC000120490185 564020863 /nfs/dbraw/zinc/02/08/63/564020863.db2.gz JJDKVGPBPWFMSL-CYBMUJFWSA-N 0 0 338.436 4.023 50 0 EIAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccncc2)o1 ZINC000000522447 564021104 /nfs/dbraw/zinc/02/11/04/564021104.db2.gz HDOHYFBYRAKYJQ-XLIONFOSSA-N 0 0 331.375 4.225 50 0 EIAARN CCSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 ZINC000000527421 564021261 /nfs/dbraw/zinc/02/12/61/564021261.db2.gz KHGUEROQGRRCPC-UHFFFAOYSA-N 0 0 344.461 4.426 50 0 EIAARN O=CN1Cc2[nH]c3ccccc3c2N(c2ccc(Cl)cc2)C1=O ZINC000000527872 564021285 /nfs/dbraw/zinc/02/12/85/564021285.db2.gz IFBCMEZZZVSJEL-UHFFFAOYSA-N 0 0 325.755 4.051 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)CCC2 ZINC000014252966 564021684 /nfs/dbraw/zinc/02/16/84/564021684.db2.gz XROJWSRQOWERQY-UHFFFAOYSA-N 0 0 334.188 4.329 50 0 EIAARN CCN(CC)c1ccc(-c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000000537727 564022071 /nfs/dbraw/zinc/02/20/71/564022071.db2.gz BQAMGEYVBNIHIV-UHFFFAOYSA-N 0 0 349.463 4.366 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccccc2C)c(C)c1 ZINC000000536076 564022174 /nfs/dbraw/zinc/02/21/74/564022174.db2.gz XBURUSQUSBRXFI-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N4CCOCC4)c3c2C1 ZINC000000547818 564022817 /nfs/dbraw/zinc/02/28/17/564022817.db2.gz FDFGRMZBWCYFJZ-CYBMUJFWSA-N 0 0 345.512 4.069 50 0 EIAARN CCc1ccc2nc(NC(=O)c3cn4c(cccc4C)n3)sc2c1 ZINC000014794396 564023866 /nfs/dbraw/zinc/02/38/66/564023866.db2.gz CKXGOCHGHSSMBY-UHFFFAOYSA-N 0 0 336.420 4.067 50 0 EIAARN COC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccccc3)o2)c1 ZINC000014788321 564023873 /nfs/dbraw/zinc/02/38/73/564023873.db2.gz BOZNXTHXDPQVOF-UHFFFAOYSA-N 0 0 349.386 4.305 50 0 EIAARN Cc1noc2ncnc(Oc3ccc(Cl)cc3Br)c12 ZINC000005724640 564024079 /nfs/dbraw/zinc/02/40/79/564024079.db2.gz GQJQWWQDMPCIQN-UHFFFAOYSA-N 0 0 340.564 4.134 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000005729378 564024207 /nfs/dbraw/zinc/02/42/07/564024207.db2.gz URVTWQTWQMNXDI-UHFFFAOYSA-N 0 0 343.370 4.431 50 0 EIAARN O=C(CCc1ccccn1)Nc1ccc(Br)cc1Cl ZINC000062864511 564024707 /nfs/dbraw/zinc/02/47/07/564024707.db2.gz QIXPGUBZUTYRFQ-UHFFFAOYSA-N 0 0 339.620 4.069 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)C(F)(F)F)cc1 ZINC000005750495 564025106 /nfs/dbraw/zinc/02/51/06/564025106.db2.gz CNYGYOLNXCXAQQ-UHFFFAOYSA-N 0 0 341.716 4.015 50 0 EIAARN CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(OC)cc1 ZINC000024595420 564025364 /nfs/dbraw/zinc/02/53/64/564025364.db2.gz QHZUCDXZXTWNQQ-HNAYVOBHSA-N 0 0 327.424 4.038 50 0 EIAARN O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000105934378 564025371 /nfs/dbraw/zinc/02/53/71/564025371.db2.gz UIQMSGQVYZXARC-YESZJQIVSA-N 0 0 332.513 4.066 50 0 EIAARN COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)c(OC)c1OC ZINC000046837473 564025409 /nfs/dbraw/zinc/02/54/09/564025409.db2.gz LAOHZYIPHZJICH-JTQLQIEISA-N 0 0 341.860 4.278 50 0 EIAARN COc1cccc(-c2cc(-c3nc(-c4cccc(C)c4)no3)n[nH]2)c1 ZINC000046914032 564025520 /nfs/dbraw/zinc/02/55/20/564025520.db2.gz FUVRWIWZNXZNOM-UHFFFAOYSA-N 0 0 332.363 4.111 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(-c2nnco2)cc1 ZINC000047256562 564026002 /nfs/dbraw/zinc/02/60/02/564026002.db2.gz MUZOXHKADIKZSC-UHFFFAOYSA-N 0 0 346.390 4.179 50 0 EIAARN CCOc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000047339053 564026164 /nfs/dbraw/zinc/02/61/64/564026164.db2.gz BJHPRBFGPURCCI-UHFFFAOYSA-N 0 0 341.798 4.381 50 0 EIAARN CCCc1nnc(NC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)s1 ZINC000047378536 564026190 /nfs/dbraw/zinc/02/61/90/564026190.db2.gz KUTBPIVECNMMBH-NSHDSACASA-N 0 0 336.436 4.245 50 0 EIAARN CCN(C(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000047388705 564026215 /nfs/dbraw/zinc/02/62/15/564026215.db2.gz DCTYVCWGZTYGBE-ZDUSSCGKSA-N 0 0 343.402 4.399 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)o1 ZINC000047407662 564026256 /nfs/dbraw/zinc/02/62/56/564026256.db2.gz XOMABLMXHAGWJI-UHFFFAOYSA-N 0 0 332.403 4.403 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000106523362 564026429 /nfs/dbraw/zinc/02/64/29/564026429.db2.gz YPWKBTDVBFAZMU-QGTPRVQTSA-N 0 0 346.471 4.129 50 0 EIAARN Cc1cc(=O)c(C(=O)N([C@H](C)c2ccc3ccccc3c2)C2CC2)c[nH]1 ZINC000081291320 564026602 /nfs/dbraw/zinc/02/66/02/564026602.db2.gz QBXYCRVIGYVFDW-OAHLLOKOSA-N 0 0 346.430 4.202 50 0 EIAARN Cc1ccc2c(C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)c(C(=O)[O-])n(C)c2c1 ZINC000106887555 564026722 /nfs/dbraw/zinc/02/67/22/564026722.db2.gz PDEALKVJTHNUOT-JJRVBVJISA-N 0 0 328.456 4.099 50 0 EIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2nc(C3CCCC3)no2)s1 ZINC000107584688 564027017 /nfs/dbraw/zinc/02/70/17/564027017.db2.gz XYRNPNFLVXPCSS-MRVWCRGKSA-N 0 0 345.468 4.078 50 0 EIAARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1cccs1)SCC(=O)N2 ZINC000044900704 564027607 /nfs/dbraw/zinc/02/76/07/564027607.db2.gz OKVGSUAHGUTBJK-OAHLLOKOSA-N 0 0 342.449 4.061 50 0 EIAARN CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ncc(CC)s2)C1 ZINC000108103214 564027741 /nfs/dbraw/zinc/02/77/41/564027741.db2.gz TVHKJWNROUUXJB-YRGRVCCFSA-N 0 0 341.546 4.082 50 0 EIAARN C[C@@H](NC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1cccnc1 ZINC000044951414 564027858 /nfs/dbraw/zinc/02/78/58/564027858.db2.gz BTXXTURTBNVIJF-ABAIWWIYSA-N 0 0 347.871 4.332 50 0 EIAARN COc1ccc(CC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045152853 564028193 /nfs/dbraw/zinc/02/81/93/564028193.db2.gz GPITZVHPGGJQNJ-SFHVURJKSA-N 0 0 329.827 4.255 50 0 EIAARN Cc1ccc(-c2nc(CS(=O)(=O)Cc3ccccc3)cs2)cc1 ZINC000045295254 564028357 /nfs/dbraw/zinc/02/83/57/564028357.db2.gz JYQUFJWAXIHLBP-UHFFFAOYSA-N 0 0 343.473 4.234 50 0 EIAARN CN1CCc2c(c3cc(F)ccc3n2CCc2ccc(F)cc2)C1 ZINC000045336541 564028388 /nfs/dbraw/zinc/02/83/88/564028388.db2.gz ZICYHDBHDOKGNT-UHFFFAOYSA-N 0 0 326.390 4.150 50 0 EIAARN Cc1ccc(CNc2nc3ccccc3nc2C(=O)OCC(C)C)cc1 ZINC000045901691 564028827 /nfs/dbraw/zinc/02/88/27/564028827.db2.gz ZHEIULCYSQWKJT-UHFFFAOYSA-N 0 0 349.434 4.363 50 0 EIAARN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc(-c2ccccc2)c[nH]1 ZINC000045927492 564028934 /nfs/dbraw/zinc/02/89/34/564028934.db2.gz SOXFKDMZIAYACE-HOCLYGCPSA-N 0 0 343.496 4.348 50 0 EIAARN O=C(Nc1cccc(-c2nnco2)c1)N1CCC[C@H]1c1ccsc1 ZINC000046003966 564029072 /nfs/dbraw/zinc/02/90/72/564029072.db2.gz SFCIAOYICODNKJ-HNNXBMFYSA-N 0 0 340.408 4.167 50 0 EIAARN Cc1cccc([C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000046018157 564029239 /nfs/dbraw/zinc/02/92/39/564029239.db2.gz VNABEMDAXKVVAG-LJQANCHMSA-N 0 0 343.492 4.446 50 0 EIAARN COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 ZINC000046018432 564029257 /nfs/dbraw/zinc/02/92/57/564029257.db2.gz IOICPEYILKPDGN-SFHVURJKSA-N 0 0 340.423 4.381 50 0 EIAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2ccccc2Cl)c1C ZINC000046045876 564029331 /nfs/dbraw/zinc/02/93/31/564029331.db2.gz WTSOINXZKVJFTM-UHFFFAOYSA-N 0 0 348.830 4.033 50 0 EIAARN C[C@@H](NC(=O)Nc1cccc(OC(F)F)c1)c1ccc(F)c(F)c1 ZINC000047906681 564029782 /nfs/dbraw/zinc/02/97/82/564029782.db2.gz TXIYQVWRVMIJLN-SECBINFHSA-N 0 0 342.292 4.449 50 0 EIAARN O=C(NCc1ccoc1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000048162737 564029955 /nfs/dbraw/zinc/02/99/55/564029955.db2.gz JOOBDOPOASEHFJ-UHFFFAOYSA-N 0 0 340.354 4.319 50 0 EIAARN O=S(=O)(CCCSc1nc2ccccc2s1)c1ccccc1 ZINC000048186790 564029996 /nfs/dbraw/zinc/02/99/96/564029996.db2.gz ZJEGUUSDFXPCGT-UHFFFAOYSA-N 0 0 349.502 4.252 50 0 EIAARN CC(C)(C)c1ccc(O)c(NC(=O)c2ccn(-c3ccccc3)n2)c1 ZINC000048234632 564030129 /nfs/dbraw/zinc/03/01/29/564030129.db2.gz FNVAZEAZPXUBDV-UHFFFAOYSA-N 0 0 335.407 4.128 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000017003563 564030423 /nfs/dbraw/zinc/03/04/23/564030423.db2.gz WGYHVQYXJNPQAA-NLKQXVMISA-N 0 0 332.484 4.099 50 0 EIAARN O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc2ccccc2o1 ZINC000048252322 564030468 /nfs/dbraw/zinc/03/04/68/564030468.db2.gz SIUBDJJJGSXUSP-UHFFFAOYSA-N 0 0 349.434 4.138 50 0 EIAARN CC(C)COc1cccc(C(=O)NCc2cnc3ccccc3c2)c1 ZINC000048300818 564030814 /nfs/dbraw/zinc/03/08/14/564030814.db2.gz YZKZLASEGZWXJR-UHFFFAOYSA-N 0 0 334.419 4.200 50 0 EIAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1SC(F)F ZINC000048302160 564030883 /nfs/dbraw/zinc/03/08/83/564030883.db2.gz GMWQIMMJZBQMRB-UHFFFAOYSA-N 0 0 347.383 4.250 50 0 EIAARN Cc1ccccc1-n1ccnc1SCc1noc(CC(C)C)n1 ZINC000048324163 564030903 /nfs/dbraw/zinc/03/09/03/564030903.db2.gz ANNZTGFFROXXBT-UHFFFAOYSA-N 0 0 328.441 4.055 50 0 EIAARN O=C(Nc1ccn(Cc2ccccc2)n1)NC1CCCCCCC1 ZINC000048324821 564030952 /nfs/dbraw/zinc/03/09/52/564030952.db2.gz MSUSJXVIVSQDQJ-UHFFFAOYSA-N 0 0 326.444 4.166 50 0 EIAARN C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)c1nc(C(C)(C)C)no1 ZINC000048325778 564030984 /nfs/dbraw/zinc/03/09/84/564030984.db2.gz DOFJQTWGBOQLIX-SNVBAGLBSA-N 0 0 329.429 4.006 50 0 EIAARN COc1ccc(Nc2ccccc2C(=O)Nc2cccc(C)n2)cc1 ZINC000048333393 564031118 /nfs/dbraw/zinc/03/11/18/564031118.db2.gz WZOPLCRWMGOBJF-UHFFFAOYSA-N 0 0 333.391 4.395 50 0 EIAARN COC(=O)c1ccc(CN(C)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000048326913 564031153 /nfs/dbraw/zinc/03/11/53/564031153.db2.gz GRUBHXGRAFOHHR-UHFFFAOYSA-N 0 0 340.423 4.261 50 0 EIAARN O=C(NCc1cccs1)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC000048343557 564031273 /nfs/dbraw/zinc/03/12/73/564031273.db2.gz DAGICAUJKVQNTH-UHFFFAOYSA-N 0 0 343.383 4.396 50 0 EIAARN CC(C)c1nc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000048354313 564031367 /nfs/dbraw/zinc/03/13/67/564031367.db2.gz FRWNDUHUMKUVJA-AWEZNQCLSA-N 0 0 341.484 4.040 50 0 EIAARN O=C(CSc1ccc(F)cc1)NCCSCc1ccsc1 ZINC000048356161 564031393 /nfs/dbraw/zinc/03/13/93/564031393.db2.gz NTLCELMQKXXMTM-UHFFFAOYSA-N 0 0 341.498 4.029 50 0 EIAARN COC(=O)c1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000048361466 564031418 /nfs/dbraw/zinc/03/14/18/564031418.db2.gz FRIKKKJMZHRFDU-UHFFFAOYSA-N 0 0 342.782 4.394 50 0 EIAARN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000048365508 564031509 /nfs/dbraw/zinc/03/15/09/564031509.db2.gz OGFXTPSZWGZILV-NSHDSACASA-N 0 0 347.365 4.061 50 0 EIAARN CCCOc1ccc([C@H](C)NC(=O)c2ccc(C)s2)cc1OC ZINC000048500829 564031934 /nfs/dbraw/zinc/03/19/34/564031934.db2.gz FPFSEMUKSYTAOZ-ZDUSSCGKSA-N 0 0 333.453 4.345 50 0 EIAARN Cc1nccn1-c1ccc(CNCc2ccc(Cl)cc2Cl)cn1 ZINC000048782434 564032174 /nfs/dbraw/zinc/03/21/74/564032174.db2.gz IEYKSWGFLGYPJV-UHFFFAOYSA-N 0 0 347.249 4.172 50 0 EIAARN FC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1 ZINC000114879021 564033022 /nfs/dbraw/zinc/03/30/22/564033022.db2.gz FEVBKJITJDHASC-UHFFFAOYSA-N 0 0 347.218 4.314 50 0 in-vitro EIAARN C[C@@H]1Cn2c(C(=O)NCc3ccccc3)cc3c2c(ccc3Cl)O1 ZINC000006750813 564033416 /nfs/dbraw/zinc/03/34/16/564033416.db2.gz CJIHGYVCMLCCNH-GFCCVEGCSA-N 0 0 340.810 4.006 50 0 EIAARN COCCNc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C)s1 ZINC000007737293 564034426 /nfs/dbraw/zinc/03/44/26/564034426.db2.gz UOSUCSVDASBISK-UHFFFAOYSA-N 0 0 347.484 4.161 50 0 EIAARN O=c1oc2cc(Cl)ccc2n1CN1CCC[C@H]1c1cccs1 ZINC000008114271 564034829 /nfs/dbraw/zinc/03/48/29/564034829.db2.gz HIFRPWMOMAFFIA-ZDUSSCGKSA-N 0 0 334.828 4.104 50 0 EIAARN CC(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccnc1 ZINC000604419337 564034872 /nfs/dbraw/zinc/03/48/72/564034872.db2.gz ULKQRHXMJSYFHA-IBGZPJMESA-N 0 0 348.450 4.065 50 0 EIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)COc1ccc(F)cc1 ZINC000390830568 564034973 /nfs/dbraw/zinc/03/49/73/564034973.db2.gz LWZZNJXKVNARJX-OAHLLOKOSA-N 0 0 339.476 4.117 50 0 EIAARN CSc1ccc(CC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)cc1 ZINC000221444848 564036251 /nfs/dbraw/zinc/03/62/51/564036251.db2.gz AOUSRPZTVNKBAB-UHFFFAOYSA-N 0 0 342.439 4.230 50 0 EIAARN Cc1ccc(-c2ocnc2C(=O)NCc2cccc(Cl)c2)s1 ZINC000033049082 564036400 /nfs/dbraw/zinc/03/64/00/564036400.db2.gz NHDVKXNSLAZRQG-UHFFFAOYSA-N 0 0 332.812 4.295 50 0 EIAARN CCOC(=O)c1ccc(Cl)c(NC(=O)/C=C\c2ccccc2)c1 ZINC000033309319 564036730 /nfs/dbraw/zinc/03/67/30/564036730.db2.gz QRRLKWBUROOTFJ-FLIBITNWSA-N 0 0 329.783 4.169 50 0 EIAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(F)cc1Cl ZINC000026298937 564039675 /nfs/dbraw/zinc/03/96/75/564039675.db2.gz QKHPNOVNUYCGTI-CYBMUJFWSA-N 0 0 344.821 4.253 50 0 EIAARN CN(C(=O)c1cc(F)ccc1Br)[C@H]1CCc2ccccc21 ZINC000027823373 564042351 /nfs/dbraw/zinc/04/23/51/564042351.db2.gz NVROFKAYPIZEDY-INIZCTEOSA-N 0 0 348.215 4.348 50 0 EIAARN Cc1ccncc1CN(C)C(=O)c1ccccc1Nc1ccccc1 ZINC000225436595 564046711 /nfs/dbraw/zinc/04/67/11/564046711.db2.gz KMKMOKYOVUDKSA-UHFFFAOYSA-N 0 0 331.419 4.406 50 0 EIAARN COc1ccc(Br)c(CN2CCC[C@H]2c2cccn2C)c1 ZINC000225533056 564047600 /nfs/dbraw/zinc/04/76/00/564047600.db2.gz LAQPQZNEERIYLS-KRWDZBQOSA-N 0 0 349.272 4.133 50 0 EIAARN CC(C)(C)c1cc(COC(=O)c2cccn2Cc2cccs2)no1 ZINC000225690540 564049429 /nfs/dbraw/zinc/04/94/29/564049429.db2.gz CLAFRXZZRVGKAB-UHFFFAOYSA-N 0 0 344.436 4.240 50 0 EIAARN CC(C)(C)c1cc(C=C2SC(=O)NC2=O)cc(C(C)(C)C)c1O ZINC000001493320 564049977 /nfs/dbraw/zinc/04/99/77/564049977.db2.gz VMWQYEAAXYPFCW-LCYFTJDESA-N 0 0 333.453 4.311 50 0 EIAARN CCOC(=O)Cc1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000001614030 564050368 /nfs/dbraw/zinc/05/03/68/564050368.db2.gz AYYAIYXXIZZDQT-UHFFFAOYSA-N 0 0 331.224 4.299 50 0 EIAARN Cc1cc(OCC(=O)N2C[C@H](C)Oc3ccccc32)cc(C)c1Cl ZINC000041155812 564050401 /nfs/dbraw/zinc/05/04/01/564050401.db2.gz DRHLZLDCMLICMA-AWEZNQCLSA-N 0 0 345.826 4.150 50 0 EIAARN Cc1ccc(SC2CCN(C(=O)CCc3cccnc3)CC2)cc1 ZINC000252488324 564053443 /nfs/dbraw/zinc/05/34/43/564053443.db2.gz IPDMMTCLOWZIKB-UHFFFAOYSA-N 0 0 340.492 4.106 50 0 EIAARN CN(Cc1c[nH]nc1-c1ccccc1)Cc1cncn1C1CCCCC1 ZINC000252492041 564053488 /nfs/dbraw/zinc/05/34/88/564053488.db2.gz MBGZFAPZAAVICJ-UHFFFAOYSA-N 0 0 349.482 4.410 50 0 EIAARN Cn1ncc(Cl)c(Oc2ccc(Oc3ccccc3)cc2)c1=O ZINC000001008756 564054008 /nfs/dbraw/zinc/05/40/08/564054008.db2.gz IMDPPGJZLBYOHJ-UHFFFAOYSA-N 0 0 328.755 4.018 50 0 EIAARN CCn1cc(CN(C)C(=O)c2sc3ccccc3c2Cl)c(C)n1 ZINC000001002522 564054017 /nfs/dbraw/zinc/05/40/17/564054017.db2.gz CGWSAMGGUZMJAP-UHFFFAOYSA-N 0 0 347.871 4.352 50 0 EIAARN COc1ccc(-n2c(-c3ccccc3)cn(-c3ccccc3)c2=O)cc1 ZINC000001004145 564054038 /nfs/dbraw/zinc/05/40/38/564054038.db2.gz VODWNUZCUYCAMI-UHFFFAOYSA-N 0 0 342.398 4.304 50 0 EIAARN O=C(Nc1cnccc1-c1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000344217874 564054477 /nfs/dbraw/zinc/05/44/77/564054477.db2.gz NMCOPIUDGGMCGH-UHFFFAOYSA-N 0 0 343.308 4.415 50 0 EIAARN C[C@]12CCC[C@@H]1[C@@H]1C[C@H](O)[C@H]3CC4(CC[C@@]3(C)[C@@H]1CC2)OCCO4 ZINC000257345754 564055848 /nfs/dbraw/zinc/05/58/48/564055848.db2.gz IDOHVJIGNBUAFN-DJQWEKKZSA-N 0 0 334.500 4.133 50 0 EIAARN CN1C(=O)Cc2cc(NC(=O)c3ccc(-c4ccsc4)cc3)ccc21 ZINC000225615286 564056562 /nfs/dbraw/zinc/05/65/62/564056562.db2.gz IFHUVVRJMJYVRR-UHFFFAOYSA-N 0 0 348.427 4.186 50 0 EIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F ZINC000005869167 564056755 /nfs/dbraw/zinc/05/67/55/564056755.db2.gz LIGKCYMHHWVDBP-MRVPVSSYSA-N 0 0 329.705 4.163 50 0 EIAARN O=C1CCCC[C@H]1Sc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000005887326 564056780 /nfs/dbraw/zinc/05/67/80/564056780.db2.gz HETDPLLKMRKGKD-MRXNPFEDSA-N 0 0 339.420 4.131 50 0 EIAARN CC1(C)[C@@H]2C[C@](C)(Cl)[C@@H](Sc3nnn(-c4ccccc4)n3)C[C@@H]21 ZINC000005903138 564056858 /nfs/dbraw/zinc/05/68/58/564056858.db2.gz SSQSSYIXOVMRJG-LOUJCGABSA-N 0 0 348.903 4.187 50 0 EIAARN CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C1CCCCC1 ZINC000005904068 564056893 /nfs/dbraw/zinc/05/68/93/564056893.db2.gz ZSCIIOFGCKEPHT-UHFFFAOYSA-N 0 0 340.467 4.155 50 0 EIAARN Clc1cccc(OCCSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000005937881 564057150 /nfs/dbraw/zinc/05/71/50/564057150.db2.gz ZCASSIQDLJAPLZ-UHFFFAOYSA-N 0 0 331.828 4.296 50 0 EIAARN Cc1nc2ccc(C(=O)NC3(c4ccc(F)cc4)CCC3)cc2nc1C ZINC000063338392 564057185 /nfs/dbraw/zinc/05/71/85/564057185.db2.gz IHHHOYGUTCGDHJ-UHFFFAOYSA-N 0 0 349.409 4.195 50 0 EIAARN Cc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000031663501 564057919 /nfs/dbraw/zinc/05/79/19/564057919.db2.gz DBTSNQDVZQPXJR-UHFFFAOYSA-N 0 0 339.370 4.146 50 0 EIAARN COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000012528244 564058189 /nfs/dbraw/zinc/05/81/89/564058189.db2.gz NAIJMTWOOLCBPI-IBGZPJMESA-N 0 0 338.451 4.197 50 0 EIAARN Cn1ccnc1[C@H](NC(=O)CCC1CCCC1)c1ccc(Cl)cc1 ZINC000012529772 564058210 /nfs/dbraw/zinc/05/82/10/564058210.db2.gz UNCWVEXQGXIDJR-GOSISDBHSA-N 0 0 345.874 4.250 50 0 EIAARN COc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 ZINC000012538159 564058430 /nfs/dbraw/zinc/05/84/30/564058430.db2.gz KVXAWFDJTSKOQZ-UHFFFAOYSA-N 0 0 341.436 4.083 50 0 EIAARN C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 ZINC000012539581 564058540 /nfs/dbraw/zinc/05/85/40/564058540.db2.gz YHQVOYIXOVEIHO-CQSZACIVSA-N 0 0 329.403 4.136 50 0 EIAARN CC(C)c1csc(NC(=O)c2cc3c(nc4sccn43)s2)n1 ZINC000012547193 564058942 /nfs/dbraw/zinc/05/89/42/564058942.db2.gz DKVPADNQVWZDJR-UHFFFAOYSA-N 0 0 348.478 4.443 50 0 EIAARN Cc1ccc(-c2csc(=S)n2CC(=O)Nc2ccncc2)cc1 ZINC000012552979 564059189 /nfs/dbraw/zinc/05/91/89/564059189.db2.gz SLZGHMMDGILOLW-UHFFFAOYSA-N 0 0 341.461 4.288 50 0 EIAARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(F)c1 ZINC000012558682 564059401 /nfs/dbraw/zinc/05/94/01/564059401.db2.gz ROKNCEOQRBRGAM-OAHLLOKOSA-N 0 0 341.430 4.255 50 0 EIAARN Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000012558846 564059409 /nfs/dbraw/zinc/05/94/09/564059409.db2.gz WOYBAZMRDPNABS-QGZVFWFLSA-N 0 0 337.467 4.424 50 0 EIAARN COC(=O)c1ccc(COc2ccc(OCc3ccccc3)cc2)o1 ZINC000003513328 564059890 /nfs/dbraw/zinc/05/98/90/564059890.db2.gz VHEWZHOCXMLUOS-UHFFFAOYSA-N 0 0 338.359 4.224 50 0 EIAARN CSc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000012583136 564060100 /nfs/dbraw/zinc/06/01/00/564060100.db2.gz RIHMZYZISAXYSK-UHFFFAOYSA-N 0 0 337.448 4.071 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000012582668 564060114 /nfs/dbraw/zinc/06/01/14/564060114.db2.gz VJHROJIUNHRNMD-GFCCVEGCSA-N 0 0 346.390 4.017 50 0 EIAARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2)cs1 ZINC000012591368 564060220 /nfs/dbraw/zinc/06/02/20/564060220.db2.gz RPJGQCYIZWBDDY-UHFFFAOYSA-N 0 0 349.459 4.120 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)c3ccccc3C)cc2)cs1 ZINC000012620991 564060940 /nfs/dbraw/zinc/06/09/40/564060940.db2.gz GKSTWQHLDKUSIF-UHFFFAOYSA-N 0 0 336.460 4.399 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)NCc1ccccc1 ZINC000263586216 564061525 /nfs/dbraw/zinc/06/15/25/564061525.db2.gz RJAOPZWJJGLMQC-IBGZPJMESA-N 0 0 349.434 4.053 50 0 EIAARN CC[C@@H]1C=CCN1C(=O)c1ccc(-c2ccsc2C(C)=O)cc1 ZINC000534663324 564061619 /nfs/dbraw/zinc/06/16/19/564061619.db2.gz HHRMJFKXHAZXGG-MRXNPFEDSA-N 0 0 325.433 4.408 50 0 EIAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Oc1ccc(F)cc1 ZINC000015356094 564061626 /nfs/dbraw/zinc/06/16/26/564061626.db2.gz SXRWFEGJJUOUEA-UHFFFAOYSA-N 0 0 331.343 4.236 50 0 EIAARN CCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000015363605 564061830 /nfs/dbraw/zinc/06/18/30/564061830.db2.gz PKPNJBKUHJVSFL-LBPRGKRZSA-N 0 0 349.814 4.153 50 0 EIAARN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004081726 564061874 /nfs/dbraw/zinc/06/18/74/564061874.db2.gz FRQMUZJSZHZSGN-HPVYWYMASA-N 0 0 344.495 4.084 50 0 biogenic EIAARN CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nn1-c1ccccn1 ZINC000012655223 564062443 /nfs/dbraw/zinc/06/24/43/564062443.db2.gz JBFQHJCIKLIBOK-UHFFFAOYSA-N 0 0 349.434 4.409 50 0 EIAARN CCn1nc(NC(=O)c2ccccc2F)c2cc3ccc(C)cc3nc21 ZINC000001275761 564062841 /nfs/dbraw/zinc/06/28/41/564062841.db2.gz DNBNYEVWWQZLGY-UHFFFAOYSA-N 0 0 348.381 4.304 50 0 EIAARN Cc1cc2sc(NC(=O)N(C)[C@@H](C)c3cccnc3)nc2s1 ZINC000083580859 564063425 /nfs/dbraw/zinc/06/34/25/564063425.db2.gz WUFHINWXXIOUHY-JTQLQIEISA-N 0 0 332.454 4.286 50 0 EIAARN CC(=O)c1c(F)cccc1NCCOc1cccc2c1OC(C)(C)C2 ZINC000083815628 564063493 /nfs/dbraw/zinc/06/34/93/564063493.db2.gz IMBAOOSCVOWMCT-UHFFFAOYSA-N 0 0 343.398 4.233 50 0 EIAARN CCn1nc(C)c(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)c1C ZINC000083836722 564063574 /nfs/dbraw/zinc/06/35/74/564063574.db2.gz OLQYMNSEXAMKLL-UHFFFAOYSA-N 0 0 339.399 4.182 50 0 EIAARN O=C(CSc1ncccn1)N(C1CCCCC1)C1CCCCC1 ZINC000001371915 564063785 /nfs/dbraw/zinc/06/37/85/564063785.db2.gz PDDNPYFNDARVDR-UHFFFAOYSA-N 0 0 333.501 4.063 50 0 EIAARN CCC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000012728471 564063883 /nfs/dbraw/zinc/06/38/83/564063883.db2.gz VHITXBCANOBSNX-ZDUSSCGKSA-N 0 0 329.827 4.489 50 0 EIAARN CCc1noc(CSc2nnc(Nc3ccc(C)c(C)c3)s2)n1 ZINC000012728465 564063891 /nfs/dbraw/zinc/06/38/91/564063891.db2.gz AFKIINMPYPXYBM-UHFFFAOYSA-N 0 0 347.469 4.136 50 0 EIAARN Cc1c(C(=O)N2CCCCC2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012733789 564064444 /nfs/dbraw/zinc/06/44/44/564064444.db2.gz RXKKCRVJZSTBOP-UHFFFAOYSA-N 0 0 331.485 4.232 50 0 EIAARN Cc1ccc(CNC(=O)c2oc3ccccc3c2-n2cccc2)cc1 ZINC000001390469 564064508 /nfs/dbraw/zinc/06/45/08/564064508.db2.gz AZKFSWWQQKJLCN-UHFFFAOYSA-N 0 0 330.387 4.462 50 0 EIAARN COc1ccc2c(c1)C=C(C(=O)Nc1cccc(C(F)(F)F)c1)CO2 ZINC000001391490 564064524 /nfs/dbraw/zinc/06/45/24/564064524.db2.gz MKYBUCXPTBMKOD-UHFFFAOYSA-N 0 0 349.308 4.129 50 0 EIAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccccc1O ZINC000012737289 564064651 /nfs/dbraw/zinc/06/46/51/564064651.db2.gz UKULXKRXXDFNIN-UHFFFAOYSA-N 0 0 346.180 4.462 50 0 EIAARN FC(F)(F)c1cnc(-c2cnc(-c3ccncc3)nc2)c(Cl)c1 ZINC000001397508 564064763 /nfs/dbraw/zinc/06/47/63/564064763.db2.gz OVHFPHYEKPDWAP-UHFFFAOYSA-N 0 0 336.704 4.273 50 0 EIAARN Cc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 ZINC000001398443 564064810 /nfs/dbraw/zinc/06/48/10/564064810.db2.gz HVRYCWAARFUFCN-UHFFFAOYSA-N 0 0 347.418 4.081 50 0 EIAARN O=C(O[C@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1cccs1 ZINC000001406548 564065217 /nfs/dbraw/zinc/06/52/17/564065217.db2.gz XEAIMZYXBXPQHV-XSVZSIDJSA-N 0 0 343.423 4.179 50 0 EIAARN Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc2ccccc2s1 ZINC000116691774 564065622 /nfs/dbraw/zinc/06/56/22/564065622.db2.gz HAHZFOLRIMMULP-HSZRJFAPSA-N 0 0 343.473 4.341 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1cccc(C)c1 ZINC000012746895 564065800 /nfs/dbraw/zinc/06/58/00/564065800.db2.gz LZKRMGPGACOEBP-UHFFFAOYSA-N 0 0 348.450 4.461 50 0 EIAARN CSCc1ccccc1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000184746322 564065867 /nfs/dbraw/zinc/06/58/67/564065867.db2.gz ZAVGSYCWDZQNPL-WMLDXEAASA-N 0 0 336.501 4.122 50 0 EIAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1 ZINC000012747808 564066002 /nfs/dbraw/zinc/06/60/02/564066002.db2.gz LQURLRQYCGUBCJ-OAQYLSRUSA-N 0 0 348.471 4.334 50 0 EIAARN CO[C@@H]1CCCC[C@H]1OC(=O)c1sc(Cc2ccccc2)nc1C ZINC000084064421 564066062 /nfs/dbraw/zinc/06/60/62/564066062.db2.gz BPOZIUSPGKIUOM-HZPDHXFCSA-N 0 0 345.464 4.157 50 0 EIAARN CSc1nc(C(=O)N[C@H](C)c2cc(C)sc2C)c2ccccn12 ZINC000084081851 564066257 /nfs/dbraw/zinc/06/62/57/564066257.db2.gz BTECEOWYXYXOJJ-LLVKDONJSA-N 0 0 345.493 4.226 50 0 EIAARN CCOc1cc(C(=O)NCCCc2ccccc2F)cc2occc21 ZINC000223270588 564066335 /nfs/dbraw/zinc/06/63/35/564066335.db2.gz NWSOEVZKUYGMFR-UHFFFAOYSA-N 0 0 341.382 4.333 50 0 EIAARN Cc1cc(C(=O)c2cc3cc(Br)ccc3o2)c(C)n1C ZINC000012750088 564066556 /nfs/dbraw/zinc/06/65/56/564066556.db2.gz DWZVZGUBVGPMHL-UHFFFAOYSA-N 0 0 332.197 4.382 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2occc21 ZINC000084139858 564066958 /nfs/dbraw/zinc/06/69/58/564066958.db2.gz SXHQZKIYUHVSJJ-OAHLLOKOSA-N 0 0 333.815 4.284 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C3CCCC3)[nH]n2)s1 ZINC000084205718 564067408 /nfs/dbraw/zinc/06/74/08/564067408.db2.gz NTGGBBSJBKFNBK-MRXNPFEDSA-N 0 0 329.469 4.241 50 0 EIAARN Cc1cccc2c1C(=O)N(CCc1ccccc1)[C@@H](c1cscn1)N2 ZINC000084229715 564067470 /nfs/dbraw/zinc/06/74/70/564067470.db2.gz RTKBFPIASRXYRK-IBGZPJMESA-N 0 0 349.459 4.261 50 0 EIAARN CC(=O)Nc1cc(NC(=O)CCO[C@H](C)CC(C)C)ccc1Cl ZINC000087192053 564067600 /nfs/dbraw/zinc/06/76/00/564067600.db2.gz VIIRUDNSVKEICG-GFCCVEGCSA-N 0 0 340.851 4.078 50 0 EIAARN O=C(OC1CCCCCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000084374397 564067976 /nfs/dbraw/zinc/06/79/76/564067976.db2.gz DZRFQXMFOVGXLA-SFHVURJKSA-N 0 0 345.439 4.074 50 0 EIAARN C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc21)c1ccccn1 ZINC000012767053 564068103 /nfs/dbraw/zinc/06/81/03/564068103.db2.gz RBYSUDYTUZZDDX-CQSZACIVSA-N 0 0 327.391 4.260 50 0 EIAARN O=C(Nc1ccccc1N1CCCCCC1)[C@H]1C[C@H]1c1cccnc1 ZINC000084506025 564068373 /nfs/dbraw/zinc/06/83/73/564068373.db2.gz ALABYRPXPYNAEK-ROUUACIJSA-N 0 0 335.451 4.204 50 0 EIAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cccnc1SC1CCCC1 ZINC000084525470 564068453 /nfs/dbraw/zinc/06/84/53/564068453.db2.gz HOVQLHSATVNTIG-ZWKOTPCHSA-N 0 0 338.476 4.402 50 0 EIAARN O=C(NCc1ccc(-c2ccccc2)o1)c1ccc2c(c1)OCCCO2 ZINC000084562732 564068734 /nfs/dbraw/zinc/06/87/34/564068734.db2.gz HXICXBIJCGMXGI-UHFFFAOYSA-N 0 0 349.386 4.038 50 0 EIAARN O=C(Nc1cnn(-c2ccccc2)c1)Nc1cccc2cccnc21 ZINC000084576668 564068741 /nfs/dbraw/zinc/06/87/41/564068741.db2.gz GNZOVVSXFJHPQN-UHFFFAOYSA-N 0 0 329.363 4.065 50 0 EIAARN O=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1COc2ccccc21 ZINC000084579167 564068783 /nfs/dbraw/zinc/06/87/83/564068783.db2.gz HFKZNWUHVOKELU-GOSISDBHSA-N 0 0 338.407 4.263 50 0 EIAARN CC[C@@](C)(NC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1 ZINC000084721213 564069805 /nfs/dbraw/zinc/06/98/05/564069805.db2.gz HDLZVAIQLNXDQG-HXUWFJFHSA-N 0 0 341.455 4.101 50 0 EIAARN CC[C@H](C)[C@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000012780262 564069815 /nfs/dbraw/zinc/06/98/15/564069815.db2.gz JLRHRXMBQHEXMX-LIRRHRJNSA-N 0 0 327.424 4.472 50 0 EIAARN CC1CC(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1 ZINC000084750510 564070023 /nfs/dbraw/zinc/07/00/23/564070023.db2.gz ZZZWUKHAQAFFQN-UHFFFAOYSA-N 0 0 332.831 4.233 50 0 EIAARN CCC[C@@H]1CCc2nc(NC(=O)c3cc(C4CC4)on3)sc2C1 ZINC000084740800 564070024 /nfs/dbraw/zinc/07/00/24/564070024.db2.gz SOZGQPCCLJBKNT-SNVBAGLBSA-N 0 0 331.441 4.166 50 0 EIAARN CCCOc1cccc(C(=O)N(Cc2cccc(O)c2)CC2CC2)c1 ZINC000084758627 564070039 /nfs/dbraw/zinc/07/00/39/564070039.db2.gz LIYBFYDDFDTVAD-UHFFFAOYSA-N 0 0 339.435 4.233 50 0 EIAARN CC(C)c1ocnc1C(=O)N(CC(F)F)c1cccc(Cl)c1 ZINC000084806157 564070342 /nfs/dbraw/zinc/07/03/42/564070342.db2.gz ABZWXAHDLPJBIU-UHFFFAOYSA-N 0 0 328.746 4.363 50 0 EIAARN CCS[C@@H]1CCC[C@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 ZINC000084811951 564070370 /nfs/dbraw/zinc/07/03/70/564070370.db2.gz NYFAUAKPMYCECJ-LSDHHAIUSA-N 0 0 338.521 4.267 50 0 EIAARN CCc1ccccc1N(CC)C(=O)c1noc2c1COc1ccccc1-2 ZINC000015673869 564070545 /nfs/dbraw/zinc/07/05/45/564070545.db2.gz FHFDCCUMZAONJH-UHFFFAOYSA-N 0 0 348.402 4.463 50 0 EIAARN COC(=O)c1cccc(CSc2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000001439788 564070660 /nfs/dbraw/zinc/07/06/60/564070660.db2.gz YVDAWJBTKCOAAX-UHFFFAOYSA-N 0 0 326.421 4.259 50 0 EIAARN CCCCCCNC(=O)c1ccccc1C(=O)NCCCCCC ZINC000006042167 564072303 /nfs/dbraw/zinc/07/23/03/564072303.db2.gz CAJXJLKMVWWRDK-UHFFFAOYSA-N 0 0 332.488 4.307 50 0 EIAARN CSc1cccc(Nc2c(=O)c(=O)c2-c2ccc3c(c2)CCCC3)c1 ZINC000015728238 564072490 /nfs/dbraw/zinc/07/24/90/564072490.db2.gz IDQUXQLLUDDEDM-UHFFFAOYSA-N 0 0 349.455 4.294 50 0 EIAARN CCCN1c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2CCC1=O ZINC000015729990 564072607 /nfs/dbraw/zinc/07/26/07/564072607.db2.gz ZWNZZYIXWXJAOU-UHFFFAOYSA-N 0 0 336.435 4.245 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1noc2c1CCc1sccc1-2 ZINC000015733254 564072738 /nfs/dbraw/zinc/07/27/38/564072738.db2.gz YYBXWXLPXDKHSV-UHFFFAOYSA-N 0 0 344.823 4.085 50 0 EIAARN CC(C)Cn1c(SC[C@@H](O)c2ccccc2)nnc1-c1ccco1 ZINC000012810407 564072784 /nfs/dbraw/zinc/07/27/84/564072784.db2.gz WSBLXXMWSZIVAK-OAHLLOKOSA-N 0 0 343.452 4.020 50 0 EIAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCCCCC1 ZINC000001460368 564073078 /nfs/dbraw/zinc/07/30/78/564073078.db2.gz GRTMUDLXPQUWLV-UHFFFAOYSA-N 0 0 331.419 4.313 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000001460371 564073097 /nfs/dbraw/zinc/07/30/97/564073097.db2.gz UTDSQWMVJVGIGA-HOTGVXAUSA-N 0 0 345.446 4.415 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000001460370 564073110 /nfs/dbraw/zinc/07/31/10/564073110.db2.gz UTDSQWMVJVGIGA-HZPDHXFCSA-N 0 0 345.446 4.415 50 0 EIAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1ccccc1F ZINC000085431256 564073131 /nfs/dbraw/zinc/07/31/31/564073131.db2.gz UDGWUWZSCLSDPI-UHFFFAOYSA-N 0 0 349.321 4.215 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCC[C@@H](O)c1ccccc1 ZINC000085436451 564073220 /nfs/dbraw/zinc/07/32/20/564073220.db2.gz RMDQNHRKBIVQKX-JOCHJYFZSA-N 0 0 345.442 4.136 50 0 EIAARN O=C(/C=C/c1ccccc1)N1CCC(CSc2ccccn2)CC1 ZINC000085472309 564073425 /nfs/dbraw/zinc/07/34/25/564073425.db2.gz CUXKSIRZKAEDEI-MDZDMXLPSA-N 0 0 338.476 4.126 50 0 EIAARN CCCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC000015777054 564073842 /nfs/dbraw/zinc/07/38/42/564073842.db2.gz UBCGDBDELDXUJP-UHFFFAOYSA-N 0 0 348.874 4.395 50 0 EIAARN COc1cccc(-c2ocnc2C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000015782217 564074140 /nfs/dbraw/zinc/07/41/40/564074140.db2.gz KZUVDOGNTWSASI-SFHVURJKSA-N 0 0 348.402 4.158 50 0 EIAARN Cc1cccc(NC(=O)[C@@H](C)Sc2ncnc3sccc32)c1 ZINC000006115482 564074402 /nfs/dbraw/zinc/07/44/02/564074402.db2.gz SULXMNBNQGELQR-LLVKDONJSA-N 0 0 329.450 4.119 50 0 EIAARN CCOCc1csc(-c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000185921645 564075090 /nfs/dbraw/zinc/07/50/90/564075090.db2.gz WLJOKMAYZXDQJT-UHFFFAOYSA-N 0 0 328.393 4.192 50 0 EIAARN Cc1cc(C)n(CC2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 ZINC000086071020 564075258 /nfs/dbraw/zinc/07/52/58/564075258.db2.gz NHDHWADAWYYDPF-UHFFFAOYSA-N 0 0 340.471 4.061 50 0 EIAARN Cc1cc(Cl)ccc1NCC(=O)N1CCSc2ccccc21 ZINC000012852341 564075429 /nfs/dbraw/zinc/07/54/29/564075429.db2.gz DHBWCZHNTBGFNW-UHFFFAOYSA-N 0 0 332.856 4.199 50 0 EIAARN CC[C@H](CO)Nc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000012855130 564075470 /nfs/dbraw/zinc/07/54/70/564075470.db2.gz KJTKQPSYAQUCHY-GFCCVEGCSA-N 0 0 333.844 4.195 50 0 EIAARN CC(C)n1cc([C@@H](C)NC(=O)N([C@@H](C)c2ccco2)C2CC2)cn1 ZINC000086397525 564075606 /nfs/dbraw/zinc/07/56/06/564075606.db2.gz HDFYSOSKSIGMPI-KGLIPLIRSA-N 0 0 330.432 4.053 50 0 EIAARN COc1ccc(-c2cc(CC(=O)Nc3cc(C)ccc3C)no2)cc1 ZINC000012866946 564075863 /nfs/dbraw/zinc/07/58/63/564075863.db2.gz AHXDLOCDZTYWHR-UHFFFAOYSA-N 0 0 336.391 4.148 50 0 EIAARN CCn1c2ccccc2nc1SCCOc1cccc(OC)c1 ZINC000015833371 564076101 /nfs/dbraw/zinc/07/61/01/564076101.db2.gz WKPPLSDFLGCAMZ-UHFFFAOYSA-N 0 0 328.437 4.236 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CCC21OCCO1 ZINC000253596590 564076555 /nfs/dbraw/zinc/07/65/55/564076555.db2.gz SXXRMGBMPQWUTB-RKGSWTEASA-N 0 0 332.484 4.053 50 0 EIAARN Cc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2F)s1 ZINC000015840077 564076616 /nfs/dbraw/zinc/07/66/16/564076616.db2.gz VCIIZWBXZFSDMH-UHFFFAOYSA-N 0 0 346.452 4.178 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccncc2)n1C)c1ccccc1Cl ZINC000006139664 564076724 /nfs/dbraw/zinc/07/67/24/564076724.db2.gz HQXBAGVFBGDTMX-LLVKDONJSA-N 0 0 330.844 4.384 50 0 EIAARN O=C(NCCCc1ccccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000186197409 564076794 /nfs/dbraw/zinc/07/67/94/564076794.db2.gz SVQRDJNGLULZOA-UHFFFAOYSA-N 0 0 342.748 4.116 50 0 EIAARN CCCC(=O)N(Cc1[nH]c(C)c(C(=O)OCC)c1C)C1CCCCC1 ZINC000015862498 564077047 /nfs/dbraw/zinc/07/70/47/564077047.db2.gz KOSQOBMUCDEJLC-UHFFFAOYSA-N 0 0 348.487 4.270 50 0 EIAARN O=C(Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1)C1CC1 ZINC000015863771 564077146 /nfs/dbraw/zinc/07/71/46/564077146.db2.gz YYKAOPCHIKXQNS-UHFFFAOYSA-N 0 0 343.452 4.164 50 0 EIAARN Cn1c(Cl)cnc1CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000012903165 564077759 /nfs/dbraw/zinc/07/77/59/564077759.db2.gz HGQNEJFXDWTXSF-MRXNPFEDSA-N 0 0 349.912 4.344 50 0 EIAARN COc1ccc(CC(=O)Nc2cccc(OC3CCCC3)c2)cc1 ZINC000012905389 564077762 /nfs/dbraw/zinc/07/77/62/564077762.db2.gz PWIRJXXTJLYVQK-UHFFFAOYSA-N 0 0 325.408 4.198 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(Cl)c1 ZINC000012916488 564078056 /nfs/dbraw/zinc/07/80/56/564078056.db2.gz YUOCCBWKMVFESC-UHFFFAOYSA-N 0 0 327.811 4.430 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(F)cc(F)c1 ZINC000012928028 564078598 /nfs/dbraw/zinc/07/85/98/564078598.db2.gz ATYZEERNBRQKTL-UHFFFAOYSA-N 0 0 331.347 4.044 50 0 EIAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000012929942 564078683 /nfs/dbraw/zinc/07/86/83/564078683.db2.gz XHSVTXICHWNSFN-HXUWFJFHSA-N 0 0 338.451 4.088 50 0 EIAARN O=C(COc1ccccc1)N[C@H](c1ccsc1)c1cccs1 ZINC000575414706 564079062 /nfs/dbraw/zinc/07/90/62/564079062.db2.gz JSIOCPDKUAHMCW-QGZVFWFLSA-N 0 0 329.446 4.094 50 0 EIAARN O=C1CCCc2ccc(NCc3nccn3Cc3ccccc3)cc21 ZINC000088534395 564079558 /nfs/dbraw/zinc/07/95/58/564079558.db2.gz GSPFDIHMXZJDPF-UHFFFAOYSA-N 0 0 331.419 4.063 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000012943521 564079676 /nfs/dbraw/zinc/07/96/76/564079676.db2.gz BRKOHWJCEORYSN-SFHVURJKSA-N 0 0 337.419 4.052 50 0 EIAARN Fc1cccc(CSc2nc3cc(Br)cnc3[nH]2)c1 ZINC000006188151 564080320 /nfs/dbraw/zinc/08/03/20/564080320.db2.gz BXDVLYJRNNYYSL-UHFFFAOYSA-N 0 0 338.205 4.152 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000075126391 564080413 /nfs/dbraw/zinc/08/04/13/564080413.db2.gz JJVCSEVKQSGQDD-AWEZNQCLSA-N 0 0 341.455 4.270 50 0 EIAARN CC(=O)Nc1cc(NC(=O)Nc2cccc(C)c2C)c(F)cc1F ZINC000075138327 564080576 /nfs/dbraw/zinc/08/05/76/564080576.db2.gz LBRQNPVMCZDXSD-UHFFFAOYSA-N 0 0 333.338 4.184 50 0 EIAARN CNc1nc(CNc2nc(C)nc3scc(CC(C)C)c32)cs1 ZINC000075148741 564080835 /nfs/dbraw/zinc/08/08/35/564080835.db2.gz MLQJRRGSXUMFPA-UHFFFAOYSA-N 0 0 347.513 4.309 50 0 EIAARN O=C(NCCCc1ccccc1)N(CCc1cccs1)C1CC1 ZINC000075154831 564080871 /nfs/dbraw/zinc/08/08/71/564080871.db2.gz YTDXNGIYFAETEZ-UHFFFAOYSA-N 0 0 328.481 4.097 50 0 EIAARN O=C(NC1(c2nc(C3CC3)no2)CCCCC1)c1ccccc1Cl ZINC000075164141 564080957 /nfs/dbraw/zinc/08/09/57/564080957.db2.gz RIASTUFMWJAIAU-UHFFFAOYSA-N 0 0 345.830 4.190 50 0 EIAARN COCc1cc(C)c2c(N)c(C(=O)c3ccc(C)cc3C)sc2n1 ZINC000075249206 564081125 /nfs/dbraw/zinc/08/11/25/564081125.db2.gz LOHLKOBTVJLECB-UHFFFAOYSA-N 0 0 340.448 4.181 50 0 EIAARN Fc1cccc(Cl)c1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000075253734 564081219 /nfs/dbraw/zinc/08/12/19/564081219.db2.gz PPGXOTKBFJJZSY-UHFFFAOYSA-N 0 0 330.775 4.312 50 0 EIAARN Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)NCC(C)C ZINC000075330297 564081891 /nfs/dbraw/zinc/08/18/91/564081891.db2.gz SBSNSOKVQWWHIN-UHFFFAOYSA-N 0 0 332.469 4.033 50 0 EIAARN CCC(=O)N1CCc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21 ZINC000075351649 564081963 /nfs/dbraw/zinc/08/19/63/564081963.db2.gz OTKVYWGWQCIZMS-UHFFFAOYSA-N 0 0 336.435 4.361 50 0 EIAARN CCC(=O)N1CCc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc21 ZINC000075351637 564081972 /nfs/dbraw/zinc/08/19/72/564081972.db2.gz XLUKQLLEKZAGNY-UHFFFAOYSA-N 0 0 342.826 4.200 50 0 EIAARN O=C(COc1ccccc1F)NCc1nc(C2CCCCC2)cs1 ZINC000575605140 564082349 /nfs/dbraw/zinc/08/23/49/564082349.db2.gz MYMMKUOVEKNFDN-UHFFFAOYSA-N 0 0 348.443 4.025 50 0 EIAARN Cc1ccc(NC(=O)NCC[C@H](CCO)c2cccs2)cc1C ZINC000575606820 564082409 /nfs/dbraw/zinc/08/24/09/564082409.db2.gz JSFVVGPLQJHSRA-OAHLLOKOSA-N 0 0 332.469 4.043 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2cccs2)o1 ZINC000575607649 564082436 /nfs/dbraw/zinc/08/24/36/564082436.db2.gz AXXHHHVNVHZHAS-ZDUSSCGKSA-N 0 0 327.405 4.092 50 0 EIAARN Cc1nc2ccc(NC(=O)COc3ccccc3Cl)cc2s1 ZINC000006223698 564083045 /nfs/dbraw/zinc/08/30/45/564083045.db2.gz WRXKZJJYFWCXTN-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CCCCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000006250084 564083223 /nfs/dbraw/zinc/08/32/23/564083223.db2.gz UFQWQGQEWQONBQ-TVFCKZIOSA-N 0 0 336.520 4.126 50 0 EIAARN CC1CCN(C(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)CC1 ZINC000006245766 564083227 /nfs/dbraw/zinc/08/32/27/564083227.db2.gz ZHPGYEATIIMXMC-UHFFFAOYSA-N 0 0 340.467 4.129 50 0 EIAARN CCOc1ccc2nc(NC(=O)Cc3ccc(C)c(C)c3)sc2c1 ZINC000006270964 564083470 /nfs/dbraw/zinc/08/34/70/564083470.db2.gz OAMNFIYTSDDIDR-UHFFFAOYSA-N 0 0 340.448 4.493 50 0 EIAARN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1 ZINC000006300692 564083722 /nfs/dbraw/zinc/08/37/22/564083722.db2.gz LWJORFUELOKRQJ-KRWDZBQOSA-N 0 0 341.480 4.252 50 0 EIAARN O=C(NCC[C@@H](CCO)c1cccs1)c1cc2ccccc2s1 ZINC000575620001 564083831 /nfs/dbraw/zinc/08/38/31/564083831.db2.gz HJLRPFGIEHIGGL-ZDUSSCGKSA-N 0 0 345.489 4.249 50 0 EIAARN C[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](C)Oc1ccccc1 ZINC000575620765 564083890 /nfs/dbraw/zinc/08/38/90/564083890.db2.gz LZOYOSMABYTEKZ-GJZGRUSLSA-N 0 0 339.460 4.416 50 0 EIAARN Cc1ccc([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN23)cc1 ZINC000075403032 564084014 /nfs/dbraw/zinc/08/40/14/564084014.db2.gz UQNQJPPRPRUFHW-ZWKOTPCHSA-N 0 0 326.827 4.158 50 0 EIAARN O=C(/C=C/c1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000012608552 564084489 /nfs/dbraw/zinc/08/44/89/564084489.db2.gz VBRFZPFDVBILSV-KVDXNUTJSA-N 0 0 332.378 4.140 50 0 EIAARN CCN(CC)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 ZINC000006325576 564085044 /nfs/dbraw/zinc/08/50/44/564085044.db2.gz ULKYKYHDVIMFMW-UHFFFAOYSA-N 0 0 338.451 4.039 50 0 EIAARN CC(=O)Nc1ccc(O)c(C(=O)O[C@@H](C)c2cccc3ccccc32)c1 ZINC000064119828 564085106 /nfs/dbraw/zinc/08/51/06/564085106.db2.gz DUNHYSGOXJZVCE-ZDUSSCGKSA-N 0 0 349.386 4.422 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000006332864 564085203 /nfs/dbraw/zinc/08/52/03/564085203.db2.gz WRFIWQJIHMEPIZ-UHFFFAOYSA-N 0 0 327.714 4.202 50 0 EIAARN Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 ZINC000006386495 564085425 /nfs/dbraw/zinc/08/54/25/564085425.db2.gz JVRPLJQYYLEAKS-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN CC(C)CCC[C@@H]1CN(C(=O)c2c(O)ccc3ccccc32)CCO1 ZINC000071736418 564086116 /nfs/dbraw/zinc/08/61/16/564086116.db2.gz YWOOMMBZWYVNET-QGZVFWFLSA-N 0 0 341.451 4.213 50 0 EIAARN CC(C)C(=O)Nc1ncc(Cc2ccccc2Br)s1 ZINC000013001256 564086363 /nfs/dbraw/zinc/08/63/63/564086363.db2.gz HCALTSAAOSDPSO-UHFFFAOYSA-N 0 0 339.258 4.091 50 0 EIAARN O=c1ccc2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2o1 ZINC000013004948 564086409 /nfs/dbraw/zinc/08/64/09/564086409.db2.gz QGDGLGPQIPXGTH-UHFFFAOYSA-N 0 0 336.265 4.271 50 0 EIAARN Cc1nc2cc(NC(=O)COc3ccc4ccccc4c3)ccc2o1 ZINC000013005861 564086417 /nfs/dbraw/zinc/08/64/17/564086417.db2.gz CXRYMDNIAACTPE-UHFFFAOYSA-N 0 0 332.359 4.307 50 0 EIAARN CCOc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1CO ZINC000096437006 564086477 /nfs/dbraw/zinc/08/64/77/564086477.db2.gz PSDIFGJEARYEAL-AWEZNQCLSA-N 0 0 338.407 4.406 50 0 EIAARN O=C(NCc1ccc(F)cc1F)c1ccc(-c2cccs2)nc1 ZINC000075502223 564087122 /nfs/dbraw/zinc/08/71/22/564087122.db2.gz AYUNQYWHWIKBPL-UHFFFAOYSA-N 0 0 330.359 4.018 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)/C=C\c1csc(C)n1 ZINC000104786378 564087196 /nfs/dbraw/zinc/08/71/96/564087196.db2.gz SBTAPCYDZSGPMJ-CLFYSBASSA-N 0 0 330.453 4.410 50 0 EIAARN O=C(CCc1conc1-c1ccc(F)cc1)NC1CCCCCC1 ZINC000075510431 564087335 /nfs/dbraw/zinc/08/73/35/564087335.db2.gz SRDNXKMUISLEBI-UHFFFAOYSA-N 0 0 330.403 4.252 50 0 EIAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2oc1=O ZINC000000133966 564087578 /nfs/dbraw/zinc/08/75/78/564087578.db2.gz NIDUNYLRJWGPHC-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN CCn1c(-c2cc(NC(=O)CC(C)C)n[nH]2)cc2cc(OC)ccc21 ZINC000075544398 564088687 /nfs/dbraw/zinc/08/86/87/564088687.db2.gz GKDHEDOWGWBPEX-UHFFFAOYSA-N 0 0 340.427 4.045 50 0 EIAARN C[C@H]1CC(Nc2ccc(NC(=O)N3CCCCCC3)cc2)C[C@H](C)O1 ZINC000092160924 564088884 /nfs/dbraw/zinc/08/88/84/564088884.db2.gz YTHOLTSEQRFHEO-HOTGVXAUSA-N 0 0 345.487 4.462 50 0 EIAARN CCc1sc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1C ZINC000006473689 564089460 /nfs/dbraw/zinc/08/94/60/564089460.db2.gz WVTBLNQPOIVDGJ-UHFFFAOYSA-N 0 0 329.450 4.390 50 0 EIAARN CN(CCCn1ccnc1)C(=O)Nc1ccccc1-c1cccs1 ZINC000089346142 564089732 /nfs/dbraw/zinc/08/97/32/564089732.db2.gz RUTNPJLQIPDRSB-UHFFFAOYSA-N 0 0 340.452 4.166 50 0 EIAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000001943753 564090332 /nfs/dbraw/zinc/09/03/32/564090332.db2.gz IPPTYICDDLSURC-UHFFFAOYSA-N 0 0 339.435 4.396 50 0 EIAARN CC(=O)Oc1ccc2c(c1)occ(Oc1ccc(Cl)cc1)c2=O ZINC000000178218 564090441 /nfs/dbraw/zinc/09/04/41/564090441.db2.gz QCOTUFUZJRIASD-UHFFFAOYSA-N 0 0 330.723 4.164 50 0 biogenic EIAARN Cc1cc(OCC(=O)c2ccc(F)cc2)c2c(C)c(C)c(=O)oc2c1 ZINC000000488568 564090543 /nfs/dbraw/zinc/09/05/43/564090543.db2.gz PJGWSGPSDQMTAR-UHFFFAOYSA-N 0 0 340.350 4.119 50 0 biogenic EIAARN Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C=NNc1cccc2cccnc21 ZINC000252622635 564090720 /nfs/dbraw/zinc/09/07/20/564090720.db2.gz NZLDRHMJHUKHJL-UHFFFAOYSA-N 0 0 345.362 4.379 50 0 EIAARN COc1cccc(C(=O)Oc2ccc(C3SCCS3)cc2)c1 ZINC000006540259 564091834 /nfs/dbraw/zinc/09/18/34/564091834.db2.gz WZWLPDXLOJMMQO-UHFFFAOYSA-N 0 0 332.446 4.393 50 0 EIAARN CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F ZINC000006541820 564091864 /nfs/dbraw/zinc/09/18/64/564091864.db2.gz VIXCPQWOEGUYHZ-UHFFFAOYSA-N 0 0 335.762 4.089 50 0 EIAARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1OCC ZINC000006602079 564092686 /nfs/dbraw/zinc/09/26/86/564092686.db2.gz FENMQQUEMCHMJY-UHFFFAOYSA-N 0 0 335.787 4.095 50 0 EIAARN Cc1cccnc1[C@H](C)NC(=O)c1cc2cccc(Cl)c2n1C ZINC000426420505 564093659 /nfs/dbraw/zinc/09/36/59/564093659.db2.gz XSKXMCDOZNFCMQ-LBPRGKRZSA-N 0 0 327.815 4.026 50 0 EIAARN O=C(c1ccc(-c2ccc(Cl)cn2)cc1)N1CCC(F)(F)CC1 ZINC000426465348 564093790 /nfs/dbraw/zinc/09/37/90/564093790.db2.gz XVTKXQCIXVRXPC-UHFFFAOYSA-N 0 0 336.769 4.273 50 0 EIAARN CCN(CCOC)C(=O)c1ccc(-c2cccc(OC(C)C)c2)cc1 ZINC000426689011 564094399 /nfs/dbraw/zinc/09/43/99/564094399.db2.gz AHSZMWKCCZXSOP-UHFFFAOYSA-N 0 0 341.451 4.249 50 0 EIAARN CC(C)C(=O)n1nc(-c2ccco2)nc1NCc1ccccc1Cl ZINC000006615849 564094530 /nfs/dbraw/zinc/09/45/30/564094530.db2.gz YEDAEFXJDTUEGQ-UHFFFAOYSA-N 0 0 344.802 4.100 50 0 EIAARN CCCNC(=O)N(Cc1cc(-c2ccc(C)c(C)c2)on1)C1CC1 ZINC000036001867 564094569 /nfs/dbraw/zinc/09/45/69/564094569.db2.gz ICXYUVPCDVJLMR-UHFFFAOYSA-N 0 0 327.428 4.042 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCCc2ccccc21 ZINC000006622663 564094582 /nfs/dbraw/zinc/09/45/82/564094582.db2.gz YUOVWDJKCATUHS-ZDUSSCGKSA-N 0 0 344.842 4.128 50 0 EIAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NC1CC1 ZINC000064657677 564094769 /nfs/dbraw/zinc/09/47/69/564094769.db2.gz QZACJLFFWKOTOY-UHFFFAOYSA-N 0 0 330.840 4.302 50 0 EIAARN CC[C@@H]1Cn2c(C(=O)NCc3ccc(C)cc3)cc3cccc(c32)O1 ZINC000064657850 564094827 /nfs/dbraw/zinc/09/48/27/564094827.db2.gz VAJKGVNUYCENLE-QGZVFWFLSA-N 0 0 334.419 4.051 50 0 EIAARN Cc1ccc(-c2cn3ccn(-c4cc(C)cc(C)c4)c(=O)c3n2)c(C)c1 ZINC000064670310 564095029 /nfs/dbraw/zinc/09/50/29/564095029.db2.gz UPPIOXVXOFYFBL-UHFFFAOYSA-N 0 0 343.430 4.386 50 0 EIAARN Cc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)c(C)c1 ZINC000064664214 564095099 /nfs/dbraw/zinc/09/50/99/564095099.db2.gz BKZIVXNBGIURSE-UHFFFAOYSA-N 0 0 347.447 4.257 50 0 EIAARN CC(C)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000064675689 564095133 /nfs/dbraw/zinc/09/51/33/564095133.db2.gz NXUDEDKVPZNFNI-UHFFFAOYSA-N 0 0 341.842 4.112 50 0 EIAARN O=C(C1CCCCC1)N1CCC(CCOc2ccccc2F)CC1 ZINC000064678041 564095329 /nfs/dbraw/zinc/09/53/29/564095329.db2.gz QLEVFBHSCDLFHO-UHFFFAOYSA-N 0 0 333.447 4.414 50 0 EIAARN Cc1ccc(-c2nnc(S[C@@H](C)c3ccccc3Cl)n2N)cc1 ZINC000006652283 564095376 /nfs/dbraw/zinc/09/53/76/564095376.db2.gz PXYDTDZXMIQDRS-LBPRGKRZSA-N 0 0 344.871 4.474 50 0 EIAARN Cc1ccccc1NC(=S)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000006653444 564095455 /nfs/dbraw/zinc/09/54/55/564095455.db2.gz QQSMKMDWBPHHSS-OAHLLOKOSA-N 0 0 336.464 4.228 50 0 EIAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccco1 ZINC000064690534 564095458 /nfs/dbraw/zinc/09/54/58/564095458.db2.gz XAFFYUFLYHLYPO-UHFFFAOYSA-N 0 0 339.395 4.019 50 0 EIAARN O=C(OCc1cc2ccccc2nc1Cl)c1ccc2c(c1)COC2 ZINC000064692019 564095544 /nfs/dbraw/zinc/09/55/44/564095544.db2.gz AAVDGYIWNJTPKW-UHFFFAOYSA-N 0 0 339.778 4.275 50 0 EIAARN CCc1nc(-n2cccc2)sc1C(=O)NCc1ccc(Cl)cc1 ZINC000064747824 564095824 /nfs/dbraw/zinc/09/58/24/564095824.db2.gz WKSXDOLRRWWTIS-UHFFFAOYSA-N 0 0 345.855 4.080 50 0 EIAARN CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000064747400 564095844 /nfs/dbraw/zinc/09/58/44/564095844.db2.gz DKUFWSCFJONSOD-BXUZGUMPSA-N 0 0 348.834 4.035 50 0 EIAARN Cc1c(C(=O)N2CCCCC2)c(CC(C)C)nn1-c1ccccc1 ZINC000006696223 564096161 /nfs/dbraw/zinc/09/61/61/564096161.db2.gz NPZBSRVNHBIZEM-UHFFFAOYSA-N 0 0 325.456 4.005 50 0 EIAARN O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccc2ccccc2n1 ZINC000064809190 564096357 /nfs/dbraw/zinc/09/63/57/564096357.db2.gz KHJOBADREIZFBC-KRWDZBQOSA-N 0 0 336.366 4.018 50 0 EIAARN CCOc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1OC ZINC000007973293 564096405 /nfs/dbraw/zinc/09/64/05/564096405.db2.gz SLYUMTPYAHHKJO-UHFFFAOYSA-N 0 0 339.313 4.365 50 0 EIAARN CCc1nc(C[S@@](=O)Cc2nc(-c3ccccc3)oc2C)cs1 ZINC000064823782 564096604 /nfs/dbraw/zinc/09/66/04/564096604.db2.gz DCVGGVURPVYPNR-QHCPKHFHSA-N 0 0 346.477 4.118 50 0 EIAARN CCc1ccc(CNc2ncnc3c(-c4ccccc4)noc32)cc1 ZINC000064820863 564096608 /nfs/dbraw/zinc/09/66/08/564096608.db2.gz HEUBDECQVFKGRS-UHFFFAOYSA-N 0 0 330.391 4.459 50 0 EIAARN CN1CCCc2cc(NC(=O)c3csc(-c4ccco4)n3)ccc21 ZINC000064845093 564096852 /nfs/dbraw/zinc/09/68/52/564096852.db2.gz VGOWHNLNJIYIQL-UHFFFAOYSA-N 0 0 339.420 4.038 50 0 EIAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1F ZINC000006747629 564096921 /nfs/dbraw/zinc/09/69/21/564096921.db2.gz JFTRVQRXDAWRSA-UHFFFAOYSA-N 0 0 327.330 4.400 50 0 EIAARN CSc1ccc(CNC(=O)Cc2csc3ccccc23)cc1 ZINC000006751696 564097154 /nfs/dbraw/zinc/09/71/54/564097154.db2.gz UUCFYYBJITWKCP-UHFFFAOYSA-N 0 0 327.474 4.482 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Nc1nonc1-c1ccc(F)cc1 ZINC000006758883 564097282 /nfs/dbraw/zinc/09/72/82/564097282.db2.gz HOMKHBXRWDJLJL-UHFFFAOYSA-N 0 0 337.310 4.183 50 0 EIAARN Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4ccco4)nc3c12 ZINC000006764385 564097356 /nfs/dbraw/zinc/09/73/56/564097356.db2.gz FINKCQKYLPZKGR-UHFFFAOYSA-N 0 0 335.411 4.461 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(N3CCC[C@H](C)C3)s2)cc1C ZINC000006768345 564097402 /nfs/dbraw/zinc/09/74/02/564097402.db2.gz LZCYLBZDNWSVDU-NSHDSACASA-N 0 0 345.472 4.035 50 0 EIAARN CCn1c2ccccc2c2nnc(NCc3ccc(Cl)cc3)nc21 ZINC000006781654 564097630 /nfs/dbraw/zinc/09/76/30/564097630.db2.gz MTOIQOWHCUUGTH-UHFFFAOYSA-N 0 0 337.814 4.265 50 0 EIAARN CC(=O)c1ccc(Nc2c(=O)c(=O)c2-c2ccc(C(C)C)cc2)cc1 ZINC000006793176 564098031 /nfs/dbraw/zinc/09/80/31/564098031.db2.gz HBETTZIRTSJLHA-UHFFFAOYSA-N 0 0 333.387 4.019 50 0 EIAARN COc1ccc2[nH]cc(CCNC(=O)Nc3c(C)cccc3C)c2c1 ZINC000006809388 564098431 /nfs/dbraw/zinc/09/84/31/564098431.db2.gz SXNXDWAUKBHUFA-UHFFFAOYSA-N 0 0 337.423 4.158 50 0 EIAARN CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2F)n1 ZINC000006810510 564098434 /nfs/dbraw/zinc/09/84/34/564098434.db2.gz RMPLDQAHWJWYGZ-UHFFFAOYSA-N 0 0 325.796 4.024 50 0 EIAARN COc1ccc2[nH]cc(CCNC(=O)Nc3cc(C)cc(C)c3)c2c1 ZINC000006809389 564098436 /nfs/dbraw/zinc/09/84/36/564098436.db2.gz UNHQYILZFIUVJF-UHFFFAOYSA-N 0 0 337.423 4.158 50 0 EIAARN Cc1ccc2oc(C(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1 ZINC000006811216 564098584 /nfs/dbraw/zinc/09/85/84/564098584.db2.gz ISVMFJYTSWJRBC-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN CCc1ccc(-c2cc3c(=O)n(Cc4cccc(C)c4)ccn3n2)cc1 ZINC000064977544 564098824 /nfs/dbraw/zinc/09/88/24/564098824.db2.gz KTMVYBLKEUWODJ-UHFFFAOYSA-N 0 0 343.430 4.082 50 0 EIAARN COC(=O)c1cc(C)sc1NC(=S)Nc1cccc(Cl)c1 ZINC000006825621 564098875 /nfs/dbraw/zinc/09/88/75/564098875.db2.gz GSBMYPLNYVACKX-UHFFFAOYSA-N 0 0 340.857 4.305 50 0 EIAARN O=C(Nc1ccncc1)c1ccccc1COc1ccc(F)cc1F ZINC000006829314 564098974 /nfs/dbraw/zinc/09/89/74/564098974.db2.gz GBUWUKPSZHQYNK-UHFFFAOYSA-N 0 0 340.329 4.191 50 0 EIAARN Cc1cccc(OCCC(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000006832416 564099228 /nfs/dbraw/zinc/09/92/28/564099228.db2.gz HZYWMFFGHGFXSU-UHFFFAOYSA-N 0 0 330.384 4.151 50 0 EIAARN CN(C(=O)c1cccc2c1SCCC2=O)c1ccccc1Cl ZINC000006841598 564099386 /nfs/dbraw/zinc/09/93/86/564099386.db2.gz VXPHOILIBAOJSQ-UHFFFAOYSA-N 0 0 331.824 4.295 50 0 EIAARN C[C@@H](Sc1ncnc2ccccc21)C(=O)c1ccc2c(c1)CCC2 ZINC000006849709 564099602 /nfs/dbraw/zinc/09/96/02/564099602.db2.gz YXIOJPZGPYCQBU-CYBMUJFWSA-N 0 0 334.444 4.482 50 0 EIAARN Cc1cc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)on1 ZINC000006852489 564099637 /nfs/dbraw/zinc/09/96/37/564099637.db2.gz VEQFHAAGNMQKEQ-UHFFFAOYSA-N 0 0 327.380 4.070 50 0 EIAARN COc1ccc(NC(=O)c2ccc(-c3cccc(C)c3)nc2)c(OC)c1 ZINC000065030040 564099713 /nfs/dbraw/zinc/09/97/13/564099713.db2.gz QGEPJSQQVUEHFL-UHFFFAOYSA-N 0 0 348.402 4.327 50 0 EIAARN COC(=O)c1cc(OCc2cccc(Cl)c2)c2ccccc2n1 ZINC000065033056 564099809 /nfs/dbraw/zinc/09/98/09/564099809.db2.gz XEMJKYHPHZWMQI-UHFFFAOYSA-N 0 0 327.767 4.254 50 0 EIAARN C[C@H](C1CC1)n1nccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000156881744 564099887 /nfs/dbraw/zinc/09/98/87/564099887.db2.gz DBZYHZZQJUNJLF-CYBMUJFWSA-N 0 0 342.468 4.237 50 0 EIAARN CCc1ccccc1Nc1cc(C(=O)OC)nc2c(OC)cccc12 ZINC000065033643 564099917 /nfs/dbraw/zinc/09/99/17/564099917.db2.gz DQBNYZFNLRROIM-UHFFFAOYSA-N 0 0 336.391 4.336 50 0 EIAARN S=c1[nH]nc(Cc2ccccc2)n1C12CC3CC(CC(C3)C1)C2 ZINC000006864287 564100025 /nfs/dbraw/zinc/10/00/25/564100025.db2.gz LJXOOSWJVWQHNO-UHFFFAOYSA-N 0 0 325.481 4.457 50 0 EIAARN COc1cc(NC(=O)c2ccnc(-c3ccsc3)c2)cc(OC)c1 ZINC000065063139 564100531 /nfs/dbraw/zinc/10/05/31/564100531.db2.gz MFWZWRGIMFYHNH-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006881029 564100560 /nfs/dbraw/zinc/10/05/60/564100560.db2.gz VQKIMASYLDGNOC-CQSZACIVSA-N 0 0 346.858 4.198 50 0 EIAARN CCc1cccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1 ZINC000169775609 564100773 /nfs/dbraw/zinc/10/07/73/564100773.db2.gz MMOSJARVKHSBIT-UHFFFAOYSA-N 0 0 343.390 4.500 50 0 EIAARN O=C(Nc1cccc(Cl)c1)C(=O)c1cccn1Cc1ccccc1 ZINC000065084084 564100799 /nfs/dbraw/zinc/10/07/99/564100799.db2.gz HMNZNHXGKBJGSE-UHFFFAOYSA-N 0 0 338.794 4.011 50 0 EIAARN c1csc(CNc2ccc(-c3nc(-c4ccccc4)no3)cn2)c1 ZINC000065097776 564101044 /nfs/dbraw/zinc/10/10/44/564101044.db2.gz ZPRLNWUSJYOJAX-UHFFFAOYSA-N 0 0 334.404 4.472 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C)c1 ZINC000065114222 564101215 /nfs/dbraw/zinc/10/12/15/564101215.db2.gz LAJJGYYKQQWKPV-UHFFFAOYSA-N 0 0 339.370 4.306 50 0 EIAARN CCn1c(C)c(C)c2cc(C(=O)N3CCc4ccccc4C3)ccc21 ZINC000006912899 564101262 /nfs/dbraw/zinc/10/12/62/564101262.db2.gz BVRPUOYGMHPOKJ-UHFFFAOYSA-N 0 0 332.447 4.477 50 0 EIAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Cl)c1 ZINC000065114110 564101330 /nfs/dbraw/zinc/10/13/30/564101330.db2.gz CYUZSMJLNBABBL-UHFFFAOYSA-N 0 0 327.771 4.122 50 0 EIAARN Cc1cc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c(C)n1C1CC1 ZINC000065119250 564101332 /nfs/dbraw/zinc/10/13/32/564101332.db2.gz ZOJPTZJGANJHGJ-UHFFFAOYSA-N 0 0 335.451 4.468 50 0 EIAARN Cc1cc(C)cc(-n2ccnc(NCc3ccccc3Cl)c2=O)c1 ZINC000006914967 564101413 /nfs/dbraw/zinc/10/14/13/564101413.db2.gz FHVYLAJIXDHMSP-UHFFFAOYSA-N 0 0 339.826 4.115 50 0 EIAARN O=c1c(SCc2ccccc2)nccn1-c1cccc(Cl)c1 ZINC000006915394 564101415 /nfs/dbraw/zinc/10/14/15/564101415.db2.gz KHGFAASNOJAYSR-UHFFFAOYSA-N 0 0 328.824 4.178 50 0 EIAARN Cn1nccc1-c1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000065137240 564101507 /nfs/dbraw/zinc/10/15/07/564101507.db2.gz YHVSIQNJHGZCLV-UHFFFAOYSA-N 0 0 336.782 4.458 50 0 EIAARN Cc1cccc(-c2nc(-c3ccc4c(c3)oc(=O)n4C(C)C)no2)c1 ZINC000065138317 564101562 /nfs/dbraw/zinc/10/15/62/564101562.db2.gz CDPHUWPIERNAHF-UHFFFAOYSA-N 0 0 335.363 4.201 50 0 EIAARN CCCn1cc2c3c1cccc3CN(C(=O)c1ccc(OC)cc1)CC2 ZINC000065148662 564101641 /nfs/dbraw/zinc/10/16/41/564101641.db2.gz KIUCAYIVNCOYFZ-UHFFFAOYSA-N 0 0 348.446 4.258 50 0 EIAARN CSc1ncc(C(=O)Nc2cc(C)ccc2C)c(C(F)(F)F)n1 ZINC000006938324 564101874 /nfs/dbraw/zinc/10/18/74/564101874.db2.gz GJXHUESFRAFVMB-UHFFFAOYSA-N 0 0 341.358 4.086 50 0 EIAARN Cc1ccc(C)c(OCc2nnc(SCC3(O)CCCCC3)o2)c1 ZINC000065169897 564102167 /nfs/dbraw/zinc/10/21/67/564102167.db2.gz XWPXGDQIKKUZJO-UHFFFAOYSA-N 0 0 348.468 4.053 50 0 EIAARN Cc1ccc(C)c(C(=O)NCCc2cn(CC(C)C)c3ncccc23)c1 ZINC000065163943 564102264 /nfs/dbraw/zinc/10/22/64/564102264.db2.gz BACAHRSCYZNDNQ-UHFFFAOYSA-N 0 0 349.478 4.282 50 0 EIAARN O=C(/C=C/c1ccco1)N1CCC(CCOc2ccccc2F)CC1 ZINC000065180629 564102382 /nfs/dbraw/zinc/10/23/82/564102382.db2.gz DKPCRBPAHNZKHC-BQYQJAHWSA-N 0 0 343.398 4.140 50 0 EIAARN CC[C@H](C)NC(=O)N1CC=C(c2cn(C(C)C)c3ncccc23)CC1 ZINC000065211846 564102720 /nfs/dbraw/zinc/10/27/20/564102720.db2.gz YZOLWMHFFRUXJB-HNNXBMFYSA-N 0 0 340.471 4.214 50 0 EIAARN Cc1ccsc1-c1nnc(CC(=O)Nc2ccc(C(C)C)cc2)o1 ZINC000065214402 564102834 /nfs/dbraw/zinc/10/28/34/564102834.db2.gz MLJRXKDXAYWFDV-UHFFFAOYSA-N 0 0 341.436 4.411 50 0 EIAARN Cc1ccsc1-c1nnc(CC(=O)Nc2ccc(C)cc2Cl)o1 ZINC000065214399 564102846 /nfs/dbraw/zinc/10/28/46/564102846.db2.gz NXOLDHVRVYUILJ-UHFFFAOYSA-N 0 0 347.827 4.250 50 0 EIAARN Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C3CC3)o2)cc1F ZINC000065218675 564102896 /nfs/dbraw/zinc/10/28/96/564102896.db2.gz PDJHKXZWDHCPLQ-UHFFFAOYSA-N 0 0 343.383 4.375 50 0 EIAARN CCCn1cc(C(=O)Nc2ccccc2SC)c2cccnc21 ZINC000065216812 564102897 /nfs/dbraw/zinc/10/28/97/564102897.db2.gz PVGDMLLDSVONIG-UHFFFAOYSA-N 0 0 325.437 4.421 50 0 EIAARN O=C(Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000065219165 564102926 /nfs/dbraw/zinc/10/29/26/564102926.db2.gz RIRXNSOFIWFLRN-UHFFFAOYSA-N 0 0 345.811 4.467 50 0 EIAARN Cc1ccsc1C(=O)Nc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000065225047 564103084 /nfs/dbraw/zinc/10/30/84/564103084.db2.gz AWQFSTHJHQOEEX-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CSc1ccc(CCNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000007007418 564103133 /nfs/dbraw/zinc/10/31/33/564103133.db2.gz FSNNKIHTGVPUDG-UHFFFAOYSA-N 0 0 338.476 4.479 50 0 EIAARN Cc1ccccc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O ZINC000007069971 564104176 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ZINC000089949961 564115838 /nfs/dbraw/zinc/11/58/38/564115838.db2.gz RMWMOIMIGJYDTD-INIZCTEOSA-N 0 0 328.378 4.342 50 0 EIAARN CCC[C@]1(C(F)(F)F)CCCN1Cc1cc2ccccc2[nH]c1=O ZINC000089949956 564115841 /nfs/dbraw/zinc/11/58/41/564115841.db2.gz GKTOIGBOAZKTFK-QGZVFWFLSA-N 0 0 338.373 4.225 50 0 EIAARN CCCc1ncc(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)s1 ZINC000089960534 564115868 /nfs/dbraw/zinc/11/58/68/564115868.db2.gz XFWWWYGABFIIDH-UHFFFAOYSA-N 0 0 326.425 4.046 50 0 EIAARN CCOc1cc(Cl)ccc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000089990953 564116079 /nfs/dbraw/zinc/11/60/79/564116079.db2.gz RYWMFYWOEXKGTA-CQSZACIVSA-N 0 0 348.834 4.221 50 0 EIAARN O=c1c2c([nH]c3c(-c4ccccc4)c(-c4ccccc4)nn31)CCCC2 ZINC000017028421 564116255 /nfs/dbraw/zinc/11/62/55/564116255.db2.gz UAJVKGDJFMEXMQ-UHFFFAOYSA-N 0 0 341.414 4.235 50 0 EIAARN Cc1ccc(CCSc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000170632878 564116303 /nfs/dbraw/zinc/11/63/03/564116303.db2.gz PDQMUVBEKNQUEG-UHFFFAOYSA-N 0 0 337.370 4.391 50 0 EIAARN C[C@H]1CCC[C@H](CCC#N)C1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017111967 564116466 /nfs/dbraw/zinc/11/64/66/564116466.db2.gz NPFNXRULYWTWIR-NWDGAFQWSA-N 0 0 345.359 4.011 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3N(C)Cc2ccccc2)cc1C ZINC000017120338 564116473 /nfs/dbraw/zinc/11/64/73/564116473.db2.gz BUDLMAXDSTXXFZ-UHFFFAOYSA-N 0 0 343.434 4.069 50 0 EIAARN CSc1ccc([C@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 ZINC000000221971 564116663 /nfs/dbraw/zinc/11/66/63/564116663.db2.gz XIRDQZVOWARVPD-ZIAGYGMSSA-N 0 0 328.466 4.208 50 0 EIAARN CSc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000430876 564116687 /nfs/dbraw/zinc/11/66/87/564116687.db2.gz ODKMAMSQIZHFHF-XNTDXEJSSA-N 0 0 329.808 4.406 50 0 EIAARN OCc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000000475368 564116733 /nfs/dbraw/zinc/11/67/33/564116733.db2.gz NCYJJNSUNYYRBU-UHFFFAOYSA-N 0 0 327.605 4.174 50 0 EIAARN Cc1cccn2cc(CNC(=O)[C@@H]3C[C@H]3c3ccc(C(C)C)cc3)nc12 ZINC000170636895 564117312 /nfs/dbraw/zinc/11/73/12/564117312.db2.gz BZNQECARXFWASC-VQTJNVASSA-N 0 0 347.462 4.186 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000006729482 564117446 /nfs/dbraw/zinc/11/74/46/564117446.db2.gz QKDCWDIITNGLRL-UHFFFAOYSA-N 0 0 347.749 4.123 50 0 EIAARN Cc1ccc(-c2noc(CN(C)C(=O)CCC3CCCCC3)n2)cc1 ZINC000007759645 564117572 /nfs/dbraw/zinc/11/75/72/564117572.db2.gz APOBDAGPIJUZDP-UHFFFAOYSA-N 0 0 341.455 4.364 50 0 EIAARN CCCC[C@H]1C[C@H](COC(=O)c2ccc(OCC(C)C)cc2)OC1=O ZINC000002102245 564117649 /nfs/dbraw/zinc/11/76/49/564117649.db2.gz OROXZXPYZYSMQA-FUHWJXTLSA-N 0 0 348.439 4.000 50 0 biogenic EIAARN C[C@H](C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)c1cccs1 ZINC000246348356 564117803 /nfs/dbraw/zinc/11/78/03/564117803.db2.gz OXSWYCIYQMNIHA-MELADBBJSA-N 0 0 335.494 4.028 50 0 EIAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C1CC1 ZINC000000266937 564118847 /nfs/dbraw/zinc/11/88/47/564118847.db2.gz GSKLTHLRBKSFCS-UHFFFAOYSA-N 0 0 347.443 4.277 50 0 EIAARN CCSc1ccc(CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000007597827 564118956 /nfs/dbraw/zinc/11/89/56/564118956.db2.gz ITXIPBAELLYMGP-UHFFFAOYSA-N 0 0 339.420 4.030 50 0 EIAARN C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)CCC(F)(F)F ZINC000252481209 564119232 /nfs/dbraw/zinc/11/92/32/564119232.db2.gz CIMLFMCIULDKCD-HXNGOWOSSA-N 0 0 334.281 4.347 50 0 EIAARN C[C@H](Oc1ccc(C(=O)NCCc2cccnc2)cc1)c1ccccc1 ZINC000252485679 564119336 /nfs/dbraw/zinc/11/93/36/564119336.db2.gz HBPHUHJCFDBCFT-KRWDZBQOSA-N 0 0 346.430 4.194 50 0 EIAARN Cc1cccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1C ZINC000002159783 564119622 /nfs/dbraw/zinc/11/96/22/564119622.db2.gz ACKPEDAZXKZBMA-UHFFFAOYSA-N 0 0 335.403 4.383 50 0 biogenic EIAARN CCOc1c(Cl)cccc1CC(=O)N[C@H](C)Cc1cccs1 ZINC000252494121 564119645 /nfs/dbraw/zinc/11/96/45/564119645.db2.gz NLUJNLFVPNMHII-GFCCVEGCSA-N 0 0 337.872 4.090 50 0 EIAARN CCC[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3cccnc3)sc2C1 ZINC000252517892 564120290 /nfs/dbraw/zinc/12/02/90/564120290.db2.gz UJUNZKSXDGBDCI-SNPRPXQTSA-N 0 0 341.480 4.185 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4CCC(=O)O[C@]4(C)CC[C@@H]32)C1 ZINC000252517497 564120292 /nfs/dbraw/zinc/12/02/92/564120292.db2.gz KCXUMZXWLRGXME-FAHRLCJRSA-N 0 0 348.483 4.256 50 0 EIAARN Cc1noc(-c2ccsc2NC(=O)CCSc2ccccc2)n1 ZINC000225659559 564120700 /nfs/dbraw/zinc/12/07/00/564120700.db2.gz YSGJEROIVIVFOP-UHFFFAOYSA-N 0 0 345.449 4.227 50 0 EIAARN C[C@@H]1CC[C@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)C[C@H]1C ZINC000252584775 564120796 /nfs/dbraw/zinc/12/07/96/564120796.db2.gz CUIDCZRJSDFRHC-RUVNZWMVSA-N 0 0 349.540 4.351 50 0 EIAARN CC[C@]1(c2ccccc2)O[C@H](C[C@H](C)OC(C)=O)Nc2ccccc21 ZINC000252588637 564120846 /nfs/dbraw/zinc/12/08/46/564120846.db2.gz ADADRCVVEIDOTE-IWMITWMQSA-N 0 0 339.435 4.450 50 0 EIAARN CCOc1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1C(C)C ZINC000007616234 564121021 /nfs/dbraw/zinc/12/10/21/564121021.db2.gz PVKLKIPFSXQEEO-UHFFFAOYSA-N 0 0 339.501 4.082 50 0 EIAARN CCCCc1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000002204865 564121071 /nfs/dbraw/zinc/12/10/71/564121071.db2.gz IZVXRRFISSYCQH-LJQANCHMSA-N 0 0 341.407 4.328 50 0 EIAARN CC[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1OC(F)F ZINC000027358670 564121079 /nfs/dbraw/zinc/12/10/79/564121079.db2.gz NDAOSEDJTFDCDL-BBRMVZONSA-N 0 0 349.377 4.323 50 0 EIAARN CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1C1CC1 ZINC000007618716 564121086 /nfs/dbraw/zinc/12/10/86/564121086.db2.gz GLHANURTBGZDQX-NSHDSACASA-N 0 0 341.440 4.079 50 0 EIAARN Cc1cccc(OCC(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000007670502 564121746 /nfs/dbraw/zinc/12/17/46/564121746.db2.gz SQLCTNYSTXFODK-UHFFFAOYSA-N 0 0 330.434 4.198 50 0 EIAARN C[C@@H](Sc1nncn1-c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000007677604 564121814 /nfs/dbraw/zinc/12/18/14/564121814.db2.gz MBPPYZQARSTOKL-CYBMUJFWSA-N 0 0 348.431 4.112 50 0 EIAARN C[C@H](Sc1nncn1-c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000007677601 564121821 /nfs/dbraw/zinc/12/18/21/564121821.db2.gz MBPPYZQARSTOKL-ZDUSSCGKSA-N 0 0 348.431 4.112 50 0 EIAARN O=C(Nc1cccnc1N1CCCCC1)c1ccc(Cl)cc1F ZINC000065862899 564121829 /nfs/dbraw/zinc/12/18/29/564121829.db2.gz IPFGPRSERDKGLK-UHFFFAOYSA-N 0 0 333.794 4.117 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nccs2)cc1 ZINC000007684182 564121897 /nfs/dbraw/zinc/12/18/97/564121897.db2.gz VXNCUSVOXKCQAW-UHFFFAOYSA-N 0 0 344.823 4.481 50 0 EIAARN Cc1cc(C(=O)N([C@@H](C)c2ccc3ccccc3c2)C2CC2)n(C)n1 ZINC000065889653 564121982 /nfs/dbraw/zinc/12/19/82/564121982.db2.gz FDYVRJYOHPPATH-HNNXBMFYSA-N 0 0 333.435 4.248 50 0 EIAARN CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000007699870 564122043 /nfs/dbraw/zinc/12/20/43/564122043.db2.gz BFNVTIBRTBSSSN-ZDUSSCGKSA-N 0 0 332.444 4.179 50 0 EIAARN Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1C ZINC000007725719 564122344 /nfs/dbraw/zinc/12/23/44/564122344.db2.gz IVRGMRRQMIBYIR-UHFFFAOYSA-N 0 0 338.407 4.130 50 0 EIAARN O=c1c(Cl)c(Cl)cnn1Cc1ccccc1Oc1ccccc1 ZINC000007747150 564122607 /nfs/dbraw/zinc/12/26/07/564122607.db2.gz BYTCJLOJOSANKG-UHFFFAOYSA-N 0 0 347.201 4.391 50 0 EIAARN Cc1cc(CNc2ccc(Cl)c(C[S@](C)=O)c2)ccc1F ZINC000195559028 564123844 /nfs/dbraw/zinc/12/38/44/564123844.db2.gz DBRNUAOKVNKVNE-NRFANRHFSA-N 0 0 325.836 4.278 50 0 EIAARN O=S(=O)(Nc1ccc(F)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000007814606 564123985 /nfs/dbraw/zinc/12/39/85/564123985.db2.gz FRNYZUXMEJKQPT-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(C)o1 ZINC000007884877 564124393 /nfs/dbraw/zinc/12/43/93/564124393.db2.gz BUTNUGJUWSQVHI-LJQANCHMSA-N 0 0 334.375 4.368 50 0 EIAARN O=C(OCc1cc(-c2ccco2)on1)c1ccc(C(F)(F)F)cc1 ZINC000007886972 564124443 /nfs/dbraw/zinc/12/44/43/564124443.db2.gz AHHVQSWOUMAVDM-UHFFFAOYSA-N 0 0 337.253 4.310 50 0 EIAARN C[C@@H](NC(=O)COc1ccccc1Cl)c1cc2ccccc2o1 ZINC000007889411 564124449 /nfs/dbraw/zinc/12/44/49/564124449.db2.gz UXQFLUIDSRPWNV-GFCCVEGCSA-N 0 0 329.783 4.342 50 0 EIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)Nc1cccc(F)c1 ZINC000007917763 564125108 /nfs/dbraw/zinc/12/51/08/564125108.db2.gz BJGODDSEAYKPFG-UHFFFAOYSA-N 0 0 337.398 4.248 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000043759612 564129230 /nfs/dbraw/zinc/12/92/30/564129230.db2.gz NCMZQTLCXHGLOK-ZBGUWCLVSA-N 0 0 330.468 4.450 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC21OCCO1 ZINC000061946908 564129460 /nfs/dbraw/zinc/12/94/60/564129460.db2.gz SXXRMGBMPQWUTB-GTYQWKCWSA-N 0 0 332.484 4.053 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000253370027 564130299 /nfs/dbraw/zinc/13/02/99/564130299.db2.gz LCSQDVGQLONUGF-PCCBWWKXSA-N 0 0 328.415 4.091 50 0 EIAARN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)Cc1cnccn1 ZINC000253404146 564130600 /nfs/dbraw/zinc/13/06/00/564130600.db2.gz FIXRAXROMQVOJS-UHFFFAOYSA-N 0 0 337.810 4.287 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)c(C)n1 ZINC000253416493 564130761 /nfs/dbraw/zinc/13/07/61/564130761.db2.gz HXHDYTGNNBNFJK-UHFFFAOYSA-N 0 0 345.402 4.203 50 0 EIAARN CC(C)(C)N(Cc1ccccn1)C(=O)c1cc(F)cc2cccnc21 ZINC000253416620 564130784 /nfs/dbraw/zinc/13/07/84/564130784.db2.gz RVPUFDYSUMRXME-UHFFFAOYSA-N 0 0 337.398 4.210 50 0 EIAARN CCN(Cc1ccccc1)C(=O)CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000253417351 564130826 /nfs/dbraw/zinc/13/08/26/564130826.db2.gz ZQRITCWEIXBLEF-IBGZPJMESA-N 0 0 342.870 4.136 50 0 EIAARN CN(CCCOCc1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000253425930 564131130 /nfs/dbraw/zinc/13/11/30/564131130.db2.gz FGSNOXNJQCOMTQ-UHFFFAOYSA-N 0 0 334.366 4.035 50 0 EIAARN Cc1nc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)oc1C ZINC000253426283 564131168 /nfs/dbraw/zinc/13/11/68/564131168.db2.gz GMRJUHXWKZZHLN-GOSISDBHSA-N 0 0 327.815 4.219 50 0 EIAARN CCC[C@H](NC(=O)N1CC(Oc2ccc(F)cc2)C1)c1cccs1 ZINC000584892655 564131577 /nfs/dbraw/zinc/13/15/77/564131577.db2.gz AGNZAHIZVGFKEC-INIZCTEOSA-N 0 0 348.443 4.201 50 0 EIAARN CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000253433620 564131977 /nfs/dbraw/zinc/13/19/77/564131977.db2.gz ZMZYQEDBTQKRCT-QGZVFWFLSA-N 0 0 337.427 4.143 50 0 EIAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2ccc(NC(=O)CC)cc2)C1 ZINC000012403881 564132890 /nfs/dbraw/zinc/13/28/90/564132890.db2.gz XMVDLLYYIXBGPR-MRXNPFEDSA-N 0 0 339.439 4.053 50 0 EIAARN COC(=O)c1cn(C(=O)c2cccc3ccccc32)c2ccccc12 ZINC000002419385 564134819 /nfs/dbraw/zinc/13/48/19/564134819.db2.gz DGRCNIMEGXTULN-UHFFFAOYSA-N 0 0 329.355 4.270 50 0 EIAARN Cc1nc2ccccc2nc1CSCc1nnc(C2CCC2)o1 ZINC000225471647 564135114 /nfs/dbraw/zinc/13/51/14/564135114.db2.gz MLQBXPULGKHTLF-UHFFFAOYSA-N 0 0 326.425 4.022 50 0 EIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1 ZINC000002436865 564135178 /nfs/dbraw/zinc/13/51/78/564135178.db2.gz ZDKPSMKNKOWLLX-UHFFFAOYSA-N 0 0 333.218 4.447 50 0 EIAARN Oc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccn2)c1 ZINC000013036285 564135925 /nfs/dbraw/zinc/13/59/25/564135925.db2.gz CLCKHSGCPXWGSY-TZIWHRDSSA-N 0 0 343.386 4.030 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2Cl)cc1 ZINC000013096119 564136003 /nfs/dbraw/zinc/13/60/03/564136003.db2.gz DGIYNNPLAZIESB-ZDUSSCGKSA-N 0 0 344.842 4.002 50 0 EIAARN CCOCCCNC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1 ZINC000013351433 564136259 /nfs/dbraw/zinc/13/62/59/564136259.db2.gz PJPODPMBRHFGPR-UHFFFAOYSA-N 0 0 337.423 4.383 50 0 EIAARN Cc1nnc([C@@H]2CCCCN2C(=O)Nc2ccc(C3CCC3)cc2)[nH]1 ZINC000374707146 564137398 /nfs/dbraw/zinc/13/73/98/564137398.db2.gz LYKFHTBAXCSBIP-KRWDZBQOSA-N 0 0 339.443 4.140 50 0 EIAARN Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)N(C)Cc1nccs1 ZINC000078967800 564137477 /nfs/dbraw/zinc/13/74/77/564137477.db2.gz CTNGWNNMKUNKOA-NSHDSACASA-N 0 0 347.415 4.239 50 0 EIAARN C[C@@H](OC(=O)Cc1ccc(F)c(F)c1)c1cnc2ccccc2c1 ZINC000079075390 564137819 /nfs/dbraw/zinc/13/78/19/564137819.db2.gz DCJKEEOLDIIVNC-GFCCVEGCSA-N 0 0 327.330 4.360 50 0 EIAARN Cc1nnc(CN(Cc2cc3ccccc3nc2Cl)C(C)(C)C)o1 ZINC000079111130 564137923 /nfs/dbraw/zinc/13/79/23/564137923.db2.gz NUSGONWAOHADET-UHFFFAOYSA-N 0 0 344.846 4.380 50 0 EIAARN O=C(CCc1nnc(-c2ccccc2)o1)NCC1CCCCCCC1 ZINC000079179606 564137987 /nfs/dbraw/zinc/13/79/87/564137987.db2.gz LDPPSGSDEHDXJN-UHFFFAOYSA-N 0 0 341.455 4.146 50 0 EIAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 ZINC000390830246 564138650 /nfs/dbraw/zinc/13/86/50/564138650.db2.gz JRQQSNIVYKXKLK-ZDUSSCGKSA-N 0 0 327.440 4.491 50 0 EIAARN COc1ccccc1CC(=O)N1CCCC[C@H]1CSC(C)(C)C ZINC000390832317 564138720 /nfs/dbraw/zinc/13/87/20/564138720.db2.gz YPDKLZFQQMOWGU-INIZCTEOSA-N 0 0 335.513 4.151 50 0 EIAARN CC[C@H](C)C(=O)N1CCC[C@H](c2nc([C@@H]3CCC[C@@H](C)C3)no2)C1 ZINC000390833113 564138735 /nfs/dbraw/zinc/13/87/35/564138735.db2.gz CFKJAJQYJDHQNB-QXSJWSMHSA-N 0 0 333.476 4.115 50 0 EIAARN Cc1cccnc1[C@@H]1CCC[C@H](Nc2cccc(C[S@@](C)=O)c2)C1 ZINC000390834475 564138965 /nfs/dbraw/zinc/13/89/65/564138965.db2.gz ZMKSZCBQXQCCAS-YIGJPRQDSA-N 0 0 342.508 4.407 50 0 EIAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)Cc1cccc(O)c1 ZINC000080008733 564139070 /nfs/dbraw/zinc/13/90/70/564139070.db2.gz SKRAIYJOJMTQTQ-KRWDZBQOSA-N 0 0 342.439 4.149 50 0 EIAARN CCC[C@H](C(=O)N1CCC(Cc2cccnc2)CC1)c1ccccc1 ZINC000095457886 564140668 /nfs/dbraw/zinc/14/06/68/564140668.db2.gz IHWUIQRWZANXGK-NRFANRHFSA-N 0 0 336.479 4.447 50 0 EIAARN C[C@@H](OC(=O)c1ccc(Br)o1)c1nc2ccccc2o1 ZINC000095461471 564140794 /nfs/dbraw/zinc/14/07/94/564140794.db2.gz XQIMIWMPELRYNK-MRVPVSSYSA-N 0 0 336.141 4.101 50 0 EIAARN O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@H]1c1ncc[nH]1 ZINC000095467289 564141080 /nfs/dbraw/zinc/14/10/80/564141080.db2.gz PHRPHYQMXHJBKT-LBPRGKRZSA-N 0 0 325.199 4.086 50 0 EIAARN CCOc1ccccc1NC(=O)CSc1nccc2ccccc21 ZINC000095472000 564141290 /nfs/dbraw/zinc/14/12/90/564141290.db2.gz VPBWIQYMRWURPR-UHFFFAOYSA-N 0 0 338.432 4.364 50 0 EIAARN COCCn1ccc2ccc(C(=O)Nc3cccc4ncccc43)cc21 ZINC000095478170 564141490 /nfs/dbraw/zinc/14/14/90/564141490.db2.gz PAAVXXYQKUSRJN-UHFFFAOYSA-N 0 0 345.402 4.088 50 0 EIAARN CSc1cccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)c1 ZINC000020985543 564141891 /nfs/dbraw/zinc/14/18/91/564141891.db2.gz ZGFPHQQLPQQZPH-OAHLLOKOSA-N 0 0 339.464 4.429 50 0 EIAARN CCc1noc(C)c1NC(=O)Nc1c(C)cccc1OC(F)F ZINC000095942662 564142114 /nfs/dbraw/zinc/14/21/14/564142114.db2.gz LDOMPNMFBBHGEP-UHFFFAOYSA-N 0 0 325.315 4.099 50 0 EIAARN CN(Cc1csc(-c2cccc(Br)c2)n1)CC(F)F ZINC000095947878 564142313 /nfs/dbraw/zinc/14/23/13/564142313.db2.gz ZGMJCBGTZNXURN-UHFFFAOYSA-N 0 0 347.228 4.270 50 0 EIAARN CN(Cc1ccc(C(C)(C)C)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000095949317 564142330 /nfs/dbraw/zinc/14/23/30/564142330.db2.gz NWJLNVFAXMBHQY-HXUWFJFHSA-N 0 0 336.479 4.347 50 0 EIAARN Cc1nc(NC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)oc1C ZINC000095955709 564142486 /nfs/dbraw/zinc/14/24/86/564142486.db2.gz NBVAGBXVWFSRST-BMIGLBTASA-N 0 0 329.400 4.204 50 0 EIAARN CC(C)CCO[C@H]1CCN(C(=O)Nc2cccc(-c3ncco3)c2)C1 ZINC000095973979 564143478 /nfs/dbraw/zinc/14/34/78/564143478.db2.gz DXZKAJZVJSLSCB-KRWDZBQOSA-N 0 0 343.427 4.011 50 0 EIAARN Cc1cc(CN[C@H](C)c2ccc(Oc3cccnc3)c(F)c2)no1 ZINC000095985335 564143953 /nfs/dbraw/zinc/14/39/53/564143953.db2.gz LLPSSGMERDRMBW-CYBMUJFWSA-N 0 0 327.359 4.160 50 0 EIAARN Cn1ncc2c1CCC[C@@H]2NC(=O)CCCc1ccc2ccccc2c1 ZINC000095986585 564143957 /nfs/dbraw/zinc/14/39/57/564143957.db2.gz YTWOOQGLQOHRSU-FQEVSTJZSA-N 0 0 347.462 4.090 50 0 EIAARN Cc1ccc(/C=C\S(=O)(=O)Nc2cc(Cl)cc(C)c2O)cc1 ZINC000096035241 564145112 /nfs/dbraw/zinc/14/51/12/564145112.db2.gz YZXAIYZIYHJJSL-FPLPWBNLSA-N 0 0 337.828 4.075 50 0 EIAARN CO[C@H](CNC(=O)CCSc1ccccc1)c1ccc(C)s1 ZINC000096104706 564145320 /nfs/dbraw/zinc/14/53/20/564145320.db2.gz HAQUOVQQEAMGKT-OAHLLOKOSA-N 0 0 335.494 4.043 50 0 EIAARN CCCCOc1ccc(C(=O)NC[C@@H](OC)c2ccccc2C)cc1 ZINC000096104989 564145347 /nfs/dbraw/zinc/14/53/47/564145347.db2.gz QTMALEWKOZETFZ-HXUWFJFHSA-N 0 0 341.451 4.291 50 0 EIAARN COC1(CNC(=O)Nc2ccc(C)c(C)c2)C2CC3CC(C2)CC1C3 ZINC000096123931 564145668 /nfs/dbraw/zinc/14/56/68/564145668.db2.gz QLHPKWDMVOULDT-UHFFFAOYSA-N 0 0 342.483 4.266 50 0 EIAARN CC[C@](CNC(=O)Cc1c(F)cccc1Cl)(OC)c1ccccc1 ZINC000096123739 564145683 /nfs/dbraw/zinc/14/56/83/564145683.db2.gz CHXUPYCOLOWVNQ-LJQANCHMSA-N 0 0 349.833 4.090 50 0 EIAARN CC[C@](CNC(=O)Nc1ccc(C)c(C)c1)(OC)c1ccccc1 ZINC000096123819 564145686 /nfs/dbraw/zinc/14/56/86/564145686.db2.gz ZSZJIIPIGCDNQU-HXUWFJFHSA-N 0 0 326.440 4.377 50 0 EIAARN COc1ccc2cc(NC(=O)c3sc(C)nc3C(C)C)cnc2c1 ZINC000096231353 564146086 /nfs/dbraw/zinc/14/60/86/564146086.db2.gz RHPNETMZNVGMSU-UHFFFAOYSA-N 0 0 341.436 4.384 50 0 EIAARN CC(C)n1ccc2c1cccc2C(=O)NCCc1nc2ccccc2[nH]1 ZINC000096232684 564146134 /nfs/dbraw/zinc/14/61/34/564146134.db2.gz GYMABMWUPMNQIT-UHFFFAOYSA-N 0 0 346.434 4.071 50 0 EIAARN O=C(C[C@H](c1c[nH]c2ccccc21)C1CCCCC1)N1CCOCC1 ZINC000096275568 564146230 /nfs/dbraw/zinc/14/62/30/564146230.db2.gz FMQRUVHXBSRBDD-SFHVURJKSA-N 0 0 340.467 4.081 50 0 EIAARN C/C=C/C=C\C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000096295278 564146554 /nfs/dbraw/zinc/14/65/54/564146554.db2.gz YKHZIYJYNNOLRK-ICKRUQPGSA-N 0 0 326.421 4.000 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](c2nc(-c3cccc(C)c3)no2)C(C)C)cc1 ZINC000096292895 564146473 /nfs/dbraw/zinc/14/64/73/564146473.db2.gz CNOAENWPFSZFTJ-GOSISDBHSA-N 0 0 349.434 4.481 50 0 EIAARN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3)n2)cc1Cl ZINC000096293600 564146506 /nfs/dbraw/zinc/14/65/06/564146506.db2.gz RUWVGSMXXURXFO-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN O=C(/C=C\c1ccccn1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000096295281 564146561 /nfs/dbraw/zinc/14/65/61/564146561.db2.gz NYEWQQRXBXWDSS-BFFYNSAMSA-N 0 0 347.418 4.028 50 0 EIAARN CC[C@H](NC(=O)C=Cc1ccc(F)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000096310867 564146680 /nfs/dbraw/zinc/14/66/80/564146680.db2.gz LHQDRRCTBZXEDB-GFBZKKKVSA-N 0 0 349.409 4.497 50 0 EIAARN C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(-n2cccn2)cc1 ZINC000096404400 564147247 /nfs/dbraw/zinc/14/72/47/564147247.db2.gz GHFRTVPTTFNEIR-LFVRLGFBSA-N 0 0 328.412 4.021 50 0 EIAARN CC(=O)c1c(C)cc(C)c(C[S@@](=O)Cc2csc(C)n2)c1C ZINC000096404548 564147279 /nfs/dbraw/zinc/14/72/79/564147279.db2.gz WKUJAQYYHSKYGE-JOCHJYFZSA-N 0 0 335.494 4.028 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000096405405 564147313 /nfs/dbraw/zinc/14/73/13/564147313.db2.gz DOMMBJTYHAWKDR-OALUTQOASA-N 0 0 346.430 4.194 50 0 EIAARN COC(=O)C[C@@H](C)S[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000096409801 564147547 /nfs/dbraw/zinc/14/75/47/564147547.db2.gz PUGOUUJZFISPSY-ZJUUUORDSA-N 0 0 340.832 4.136 50 0 EIAARN O=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@@H]1c1ccsc1 ZINC000096413786 564147669 /nfs/dbraw/zinc/14/76/69/564147669.db2.gz LVJLPNAPFHHJCY-OAHLLOKOSA-N 0 0 344.461 4.371 50 0 EIAARN COc1ccc(OC)c(/C=C\C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000096571318 564148879 /nfs/dbraw/zinc/14/88/79/564148879.db2.gz XJZHXZJIIUVBKO-WTKPLQERSA-N 0 0 331.799 4.318 50 0 EIAARN Cc1ccc(N[C@@H]2CCSc3ccccc32)cc1NS(C)(=O)=O ZINC000097038143 564149276 /nfs/dbraw/zinc/14/92/76/564149276.db2.gz FNRZWDQLSMAVRH-OAHLLOKOSA-N 0 0 348.493 4.016 50 0 EIAARN CC(C)c1ocnc1C[S@](=O)Cc1cccc(Br)c1 ZINC000097047718 564149310 /nfs/dbraw/zinc/14/93/10/564149310.db2.gz ZPPAXTQMFGOIKD-IBGZPJMESA-N 0 0 342.258 4.009 50 0 EIAARN CC(C)c1cnc(CNc2ccc(Oc3cccnc3)nc2)s1 ZINC000097085402 564149373 /nfs/dbraw/zinc/14/93/73/564149373.db2.gz GIHVEWFZEYWIDS-UHFFFAOYSA-N 0 0 326.425 4.461 50 0 EIAARN Fc1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 ZINC000002471869 564149696 /nfs/dbraw/zinc/14/96/96/564149696.db2.gz DOUNKNPLRLVWTH-CABCVRRESA-N 0 0 346.768 4.356 50 0 EIAARN CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(F)ccc1F ZINC000027975788 564149837 /nfs/dbraw/zinc/14/98/37/564149837.db2.gz RHWPECKTVPNLIB-SFHVURJKSA-N 0 0 331.362 4.250 50 0 EIAARN Cc1ccc([C@@H]2CC(c3ccc(C(C)C)cc3)=Nc3nnnn32)cc1 ZINC000002500092 564149972 /nfs/dbraw/zinc/14/99/72/564149972.db2.gz BAVJCMLMJYNOQG-IBGZPJMESA-N 0 0 331.423 4.161 50 0 EIAARN O=C(NCc1ccc(Oc2nccs2)cc1)Nc1cccs1 ZINC000225647796 564150107 /nfs/dbraw/zinc/15/01/07/564150107.db2.gz LAUZSBWLSVJUHV-UHFFFAOYSA-N 0 0 331.422 4.319 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)NCc1ccnc(-c2cccs2)c1 ZINC000225651803 564150161 /nfs/dbraw/zinc/15/01/61/564150161.db2.gz FJDJSUSDXZNSQH-UHFFFAOYSA-N 0 0 347.443 4.150 50 0 EIAARN O=C(Nc1ccccc1Cl)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000225679843 564150223 /nfs/dbraw/zinc/15/02/23/564150223.db2.gz SVCACVNLXDYQND-CYBMUJFWSA-N 0 0 344.798 4.090 50 0 EIAARN CN(Cc1ccco1)C(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000225688870 564150296 /nfs/dbraw/zinc/15/02/96/564150296.db2.gz NDXBYZFNZWQVKH-UHFFFAOYSA-N 0 0 346.477 4.401 50 0 EIAARN O=C(NC[C@@H](O)c1csc2ccccc21)c1c(F)cccc1Cl ZINC000225692865 564150312 /nfs/dbraw/zinc/15/03/12/564150312.db2.gz KBWJVOCPCBCCKG-CQSZACIVSA-N 0 0 349.814 4.157 50 0 EIAARN CCCC[C@H](C)C(=O)N1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000225703100 564150350 /nfs/dbraw/zinc/15/03/50/564150350.db2.gz GYCIQVZZTQIYQQ-LBPRGKRZSA-N 0 0 343.393 4.028 50 0 EIAARN O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000002520622 564150370 /nfs/dbraw/zinc/15/03/70/564150370.db2.gz KPXHWSGKQQHTKB-UHFFFAOYSA-N 0 0 338.190 4.407 50 0 EIAARN Cc1cccc(NC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1 ZINC000028220225 564150708 /nfs/dbraw/zinc/15/07/08/564150708.db2.gz LGTOEWFUKMNOBD-UHFFFAOYSA-N 0 0 326.787 4.478 50 0 EIAARN O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1nccs1 ZINC000028249733 564150899 /nfs/dbraw/zinc/15/08/99/564150899.db2.gz GSXQAMFPFOPZKU-UHFFFAOYSA-N 0 0 337.615 4.121 50 0 EIAARN O=C(CCCc1ccccc1)Nc1ccc(-n2cc(Cl)cn2)cc1 ZINC000028303556 564150960 /nfs/dbraw/zinc/15/09/60/564150960.db2.gz XAAPFZFRTRHNEH-UHFFFAOYSA-N 0 0 339.826 4.487 50 0 EIAARN CCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21 ZINC000002601787 564151128 /nfs/dbraw/zinc/15/11/28/564151128.db2.gz REVYVAXBRVQJMR-UHFFFAOYSA-N 0 0 341.480 4.261 50 0 EIAARN CCSc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1 ZINC000002624312 564151280 /nfs/dbraw/zinc/15/12/80/564151280.db2.gz CUCBCYKFIWFQRY-UHFFFAOYSA-N 0 0 325.437 4.363 50 0 EIAARN Cc1cccc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)c1 ZINC000028575400 564151581 /nfs/dbraw/zinc/15/15/81/564151581.db2.gz GZIPUNWXLXXRAT-UHFFFAOYSA-N 0 0 341.798 4.134 50 0 EIAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000002636409 564151592 /nfs/dbraw/zinc/15/15/92/564151592.db2.gz OEGLJUSABBZLNU-SNVBAGLBSA-N 0 0 342.247 4.133 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000028575735 564151609 /nfs/dbraw/zinc/15/16/09/564151609.db2.gz FKQVKPRBBFBAKO-OKILXGFUSA-N 0 0 331.387 4.116 50 0 EIAARN COc1ccc(NC(=O)COc2cc(C(C)C)ccc2C)cc1OC ZINC000002640036 564151654 /nfs/dbraw/zinc/15/16/54/564151654.db2.gz YCBDGQFCBFXPPU-UHFFFAOYSA-N 0 0 343.423 4.153 50 0 EIAARN COc1ccccc1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002651279 564151910 /nfs/dbraw/zinc/15/19/10/564151910.db2.gz SLWCKPXOGISXMR-UHFFFAOYSA-N 0 0 342.395 4.139 50 0 EIAARN O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(-c2ccccc2)cc1 ZINC000002654493 564151975 /nfs/dbraw/zinc/15/19/75/564151975.db2.gz CNYLHLSCKMKBRP-UHFFFAOYSA-N 0 0 345.398 4.306 50 0 EIAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nc(C)c1C ZINC000002657961 564151986 /nfs/dbraw/zinc/15/19/86/564151986.db2.gz WNVNJQOWCXBHEH-LBPRGKRZSA-N 0 0 335.860 4.175 50 0 EIAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000002656677 564152001 /nfs/dbraw/zinc/15/20/01/564152001.db2.gz DZUOLRKXEGWWSD-INIZCTEOSA-N 0 0 335.325 4.393 50 0 EIAARN CCn1c(SC(=O)NC2CCCCC2)nnc1-c1cccs1 ZINC000002657923 564152006 /nfs/dbraw/zinc/15/20/06/564152006.db2.gz WOGULGPHXFTJTL-UHFFFAOYSA-N 0 0 336.486 4.161 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C)oc1C ZINC000002664010 564152111 /nfs/dbraw/zinc/15/21/11/564152111.db2.gz DRKZJSHTUHELDD-LBPRGKRZSA-N 0 0 329.396 4.205 50 0 EIAARN Cc1c(C(=O)Nc2cccc(C)c2C)nnn1-c1ccc(Cl)cc1 ZINC000002713210 564152201 /nfs/dbraw/zinc/15/22/01/564152201.db2.gz RPXLGGMQDFXXTO-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN COc1ccccc1OCc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000002752652 564152460 /nfs/dbraw/zinc/15/24/60/564152460.db2.gz JUWHMAHIPNWECV-UHFFFAOYSA-N 0 0 334.371 4.493 50 0 EIAARN Cc1ccc([C@@H]2C[C@@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 ZINC000002786800 564152611 /nfs/dbraw/zinc/15/26/11/564152611.db2.gz KUBBTCLXNNKWNA-GJZGRUSLSA-N 0 0 346.459 4.407 50 0 EIAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C)C ZINC000002889603 564152957 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564154269 /nfs/dbraw/zinc/15/42/69/564154269.db2.gz DJGXFDVNORQJGE-UHFFFAOYSA-N 0 0 348.446 4.352 50 0 EIAARN CC(C)[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 ZINC000057452437 564154332 /nfs/dbraw/zinc/15/43/32/564154332.db2.gz XBPBNVRLQHBGRH-UXHICEINSA-N 0 0 340.442 4.132 50 0 EIAARN CCOCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003036413 564154576 /nfs/dbraw/zinc/15/45/76/564154576.db2.gz UCXXCHMKRUDYRH-UHFFFAOYSA-N 0 0 334.419 4.058 50 0 EIAARN Cc1ccc(Nc2n[nH]nc2C(=O)Nc2cccc(C)c2C)cc1C ZINC000057510683 564154611 /nfs/dbraw/zinc/15/46/11/564154611.db2.gz PXCMYBIXJSTHNR-UHFFFAOYSA-N 0 0 335.411 4.034 50 0 EIAARN Cc1ccc(-c2noc(-c3n[nH]c4c3CCc3ccccc3-4)n2)cc1 ZINC000057509586 564154618 /nfs/dbraw/zinc/15/46/18/564154618.db2.gz UASHWTAWQWMVDD-UHFFFAOYSA-N 0 0 328.375 4.201 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000003120076 564155258 /nfs/dbraw/zinc/15/52/58/564155258.db2.gz RUKXPIPXMXSUKU-UHFFFAOYSA-N 0 0 349.287 4.283 50 0 EIAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000030263414 564155742 /nfs/dbraw/zinc/15/57/42/564155742.db2.gz SSODUMGGLVXYSW-LLVKDONJSA-N 0 0 340.370 4.317 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1c(Cl)nc2sccn21 ZINC000003183437 564155774 /nfs/dbraw/zinc/15/57/74/564155774.db2.gz MICTVZGUYBXSEP-UHFFFAOYSA-N 0 0 345.733 4.320 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc2c(s1)CCC2 ZINC000057817372 564155939 /nfs/dbraw/zinc/15/59/39/564155939.db2.gz FSGADCHGBLZTJN-UHFFFAOYSA-N 0 0 335.432 4.255 50 0 EIAARN Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)s1 ZINC000057838042 564156039 /nfs/dbraw/zinc/15/60/39/564156039.db2.gz BWJNUEOMYHBPQY-SFHVURJKSA-N 0 0 345.464 4.345 50 0 EIAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1 ZINC000003217122 564156089 /nfs/dbraw/zinc/15/60/89/564156089.db2.gz YSUMLZAQFUHZRK-AWEZNQCLSA-N 0 0 343.398 4.064 50 0 EIAARN S=C(NNc1ccnc2cc(Cl)ccc21)NC1CCCCC1 ZINC000003225717 564156246 /nfs/dbraw/zinc/15/62/46/564156246.db2.gz CZQOEFYISQODDH-UHFFFAOYSA-N 0 0 334.876 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ZINC000040511404 564170248 /nfs/dbraw/zinc/17/02/48/564170248.db2.gz KJECDRAJDDZQIL-NSHDSACASA-N 0 0 348.834 4.146 50 0 EIAARN CCCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21 ZINC000009136990 564170391 /nfs/dbraw/zinc/17/03/91/564170391.db2.gz OPKLASCEJSJQOC-UHFFFAOYSA-N 0 0 328.437 4.080 50 0 EIAARN CN(C(=O)c1cccs1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069570520 564170606 /nfs/dbraw/zinc/17/06/06/564170606.db2.gz TWNBKXRAGSVCOW-KRWDZBQOSA-N 0 0 326.396 4.144 50 0 EIAARN Cc1noc([C@H](C)NC(=O)Nc2ccc(SC3CCCC3)cc2)n1 ZINC000069588547 564170694 /nfs/dbraw/zinc/17/06/94/564170694.db2.gz MRHJFDWHSOIJCS-NSHDSACASA-N 0 0 346.456 4.295 50 0 EIAARN C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccncc2)cs1 ZINC000069618688 564170936 /nfs/dbraw/zinc/17/09/36/564170936.db2.gz GCZQWOUXRFFWAX-AWEZNQCLSA-N 0 0 337.448 4.015 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000069621683 564170962 /nfs/dbraw/zinc/17/09/62/564170962.db2.gz HGYLXANROCDRIE-UHFFFAOYSA-N 0 0 349.862 4.064 50 0 EIAARN CCCN(Cc1ccccc1)C(=O)Nc1ccc(Cn2ccnc2)cc1 ZINC000069629188 564171088 /nfs/dbraw/zinc/17/10/88/564171088.db2.gz GWCCFLHLJWCEDI-UHFFFAOYSA-N 0 0 348.450 4.376 50 0 EIAARN Cc1noc(C)c1CNC(=O)N[C@H](C)c1oc2ccc(F)cc2c1C ZINC000069697564 564171510 /nfs/dbraw/zinc/17/15/10/564171510.db2.gz PUCHFXZZZBRVNA-LLVKDONJSA-N 0 0 345.374 4.046 50 0 EIAARN CC(=O)Nc1cc(NC(=O)N(C)C2[C@@H](C)CCC[C@@H]2C)ccc1C ZINC000069699648 564171557 /nfs/dbraw/zinc/17/15/57/564171557.db2.gz OKTBMLZBBRSDEU-KBPBESRZSA-N 0 0 331.460 4.242 50 0 EIAARN CCOc1ccccc1C[S@@](=O)Cc1ncc(-c2ccccc2)o1 ZINC000069705088 564171658 /nfs/dbraw/zinc/17/16/58/564171658.db2.gz JVMWQAZTMGQRMG-DEOSSOPVSA-N 0 0 341.432 4.189 50 0 EIAARN CN(C(=O)c1ccccc1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000069773009 564172089 /nfs/dbraw/zinc/17/20/89/564172089.db2.gz PAPTYCCYDDEWQB-LJQANCHMSA-N 0 0 338.357 4.221 50 0 EIAARN CCc1c(NC(=O)[C@@H]2CCCc3ccccc32)n[nH]c1-c1ccncc1 ZINC000069776252 564172127 /nfs/dbraw/zinc/17/21/27/564172127.db2.gz 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/nfs/dbraw/zinc/17/46/26/564174626.db2.gz CTDWIJAQCFFCBU-CYBMUJFWSA-N 0 0 331.437 4.213 50 0 EIAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1OC ZINC000071280800 564174857 /nfs/dbraw/zinc/17/48/57/564174857.db2.gz OKSYZKRDHXPKGR-CQSZACIVSA-N 0 0 341.411 4.139 50 0 EIAARN O=C(NCc1ccccc1Cl)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000042383530 564174987 /nfs/dbraw/zinc/17/49/87/564174987.db2.gz YEERWGMFXSMHAV-UHFFFAOYSA-N 0 0 328.774 4.404 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)Nc1nc2ccccc2s1 ZINC000010100905 564175035 /nfs/dbraw/zinc/17/50/35/564175035.db2.gz HTUWWBBMYTZZLX-UHFFFAOYSA-N 0 0 336.420 4.142 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H](CCc3ccccc3C)C2)ccc1O ZINC000071750310 564175262 /nfs/dbraw/zinc/17/52/62/564175262.db2.gz QPGQPBQQGQGQRJ-GOSISDBHSA-N 0 0 337.463 4.494 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c2ccccc2n1 ZINC000071796549 564175376 /nfs/dbraw/zinc/17/53/76/564175376.db2.gz QYMSAJZUZDPENJ-INIZCTEOSA-N 0 0 348.450 4.032 50 0 EIAARN c1csc(-c2nc3ccccc3c(N3CCCSCC3)n2)c1 ZINC000071811084 564175616 /nfs/dbraw/zinc/17/56/16/564175616.db2.gz JPLXSYDHIMIUII-UHFFFAOYSA-N 0 0 327.478 4.302 50 0 EIAARN Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1C ZINC000071835008 564175807 /nfs/dbraw/zinc/17/58/07/564175807.db2.gz YTOPHZKBPRXTJH-OALUTQOASA-N 0 0 339.435 4.070 50 0 EIAARN CCOc1ccccc1C1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000071841886 564175839 /nfs/dbraw/zinc/17/58/39/564175839.db2.gz CKHVSDFBSHMTDT-UHFFFAOYSA-N 0 0 344.480 4.178 50 0 EIAARN O=C(CCCc1nc2ccccc2o1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000071847955 564176002 /nfs/dbraw/zinc/17/60/02/564176002.db2.gz RAEBRTNCRWLDCF-CVEARBPZSA-N 0 0 326.440 4.189 50 0 EIAARN CNC(=O)c1sc(COc2ccccc2-c2ccccc2)nc1C ZINC000077577060 564176759 /nfs/dbraw/zinc/17/67/59/564176759.db2.gz GHLQYQWRXYJLMI-UHFFFAOYSA-N 0 0 338.432 4.057 50 0 EIAARN C[C@@H](NC(=O)c1cccnc1SC1CCCC1)c1ccccn1 ZINC000077561003 564176761 /nfs/dbraw/zinc/17/67/61/564176761.db2.gz DDOIOLVZBNZNLF-CYBMUJFWSA-N 0 0 327.453 4.002 50 0 EIAARN C[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000077669980 564176812 /nfs/dbraw/zinc/17/68/12/564176812.db2.gz KVTZTYGQNJSRSS-NWDGAFQWSA-N 0 0 335.810 4.338 50 0 EIAARN O=C(N[C@H](Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccccc1 ZINC000000390232 568414623 /nfs/dbraw/zinc/41/46/23/568414623.db2.gz HYTCPXYITPLCKV-HXUWFJFHSA-N 0 0 341.414 4.277 50 0 EIAARN O=[N+]([O-])c1cccc(C=NOCc2ccc(Cl)cc2Cl)c1 ZINC000254568028 1020720850 /nfs/dbraw/zinc/72/08/50/1020720850.db2.gz ZIFVCSOHVFNVOL-UHFFFAOYSA-N 0 0 325.151 4.452 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 ZINC000022088110 1020967670 /nfs/dbraw/zinc/96/76/70/1020967670.db2.gz YMTSMCQGHDLKRO-UHFFFAOYSA-N 0 0 331.419 4.230 50 0 EIAARN Cc1ccc(CN2C[C@H](c3nc(-c4ccccc4F)c[nH]3)CC2=O)cc1 ZINC000023478579 1021730284 /nfs/dbraw/zinc/73/02/84/1021730284.db2.gz UHAHLJLSNGSNBQ-MRXNPFEDSA-N 0 0 349.409 4.040 50 0 EIAARN CCC[C@H](C)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000295608696 1022373528 /nfs/dbraw/zinc/37/35/28/1022373528.db2.gz MCYXNEQXLIXTRC-JTQLQIEISA-N 0 0 334.407 4.304 50 0 EIAARN CC(C)CC(=O)N1CCCCC[C@H]1c1nnc(-c2ccccc2)o1 ZINC000257182438 1022657923 /nfs/dbraw/zinc/65/79/23/1022657923.db2.gz GNIWVVTXSWFZAY-INIZCTEOSA-N 0 0 327.428 4.226 50 0 EIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](c2ccsc2)C1 ZINC000675008420 1023310898 /nfs/dbraw/zinc/31/08/98/1023310898.db2.gz XSBLHLBMDOILPV-GFCCVEGCSA-N 0 0 325.355 4.397 50 0 EIAARN O=C(NCCc1nc(C2CCCCC2)cs1)c1cc[nH]c1C1CC1 ZINC000284149669 1023674922 /nfs/dbraw/zinc/67/49/22/1023674922.db2.gz XEZQHOKSQMQDLD-UHFFFAOYSA-N 0 0 343.496 4.369 50 0 EIAARN CCOc1ccc2nc(NC(=O)[C@H]3CCC(F)(F)C3)sc2c1 ZINC000331787968 1023759193 /nfs/dbraw/zinc/75/91/93/1023759193.db2.gz ROJIRUDXMHFMLA-VIFPVBQESA-N 0 0 326.368 4.069 50 0 EIAARN C[C@@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@@H](C)O1 ZINC000294889713 1023759655 /nfs/dbraw/zinc/75/96/55/1023759655.db2.gz YFKWCOPHWYSMNM-IIDMSEBBSA-N 0 0 331.460 4.072 50 0 EIAARN Oc1ccc(CNc2cccc(Br)c2)c2cccnc12 ZINC000003105071 1023886709 /nfs/dbraw/zinc/88/67/09/1023886709.db2.gz LDWSQVIRIOHXTN-UHFFFAOYSA-N 0 0 329.197 4.315 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2cnc(-c3ccccc3)s2)on1 ZINC000048354921 1024490778 /nfs/dbraw/zinc/49/07/78/1024490778.db2.gz JFCWBJYDKCINKS-CQSZACIVSA-N 0 0 339.420 4.084 50 0 EIAARN Cc1nc(-n2cccc2)sc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000049006233 1024789945 /nfs/dbraw/zinc/78/99/45/1024789945.db2.gz XOLKNIVHTIYPDM-UHFFFAOYSA-N 0 0 349.459 4.172 50 0 EIAARN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)c1ncccc1F ZINC000888100254 1026024152 /nfs/dbraw/zinc/02/41/52/1026024152.db2.gz ZMEKGFZXIRHFHT-RDJZCZTQSA-N 0 0 341.430 4.445 50 0 EIAARN CC(C)[C@@H](CNC(=O)Nc1ccc2sncc2c1)c1cccnc1 ZINC000194293779 1026099902 /nfs/dbraw/zinc/09/99/02/1026099902.db2.gz PFBNKZRSJITECZ-MRXNPFEDSA-N 0 0 340.452 4.253 50 0 EIAARN O=P(OCC(F)(F)F)(OCC(F)(F)F)Oc1ccccc1 ZINC000002900569 1026953320 /nfs/dbraw/zinc/95/33/20/1026953320.db2.gz AJXRTTSGWQAEJK-UHFFFAOYSA-N 0 0 338.140 4.331 50 0 EIAARN Cc1nsc(C)c1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000328939274 1027831399 /nfs/dbraw/zinc/83/13/99/1027831399.db2.gz RYGHZVUWSQXPPQ-AWEZNQCLSA-N 0 0 341.436 4.269 50 0 EIAARN C[Si](C)(C)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169816445 1029089312 /nfs/dbraw/zinc/08/93/12/1029089312.db2.gz DDGPCGHQVGLGHU-UHFFFAOYSA-N 0 0 346.622 4.034 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000015837574 1029117897 /nfs/dbraw/zinc/11/78/97/1029117897.db2.gz BHYLOFOWORTDQK-HNNXBMFYSA-N 0 0 344.436 4.294 50 0 EIAARN CC(C)c1c(NC(=O)NCC[C@@H]2CC2(F)F)cnn1-c1ccccc1 ZINC000621459534 1030732216 /nfs/dbraw/zinc/73/22/16/1030732216.db2.gz HEWFGDLVKBALPZ-CYBMUJFWSA-N 0 0 348.397 4.163 50 0 EIAARN O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1Cl ZINC000003187858 1030820666 /nfs/dbraw/zinc/82/06/66/1030820666.db2.gz UZAPFSQSPLZCGO-SOFGYWHQSA-N 0 0 326.577 4.347 50 0 EIAARN O=C(/C=C\c1ccccn1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000047519931 1034770430 /nfs/dbraw/zinc/77/04/30/1034770430.db2.gz ISFHLRXYAMAWCN-NTMALXAHSA-N 0 0 336.391 4.165 50 0 EIAARN CCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)NC1=S ZINC000005898267 1035451006 /nfs/dbraw/zinc/45/10/06/1035451006.db2.gz AZLNHNIBTRWSMB-GXDHUFHOSA-N 0 0 346.839 4.068 50 0 EIAARN COc1cccc(C)c1NC(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000847177078 1035569762 /nfs/dbraw/zinc/56/97/62/1035569762.db2.gz LDCRQLHTCKKBAQ-GFCCVEGCSA-N 0 0 326.387 4.339 50 0 EIAARN Cc1ccc(N2C[C@@H](c3noc(-c4ccc(C)cc4C)n3)CC2=O)cc1 ZINC000169755258 1036316180 /nfs/dbraw/zinc/31/61/80/1036316180.db2.gz VWTRCFBSMUWGQR-INIZCTEOSA-N 0 0 347.418 4.182 50 0 EIAARN FC(F)(F)COc1ccc(OCc2noc3c2CCCC3)cc1 ZINC000174208586 1038874160 /nfs/dbraw/zinc/87/41/60/1038874160.db2.gz LUFROZDMZXZRBL-UHFFFAOYSA-N 0 0 327.302 4.074 50 0 EIAARN O=C(CCc1cccnc1)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096935581 1039846339 /nfs/dbraw/zinc/84/63/39/1039846339.db2.gz XAMVNQVJXHBNBV-LUAWRHEFSA-N 0 0 329.403 4.218 50 0 EIAARN CCOc1ccccc1NC(=O)/C=C\c1ccc(Br)o1 ZINC000033736670 1039849965 /nfs/dbraw/zinc/84/99/65/1039849965.db2.gz QDTIHZYCPWRYHS-NTMALXAHSA-N 0 0 336.185 4.093 50 0 EIAARN FC(F)(F)c1cccc(-c2nnn(C/C=C\c3ccccc3)n2)c1 ZINC000096481769 1040888232 /nfs/dbraw/zinc/88/82/32/1040888232.db2.gz ALALMSZWPASRMZ-YVMONPNESA-N 0 0 330.313 4.072 50 0 EIAARN COc1cc(C)c(NC(=O)/C=C\c2ccc(Cl)cc2)cc1OC ZINC000096600633 1040997863 /nfs/dbraw/zinc/99/78/63/1040997863.db2.gz APWWVVNBAVKFNF-TWGQIWQCSA-N 0 0 331.799 4.318 50 0 EIAARN O=C1Oc2ccccc2/C1=C\c1ccc(OCc2cscn2)cc1 ZINC000084576880 1041228019 /nfs/dbraw/zinc/22/80/19/1041228019.db2.gz ZLDWHZUHCIVEMP-RQZCQDPDSA-N 0 0 335.384 4.182 50 0 EIAARN O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1N1CCCCC1 ZINC000007056719 1042183169 /nfs/dbraw/zinc/18/31/69/1042183169.db2.gz LQULQAWLQXXFPM-DTQAZKPQSA-N 0 0 342.464 4.090 50 0 EIAARN CC(C)[C@@H](NC(=O)Nc1cccnn1)c1cccc(C(F)(F)F)c1 ZINC000151776494 1042492465 /nfs/dbraw/zinc/49/24/65/1042492465.db2.gz DRAXKXGPJUDHKQ-CQSZACIVSA-N 0 0 338.333 4.014 50 0 EIAARN O=C(/C=C\c1ccc(Cl)cc1)Nc1ccnn1Cc1cccs1 ZINC000212298073 1042919632 /nfs/dbraw/zinc/91/96/32/1042919632.db2.gz RSOCWIOMMQPZTQ-YVMONPNESA-N 0 0 343.839 4.298 50 0 EIAARN CN(C)c1cccc(C(=O)NCc2ccc(-c3ccsc3)o2)c1 ZINC000618255527 1043155107 /nfs/dbraw/zinc/15/51/07/1043155107.db2.gz DOYVVPRKIOVDIP-UHFFFAOYSA-N 0 0 326.421 4.004 50 0 EIAARN Cn1ncc(C2CC2)c1/C=C(/Cl)c1nc2cc(F)c(F)cc2[nH]1 ZINC000849243290 1043855565 /nfs/dbraw/zinc/85/55/65/1043855565.db2.gz IAJXWJMWSWELDY-ONNFQVAWSA-N 0 0 334.757 4.189 50 0 EIAARN Cc1cc(C)n(CCCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)n1 ZINC000820996374 1043898478 /nfs/dbraw/zinc/89/84/78/1043898478.db2.gz JQHYGMLLHRZFGJ-KRWDZBQOSA-N 0 0 341.499 4.153 50 0 EIAARN C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)c2cncs2)C1 ZINC000822416777 1044091132 /nfs/dbraw/zinc/09/11/32/1044091132.db2.gz MCZUBHAJOYZUIM-LLVKDONJSA-N 0 0 335.860 4.285 50 0 EIAARN CCCc1nc(C)c(CNC(=O)C[C@H]2CCc3ccccc32)s1 ZINC000823015160 1044208045 /nfs/dbraw/zinc/20/80/45/1044208045.db2.gz GTWBORWATQZGSR-OAHLLOKOSA-N 0 0 328.481 4.140 50 0 EIAARN CSc1ncccc1C(=O)N[C@@H](c1ccsc1)c1cccs1 ZINC000824959796 1044569396 /nfs/dbraw/zinc/56/93/96/1044569396.db2.gz VNEVDHAXTZXQDS-AWEZNQCLSA-N 0 0 346.502 4.446 50 0 EIAARN Cc1[nH]c2ccccc2c1CC(=O)Nc1cc(C2CCCC2)nn1C ZINC000182283264 1044682998 /nfs/dbraw/zinc/68/29/98/1044682998.db2.gz ZBJXXYNWOFFJHZ-UHFFFAOYSA-N 0 0 336.439 4.049 50 0 EIAARN O=C(CC1CCC(C(F)(F)F)CC1)Nc1nc2ccccc2[nH]1 ZINC000182912371 1044839497 /nfs/dbraw/zinc/83/94/97/1044839497.db2.gz VLCZXCHGAXXVMM-UHFFFAOYSA-N 0 0 325.334 4.260 50 0 EIAARN C[C@]1(C(=O)Nc2ccccc2OCCCc2ccccc2)CCCO1 ZINC000827660305 1044880545 /nfs/dbraw/zinc/88/05/45/1044880545.db2.gz VBNNZEIRHMJYEW-OAQYLSRUSA-N 0 0 339.435 4.206 50 0 EIAARN O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccc(CSc2ccccn2)cc1 ZINC000828157758 1044945131 /nfs/dbraw/zinc/94/51/31/1044945131.db2.gz KJNALDKXXJXUSI-BPQIPLTHSA-N 0 0 338.476 4.292 50 0 EIAARN Cc1ccc(OCC[C@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1 ZINC000575313879 1045208981 /nfs/dbraw/zinc/20/89/81/1045208981.db2.gz FRYZJURJSWQKRK-QGZVFWFLSA-N 0 0 348.446 4.408 50 0 EIAARN COc1cc2c(cc1/C=C1/C(=O)Nc3ccc(Cl)cc31)O[C@H](C)C2 ZINC000032674130 1045890977 /nfs/dbraw/zinc/89/09/77/1045890977.db2.gz GCYMNEAJYZPUOB-UWJMNNEMSA-N 0 0 341.794 4.165 50 0 EIAARN CCCn1c(C)cc(-c2csc(NC(=O)[C@@H](C)OCC)n2)c1C ZINC000079003948 1046167503 /nfs/dbraw/zinc/16/75/03/1046167503.db2.gz WBKLIZBNRGXTFI-CYBMUJFWSA-N 0 0 335.473 4.002 50 0 EIAARN CCOc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1OC ZINC000033476404 1047341815 /nfs/dbraw/zinc/34/18/15/1047341815.db2.gz QLYDMOPTKUIJPP-ZROIWOOFSA-N 0 0 329.783 4.240 50 0 EIAARN CN(C(=O)c1occ2c1CCC2)[C@@H](c1ccccc1)c1ccccn1 ZINC000585081626 1049385288 /nfs/dbraw/zinc/38/52/88/1049385288.db2.gz DGAUCUCRNPTMQT-IBGZPJMESA-N 0 0 332.403 4.025 50 0 EIAARN C[C@@H](NC(=O)C1(c2cccs2)CCCCC1)c1ccncc1F ZINC000585080292 1049385714 /nfs/dbraw/zinc/38/57/14/1049385714.db2.gz ZCCQMCYCLXWIEG-CYBMUJFWSA-N 0 0 332.444 4.362 50 0 EIAARN CCOC1(C(=O)Nc2cccc(OCC(F)(F)F)c2C)CCCC1 ZINC000585081306 1049389969 /nfs/dbraw/zinc/38/99/69/1049389969.db2.gz WXPOMWLTXQPUQX-UHFFFAOYSA-N 0 0 345.361 4.224 50 0 EIAARN CC(=O)N1c2ccccc2C[C@H]1c1nc(C2CCC(C)(C)CC2)no1 ZINC000585084320 1049411842 /nfs/dbraw/zinc/41/18/42/1049411842.db2.gz JGMKTCWVPWIUFD-KRWDZBQOSA-N 0 0 339.439 4.404 50 0 EIAARN CC(C)(C)c1nc2cc(NC(=O)N3CC(C(F)(F)F)C3)ccc2o1 ZINC000585119831 1049580628 /nfs/dbraw/zinc/58/06/28/1049580628.db2.gz WPBTWMCAKBOCJS-UHFFFAOYSA-N 0 0 341.333 4.151 50 0 EIAARN CC1=Nc2ccccc2C12CCN(C(=O)C1(C(F)F)CCCC1)CC2 ZINC000585127362 1049601616 /nfs/dbraw/zinc/60/16/16/1049601616.db2.gz YJCLGLWTTYJQOW-UHFFFAOYSA-N 0 0 346.421 4.478 50 0 EIAARN CC(C)(CC(=O)N1CC[C@H](OC(F)F)C1)Cc1ccc(Cl)cc1 ZINC000952845310 1049676871 /nfs/dbraw/zinc/67/68/71/1049676871.db2.gz QUIJOPBJELZLRB-AWEZNQCLSA-N 0 0 345.817 4.139 50 0 EIAARN Cc1ccc(CNC(=O)N[C@H](CC(C)(C)C)c2cccnc2)cc1 ZINC000952963367 1049681046 /nfs/dbraw/zinc/68/10/46/1049681046.db2.gz JSSJGWDYQGSDML-GOSISDBHSA-N 0 0 325.456 4.367 50 0 EIAARN Cc1cc(F)c(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 ZINC000952885637 1049681247 /nfs/dbraw/zinc/68/12/47/1049681247.db2.gz FHXOUWVEEDHRKS-LSDHHAIUSA-N 0 0 340.826 4.257 50 0 EIAARN O=C(CSc1nc(-c2ccc(Cl)cc2)c[nH]1)Nc1ccccc1 ZINC000952963879 1049684529 /nfs/dbraw/zinc/68/45/29/1049684529.db2.gz MRWMYJLGXCANOX-UHFFFAOYSA-N 0 0 343.839 4.461 50 0 EIAARN CSc1ncc(C[N@@H+]2CCCC[C@H]2CCc2cccs2)cn1 ZINC000952968588 1049688137 /nfs/dbraw/zinc/68/81/37/1049688137.db2.gz FNGYAFNPJRYPHF-HNNXBMFYSA-N 0 0 333.526 4.247 50 0 EIAARN COc1ccc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC000952981722 1049688376 /nfs/dbraw/zinc/68/83/76/1049688376.db2.gz JWQJUUSVZNZFNK-OAHLLOKOSA-N 0 0 341.451 4.239 50 0 EIAARN CCN(C[C@@H]1CCCCO1)C(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000952992102 1049688852 /nfs/dbraw/zinc/68/88/52/1049688852.db2.gz WWFQPEBFRJCJDI-HNNXBMFYSA-N 0 0 349.858 4.355 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3n2C)c(C)c1 ZINC000952967701 1049689208 /nfs/dbraw/zinc/68/92/08/1049689208.db2.gz CSLCTKYOZZMFSK-UHFFFAOYSA-N 0 0 349.434 4.396 50 0 EIAARN Fc1ccc2ncnc(N3CCO[C@H](c4cccc(Cl)c4)C3)c2c1 ZINC000183971653 1051703069 /nfs/dbraw/zinc/70/30/69/1051703069.db2.gz WPWPPHWNXWGKDT-KRWDZBQOSA-N 0 0 343.789 4.000 50 0 EIAARN CCOc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C)c1Cl)CCO2 ZINC000185595983 1052654406 /nfs/dbraw/zinc/65/44/06/1052654406.db2.gz GMXIKDNTSMMQAS-INIZCTEOSA-N 0 0 345.826 4.301 50 0 EIAARN Cc1[nH]c2ccc(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)cc2c1C ZINC000048383295 1053316667 /nfs/dbraw/zinc/31/66/67/1053316667.db2.gz CCIGCWXVJODNOC-UHFFFAOYSA-N 0 0 349.434 4.175 50 0 EIAARN C[C@@H](NC(=O)N[C@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000054950660 1056684757 /nfs/dbraw/zinc/68/47/57/1056684757.db2.gz GWGRFVYQIRLIMW-CJNGLKHVSA-N 0 0 334.423 4.001 50 0 EIAARN Cc1cccc(C(=O)N2CC[C@H](CCOc3ccccc3F)C2)c1 ZINC000581788826 1059988847 /nfs/dbraw/zinc/98/88/47/1059988847.db2.gz XHZGAHIIRRAIIK-MRXNPFEDSA-N 0 0 327.399 4.065 50 0 EIAARN Cc1cnc(CCNC(=O)c2cccs2)n1C1CCCCCC1 ZINC000581815509 1060020678 /nfs/dbraw/zinc/02/06/78/1060020678.db2.gz LMSBJUMYIGCXJD-UHFFFAOYSA-N 0 0 331.485 4.121 50 0 EIAARN CCCn1c(C)cnc1C[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000581816853 1060024518 /nfs/dbraw/zinc/02/45/18/1060024518.db2.gz PIWNGTRXFDKIAG-QGZVFWFLSA-N 0 0 340.471 4.088 50 0 EIAARN O=C(c1cccc(-n2cccc2)c1)N1CCC(Nc2ccccc2)CC1 ZINC000050174645 214049911 /nfs/dbraw/zinc/04/99/11/214049911.db2.gz ARSNGQWYZUFGBE-UHFFFAOYSA-N 0 0 345.446 4.194 50 0 EIAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1C ZINC000004741601 210265299 /nfs/dbraw/zinc/26/52/99/210265299.db2.gz GQEHPCAIWUNTFY-IBGZPJMESA-N 0 0 347.418 4.197 50 0 EIAARN CC(C)c1nc(CN(C)Cc2ccccc2N2CCCC2)cs1 ZINC000051119750 214077635 /nfs/dbraw/zinc/07/76/35/214077635.db2.gz FKBIUVBQFQZDPO-UHFFFAOYSA-N 0 0 329.513 4.499 50 0 EIAARN O=C(Nc1cccc(Br)c1)Nc1ccc(F)c(F)c1 ZINC000051354348 214089920 /nfs/dbraw/zinc/08/99/20/214089920.db2.gz UKWBJVODWPVHLZ-UHFFFAOYSA-N 0 0 327.128 4.371 50 0 EIAARN COc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)CCC2 ZINC000004737024 210263968 /nfs/dbraw/zinc/26/39/68/210263968.db2.gz PJFBCFQSCDFQJM-UHFFFAOYSA-N 0 0 333.391 4.144 50 0 EIAARN Clc1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)cc1 ZINC000052075628 214116619 /nfs/dbraw/zinc/11/66/19/214116619.db2.gz SJGBLPLKJSWUNW-UHFFFAOYSA-N 0 0 329.787 4.148 50 0 EIAARN CC(C)N(Cc1nc2ccccc2n1C(F)F)Cc1ccccn1 ZINC000052218449 214123170 /nfs/dbraw/zinc/12/31/70/214123170.db2.gz GBVVGTDADNWQJV-UHFFFAOYSA-N 0 0 330.382 4.237 50 0 EIAARN C[C@@H]1CCc2sc3[nH]c(SCc4ccccc4)nc(=O)c3c2C1 ZINC000004730790 210262179 /nfs/dbraw/zinc/26/21/79/210262179.db2.gz AQRQBFGZRXEKMX-LLVKDONJSA-N 0 0 342.489 4.402 50 0 EIAARN Cc1ncc(CN(C)c2nc(-c3ccncc3)nc3ccccc32)s1 ZINC000052447402 214129281 /nfs/dbraw/zinc/12/92/81/214129281.db2.gz IRXGYLPBAINBSW-UHFFFAOYSA-N 0 0 347.447 4.093 50 0 EIAARN Cc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl ZINC000004725426 210260859 /nfs/dbraw/zinc/26/08/59/210260859.db2.gz UFLSQQNLPQZDMF-UHFFFAOYSA-N 0 0 333.859 4.112 50 0 EIAARN CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(OC)nc1 ZINC000062580711 214723766 /nfs/dbraw/zinc/72/37/66/214723766.db2.gz DVRRALUZJMFPQZ-UHFFFAOYSA-N 0 0 346.430 4.353 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CC[C@H]2c2ccccc2)c1)c1ccco1 ZINC000053085884 214163140 /nfs/dbraw/zinc/16/31/40/214163140.db2.gz RIMPAJIFVPWCHR-SFHVURJKSA-N 0 0 346.386 4.119 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2ccccc2Cl)cc1 ZINC000052915867 214155166 /nfs/dbraw/zinc/15/51/66/214155166.db2.gz NNSPGUPYYYCWMX-SFHVURJKSA-N 0 0 329.827 4.255 50 0 EIAARN CCCCN1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000053193590 214168782 /nfs/dbraw/zinc/16/87/82/214168782.db2.gz FTKJVHFMJDTORQ-UHFFFAOYSA-N 0 0 335.403 4.412 50 0 EIAARN O=C(c1c[nH]nc1C1CCCCC1)N1CCCC[C@H]1c1cccnc1 ZINC000097729704 219051808 /nfs/dbraw/zinc/05/18/08/219051808.db2.gz FRETZZJSOMQVBK-SFHVURJKSA-N 0 0 338.455 4.220 50 0 EIAARN Cc1ccc(SCC(=O)NCCSCc2ccccc2C)cc1 ZINC000004699063 210252383 /nfs/dbraw/zinc/25/23/83/210252383.db2.gz ALPAWHSXMIEQNU-UHFFFAOYSA-N 0 0 345.533 4.445 50 0 EIAARN CC(C)c1ncc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)cn1 ZINC000097742648 219052459 /nfs/dbraw/zinc/05/24/59/219052459.db2.gz QLPUAKAUMZEZMH-GOSISDBHSA-N 0 0 335.455 4.204 50 0 EIAARN CC(C)c1ncc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)cn1 ZINC000097742649 219052610 /nfs/dbraw/zinc/05/26/10/219052610.db2.gz QLPUAKAUMZEZMH-SFHVURJKSA-N 0 0 335.455 4.204 50 0 EIAARN Cc1ccccc1C1=N/C(=C\c2ccc(Br)cc2)C(=O)O1 ZINC000004696548 210250934 /nfs/dbraw/zinc/25/09/34/210250934.db2.gz MTJVCNGTZGNANB-GDNBJRDFSA-N 0 0 342.192 4.102 50 0 EIAARN Cc1ccc([C@@H](CC(=O)NCCc2ccccn2)c2ccccc2)cc1 ZINC000055167669 214282017 /nfs/dbraw/zinc/28/20/17/214282017.db2.gz FFNWBLFSLYLLPF-QFIPXVFZSA-N 0 0 344.458 4.271 50 0 EIAARN CC(C)c1csc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)n1 ZINC000055182502 214284602 /nfs/dbraw/zinc/28/46/02/214284602.db2.gz ZRZOPZUKDHLDBJ-INIZCTEOSA-N 0 0 333.476 4.482 50 0 EIAARN CCc1ccc(CN(Cc2cccnc2)Cc2ccccc2OC)nc1 ZINC000055183297 214285918 /nfs/dbraw/zinc/28/59/18/214285918.db2.gz SDDMEKUEVKMRIV-UHFFFAOYSA-N 0 0 347.462 4.250 50 0 EIAARN COc1cccc(CN(CC(C)C)C(=O)c2cc(C(C)C)on2)c1 ZINC000055224892 214291120 /nfs/dbraw/zinc/29/11/20/214291120.db2.gz SVLYQTLCNGOLMB-UHFFFAOYSA-N 0 0 330.428 4.105 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccc(F)cc1 ZINC000004690353 210249456 /nfs/dbraw/zinc/24/94/56/210249456.db2.gz BYJRCOUZEVXWDC-UHFFFAOYSA-N 0 0 348.373 4.461 50 0 EIAARN Cc1cc2oc(=O)cc(C)c2cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000055270084 214299305 /nfs/dbraw/zinc/29/93/05/214299305.db2.gz PKGNUNDZIVETNS-UHFFFAOYSA-N 0 0 346.386 4.072 50 0 EIAARN CCC(CC)n1ncc(C)c1NC(=O)c1c[nH]nc1-c1cccs1 ZINC000055360558 214310963 /nfs/dbraw/zinc/31/09/63/214310963.db2.gz NGCLBCFZKUADEK-UHFFFAOYSA-N 0 0 343.456 4.257 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 ZINC000055393837 214318108 /nfs/dbraw/zinc/31/81/08/214318108.db2.gz SKEGTUULKQCGKD-UHFFFAOYSA-N 0 0 341.794 4.107 50 0 aggregator EIAARN c1cc(CN(Cc2nc3ccccc3[nH]2)Cc2cccnc2)cs1 ZINC000055414854 214322317 /nfs/dbraw/zinc/32/23/17/214322317.db2.gz 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/nfs/dbraw/zinc/36/91/66/214369166.db2.gz PWQNIQPGXQCHCT-UHFFFAOYSA-N 0 0 345.402 4.296 50 0 EIAARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccccn1 ZINC000004676956 210244795 /nfs/dbraw/zinc/24/47/95/210244795.db2.gz HCZLEFWWURSPCG-UHFFFAOYSA-N 0 0 345.402 4.165 50 0 EIAARN Cc1nc(C)c([C@@H](C)NC(=O)N2CCc3sccc3[C@H]2C)s1 ZINC000057283654 214415691 /nfs/dbraw/zinc/41/56/91/214415691.db2.gz OFZPNYLUYSOSKZ-GHMZBOCLSA-N 0 0 335.498 4.211 50 0 EIAARN N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)S1 ZINC000004673108 210242975 /nfs/dbraw/zinc/24/29/75/210242975.db2.gz CQHBVXCLFAUKIV-DHDCSXOGSA-N 0 0 344.823 4.058 50 0 EIAARN COc1ccccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000049929293 214035573 /nfs/dbraw/zinc/03/55/73/214035573.db2.gz GYPDFSIWTGCYKQ-OAHLLOKOSA-N 0 0 338.432 4.282 50 0 EIAARN Cc1cc(-c2csc(-c3cnccn3)n2)c(C)n1-c1nccs1 ZINC000057997155 214469998 /nfs/dbraw/zinc/46/99/98/214469998.db2.gz FMESSCKQQZICEX-UHFFFAOYSA-N 0 0 339.449 4.131 50 0 EIAARN Cc1ncsc1C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000058137214 214480950 /nfs/dbraw/zinc/48/09/50/214480950.db2.gz ISLFUAHWCKFRCW-UHFFFAOYSA-N 0 0 341.461 4.391 50 0 EIAARN Cc1cccc(C[S@@](=O)Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000058161542 214488105 /nfs/dbraw/zinc/48/81/05/214488105.db2.gz SNEKJEPKXGAIOT-QHCPKHFHSA-N 0 0 329.396 4.238 50 0 EIAARN O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccco1 ZINC000004661893 210240389 /nfs/dbraw/zinc/24/03/89/210240389.db2.gz KITZAEWYSRTBED-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1sccc1C ZINC000058249666 214517943 /nfs/dbraw/zinc/51/79/43/214517943.db2.gz JEMFYWFYEPORHI-UHFFFAOYSA-N 0 0 342.342 4.286 50 0 EIAARN Cc1noc(C)c1[C@H](c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000004656169 210238641 /nfs/dbraw/zinc/23/86/41/210238641.db2.gz ZEKHPEYYOIKDQJ-IBGZPJMESA-N 0 0 341.432 4.163 50 0 EIAARN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000004655894 210238094 /nfs/dbraw/zinc/23/80/94/210238094.db2.gz NZNPJNABCIXJEF-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN O=C(CCSCc1ccccn1)N[C@H]1CCSc2ccccc21 ZINC000058357200 214560871 /nfs/dbraw/zinc/56/08/71/214560871.db2.gz YLKYDJGZXKBAOJ-INIZCTEOSA-N 0 0 344.505 4.058 50 0 EIAARN C[C@@H]1CCCN(c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)C1 ZINC000058358078 214562036 /nfs/dbraw/zinc/56/20/36/214562036.db2.gz JZVDLPHZNJGSHH-CQSZACIVSA-N 0 0 341.480 4.173 50 0 EIAARN Cc1nc2cc(C(=O)N(Cc3ccco3)C3CCCC3)ccc2n1C ZINC000058363354 214562749 /nfs/dbraw/zinc/56/27/49/214562749.db2.gz PEYFVCVAVBQRON-UHFFFAOYSA-N 0 0 337.423 4.060 50 0 EIAARN COc1cccc2cc(C(=O)Nc3cccc4ccccc43)c(=N)oc21 ZINC000004637401 210235556 /nfs/dbraw/zinc/23/55/56/210235556.db2.gz FNRSHUDEQLQFKJ-UHFFFAOYSA-N 0 0 344.370 4.326 50 0 EIAARN Cc1cccc(-c2noc(C[S@](=O)Cc3ccccc3Cl)n2)c1 ZINC000058377570 214564664 /nfs/dbraw/zinc/56/46/64/214564664.db2.gz JNJQKSOVHICFLQ-QHCPKHFHSA-N 0 0 346.839 4.147 50 0 EIAARN Cc1nc(COc2ccc(CNc3ccc4c(c3)CCC4)cc2)no1 ZINC000063522517 214760014 /nfs/dbraw/zinc/76/00/14/214760014.db2.gz BWAIAACEWHNRTR-UHFFFAOYSA-N 0 0 335.407 4.058 50 0 EIAARN O=C(CN1CCc2ccccc21)Nc1ccc(NC2CCCCC2)cc1 ZINC000058414286 214578400 /nfs/dbraw/zinc/57/84/00/214578400.db2.gz QYHIWAQWKYXUTI-UHFFFAOYSA-N 0 0 349.478 4.432 50 0 EIAARN O=C(/C=C/c1cccc2cccnc12)NC[C@H]1CCCc2ccccc21 ZINC000058416468 214579375 /nfs/dbraw/zinc/57/93/75/214579375.db2.gz GTJLONVLCIEGTK-FBRRREGBSA-N 0 0 342.442 4.484 50 0 EIAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCC[C@H](C)CC1 ZINC000058423883 214583115 /nfs/dbraw/zinc/58/31/15/214583115.db2.gz DNJLYVNFWALJEU-AWEZNQCLSA-N 0 0 342.439 4.133 50 0 EIAARN COCCCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000049650853 214025253 /nfs/dbraw/zinc/02/52/53/214025253.db2.gz ZRBBTECBWTWVBN-UHFFFAOYSA-N 0 0 344.358 4.194 50 0 EIAARN O=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000004615856 210231865 /nfs/dbraw/zinc/23/18/65/210231865.db2.gz ZETZJVFIOOGMQK-UHFFFAOYSA-N 0 0 339.247 4.049 50 0 EIAARN COc1ccc(Cc2cnc(Nc3ncnc4ccccc43)s2)cc1 ZINC000058593174 214598234 /nfs/dbraw/zinc/59/82/34/214598234.db2.gz DJSXPWMLMYOXQL-UHFFFAOYSA-N 0 0 348.431 4.429 50 0 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343.386 4.485 50 0 EIAARN Cc1cccc(-c2nc(CCNC(=O)c3ccc(F)cc3)cs2)c1 ZINC000004570812 210223811 /nfs/dbraw/zinc/22/38/11/210223811.db2.gz XMSNQQIHHGXNBI-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN Cc1ccc(-c2nc(CCNC(=O)c3cccc(C)c3)cs2)cc1 ZINC000004570725 210223900 /nfs/dbraw/zinc/22/39/00/210223900.db2.gz MQVQVJNFKIKXGD-UHFFFAOYSA-N 0 0 336.460 4.399 50 0 EIAARN Cc1ccccc1-c1nnn(Cc2csc(C3CCCCC3)n2)n1 ZINC000060816354 214648714 /nfs/dbraw/zinc/64/87/14/214648714.db2.gz GURPCTQDBXHHFB-UHFFFAOYSA-N 0 0 339.468 4.201 50 0 EIAARN COC(=O)c1c(-c2ccccc2)cn2c1cccc2-c1ccccn1 ZINC000004542999 210218165 /nfs/dbraw/zinc/21/81/65/210218165.db2.gz UMAHPZBYZIBOHU-UHFFFAOYSA-N 0 0 328.371 4.455 50 0 EIAARN Cc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000098212247 219087647 /nfs/dbraw/zinc/08/76/47/219087647.db2.gz VFMUKYDJVWWHEI-QGZVFWFLSA-N 0 0 333.391 4.022 50 0 EIAARN Clc1ccc(/C=C/c2nn3c(nnc3-c3cccnc3)s2)cc1 ZINC000004540205 210216079 /nfs/dbraw/zinc/21/60/79/210216079.db2.gz 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/nfs/dbraw/zinc/20/29/83/210202983.db2.gz AALQHFRUHUEPGP-UHFFFAOYSA-N 0 0 339.420 4.166 50 0 EIAARN CC(C)(C)OC(=O)N1CCC(Oc2ccccc2C(F)(F)F)CC1 ZINC000064034222 214778176 /nfs/dbraw/zinc/77/81/76/214778176.db2.gz NMYLUTZGNZLFET-UHFFFAOYSA-N 0 0 345.361 4.484 50 0 EIAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(C)(C)C ZINC000004487177 210199804 /nfs/dbraw/zinc/19/98/04/210199804.db2.gz BSDILMXDTBLHQK-UHFFFAOYSA-N 0 0 335.835 4.173 50 0 EIAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000100580390 219101706 /nfs/dbraw/zinc/10/17/06/219101706.db2.gz KBSWKXKTLUQVDA-NIKGAXFTSA-N 0 0 335.403 4.405 50 0 EIAARN Cc1c(Cl)cccc1N1C(=O)C[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000100559953 219101786 /nfs/dbraw/zinc/10/17/86/219101786.db2.gz XJFOGXZKJDUBSP-ZDUSSCGKSA-N 0 0 348.229 4.424 50 0 EIAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)c1 ZINC000004479478 210198244 /nfs/dbraw/zinc/19/82/44/210198244.db2.gz DCAUSQSZXRFKEB-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN O=C(CCSc1nnc2ccc3ccccc3n21)Nc1ccccc1 ZINC000004426062 210191200 /nfs/dbraw/zinc/19/12/00/210191200.db2.gz OQNGUKBDBGYYDH-UHFFFAOYSA-N 0 0 348.431 4.003 50 0 EIAARN Cc1ccc2[nH]c(SCc3nc(-c4cccs4)no3)nc2c1 ZINC000004385887 210184875 /nfs/dbraw/zinc/18/48/75/210184875.db2.gz OLNMRMBNJWZUJP-UHFFFAOYSA-N 0 0 328.422 4.275 50 0 EIAARN C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccc(F)cc1 ZINC000004393790 210187285 /nfs/dbraw/zinc/18/72/85/210187285.db2.gz JPUSHEKTPNKYBC-CYBMUJFWSA-N 0 0 339.366 4.054 50 0 EIAARN Cc1cc(=O)oc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc12 ZINC000004387664 210186553 /nfs/dbraw/zinc/18/65/53/210186553.db2.gz FUNYDQIYEMDREH-UHFFFAOYSA-N 0 0 338.403 4.223 50 0 EIAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000004390550 210185909 /nfs/dbraw/zinc/18/59/09/210185909.db2.gz NWNMCIJYDBZWRX-OAHLLOKOSA-N 0 0 339.435 4.399 50 0 EIAARN O=C1[C@@H]2CC(Cl)=CC[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100974692 219112910 /nfs/dbraw/zinc/11/29/10/219112910.db2.gz OYCALXJOVMZJNH-VHSXEESVSA-N 0 0 330.598 4.016 50 0 EIAARN COC(=O)c1cc(OCc2ccc(F)cc2)c2cc(C)ccc2n1 ZINC000064775167 214803968 /nfs/dbraw/zinc/80/39/68/214803968.db2.gz LFZYOILJQHWWIH-UHFFFAOYSA-N 0 0 325.339 4.048 50 0 EIAARN CCCCCCNc1cc(C(C)C)nc2nc(-c3cccnc3)nn21 ZINC000064791021 214804195 /nfs/dbraw/zinc/80/41/95/214804195.db2.gz FPSRYIPULABRMS-UHFFFAOYSA-N 0 0 338.459 4.302 50 0 EIAARN Fc1ccc(CSc2nnc3ccc(-c4cccs4)nn32)cc1 ZINC000004376849 210182982 /nfs/dbraw/zinc/18/29/82/210182982.db2.gz QGBYCZXIMFWYFC-UHFFFAOYSA-N 0 0 342.424 4.284 50 0 EIAARN CCCn1nnc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000064818558 214806800 /nfs/dbraw/zinc/80/68/00/214806800.db2.gz HDZWINWHVNGVRZ-UHFFFAOYSA-N 0 0 348.328 4.112 50 0 EIAARN Cc1ccc(C)c(-c2csc(-c3nnn(-c4ccccc4)c3N)n2)c1 ZINC000048989297 213975142 /nfs/dbraw/zinc/97/51/42/213975142.db2.gz OJMVNUYRESOXBK-UHFFFAOYSA-N 0 0 347.447 4.257 50 0 EIAARN Fc1ccc(-n2ncc3c2ncnc3Nc2ccc(Cl)cc2)cc1 ZINC000004354537 210178872 /nfs/dbraw/zinc/17/88/72/210178872.db2.gz MQCNAWPUYFBSEB-UHFFFAOYSA-N 0 0 339.761 4.352 50 0 EIAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1ccco1 ZINC000004358702 210178726 /nfs/dbraw/zinc/17/87/26/210178726.db2.gz FQYKOQSEGCHWRK-UHFFFAOYSA-N 0 0 346.839 4.337 50 0 EIAARN CCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1 ZINC000004357750 210178441 /nfs/dbraw/zinc/17/84/41/210178441.db2.gz DCDOJYXANFXQHC-UHFFFAOYSA-N 0 0 339.420 4.030 50 0 EIAARN CCC(=O)Oc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 ZINC000004340119 210176534 /nfs/dbraw/zinc/17/65/34/210176534.db2.gz XTBSDQGNJLUGOZ-UHFFFAOYSA-N 0 0 338.359 4.092 50 0 biogenic EIAARN CC(C)CNC(=O)C1(c2ccc(NC(=O)C(C)C)cc2)CCCCC1 ZINC000065027413 214822769 /nfs/dbraw/zinc/82/27/69/214822769.db2.gz KYCUFXFSJYHZSY-UHFFFAOYSA-N 0 0 344.499 4.255 50 0 EIAARN COC(=O)c1cc(Nc2ccc(F)c(F)c2)c2cc(F)ccc2n1 ZINC000065033601 214824178 /nfs/dbraw/zinc/82/41/78/214824178.db2.gz OWIYRZMFFDUDQB-UHFFFAOYSA-N 0 0 332.281 4.182 50 0 EIAARN COC(=O)c1cc(OCc2c(F)cccc2Cl)c2ccccc2n1 ZINC000065033060 214824240 /nfs/dbraw/zinc/82/42/40/214824240.db2.gz IBNZXDWXKHRYHU-UHFFFAOYSA-N 0 0 345.757 4.393 50 0 EIAARN Cc1ccc(CC(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)s1 ZINC000065162201 214834619 /nfs/dbraw/zinc/83/46/19/214834619.db2.gz AERKQPHIXZCQIY-SFHVURJKSA-N 0 0 327.493 4.389 50 0 EIAARN CCCCOc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1 ZINC000004330378 210173419 /nfs/dbraw/zinc/17/34/19/210173419.db2.gz HBLARCGSFDJQOQ-UHFFFAOYSA-N 0 0 343.408 4.229 50 0 EIAARN Cc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)cc1 ZINC000065133810 214830740 /nfs/dbraw/zinc/83/07/40/214830740.db2.gz XPNZQLRVEBGDBI-UHFFFAOYSA-N 0 0 347.418 4.086 50 0 EIAARN O=C(Nc1nnc(-c2cccs2)o1)c1cc(Cl)ccc1Cl ZINC000004330354 210173006 /nfs/dbraw/zinc/17/30/06/210173006.db2.gz ITMHJNPJEBJISI-UHFFFAOYSA-N 0 0 340.191 4.357 50 0 EIAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)cc1 ZINC000065135466 214831257 /nfs/dbraw/zinc/83/12/57/214831257.db2.gz QHIJXBOIARARGO-LJQANCHMSA-N 0 0 349.478 4.348 50 0 EIAARN Cc1c(C)n(Cc2ccccc2)c2ncn(Cc3ccccc3)c(=N)c12 ZINC000101400380 219125893 /nfs/dbraw/zinc/12/58/93/219125893.db2.gz RAONVERGKMUJMS-UHFFFAOYSA-N 0 0 342.446 4.031 50 0 EIAARN Cc1c(Cl)cccc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000004321076 210170883 /nfs/dbraw/zinc/17/08/83/210170883.db2.gz VFOYXKCBBKJOSX-CQSZACIVSA-N 0 0 332.812 4.286 50 0 EIAARN O=c1nc2c(c(SCc3ccc(Cl)c(Cl)c3)[nH]1)CCCC2 ZINC000004317090 210169366 /nfs/dbraw/zinc/16/93/66/210169366.db2.gz BWAQQQXACJZJTA-UHFFFAOYSA-N 0 0 341.263 4.248 50 0 EIAARN Cc1ccc(NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)c(F)c1 ZINC000048374259 213934682 /nfs/dbraw/zinc/93/46/82/213934682.db2.gz LXZDRGJGWGWOGM-UHFFFAOYSA-N 0 0 349.409 4.369 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)ns1 ZINC000065233078 214849178 /nfs/dbraw/zinc/84/91/78/214849178.db2.gz RAROMIDAZIBCHM-UHFFFAOYSA-N 0 0 330.359 4.018 50 0 EIAARN CC(C)OCCCn1c(-c2ccco2)nc2nc3ccccc3nc21 ZINC000004302302 210163813 /nfs/dbraw/zinc/16/38/13/210163813.db2.gz AUNFUILAOBLWAV-UHFFFAOYSA-N 0 0 336.395 4.055 50 0 EIAARN COc1ccc2ccccc2c1[C@@H]1CC(c2ccccc2)=NC(=S)N1 ZINC000004278878 210159898 /nfs/dbraw/zinc/15/98/98/210159898.db2.gz XUTZLJFTNJFRRR-SFHVURJKSA-N 0 0 346.455 4.408 50 0 EIAARN Cc1oc(C(C)C)nc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000065293448 214867245 /nfs/dbraw/zinc/86/72/45/214867245.db2.gz CRYOSFUYIBZBEW-UHFFFAOYSA-N 0 0 326.318 4.055 50 0 EIAARN Cc1ccc([C@@H]2CC(=O)n3nc(-c4cccc(C)c4)nc3S2)cc1 ZINC000004268625 210156849 /nfs/dbraw/zinc/15/68/49/210156849.db2.gz VCHNLUMSSDGSGA-INIZCTEOSA-N 0 0 335.432 4.439 50 0 EIAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000065331544 214871917 /nfs/dbraw/zinc/87/19/17/214871917.db2.gz LSETWYVKWUXWSA-SFHVURJKSA-N 0 0 347.418 4.054 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O ZINC000004387860 290721627 /nfs/dbraw/zinc/72/16/27/290721627.db2.gz USGKSIJYOHEDEV-YSDSKTICSA-N 0 0 330.468 4.261 50 0 biogenic,in-vitro EIAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000004251572 210152462 /nfs/dbraw/zinc/15/24/62/210152462.db2.gz GNCJHPAMBMBVCO-QGZVFWFLSA-N 0 0 347.443 4.338 50 0 EIAARN O=C(CCc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 ZINC000004224122 210147425 /nfs/dbraw/zinc/14/74/25/210147425.db2.gz BNWJKEZHSIMKBM-UHFFFAOYSA-N 0 0 336.416 4.274 50 0 EIAARN Cc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3[nH]2)CC1=O ZINC000004225224 210147055 /nfs/dbraw/zinc/14/70/55/210147055.db2.gz WVVPBBXVRCAFIY-GFCCVEGCSA-N 0 0 325.799 4.045 50 0 EIAARN COc1ccc(OC)c(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1 ZINC000004223222 210146496 /nfs/dbraw/zinc/14/64/96/210146496.db2.gz DJGXPCBSLXPGNV-CSKARUKUSA-N 0 0 349.386 4.348 50 0 EIAARN C[C@@H]1CN=C(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)S1 ZINC000004207793 210145354 /nfs/dbraw/zinc/14/53/54/210145354.db2.gz DISFNROFKDRZKM-CYBMUJFWSA-N 0 0 343.427 4.351 50 0 EIAARN Cc1ccc2sc(NC(=O)c3ccc(N(C)C)cc3)nc2c1C ZINC000004189974 210142050 /nfs/dbraw/zinc/14/20/50/210142050.db2.gz YEJUNEXNPXLFMJ-UHFFFAOYSA-N 0 0 325.437 4.231 50 0 EIAARN OCc1cnc(SCc2cccc(F)c2)n1CCc1ccccc1 ZINC000004172643 210138560 /nfs/dbraw/zinc/13/85/60/210138560.db2.gz XNLVPKLRDATUBW-UHFFFAOYSA-N 0 0 342.439 4.050 50 0 EIAARN O=C(NCc1ccccc1)Nc1cccc(COCc2ccco2)c1 ZINC000047602499 213858243 /nfs/dbraw/zinc/85/82/43/213858243.db2.gz SKXGZBHMBUUWDL-UHFFFAOYSA-N 0 0 336.391 4.318 50 0 EIAARN Cc1sc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc1-c1ccc(C)cc1 ZINC000101669905 219153467 /nfs/dbraw/zinc/15/34/67/219153467.db2.gz KPZDCXZHTWBGGQ-HUUCEWRRSA-N 0 0 340.448 4.107 50 0 EIAARN O=C(NCC1(c2ccccc2)CCC1)Nc1cccc2cccnc21 ZINC000065490133 214929753 /nfs/dbraw/zinc/92/97/53/214929753.db2.gz OEMXJYIGQZRQNU-UHFFFAOYSA-N 0 0 331.419 4.478 50 0 EIAARN CCCCCCc1c(C)c2ccc(OCC(=O)OCC)cc2oc1=O ZINC000004151889 210134270 /nfs/dbraw/zinc/13/42/70/210134270.db2.gz HWDDLTIBGJHEIY-UHFFFAOYSA-N 0 0 346.423 4.166 50 0 EIAARN O=C(Nc1ccc2ncccc2c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000065493587 214931908 /nfs/dbraw/zinc/93/19/08/214931908.db2.gz SNIYTNUQEAIGCI-IBGZPJMESA-N 0 0 348.402 4.045 50 0 EIAARN O=[S@@](CCSc1nc2ccccc2s1)Cc1ccccc1 ZINC000004144123 210131839 /nfs/dbraw/zinc/13/18/39/210131839.db2.gz ROKMRFAJWFSTNB-OAQYLSRUSA-N 0 0 333.503 4.337 50 0 EIAARN O=C(Cc1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000004137029 210129767 /nfs/dbraw/zinc/12/97/67/210129767.db2.gz HIEYUNYTAOGYOS-UHFFFAOYSA-N 0 0 333.416 4.244 50 0 EIAARN Cc1cc2cc(CNC(=O)c3ccccc3Br)ccc2[nH]1 ZINC000004138046 210129894 /nfs/dbraw/zinc/12/98/94/210129894.db2.gz QMLUUQYPTVTWSU-UHFFFAOYSA-N 0 0 343.224 4.169 50 0 EIAARN CCc1cc(-c2n[nH]cc2Oc2ccc(F)cc2)c(O)cc1OC ZINC000004135806 210129611 /nfs/dbraw/zinc/12/96/11/210129611.db2.gz BSVHZJOAJAVAFC-UHFFFAOYSA-N 0 0 328.343 4.285 50 0 EIAARN CCOC(=O)N1CCN=C1SCc1ccc(Cl)c(Cl)c1 ZINC000004120491 210126359 /nfs/dbraw/zinc/12/63/59/210126359.db2.gz RCMWVWVZLFUSTL-UHFFFAOYSA-N 0 0 333.240 4.055 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCN=C1SCc1ccccc1 ZINC000004119810 210125336 /nfs/dbraw/zinc/12/53/36/210125336.db2.gz PXOYNVADENGEEZ-UHFFFAOYSA-N 0 0 330.840 4.085 50 0 EIAARN Cc1ccc([C@]2(CC(=O)NCC(C)C)CCO[C@H](C(C)C)C2)cc1 ZINC000004087925 210116013 /nfs/dbraw/zinc/11/60/13/210116013.db2.gz QIAVYIRNOGKASV-PZJWPPBQSA-N 0 0 331.500 4.230 50 0 biogenic EIAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000004078999 210115490 /nfs/dbraw/zinc/11/54/90/210115490.db2.gz OHJJUBREJIHGQF-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)C1CC1 ZINC000004071743 210113040 /nfs/dbraw/zinc/11/30/40/210113040.db2.gz IPBVZHXUBBWUGM-UHFFFAOYSA-N 0 0 344.208 4.029 50 0 EIAARN CC(C)Sc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 ZINC000004079439 210114632 /nfs/dbraw/zinc/11/46/32/210114632.db2.gz QMAPSKYKOQAUED-UHFFFAOYSA-N 0 0 347.387 4.310 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1 ZINC000004077187 210114709 /nfs/dbraw/zinc/11/47/09/210114709.db2.gz QFIIHGFMSBSLFK-UHFFFAOYSA-N 0 0 349.459 4.488 50 0 EIAARN COc1ccc2oc(C)c(C(=O)Nc3cccc(-n4ccnc4)c3)c2c1 ZINC000046105891 213783034 /nfs/dbraw/zinc/78/30/34/213783034.db2.gz NCJKLVCKPICMRA-UHFFFAOYSA-N 0 0 347.374 4.188 50 0 EIAARN COc1ccc(C2=CCN(C(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000065800035 214996097 /nfs/dbraw/zinc/99/60/97/214996097.db2.gz FYJZYMBWLDHOPW-UHFFFAOYSA-N 0 0 343.814 4.065 50 0 EIAARN Cc1c(C(=O)C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c2ccccc2n1C ZINC000004062508 210110262 /nfs/dbraw/zinc/11/02/62/210110262.db2.gz RVCJYDXUZIEUKO-UKRRQHHQSA-N 0 0 340.467 4.000 50 0 EIAARN CC(C)CCCCCCOc1ccc([C@@H]2CC(=O)N(C)C2=O)cc1 ZINC000004023893 210101702 /nfs/dbraw/zinc/10/17/02/210101702.db2.gz SLOINWSHWICARJ-SFHVURJKSA-N 0 0 331.456 4.144 50 0 biogenic EIAARN Cc1[nH]nc2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000003983816 210097970 /nfs/dbraw/zinc/09/79/70/210097970.db2.gz HVPVPQFZGNASDB-QPQISGKWSA-N 0 0 326.484 4.056 50 0 biogenic EIAARN COc1cc(OC)cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004006369 210098805 /nfs/dbraw/zinc/09/88/05/210098805.db2.gz IDKBLYSMKPRUNH-JHMRYYBSSA-N 0 0 343.467 4.039 50 0 EIAARN CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1c1cccnc1 ZINC000003959026 210095263 /nfs/dbraw/zinc/09/52/63/210095263.db2.gz BFLDRLIKACFCMF-FQEVSTJZSA-N 0 0 329.403 4.415 50 0 EIAARN CCCC[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000003906186 210090380 /nfs/dbraw/zinc/09/03/80/210090380.db2.gz YOMRIEHCCXJHIA-KRWDZBQOSA-N 0 0 325.387 4.363 50 0 EIAARN OC(c1nccn1Cc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003876583 210081938 /nfs/dbraw/zinc/08/19/38/210081938.db2.gz LIYHGMAFIBBBRK-UHFFFAOYSA-N 0 0 340.426 4.216 50 0 EIAARN Cc1csc(C2=C(N)N([C@@H](C)CCc3ccccc3)CC2=O)n1 ZINC000102243242 219192016 /nfs/dbraw/zinc/19/20/16/219192016.db2.gz JPFDXMBKWWRQMZ-ZDUSSCGKSA-N 0 0 327.453 4.035 50 0 EIAARN CC(C)c1ccc(C[S@@](=O)Cc2nc(-c3cccs3)no2)cc1 ZINC000066296683 215032265 /nfs/dbraw/zinc/03/22/65/215032265.db2.gz ARVJBLBWBCGNBW-QHCPKHFHSA-N 0 0 346.477 4.370 50 0 EIAARN CCOc1cc(C(=O)Nc2ccccc2F)cc(OCC)c1OCC ZINC000003608815 210064692 /nfs/dbraw/zinc/06/46/92/210064692.db2.gz QAWDVJMGCVAVEZ-UHFFFAOYSA-N 0 0 347.386 4.274 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1 ZINC000003607534 210064786 /nfs/dbraw/zinc/06/47/86/210064786.db2.gz PFYTZNJCPQWPHR-LBPRGKRZSA-N 0 0 334.213 4.164 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(Oc2ccccc2)c1 ZINC000003598059 210061694 /nfs/dbraw/zinc/06/16/94/210061694.db2.gz FBZFUIKPJBQZRF-UHFFFAOYSA-N 0 0 347.370 4.138 50 0 EIAARN COC(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1F ZINC000066489242 215047325 /nfs/dbraw/zinc/04/73/25/215047325.db2.gz LSKMRHMTIDISST-UHFFFAOYSA-N 0 0 340.713 4.049 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1OC ZINC000003565469 210056075 /nfs/dbraw/zinc/05/60/75/210056075.db2.gz NYEGWDHJYKAFON-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN COc1ccc(CCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000003551918 210052949 /nfs/dbraw/zinc/05/29/49/210052949.db2.gz FWQDEBFXWSLDSY-UHFFFAOYSA-N 0 0 333.815 4.237 50 0 EIAARN CC[C@@H](C)n1nccc1NC(=O)c1sc2nc(C)nc(C)c2c1C ZINC000066661659 215064474 /nfs/dbraw/zinc/06/44/74/215064474.db2.gz FZHVMUJXFJPJBH-SECBINFHSA-N 0 0 343.456 4.036 50 0 EIAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3)n2)c1 ZINC000003559309 210055236 /nfs/dbraw/zinc/05/52/36/210055236.db2.gz MQUWXORDCVGCPL-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN CCCCCc1nnc(NC(=O)c2cccc(OC(F)F)c2)s1 ZINC000003557747 210054511 /nfs/dbraw/zinc/05/45/11/210054511.db2.gz QTSKDUCZUYJWKY-UHFFFAOYSA-N 0 0 341.383 4.125 50 0 EIAARN COc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)c(OC)c1 ZINC000003458565 210045809 /nfs/dbraw/zinc/04/58/09/210045809.db2.gz YVOFZNAOKZEAES-UHFFFAOYSA-N 0 0 346.452 4.346 50 0 EIAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000044910363 213670419 /nfs/dbraw/zinc/67/04/19/213670419.db2.gz GXOYKXUQJNEAOQ-AWEZNQCLSA-N 0 0 337.448 4.368 50 0 EIAARN CSc1nc2n(n1)[C@H](c1cccs1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102610997 219213712 /nfs/dbraw/zinc/21/37/12/219213712.db2.gz IRILMNHERAXBJL-CYBMUJFWSA-N 0 0 346.481 4.369 50 0 EIAARN Cc1ccccc1CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000003453945 210043842 /nfs/dbraw/zinc/04/38/42/210043842.db2.gz WAKMZFZMYNLKMN-QFIPXVFZSA-N 0 0 344.414 4.115 50 0 EIAARN COc1cc(C(=O)Nc2c(C)cccc2C(C)C)cc(OC)c1OC ZINC000003451061 210043289 /nfs/dbraw/zinc/04/32/89/210043289.db2.gz WVBRTGHXOYEXHS-UHFFFAOYSA-N 0 0 343.423 4.397 50 0 EIAARN O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc2c(s1)CCC2 ZINC000003451457 210042817 /nfs/dbraw/zinc/04/28/17/210042817.db2.gz QOSFPYIHOLOHEA-UHFFFAOYSA-N 0 0 339.382 4.228 50 0 EIAARN CC(C)[C@H](NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[nH]1 ZINC000003433489 210038003 /nfs/dbraw/zinc/03/80/03/210038003.db2.gz KEOUZLIQFOLQIG-SFHVURJKSA-N 0 0 333.391 4.436 50 0 EIAARN Cc1[nH]nc2c1[C@@H](c1ccc(OCC(C)C)cc1)SCC(=O)N2 ZINC000044890542 213659133 /nfs/dbraw/zinc/65/91/33/213659133.db2.gz GRBXJOTYVBAMCZ-MRXNPFEDSA-N 0 0 331.441 4.177 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000003443730 210042091 /nfs/dbraw/zinc/04/20/91/210042091.db2.gz FCYFVAXLPPJBDU-CYBMUJFWSA-N 0 0 331.799 4.257 50 0 EIAARN COc1cccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 ZINC000003446878 210041882 /nfs/dbraw/zinc/04/18/82/210041882.db2.gz KMNPWYQHAWRFBO-UHFFFAOYSA-N 0 0 331.586 4.303 50 0 EIAARN COc1cc(C(=O)Nc2ccc(Cl)cc2F)cc(Cl)c1OC ZINC000003444275 210041549 /nfs/dbraw/zinc/04/15/49/210041549.db2.gz BOXVIBHRWOIOCQ-UHFFFAOYSA-N 0 0 344.169 4.402 50 0 EIAARN CCOc1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1 ZINC000003405389 210029806 /nfs/dbraw/zinc/02/98/06/210029806.db2.gz OOUYBMUNPIVPIQ-UHFFFAOYSA-N 0 0 327.355 4.209 50 0 EIAARN CN(Cc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000003414599 210032512 /nfs/dbraw/zinc/03/25/12/210032512.db2.gz KDTJDZNPFZMFSI-UHFFFAOYSA-N 0 0 328.462 4.073 50 0 EIAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CC1 ZINC000102728889 219225619 /nfs/dbraw/zinc/22/56/19/219225619.db2.gz XTCILICRSKQBSG-UHFFFAOYSA-N 0 0 331.828 4.188 50 0 EIAARN CCC(=O)c1ccccc1OCCOc1ccccc1C(=O)CC ZINC000003388067 210024716 /nfs/dbraw/zinc/02/47/16/210024716.db2.gz YOIKEATYHKLWNE-UHFFFAOYSA-N 0 0 326.392 4.330 50 0 EIAARN COc1ccc(C=CC(=O)OCC(=O)c2cc(C)c(C)cc2C)cc1 ZINC000003391229 210025209 /nfs/dbraw/zinc/02/52/09/210025209.db2.gz NVLUCTHHIVYPIM-JXMROGBWSA-N 0 0 338.403 4.060 50 0 EIAARN Cc1csc(C2=C(N)N([C@@H]3CCCc4ccccc43)CC2=O)n1 ZINC000102733590 219226422 /nfs/dbraw/zinc/22/64/22/219226422.db2.gz QZWISXZAABWFPZ-CQSZACIVSA-N 0 0 325.437 4.091 50 0 EIAARN COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000003379207 210022930 /nfs/dbraw/zinc/02/29/30/210022930.db2.gz CAGWNCLGKJMXKZ-UHFFFAOYSA-N 0 0 347.414 4.223 50 0 EIAARN CC(C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000102720788 219225749 /nfs/dbraw/zinc/22/57/49/219225749.db2.gz NMZCVMTZOUESFP-UHFFFAOYSA-N 0 0 333.844 4.434 50 0 EIAARN Fc1ccccc1CSc1ncnc2c1cnn2-c1ccccc1 ZINC000003378383 210022314 /nfs/dbraw/zinc/02/23/14/210022314.db2.gz BWVZSEZNCKUNHH-UHFFFAOYSA-N 0 0 336.395 4.247 50 0 EIAARN CC[C@H](C(=O)OCC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000003377929 210022202 /nfs/dbraw/zinc/02/22/02/210022202.db2.gz IXJPNJOATYOJII-KRWDZBQOSA-N 0 0 339.435 4.486 50 0 EIAARN O=C1CCCC2=Nc3nonc3N[C@H](c3cc(Cl)ccc3F)C12 ZINC000102747421 219227278 /nfs/dbraw/zinc/22/72/78/219227278.db2.gz IDZPWXQCOOPRBD-CYBMUJFWSA-N 0 0 334.738 4.097 50 0 EIAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)c1ccccc1 ZINC000003366123 210018572 /nfs/dbraw/zinc/01/85/72/210018572.db2.gz MDDFBYPIHKZALV-GFCCVEGCSA-N 0 0 328.462 4.440 50 0 EIAARN O=C(CSc1ccccc1)NCc1cccc(C(F)(F)F)c1 ZINC000003364960 210019109 /nfs/dbraw/zinc/01/91/09/210019109.db2.gz DISPEZOBNDLUIJ-UHFFFAOYSA-N 0 0 325.355 4.114 50 0 EIAARN COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc(Cl)c1OC ZINC000003359822 210017678 /nfs/dbraw/zinc/01/76/78/210017678.db2.gz VYHJRRZSJXGTDB-UHFFFAOYSA-N 0 0 344.169 4.402 50 0 EIAARN Cc1cc(C)cc(C2=N/C(=C/c3ccc(OC(F)F)cc3)C(=O)O2)c1 ZINC000003362953 210018442 /nfs/dbraw/zinc/01/84/42/210018442.db2.gz HNEJFNCCJTVKFY-MHWRWJLKSA-N 0 0 343.329 4.249 50 0 EIAARN CC(C)(NCc1csc(-c2ncccn2)n1)c1ccc(Cl)cc1 ZINC000067011201 215104503 /nfs/dbraw/zinc/10/45/03/215104503.db2.gz BXSCQQONJDZFLJ-UHFFFAOYSA-N 0 0 344.871 4.278 50 0 EIAARN Fc1ccc(CNc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000003338449 210012243 /nfs/dbraw/zinc/01/22/43/210012243.db2.gz JJPUUUNXCNSNJX-UHFFFAOYSA-N 0 0 330.366 4.443 50 0 EIAARN O=C(COc1ccc(Cl)cc1)NCCCSc1ccccc1 ZINC000003336910 210011604 /nfs/dbraw/zinc/01/16/04/210011604.db2.gz YEIKWAYDTFWVOX-UHFFFAOYSA-N 0 0 335.856 4.017 50 0 EIAARN O=C(NC1CC1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000003335502 210011167 /nfs/dbraw/zinc/01/11/67/210011167.db2.gz MQQUUTFIWMWYHD-UHFFFAOYSA-N 0 0 336.218 4.465 50 0 EIAARN COc1cc(NC(=O)Cc2ccccc2Cl)c(OC)cc1Cl ZINC000003333477 210010393 /nfs/dbraw/zinc/01/03/93/210010393.db2.gz MKXRIILFHFBYPE-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2N(C)C)cc1 ZINC000044082019 213608042 /nfs/dbraw/zinc/60/80/42/213608042.db2.gz DDDRHNJTPZOKSU-GOSISDBHSA-N 0 0 339.439 4.130 50 0 EIAARN COc1ccc(Br)c(C(=O)Nc2cc(F)ccc2C)c1 ZINC000003330510 210009817 /nfs/dbraw/zinc/00/98/17/210009817.db2.gz CTYYUHSDWHQAAO-UHFFFAOYSA-N 0 0 338.176 4.158 50 0 EIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2cc(Cl)ccc2o1 ZINC000003300082 210001519 /nfs/dbraw/zinc/00/15/19/210001519.db2.gz UBANCWAMPYEPAR-GHMZBOCLSA-N 0 0 338.860 4.363 50 0 EIAARN Cc1ccsc1C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000003317361 210006006 /nfs/dbraw/zinc/00/60/06/210006006.db2.gz UAFGTLIZNMXALQ-UHFFFAOYSA-N 0 0 345.464 4.041 50 0 EIAARN c1coc(-c2nnc(SC[C@@H]3CCCCO3)n2-c2ccccc2)c1 ZINC000003318720 210005716 /nfs/dbraw/zinc/00/57/16/210005716.db2.gz FOHGYONWAFKEKV-HNNXBMFYSA-N 0 0 341.436 4.189 50 0 EIAARN CC(=O)c1cc(Br)ccc1OC(=O)c1cc(C)cc(C)c1 ZINC000003288565 209998340 /nfs/dbraw/zinc/99/83/40/209998340.db2.gz XWWUZDFBGZQBTF-UHFFFAOYSA-N 0 0 347.208 4.488 50 0 EIAARN COC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(C)ccc3o2)c1 ZINC000067339704 215134442 /nfs/dbraw/zinc/13/44/42/215134442.db2.gz RZLNMGCASHESGS-VQHVLOKHSA-N 0 0 335.359 4.180 50 0 EIAARN COc1ccccc1CNC(=O)/C=C/c1cc2cc(Cl)ccc2o1 ZINC000067339266 215135199 /nfs/dbraw/zinc/13/51/99/215135199.db2.gz TZFXAFLTWXLYBR-VQHVLOKHSA-N 0 0 341.794 4.424 50 0 EIAARN c1cn(CCc2ccccn2)c(-c2nc(-c3ccccc3)cs2)n1 ZINC000067447206 215147481 /nfs/dbraw/zinc/14/74/81/215147481.db2.gz MCGZNQFQPRLBBH-UHFFFAOYSA-N 0 0 332.432 4.311 50 0 EIAARN CC[C@H](C)CC(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067473212 215150865 /nfs/dbraw/zinc/15/08/65/215150865.db2.gz GQKHGMDQIHYDTD-LBPRGKRZSA-N 0 0 334.366 4.205 50 0 EIAARN CCc1nccn1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C ZINC000067472763 215150927 /nfs/dbraw/zinc/15/09/27/215150927.db2.gz YINHULANUWMHDK-UHFFFAOYSA-N 0 0 325.412 4.083 50 0 EIAARN CCCCC(=O)Nc1cc(NC(=O)c2[nH]c(C)cc2C)ccc1OC ZINC000067561541 215161767 /nfs/dbraw/zinc/16/17/67/215161767.db2.gz AFQODGBNWULYFV-UHFFFAOYSA-N 0 0 343.427 4.021 50 0 EIAARN O=S(=O)(Oc1ccc(Nc2ccccc2)cc1)c1ccccc1 ZINC000003129772 209968472 /nfs/dbraw/zinc/96/84/72/209968472.db2.gz QVQDAVNYWLYLOK-UHFFFAOYSA-N 0 0 325.389 4.198 50 0 EIAARN CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000003127144 209968003 /nfs/dbraw/zinc/96/80/03/209968003.db2.gz IKCUOQFDCQUFTQ-OAHLLOKOSA-N 0 0 327.424 4.365 50 0 biogenic EIAARN COc1ccc(-c2ccnc3c(-c4ccccc4)cnn32)cc1OC ZINC000067630651 215170414 /nfs/dbraw/zinc/17/04/14/215170414.db2.gz BLBIQGOAZNMCMU-UHFFFAOYSA-N 0 0 331.375 4.081 50 0 EIAARN CCc1c(C)scc1C(=O)N1Cc2cnc(-c3ccccc3)nc2C1 ZINC000067690361 215185465 /nfs/dbraw/zinc/18/54/65/215185465.db2.gz JJDBQCQMDYAJAI-UHFFFAOYSA-N 0 0 349.459 4.232 50 0 EIAARN CCCCn1c(C(=O)NCC(C)C)cc2cc(NC(=O)CC)ccc21 ZINC000103187026 219267626 /nfs/dbraw/zinc/26/76/26/219267626.db2.gz VSDTWLUCNIHHKD-UHFFFAOYSA-N 0 0 343.471 4.176 50 0 EIAARN CC(C)(C)n1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000067726174 215196611 /nfs/dbraw/zinc/19/66/11/215196611.db2.gz CIUMPZJEDQZIFA-KRWDZBQOSA-N 0 0 346.858 4.110 50 0 EIAARN COc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Cl ZINC000002978848 209949861 /nfs/dbraw/zinc/94/98/61/209949861.db2.gz VFNQJSXXDHWYRD-UHFFFAOYSA-N 0 0 338.190 4.457 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 ZINC000002987987 209950749 /nfs/dbraw/zinc/95/07/49/209950749.db2.gz QSXASPMUQWYKBR-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN COc1cc(Oc2ccccc2CO)cc(Cl)c1CN1CCCC1 ZINC000067756487 215205000 /nfs/dbraw/zinc/20/50/00/215205000.db2.gz VXJVFQMVTJFHFB-UHFFFAOYSA-N 0 0 347.842 4.229 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)C2=O)c(C)c1 ZINC000002883268 209936674 /nfs/dbraw/zinc/93/66/74/209936674.db2.gz LAMRCTJNQMMBRN-OAHLLOKOSA-N 0 0 344.414 4.444 50 0 EIAARN COc1ccc(-c2nccn2[C@@H](C)c2ccc(O)cc2)c(OC)c1C ZINC000067820370 215222209 /nfs/dbraw/zinc/22/22/09/215222209.db2.gz PFOUUFSGGWCQGX-AWEZNQCLSA-N 0 0 338.407 4.191 50 0 EIAARN Cc1ccc(S(=O)(=O)CCCCCCCCCCCO)cc1 ZINC000002867292 209930845 /nfs/dbraw/zinc/93/08/45/209930845.db2.gz UTMQQROFQLQDMQ-UHFFFAOYSA-N 0 0 326.502 4.272 50 0 EIAARN Cc1ccsc1-c1nc(CN2CCC(C(C)(C)O)CC2)c(C)o1 ZINC000067880489 215239824 /nfs/dbraw/zinc/23/98/24/215239824.db2.gz HXEPEJQPDHDDBW-UHFFFAOYSA-N 0 0 334.485 4.003 50 0 EIAARN CCc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)o1 ZINC000067886622 215242014 /nfs/dbraw/zinc/24/20/14/215242014.db2.gz VQXSREPJBWVPGC-GFCCVEGCSA-N 0 0 345.393 4.465 50 0 EIAARN CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2c[nH]nc2C2CCCCC2)C1 ZINC000067886329 215242683 /nfs/dbraw/zinc/24/26/83/215242683.db2.gz VPXUPSSYONFEKJ-AOIWGVFYSA-N 0 0 347.503 4.228 50 0 EIAARN COc1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 ZINC000002790508 209913747 /nfs/dbraw/zinc/91/37/47/209913747.db2.gz BCXLJCKVTCSEAX-UHFFFAOYSA-N 0 0 333.815 4.455 50 0 EIAARN COc1ccc([C@H](C)C(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC000068214016 215291448 /nfs/dbraw/zinc/29/14/48/215291448.db2.gz ZGPTTXXREIXJDY-HNNXBMFYSA-N 0 0 341.476 4.240 50 0 EIAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(Br)c1 ZINC000002744216 209900688 /nfs/dbraw/zinc/90/06/88/209900688.db2.gz BLPLELQJAAEKGK-KGLIPLIRSA-N 0 0 330.225 4.500 50 0 EIAARN O=C(NCCSc1c[nH]c2ccccc12)c1ccccc1Cl ZINC000002720992 209896291 /nfs/dbraw/zinc/89/62/91/209896291.db2.gz RZKATWUMPJWEFX-UHFFFAOYSA-N 0 0 330.840 4.343 50 0 EIAARN O=C(COc1ccc(Nc2ccccc2)cc1)NCc1cccs1 ZINC000002643213 209883308 /nfs/dbraw/zinc/88/33/08/209883308.db2.gz AWIQDKZJBKRQMD-UHFFFAOYSA-N 0 0 338.432 4.187 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl ZINC000002631121 209878846 /nfs/dbraw/zinc/87/88/46/209878846.db2.gz PMKOIFYHVJUWJW-UHFFFAOYSA-N 0 0 333.218 4.334 50 0 EIAARN CCCCNC(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1 ZINC000002631251 209877959 /nfs/dbraw/zinc/87/79/59/209877959.db2.gz DJLBCKBRHQXUQV-UHFFFAOYSA-N 0 0 325.412 4.169 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=O)Nc2noc3c2COc2ccccc2-3)[C@H]1C ZINC000103728421 219321841 /nfs/dbraw/zinc/32/18/41/219321841.db2.gz QMCLLJIYDYGMFT-XUJVJEKNSA-N 0 0 341.411 4.180 50 0 EIAARN O=C(NCCCCCCO)OCC1c2ccccc2-c2ccccc21 ZINC000002565312 209868154 /nfs/dbraw/zinc/86/81/54/209868154.db2.gz VGXOJZUTHIGHPT-UHFFFAOYSA-N 0 0 339.435 4.078 50 0 EIAARN COCCc1ccc(Oc2ccc(NC(=O)c3cc[nH]c3)cc2)cc1 ZINC000068447612 215308550 /nfs/dbraw/zinc/30/85/50/215308550.db2.gz QKKCVYDZVPYXTI-UHFFFAOYSA-N 0 0 336.391 4.248 50 0 EIAARN CCCSc1nc2sc3c(c2c2nncn21)C[C@](C)(CC)OC3 ZINC000002382000 209845257 /nfs/dbraw/zinc/84/52/57/209845257.db2.gz RPIAIAQGDHOATB-INIZCTEOSA-N 0 0 348.497 4.083 50 0 EIAARN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000068733312 215330203 /nfs/dbraw/zinc/33/02/03/215330203.db2.gz OFXZDEDSIPHVPG-KSSFIOAISA-N 0 0 343.448 4.082 50 0 EIAARN CCCCSc1nc(=O)c2c3c(sc2[nH]1)CO[C@](C)(CC)C3 ZINC000002197325 209829091 /nfs/dbraw/zinc/82/90/91/209829091.db2.gz JNZXIWDUMSRPPN-MRXNPFEDSA-N 0 0 338.498 4.118 50 0 EIAARN CCCCNc1ncc2c(n1)C[C@@H](c1ccccc1Cl)CC2=O ZINC000002211945 209829971 /nfs/dbraw/zinc/82/99/71/209829971.db2.gz NGWPVZCTNODIEW-GFCCVEGCSA-N 0 0 329.831 4.255 50 0 EIAARN CCOC(=O)N[C@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002141175 209823942 /nfs/dbraw/zinc/82/39/42/209823942.db2.gz DJBVVKOPJRBXLL-SECBINFHSA-N 0 0 347.025 4.161 50 0 EIAARN O=C(Nc1ccc2c(c1)NCCC2)c1sccc1Br ZINC000069053094 215355868 /nfs/dbraw/zinc/35/58/68/215355868.db2.gz PXHZOGMEKZWTOS-UHFFFAOYSA-N 0 0 337.242 4.121 50 0 EIAARN O=C(Nc1nncs1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000040554461 213349169 /nfs/dbraw/zinc/34/91/69/213349169.db2.gz HGBDUSQAIKRSFR-LLVKDONJSA-N 0 0 343.239 4.214 50 0 EIAARN Cc1nc(NC(=O)COc2ccc(-c3ccccc3)cc2)sc1C ZINC000001916412 209805489 /nfs/dbraw/zinc/80/54/89/209805489.db2.gz FRMFLMUWANSJRL-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000040548741 213345554 /nfs/dbraw/zinc/34/55/54/213345554.db2.gz NMVHJYARHZSZJK-OAHLLOKOSA-N 0 0 343.254 4.112 50 0 EIAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC=C(c2ccccc2)CC1 ZINC000040478398 213313727 /nfs/dbraw/zinc/31/37/27/213313727.db2.gz JFNAVMUUKPERID-UHFFFAOYSA-N 0 0 347.393 4.145 50 0 EIAARN O=C(NCc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478415 213314692 /nfs/dbraw/zinc/31/46/92/213314692.db2.gz GTKCZHJTWPSSNC-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN O=C(CCCc1cccs1)N1CCC(OCc2ccccc2)CC1 ZINC000040477255 213312434 /nfs/dbraw/zinc/31/24/34/213312434.db2.gz JCCQZUOOTWUCAX-UHFFFAOYSA-N 0 0 343.492 4.279 50 0 EIAARN Cc1nsc2nc(-c3sc4ccccc4c3Cl)oc(=O)c12 ZINC000040464792 213309584 /nfs/dbraw/zinc/30/95/84/213309584.db2.gz VZAKRILJOZIVHP-UHFFFAOYSA-N 0 0 334.809 4.488 50 0 EIAARN CCCCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000001779287 209792760 /nfs/dbraw/zinc/79/27/60/209792760.db2.gz AKRNKDOFEUDAKA-IZZDOVSWSA-N 0 0 339.391 4.246 50 0 EIAARN CC(=O)c1cccc(NC(=O)Nc2ccc(Oc3cnccn3)cc2)c1 ZINC000069485704 215437082 /nfs/dbraw/zinc/43/70/82/215437082.db2.gz GQHBSWQCZYRYPF-UHFFFAOYSA-N 0 0 348.362 4.116 50 0 EIAARN COc1cccc(NC(=O)c2csc(-c3ccccc3OC)n2)c1 ZINC000040425131 213302970 /nfs/dbraw/zinc/30/29/70/213302970.db2.gz GUFHFRCKFPGEBJ-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN O=C(c1nccc2ccccc21)N(Cc1ccco1)CC(F)(F)F ZINC000069491112 215443448 /nfs/dbraw/zinc/44/34/48/215443448.db2.gz HNINCMXRRBHFHW-UHFFFAOYSA-N 0 0 334.297 4.033 50 0 EIAARN CC(=O)c1cn(CCC(=O)Nc2ccc3[nH]ccc3c2)c2ccccc12 ZINC000040310264 213291060 /nfs/dbraw/zinc/29/10/60/213291060.db2.gz HAEAPJGFDJLHAM-UHFFFAOYSA-N 0 0 345.402 4.354 50 0 biogenic EIAARN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]1c1ccccn1 ZINC000069516334 215453879 /nfs/dbraw/zinc/45/38/79/215453879.db2.gz JNCZHBRKJRKJJB-RDJZCZTQSA-N 0 0 348.368 4.481 50 0 EIAARN CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2c1ncn2-c1cccnc1 ZINC000040266167 213285154 /nfs/dbraw/zinc/28/51/54/213285154.db2.gz CIYGAFYGIUHEAR-INIZCTEOSA-N 0 0 348.406 4.178 50 0 EIAARN CSc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc1 ZINC000040266135 213284906 /nfs/dbraw/zinc/28/49/06/213284906.db2.gz NJGYUTUSYLKRFD-HNNXBMFYSA-N 0 0 336.420 4.113 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)N(C)Cc2ccco2)cc1OC ZINC000040159922 213277309 /nfs/dbraw/zinc/27/73/09/213277309.db2.gz WZVYIEAKCZLJSF-UHFFFAOYSA-N 0 0 337.803 4.003 50 0 EIAARN O=C(CCSc1ccc(Cl)cc1)NCCc1cccs1 ZINC000040160169 213276502 /nfs/dbraw/zinc/27/65/02/213276502.db2.gz JZTFMZJBJHAOFN-UHFFFAOYSA-N 0 0 325.886 4.243 50 0 EIAARN Cc1nc(C)c([C@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000040157035 213276093 /nfs/dbraw/zinc/27/60/93/213276093.db2.gz ZRRAZQIHTZJPAA-VIFPVBQESA-N 0 0 343.279 4.487 50 0 EIAARN CC(C)N(Cc1cnn(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000040157041 213276160 /nfs/dbraw/zinc/27/61/60/213276160.db2.gz TYJAXDWEGIJQDF-UHFFFAOYSA-N 0 0 341.499 4.087 50 0 EIAARN CC(C)C(=O)Nc1ccc(-c2csc(NCC(F)(F)F)n2)cc1 ZINC000040152951 213274124 /nfs/dbraw/zinc/27/41/24/213274124.db2.gz QKSHLVUDMZNCCX-UHFFFAOYSA-N 0 0 343.374 4.379 50 0 EIAARN COc1ccc2cc(CNC(=O)N([C@@H](C)C3CC3)C3CC3)ccc2c1 ZINC000040150050 213273383 /nfs/dbraw/zinc/27/33/83/213273383.db2.gz WSFLLPNTAYDIQT-AWEZNQCLSA-N 0 0 338.451 4.321 50 0 EIAARN COc1ncccc1NC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000040151170 213273412 /nfs/dbraw/zinc/27/34/12/213273412.db2.gz OKKPQPKEOJRARN-OAHLLOKOSA-N 0 0 331.391 4.138 50 0 EIAARN Cc1c(C(=O)N[C@H]2CCSc3ccccc32)oc2c1C(=O)CCC2 ZINC000040131090 213270212 /nfs/dbraw/zinc/27/02/12/213270212.db2.gz PRACBPGFAWORQZ-ZDUSSCGKSA-N 0 0 341.432 4.074 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H]1c1ccsc1 ZINC000040138988 213271545 /nfs/dbraw/zinc/27/15/45/213271545.db2.gz XGEDHRDVIQFTIB-HOTGVXAUSA-N 0 0 328.437 4.118 50 0 EIAARN C[C@@H](Cc1ccc(Br)cc1)NC(=O)CCc1ccccc1 ZINC000040108470 213266758 /nfs/dbraw/zinc/26/67/58/213266758.db2.gz ZPTBUTXGMFGYOI-AWEZNQCLSA-N 0 0 346.268 4.129 50 0 EIAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1ccccc1F ZINC000040106911 213266250 /nfs/dbraw/zinc/26/62/50/213266250.db2.gz DIMICPACYASRAH-PKNBQFBNSA-N 0 0 338.382 4.135 50 0 EIAARN NC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2F)c1 ZINC000040106531 213266038 /nfs/dbraw/zinc/26/60/38/213266038.db2.gz KUSTZMAGPVGTCT-UHFFFAOYSA-N 0 0 349.365 4.236 50 0 EIAARN CCc1nc(NC(=O)c2cc(F)ccc2Br)sc1C ZINC000040118920 213268879 /nfs/dbraw/zinc/26/88/79/213268879.db2.gz RWLFOYSYLYWIMY-UHFFFAOYSA-N 0 0 343.221 4.168 50 0 EIAARN C[C@@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1OC(F)F ZINC000040115188 213268568 /nfs/dbraw/zinc/26/85/68/213268568.db2.gz ZVSJIADPUBYQIX-LLVKDONJSA-N 0 0 341.304 4.257 50 0 EIAARN CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1N1CCCC1 ZINC000040103773 213264897 /nfs/dbraw/zinc/26/48/97/213264897.db2.gz USUSOVUGZGTZAO-UHFFFAOYSA-N 0 0 341.430 4.480 50 0 EIAARN Cc1cc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccc(C)cc2)n1 ZINC000040104900 213264409 /nfs/dbraw/zinc/26/44/09/213264409.db2.gz POAQDAMCQMYCGI-UHFFFAOYSA-N 0 0 348.450 4.461 50 0 EIAARN CCOc1ncccc1CNC(=O)Nc1ccc(Cl)cc1Cl ZINC000040096585 213263812 /nfs/dbraw/zinc/26/38/12/213263812.db2.gz WUPQGSITBHSKAG-UHFFFAOYSA-N 0 0 340.210 4.109 50 0 EIAARN COc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc(OC)c1 ZINC000040097728 213263550 /nfs/dbraw/zinc/26/35/50/213263550.db2.gz CVHPHLDRQNUAAI-LLVKDONJSA-N 0 0 334.803 4.240 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1-c1nccs1 ZINC000040090990 213263048 /nfs/dbraw/zinc/26/30/48/213263048.db2.gz BEOACCXADXMMEI-UHFFFAOYSA-N 0 0 333.363 4.081 50 0 EIAARN CC[C@@H](NC(=O)c1cc(F)ccc1F)c1ccccc1OC(F)F ZINC000040089087 213261418 /nfs/dbraw/zinc/26/14/18/213261418.db2.gz VDEOPPVJCIWFDK-CQSZACIVSA-N 0 0 341.304 4.447 50 0 EIAARN c1csc(CCNc2nn3cc(-c4ccccc4)nc3s2)c1 ZINC000040058947 213255568 /nfs/dbraw/zinc/25/55/68/213255568.db2.gz LXLOCNGAYVQXFK-UHFFFAOYSA-N 0 0 326.450 4.174 50 0 EIAARN Cc1nc2ccc(NC(=O)[C@@H](C)n3cnc4ccccc43)cc2s1 ZINC000040072790 213257671 /nfs/dbraw/zinc/25/76/71/213257671.db2.gz SVVTZENICCYOCB-LLVKDONJSA-N 0 0 336.420 4.154 50 0 EIAARN Cc1noc([C@@H](C)NC(=O)Nc2ccc(SC3CCCC3)cc2)n1 ZINC000069588543 215486561 /nfs/dbraw/zinc/48/65/61/215486561.db2.gz MRHJFDWHSOIJCS-LLVKDONJSA-N 0 0 346.456 4.295 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1cccs1 ZINC000040067805 213257004 /nfs/dbraw/zinc/25/70/04/213257004.db2.gz RTDQVLIIQLTBQN-ZDUSSCGKSA-N 0 0 328.437 4.439 50 0 EIAARN CC(C)NC(=O)CSCc1csc(-c2ccccc2Cl)n1 ZINC000040067205 213256776 /nfs/dbraw/zinc/25/67/76/213256776.db2.gz YMXBTDSHDMCQBB-UHFFFAOYSA-N 0 0 340.901 4.221 50 0 EIAARN Cc1cc(C(=O)Nc2ccc3ccccc3n2)c2cnn(C(C)C)c2n1 ZINC000040023481 213251901 /nfs/dbraw/zinc/25/19/01/213251901.db2.gz YOSCHLHHAZYOTG-UHFFFAOYSA-N 0 0 345.406 4.121 50 0 EIAARN CC(C)c1ccc(NC(=O)NCc2ccccc2Cn2ccnc2)cc1 ZINC000040024075 213251770 /nfs/dbraw/zinc/25/17/70/213251770.db2.gz ZWXGJRZOFJBKCN-UHFFFAOYSA-N 0 0 348.450 4.377 50 0 EIAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1C(F)(F)F ZINC000040017146 213251437 /nfs/dbraw/zinc/25/14/37/213251437.db2.gz LZAILKPGJGXEPH-UHFFFAOYSA-N 0 0 343.308 4.415 50 0 EIAARN Cc1nc([C@@H](C)NC(=O)CCCc2nc3ccccc3s2)cs1 ZINC000069591701 215489594 /nfs/dbraw/zinc/48/95/94/215489594.db2.gz CAECRCVGTHYBDA-LLVKDONJSA-N 0 0 345.493 4.261 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000039995494 213249085 /nfs/dbraw/zinc/24/90/85/213249085.db2.gz OLIKDPDEXXXRLI-QGZVFWFLSA-N 0 0 345.512 4.124 50 0 EIAARN Cc1c(C(=O)N2c3ccccc3C[C@H]2C)sc2nc(C)nc(C)c12 ZINC000039549151 213239394 /nfs/dbraw/zinc/23/93/94/213239394.db2.gz HMRRATXXKYWECZ-SNVBAGLBSA-N 0 0 337.448 4.208 50 0 EIAARN CCOC(=O)c1sc(-c2ccc(OCC(C)C)c(C=O)c2)nc1C ZINC000039351848 213234300 /nfs/dbraw/zinc/23/43/00/213234300.db2.gz AIQMFFCWDAIGNV-UHFFFAOYSA-N 0 0 347.436 4.143 50 0 EIAARN CCc1nnc(C2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)s1 ZINC000038900568 213229917 /nfs/dbraw/zinc/22/99/17/213229917.db2.gz GWBMPNRHXPGUSN-MRXNPFEDSA-N 0 0 343.496 4.000 50 0 EIAARN Cc1ccc(F)cc1NC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000001055146 209704259 /nfs/dbraw/zinc/70/42/59/209704259.db2.gz YYQULOIETDOUKA-UHFFFAOYSA-N 0 0 331.730 4.146 50 0 EIAARN COc1ccc(CSc2nnc(-c3ccccc3Cl)n2C)cc1 ZINC000001049306 209703637 /nfs/dbraw/zinc/70/36/37/209703637.db2.gz GWGPZJUSSKFCFN-UHFFFAOYSA-N 0 0 345.855 4.436 50 0 EIAARN C[C@@H](Oc1ccccc1)c1nn2c(nnc2-c2cccc(F)c2)s1 ZINC000001018180 209702197 /nfs/dbraw/zinc/70/21/97/209702197.db2.gz HQUFEJYTKMWFKX-LLVKDONJSA-N 0 0 340.383 4.132 50 0 EIAARN C[C@H](Oc1ccccc1)c1nn2c(nnc2-c2cccc(F)c2)s1 ZINC000001018179 209701910 /nfs/dbraw/zinc/70/19/10/209701910.db2.gz HQUFEJYTKMWFKX-NSHDSACASA-N 0 0 340.383 4.132 50 0 EIAARN O=C(Nc1ccccc1-c1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000000800469 209686209 /nfs/dbraw/zinc/68/62/09/209686209.db2.gz WOEPEUPWXFJIHW-FQEVSTJZSA-N 0 0 331.371 4.132 50 0 EIAARN COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000000621658 209684899 /nfs/dbraw/zinc/68/48/99/209684899.db2.gz XYNAAHMZCALJER-OAQYLSRUSA-N 0 0 347.414 4.223 50 0 EIAARN Cc1nc2cc(NC(=O)c3csc(-n4cccc4)n3)ccc2s1 ZINC000038679121 213220146 /nfs/dbraw/zinc/22/01/46/213220146.db2.gz LXVOLZJTZMOEKK-UHFFFAOYSA-N 0 0 340.433 4.104 50 0 EIAARN CCCC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1 ZINC000000612198 209677170 /nfs/dbraw/zinc/67/71/70/209677170.db2.gz XCYADPOZSBWEBE-UHFFFAOYSA-N 0 0 344.802 4.244 50 0 EIAARN Cc1ccc(Oc2cccc(NC(=O)Nc3ccccc3F)c2)nn1 ZINC000038670765 213219204 /nfs/dbraw/zinc/21/92/04/213219204.db2.gz LNZZJMXHOWOJMR-UHFFFAOYSA-N 0 0 338.342 4.360 50 0 EIAARN O=C(Nc1sccc1-c1nc2ccccc2s1)c1cnccn1 ZINC000038493101 213211173 /nfs/dbraw/zinc/21/11/73/213211173.db2.gz RTDHMAQBCSHYRD-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000000611000 209676233 /nfs/dbraw/zinc/67/62/33/209676233.db2.gz NZKAZZXDXRJUAP-UHFFFAOYSA-N 0 0 340.448 4.161 50 0 EIAARN CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(F)cc3)c2c1 ZINC000038487337 213209776 /nfs/dbraw/zinc/20/97/76/213209776.db2.gz PDUYUVKVWONCKK-UHFFFAOYSA-N 0 0 340.354 4.303 50 0 EIAARN COC(=O)c1cc(Nc2ccc(F)c(F)c2)c2cc(C)ccc2n1 ZINC000038486808 213210351 /nfs/dbraw/zinc/21/03/51/213210351.db2.gz RFWGTINGAXPSKR-UHFFFAOYSA-N 0 0 328.318 4.352 50 0 EIAARN Cc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(C)c(C)c3)no1)cn2C ZINC000038487799 213210496 /nfs/dbraw/zinc/21/04/96/213210496.db2.gz PPZPXDULEKKLHD-UHFFFAOYSA-N 0 0 345.402 4.181 50 0 EIAARN COC(=O)c1cc(Nc2cc(Cl)ccc2OC)c2ccccc2n1 ZINC000038486581 213210499 /nfs/dbraw/zinc/21/04/99/213210499.db2.gz IKXIACYRIURRNE-UHFFFAOYSA-N 0 0 342.782 4.427 50 0 EIAARN Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNc2ccccc2)CCCC1 ZINC000000571474 209668532 /nfs/dbraw/zinc/66/85/32/209668532.db2.gz VUIDSLGOAMDLLG-SFHVURJKSA-N 0 0 334.463 4.302 50 0 EIAARN CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000000549271 209660456 /nfs/dbraw/zinc/66/04/56/209660456.db2.gz QJPFEAYAWOQJHU-AWEZNQCLSA-N 0 0 328.799 4.106 50 0 EIAARN CCOC(=O)c1sc(Nc2ccc(Br)cc2)nc1C ZINC000000546488 209659557 /nfs/dbraw/zinc/65/95/57/209659557.db2.gz JTUFIQNTLMJXON-UHFFFAOYSA-N 0 0 341.230 4.134 50 0 EIAARN CCC[C@@H]1C[C@](C)(c2csc(Nc3ccccc3OC)n2)OC1=O ZINC000000518492 209643147 /nfs/dbraw/zinc/64/31/47/209643147.db2.gz WSDGNMGDWQSZKD-KZULUSFZSA-N 0 0 346.452 4.474 50 0 biogenic EIAARN COc1cc(OC)c(C(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000000496869 209635184 /nfs/dbraw/zinc/63/51/84/209635184.db2.gz GWAWUBABAKCQIL-UHFFFAOYSA-N 0 0 329.396 4.088 50 0 EIAARN Cc1nc2cc(C(=O)N(C)c3nccs3)ccc2n1-c1ccccc1 ZINC000069816338 215594258 /nfs/dbraw/zinc/59/42/58/215594258.db2.gz NIRNKFFVYFZOCL-UHFFFAOYSA-N 0 0 348.431 4.067 50 0 EIAARN CC(C)NC(=O)Cc1ccc(NCc2ccc(F)c(Cl)c2)cc1 ZINC000037554690 213157128 /nfs/dbraw/zinc/15/71/28/213157128.db2.gz JEIIBEIHGCRVRC-UHFFFAOYSA-N 0 0 334.822 4.158 50 0 EIAARN O=C(Nc1ccc(Br)cc1Cl)OCC(F)(F)F ZINC000037389170 213143805 /nfs/dbraw/zinc/14/38/05/213143805.db2.gz IKQGFJLFTBMAKZ-UHFFFAOYSA-N 0 0 332.503 4.213 50 0 EIAARN Cc1cccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1C ZINC000037136787 213134489 /nfs/dbraw/zinc/13/44/89/213134489.db2.gz LFLJFLJMGXXWLW-UHFFFAOYSA-N 0 0 343.496 4.388 50 0 EIAARN C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3Cl)o2)C1 ZINC000000483919 209629673 /nfs/dbraw/zinc/62/96/73/209629673.db2.gz KFAGUWAWGZOSNX-ZDUSSCGKSA-N 0 0 333.815 4.384 50 0 EIAARN Cc1ccc(O)c([C@H](CC(=O)NCc2ccco2)c2ccccc2)c1 ZINC000000477284 209625578 /nfs/dbraw/zinc/62/55/78/209625578.db2.gz BLGBSCFPHWVUTD-GOSISDBHSA-N 0 0 335.403 4.132 50 0 EIAARN Cc1ccc(C(=O)C(=O)Nc2cccnc2Oc2ccccc2)cc1 ZINC000036837285 213122355 /nfs/dbraw/zinc/12/23/55/213122355.db2.gz IPZJEUUUIFZEGM-UHFFFAOYSA-N 0 0 332.359 4.004 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1ccccc1)c1ccccn1 ZINC000036835734 213122423 /nfs/dbraw/zinc/12/24/23/213122423.db2.gz BTPNMOKHCVYFRE-QFIPXVFZSA-N 0 0 341.414 4.011 50 0 EIAARN C[C@]1(C(=O)Nc2cccnc2Oc2ccccc2)CC1(Cl)Cl ZINC000036837279 213122834 /nfs/dbraw/zinc/12/28/34/213122834.db2.gz KSLVFWDGFKEYDW-OAHLLOKOSA-N 0 0 337.206 4.396 50 0 EIAARN Cn1c(=O)c2ccsc2nc1SCc1c(F)cccc1Cl ZINC000036787889 213118982 /nfs/dbraw/zinc/11/89/82/213118982.db2.gz WSOVUKHPWGKLBR-UHFFFAOYSA-N 0 0 340.832 4.080 50 0 EIAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccccc2Cl)n1 ZINC000036763634 213117303 /nfs/dbraw/zinc/11/73/03/213117303.db2.gz YXFYESZPULRBJG-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN CSc1nc2ccc(NC(=O)c3ccnn3C(C)C)cc2s1 ZINC000036701760 213110852 /nfs/dbraw/zinc/11/08/52/213110852.db2.gz JUHVTVIUMRHGOA-UHFFFAOYSA-N 0 0 332.454 4.048 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)sc2nc(C)nc(C)c12 ZINC000036714527 213113656 /nfs/dbraw/zinc/11/36/56/213113656.db2.gz MPQZRJZPTKLLSH-UHFFFAOYSA-N 0 0 325.437 4.486 50 0 EIAARN O=C(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C1CC1 ZINC000000457457 209613041 /nfs/dbraw/zinc/61/30/41/209613041.db2.gz MCIXXAILVOMKQO-UHFFFAOYSA-N 0 0 340.762 4.429 50 0 EIAARN COc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000000450231 209608333 /nfs/dbraw/zinc/60/83/33/209608333.db2.gz STFWTHVOHZPUMH-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N(CC)c1ccccc1 ZINC000036616575 213102603 /nfs/dbraw/zinc/10/26/03/213102603.db2.gz XSHAVSCQDGPREJ-UHFFFAOYSA-N 0 0 348.450 4.385 50 0 EIAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000036620823 213105184 /nfs/dbraw/zinc/10/51/84/213105184.db2.gz DJSQGIBTNXTHGR-KRWDZBQOSA-N 0 0 338.407 4.135 50 0 EIAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)c1 ZINC000036620532 213105244 /nfs/dbraw/zinc/10/52/44/213105244.db2.gz GEUBZADPCWFDSM-SFHVURJKSA-N 0 0 329.465 4.138 50 0 EIAARN COc1ccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)cc1OC ZINC000036620506 213105226 /nfs/dbraw/zinc/10/52/26/213105226.db2.gz OAMBSPZPNQOCLF-INIZCTEOSA-N 0 0 345.826 4.335 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1OC ZINC000036620611 213104765 /nfs/dbraw/zinc/10/47/65/213104765.db2.gz WQUBBHWXUXEOFC-MRXNPFEDSA-N 0 0 344.386 4.212 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1OC ZINC000036620902 213104818 /nfs/dbraw/zinc/10/48/18/213104818.db2.gz ZJFDWCPWYCDQMN-KRWDZBQOSA-N 0 0 340.423 4.381 50 0 EIAARN FC(F)Oc1cc(Br)c(Cl)c(Br)c1 ZINC000036532707 213099237 /nfs/dbraw/zinc/09/92/37/213099237.db2.gz CNYUMFXKDDOMFQ-UHFFFAOYSA-N 0 0 336.357 4.466 50 0 EIAARN COc1cccc(CC(=O)Nc2cccnc2Oc2ccccc2)c1 ZINC000036390944 213094579 /nfs/dbraw/zinc/09/45/79/213094579.db2.gz LWVKGJVVLPFSQY-UHFFFAOYSA-N 0 0 334.375 4.064 50 0 EIAARN COC(=O)c1ccccc1N(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000036396197 213096972 /nfs/dbraw/zinc/09/69/72/213096972.db2.gz XMERQOVYOAEVKK-UHFFFAOYSA-N 0 0 338.190 4.057 50 0 EIAARN COc1cccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccc(F)c2)c1 ZINC000036367040 213090749 /nfs/dbraw/zinc/09/07/49/213090749.db2.gz YMYJRIZVZPVWNE-MRXNPFEDSA-N 0 0 337.354 4.144 50 0 EIAARN Clc1cc(Cl)cc(-c2nn3c(nnc3-c3ccncc3)s2)c1 ZINC000036358504 213090058 /nfs/dbraw/zinc/09/00/58/213090058.db2.gz SUMHFGFDIWSPDQ-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN COc1ccccc1[C@H]1CC(=O)Nc2c1ncn2-c1ccc(F)cc1 ZINC000036359963 213089931 /nfs/dbraw/zinc/08/99/31/213089931.db2.gz SHXPUIMXDZXZFC-OAHLLOKOSA-N 0 0 337.354 4.144 50 0 EIAARN O=C1C[C@H](c2cc(F)ccc2F)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036352620 213087575 /nfs/dbraw/zinc/08/75/75/213087575.db2.gz CXNUOSYINZSJKF-CQSZACIVSA-N 0 0 343.308 4.413 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H](OCc3ccc(F)c(F)c3)C2)cc1 ZINC000036315100 213082785 /nfs/dbraw/zinc/08/27/85/213082785.db2.gz HPICYCAKLGDALT-KRWDZBQOSA-N 0 0 345.389 4.095 50 0 EIAARN O=C(c1ccccc1Cl)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000036314457 213083188 /nfs/dbraw/zinc/08/31/88/213083188.db2.gz JVIMZWZBTCPFDU-HNNXBMFYSA-N 0 0 347.817 4.301 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000000444995 209603997 /nfs/dbraw/zinc/60/39/97/209603997.db2.gz OUELYCJXDNYVGJ-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CC(C)CN(Cc1csc(COc2ccccc2)n1)C(=O)C1CC1 ZINC000036114412 213070464 /nfs/dbraw/zinc/07/04/64/213070464.db2.gz OCECMYIJWZGFNQ-UHFFFAOYSA-N 0 0 344.480 4.117 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(Br)c1 ZINC000000442586 209603292 /nfs/dbraw/zinc/60/32/92/209603292.db2.gz WSOVUZXOMLSLCP-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN CC[C@@H](C)N(Cc1csc(COc2ccc(C)cc2)n1)C(C)=O ZINC000036114680 213070373 /nfs/dbraw/zinc/07/03/73/213070373.db2.gz ZRFUEZJKGYEKAC-CQSZACIVSA-N 0 0 332.469 4.178 50 0 EIAARN COc1cccc(Nc2c(-c3ccc(O)cc3)nc3ccccn32)c1 ZINC000035616163 213043187 /nfs/dbraw/zinc/04/31/87/213043187.db2.gz VYAACXGZAMSZII-UHFFFAOYSA-N 0 0 331.375 4.459 50 0 EIAARN COc1cccc(Nc2c(-c3cccc(O)c3)nc3ccccn32)c1 ZINC000035616214 213042147 /nfs/dbraw/zinc/04/21/47/213042147.db2.gz VJVAQYXILUZMQF-UHFFFAOYSA-N 0 0 331.375 4.459 50 0 EIAARN Cc1ccc(-n2nnnc2C2(Nc3ccccc3C)CCCC2)cc1 ZINC000035622750 213042210 /nfs/dbraw/zinc/04/22/10/213042210.db2.gz HKDALABGOBUKKA-UHFFFAOYSA-N 0 0 333.439 4.161 50 0 EIAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOC12CCCCC2 ZINC000035671066 213044959 /nfs/dbraw/zinc/04/49/59/213044959.db2.gz WOPLQGABEXJJPP-UHFFFAOYSA-N 0 0 346.814 4.128 50 0 EIAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1ccncc1 ZINC000035555157 213037134 /nfs/dbraw/zinc/03/71/34/213037134.db2.gz LOUWGTRFPCIJNO-UHFFFAOYSA-N 0 0 340.408 4.021 50 0 EIAARN COc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000433801 209598694 /nfs/dbraw/zinc/59/86/94/209598694.db2.gz UYWJBYFBDVIUOF-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN Cc1c2ccccc2oc1-c1nnc(C(=O)NC2CCC(C)CC2)o1 ZINC000035503537 213033870 /nfs/dbraw/zinc/03/38/70/213033870.db2.gz WEPABQQHDYYZMF-UHFFFAOYSA-N 0 0 339.395 4.100 50 0 EIAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2oc1=O ZINC000000434107 209598437 /nfs/dbraw/zinc/59/84/37/209598437.db2.gz XOIYNPKBLLUCTA-UHFFFAOYSA-N 0 0 348.185 4.030 50 0 EIAARN Cc1nc(-c2cc(NC(=O)Cc3ccc(Cl)cc3)c(C)s2)no1 ZINC000035510864 213035663 /nfs/dbraw/zinc/03/56/63/213035663.db2.gz HEYSSJPSNYBTRD-UHFFFAOYSA-N 0 0 347.827 4.250 50 0 EIAARN Cc1cccc(Oc2ccc(-c3noc(-c4ccnn4C)n3)cc2)c1 ZINC000035512516 213035790 /nfs/dbraw/zinc/03/57/90/213035790.db2.gz CSMGKOSNJUPXFR-UHFFFAOYSA-N 0 0 332.363 4.238 50 0 EIAARN CCCCC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399495 213026347 /nfs/dbraw/zinc/02/63/47/213026347.db2.gz SSLUCQSLIJRPHZ-UHFFFAOYSA-N 0 0 341.430 4.050 50 0 biogenic EIAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1cccc(Br)c1 ZINC000071283896 215752823 /nfs/dbraw/zinc/75/28/23/215752823.db2.gz GKYTXZFDGTWUIM-GFCCVEGCSA-N 0 0 334.217 4.350 50 0 EIAARN COc1cc(OC)c(NC(=O)n2nc(C)c3ccccc32)cc1Cl ZINC000035422246 213027577 /nfs/dbraw/zinc/02/75/77/213027577.db2.gz HQTJSJRMMRKVGW-UHFFFAOYSA-N 0 0 345.786 4.096 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000000432130 209597108 /nfs/dbraw/zinc/59/71/08/209597108.db2.gz UXROLCNQKSZJQK-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1cccc(C2=N/C(=C/c3ccccc3C(F)(F)F)C(=O)O2)c1 ZINC000000431163 209597206 /nfs/dbraw/zinc/59/72/06/209597206.db2.gz JXFBZOWLAKRBPP-XNTDXEJSSA-N 0 0 331.293 4.358 50 0 EIAARN COc1ccc(CNc2cccc(NC(=O)CC(C)C)c2)c(OC)c1 ZINC000035287239 213018030 /nfs/dbraw/zinc/01/80/30/213018030.db2.gz ZDTUBTMWLZIIKY-UHFFFAOYSA-N 0 0 342.439 4.301 50 0 EIAARN Cc1c(Cl)cccc1N1C(=O)C[C@H]([C@@H](C)c2ccccc2)C1=O ZINC000035142047 213009418 /nfs/dbraw/zinc/00/94/18/213009418.db2.gz RWCOEDHENPOZRT-SWLSCSKDSA-N 0 0 327.811 4.332 50 0 EIAARN Clc1cccc(-c2cnn3c2nccc3-c2ccc3c(c2)OCO3)c1 ZINC000071384921 215766626 /nfs/dbraw/zinc/76/66/26/215766626.db2.gz IVDIXCRTTLSRPA-UHFFFAOYSA-N 0 0 349.777 4.445 50 0 EIAARN CCc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000034928430 213000717 /nfs/dbraw/zinc/00/07/17/213000717.db2.gz RRDMHKGZJPEWDW-UHFFFAOYSA-N 0 0 337.398 4.460 50 0 EIAARN Cc1ccc(NC(=O)N2CCc3c(c4ccccc4n3C)C2)c(C)c1 ZINC000034928378 213001457 /nfs/dbraw/zinc/00/14/57/213001457.db2.gz BRDFAJBIJFLRLA-UHFFFAOYSA-N 0 0 333.435 4.385 50 0 EIAARN Cc1ccccc1/C=C/C(=O)N1CCC(n2cnc3ccccc32)CC1 ZINC000034915265 212998630 /nfs/dbraw/zinc/99/86/30/212998630.db2.gz YSAJIIPREPLHRA-ZHACJKMWSA-N 0 0 345.446 4.222 50 0 EIAARN COc1ccccc1-c1n[nH]c(C)c1NC(=O)c1cccc(Cl)c1 ZINC000034796254 212988930 /nfs/dbraw/zinc/98/89/30/212988930.db2.gz PUKHLYKBHMIBMV-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN Cc1cc2c(cc(C(=O)N3CCCC3)n2CCc2ccccc2)s1 ZINC000034680305 212982638 /nfs/dbraw/zinc/98/26/38/212982638.db2.gz MYDYPXWWGFBIMG-UHFFFAOYSA-N 0 0 338.476 4.490 50 0 EIAARN COc1ccc(OC)c([C@](C)(O)[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000071767157 215821600 /nfs/dbraw/zinc/82/16/00/215821600.db2.gz TWZHQIAQMJDYBM-VXKWHMMOSA-N 0 0 349.430 4.138 50 0 EIAARN Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1ccc(C)cc1)C2 ZINC000000427724 209592459 /nfs/dbraw/zinc/59/24/59/209592459.db2.gz HUUGMDXWBLKXTB-MRXNPFEDSA-N 0 0 339.435 4.357 50 0 EIAARN c1ccc(-c2nc(Oc3cccc4ccccc43)cc3nnnn32)cc1 ZINC000033608810 212956720 /nfs/dbraw/zinc/95/67/20/212956720.db2.gz AWKNOJSOTOCKAA-UHFFFAOYSA-N 0 0 339.358 4.132 50 0 EIAARN CCc1ccccc1Nc1ncnc2c1cnn2-c1ccc(OC)cc1 ZINC000000425628 209588899 /nfs/dbraw/zinc/58/88/99/209588899.db2.gz AHFZKSRHGMCCSU-UHFFFAOYSA-N 0 0 345.406 4.130 50 0 EIAARN CCCOc1ccc(CNC(=O)c2ccc(-c3cccnc3)cc2)cc1 ZINC000033282205 212916432 /nfs/dbraw/zinc/91/64/32/212916432.db2.gz YXUYQZASSCYWFU-UHFFFAOYSA-N 0 0 346.430 4.467 50 0 EIAARN O=C(NCc1ccccc1)Nc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000033257314 212911327 /nfs/dbraw/zinc/91/13/27/212911327.db2.gz VJTACEMTOMPLAS-UHFFFAOYSA-N 0 0 348.406 4.326 50 0 EIAARN CC(=O)Nc1nc2c(cc(NC(=O)CCC3CCCC3)cc2C)s1 ZINC000032961337 212881545 /nfs/dbraw/zinc/88/15/45/212881545.db2.gz UHWOVSWCFWMVNL-UHFFFAOYSA-N 0 0 345.468 4.472 50 0 EIAARN Cc1cccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c1 ZINC000032958374 212880866 /nfs/dbraw/zinc/88/08/66/212880866.db2.gz AVCYKQIPAFTPQO-UHFFFAOYSA-N 0 0 346.434 4.181 50 0 EIAARN CC[C@@H](C(=O)N(CC)Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000032978469 212884483 /nfs/dbraw/zinc/88/44/83/212884483.db2.gz PDOKFOFSPWBKFE-GOSISDBHSA-N 0 0 339.435 4.000 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000032981798 212883866 /nfs/dbraw/zinc/88/38/66/212883866.db2.gz AHNIDKFLECRZSO-UHFFFAOYSA-N 0 0 325.195 4.393 50 0 EIAARN C[C@H]1CCc2ccccc2N1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000032869447 212858580 /nfs/dbraw/zinc/85/85/80/212858580.db2.gz YURBRFBNUYKMBH-KRWDZBQOSA-N 0 0 334.463 4.264 50 0 EIAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1ccncc1 ZINC000032845912 212856421 /nfs/dbraw/zinc/85/64/21/212856421.db2.gz OMWODDQBBDQPJL-HXUWFJFHSA-N 0 0 328.371 4.347 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)c1csc(-c2ccccc2)n1 ZINC000032740796 212831844 /nfs/dbraw/zinc/83/18/44/212831844.db2.gz JVDLEJWSJGCJIR-HNNXBMFYSA-N 0 0 336.416 4.064 50 0 EIAARN CCc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)cc1 ZINC000032642822 212820773 /nfs/dbraw/zinc/82/07/73/212820773.db2.gz HSAUIZQYUBDRNI-UHFFFAOYSA-N 0 0 346.434 4.045 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000032632854 212820700 /nfs/dbraw/zinc/82/07/00/212820700.db2.gz ULRMNPYOLCMPEK-UHFFFAOYSA-N 0 0 342.398 4.469 50 0 EIAARN O=C(Nc1cccc(C(F)F)c1)N[C@H](CCCO)c1ccccc1 ZINC000071921163 215969063 /nfs/dbraw/zinc/96/90/63/215969063.db2.gz JWRZWMQCOWGZQI-MRXNPFEDSA-N 0 0 334.366 4.260 50 0 EIAARN CCC(=O)Nc1ccc(-c2csc(N3CCC(C)CC3)n2)cc1 ZINC000071971828 215983593 /nfs/dbraw/zinc/98/35/93/215983593.db2.gz YAFMENOHAFTQFC-UHFFFAOYSA-N 0 0 329.469 4.395 50 0 EIAARN Cc1ccccc1-c1nnc(SCC(=O)c2ccccc2F)o1 ZINC000000417835 209580522 /nfs/dbraw/zinc/58/05/22/209580522.db2.gz ZRNGVNKTHOGIBS-UHFFFAOYSA-N 0 0 328.368 4.159 50 0 EIAARN Fc1ccc(Oc2ccc(-c3noc(-c4cnccn4)n3)cc2)cc1 ZINC000035512520 213035046 /nfs/dbraw/zinc/03/50/46/213035046.db2.gz JRRBELDQCXDMEP-UHFFFAOYSA-N 0 0 334.310 4.125 50 0 EIAARN Cc1cc(C)cc(-c2nnc(SCC(=O)OC3CCCCC3)o2)c1 ZINC000000415477 209579518 /nfs/dbraw/zinc/57/95/18/209579518.db2.gz XGHDQLVIFREKNI-UHFFFAOYSA-N 0 0 346.452 4.321 50 0 EIAARN CN(Cc1cc(-c2ccccc2)no1)Cc1ccnn1-c1ccccc1 ZINC000072122375 216015240 /nfs/dbraw/zinc/01/52/40/216015240.db2.gz IYKPKXWJJHGQJV-UHFFFAOYSA-N 0 0 344.418 4.159 50 0 EIAARN CC(C)c1noc([C@H](C)Nc2cc(-c3ccccc3)nc3ccnn32)n1 ZINC000072139109 216025869 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/nfs/dbraw/zinc/20/37/76/212203776.db2.gz NKCYZTWYTHTGBJ-SFHVURJKSA-N 0 0 327.428 4.276 50 0 EIAARN Cc1ccc(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)s1 ZINC000076091508 216711193 /nfs/dbraw/zinc/71/11/93/216711193.db2.gz CBQHMLIISWJCCJ-UHFFFAOYSA-N 0 0 334.388 4.197 50 0 EIAARN Cc1ccccc1-c1cnnc(N[C@@H](C)Cn2ccc3ccccc32)n1 ZINC000020999349 212197378 /nfs/dbraw/zinc/19/73/78/212197378.db2.gz QYYUHVUZZSEVGK-INIZCTEOSA-N 0 0 343.434 4.302 50 0 EIAARN Cc1cccc([C@H](CC(=O)N2CCc3ccccc32)n2cccc2)c1 ZINC000020998968 212197176 /nfs/dbraw/zinc/19/71/76/212197176.db2.gz LXTOFDWTZDMIIP-NRFANRHFSA-N 0 0 330.431 4.365 50 0 EIAARN COc1ccc(NC(=O)C[C@@H](c2cccs2)n2cccc2)cc1 ZINC000020996986 212196306 /nfs/dbraw/zinc/19/63/06/212196306.db2.gz ZGHBDNVEYCBTHD-INIZCTEOSA-N 0 0 326.421 4.176 50 0 EIAARN C[C@@H](CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)n1cccn1 ZINC000020990609 212194660 /nfs/dbraw/zinc/19/46/60/212194660.db2.gz BVHLPKBZKOWUPU-AWEZNQCLSA-N 0 0 345.406 4.016 50 0 EIAARN Cc1cc(C)c(-c2c(=O)c(=O)c2NCc2ccccc2Cl)cc1C ZINC000020939768 212191826 /nfs/dbraw/zinc/19/18/26/212191826.db2.gz AUQVTCHUEZEGDM-UHFFFAOYSA-N 0 0 339.822 4.140 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000240540892 242973521 /nfs/dbraw/zinc/97/35/21/242973521.db2.gz GPYZHJNWBUPBGM-UHFFFAOYSA-N 0 0 337.423 4.234 50 0 EIAARN CCc1nnc2c(NC[C@H](C)c3ccccc3)nc3ccccc3n12 ZINC000020939734 212191258 /nfs/dbraw/zinc/19/12/58/212191258.db2.gz CXLNLYCWKAZJGU-AWEZNQCLSA-N 0 0 331.423 4.056 50 0 EIAARN C[C@@H](NC(=O)N1CCC[C@H]1C1CCC1)c1nc(C(F)(F)F)cs1 ZINC000239654524 242958756 /nfs/dbraw/zinc/95/87/56/242958756.db2.gz BOECJVKZPXWXNE-KOLCDFICSA-N 0 0 347.406 4.197 50 0 EIAARN COc1cccnc1-c1cccc(-c2ccn(Cc3cscn3)n2)c1 ZINC000020910361 212186637 /nfs/dbraw/zinc/18/66/37/212186637.db2.gz WFMXKLIZWYXQCX-UHFFFAOYSA-N 0 0 348.431 4.126 50 0 EIAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccco1 ZINC000020900070 212184666 /nfs/dbraw/zinc/18/46/66/212184666.db2.gz SJTCTFKSHZOOLA-UHFFFAOYSA-N 0 0 331.331 4.249 50 0 EIAARN CCc1ccccc1N(C)C(=O)c1noc2c1COc1ccccc1-2 ZINC000020901923 212184432 /nfs/dbraw/zinc/18/44/32/212184432.db2.gz BZLJBQOSHWVNFN-UHFFFAOYSA-N 0 0 334.375 4.073 50 0 EIAARN c1coc(-c2nc(NCc3ccc(OCc4ccccc4)cc3)n[nH]2)c1 ZINC000020894671 212183417 /nfs/dbraw/zinc/18/34/17/212183417.db2.gz KAQLZUWEKAMQCB-UHFFFAOYSA-N 0 0 346.390 4.256 50 0 EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@H](C)C2)o1 ZINC000020893339 212183362 /nfs/dbraw/zinc/18/33/62/212183362.db2.gz UWWGARYEGHLZIJ-HNNXBMFYSA-N 0 0 349.434 4.313 50 0 EIAARN CC(=O)Nc1sc2c(c1C(=O)OCc1ccc(F)cc1)CCCC2 ZINC000020793823 212171328 /nfs/dbraw/zinc/17/13/28/212171328.db2.gz CWLORBQMLVRJEX-UHFFFAOYSA-N 0 0 347.411 4.081 50 0 EIAARN CCCCCn1c2ccccc2n(CCOc2ccc(C)cc2)c1=N ZINC000020807460 212174450 /nfs/dbraw/zinc/17/44/50/212174450.db2.gz VZJOBDYBMHGESN-UHFFFAOYSA-N 0 0 337.467 4.500 50 0 EIAARN Cc1oc2c(c1C(=O)N[C@H](CC(C)C)c1cccnc1)C(=O)CCC2 ZINC000244718856 243068225 /nfs/dbraw/zinc/06/82/25/243068225.db2.gz LSERIRNHPJRPSG-OAHLLOKOSA-N 0 0 340.423 4.019 50 0 EIAARN O=C(Oc1ccc2c(Cc3ccccc3F)noc2c1)c1cccnc1 ZINC000020745333 212168183 /nfs/dbraw/zinc/16/81/83/212168183.db2.gz FPEYCGHEQLFTPY-UHFFFAOYSA-N 0 0 348.333 4.172 50 0 EIAARN c1ccc([C@H]2C[C@H](N3CCCCC3)Oc3cc4c(cc32)OCO4)cc1 ZINC000020719705 212164021 /nfs/dbraw/zinc/16/40/21/212164021.db2.gz RQQFFNMHVWUEHQ-IIBYNOLFSA-N 0 0 337.419 4.142 50 0 EIAARN CCCn1nc(C)c2c1nc(-c1cnn(CC)c1C)cc2C(F)F ZINC000020615959 212156289 /nfs/dbraw/zinc/15/62/89/212156289.db2.gz ZCDLTMQWUFLTRF-UHFFFAOYSA-N 0 0 333.386 4.279 50 0 EIAARN C[C@H](c1ccccc1)N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 ZINC000020610213 212154854 /nfs/dbraw/zinc/15/48/54/212154854.db2.gz WQTPFZRODSHMAT-CQSZACIVSA-N 0 0 347.414 4.195 50 0 biogenic EIAARN CCCCn1c2nc(C3CC3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020607749 212154263 /nfs/dbraw/zinc/15/42/63/212154263.db2.gz CCIYVKAJLZCEGI-UHFFFAOYSA-N 0 0 343.374 4.150 50 0 EIAARN CCn1c2nc(-c3ccccc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605441 212152933 /nfs/dbraw/zinc/15/29/33/212152933.db2.gz BZVAKLGMDZLFHV-UHFFFAOYSA-N 0 0 333.363 4.079 50 0 EIAARN Cc1csc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)n1 ZINC000020539269 212146077 /nfs/dbraw/zinc/14/60/77/212146077.db2.gz QSPKKZSHXKOCBL-UHFFFAOYSA-N 0 0 332.432 4.425 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)NCCC3=CCCCC3)c1CO2 ZINC000020509758 212141875 /nfs/dbraw/zinc/14/18/75/212141875.db2.gz ABIQYFLOGMVBFQ-UHFFFAOYSA-N 0 0 338.407 4.163 50 0 EIAARN COCc1ncsc1C(=O)N(CC(C)(C)C)c1ccc(F)cc1 ZINC000252480028 243766215 /nfs/dbraw/zinc/76/62/15/243766215.db2.gz BSLZLDUPOHOZTL-UHFFFAOYSA-N 0 0 336.432 4.122 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H](c1ccccc1)n1cccc1 ZINC000253411882 243922362 /nfs/dbraw/zinc/92/23/62/243922362.db2.gz PFQGZAPPMOAAJE-MRXNPFEDSA-N 0 0 345.324 4.130 50 0 EIAARN O=C(c1ccc(OCCSc2ccccc2)cc1)N1CCCC1 ZINC000020489726 212138231 /nfs/dbraw/zinc/13/82/31/212138231.db2.gz RRMZZWJZKCAFMJ-UHFFFAOYSA-N 0 0 327.449 4.094 50 0 EIAARN COc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)[nH]c2C)c1 ZINC000020486815 212137967 /nfs/dbraw/zinc/13/79/67/212137967.db2.gz YMMNGCRZDUMSRD-UHFFFAOYSA-N 0 0 338.382 4.068 50 0 EIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc(-c2ccco2)on1 ZINC000253471374 243991524 /nfs/dbraw/zinc/99/15/24/243991524.db2.gz BXWAAPYDJREDCY-LBPRGKRZSA-N 0 0 336.347 4.042 50 0 EIAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497716 244006782 /nfs/dbraw/zinc/00/67/82/244006782.db2.gz ITUMQEGPSUTXQQ-CNOFOZGGSA-N 0 0 346.511 4.178 50 0 EIAARN CCc1ccc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)cc1 ZINC000020467828 212134463 /nfs/dbraw/zinc/13/44/63/212134463.db2.gz ZBMAPCMUGAEOIU-UHFFFAOYSA-N 0 0 340.814 4.044 50 0 EIAARN Cc1cc(=O)[nH]c2cc(NC(=O)[C@@H](CC(C)C)n3cccc3)ccc12 ZINC000253623832 244042391 /nfs/dbraw/zinc/04/23/91/244042391.db2.gz PBWFOZGSAXGBGI-GOSISDBHSA-N 0 0 337.423 4.276 50 0 EIAARN COc1cccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c1 ZINC000020437312 212128589 /nfs/dbraw/zinc/12/85/89/212128589.db2.gz NFDJGQQGKIHCLJ-FQEVSTJZSA-N 0 0 345.402 4.170 50 0 EIAARN O=C(c1ccc(NC2CC2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000020295239 212116266 /nfs/dbraw/zinc/11/62/66/212116266.db2.gz NLOZAAUDAIDTQA-KRWDZBQOSA-N 0 0 335.451 4.066 50 0 EIAARN CCc1ccccc1Nc1c2[nH]cccc-2c(=O)n1Cc1cccs1 ZINC000020319471 212118919 /nfs/dbraw/zinc/11/89/19/212118919.db2.gz LCSSTRCDZVFHDD-LJQANCHMSA-N 0 0 349.459 4.472 50 0 EIAARN CCc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1 ZINC000020319318 212118617 /nfs/dbraw/zinc/11/86/17/212118617.db2.gz CKVFJEQMYGSQJU-IBGZPJMESA-N 0 0 349.459 4.472 50 0 EIAARN COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cccc(O)c2O3)cc1 ZINC000020132930 212104674 /nfs/dbraw/zinc/10/46/74/212104674.db2.gz PWOPARZECZIJII-UHFFFAOYSA-N 0 0 338.388 4.217 50 0 EIAARN Cc1cccc(C)c1NC(=S)[C@H](c1ccccc1)N1CCOCC1 ZINC000020130345 212103971 /nfs/dbraw/zinc/10/39/71/212103971.db2.gz LWMQYASCROCZCR-IBGZPJMESA-N 0 0 340.492 4.116 50 0 EIAARN O=C(Nc1ccc2oc(=O)ccc2c1)C1(c2ccccc2)CCCC1 ZINC000020096596 212100008 /nfs/dbraw/zinc/10/00/08/212100008.db2.gz VZDHIWBJWPYICV-UHFFFAOYSA-N 0 0 333.387 4.244 50 0 EIAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 ZINC000019957424 212089292 /nfs/dbraw/zinc/08/92/92/212089292.db2.gz QQEZGFCQZXAUBP-QFIPXVFZSA-N 0 0 342.446 4.347 50 0 EIAARN Fc1ccccc1Cc1nnc2sc(/C=C/c3ccccc3)nn12 ZINC000019910107 212082803 /nfs/dbraw/zinc/08/28/03/212082803.db2.gz UFWPZSUKEKTPKP-ZHACJKMWSA-N 0 0 336.395 4.086 50 0 EIAARN Cc1cccc([C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1 ZINC000077456005 216909520 /nfs/dbraw/zinc/90/95/20/216909520.db2.gz WPQNSBCLJASIGR-FQEVSTJZSA-N 0 0 345.446 4.201 50 0 EIAARN Fc1ccccc1-c1nnc2n1N=C(c1ccccc1Cl)CS2 ZINC000019826807 212073145 /nfs/dbraw/zinc/07/31/45/212073145.db2.gz VKFMLSOYMODBTL-UHFFFAOYSA-N 0 0 344.802 4.096 50 0 EIAARN COc1ccccc1Cn1ccc(-c2cccc(-c3nccn3C)c2)n1 ZINC000019799608 212070174 /nfs/dbraw/zinc/07/01/74/212070174.db2.gz NGHNNTMNYCHBRW-UHFFFAOYSA-N 0 0 344.418 4.008 50 0 EIAARN Cc1cc(C)n([C@H]2CCN(c3nc(-c4ccc(F)cc4)cs3)C2)n1 ZINC000077503831 216921295 /nfs/dbraw/zinc/92/12/95/216921295.db2.gz TYLMYIULZMWSOP-INIZCTEOSA-N 0 0 342.443 4.214 50 0 EIAARN CC[C@@H](C)[C@@H](c1nc(C(C)(C)C)no1)N1Cc2ccccc2C1=O ZINC000019794383 212069187 /nfs/dbraw/zinc/06/91/87/212069187.db2.gz UHEVAIAAMLCHAK-DOMZBBRYSA-N 0 0 327.428 4.110 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(N)ccc1F ZINC000019736573 212059586 /nfs/dbraw/zinc/05/95/86/212059586.db2.gz HSFUFMSTWKXSFC-QMMMGPOBSA-N 0 0 343.185 4.121 50 0 EIAARN CCc1ccc(OCCNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000019738228 212059260 /nfs/dbraw/zinc/05/92/60/212059260.db2.gz XAKNQACDELNILW-NRFANRHFSA-N 0 0 341.451 4.298 50 0 EIAARN CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736526 212059330 /nfs/dbraw/zinc/05/93/30/212059330.db2.gz UFBPKFOWDPKQNQ-LBPRGKRZSA-N 0 0 332.831 4.452 50 0 EIAARN CCCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC ZINC000019736217 212058655 /nfs/dbraw/zinc/05/86/55/212058655.db2.gz JFMLOMIGFNEXEM-UHFFFAOYSA-N 0 0 342.439 4.489 50 0 EIAARN Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000019736137 212058464 /nfs/dbraw/zinc/05/84/64/212058464.db2.gz UHLYXWNSSKTNBN-CQSZACIVSA-N 0 0 326.440 4.281 50 0 EIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000019736465 212058593 /nfs/dbraw/zinc/05/85/93/212058593.db2.gz OXEXIAUKQFAXCL-UHFFFAOYSA-N 0 0 332.831 4.372 50 0 EIAARN C[C@@H](NC(=O)N(C)[C@@H](C)c1ccncc1)c1ccc(F)cc1Cl ZINC000077669981 216952537 /nfs/dbraw/zinc/95/25/37/216952537.db2.gz KVTZTYGQNJSRSS-NEPJUHHUSA-N 0 0 335.810 4.338 50 0 EIAARN O=C(Nc1ccccc1Br)c1coc(-c2ccccc2)n1 ZINC000078024014 217012121 /nfs/dbraw/zinc/01/21/21/217012121.db2.gz ORZKMJNHXXOGCT-UHFFFAOYSA-N 0 0 343.180 4.356 50 0 EIAARN CCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1Cl)C2=O ZINC000019327945 212017240 /nfs/dbraw/zinc/01/72/40/212017240.db2.gz DICBLSUPHGIOHD-UHFFFAOYSA-N 0 0 346.902 4.126 50 0 EIAARN CC(C)c1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1 ZINC000047516549 213853626 /nfs/dbraw/zinc/85/36/26/213853626.db2.gz XTBORQYKFLITEK-UHFFFAOYSA-N 0 0 349.434 4.375 50 0 EIAARN CCOc1ccc2cccc(NC(=O)c3cc(-c4ccco4)on3)c2n1 ZINC000049414774 214006964 /nfs/dbraw/zinc/00/69/64/214006964.db2.gz DAKBGMTZUUSGTG-UHFFFAOYSA-N 0 0 349.346 4.134 50 0 EIAARN O=C(/C=C/c1ccccc1)N(Cc1ccsc1)Cc1ccccn1 ZINC000049521585 214014188 /nfs/dbraw/zinc/01/41/88/214014188.db2.gz RZLRUERAFIFDAQ-MDZDMXLPSA-N 0 0 334.444 4.385 50 0 EIAARN Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cc(F)cc(F)c3)o2)c1 ZINC000019297258 212013139 /nfs/dbraw/zinc/01/31/39/212013139.db2.gz FYJGYDPJIOHBRS-LLVKDONJSA-N 0 0 344.317 4.241 50 0 EIAARN c1ccc2[nH]c(CNCc3cccnc3N3CCCCCCC3)nc2c1 ZINC000019148798 212001451 /nfs/dbraw/zinc/00/14/51/212001451.db2.gz ADHSMYGDTOUQHR-UHFFFAOYSA-N 0 0 349.482 4.018 50 0 EIAARN CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccc[nH]3)o2)cc1 ZINC000018364641 211994268 /nfs/dbraw/zinc/99/42/68/211994268.db2.gz ZXLJEPYXPWXVAD-UHFFFAOYSA-N 0 0 341.436 4.337 50 0 EIAARN C[C@@H]1CCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c2C1 ZINC000018275980 211993610 /nfs/dbraw/zinc/99/36/10/211993610.db2.gz DZMQBDBEHWNHRW-SNVBAGLBSA-N 0 0 328.462 4.235 50 0 EIAARN Cc1cc(C)n(CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000018178802 211986669 /nfs/dbraw/zinc/98/66/69/211986669.db2.gz DZPSLNABYNQEKD-UHFFFAOYSA-N 0 0 341.242 4.019 50 0 EIAARN Fc1ccc([C@@H](Cn2cnc3ccccc32)NCc2ccccn2)cc1 ZINC000078552695 217073451 /nfs/dbraw/zinc/07/34/51/217073451.db2.gz FQHFNCPZDQCBIZ-HXUWFJFHSA-N 0 0 346.409 4.102 50 0 EIAARN COC(=O)c1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000018079742 211979827 /nfs/dbraw/zinc/97/98/27/211979827.db2.gz RJNGZLUIYRWKQR-UHFFFAOYSA-N 0 0 339.435 4.043 50 0 EIAARN C[C@@H](Nc1ncc(Br)cn1)c1cccc(C(F)(F)F)c1 ZINC000078582891 217080419 /nfs/dbraw/zinc/08/04/19/217080419.db2.gz NVLIMYKJHOHRSD-MRVPVSSYSA-N 0 0 346.150 4.431 50 0 EIAARN O=C(c1ccsc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000017960240 211975380 /nfs/dbraw/zinc/97/53/80/211975380.db2.gz BNGUSXQKZKZYIO-UHFFFAOYSA-N 0 0 328.462 4.378 50 0 EIAARN COc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC ZINC000017338674 211967142 /nfs/dbraw/zinc/96/71/42/211967142.db2.gz DMVOQXSGSIJGDZ-UHFFFAOYSA-N 0 0 344.169 4.402 50 0 EIAARN Cc1cc(C)n2cc(CSc3nc4ccccc4s3)nc2n1 ZINC000017355350 211966994 /nfs/dbraw/zinc/96/69/94/211966994.db2.gz NEVOKQYILKYHEF-UHFFFAOYSA-N 0 0 326.450 4.248 50 0 EIAARN C[C@@]1(C(=O)Nc2cc(-c3ccccc3)ns2)CC1(Cl)Cl ZINC000078792110 217122979 /nfs/dbraw/zinc/12/29/79/217122979.db2.gz SVQBNLQYOYMTNQ-ZDUSSCGKSA-N 0 0 327.236 4.333 50 0 EIAARN Clc1ccc(-c2nn(-c3ccccc3)cc2Cn2cccn2)cc1 ZINC000078805441 217126163 /nfs/dbraw/zinc/12/61/63/217126163.db2.gz HMGLPSVBOOXVRT-UHFFFAOYSA-N 0 0 334.810 4.438 50 0 EIAARN O=C(Nc1cccc(Oc2ccncc2)c1)c1c[nH]c2ncccc12 ZINC000078806402 217126487 /nfs/dbraw/zinc/12/64/87/217126487.db2.gz YMRQWTSPCBVLKJ-UHFFFAOYSA-N 0 0 330.347 4.003 50 0 EIAARN CC(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 ZINC000017012987 211945121 /nfs/dbraw/zinc/94/51/21/211945121.db2.gz GKKUCOWJGHIGLL-UHFFFAOYSA-N 0 0 333.395 4.231 50 0 EIAARN O=C(CCc1csc2nc(-c3ccccc3)cn12)N1CCCCC1 ZINC000016848743 211937562 /nfs/dbraw/zinc/93/75/62/211937562.db2.gz YKGVLRTWOLRIAM-UHFFFAOYSA-N 0 0 339.464 4.008 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1 ZINC000016753685 211933128 /nfs/dbraw/zinc/93/31/28/211933128.db2.gz ZNFHBUAZUJZIEX-UHFFFAOYSA-N 0 0 336.391 4.189 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1cccc(C(F)(F)F)c1 ZINC000016604419 211919111 /nfs/dbraw/zinc/91/91/11/211919111.db2.gz WNZZHPPGNZQUAX-UHFFFAOYSA-N 0 0 345.118 4.115 50 0 EIAARN COc1ccc(NC(=O)c2c(C)noc2C)cc1Cc1ccccc1 ZINC000016274647 211892351 /nfs/dbraw/zinc/89/23/51/211892351.db2.gz LHZQCDSODSXIJT-UHFFFAOYSA-N 0 0 336.391 4.143 50 0 EIAARN COC[C@@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000079101192 217192646 /nfs/dbraw/zinc/19/26/46/217192646.db2.gz NSHFJLMUQVJGHC-GOSISDBHSA-N 0 0 338.451 4.168 50 0 EIAARN CCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000016070031 211880105 /nfs/dbraw/zinc/88/01/05/211880105.db2.gz HENXEGXEYWGZRR-OAHLLOKOSA-N 0 0 326.827 4.479 50 0 EIAARN CC(C)Oc1ccc(NC(=O)NCc2cc(C(C)C)no2)c(F)c1 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COc1ccc2ccccc2c1Cc1cc(-c2ccccc2)n[nH]c1=O ZINC000079474324 217229181 /nfs/dbraw/zinc/22/91/81/217229181.db2.gz MKNXMXZKNCFQLF-UHFFFAOYSA-N 0 0 342.398 4.190 50 0 EIAARN CC(C)(C)c1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000015722421 211845420 /nfs/dbraw/zinc/84/54/20/211845420.db2.gz CLGIJQBECRHKQV-LGMDPLHJSA-N 0 0 336.460 4.246 50 0 EIAARN CCc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000015017307 211789567 /nfs/dbraw/zinc/78/95/67/211789567.db2.gz WDZCZXXOSVQBLZ-HNNXBMFYSA-N 0 0 330.225 4.290 50 0 EIAARN COc1ccc(Br)c(C[C@H]2C(=O)Nc3ccc(C)cc32)c1 ZINC000015017722 211789635 /nfs/dbraw/zinc/78/96/35/211789635.db2.gz FTEPSPRMOAUDOI-CQSZACIVSA-N 0 0 346.224 4.045 50 0 EIAARN Cc1cc(Cn2cc(-c3cccc(Oc4ccccc4)c3)nn2)no1 ZINC000082134565 217475294 /nfs/dbraw/zinc/47/52/94/217475294.db2.gz RJAQOQYIXGNBCY-UHFFFAOYSA-N 0 0 332.363 4.082 50 0 EIAARN CC[C@@H]1c2cccn2CCN1C(=O)c1csc(-c2cccs2)n1 ZINC000082134156 217475337 /nfs/dbraw/zinc/47/53/37/217475337.db2.gz SYMCFDSPRAQSHZ-CYBMUJFWSA-N 0 0 343.477 4.280 50 0 EIAARN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C ZINC000014218865 211713950 /nfs/dbraw/zinc/71/39/50/211713950.db2.gz UPANPXPGQPPATL-MRXNPFEDSA-N 0 0 331.481 4.466 50 0 EIAARN O=C(NCCc1ccco1)c1ccc(C2SCCCS2)cc1 ZINC000014139019 211691898 /nfs/dbraw/zinc/69/18/98/211691898.db2.gz XVKVLQBDAWOHCF-UHFFFAOYSA-N 0 0 333.478 4.121 50 0 EIAARN CC(=O)NCc1ccc(-c2nc(-c3ccc(O)cc3)sc2C)s1 ZINC000014103552 211682790 /nfs/dbraw/zinc/68/27/90/211682790.db2.gz YNCZXCVLTTVMAM-UHFFFAOYSA-N 0 0 344.461 4.189 50 0 EIAARN CCN(CC)c1ccc(-c2nnc(S[C@@H]3CCCCC3=O)o2)cc1 ZINC000084774025 217645617 /nfs/dbraw/zinc/64/56/17/217645617.db2.gz CBHLRYTZYHFSRP-MRXNPFEDSA-N 0 0 345.468 4.187 50 0 EIAARN COc1ccccc1-n1c(C)nnc1-c1ccc(Br)cc1 ZINC000084847776 217650006 /nfs/dbraw/zinc/65/00/06/217650006.db2.gz CCXAVTXHPGUSRI-UHFFFAOYSA-N 0 0 344.212 4.014 50 0 EIAARN Cc1ccc(-c2nc(CNC(=O)Cc3cccs3)cs2)cc1 ZINC000013736821 211627371 /nfs/dbraw/zinc/62/73/71/211627371.db2.gz NIICRHUVYHDHRP-UHFFFAOYSA-N 0 0 328.462 4.039 50 0 EIAARN C[C@@H]1CCc2sc3ncn4c(Cc5cccs5)nnc4c3c2C1 ZINC000013733009 211625340 /nfs/dbraw/zinc/62/53/40/211625340.db2.gz SCSCUEXBCHXIEG-SNVBAGLBSA-N 0 0 340.477 4.116 50 0 EIAARN CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000013720794 211620545 /nfs/dbraw/zinc/62/05/45/211620545.db2.gz FPFUJJBMKMJVIY-FQEVSTJZSA-N 0 0 344.418 4.108 50 0 EIAARN Clc1ccc(Oc2ccc(NCc3noc(C4CC4)n3)cc2)nc1 ZINC000086211338 217692826 /nfs/dbraw/zinc/69/28/26/217692826.db2.gz QGWIROFAMKQCSU-UHFFFAOYSA-N 0 0 342.786 4.400 50 0 EIAARN CCCN(Cc1ccccc1)C(=S)Nc1ccc(C(C)=O)cc1 ZINC000013685206 211611237 /nfs/dbraw/zinc/61/12/37/211611237.db2.gz BAQJEWUWFZYGBK-UHFFFAOYSA-N 0 0 326.465 4.498 50 0 EIAARN Cc1csc([C@@H](NC(=O)N([C@H](C)c2ccco2)C2CC2)C2CC2)n1 ZINC000086424503 217696816 /nfs/dbraw/zinc/69/68/16/217696816.db2.gz ISMGKSAGPYIYAM-WBMJQRKESA-N 0 0 345.468 4.431 50 0 EIAARN COc1ccccc1/C=C/C1=N/C(=C\C=C/c2ccccc2)C(=O)O1 ZINC000013116679 211523137 /nfs/dbraw/zinc/52/31/37/211523137.db2.gz NRMFNYCMDKFRDD-AFQBDUBXSA-N 0 0 331.371 4.261 50 0 EIAARN CCc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 ZINC000013006760 211509215 /nfs/dbraw/zinc/50/92/15/211509215.db2.gz PNIBOXZXPXULDN-UHFFFAOYSA-N 0 0 337.398 4.443 50 0 EIAARN Cc1cc(CNC(=O)N(Cc2ccco2)c2cccc(Cl)c2)on1 ZINC000089608692 217817606 /nfs/dbraw/zinc/81/76/06/217817606.db2.gz KQEAGZPQJVKTTE-UHFFFAOYSA-N 0 0 345.786 4.146 50 0 EIAARN O=C(Nc1ccccc1N1CCCC1=O)c1cccc(Cl)c1Cl ZINC000012932172 211486277 /nfs/dbraw/zinc/48/62/77/211486277.db2.gz HVXVDKDLEUEBJU-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN O=C(CCC(F)(F)F)N1CCC(Oc2ccccc2Cl)CC1 ZINC000089814438 217850161 /nfs/dbraw/zinc/85/01/61/217850161.db2.gz OZESHBUDMQSFLX-UHFFFAOYSA-N 0 0 335.753 4.052 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1 ZINC000012805834 211461207 /nfs/dbraw/zinc/46/12/07/211461207.db2.gz NYOVZOKZXLDNII-JLHYYAGUSA-N 0 0 346.386 4.063 50 0 EIAARN Cc1cc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)ccc1F ZINC000012789879 211457395 /nfs/dbraw/zinc/45/73/95/211457395.db2.gz SAMLHHATWRJRRW-UHFFFAOYSA-N 0 0 349.409 4.127 50 0 EIAARN CCc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000012680876 211432540 /nfs/dbraw/zinc/43/25/40/211432540.db2.gz VIVRBKFRWVMISC-UHFFFAOYSA-N 0 0 334.375 4.347 50 0 EIAARN Cc1ccc([C@H](NC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 ZINC000012781753 211454957 /nfs/dbraw/zinc/45/49/57/211454957.db2.gz LDMCBVUDMMNGAA-IBGZPJMESA-N 0 0 348.450 4.202 50 0 EIAARN Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012755943 211446333 /nfs/dbraw/zinc/44/63/33/211446333.db2.gz CKAIVXOLDVJNSZ-CQSZACIVSA-N 0 0 347.867 4.445 50 0 EIAARN Cc1ccc(-n2cnnc2SCc2nc3ccccc3o2)c(C)c1 ZINC000012543257 211405823 /nfs/dbraw/zinc/40/58/23/211405823.db2.gz JPEXPCPKLIHPMQ-UHFFFAOYSA-N 0 0 336.420 4.318 50 0 EIAARN CCOc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 ZINC000012619189 211424993 /nfs/dbraw/zinc/42/49/93/211424993.db2.gz RBWHOPBVXZCPMF-UHFFFAOYSA-N 0 0 342.420 4.040 50 0 EIAARN Cc1noc(C)c1C(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000012429814 211377408 /nfs/dbraw/zinc/37/74/08/211377408.db2.gz GAUQKQBCJZWGHO-HNNXBMFYSA-N 0 0 348.393 4.055 50 0 EIAARN Cc1cc(NC(=O)c2ccco2)c2cc(Br)ccc2n1 ZINC000012422103 211376687 /nfs/dbraw/zinc/37/66/87/211376687.db2.gz QZUJJCWNFHZKFR-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012527104 211399007 /nfs/dbraw/zinc/39/90/07/211399007.db2.gz JZFPJBUQMPGFEG-SNVBAGLBSA-N 0 0 342.342 4.100 50 0 EIAARN Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn32)n1 ZINC000012525526 211398544 /nfs/dbraw/zinc/39/85/44/211398544.db2.gz UKRGSOZLBYBWIO-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Cc1nc(NC(=O)c2cccc3ccccc32)sc1-c1nccn1C ZINC000012520191 211398170 /nfs/dbraw/zinc/39/81/70/211398170.db2.gz GCCSTYUJXMODQZ-UHFFFAOYSA-N 0 0 348.431 4.258 50 0 EIAARN CCN(Cc1ccncc1)C(=O)CSc1ccc2ccccc2c1 ZINC000012511320 211395592 /nfs/dbraw/zinc/39/55/92/211395592.db2.gz QMUKGKVZLMOQOE-UHFFFAOYSA-N 0 0 336.460 4.376 50 0 EIAARN Cc1ccc(CNC(=O)c2ccc(-c3ccccc3)nc2C)cc1F ZINC000012488911 211393582 /nfs/dbraw/zinc/39/35/82/211393582.db2.gz ROTNHLNFDXADQK-UHFFFAOYSA-N 0 0 334.394 4.435 50 0 EIAARN Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3cccc(F)c3)c2cc1C ZINC000012475027 211391821 /nfs/dbraw/zinc/39/18/21/211391821.db2.gz WJNBDPMJHYBXEM-UHFFFAOYSA-N 0 0 347.393 4.196 50 0 EIAARN Cc1c([C@@H](C)NC(=O)c2ccsc2)cnn1-c1ccccc1C ZINC000012441265 211383590 /nfs/dbraw/zinc/38/35/90/211383590.db2.gz HQBGWLXYULJONG-CYBMUJFWSA-N 0 0 325.437 4.042 50 0 EIAARN Cc1cc(NC(=O)C(C)(C)C)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441683 211383052 /nfs/dbraw/zinc/38/30/52/211383052.db2.gz GGWSAFTZDVDZQW-UHFFFAOYSA-N 0 0 340.452 4.289 50 0 EIAARN CC(C)(C)CC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000012381416 211361521 /nfs/dbraw/zinc/36/15/21/211361521.db2.gz FXFNECFKVCQDBF-UHFFFAOYSA-N 0 0 343.298 4.074 50 0 EIAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccccc4C)no3)CC2=O)c(C)c1 ZINC000012416214 211373855 /nfs/dbraw/zinc/37/38/55/211373855.db2.gz OHSILAXWCHSTGT-INIZCTEOSA-N 0 0 347.418 4.182 50 0 EIAARN Cc1nc(-n2cccc2)sc1C(=O)Nc1nc2ccccc2s1 ZINC000012408234 211372406 /nfs/dbraw/zinc/37/24/06/211372406.db2.gz YOCROJUWLRXYLL-UHFFFAOYSA-N 0 0 340.433 4.104 50 0 EIAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)c(OC)c1 ZINC000012323119 211348013 /nfs/dbraw/zinc/34/80/13/211348013.db2.gz PHZVVKVZLVNMLX-UHFFFAOYSA-N 0 0 348.402 4.382 50 0 EIAARN Cc1nc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)c[nH]1 ZINC000012317296 211345169 /nfs/dbraw/zinc/34/51/69/211345169.db2.gz VETDNEWSOGYLDX-QGZVFWFLSA-N 0 0 339.483 4.111 50 0 EIAARN Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@@H](c1ccccc1)O2 ZINC000012297025 211335638 /nfs/dbraw/zinc/33/56/38/211335638.db2.gz IIBKUPHYBRWTHU-INIZCTEOSA-N 0 0 334.371 4.425 50 0 biogenic EIAARN Cc1ccc(-c2cc(COC(=O)COc3ccccc3C)no2)cc1 ZINC000012236671 211327699 /nfs/dbraw/zinc/32/76/99/211327699.db2.gz QMIOWKHMJRSGKV-UHFFFAOYSA-N 0 0 337.375 4.081 50 0 EIAARN O=C(NCc1ccc(F)cc1)N(Cc1ccoc1)Cc1cccs1 ZINC000090612231 217945065 /nfs/dbraw/zinc/94/50/65/217945065.db2.gz GYAXOMHTXYTOCS-UHFFFAOYSA-N 0 0 344.411 4.392 50 0 EIAARN Cn1c2c(cccc2Cl)s/c1=N/C(=O)c1ccc(Cl)s1 ZINC000012180820 211310562 /nfs/dbraw/zinc/31/05/62/211310562.db2.gz NDMUCNVFBSKZIP-DTQAZKPQSA-N 0 0 343.260 4.349 50 0 EIAARN CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1 ZINC000012138729 211303703 /nfs/dbraw/zinc/30/37/03/211303703.db2.gz ROUZPADBDJILLU-CYBMUJFWSA-N 0 0 326.396 4.075 50 0 EIAARN CCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000012138498 211303710 /nfs/dbraw/zinc/30/37/10/211303710.db2.gz ODRUVQJCOWZXMP-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000012138422 211303541 /nfs/dbraw/zinc/30/35/41/211303541.db2.gz LGLRAXWJRJOUNY-GFCCVEGCSA-N 0 0 330.815 4.121 50 0 EIAARN O=C1S[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 ZINC000012136860 211301745 /nfs/dbraw/zinc/30/17/45/211301745.db2.gz KKRLHHUYWODRFV-ZDUSSCGKSA-N 0 0 336.775 4.117 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000012138229 211301096 /nfs/dbraw/zinc/30/10/96/211301096.db2.gz ZDLYSAQRSPYZEK-LBPRGKRZSA-N 0 0 330.815 4.121 50 0 EIAARN CCn1ccnc1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC000091289435 217989097 /nfs/dbraw/zinc/98/90/97/217989097.db2.gz OGKHIPLCPHYDRJ-IBGZPJMESA-N 0 0 339.483 4.049 50 0 EIAARN Cc1nc2c(c(SCCCOc3ccc(Cl)cc3)n1)CCC2 ZINC000012017002 211279630 /nfs/dbraw/zinc/27/96/30/211279630.db2.gz JVPRKXLGVFKEFS-UHFFFAOYSA-N 0 0 334.872 4.488 50 0 EIAARN CCCCC1CCC(C(=O)Nc2nnc([C@H]3CCCO3)s2)CC1 ZINC000011990485 211276710 /nfs/dbraw/zinc/27/67/10/211276710.db2.gz XPRFPAUBYUSJLW-JXQTWKCFSA-N 0 0 337.489 4.325 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cn1 ZINC000011937910 211271716 /nfs/dbraw/zinc/27/17/16/211271716.db2.gz KGMDILVESRNOMI-HXUWFJFHSA-N 0 0 337.467 4.230 50 0 EIAARN CCN(C(=O)c1[nH]c2ccc(C)cc2c1C)[C@@H]1CCOC(C)(C)C1 ZINC000091444530 218007158 /nfs/dbraw/zinc/00/71/58/218007158.db2.gz OCLNMHFQRHRUHC-OAHLLOKOSA-N 0 0 328.456 4.204 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1 ZINC000011915451 211267799 /nfs/dbraw/zinc/26/77/99/211267799.db2.gz MACMWXWUJWGCMV-CYBMUJFWSA-N 0 0 328.412 4.231 50 0 EIAARN CCCOc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 ZINC000011914418 211267389 /nfs/dbraw/zinc/26/73/89/211267389.db2.gz HPDIDHXSZSAIJV-UHFFFAOYSA-N 0 0 345.449 4.308 50 0 EIAARN C[C@H](Cc1ccccn1)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000091475565 218012548 /nfs/dbraw/zinc/01/25/48/218012548.db2.gz LKUQWQPUVZNGJP-CYBMUJFWSA-N 0 0 340.810 4.356 50 0 EIAARN Cc1noc([C@@H]2CCCCN2C(=O)c2oc3cc(C)ccc3c2C)n1 ZINC000091625603 218034557 /nfs/dbraw/zinc/03/45/57/218034557.db2.gz ANHOTPGBIKUZPR-HNNXBMFYSA-N 0 0 339.395 4.108 50 0 EIAARN COc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3cccnc3)oc2c1 ZINC000091625618 218034024 /nfs/dbraw/zinc/03/40/24/218034024.db2.gz FRVNMFYIDANITE-KRWDZBQOSA-N 0 0 336.391 4.122 50 0 EIAARN Cc1sc(-c2ccccc2Cl)nc1C(=O)NCc1ccccn1 ZINC000011867535 211261707 /nfs/dbraw/zinc/26/17/07/211261707.db2.gz NNNAPPVAASEGPU-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN CC(C)Cc1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)on1 ZINC000091575121 218023738 /nfs/dbraw/zinc/02/37/38/218023738.db2.gz BQGPCNURLQVHDS-UHFFFAOYSA-N 0 0 337.423 4.159 50 0 EIAARN Cn1c2c(ccc3ccccc23)s/c1=N/C(=O)c1cccc(F)c1 ZINC000011847345 211256488 /nfs/dbraw/zinc/25/64/88/211256488.db2.gz JITUXCMULRSESN-XUTLUUPISA-N 0 0 336.391 4.273 50 0 EIAARN CC(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C1CCOCC1 ZINC000011842626 211256094 /nfs/dbraw/zinc/25/60/94/211256094.db2.gz YBCOAVCIPACPJL-IBGZPJMESA-N 0 0 340.467 4.066 50 0 EIAARN Fc1ccc([C@H](CCNc2nnc(C3CC3)o2)c2ccco2)cc1 ZINC000091707691 218052867 /nfs/dbraw/zinc/05/28/67/218052867.db2.gz JFDFGJRIEGUYMZ-HNNXBMFYSA-N 0 0 327.359 4.313 50 0 EIAARN O=C(Cc1cc(-c2ccc(F)cc2)on1)NCCC1=CCCCC1 ZINC000011693122 211236862 /nfs/dbraw/zinc/23/68/62/211236862.db2.gz WOVBTEKNJWEMGA-UHFFFAOYSA-N 0 0 328.387 4.030 50 0 EIAARN CCCc1ccc2oc(C(=O)NCCc3ccc(O)cc3)c(C)c2c1 ZINC000011813063 211248859 /nfs/dbraw/zinc/24/88/59/211248859.db2.gz ZOMWJQBVQHTUMH-UHFFFAOYSA-N 0 0 337.419 4.372 50 0 EIAARN Cc1c2ccccc2oc1Cn1cc([C@H]2CCOC(C)(C)C2)nn1 ZINC000091645593 218038498 /nfs/dbraw/zinc/03/84/98/218038498.db2.gz VESLZIQQOZFYRP-AWEZNQCLSA-N 0 0 325.412 4.054 50 0 EIAARN O=C(NCC1(c2ccccc2)CC1)c1cc(F)ccc1Br ZINC000011750441 211243645 /nfs/dbraw/zinc/24/36/45/211243645.db2.gz VUPYLRKACFYEIO-UHFFFAOYSA-N 0 0 348.215 4.050 50 0 EIAARN COc1cccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)c1 ZINC000011557742 211222184 /nfs/dbraw/zinc/22/21/84/211222184.db2.gz CBEGORLMVWGYJQ-HNNXBMFYSA-N 0 0 332.400 4.193 50 0 EIAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccc(Cl)cc1 ZINC000011690277 211236020 /nfs/dbraw/zinc/23/60/20/211236020.db2.gz SZHFUGOWNFECGX-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN Cc1ccc([C@H]2Cc3cc(C(=O)NC4CCCC4)ccc3C(=O)O2)cc1 ZINC000011692922 211235226 /nfs/dbraw/zinc/23/52/26/211235226.db2.gz LKRSIKAUJUGHLT-HXUWFJFHSA-N 0 0 349.430 4.122 50 0 EIAARN Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 ZINC000011662195 211230042 /nfs/dbraw/zinc/23/00/42/211230042.db2.gz NAFPTVAGDVXQFR-GFCCVEGCSA-N 0 0 349.402 4.070 50 0 EIAARN CCCN1CCCc2cc(CCNC(=O)c3ccccc3C)ccc21 ZINC000011612957 211224542 /nfs/dbraw/zinc/22/45/42/211224542.db2.gz SMDIMAURRILNTH-UHFFFAOYSA-N 0 0 336.479 4.130 50 0 EIAARN CCN(Cc1ccc(SC)cc1)C(=O)c1cc(CC(C)C)nn1C ZINC000091860352 218079380 /nfs/dbraw/zinc/07/93/80/218079380.db2.gz ATQHTPSTZCROJA-UHFFFAOYSA-N 0 0 345.512 4.003 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(C)cc(C)c2)c(OC)c1 ZINC000011336956 211214139 /nfs/dbraw/zinc/21/41/39/211214139.db2.gz CYZCWPAGBCGTCO-LJQANCHMSA-N 0 0 339.435 4.298 50 0 EIAARN O=C(NCc1csc2c1CCCC2)c1ccc([C@@H]2CCCO2)s1 ZINC000091894528 218085605 /nfs/dbraw/zinc/08/56/05/218085605.db2.gz XHLJEEPHBFJHIF-AWEZNQCLSA-N 0 0 347.505 4.470 50 0 EIAARN CCCc1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)[nH]n1 ZINC000091894944 218085610 /nfs/dbraw/zinc/08/56/10/218085610.db2.gz ZVKXFQJAYDSCRS-SFHVURJKSA-N 0 0 329.419 4.259 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)cc(C)c2)c(OC)c1 ZINC000011336958 211213343 /nfs/dbraw/zinc/21/33/43/211213343.db2.gz CYZCWPAGBCGTCO-IBGZPJMESA-N 0 0 339.435 4.298 50 0 EIAARN Cc1c([C@@H](C)NC(=O)c2sccc2Cl)cnn1-c1ccccc1 ZINC000091906661 218087373 /nfs/dbraw/zinc/08/73/73/218087373.db2.gz IRJNEBYFBOSRRR-LLVKDONJSA-N 0 0 345.855 4.387 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccc2c1CCC2=O ZINC000011100675 211203806 /nfs/dbraw/zinc/20/38/06/211203806.db2.gz LDCMPWCFZSFXQM-LBPRGKRZSA-N 0 0 343.810 4.183 50 0 EIAARN O=C(CSCc1nc2ccccc2s1)Nc1cccc(F)c1 ZINC000011102207 211203356 /nfs/dbraw/zinc/20/33/56/211203356.db2.gz ICGMGZIHOZZLJP-UHFFFAOYSA-N 0 0 332.425 4.307 50 0 EIAARN Cc1cccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000011072238 211202660 /nfs/dbraw/zinc/20/26/60/211202660.db2.gz NPPTWHYBXKCOAD-UHFFFAOYSA-N 0 0 346.430 4.171 50 0 EIAARN COc1ccc(C(C)=O)cc1COc1ccc(C)c2c1C(=O)C[C@@H]2C ZINC000011052738 211202476 /nfs/dbraw/zinc/20/24/76/211202476.db2.gz WHHINTCBJMIWQD-ZDUSSCGKSA-N 0 0 338.403 4.475 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)CCc3ccc(Cl)cc3)cnc21 ZINC000011056026 211202309 /nfs/dbraw/zinc/20/23/09/211202309.db2.gz HDEODKXGUBBFLE-UHFFFAOYSA-N 0 0 342.830 4.237 50 0 EIAARN Cc1ccc(OCC(=O)NCCC2=CCCCC2)c2c1[C@H](C)CC2=O ZINC000011052703 211202330 /nfs/dbraw/zinc/20/23/30/211202330.db2.gz LHFMWEZKBDNZBM-OAHLLOKOSA-N 0 0 341.451 4.070 50 0 EIAARN Cc1cc(C)c2c(n1)sc1c2N[C@H](c2ccc(Cl)s2)NC1=O ZINC000011036544 211201945 /nfs/dbraw/zinc/20/19/45/211201945.db2.gz FIRLEWMFAYZHBF-ZDUSSCGKSA-N 0 0 349.868 4.482 50 0 EIAARN O=C(Nc1nnc([C@@H]2CCCO2)o1)c1sc2ccccc2c1Cl ZINC000010970666 211197798 /nfs/dbraw/zinc/19/77/98/211197798.db2.gz MGEOIJKKCJQCJR-VIFPVBQESA-N 0 0 349.799 4.042 50 0 EIAARN CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000010943573 211196115 /nfs/dbraw/zinc/19/61/15/211196115.db2.gz VJTITRPXAXOVGD-GFCCVEGCSA-N 0 0 345.830 4.046 50 0 EIAARN Cc1cc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)ccc1Cl ZINC000011207907 211206379 /nfs/dbraw/zinc/20/63/79/211206379.db2.gz ANENFBQWMGUAMW-IBGZPJMESA-N 0 0 329.827 4.295 50 0 EIAARN O=C(Nc1ccccc1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000010808758 211189532 /nfs/dbraw/zinc/18/95/32/211189532.db2.gz AOICVYVYWCIZQU-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN CC(C)n1ncc2cc(NC(=O)/C=C/c3ccc(Cl)s3)cnc21 ZINC000010763844 211188244 /nfs/dbraw/zinc/18/82/44/211188244.db2.gz VGHGWPYGDAWQSG-GQCTYLIASA-N 0 0 346.843 4.379 50 0 EIAARN CCn1c2ccccc2nc1NC(=O)CCn1ccc2ccccc21 ZINC000010652283 211184661 /nfs/dbraw/zinc/18/46/61/211184661.db2.gz LHASJDNVTWLLDF-UHFFFAOYSA-N 0 0 332.407 4.040 50 0 EIAARN Cc1c2ccccc2oc1C(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1 ZINC000010643855 211183840 /nfs/dbraw/zinc/18/38/40/211183840.db2.gz ZOIAPABSDMHUEW-QGZVFWFLSA-N 0 0 345.402 4.178 50 0 EIAARN COc1ccc(-c2cc(C(=O)N(C)CCCC3CCCC3)[nH]n2)cc1 ZINC000092047056 218110402 /nfs/dbraw/zinc/11/04/02/218110402.db2.gz UGBNDOOSJLDBGK-UHFFFAOYSA-N 0 0 341.455 4.128 50 0 EIAARN O=C(Cc1ccc2ccccc2c1)NCc1coc(-c2cccs2)n1 ZINC000010873789 211192827 /nfs/dbraw/zinc/19/28/27/211192827.db2.gz RZUFSLLAKOIUKP-UHFFFAOYSA-N 0 0 348.427 4.415 50 0 EIAARN COc1ccc2cc(CNC(=O)NCc3ccccc3C)ccc2c1 ZINC000010495829 211177999 /nfs/dbraw/zinc/17/79/99/211177999.db2.gz NRLRIYQNTHBJKF-UHFFFAOYSA-N 0 0 334.419 4.156 50 0 EIAARN Cc1cc(C)c(CNC(=O)c2ccc(C(C)C)cc2C(C)C)c(=O)[nH]1 ZINC000010458836 211174255 /nfs/dbraw/zinc/17/42/55/211174255.db2.gz GPCCWXMRZLCQFM-UHFFFAOYSA-N 0 0 340.467 4.169 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000010429476 211171687 /nfs/dbraw/zinc/17/16/87/211171687.db2.gz QXMUUFUIUZWQOA-UHFFFAOYSA-N 0 0 336.435 4.197 50 0 EIAARN CCOc1ccc(CN(CC)C(=O)Nc2ccccc2F)cc1OC ZINC000010405664 211170149 /nfs/dbraw/zinc/17/01/49/211170149.db2.gz WLNBZVAJSCUVHS-UHFFFAOYSA-N 0 0 346.402 4.287 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)NCc3cccs3)cc12 ZINC000010219328 211154128 /nfs/dbraw/zinc/15/41/28/211154128.db2.gz XSIZQRHKATWEHA-UHFFFAOYSA-N 0 0 333.482 4.054 50 0 EIAARN COc1cccc2sc(NC(=O)Cc3ccc(SC)cc3)nc21 ZINC000010252234 211156872 /nfs/dbraw/zinc/15/68/72/211156872.db2.gz YIYJLIOMZFQMPA-UHFFFAOYSA-N 0 0 344.461 4.208 50 0 EIAARN Cc1cc(C)nc(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000010230891 211156046 /nfs/dbraw/zinc/15/60/46/211156046.db2.gz DEHBDTRDICBAGS-SNVBAGLBSA-N 0 0 339.823 4.005 50 0 EIAARN O[C@H](CSc1ncnc2sc3c(c21)CCCC3)c1ccccc1 ZINC000010340026 211167379 /nfs/dbraw/zinc/16/73/79/211167379.db2.gz ZNDKQGSLKIFYKI-CQSZACIVSA-N 0 0 342.489 4.396 50 0 EIAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000010342304 211167448 /nfs/dbraw/zinc/16/74/48/211167448.db2.gz VCHKJJCEBBLDFM-UHFFFAOYSA-N 0 0 345.342 4.003 50 0 EIAARN Cc1cc(C)c(NC(=O)CN2CCc3sccc3C2)c(Cl)c1 ZINC000010341295 211167266 /nfs/dbraw/zinc/16/72/66/211167266.db2.gz QVSWUXGBUHIWFL-UHFFFAOYSA-N 0 0 334.872 4.015 50 0 EIAARN O=C(Nc1ccc(O)c2ccccc12)c1ccc(Cn2cccn2)cc1 ZINC000010321148 211162248 /nfs/dbraw/zinc/16/22/48/211162248.db2.gz ABJUEXPNYBNLJP-UHFFFAOYSA-N 0 0 343.386 4.043 50 0 EIAARN Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000010156531 211151977 /nfs/dbraw/zinc/15/19/77/211151977.db2.gz SIMYCGQLTJFJOA-INIZCTEOSA-N 0 0 329.403 4.441 50 0 EIAARN O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000010155762 211151294 /nfs/dbraw/zinc/15/12/94/211151294.db2.gz BRWCNGSHEYJIFU-HNNXBMFYSA-N 0 0 331.799 4.150 50 0 EIAARN Cc1cccc([C@@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)c1 ZINC000010156559 211151128 /nfs/dbraw/zinc/15/11/28/211151128.db2.gz NSRFEGMCCLXMNN-INIZCTEOSA-N 0 0 329.403 4.441 50 0 EIAARN C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1cccc(Cl)c1 ZINC000010081395 211145774 /nfs/dbraw/zinc/14/57/74/211145774.db2.gz XDGQEFNYKZDLGB-SNVBAGLBSA-N 0 0 348.855 4.241 50 0 EIAARN CCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 ZINC000009907323 211131828 /nfs/dbraw/zinc/13/18/28/211131828.db2.gz KHSBSWHXRNDNTK-UHFFFAOYSA-N 0 0 325.452 4.455 50 0 EIAARN Cc1csc(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)n1 ZINC000009690635 211115592 /nfs/dbraw/zinc/11/55/92/211115592.db2.gz PQWXWBUKHQDFNU-GXTWGEPZSA-N 0 0 334.510 4.070 50 0 EIAARN Cc1nnc2ccc(-c3cccc(NC(=O)CC4CCCCC4)c3)nn12 ZINC000009829197 211126000 /nfs/dbraw/zinc/12/60/00/211126000.db2.gz GMWSTABQKFFXJN-UHFFFAOYSA-N 0 0 349.438 4.009 50 0 EIAARN O=C(CSc1ccc2c(c1)CCC2)Nc1cccc2cccnc21 ZINC000009738907 211121179 /nfs/dbraw/zinc/12/11/79/211121179.db2.gz RMSZDGUXRMDGOC-UHFFFAOYSA-N 0 0 334.444 4.454 50 0 EIAARN CCCC[NH2+]Cc1c(C)n(Cc2cccc(C)c2)c(C)c1C(=O)[O-] ZINC000009746551 211120890 /nfs/dbraw/zinc/12/08/90/211120890.db2.gz UWDUWCFAUPWTIT-UHFFFAOYSA-N 0 0 328.456 4.050 50 0 EIAARN Cc1ccccc1NC(=O)NCc1cccn1Cc1cccc(F)c1 ZINC000009722277 211118131 /nfs/dbraw/zinc/11/81/31/211118131.db2.gz XGGBQCGECBFOON-UHFFFAOYSA-N 0 0 337.398 4.306 50 0 EIAARN Cc1ccc(-c2ccsc2C(=O)Nc2cccc(C(N)=O)c2)cc1 ZINC000009576016 211103784 /nfs/dbraw/zinc/10/37/84/211103784.db2.gz PQEKMOSXMMERQY-UHFFFAOYSA-N 0 0 336.416 4.075 50 0 EIAARN Clc1ccccc1CSc1nnc2n1CCN2c1ccccc1 ZINC000009574080 211103589 /nfs/dbraw/zinc/10/35/89/211103589.db2.gz KFSGMRMRMVEVSQ-UHFFFAOYSA-N 0 0 342.855 4.376 50 0 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CC(=O)Nc1ccc(CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000009112778 211041799 /nfs/dbraw/zinc/04/17/99/211041799.db2.gz URUIMZYNNRKUMM-UHFFFAOYSA-N 0 0 344.414 4.493 50 0 EIAARN CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1C ZINC000009122310 211043540 /nfs/dbraw/zinc/04/35/40/211043540.db2.gz NPDHBSSBYGNHTN-UHFFFAOYSA-N 0 0 348.446 4.397 50 0 EIAARN CCC[C@@H]1C=CCN1C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000095360318 218293637 /nfs/dbraw/zinc/29/36/37/218293637.db2.gz WXFPHDFRBYQGJM-QGZVFWFLSA-N 0 0 343.430 4.478 50 0 EIAARN Cc1ccc(N[C@@H](c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 ZINC000009111318 211039925 /nfs/dbraw/zinc/03/99/25/211039925.db2.gz KIQRBVIWYWDOMD-FQEVSTJZSA-N 0 0 341.414 4.433 50 0 EIAARN O=C(Nc1nnc(SCCCc2ccccc2)s1)c1ccco1 ZINC000009095411 211039350 /nfs/dbraw/zinc/03/93/50/211039350.db2.gz UCUXYCUICWEWLB-UHFFFAOYSA-N 0 0 345.449 4.108 50 0 EIAARN Cc1nc([C@H](C)N(C)C(=O)C2=Cc3ccccc3OC=C2)c(C)s1 ZINC000095361295 218294672 /nfs/dbraw/zinc/29/46/72/218294672.db2.gz MBTTUTKTMBHVBT-LBPRGKRZSA-N 0 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C[C@H](CNC(=O)c1ccc2c(c1)nc1n2CCCCC1)c1ccccc1 ZINC000008611716 210973433 /nfs/dbraw/zinc/97/34/33/210973433.db2.gz QWFAKFIVXIPQQF-MRXNPFEDSA-N 0 0 347.462 4.296 50 0 EIAARN O=C(N[C@H]1CCOC2(CCCCC2)C1)N(Cc1cccs1)C1CC1 ZINC000095427125 218369490 /nfs/dbraw/zinc/36/94/90/218369490.db2.gz MEZISBRAKKIEOF-HNNXBMFYSA-N 0 0 348.512 4.304 50 0 EIAARN Cc1nc2c(s1)[C@@H](N(C)Cc1noc(-c3ccsc3)n1)CCC2 ZINC000095427801 218370327 /nfs/dbraw/zinc/37/03/27/218370327.db2.gz PGWIRNZAFOQBQF-ZDUSSCGKSA-N 0 0 346.481 4.072 50 0 EIAARN C[C@H](c1ccc(Cl)cc1)[S@@](=O)Cc1noc(-c2ccccc2)n1 ZINC000095428095 218370359 /nfs/dbraw/zinc/37/03/59/218370359.db2.gz NUANBCPFAZCTBF-SFDCACGMSA-N 0 0 346.839 4.400 50 0 EIAARN Cc1nnc([C@H](N[C@@H]2CCSc3ccccc32)c2ccccc2)[nH]1 ZINC000095421722 218364013 /nfs/dbraw/zinc/36/40/13/218364013.db2.gz YAKJTIOGGFUHPK-SJLPKXTDSA-N 0 0 336.464 4.029 50 0 EIAARN CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1csc(CC)n1)CCO2 ZINC000095422313 218365377 /nfs/dbraw/zinc/36/53/77/218365377.db2.gz VFAPVHSTEIGESD-DOMZBBRYSA-N 0 0 332.469 4.279 50 0 EIAARN Cc1nc(NC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)oc1C ZINC000095428467 218370782 /nfs/dbraw/zinc/37/07/82/218370782.db2.gz YMKPVIMJGRSGLI-VQIMIIECSA-N 0 0 325.412 4.225 50 0 EIAARN C[S@](=O)c1ccc(NCc2cc(Cl)cc3cccnc32)cc1 ZINC000095428776 218370916 /nfs/dbraw/zinc/37/09/16/218370916.db2.gz OIAQPZMTQDSWAP-JOCHJYFZSA-N 0 0 330.840 4.238 50 0 EIAARN Clc1cc2cccnc2c(CNc2cccc(-n3cnnc3)c2)c1 ZINC000095428719 218371180 /nfs/dbraw/zinc/37/11/80/218371180.db2.gz HSDHIPJNLNBTOO-UHFFFAOYSA-N 0 0 335.798 4.081 50 0 EIAARN C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1nccs1 ZINC000008391719 210946358 /nfs/dbraw/zinc/94/63/58/210946358.db2.gz CRHWHLKHKHFLMO-MRVPVSSYSA-N 0 0 343.271 4.025 50 0 EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC2)c(C)c1 ZINC000008343862 210940651 /nfs/dbraw/zinc/94/06/51/210940651.db2.gz FIWNEDVZABOEOB-UHFFFAOYSA-N 0 0 331.419 4.002 50 0 EIAARN O=C(NCc1ccccc1F)c1csc(-c2ccc(F)cc2)n1 ZINC000008331313 210937343 /nfs/dbraw/zinc/93/73/43/210937343.db2.gz AXKZIDIJAZPVFW-UHFFFAOYSA-N 0 0 330.359 4.018 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000008324898 210935229 /nfs/dbraw/zinc/93/52/29/210935229.db2.gz ZEBXFXTURDPIGR-UHFFFAOYSA-N 0 0 336.435 4.129 50 0 EIAARN COc1ccc(CN(C)c2ccccc2)cc1OCc1cccnc1 ZINC000095456990 218399342 /nfs/dbraw/zinc/39/93/42/218399342.db2.gz JLZPJEKVIMNELP-UHFFFAOYSA-N 0 0 334.419 4.306 50 0 EIAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008270672 210924673 /nfs/dbraw/zinc/92/46/73/210924673.db2.gz QBSFDQSMAWMRDB-KRWDZBQOSA-N 0 0 338.407 4.135 50 0 EIAARN Cc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)oc1C ZINC000008299289 210928016 /nfs/dbraw/zinc/92/80/16/210928016.db2.gz JNDCIYMHGNSNRD-UHFFFAOYSA-N 0 0 330.331 4.041 50 0 EIAARN Cc1cccc(OCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000008291159 210927697 /nfs/dbraw/zinc/92/76/97/210927697.db2.gz NZVXBPSNUKARPZ-AWEZNQCLSA-N 0 0 340.448 4.203 50 0 EIAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 ZINC000008185274 210907637 /nfs/dbraw/zinc/90/76/37/210907637.db2.gz XVRCHERPPKSBOH-UHFFFAOYSA-N 0 0 341.407 4.493 50 0 EIAARN COc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000007944504 210868498 /nfs/dbraw/zinc/86/84/98/210868498.db2.gz IXKATSAWCWCKKR-UHFFFAOYSA-N 0 0 333.387 4.450 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000007945878 210867587 /nfs/dbraw/zinc/86/75/87/210867587.db2.gz SHVBMZBHSXMUNE-UHFFFAOYSA-N 0 0 333.863 4.381 50 0 EIAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2)cc1 ZINC000007883882 210860364 /nfs/dbraw/zinc/86/03/64/210860364.db2.gz XMAWHXOTXOUJSL-HXUWFJFHSA-N 0 0 346.386 4.172 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(Cl)c1 ZINC000007775687 210844943 /nfs/dbraw/zinc/84/49/43/210844943.db2.gz SHQFYJJPSDRIAR-GFCCVEGCSA-N 0 0 325.799 4.221 50 0 EIAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000007684296 210832398 /nfs/dbraw/zinc/83/23/98/210832398.db2.gz IBKMJHOIBCZCFT-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN C[C@@H](Nc1ccc(NC(=O)NC2CC2)cc1)c1nc2ccccc2o1 ZINC000095993806 218499273 /nfs/dbraw/zinc/49/92/73/218499273.db2.gz HWYYHOCLZNHQGK-GFCCVEGCSA-N 0 0 336.395 4.285 50 0 EIAARN COc1ccccc1C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007737496 210841410 /nfs/dbraw/zinc/84/14/10/210841410.db2.gz AIFJIKQLSKOJOS-SFHVURJKSA-N 0 0 341.407 4.415 50 0 EIAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000007726018 210838200 /nfs/dbraw/zinc/83/82/00/210838200.db2.gz ZRLJSJYUIVLKGU-UHFFFAOYSA-N 0 0 344.798 4.167 50 0 EIAARN CC(=O)N[C@H](C)CCc1ccc(-c2csc(NC(C)C)n2)cc1 ZINC000007643796 210824209 /nfs/dbraw/zinc/82/42/09/210824209.db2.gz BVVBOZQCUXBYDP-CYBMUJFWSA-N 0 0 331.485 4.088 50 0 EIAARN O=C(c1ccccc1Sc1ccccc1)N1CCc2cnccc21 ZINC000096008880 218510829 /nfs/dbraw/zinc/51/08/29/218510829.db2.gz AHATXVRRQNARQA-UHFFFAOYSA-N 0 0 332.428 4.436 50 0 EIAARN C[C@@H](NC(=O)CN1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000007600819 210818984 /nfs/dbraw/zinc/81/89/84/210818984.db2.gz ZMYQMDBELOOCQO-MRXNPFEDSA-N 0 0 330.431 4.080 50 0 EIAARN Cc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)c(C)c1 ZINC000007595990 210818131 /nfs/dbraw/zinc/81/81/31/210818131.db2.gz FXWBELIAGYAENG-UHFFFAOYSA-N 0 0 342.801 4.368 50 0 EIAARN O=C(NCCOc1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000007594744 210817774 /nfs/dbraw/zinc/81/77/74/210817774.db2.gz YAXRGFPOWDLYPG-UHFFFAOYSA-N 0 0 345.398 4.119 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000007269223 210776735 /nfs/dbraw/zinc/77/67/35/210776735.db2.gz GNCDALBFOQIXCD-WMLDXEAASA-N 0 0 327.449 4.116 50 0 EIAARN C[C@@H](NC(=O)c1cc2c(nc3sccn32)s1)c1cccs1 ZINC000007138997 210761963 /nfs/dbraw/zinc/76/19/63/210761963.db2.gz FMDSSIDPMOLGOP-MRVPVSSYSA-N 0 0 333.463 4.163 50 0 EIAARN CCN(C(=O)CSc1nc2ccccc2o1)c1ccc(F)cc1 ZINC000007123195 210760547 /nfs/dbraw/zinc/76/05/47/210760547.db2.gz AXPJKLRXNJVFLR-UHFFFAOYSA-N 0 0 330.384 4.112 50 0 EIAARN CC1=C(C(=O)Nc2ccc(C)c(C)c2)C2(CCCCCC2)OC1=O ZINC000006933257 210746295 /nfs/dbraw/zinc/74/62/95/210746295.db2.gz HTVVQAPUWGNILV-UHFFFAOYSA-N 0 0 327.424 4.208 50 0 biogenic EIAARN COC(=O)c1cc(C)sc1NC(=S)Nc1ccc(Cl)cc1 ZINC000006825618 210723497 /nfs/dbraw/zinc/72/34/97/210723497.db2.gz NJZVZVBRVCIWAW-UHFFFAOYSA-N 0 0 340.857 4.305 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(Cl)c2C)n(-c2ccccc2)n1 ZINC000006772286 210707733 /nfs/dbraw/zinc/70/77/33/210707733.db2.gz LHVKEGGLFGHXPH-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4ccncc4)nc3c12 ZINC000006760567 210705435 /nfs/dbraw/zinc/70/54/35/210705435.db2.gz VSPBBUCOJJZVKM-UHFFFAOYSA-N 0 0 346.438 4.263 50 0 EIAARN CCOCCCNC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000006752001 210701955 /nfs/dbraw/zinc/70/19/55/210701955.db2.gz NVLIRBMRHWBBAB-UHFFFAOYSA-N 0 0 333.478 4.177 50 0 EIAARN O=C(NCCNc1cccnc1)Nc1ccc(C2CCCCC2)cc1 ZINC000096152715 218629179 /nfs/dbraw/zinc/62/91/79/218629179.db2.gz SWZQZBKZDRWKLE-UHFFFAOYSA-N 0 0 338.455 4.363 50 0 EIAARN CC(C)CC(=O)Nc1nnc(SCc2ccc(F)cc2F)s1 ZINC000006740331 210695983 /nfs/dbraw/zinc/69/59/83/210695983.db2.gz REPUETGDKSOCHP-UHFFFAOYSA-N 0 0 343.424 4.093 50 0 EIAARN CCCn1c(CCC(=O)Nc2cc(C)ccc2C)nc2cccnc21 ZINC000006737571 210695296 /nfs/dbraw/zinc/69/52/96/210695296.db2.gz JVIONNXMIIBSSZ-UHFFFAOYSA-N 0 0 336.439 4.029 50 0 EIAARN O=C(N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1ccccn1 ZINC000006733409 210694860 /nfs/dbraw/zinc/69/48/60/210694860.db2.gz WJQBOBGVBBZLJU-OAHLLOKOSA-N 0 0 325.799 4.024 50 0 EIAARN COc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000006729008 210692836 /nfs/dbraw/zinc/69/28/36/210692836.db2.gz MMVHMJSOTBUWQW-UHFFFAOYSA-N 0 0 327.277 4.034 50 0 EIAARN C[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 ZINC000006703270 210686170 /nfs/dbraw/zinc/68/61/70/210686170.db2.gz SXMMEOVYOLWFFJ-CQSZACIVSA-N 0 0 334.375 4.023 50 0 EIAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)on1 ZINC000006578574 210657527 /nfs/dbraw/zinc/65/75/27/210657527.db2.gz MMFHDYOFVMIVQC-UHFFFAOYSA-N 0 0 328.290 4.043 50 0 EIAARN O=C(Nc1ccccc1C(=O)N1CCc2ccccc21)c1cccs1 ZINC000006341761 210621792 /nfs/dbraw/zinc/62/17/92/210621792.db2.gz CHMYHWVBCRDYGW-UHFFFAOYSA-N 0 0 348.427 4.203 50 0 EIAARN O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(F)c(F)c1 ZINC000006377666 210625111 /nfs/dbraw/zinc/62/51/11/210625111.db2.gz DYMRUEMFDUHATG-FPYGCLRLSA-N 0 0 325.261 4.218 50 0 EIAARN COc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)cc1 ZINC000006254932 210607002 /nfs/dbraw/zinc/60/70/02/210607002.db2.gz WMJKLWRAGIJSHU-UHFFFAOYSA-N 0 0 347.436 4.191 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(OC)c1 ZINC000006170270 210595701 /nfs/dbraw/zinc/59/57/01/210595701.db2.gz DIAIWPBHGVUOMU-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN Cc1ccccc1-c1noc(CSc2ncnc3sccc32)n1 ZINC000006115363 210591741 /nfs/dbraw/zinc/59/17/41/210591741.db2.gz JZYACGWMNKLARU-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN CC(C)c1noc(-c2ccccc2NC(=O)c2ccc(F)cc2)n1 ZINC000096346526 218745740 /nfs/dbraw/zinc/74/57/40/218745740.db2.gz FBVWLFCSLSSKGJ-UHFFFAOYSA-N 0 0 325.343 4.251 50 0 EIAARN O=C(/C=C\c1cccc2cccnc12)NC[C@@H]1CCCc2ccccc21 ZINC000096401504 218750400 /nfs/dbraw/zinc/75/04/00/218750400.db2.gz GTJLONVLCIEGTK-ODLZTCLXSA-N 0 0 342.442 4.484 50 0 EIAARN COc1cc2c(cc1N[C@@H](C)C(=O)N1CCCC1)oc1ccccc12 ZINC000005939036 210563731 /nfs/dbraw/zinc/56/37/31/210563731.db2.gz DYVAWLHOKYLMAL-ZDUSSCGKSA-N 0 0 338.407 4.017 50 0 EIAARN COc1ccc2nc3c(c(NC(=O)c4ccccc4)c2c1)CCCC3 ZINC000005930551 210561078 /nfs/dbraw/zinc/56/10/78/210561078.db2.gz UBHMVMOPAHFWIL-UHFFFAOYSA-N 0 0 332.403 4.375 50 0 EIAARN C[S@](=O)c1cccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000096413415 218770293 /nfs/dbraw/zinc/77/02/93/218770293.db2.gz NMSCTQDTHASPSK-VOIUYBSRSA-N 0 0 346.452 4.166 50 0 EIAARN CC(C)n1nccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000005870241 210550932 /nfs/dbraw/zinc/55/09/32/210550932.db2.gz GACNZOUIPUBLRY-JTQLQIEISA-N 0 0 342.226 4.177 50 0 EIAARN C[C@H](Sc1ccc2ccccc2n1)c1nc2ccccc2c(=O)[nH]1 ZINC000005627606 210504031 /nfs/dbraw/zinc/50/40/31/210504031.db2.gz MDESDGVKKSZFDC-LBPRGKRZSA-N 0 0 333.416 4.325 50 0 EIAARN Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1F)C1CCC1 ZINC000096467168 218846368 /nfs/dbraw/zinc/84/63/68/218846368.db2.gz LGOIFXSDZHOEBJ-GFCCVEGCSA-N 0 0 345.418 4.256 50 0 EIAARN C[C@@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1ccncc1 ZINC000096466964 218846774 /nfs/dbraw/zinc/84/67/74/218846774.db2.gz DYVOLKWLEFEFHT-CQSZACIVSA-N 0 0 327.403 4.046 50 0 EIAARN Cc1ncsc1-c1nc(CSc2ccnc3ccccc32)no1 ZINC000096471980 218850177 /nfs/dbraw/zinc/85/01/77/218850177.db2.gz JXPIWEOTDVBKOU-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000005541089 210485021 /nfs/dbraw/zinc/48/50/21/210485021.db2.gz WAXMXLISKVNLIA-GFCCVEGCSA-N 0 0 346.814 4.013 50 0 EIAARN O=C(Nc1cccc(OCc2nnc(C3CCC3)o2)c1)c1ccccc1 ZINC000096480919 218857544 /nfs/dbraw/zinc/85/75/44/218857544.db2.gz ULWOPDDZOJSMFV-UHFFFAOYSA-N 0 0 349.390 4.168 50 0 EIAARN Cc1cccc(-c2noc(-c3ccccc3C(=O)N3CCCCC3)n2)c1 ZINC000005518194 210480696 /nfs/dbraw/zinc/48/06/96/210480696.db2.gz SNBLDDAAJGTHFG-UHFFFAOYSA-N 0 0 347.418 4.338 50 0 EIAARN CCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CC)C2 ZINC000005476975 210471708 /nfs/dbraw/zinc/47/17/08/210471708.db2.gz YNQXUBMJZANRIO-JTQLQIEISA-N 0 0 325.430 4.008 50 0 EIAARN CN1C(=O)/C(=C\c2cc(Br)ccc2F)c2ccccc21 ZINC000005155691 210402396 /nfs/dbraw/zinc/40/23/96/210402396.db2.gz UTRSXWSXZNOBGY-LCYFTJDESA-N 0 0 332.172 4.105 50 0 EIAARN Cc1ccc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000005146257 210399915 /nfs/dbraw/zinc/39/99/15/210399915.db2.gz QJJKZIURENJXHP-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN CC(C)c1cc(C(=O)OCC(=O)c2ccc[nH]2)c(O)c(C(C)C)c1 ZINC000005102430 210389878 /nfs/dbraw/zinc/38/98/78/210389878.db2.gz DZPUIJGAJZOCQY-UHFFFAOYSA-N 0 0 329.396 4.007 50 0 EIAARN Cc1csc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)cn12 ZINC000005083744 210387260 /nfs/dbraw/zinc/38/72/60/210387260.db2.gz HHGDVIXJKWEUSY-UHFFFAOYSA-N 0 0 325.437 4.500 50 0 EIAARN CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1C ZINC000005135223 210397588 /nfs/dbraw/zinc/39/75/88/210397588.db2.gz VJLRLPUZYDVCND-UHFFFAOYSA-N 0 0 348.402 4.253 50 0 aggregator EIAARN CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000005055394 210377533 /nfs/dbraw/zinc/37/75/33/210377533.db2.gz YLTYCWUXDOQHHB-FCHUYYIVSA-N 0 0 346.474 4.409 50 0 EIAARN Clc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1 ZINC000005051382 210376300 /nfs/dbraw/zinc/37/63/00/210376300.db2.gz WHKWRDQKKUPBMN-UHFFFAOYSA-N 0 0 335.798 4.057 50 0 EIAARN CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(C)cc1 ZINC000005053711 210375702 /nfs/dbraw/zinc/37/57/02/210375702.db2.gz MZUXYDJXDUSVQG-UHFFFAOYSA-N 0 0 348.446 4.197 50 0 EIAARN CCOC(=O)c1cc(NC(=O)CSc2ccccc2)ccc1Cl ZINC000005041896 210373683 /nfs/dbraw/zinc/37/36/83/210373683.db2.gz CSBYKYOPGDBWDC-UHFFFAOYSA-N 0 0 349.839 4.248 50 0 EIAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(C)=O)cc1 ZINC000005035518 210370629 /nfs/dbraw/zinc/37/06/29/210370629.db2.gz DOGQJOYMCBAHQM-UHFFFAOYSA-N 0 0 338.363 4.042 50 0 EIAARN COc1cccc(NC(=O)c2ccc(COc3cccc(C)c3)o2)c1 ZINC000005032873 210368842 /nfs/dbraw/zinc/36/88/42/210368842.db2.gz YHNRQIVCLCYKMN-UHFFFAOYSA-N 0 0 337.375 4.428 50 0 EIAARN CCCCN(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000005026038 210365771 /nfs/dbraw/zinc/36/57/71/210365771.db2.gz JMRPXKKYNKAQDD-UHFFFAOYSA-N 0 0 341.842 4.275 50 0 EIAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c(C)c1 ZINC000004960575 210340323 /nfs/dbraw/zinc/34/03/23/210340323.db2.gz UYNNAPXGNNTKLS-IBGZPJMESA-N 0 0 333.391 4.058 50 0 EIAARN CCn1c(/C=C/c2c(O)ccc3ccccc32)nc2ccccc2c1=O ZINC000004954521 210338792 /nfs/dbraw/zinc/33/87/92/210338792.db2.gz BBEUNCCALIWBDZ-WYMLVPIESA-N 0 0 342.398 4.446 50 0 EIAARN Cc1ccsc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000004947917 210336559 /nfs/dbraw/zinc/33/65/59/210336559.db2.gz AIEJHOKPOVBUOQ-BPLDGKMQSA-N 0 0 338.469 4.217 50 0 EIAARN CC[C@H](Oc1ccccc1)c1nn2c(nnc2-c2cccs2)s1 ZINC000004939249 210330131 /nfs/dbraw/zinc/33/01/31/210330131.db2.gz VWSCVWSURWOTQE-LBPRGKRZSA-N 0 0 342.449 4.444 50 0 EIAARN Cc1occc1-c1nnc2sc(Cc3cccc4ccccc43)nn21 ZINC000004938961 210329620 /nfs/dbraw/zinc/32/96/20/210329620.db2.gz VGPRMUKLECRJES-UHFFFAOYSA-N 0 0 346.415 4.498 50 0 EIAARN CC[C@H](c1nn2c(nnc2-c2cccs2)s1)c1ccccc1 ZINC000004939192 210329177 /nfs/dbraw/zinc/32/91/77/210329177.db2.gz ODFXNYIMNBBYHF-LBPRGKRZSA-N 0 0 326.450 4.456 50 0 EIAARN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)NC3=O)cc1 ZINC000004929038 210328084 /nfs/dbraw/zinc/32/80/84/210328084.db2.gz GKTCFXZLMMYQMI-SFHVURJKSA-N 0 0 331.419 4.341 50 0 EIAARN O=C(Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccco1 ZINC000000037073 208554247 /nfs/dbraw/zinc/55/42/47/208554247.db2.gz LKPVNWGKMFKOPH-UHFFFAOYSA-N 0 0 349.321 4.388 50 0 EIAARN Cc1cccc(OCCSc2n[nH]c(-c3ccccc3F)n2)c1 ZINC000004877871 210310452 /nfs/dbraw/zinc/31/04/52/210310452.db2.gz GCIUVYXTCPKIRC-UHFFFAOYSA-N 0 0 329.400 4.090 50 0 EIAARN CCOc1ccccc1N[C@H]1c2ccccc2C(=O)N1Cc1ccco1 ZINC000004914565 210321964 /nfs/dbraw/zinc/32/19/64/210321964.db2.gz TZKNJFPPPUUFLR-HXUWFJFHSA-N 0 0 348.402 4.445 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000007006903 208570964 /nfs/dbraw/zinc/57/09/64/208570964.db2.gz FYFAGWQDVLVJAZ-UHFFFAOYSA-N 0 0 344.263 4.123 50 0 EIAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004911265 210320793 /nfs/dbraw/zinc/32/07/93/210320793.db2.gz CNFQYFODRVTGCX-SFHVURJKSA-N 0 0 347.462 4.005 50 0 EIAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccncc2)N3)C1 ZINC000004913741 210320902 /nfs/dbraw/zinc/32/09/02/210320902.db2.gz ISIBJCIQXCPWSD-LRDDRELGSA-N 0 0 341.480 4.148 50 0 EIAARN CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccco1)C2 ZINC000004912047 210320480 /nfs/dbraw/zinc/32/04/80/210320480.db2.gz NDCBMQWFBWYBLK-ZDUSSCGKSA-N 0 0 329.396 4.176 50 0 aggregator EIAARN Cc1ccnc(N2C(=O)c3ccccc3[C@@H]2Nc2ccccc2C)c1 ZINC000004900149 210315643 /nfs/dbraw/zinc/31/56/43/210315643.db2.gz XWNKZVSGZFWTIH-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN O=C(CCCCC(=O)NC1CCCCCC1)NC1CCCCCC1 ZINC000004893867 210314061 /nfs/dbraw/zinc/31/40/61/210314061.db2.gz XHBOTWXTBILJDH-UHFFFAOYSA-N 0 0 336.520 4.225 50 0 EIAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(C)cc3)=NC2(C)C)cc1 ZINC000004891669 210313000 /nfs/dbraw/zinc/31/30/00/210313000.db2.gz WVFSVJFSOYKATQ-UHFFFAOYSA-N 0 0 336.460 4.312 50 0 EIAARN O=C(c1ccccc1)N1C(=S)C(c2ccccc2)=NC12CCCC2 ZINC000004891811 210312808 /nfs/dbraw/zinc/31/28/08/210312808.db2.gz ZCTGNMCCXLYYCL-UHFFFAOYSA-N 0 0 334.444 4.229 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000004858560 210302919 /nfs/dbraw/zinc/30/29/19/210302919.db2.gz KQNBDNTYOFOSOB-UHFFFAOYSA-N 0 0 348.855 4.170 50 0 EIAARN C[C@@H]1CCC[C@@H](N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)[C@@H]1C ZINC000004852018 210301141 /nfs/dbraw/zinc/30/11/41/210301141.db2.gz LXKVABORPCYYLX-SNUQEOBHSA-N 0 0 333.431 4.359 50 0 EIAARN Cc1cccc(-c2noc(CN(C(=O)c3ccccc3C)C(C)C)n2)c1 ZINC000004843334 210297034 /nfs/dbraw/zinc/29/70/34/210297034.db2.gz XRMWVVYASANDFI-UHFFFAOYSA-N 0 0 349.434 4.404 50 0 EIAARN CC(=O)Nc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000004841549 210296711 /nfs/dbraw/zinc/29/67/11/210296711.db2.gz OWIXZFANNSTTHA-LBPRGKRZSA-N 0 0 346.814 4.013 50 0 EIAARN Cc1cc(Cl)cc(Br)c1OCCCCn1ccnc1 ZINC000004841113 210295150 /nfs/dbraw/zinc/29/51/50/210295150.db2.gz RWCHRHXWHAEJEL-UHFFFAOYSA-N 0 0 343.652 4.467 50 0 EIAARN Cc1ccc(CN(C(=O)c2ccc(N(C)C)nc2)C2CCCC2)s1 ZINC000097370320 219015756 /nfs/dbraw/zinc/01/57/56/219015756.db2.gz SIJPYMDEAPOXRA-UHFFFAOYSA-N 0 0 343.496 4.103 50 0 EIAARN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000004840138 210294369 /nfs/dbraw/zinc/29/43/69/210294369.db2.gz DDUQRBXGZUDEKI-UHFFFAOYSA-N 0 0 330.815 4.074 50 0 EIAARN CC(C)C[C@H](NC1=[NH+]C(C)(C)Cc2c3ccccc3ccc21)C(=O)[O-] ZINC000004837751 210293429 /nfs/dbraw/zinc/29/34/29/210293429.db2.gz IGNOZCFUWMJJSJ-SFHVURJKSA-N 0 0 338.451 4.010 50 0 EIAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCCCCC1 ZINC000004834327 210292311 /nfs/dbraw/zinc/29/23/11/210292311.db2.gz MWCQNHXYAGLTAV-UHFFFAOYSA-N 0 0 336.646 4.428 50 0 EIAARN COc1ccc(-c2noc(COc3ccc4c(c3)CCCC4)n2)cc1 ZINC000004808516 210281750 /nfs/dbraw/zinc/28/17/50/210281750.db2.gz UBNDYFJSCRUKHM-UHFFFAOYSA-N 0 0 336.391 4.203 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)Oc2cccc3ccc(C)nc32)c(C)c1 ZINC000004797739 210280514 /nfs/dbraw/zinc/28/05/14/210280514.db2.gz XEIYIGXRNSZMEV-UHFFFAOYSA-N 0 0 341.432 4.236 50 0 EIAARN O=C(OCCOc1ccccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000097496413 219030539 /nfs/dbraw/zinc/03/05/39/219030539.db2.gz WPHDVBLOLCBWEU-RYUDHWBXSA-N 0 0 334.309 4.116 50 0 EIAARN COc1ccc2cc(C(=O)N3CCC[C@@H]3c3ccccc3C)n(C)c2c1 ZINC000097505637 219031854 /nfs/dbraw/zinc/03/18/54/219031854.db2.gz CXQGSTCPBPAMEO-LJQANCHMSA-N 0 0 348.446 4.473 50 0 EIAARN CCc1cccc2c(C(C)=O)cn(CC(=O)Nc3cccc(C)c3)c21 ZINC000004757822 210271915 /nfs/dbraw/zinc/27/19/15/210271915.db2.gz JNTRCQMAIOQTKI-UHFFFAOYSA-N 0 0 334.419 4.353 50 0 EIAARN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCc2ccccc21 ZINC000154697659 224291178 /nfs/dbraw/zinc/29/11/78/224291178.db2.gz OOODOCBECFLOTC-UHFFFAOYSA-N 0 0 337.810 4.037 50 0 EIAARN CCc1ccc(Cn2nccc2NC(=O)c2ccc(C)c(F)c2)cc1 ZINC000021599871 257835740 /nfs/dbraw/zinc/83/57/40/257835740.db2.gz LIUOPGGQJJFTFQ-UHFFFAOYSA-N 0 0 337.398 4.194 50 0 EIAARN O=C(NCc1ccc(O)cc1)N(CCc1ccccc1)C1CCCC1 ZINC000124876190 257950329 /nfs/dbraw/zinc/95/03/29/257950329.db2.gz SREROCDDBWBVSB-UHFFFAOYSA-N 0 0 338.451 4.089 50 0 EIAARN C[C@@H](Sc1nc2ccsc2c(=O)n1C)c1ncc(C(C)(C)C)o1 ZINC000177224992 257953941 /nfs/dbraw/zinc/95/39/41/257953941.db2.gz XAEHIQXSIPTMQU-SECBINFHSA-N 0 0 349.481 4.134 50 0 EIAARN Cc1nc(CCCC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cs1 ZINC000176670804 257954467 /nfs/dbraw/zinc/95/44/67/257954467.db2.gz YIYXAJRUFZPUPJ-MRXNPFEDSA-N 0 0 346.471 4.005 50 0 EIAARN O=C(c1ccc(Cl)s1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000176224162 257954915 /nfs/dbraw/zinc/95/49/15/257954915.db2.gz BDBDIFWJGBUZGN-WDEREUQCSA-N 0 0 341.885 4.191 50 0 EIAARN Cc1nc(-c2ccccc2)ncc1C(=O)N(CC(F)(F)F)C1CCC1 ZINC000150689690 257956587 /nfs/dbraw/zinc/95/65/87/257956587.db2.gz MILUZHQULVELOB-UHFFFAOYSA-N 0 0 349.356 4.009 50 0 EIAARN Cc1cc(C)c(-c2ccc(C(=O)N3CCSCC3)cc2)cc1C ZINC000426689318 257958832 /nfs/dbraw/zinc/95/88/32/257958832.db2.gz UKBRYHPLAMKQAD-UHFFFAOYSA-N 0 0 325.477 4.468 50 0 EIAARN CCN(C[C@@H]1CCCCO1)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000426574754 257962878 /nfs/dbraw/zinc/96/28/78/257962878.db2.gz OIKTXXQLNMFUJO-ZDUSSCGKSA-N 0 0 345.270 4.094 50 0 EIAARN Cc1ncc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)s1 ZINC000372545571 257930352 /nfs/dbraw/zinc/93/03/52/257930352.db2.gz MXIDIGRSKIEFJT-UHFFFAOYSA-N 0 0 341.411 4.001 50 0 EIAARN O=C(c1cccs1)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000371426484 257930563 /nfs/dbraw/zinc/93/05/63/257930563.db2.gz XROLYWDDEHITGE-GFCCVEGCSA-N 0 0 340.370 4.225 50 0 EIAARN CC(C)n1cc2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2n1 ZINC000356871329 257930631 /nfs/dbraw/zinc/93/06/31/257930631.db2.gz USHZLBDFVLGYAL-UHFFFAOYSA-N 0 0 348.328 4.283 50 0 EIAARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000000129752 258047723 /nfs/dbraw/zinc/04/77/23/258047723.db2.gz AUCWPLDCUAFMOQ-ZDUSSCGKSA-N 0 0 331.799 4.257 50 0 EIAARN Cc1cccc(NCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 ZINC000001188507 258013497 /nfs/dbraw/zinc/01/34/97/258013497.db2.gz PYXWHBQVQXBCEU-YBEGLDIGSA-N 0 0 342.395 4.240 50 0 EIAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000334162329 258016070 /nfs/dbraw/zinc/01/60/70/258016070.db2.gz MLKRJBXJLPRPMW-INIZCTEOSA-N 0 0 339.370 4.003 50 0 EIAARN CC[C@H](NC(=O)CSCc1ccccc1C)c1cc(C)ccn1 ZINC000299772257 258084385 /nfs/dbraw/zinc/08/43/85/258084385.db2.gz UIGSFUIMZBOUKS-KRWDZBQOSA-N 0 0 328.481 4.199 50 0 EIAARN O=C([C@H]1CCCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000299785130 258092559 /nfs/dbraw/zinc/09/25/59/258092559.db2.gz JCTASYFEANJUSK-OAQYLSRUSA-N 0 0 349.474 4.164 50 0 EIAARN CC[C@@H](NC(=O)c1ccc(N2CCCC2)cc1)c1nc(C)c(C)s1 ZINC000299786603 258093494 /nfs/dbraw/zinc/09/34/94/258093494.db2.gz WMCFOWAKWCOXPT-QGZVFWFLSA-N 0 0 343.496 4.241 50 0 EIAARN CC[C@H](NC(=O)c1ccc(N2CCCC2)cc1)c1nc(C)c(C)s1 ZINC000299786602 258093496 /nfs/dbraw/zinc/09/34/96/258093496.db2.gz WMCFOWAKWCOXPT-KRWDZBQOSA-N 0 0 343.496 4.241 50 0 EIAARN O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000465386 258048425 /nfs/dbraw/zinc/04/84/25/258048425.db2.gz OYCALXJOVMZJNH-NXEZZACHSA-N 0 0 330.598 4.016 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)n1 ZINC000001386131 258049064 /nfs/dbraw/zinc/04/90/64/258049064.db2.gz HCNSDEYCZYKWSI-UHFFFAOYSA-N 0 0 349.761 4.203 50 0 EIAARN CCN(CCOC(=O)Nc1ccc(SC)cc1)c1ccccc1 ZINC000002172885 258049338 /nfs/dbraw/zinc/04/93/38/258049338.db2.gz UJWPHFHQYICNSW-UHFFFAOYSA-N 0 0 330.453 4.484 50 0 EIAARN CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cccc(C)c1 ZINC000004935817 258051432 /nfs/dbraw/zinc/05/14/32/258051432.db2.gz QRRLQGBCAQSAQS-UHFFFAOYSA-N 0 0 334.419 4.170 50 0 EIAARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000005103186 258051479 /nfs/dbraw/zinc/05/14/79/258051479.db2.gz OOOJRBBIACIAGS-UHFFFAOYSA-N 0 0 347.361 4.058 50 0 EIAARN O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000006063928 258051746 /nfs/dbraw/zinc/05/17/46/258051746.db2.gz FSVHGJIXZQCIBV-UHFFFAOYSA-N 0 0 332.827 4.282 50 0 EIAARN CC[C@@H](C)n1c(SCc2ccccn2)nc2ccccc2c1=O ZINC000012534704 258054441 /nfs/dbraw/zinc/05/44/41/258054441.db2.gz BTDCVOPXVGDSSG-CYBMUJFWSA-N 0 0 325.437 4.055 50 0 EIAARN COc1cccc(Nc2nnc(SCCc3ccccn3)s2)c1 ZINC000012534465 258054557 /nfs/dbraw/zinc/05/45/57/258054557.db2.gz MRDRGTXDMOIKSG-UHFFFAOYSA-N 0 0 344.465 4.020 50 0 EIAARN CSc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000012536245 258054573 /nfs/dbraw/zinc/05/45/73/258054573.db2.gz RTXCQJJKUDONHJ-UHFFFAOYSA-N 0 0 347.383 4.228 50 0 EIAARN O=c1c2ccccc2[nH]c(=S)n1-c1cccc(OC2CCCC2)c1 ZINC000012536890 258055133 /nfs/dbraw/zinc/05/51/33/258055133.db2.gz JSGBIMXPXWSHMC-UHFFFAOYSA-N 0 0 338.432 4.370 50 0 EIAARN COc1ccccc1NC(=O)c1c(C)c2cc(Cl)ccc2n1C ZINC000012652656 258055145 /nfs/dbraw/zinc/05/51/45/258055145.db2.gz CLJVSUYQGZGAJW-UHFFFAOYSA-N 0 0 328.799 4.401 50 0 EIAARN Cc1cc(C)cc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c1 ZINC000012875417 258055692 /nfs/dbraw/zinc/05/56/92/258055692.db2.gz RPCPROBSGWBYLN-CYBMUJFWSA-N 0 0 341.382 4.150 50 0 EIAARN CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccsc3)C2)cc1 ZINC000013594568 258056259 /nfs/dbraw/zinc/05/62/59/258056259.db2.gz NTJAQIVRFUGDAI-AWEZNQCLSA-N 0 0 345.489 4.205 50 0 EIAARN Cc1cc(C)n(-c2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn32)n1 ZINC000040216905 258059687 /nfs/dbraw/zinc/05/96/87/258059687.db2.gz MPWDEJWCXFOFBY-UHFFFAOYSA-N 0 0 331.423 4.124 50 0 EIAARN CC[C@H](NC(=O)CCn1c(C)cc2ccccc21)c1cc(C)ccn1 ZINC000055061094 258061166 /nfs/dbraw/zinc/06/11/66/258061166.db2.gz QUWWOZDXSLAQTP-SFHVURJKSA-N 0 0 335.451 4.311 50 0 EIAARN CCCNC(=O)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057857 258062155 /nfs/dbraw/zinc/06/21/55/258062155.db2.gz DTZJQVKTHAGGQS-UHFFFAOYSA-N 0 0 333.391 4.076 50 0 EIAARN COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000064579780 258062425 /nfs/dbraw/zinc/06/24/25/258062425.db2.gz AEDXBLJFULBXIT-OAHLLOKOSA-N 0 0 345.826 4.335 50 0 EIAARN CC(C)(C)NC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578529 258062521 /nfs/dbraw/zinc/06/25/21/258062521.db2.gz PAFCRBJFWFIEOK-UHFFFAOYSA-N 0 0 347.418 4.464 50 0 EIAARN Cc1c(NC(=O)c2cccc(Oc3ccncc3)c2)n[nH]c1C1CC1 ZINC000071903055 258064148 /nfs/dbraw/zinc/06/41/48/258064148.db2.gz SUVHVAHLUXBBQC-UHFFFAOYSA-N 0 0 334.379 4.035 50 0 EIAARN CCOc1ccc2nc(NCc3c(C)nn(C)c3Cl)sc2c1 ZINC000097045302 258068113 /nfs/dbraw/zinc/06/81/13/258068113.db2.gz PTGRDYJZWMRAGA-UHFFFAOYSA-N 0 0 336.848 4.002 50 0 EIAARN Cc1cccc([C@@H]2CCCN(C(=O)Nc3cccc4c[nH]nc43)C2)c1 ZINC000299766370 258081234 /nfs/dbraw/zinc/08/12/34/258081234.db2.gz DAEMUDLYYGOIDO-QGZVFWFLSA-N 0 0 334.423 4.283 50 0 EIAARN C[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@@H](c2ccco2)C1 ZINC000158425005 533619732 /nfs/dbraw/zinc/61/97/32/533619732.db2.gz AOWQDWXCEBXKBY-DTWKUNHWSA-N 0 0 342.371 4.074 50 0 EIAARN Cc1ccccc1N1CCN(Cc2ccccc2Br)CC1 ZINC000055543613 132195704 /nfs/dbraw/zinc/19/57/04/132195704.db2.gz LKCOKVROFQPFFW-UHFFFAOYSA-N 0 0 345.284 4.080 50 0 EIAARN Fc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000055543248 132195814 /nfs/dbraw/zinc/19/58/14/132195814.db2.gz ODDMKUFELBGGJK-UHFFFAOYSA-N 0 0 339.241 4.455 50 0 EIAARN Cc1cccc(CN2CCN(c3cc(Cl)ccc3C)C(=O)[C@@H]2C)c1 ZINC000037521639 132395964 /nfs/dbraw/zinc/39/59/64/132395964.db2.gz OYVJZZBEIVNYTI-INIZCTEOSA-N 0 0 342.870 4.194 50 0 EIAARN O=C(c1ccc(F)c(F)c1)N1CCSc2ccc(Cl)cc21 ZINC000040071149 132398447 /nfs/dbraw/zinc/39/84/47/132398447.db2.gz SMGGJOHVRXLWNR-UHFFFAOYSA-N 0 0 325.767 4.371 50 0 EIAARN COC(=O)c1cccc2c1CCCN2Cc1ncc(-c2ccccc2)o1 ZINC000040154551 132398642 /nfs/dbraw/zinc/39/86/42/132398642.db2.gz HFCNOOIGBSDBFV-UHFFFAOYSA-N 0 0 348.402 4.081 50 0 EIAARN Cc1cccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1C ZINC000000413857 135649804 /nfs/dbraw/zinc/64/98/04/135649804.db2.gz AZNOECLOEFHDTM-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(N2CCOCC2)n1 ZINC000000509870 135651684 /nfs/dbraw/zinc/65/16/84/135651684.db2.gz UOVRXRKDTWDYDK-UHFFFAOYSA-N 0 0 347.418 4.081 50 0 EIAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccnc1 ZINC000000539914 135652245 /nfs/dbraw/zinc/65/22/45/135652245.db2.gz NIQVHLFWMULEPC-NRFANRHFSA-N 0 0 326.403 4.485 50 0 EIAARN Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000002513687 135657983 /nfs/dbraw/zinc/65/79/83/135657983.db2.gz XYSMGZIKTPWECD-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN Fc1ccccc1-c1nnc2c3ccccc3nc(N3CCCCC3)n12 ZINC000003063657 135659035 /nfs/dbraw/zinc/65/90/35/135659035.db2.gz SMMBDVMRWAPPBA-UHFFFAOYSA-N 0 0 347.397 4.074 50 0 EIAARN Cc1ccc(NC(=O)Oc2ccccc2N2CCOCC2)cc1Cl ZINC000004307748 135663668 /nfs/dbraw/zinc/66/36/68/135663668.db2.gz RSHKKEDTIILNKH-UHFFFAOYSA-N 0 0 346.814 4.096 50 0 EIAARN COc1ccccc1NC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000006842845 135677713 /nfs/dbraw/zinc/67/77/13/135677713.db2.gz ZCHDBOFQKNXBMD-NSHDSACASA-N 0 0 332.787 4.168 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1ccccc1)c1cccc(Cl)c1O2 ZINC000008023726 135682253 /nfs/dbraw/zinc/68/22/53/135682253.db2.gz 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ZINC000000032016 519021564 /nfs/dbraw/zinc/02/15/64/519021564.db2.gz ARULSDQRCKOYIO-UHFFFAOYSA-N 0 0 338.451 4.073 50 0 EIAARN CC(C)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)n(C)n1 ZINC000215932089 519831944 /nfs/dbraw/zinc/83/19/44/519831944.db2.gz VLMVVUCMLJCQEE-UHFFFAOYSA-N 0 0 331.847 4.006 50 0 EIAARN CC(C)(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000009107433 534522804 /nfs/dbraw/zinc/52/28/04/534522804.db2.gz JPPLACWUHHDZDU-UHFFFAOYSA-N 0 0 336.435 4.151 50 0 EIAARN CC(=O)c1cc(CN2CCC(OCc3ccccc3)CC2)cs1 ZINC000215123604 534816993 /nfs/dbraw/zinc/81/69/93/534816993.db2.gz IYABFDUYPLQIQG-UHFFFAOYSA-N 0 0 329.465 4.132 50 0 EIAARN C[C@@H](NC(=O)COc1ccccc1O)c1ccc(-c2ccccc2)cc1 ZINC000007986797 525120196 /nfs/dbraw/zinc/12/01/96/525120196.db2.gz JEFKXLWKKWKPIQ-MRXNPFEDSA-N 0 0 347.414 4.315 50 0 EIAARN Cc1c(Cl)cc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1Cl ZINC000092019516 525745590 /nfs/dbraw/zinc/74/55/90/525745590.db2.gz DTRLNVGPIZDQKY-CYBMUJFWSA-N 0 0 330.255 4.333 50 0 EIAARN O=C(NCCc1cccs1)c1cccc(OCc2ccccc2)c1 ZINC000017909345 526445301 /nfs/dbraw/zinc/44/53/01/526445301.db2.gz HVIMRLOYBIHKDD-UHFFFAOYSA-N 0 0 337.444 4.300 50 0 EIAARN CC(=O)c1csc(C(=O)N2CCCSc3ccc(F)cc32)c1 ZINC000190427700 527423254 /nfs/dbraw/zinc/42/32/54/527423254.db2.gz PSLNRMCNBVGIAJ-UHFFFAOYSA-N 0 0 335.425 4.232 50 0 EIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)c1csc(CCC)n1 ZINC000216194157 534942667 /nfs/dbraw/zinc/94/26/67/534942667.db2.gz DWOWYDQLFSGWDL-INIZCTEOSA-N 0 0 331.485 4.494 50 0 EIAARN CCCCc1nc(Cl)c(CN2CCCC[C@H]2c2cc(C)on2)[nH]1 ZINC000215830706 535108671 /nfs/dbraw/zinc/10/86/71/535108671.db2.gz DJSCALJWBJBAAW-HNNXBMFYSA-N 0 0 336.867 4.429 50 0 EIAARN CC[C@@H](OC(=O)c1ccc(Br)o1)c1ccnc(Cl)c1 ZINC000240225424 535816550 /nfs/dbraw/zinc/81/65/50/535816550.db2.gz DHSFWSUGGADFDQ-SECBINFHSA-N 0 0 344.592 4.399 50 0 EIAARN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000228345600 536009281 /nfs/dbraw/zinc/00/92/81/536009281.db2.gz YEYLITBABVPTKD-DAYGRLMNSA-N 0 0 339.483 4.472 50 0 EIAARN CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CCCN1c1ccccc1 ZINC000225591635 536461492 /nfs/dbraw/zinc/46/14/92/536461492.db2.gz ONYFXWKNVGHYKR-IBGZPJMESA-N 0 0 334.419 4.060 50 0 EIAARN CO[C@H](CNC(=O)CCSc1ccccc1)c1ccccc1Cl ZINC000206850593 536592246 /nfs/dbraw/zinc/59/22/46/536592246.db2.gz MHYWHBDKAYWGOL-QGZVFWFLSA-N 0 0 349.883 4.326 50 0 EIAARN COc1ccccc1CC(=O)N1Cc2ccccc2-c2ccccc21 ZINC000040145844 537018925 /nfs/dbraw/zinc/01/89/25/537018925.db2.gz RSFLEYZLSRHOSW-UHFFFAOYSA-N 0 0 329.399 4.452 50 0 EIAARN COc1cccc(-c2ccc(C(=O)N(C)CCc3ccncc3)cc2)c1 ZINC000216120491 537064515 /nfs/dbraw/zinc/06/45/15/537064515.db2.gz AWSPXKCBMXAHNP-UHFFFAOYSA-N 0 0 346.430 4.072 50 0 EIAARN COc1cccc(-c2cccc(C(=O)NCCCc3cccnc3)c2)c1 ZINC000220610640 537065437 /nfs/dbraw/zinc/06/54/37/537065437.db2.gz XQRFKIUKCFDEPP-UHFFFAOYSA-N 0 0 346.430 4.120 50 0 EIAARN CC(C)(C)Sc1cc(C(=O)Nc2nnc(C(F)F)s2)ccn1 ZINC000097048136 563966997 /nfs/dbraw/zinc/96/69/97/563966997.db2.gz AAWUNUNYROQNQW-UHFFFAOYSA-N 0 0 344.412 4.014 50 0 EIAARN OCCCC[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2OCCC[C@H]12 ZINC000601008690 564043205 /nfs/dbraw/zinc/04/32/05/564043205.db2.gz RROYEMKQPPGUAQ-HICWGWBUSA-N 0 0 330.255 4.418 50 0 EIAARN Cc1cccc2c1cnn2C(=O)Nc1ccc(Br)cc1 ZINC000006768811 564097419 /nfs/dbraw/zinc/09/74/19/564097419.db2.gz PANVBEQPXJSLJT-UHFFFAOYSA-N 0 0 330.185 4.187 50 0 EIAARN Cc1cc(Cn2cc(Br)c(-c3ccc(C)c(C)c3)n2)no1 ZINC000084180966 564067155 /nfs/dbraw/zinc/06/71/55/564067155.db2.gz SSABRYIJTXTXLL-UHFFFAOYSA-N 0 0 346.228 4.274 50 0 EIAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002636413 564088775 /nfs/dbraw/zinc/08/87/75/564088775.db2.gz KDCDXFNMLHYRIS-JTQLQIEISA-N 0 0 342.247 4.133 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc(C)c2C)c(Br)c1 ZINC000000122286 563235084 /nfs/dbraw/zinc/23/50/84/563235084.db2.gz LLYDPAVINSJRQY-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1Cl ZINC000000374356 563298420 /nfs/dbraw/zinc/29/84/20/563298420.db2.gz SGNGUDXRUQKQAB-UHFFFAOYSA-N 0 0 327.714 4.202 50 0 EIAARN Cc1nnc(SCCC(=O)Nc2ccc(C(C)(C)C)cc2)s1 ZINC000002889155 563461985 /nfs/dbraw/zinc/46/19/85/563461985.db2.gz SJZDQCVZDQGEAY-UHFFFAOYSA-N 0 0 335.498 4.265 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000000072439 563215863 /nfs/dbraw/zinc/21/58/63/563215863.db2.gz OXPITJDYUFCZRN-UHFFFAOYSA-N 0 0 333.387 4.198 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)C(Cl)(Cl)Cl ZINC000000073326 563216147 /nfs/dbraw/zinc/21/61/47/563216147.db2.gz WECVLLMKVSLPFK-UHFFFAOYSA-N 0 0 331.424 4.066 50 0 EIAARN COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 ZINC000000077664 563217578 /nfs/dbraw/zinc/21/75/78/563217578.db2.gz HZVJVHZLRVIAHC-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CC(=O)c1cccc(Nc2ncnc3ccc(Br)cc32)c1 ZINC000000101741 563226298 /nfs/dbraw/zinc/22/62/98/563226298.db2.gz RLLSKRHPNIUXLR-UHFFFAOYSA-N 0 0 342.196 4.339 50 0 EIAARN Cc1nc2ccccc2nc1CSc1nnc(-c2ccccc2)o1 ZINC000000109310 563229224 /nfs/dbraw/zinc/22/92/24/563229224.db2.gz DPELXVZRYYSDJE-UHFFFAOYSA-N 0 0 334.404 4.281 50 0 EIAARN FC(F)(F)c1cc(-c2noc(-c3ccno3)n2)cc(C(F)(F)F)c1 ZINC000000114140 563231231 /nfs/dbraw/zinc/23/12/31/563231231.db2.gz WCFLTYFYSMPYAO-UHFFFAOYSA-N 0 0 349.190 4.429 50 0 EIAARN Cc1c2cc(Cl)ccc2sc1C1=NO[C@](O)(C(F)(F)F)C1 ZINC000000114843 563231387 /nfs/dbraw/zinc/23/13/87/563231387.db2.gz GNKVBQLWIZMPHX-LBPRGKRZSA-N 0 0 335.734 4.238 50 0 EIAARN CC(C)CNc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000000116878 563232080 /nfs/dbraw/zinc/23/20/80/563232080.db2.gz IZLHYAQTDUKBEK-UHFFFAOYSA-N 0 0 342.468 4.159 50 0 EIAARN Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)C(C)(C)C ZINC000000118070 563232951 /nfs/dbraw/zinc/23/29/51/563232951.db2.gz UWHAKEWENARSPP-UHFFFAOYSA-N 0 0 343.324 4.230 50 0 EIAARN O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCC1 ZINC000000121326 563234374 /nfs/dbraw/zinc/23/43/74/563234374.db2.gz ABCFVODVDZZUQU-UHFFFAOYSA-N 0 0 333.391 4.030 50 0 EIAARN Cc1cc(C)c2c(N)c(C(=O)Nc3cccc4cccnc43)sc2n1 ZINC000000141451 563242210 /nfs/dbraw/zinc/24/22/10/563242210.db2.gz QRXXWISWBNPJKM-UHFFFAOYSA-N 0 0 348.431 4.296 50 0 EIAARN Cc1cc(C)c(NC(=O)COc2ccccc2Br)c(C)c1 ZINC000000141197 563242232 /nfs/dbraw/zinc/24/22/32/563242232.db2.gz VURJZMLGDIGVRI-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN CCOc1ccc(CC(=O)Nc2cc(C)ccc2C)cc1OCC ZINC000000142783 563242894 /nfs/dbraw/zinc/24/28/94/563242894.db2.gz HDAFIWWVCJVXOA-UHFFFAOYSA-N 0 0 327.424 4.282 50 0 EIAARN O=C(c1ccccc1)N1c2ccccc2O[C@H]1c1ccc2c(c1)OCO2 ZINC000000144428 563243594 /nfs/dbraw/zinc/24/35/94/563243594.db2.gz KMNVWVAWWQHZRU-NRFANRHFSA-N 0 0 345.354 4.153 50 0 EIAARN O=C(NCc1ccccn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000145399 563244200 /nfs/dbraw/zinc/24/42/00/563244200.db2.gz VOAUSUHGXZEOCJ-UHFFFAOYSA-N 0 0 348.246 4.049 50 0 EIAARN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 ZINC000000154657 563247376 /nfs/dbraw/zinc/24/73/76/563247376.db2.gz MFGACVUQAVSPNQ-NSHDSACASA-N 0 0 342.489 4.294 50 0 EIAARN CN(C)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000000158161 563248514 /nfs/dbraw/zinc/24/85/14/563248514.db2.gz ZWBXFOPBAKAHDJ-UHFFFAOYSA-N 0 0 339.317 4.295 50 0 EIAARN COc1cccc(Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)c1 ZINC000000158332 563248521 /nfs/dbraw/zinc/24/85/21/563248521.db2.gz UZOZRXFRYUXIHJ-UHFFFAOYSA-N 0 0 347.374 4.299 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 ZINC000000168812 563250325 /nfs/dbraw/zinc/25/03/25/563250325.db2.gz JXPBXLYFTNHGFE-UHFFFAOYSA-N 0 0 339.178 4.044 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccs1 ZINC000000172807 563252019 /nfs/dbraw/zinc/25/20/19/563252019.db2.gz RYUQJGLSSXOAMM-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN Cc1ccc2nc(-n3nc4ccccc4n3)nc(-c3ccccc3)c2c1 ZINC000000177079 563253448 /nfs/dbraw/zinc/25/34/48/563253448.db2.gz MBNKJUMMHQHMJS-UHFFFAOYSA-N 0 0 337.386 4.339 50 0 EIAARN CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000000189064 563255927 /nfs/dbraw/zinc/25/59/27/563255927.db2.gz BXDBQMKCMZBKFJ-QGZVFWFLSA-N 0 0 343.224 4.147 50 0 EIAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)c1ccccc1 ZINC000000197797 563258354 /nfs/dbraw/zinc/25/83/54/563258354.db2.gz TVLPLDIUMKCWDN-UHFFFAOYSA-N 0 0 345.398 4.153 50 0 EIAARN Cc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1 ZINC000000197759 563258420 /nfs/dbraw/zinc/25/84/20/563258420.db2.gz ZJJYWHTUPVPORO-UHFFFAOYSA-N 0 0 343.386 4.257 50 0 EIAARN Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)cc1 ZINC000000213196 563261446 /nfs/dbraw/zinc/26/14/46/563261446.db2.gz HEWFAQZCBIKHBE-UHFFFAOYSA-N 0 0 325.309 4.292 50 0 EIAARN FC(F)(F)c1cc(-c2cccs2)nc(NCc2cccnc2)n1 ZINC000000213304 563261523 /nfs/dbraw/zinc/26/15/23/563261523.db2.gz RPFJVIDKDUQOND-UHFFFAOYSA-N 0 0 336.342 4.231 50 0 EIAARN CN(C)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000000213521 563261526 /nfs/dbraw/zinc/26/15/26/563261526.db2.gz VKHDVLDKLLYIBO-UHFFFAOYSA-N 0 0 332.831 4.202 50 0 EIAARN CCOC(=O)[C@H]1CCCN(c2cc(C)c3cccc(SC)c3n2)C1 ZINC000000228045 563263440 /nfs/dbraw/zinc/26/34/40/563263440.db2.gz IAVVTAZPWSYZIU-AWEZNQCLSA-N 0 0 344.480 4.045 50 0 EIAARN Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000000238083 563264468 /nfs/dbraw/zinc/26/44/68/563264468.db2.gz TUBHCNSAYAQXGS-UHFFFAOYSA-N 0 0 329.359 4.329 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000000260822 563268077 /nfs/dbraw/zinc/26/80/77/563268077.db2.gz AGXUBEKMNFLXPB-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN O=C(COc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000000303486 563276759 /nfs/dbraw/zinc/27/67/59/563276759.db2.gz BJQUPEHTNFPCNO-UHFFFAOYSA-N 0 0 345.704 4.256 50 0 EIAARN Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccs2)S3)cc1 ZINC000000304281 563277078 /nfs/dbraw/zinc/27/70/78/563277078.db2.gz RIPMYYYWCRPHGR-ZDUSSCGKSA-N 0 0 327.434 4.192 50 0 EIAARN COc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)cc1Cl ZINC000000309601 563279870 /nfs/dbraw/zinc/27/98/70/563279870.db2.gz POLWLJMJFDLIHL-UHFFFAOYSA-N 0 0 348.855 4.092 50 0 EIAARN CCc1sc(C=O)cc1COc1ccc(Br)cc1 ZINC000000310068 563280339 /nfs/dbraw/zinc/28/03/39/563280339.db2.gz SHCGNVGHFCSGPO-UHFFFAOYSA-N 0 0 325.227 4.465 50 0 EIAARN CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OCC)cc21 ZINC000000313990 563282059 /nfs/dbraw/zinc/28/20/59/563282059.db2.gz SBIXFKIMHHZCGL-UHFFFAOYSA-N 0 0 327.380 4.166 50 0 EIAARN O=C(Nc1ccc(-c2noc(-c3ccccc3)n2)cc1)c1ccco1 ZINC000000315519 563282729 /nfs/dbraw/zinc/28/27/29/563282729.db2.gz XODFIOIFEQTCBX-UHFFFAOYSA-N 0 0 331.331 4.249 50 0 EIAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Cl)cc1 ZINC000000332941 563284963 /nfs/dbraw/zinc/28/49/63/563284963.db2.gz RKZWOQRHZOKRQA-UHFFFAOYSA-N 0 0 326.566 4.447 50 0 EIAARN CCSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 ZINC000000340013 563285978 /nfs/dbraw/zinc/28/59/78/563285978.db2.gz KUZNZRPTWLZDGH-UHFFFAOYSA-N 0 0 328.441 4.115 50 0 EIAARN CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(C)c1 ZINC000000344737 563287315 /nfs/dbraw/zinc/28/73/15/563287315.db2.gz VDKRBGSGNDBMIJ-UHFFFAOYSA-N 0 0 342.439 4.111 50 0 EIAARN COc1ccc(-n2c(SC(F)F)nnc2-c2cccs2)cc1 ZINC000000352107 563290131 /nfs/dbraw/zinc/29/01/31/563290131.db2.gz XLWSMGYPOYLMGO-UHFFFAOYSA-N 0 0 339.392 4.319 50 0 EIAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCCC1 ZINC000000355943 563291201 /nfs/dbraw/zinc/29/12/01/563291201.db2.gz QMBJJOJVPPQUQL-UHFFFAOYSA-N 0 0 329.421 4.330 50 0 EIAARN COc1cc(C(=O)Nc2ccc3ccccc3c2)cc(OC)c1OC ZINC000000361926 563294005 /nfs/dbraw/zinc/29/40/05/563294005.db2.gz LPSNHFCWSAABIN-UHFFFAOYSA-N 0 0 337.375 4.118 50 0 EIAARN CCc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000000361393 563294050 /nfs/dbraw/zinc/29/40/50/563294050.db2.gz CVNWMJIMQVOSDR-UHFFFAOYSA-N 0 0 348.855 4.038 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000000363831 563294957 /nfs/dbraw/zinc/29/49/57/563294957.db2.gz VWLSUUMPDMRPTE-UHFFFAOYSA-N 0 0 334.213 4.489 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 ZINC000000364379 563295399 /nfs/dbraw/zinc/29/53/99/563295399.db2.gz HQCFNBIWDJHRPB-UHFFFAOYSA-N 0 0 331.371 4.467 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Br)cc1 ZINC000000364646 563295576 /nfs/dbraw/zinc/29/55/76/563295576.db2.gz RAQYZKCOVIVIAL-LBPRGKRZSA-N 0 0 334.213 4.164 50 0 EIAARN Cc1cccc(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)c1 ZINC000000365529 563296110 /nfs/dbraw/zinc/29/61/10/563296110.db2.gz RRWBNJXRKVMZNT-UHFFFAOYSA-N 0 0 344.842 4.287 50 0 EIAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)[C@@H]1CCCO1 ZINC000000367907 563297305 /nfs/dbraw/zinc/29/73/05/563297305.db2.gz BXJOSLTZPOCOMF-INIZCTEOSA-N 0 0 342.782 4.266 50 0 EIAARN C[C@@H]1C[C@H](NC(=O)c2ccc(Br)s2)CC(C)(C)C1 ZINC000000376617 563299134 /nfs/dbraw/zinc/29/91/34/563299134.db2.gz DFYTWDOEZSZJGX-ZJUUUORDSA-N 0 0 330.291 4.455 50 0 EIAARN COc1cccc(C(=O)c2sc3nc(C)c(C)c(C)c3c2N)c1 ZINC000000377357 563299398 /nfs/dbraw/zinc/29/93/98/563299398.db2.gz YFGDWZZVORZNMR-UHFFFAOYSA-N 0 0 326.421 4.043 50 0 EIAARN c1c2ccccc2oc1-c1nn2c(Cc3ccccc3)nnc2s1 ZINC000000383110 563300629 /nfs/dbraw/zinc/30/06/29/563300629.db2.gz ZTXMSLSUPVSRBJ-UHFFFAOYSA-N 0 0 332.388 4.190 50 0 EIAARN Cc1cccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000000386880 563303186 /nfs/dbraw/zinc/30/31/86/563303186.db2.gz OBCZNEIMVDDOGA-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000000407953 563307277 /nfs/dbraw/zinc/30/72/77/563307277.db2.gz OPTWRDFVXQQSTK-MRXNPFEDSA-N 0 0 339.460 4.139 50 0 EIAARN Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2 ZINC000000411218 563308014 /nfs/dbraw/zinc/30/80/14/563308014.db2.gz FQABKSSRXRPGDZ-UHFFFAOYSA-N 0 0 336.254 4.203 50 0 EIAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000000413837 563308289 /nfs/dbraw/zinc/30/82/89/563308289.db2.gz ZEFIZMXHPZYFTL-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN COc1ccccc1-c1cc(C(=O)Nc2ccccc2SC)no1 ZINC000000423731 563309336 /nfs/dbraw/zinc/30/93/36/563309336.db2.gz FMYKOGBCEMPFOE-UHFFFAOYSA-N 0 0 340.404 4.324 50 0 EIAARN O=C(Nc1cc(Cl)ccc1O)c1ccc(Br)cc1 ZINC000000433348 563311466 /nfs/dbraw/zinc/31/14/66/563311466.db2.gz USJDPHSLXXILDF-UHFFFAOYSA-N 0 0 326.577 4.060 50 0 EIAARN Cc1ccc(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000433671 563311895 /nfs/dbraw/zinc/31/18/95/563311895.db2.gz VGAVCCYRROSLRH-IZZDOVSWSA-N 0 0 340.854 4.010 50 0 EIAARN COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1Cl ZINC000000436041 563312816 /nfs/dbraw/zinc/31/28/16/563312816.db2.gz SNHBFPDDLQYEAZ-UHFFFAOYSA-N 0 0 340.206 4.328 50 0 EIAARN COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1OC ZINC000000440488 563313906 /nfs/dbraw/zinc/31/39/06/563313906.db2.gz UCERHXQSFRMAAB-UHFFFAOYSA-N 0 0 347.414 4.223 50 0 biogenic EIAARN CC(C)(C)C(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000000450332 563319280 /nfs/dbraw/zinc/31/92/80/563319280.db2.gz ULPVPZRYNGWDIQ-UHFFFAOYSA-N 0 0 348.826 4.319 50 0 EIAARN CCOC(=O)Cc1c(Sc2ccccc2)c2ccccc2n1C ZINC000000453181 563321630 /nfs/dbraw/zinc/32/16/30/563321630.db2.gz HJUQEHMVHMIPBW-UHFFFAOYSA-N 0 0 325.433 4.435 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000000455165 563323608 /nfs/dbraw/zinc/32/36/08/563323608.db2.gz ZDUVVAWZLCQKSN-ZDUSSCGKSA-N 0 0 332.241 4.200 50 0 EIAARN Cc1ccc(-n2nnnc2SCc2ccccc2F)cc1Cl ZINC000000456053 563323966 /nfs/dbraw/zinc/32/39/66/563323966.db2.gz YYOXAXFAPGQYRG-UHFFFAOYSA-N 0 0 334.807 4.056 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000000456930 563324580 /nfs/dbraw/zinc/32/45/80/563324580.db2.gz BURFHMZXWOSNMP-GFCCVEGCSA-N 0 0 334.213 4.164 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000457088 563324862 /nfs/dbraw/zinc/32/48/62/563324862.db2.gz SHNSBNNFZLNQTC-UHFFFAOYSA-N 0 0 337.206 4.228 50 0 EIAARN Cc1c(OCC(=O)C(C)(C)C)ccc2c3c(c(=O)oc12)CCCCC3 ZINC000000462940 563327243 /nfs/dbraw/zinc/32/72/43/563327243.db2.gz OGWDBZBCHYZEMO-UHFFFAOYSA-N 0 0 342.435 4.364 50 0 EIAARN COc1ccccc1OCc1ccc(C(=O)OC2CCCCC2)o1 ZINC000000467566 563329045 /nfs/dbraw/zinc/32/90/45/563329045.db2.gz IHINBUOSRCWQGF-UHFFFAOYSA-N 0 0 330.380 4.357 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000471035 563331254 /nfs/dbraw/zinc/33/12/54/563331254.db2.gz CYBWQZLBDLDTMO-LLVKDONJSA-N 0 0 348.855 4.418 50 0 EIAARN COc1cc(NC(=O)c2cccc(Br)c2)ccc1Cl ZINC000000476663 563334793 /nfs/dbraw/zinc/33/47/93/563334793.db2.gz JDGYWRZFPIOINU-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)[C@H]1CCCO1 ZINC000000477177 563335071 /nfs/dbraw/zinc/33/50/71/563335071.db2.gz QKVDQSBBZZFHKS-QVKFZJNVSA-N 0 0 346.430 4.199 50 0 EIAARN COc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c(OC)c1 ZINC000000480618 563336477 /nfs/dbraw/zinc/33/64/77/563336477.db2.gz LEEKCYRUTITOHF-KRWDZBQOSA-N 0 0 333.387 4.331 50 0 EIAARN COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000482336 563336791 /nfs/dbraw/zinc/33/67/91/563336791.db2.gz NOYYCIQXJKAVHM-UHFFFAOYSA-N 0 0 339.174 4.042 50 0 EIAARN Cc1cccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c1O ZINC000000482479 563337141 /nfs/dbraw/zinc/33/71/41/563337141.db2.gz XNPZDCRHZMBPSC-UHFFFAOYSA-N 0 0 339.174 4.047 50 0 EIAARN CC1(C)COC(N(C(=O)NC2CCCCC2)c2cccc(Cl)c2)=N1 ZINC000000528272 563341720 /nfs/dbraw/zinc/34/17/20/563341720.db2.gz NHAGKSUGFUNFOL-UHFFFAOYSA-N 0 0 349.862 4.354 50 0 EIAARN Clc1ccc(-c2nn3c(nnc3-c3ccco3)s2)c(Cl)c1 ZINC000000531963 563342708 /nfs/dbraw/zinc/34/27/08/563342708.db2.gz KIOYCEUSISBNDT-UHFFFAOYSA-N 0 0 337.191 4.420 50 0 EIAARN Cc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn32)c1 ZINC000000532161 563343117 /nfs/dbraw/zinc/34/31/17/563343117.db2.gz HDMAIYXTTTVEQJ-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN CC[C@@H](C)OC(=O)c1c(N)n([C@H](C)CC)c2nc3ccccc3nc12 ZINC000000542164 563344213 /nfs/dbraw/zinc/34/42/13/563344213.db2.gz MXHWYMCDLGFBJF-VXGBXAGGSA-N 0 0 340.427 4.093 50 0 EIAARN CCN(CC)c1ccc(NC(=O)COc2cccc(C)c2C)c(C)c1 ZINC000000557460 563346161 /nfs/dbraw/zinc/34/61/61/563346161.db2.gz YQWNDKNMFZISDA-UHFFFAOYSA-N 0 0 340.467 4.476 50 0 EIAARN CSc1cccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c1 ZINC000000559115 563346987 /nfs/dbraw/zinc/34/69/87/563346987.db2.gz UONFXXDPBZATGA-UHFFFAOYSA-N 0 0 338.432 4.123 50 0 EIAARN CSc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1 ZINC000000565688 563347658 /nfs/dbraw/zinc/34/76/58/563347658.db2.gz OMAVCDVBFOGLHH-OAHLLOKOSA-N 0 0 330.478 4.203 50 0 EIAARN COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1Cl ZINC000000569618 563348794 /nfs/dbraw/zinc/34/87/94/563348794.db2.gz XDAZHGWEJWNFDI-UHFFFAOYSA-N 0 0 333.815 4.490 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000000577613 563350772 /nfs/dbraw/zinc/35/07/72/563350772.db2.gz MUUMQCAFDQDLPK-UHFFFAOYSA-N 0 0 349.415 4.324 50 0 EIAARN Cc1ccc(OC(=O)COc2ccc(Br)cc2C)c(C)c1 ZINC000000587197 563351757 /nfs/dbraw/zinc/35/17/57/563351757.db2.gz AEZKTJPRNGJXKA-UHFFFAOYSA-N 0 0 349.224 4.359 50 0 EIAARN COc1ccccc1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000000610532 563353663 /nfs/dbraw/zinc/35/36/63/563353663.db2.gz LZCRRBTYEXGIKW-UHFFFAOYSA-N 0 0 340.370 4.201 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000000612305 563355396 /nfs/dbraw/zinc/35/53/96/563355396.db2.gz PZBYRZJFJLQLEI-UHFFFAOYSA-N 0 0 336.750 4.300 50 0 EIAARN Cc1ccc(CSc2nnc(COc3ccc(C)cc3)n2C)cc1 ZINC000000612702 563355754 /nfs/dbraw/zinc/35/57/54/563355754.db2.gz VYOYXDQUCHLKAB-UHFFFAOYSA-N 0 0 339.464 4.303 50 0 EIAARN O[C@H](c1nc2ccccc2n1Cc1ccc(F)cc1)c1ccccc1 ZINC000000612787 563355756 /nfs/dbraw/zinc/35/57/56/563355756.db2.gz BJGJSZUHCLKKLP-FQEVSTJZSA-N 0 0 332.378 4.305 50 0 EIAARN COc1cc(C(=O)Nc2ccccc2C(C)(C)C)cc(OC)c1OC ZINC000000614168 563357064 /nfs/dbraw/zinc/35/70/64/563357064.db2.gz LBGWURBADROZBS-UHFFFAOYSA-N 0 0 343.423 4.262 50 0 EIAARN Cc1ccccc1NC(=S)NC(=O)Cc1cccc2ccccc21 ZINC000000614553 563357353 /nfs/dbraw/zinc/35/73/53/563357353.db2.gz OCYVUXNMZWUGRU-UHFFFAOYSA-N 0 0 334.444 4.204 50 0 EIAARN COc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1OC ZINC000000616437 563358480 /nfs/dbraw/zinc/35/84/80/563358480.db2.gz YOPOPAVQRJNFSG-UHFFFAOYSA-N 0 0 345.398 4.204 50 0 EIAARN O=C(OCc1c(Cl)cccc1Cl)c1cc2ccccc2oc1=O ZINC000000618077 563359912 /nfs/dbraw/zinc/35/99/12/563359912.db2.gz MLIAWESLSNYHGM-UHFFFAOYSA-N 0 0 349.169 4.457 50 0 EIAARN O=C(C1CCC(c2ccc(-c3ccccc3)cc2)CC1)N1CCOCC1 ZINC000000758189 563363012 /nfs/dbraw/zinc/36/30/12/563363012.db2.gz KDTGPMCHKCQPGE-UHFFFAOYSA-N 0 0 349.474 4.486 50 0 EIAARN O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000001007732 563368296 /nfs/dbraw/zinc/36/82/96/563368296.db2.gz QKOJWMGLUPRVCF-DHDCSXOGSA-N 0 0 331.343 4.201 50 0 EIAARN CCSc1ccccc1C(=O)Nc1nnc(CC(C)(C)C)s1 ZINC000001010423 563368307 /nfs/dbraw/zinc/36/83/07/563368307.db2.gz HENUOTAPACPLPL-UHFFFAOYSA-N 0 0 335.498 4.491 50 0 EIAARN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1Cl ZINC000001015719 563368626 /nfs/dbraw/zinc/36/86/26/563368626.db2.gz CWEMXVIAVUNPHN-ITTMYVLYSA-N 0 0 325.817 4.183 50 0 EIAARN Cc1ccc(CN2C(=O)S[C@H](Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000001018889 563368942 /nfs/dbraw/zinc/36/89/42/563368942.db2.gz ZVCGHCOZWCLRDQ-HNNXBMFYSA-N 0 0 346.839 4.282 50 0 EIAARN C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccncc1 ZINC000001054578 563370834 /nfs/dbraw/zinc/37/08/34/563370834.db2.gz BJAUMUDTXQRDLB-AWEZNQCLSA-N 0 0 330.387 4.197 50 0 EIAARN Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)cs1 ZINC000001055426 563371152 /nfs/dbraw/zinc/37/11/52/563371152.db2.gz MBILNBCBYUIXFV-UHFFFAOYSA-N 0 0 332.169 4.350 50 0 EIAARN CC(C)NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000001061338 563371856 /nfs/dbraw/zinc/37/18/56/563371856.db2.gz QEJWEEHIVCFFDO-UHFFFAOYSA-N 0 0 331.803 4.122 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1CCc1ccccc1 ZINC000001064741 563372469 /nfs/dbraw/zinc/37/24/69/563372469.db2.gz LYHVDTZEFIYSHB-UHFFFAOYSA-N 0 0 345.398 4.453 50 0 EIAARN CN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000001067214 563372897 /nfs/dbraw/zinc/37/28/97/563372897.db2.gz LLJYOCMUFJQKRK-UHFFFAOYSA-N 0 0 336.416 4.277 50 0 EIAARN COc1nc2c(C)cccc2cc1-c1noc(COc2ccccc2)n1 ZINC000001075974 563373576 /nfs/dbraw/zinc/37/35/76/563373576.db2.gz QNUWFTJSUAZIFU-UHFFFAOYSA-N 0 0 347.374 4.181 50 0 EIAARN Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl ZINC000001079431 563373908 /nfs/dbraw/zinc/37/39/08/563373908.db2.gz DKWNEONFAFAUMT-UHFFFAOYSA-N 0 0 329.827 4.335 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1cc(-c2ccccc2Cl)on1 ZINC000001126439 563375620 /nfs/dbraw/zinc/37/56/20/563375620.db2.gz PNCQUAFKJIKVMI-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(Cl)cc3)C2=O)c1 ZINC000001228256 563380345 /nfs/dbraw/zinc/38/03/45/563380345.db2.gz RCDCHYMSCOUPRX-CQSZACIVSA-N 0 0 332.812 4.286 50 0 EIAARN CC(=O)c1sc2nc(-c3ccc(Br)cc3)cn2c1C ZINC000001399616 563387447 /nfs/dbraw/zinc/38/74/47/563387447.db2.gz WFYDSFZCRJLZKS-UHFFFAOYSA-N 0 0 335.226 4.336 50 0 EIAARN COC(=O)c1ccc(-c2nc(-c3cc(C)nc4ccccc43)no2)cc1 ZINC000001426774 563388491 /nfs/dbraw/zinc/38/84/91/563388491.db2.gz GYMODWOEEVKNRQ-UHFFFAOYSA-N 0 0 345.358 4.047 50 0 EIAARN Cc1cccc(N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1C ZINC000001457056 563389838 /nfs/dbraw/zinc/38/98/38/563389838.db2.gz KCXMPMOZZBHQGA-GOSISDBHSA-N 0 0 336.479 4.146 50 0 EIAARN CCCCOc1ccccc1NC(=O)c1cc2ccccc2oc1=O ZINC000001777602 563411195 /nfs/dbraw/zinc/41/11/95/563411195.db2.gz UZHMRLSXRIGSIL-UHFFFAOYSA-N 0 0 337.375 4.224 50 0 EIAARN COc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000001778332 563411558 /nfs/dbraw/zinc/41/15/58/563411558.db2.gz IVGCANSUXYSOQB-UHFFFAOYSA-N 0 0 333.815 4.455 50 0 EIAARN CCCCOc1ccc(NC(=O)COc2cccc(C)c2C)cc1 ZINC000001779709 563411862 /nfs/dbraw/zinc/41/18/62/563411862.db2.gz KCADYQHYWGECOO-UHFFFAOYSA-N 0 0 327.424 4.500 50 0 EIAARN O=C(CCCCC(=O)OCc1ccccc1)OCc1ccccc1 ZINC000001841210 563414211 /nfs/dbraw/zinc/41/42/11/563414211.db2.gz AEUORZZHALJMBM-UHFFFAOYSA-N 0 0 326.392 4.034 50 0 EIAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(C)c(C)c2)N1 ZINC000001849709 563414220 /nfs/dbraw/zinc/41/42/20/563414220.db2.gz IESZLNMUODLFMA-GOSISDBHSA-N 0 0 345.899 4.419 50 0 EIAARN O=Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)ccc2ccccc21 ZINC000002028652 563418730 /nfs/dbraw/zinc/41/87/30/563418730.db2.gz ABTSREUWVIIAKM-UHFFFAOYSA-N 0 0 346.791 4.073 50 0 EIAARN CCCC[C@@H](CC)c1nnc(NC(=O)COc2ccccc2)s1 ZINC000002070615 563421324 /nfs/dbraw/zinc/42/13/24/563421324.db2.gz NBPPZKDRAQRHJM-CYBMUJFWSA-N 0 0 333.457 4.239 50 0 EIAARN COc1cccc(-c2nn3c(nnc3-c3cc(C)cc(C)c3)s2)c1 ZINC000002182936 563425977 /nfs/dbraw/zinc/42/59/77/563425977.db2.gz DGIXMQKPTCRKMS-UHFFFAOYSA-N 0 0 336.420 4.145 50 0 EIAARN Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn32)n1 ZINC000002202130 563426617 /nfs/dbraw/zinc/42/66/17/563426617.db2.gz KWGQGNFSOVSOMV-UHFFFAOYSA-N 0 0 345.450 4.496 50 0 EIAARN COc1ccc(-c2nnc(SCc3ccccc3C)n2C)cc1 ZINC000002448399 563432518 /nfs/dbraw/zinc/43/25/18/563432518.db2.gz CWDDXFZGWIBYSJ-UHFFFAOYSA-N 0 0 325.437 4.091 50 0 EIAARN CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(C)cc1 ZINC000002450432 563432660 /nfs/dbraw/zinc/43/26/60/563432660.db2.gz WSEVPASXFRDTAV-UHFFFAOYSA-N 0 0 337.448 4.248 50 0 EIAARN COc1cccc(CCC(=O)c2ccc(Br)cc2F)c1 ZINC000002516525 563437299 /nfs/dbraw/zinc/43/72/99/563437299.db2.gz REYIZROGRBXLAQ-UHFFFAOYSA-N 0 0 337.188 4.412 50 0 EIAARN CC1(C)COC(CCCC(=O)c2ccccc2C(F)(F)F)OC1 ZINC000002518069 563438034 /nfs/dbraw/zinc/43/80/34/563438034.db2.gz CPSWBOMPVGTJHX-UHFFFAOYSA-N 0 0 330.346 4.458 50 0 EIAARN CCOC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1 ZINC000002520661 563438657 /nfs/dbraw/zinc/43/86/57/563438657.db2.gz MBUXRFNLZCQKJX-UHFFFAOYSA-N 0 0 340.810 4.429 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1C ZINC000002546563 563440440 /nfs/dbraw/zinc/44/04/40/563440440.db2.gz BPHWXEVVLWJWPQ-VQHVLOKHSA-N 0 0 346.224 4.418 50 0 EIAARN COc1ccccc1NC(=O)c1c(N)sc2c1CCCCCC2 ZINC000002558521 563441202 /nfs/dbraw/zinc/44/12/02/563441202.db2.gz RBRSZUDSZOWMNS-UHFFFAOYSA-N 0 0 330.453 4.250 50 0 EIAARN O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000002642713 563444720 /nfs/dbraw/zinc/44/47/20/563444720.db2.gz CPEQIVNXBIXREJ-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN Cc1c2ccccc2oc1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000002653860 563445205 /nfs/dbraw/zinc/44/52/05/563445205.db2.gz JDJASKCJLZAFEP-UHFFFAOYSA-N 0 0 348.446 4.320 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)nnn1-c1ccc(C)c(C)c1 ZINC000002698862 563446215 /nfs/dbraw/zinc/44/62/15/563446215.db2.gz ATQAXQHUBRLFHM-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OCCC(C)C)cc1 ZINC000002706852 563446589 /nfs/dbraw/zinc/44/65/89/563446589.db2.gz DPDNIUCKXHBCLF-UHFFFAOYSA-N 0 0 337.419 4.149 50 0 EIAARN COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002760290 563449456 /nfs/dbraw/zinc/44/94/56/563449456.db2.gz KJUGRQSYSIUZRJ-UHFFFAOYSA-N 0 0 342.192 4.451 50 0 EIAARN CCCCNC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000002760086 563449520 /nfs/dbraw/zinc/44/95/20/563449520.db2.gz BEHNNGRZTUDWLJ-UHFFFAOYSA-N 0 0 338.473 4.114 50 0 EIAARN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3F)o2)n1 ZINC000002764569 563449734 /nfs/dbraw/zinc/44/97/34/563449734.db2.gz CWAIBKJFJDEKSR-UHFFFAOYSA-N 0 0 347.777 4.186 50 0 EIAARN Cc1cc(C(F)(F)F)nc2sc(C(=O)c3ccccc3)c(N)c21 ZINC000002767193 563450154 /nfs/dbraw/zinc/45/01/54/563450154.db2.gz PKOLGQVZNYVTIN-UHFFFAOYSA-N 0 0 336.338 4.437 50 0 EIAARN CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000002769155 563450224 /nfs/dbraw/zinc/45/02/24/563450224.db2.gz GOYPCSNMECNXHX-MRXNPFEDSA-N 0 0 348.240 4.095 50 0 EIAARN Cc1nnc(SCC(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000002795126 563450889 /nfs/dbraw/zinc/45/08/89/563450889.db2.gz PZZHHKTYUJFVNW-UHFFFAOYSA-N 0 0 326.446 4.489 50 0 EIAARN Cc1cccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000002810395 563451641 /nfs/dbraw/zinc/45/16/41/563451641.db2.gz BNTVUSXGLRXTFK-UHFFFAOYSA-N 0 0 338.354 4.141 50 0 EIAARN CCn1cc([C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)c(C)n1 ZINC000002852336 563456130 /nfs/dbraw/zinc/45/61/30/563456130.db2.gz AGGGFGOPVUCWBR-SECBINFHSA-N 0 0 340.855 4.052 50 0 EIAARN Cc1ccc(SCCC(=O)NCCSc2ccccc2)cc1 ZINC000002855706 563456399 /nfs/dbraw/zinc/45/63/99/563456399.db2.gz MLBBMUYWXPNQOH-UHFFFAOYSA-N 0 0 331.506 4.386 50 0 EIAARN COc1cccc(NC(=O)c2cccnc2Nc2ccc(F)cc2)c1 ZINC000002866245 563458010 /nfs/dbraw/zinc/45/80/10/563458010.db2.gz PGYIDVJHQWRSPI-UHFFFAOYSA-N 0 0 337.354 4.225 50 0 EIAARN CCCOc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000002869423 563458723 /nfs/dbraw/zinc/45/87/23/563458723.db2.gz MURSIFQQHZZYFB-INIZCTEOSA-N 0 0 347.480 4.132 50 0 EIAARN Cc1ccc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000002868901 563458799 /nfs/dbraw/zinc/45/87/99/563458799.db2.gz RCQPFGZNOUAREX-SFHVURJKSA-N 0 0 341.476 4.196 50 0 EIAARN O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccccc1 ZINC000002876110 563459722 /nfs/dbraw/zinc/45/97/22/563459722.db2.gz ZFWSDMFEIXVZKP-UHFFFAOYSA-N 0 0 333.416 4.447 50 0 EIAARN CC(C)N(C(=O)COc1ccc(Br)cc1Cl)C(C)C ZINC000002878574 563460184 /nfs/dbraw/zinc/46/01/84/563460184.db2.gz AVAVUVPAURTGCM-UHFFFAOYSA-N 0 0 348.668 4.127 50 0 EIAARN CC1(C)[C@@]2(C(=O)Oc3ccc(Cl)cc3Cl)CC[C@]1(C)C(=O)O2 ZINC000002882978 563461459 /nfs/dbraw/zinc/46/14/59/563461459.db2.gz MTEKMBMHBCVBJU-CVEARBPZSA-N 0 0 343.206 4.021 50 0 EIAARN O=C(CSc1ccccn1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002917811 563463481 /nfs/dbraw/zinc/46/34/81/563463481.db2.gz ALHCYUSSNMNCRW-UHFFFAOYSA-N 0 0 346.761 4.485 50 0 EIAARN COc1cc(C)ccc1OCCOCCOc1cccc(Cl)c1 ZINC000002984914 563466420 /nfs/dbraw/zinc/46/64/20/563466420.db2.gz BKMXFLOJODYXLQ-UHFFFAOYSA-N 0 0 336.815 4.131 50 0 EIAARN CCc1ccc(OCCOCCOc2ccc(C)cc2OC)cc1 ZINC000002986874 563467121 /nfs/dbraw/zinc/46/71/21/563467121.db2.gz XDUNOVWKKFDFLT-UHFFFAOYSA-N 0 0 330.424 4.040 50 0 EIAARN CCCOc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)cc1 ZINC000002991171 563468233 /nfs/dbraw/zinc/46/82/33/563468233.db2.gz WIZUBIRGTWHICN-UHFFFAOYSA-N 0 0 342.464 4.219 50 0 EIAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)c(C)c1 ZINC000003083670 563471340 /nfs/dbraw/zinc/47/13/40/563471340.db2.gz PMMHGWAMCLITDS-OAHLLOKOSA-N 0 0 329.469 4.138 50 0 EIAARN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000003230406 563477545 /nfs/dbraw/zinc/47/75/45/563477545.db2.gz TYMJYOJIIUAOJI-UHFFFAOYSA-N 0 0 325.389 4.280 50 0 EIAARN CCc1[nH]nc(CCc2ccccc2)c1NC(=O)c1cccc(F)c1 ZINC000034795329 563480059 /nfs/dbraw/zinc/48/00/59/563480059.db2.gz HOLYYGZPPDVDPC-UHFFFAOYSA-N 0 0 337.398 4.149 50 0 EIAARN CCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C1CCCC1 ZINC000034796172 563480562 /nfs/dbraw/zinc/48/05/62/563480562.db2.gz SYJWBDWOYGOPSV-UHFFFAOYSA-N 0 0 327.428 4.167 50 0 EIAARN CCCc1[nH]nc(-c2cccs2)c1NC(=O)c1ccccc1F ZINC000034796475 563480623 /nfs/dbraw/zinc/48/06/23/563480623.db2.gz RQVLVBPRKDLSPB-UHFFFAOYSA-N 0 0 329.400 4.482 50 0 EIAARN COc1ccc(OCc2noc(-c3ccc4ccccc4c3)n2)cc1 ZINC000034907014 563481247 /nfs/dbraw/zinc/48/12/47/563481247.db2.gz JMQYJUYBIJWWQD-UHFFFAOYSA-N 0 0 332.359 4.477 50 0 EIAARN CCn1nc(C(=O)NC2CCCCC2)cc1-c1cc(C)sc1C ZINC000034901008 563483511 /nfs/dbraw/zinc/48/35/11/563483511.db2.gz TWYVZAOHMMUGOU-UHFFFAOYSA-N 0 0 331.485 4.311 50 0 EIAARN CC[C@H](C)NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)n(CC)n1 ZINC000034901438 563483566 /nfs/dbraw/zinc/48/35/66/563483566.db2.gz SQNZDPFKNXWRTF-NSHDSACASA-N 0 0 339.361 4.117 50 0 EIAARN Cc1ccc2ncn(C3CCN(C(=O)[C@H]4CCCC[C@H]4C)CC3)c2c1 ZINC000034915375 563484263 /nfs/dbraw/zinc/48/42/63/563484263.db2.gz NQXZPQISRYKKCA-AEFFLSMTSA-N 0 0 339.483 4.335 50 0 EIAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)C1CCCC1 ZINC000034912673 563484911 /nfs/dbraw/zinc/48/49/11/563484911.db2.gz HTFJPVWUJMIZEO-UHFFFAOYSA-N 0 0 349.434 4.447 50 0 EIAARN COc1cccc(-c2nc3ccccn3c2NC(=O)c2ccccc2)c1 ZINC000034913414 563485444 /nfs/dbraw/zinc/48/54/44/563485444.db2.gz AAEICMVEDRZWMQ-UHFFFAOYSA-N 0 0 343.386 4.262 50 0 EIAARN CC(C)Cc1nnc([C@@H](C)Sc2nc3cc(Cl)cnc3[nH]2)o1 ZINC000071893876 563487862 /nfs/dbraw/zinc/48/78/62/563487862.db2.gz IYWRQGRKUZVLPY-MRVPVSSYSA-N 0 0 337.836 4.046 50 0 EIAARN CCCc1cc(NCc2ccccn2)n2ncc(-c3ccccc3)c2n1 ZINC000005206510 563522847 /nfs/dbraw/zinc/52/28/47/563522847.db2.gz XLPFVKXJCRUBOX-UHFFFAOYSA-N 0 0 343.434 4.356 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000005611031 563542908 /nfs/dbraw/zinc/54/29/08/563542908.db2.gz MVPZIIXKEANFCY-UTUOFQBUSA-N 0 0 330.255 4.265 50 0 EIAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccncc1 ZINC000005636394 563543298 /nfs/dbraw/zinc/54/32/98/563543298.db2.gz ARRLGLCWYFHJIH-GHMZBOCLSA-N 0 0 339.222 4.033 50 0 EIAARN COC(=O)[C@]12CCCC[C@H]1c1ccccc1N(Cc1ccccc1)C2=O ZINC000006169655 563560415 /nfs/dbraw/zinc/56/04/15/563560415.db2.gz KFMXHCOILPXXGL-PGRDOPGGSA-N 0 0 349.430 4.050 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000006260084 563563029 /nfs/dbraw/zinc/56/30/29/563563029.db2.gz QJZHFPOMZMQGEI-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN Cc1csc(C2(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CCC2)n1 ZINC000071908911 563569591 /nfs/dbraw/zinc/56/95/91/563569591.db2.gz CGSIUECTSIUKJV-RYUDHWBXSA-N 0 0 346.418 4.316 50 0 EIAARN Cc1csc(C2(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CCC2)n1 ZINC000071908913 563570309 /nfs/dbraw/zinc/57/03/09/563570309.db2.gz CGSIUECTSIUKJV-NWDGAFQWSA-N 0 0 346.418 4.316 50 0 EIAARN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)C1CCCC1 ZINC000071909316 563573180 /nfs/dbraw/zinc/57/31/80/563573180.db2.gz CLWJCFQAADQURN-XMMPIXPASA-N 0 0 341.476 4.264 50 0 EIAARN CCCCC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000071909309 563573212 /nfs/dbraw/zinc/57/32/12/563573212.db2.gz GFQZJVHSKNIARQ-HSZRJFAPSA-N 0 0 329.465 4.264 50 0 EIAARN O=C(c1cccc(Cl)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000071910102 563576391 /nfs/dbraw/zinc/57/63/91/563576391.db2.gz XEIIRIXFBTVLJJ-UHFFFAOYSA-N 0 0 345.670 4.297 50 0 EIAARN Cc1nnc(SCC(=O)n2c3ccccc3c3ccccc32)s1 ZINC000006659935 563576757 /nfs/dbraw/zinc/57/67/57/563576757.db2.gz VHDVNDHVYDAYOC-UHFFFAOYSA-N 0 0 339.445 4.387 50 0 EIAARN C[C@H]1CCCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006698769 563578915 /nfs/dbraw/zinc/57/89/15/563578915.db2.gz CWDSOGKEOLANEU-JTQLQIEISA-N 0 0 334.769 4.172 50 0 EIAARN Cc1nc(SCc2nnc(-c3ccccc3)o2)nc2c1CCCC2 ZINC000006703177 563580777 /nfs/dbraw/zinc/58/07/77/563580777.db2.gz RFCAVCDJILOVBF-UHFFFAOYSA-N 0 0 338.436 4.006 50 0 EIAARN O=C(Nc1cccc(Cl)c1Cl)C(=O)c1c[nH]c2ccccc12 ZINC000006702847 563580803 /nfs/dbraw/zinc/58/08/03/563580803.db2.gz YWHLHLNHDRFJFH-UHFFFAOYSA-N 0 0 333.174 4.296 50 0 EIAARN CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1cccnc1 ZINC000006726012 563582693 /nfs/dbraw/zinc/58/26/93/563582693.db2.gz JKLYQORLBQSZCL-UHFFFAOYSA-N 0 0 348.834 4.445 50 0 EIAARN Cc1csc(NC(=O)CSc2cc(C)c3ccccc3n2)n1 ZINC000006784466 563586538 /nfs/dbraw/zinc/58/65/38/563586538.db2.gz QTORGKNSMCXCDQ-UHFFFAOYSA-N 0 0 329.450 4.039 50 0 EIAARN c1coc(CNc2nc3ccccc3c3nc(-c4ccccc4)nn32)c1 ZINC000006805390 563587229 /nfs/dbraw/zinc/58/72/29/563587229.db2.gz BXMIPYPGVNWKCC-UHFFFAOYSA-N 0 0 341.374 4.150 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000007185152 563596682 /nfs/dbraw/zinc/59/66/82/563596682.db2.gz PRZAJBXBEQIAOE-UHFFFAOYSA-N 0 0 349.261 4.264 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000007185178 563596784 /nfs/dbraw/zinc/59/67/84/563596784.db2.gz HKTXRFBWIYRARZ-UHFFFAOYSA-N 0 0 330.431 4.111 50 0 EIAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)[C@H]1CCCO1 ZINC000007343542 563600040 /nfs/dbraw/zinc/60/00/40/563600040.db2.gz JEJHMKOREBBOIG-MRXNPFEDSA-N 0 0 341.798 4.001 50 0 EIAARN Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1C ZINC000002706931 563603141 /nfs/dbraw/zinc/60/31/41/563603141.db2.gz PZBGBUQEXHEFIS-MRXNPFEDSA-N 0 0 326.421 4.250 50 0 EIAARN CCc1nnc2c(N[C@H](CC)Cc3ccccc3)nc3ccccc3n12 ZINC000007504182 563603214 /nfs/dbraw/zinc/60/32/14/563603214.db2.gz IVOLGMSSKRTSFY-MRXNPFEDSA-N 0 0 345.450 4.273 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1csc2c1CCCC2 ZINC000002708088 563603615 /nfs/dbraw/zinc/60/36/15/563603615.db2.gz NCHRWJHOVDPAMX-UHFFFAOYSA-N 0 0 349.477 4.344 50 0 EIAARN CCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1 ZINC000002720646 563606047 /nfs/dbraw/zinc/60/60/47/563606047.db2.gz QYUSNYNNNVVMIF-UHFFFAOYSA-N 0 0 335.432 4.369 50 0 EIAARN C[C@H](Nc1cnn(Cc2ccccc2)c1)c1nnc(-c2ccccc2)o1 ZINC000097377363 563607904 /nfs/dbraw/zinc/60/79/04/563607904.db2.gz TUTFZQHEQYIFEV-HNNXBMFYSA-N 0 0 345.406 4.155 50 0 EIAARN O=C(COc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002742001 563608631 /nfs/dbraw/zinc/60/86/31/563608631.db2.gz VDLMHPPXJPPWLY-UHFFFAOYSA-N 0 0 344.823 4.481 50 0 EIAARN CCc1ccc(OCc2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000002761325 563610224 /nfs/dbraw/zinc/61/02/24/563610224.db2.gz UXVKPYODKABTQH-UHFFFAOYSA-N 0 0 335.403 4.351 50 0 EIAARN CCC[C@@H](O)c1noc(-c2cccc(OCc3cccc(C)c3)c2)n1 ZINC000097378064 563611218 /nfs/dbraw/zinc/61/12/18/563611218.db2.gz JTKQQAFUVZFFIF-GOSISDBHSA-N 0 0 338.407 4.458 50 0 EIAARN CCCc1cc(C(=O)OC)c(NC(=O)c2csc(CC)c2)s1 ZINC000002784814 563612770 /nfs/dbraw/zinc/61/27/70/563612770.db2.gz LIVRCYMBAPOIJI-UHFFFAOYSA-N 0 0 337.466 4.363 50 0 EIAARN CCOc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2c1 ZINC000002766850 563613776 /nfs/dbraw/zinc/61/37/76/563613776.db2.gz SEHFEUWSOXPZLE-CABCVRRESA-N 0 0 338.432 4.437 50 0 EIAARN O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCCCC1 ZINC000002778795 563614819 /nfs/dbraw/zinc/61/48/19/563614819.db2.gz VEEIRNXZKYMZKF-UHFFFAOYSA-N 0 0 343.393 4.008 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000008023185 563619634 /nfs/dbraw/zinc/61/96/34/563619634.db2.gz QHIAQCCEKSRZBJ-UHFFFAOYSA-N 0 0 336.479 4.255 50 0 EIAARN CCCc1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn12 ZINC000008392265 563629039 /nfs/dbraw/zinc/62/90/39/563629039.db2.gz KLIVAGBKFRFWKG-UHFFFAOYSA-N 0 0 330.457 4.015 50 0 EIAARN Cc1cccc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)c1 ZINC000008706343 563636093 /nfs/dbraw/zinc/63/60/93/563636093.db2.gz WOYNNWBKBINMTG-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN Cc1nn(C[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1C ZINC000008714359 563636398 /nfs/dbraw/zinc/63/63/98/563636398.db2.gz AKSBGZKYCVKEDK-SECBINFHSA-N 0 0 340.254 4.390 50 0 EIAARN Cc1cc(C)n(C[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000008714387 563636407 /nfs/dbraw/zinc/63/64/07/563636407.db2.gz BSRZCCKLHKRNLW-SECBINFHSA-N 0 0 326.227 4.082 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3cc(C)cc(C)c3)nc2c1 ZINC000008715500 563636986 /nfs/dbraw/zinc/63/69/86/563636986.db2.gz GCDPPKICRNTVAN-UHFFFAOYSA-N 0 0 325.437 4.219 50 0 EIAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1cccnc1 ZINC000008718611 563637411 /nfs/dbraw/zinc/63/74/11/563637411.db2.gz JKFUDOXUMNHOSB-UHFFFAOYSA-N 0 0 341.414 4.020 50 0 EIAARN CCCO[C@@H]1CCCN(c2nncc(-c3ccc4ccccc4c3)n2)C1 ZINC000012314173 563657570 /nfs/dbraw/zinc/65/75/70/563657570.db2.gz FZPBVSXEPZUBTG-LJQANCHMSA-N 0 0 348.450 4.087 50 0 EIAARN c1ccc(Cc2noc(CN(Cc3ccccc3)CC3CC3)n2)cc1 ZINC000012585350 563664209 /nfs/dbraw/zinc/66/42/09/563664209.db2.gz NWQYDCWWEPNDLZ-UHFFFAOYSA-N 0 0 333.435 4.073 50 0 EIAARN O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1ccco1 ZINC000032623246 563669826 /nfs/dbraw/zinc/66/98/26/563669826.db2.gz GNJVTGMVSVXTHU-UHFFFAOYSA-N 0 0 349.321 4.388 50 0 EIAARN O=C(Nc1cc(Cl)ccc1Cl)c1cnn(-c2ccccc2)c1 ZINC000012789547 563671258 /nfs/dbraw/zinc/67/12/58/563671258.db2.gz AXDXTYXQJWEZHS-UHFFFAOYSA-N 0 0 332.190 4.431 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1Cl ZINC000012793433 563672073 /nfs/dbraw/zinc/67/20/73/563672073.db2.gz LJYIBGCGVWAXKE-CYBMUJFWSA-N 0 0 333.815 4.371 50 0 EIAARN CCc1cccc2c(C(=O)CN3CCC[C@@H]3c3cccn3C)c[nH]c21 ZINC000012795254 563672798 /nfs/dbraw/zinc/67/27/98/563672798.db2.gz VZWUMMUTIDTFQE-LJQANCHMSA-N 0 0 335.451 4.089 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2nc3ccccc3nc2N2CCCC2)c1 ZINC000032642813 563674814 /nfs/dbraw/zinc/67/48/14/563674814.db2.gz KMEZCJIJZSWXQK-UHFFFAOYSA-N 0 0 346.434 4.099 50 0 EIAARN CCc1cccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)c1 ZINC000032642838 563674838 /nfs/dbraw/zinc/67/48/38/563674838.db2.gz NKZUHJOOUHEMJR-UHFFFAOYSA-N 0 0 346.434 4.045 50 0 EIAARN O=C(c1ccccc1OC(F)F)N1CCCSc2ccccc21 ZINC000032675993 563677401 /nfs/dbraw/zinc/67/74/01/563677401.db2.gz IUKDGWAOPOFWJM-UHFFFAOYSA-N 0 0 335.375 4.431 50 0 EIAARN O=C(c1ccccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012972138 563679291 /nfs/dbraw/zinc/67/92/91/563679291.db2.gz BORPOYYEPPUKJP-CYBMUJFWSA-N 0 0 340.423 4.455 50 0 EIAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)NCC1CC1 ZINC000012972395 563679564 /nfs/dbraw/zinc/67/95/64/563679564.db2.gz IWPWPYLCCLMSEZ-MRXNPFEDSA-N 0 0 339.464 4.071 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccc(C)cc2)cc1 ZINC000012972610 563679614 /nfs/dbraw/zinc/67/96/14/563679614.db2.gz FSJOFAAUJLVNRS-OAHLLOKOSA-N 0 0 327.449 4.458 50 0 EIAARN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012986874 563682388 /nfs/dbraw/zinc/68/23/88/563682388.db2.gz HIZLBGSCGCYJLP-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(C)c(F)c2)c(C)n1Cc1ccco1 ZINC000012994776 563683035 /nfs/dbraw/zinc/68/30/35/563683035.db2.gz ZWQPBSLFFQIGFA-UHFFFAOYSA-N 0 0 326.371 4.446 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(F)c3)cc2)cs1 ZINC000012997443 563683852 /nfs/dbraw/zinc/68/38/52/563683852.db2.gz PHTMOCKCWLJLNV-UHFFFAOYSA-N 0 0 326.396 4.188 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1Cl ZINC000032691443 563685421 /nfs/dbraw/zinc/68/54/21/563685421.db2.gz GKMFGMVBHMFTIN-KRWDZBQOSA-N 0 0 345.826 4.036 50 0 EIAARN Cc1ccc(CN(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000013056795 563686407 /nfs/dbraw/zinc/68/64/07/563686407.db2.gz RNLXNHMKWLJJSI-UHFFFAOYSA-N 0 0 336.357 4.084 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2O)on1 ZINC000013123589 563689292 /nfs/dbraw/zinc/68/92/92/563689292.db2.gz KEZNCIRVRQUVMY-UHFFFAOYSA-N 0 0 348.280 4.318 50 0 EIAARN CC(C)(C)c1nnc2sc(-c3ccc(Cl)cc3Cl)nn21 ZINC000013494615 563699633 /nfs/dbraw/zinc/69/96/33/563699633.db2.gz VTYYLKRXMYKNMF-UHFFFAOYSA-N 0 0 327.240 4.457 50 0 EIAARN CCCN(CCC)C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O ZINC000013520309 563700448 /nfs/dbraw/zinc/70/04/48/563700448.db2.gz UFXXFNHNCYDIKX-UHFFFAOYSA-N 0 0 342.464 4.313 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 ZINC000013550408 563701537 /nfs/dbraw/zinc/70/15/37/563701537.db2.gz PVZSBFPMWUPDEI-UHFFFAOYSA-N 0 0 342.399 4.220 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000013630007 563704763 /nfs/dbraw/zinc/70/47/63/563704763.db2.gz OXTVXXJTTLYODW-UHFFFAOYSA-N 0 0 348.642 4.411 50 0 EIAARN Cc1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)c1 ZINC000032719648 563704799 /nfs/dbraw/zinc/70/47/99/563704799.db2.gz HLHVWOBONCHQIR-UHFFFAOYSA-N 0 0 340.404 4.018 50 0 EIAARN COc1ccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn32)cc1 ZINC000013654094 563707145 /nfs/dbraw/zinc/70/71/45/563707145.db2.gz HYCVTKRWFIRFCX-UHFFFAOYSA-N 0 0 347.403 4.010 50 0 EIAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccsc2)cc1 ZINC000013655428 563707536 /nfs/dbraw/zinc/70/75/36/563707536.db2.gz UITQVAQHNBKARZ-OAHLLOKOSA-N 0 0 339.420 4.374 50 0 EIAARN COc1ccc(Cl)cc1-c1nn2c(nnc2-c2cccs2)s1 ZINC000013689950 563712256 /nfs/dbraw/zinc/71/22/56/563712256.db2.gz XPPNWVDRNGPUOH-UHFFFAOYSA-N 0 0 348.840 4.243 50 0 EIAARN O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCCCC1 ZINC000013725361 563718392 /nfs/dbraw/zinc/71/83/92/563718392.db2.gz OLOVBCZNBSDHOC-UHFFFAOYSA-N 0 0 333.387 4.086 50 0 EIAARN CCOC(=O)c1sc(NC(=O)c2csc3ccccc23)nc1C ZINC000013745813 563720217 /nfs/dbraw/zinc/72/02/17/563720217.db2.gz CKXQMMAYSSPZDG-UHFFFAOYSA-N 0 0 346.433 4.095 50 0 EIAARN COc1ccc([C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C(C)C)cc1 ZINC000032744676 563722138 /nfs/dbraw/zinc/72/21/38/563722138.db2.gz PKRUTURDMKONIP-JXFKEZNVSA-N 0 0 341.451 4.284 50 0 EIAARN O=C(Nc1ccc2ccccc2n1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000032731974 563722264 /nfs/dbraw/zinc/72/22/64/563722264.db2.gz PDZUZUADFVUHMO-GOSISDBHSA-N 0 0 348.402 4.045 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000032747797 563725713 /nfs/dbraw/zinc/72/57/13/563725713.db2.gz BMEHAOMQHNOJCC-UHFFFAOYSA-N 0 0 349.434 4.431 50 0 EIAARN Fc1ccc(CN(Cc2cn3cc(Cl)ccc3n2)C2CC2)cc1 ZINC000032759705 563726479 /nfs/dbraw/zinc/72/64/79/563726479.db2.gz TXKXFMNJHYVCMU-UHFFFAOYSA-N 0 0 329.806 4.291 50 0 EIAARN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000013847371 563726488 /nfs/dbraw/zinc/72/64/88/563726488.db2.gz AJLKPGVIAZYLOI-YJBOKZPZSA-N 0 0 329.415 4.121 50 0 EIAARN Cc1ccc([C@H]2CCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000032754137 563727584 /nfs/dbraw/zinc/72/75/84/563727584.db2.gz DHYDKFSOLCNUPD-GOSISDBHSA-N 0 0 337.419 4.020 50 0 EIAARN Cc1ccc(C)c(OCC(=O)NCc2ccc(C(F)(F)F)cc2)c1 ZINC000032755839 563728075 /nfs/dbraw/zinc/72/80/75/563728075.db2.gz ZRGDIPKMUMFLIE-UHFFFAOYSA-N 0 0 337.341 4.017 50 0 EIAARN O=C(Nc1ccc(Cl)cn1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000004492325 563733892 /nfs/dbraw/zinc/73/38/92/563733892.db2.gz LCCCEXQBOUOSBL-CHWSQXEVSA-N 0 0 341.625 4.261 50 0 EIAARN CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000032802919 563739177 /nfs/dbraw/zinc/73/91/77/563739177.db2.gz CRKRTCGKYSQMRO-OCCSQVGLSA-N 0 0 332.341 4.088 50 0 EIAARN O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCc2ccccc21 ZINC000014112121 563741790 /nfs/dbraw/zinc/74/17/90/563741790.db2.gz UORSVCPZRDPTFC-UHFFFAOYSA-N 0 0 338.407 4.081 50 0 EIAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCC2 ZINC000014115740 563742092 /nfs/dbraw/zinc/74/20/92/563742092.db2.gz VJHXRKPMEOVZAH-UHFFFAOYSA-N 0 0 333.431 4.266 50 0 EIAARN CCn1c(Cc2cccs2)nnc1SCc1cccc(OC)c1 ZINC000014112948 563742097 /nfs/dbraw/zinc/74/20/97/563742097.db2.gz CWOGJOPOPXHFEO-UHFFFAOYSA-N 0 0 345.493 4.251 50 0 EIAARN Cc1c(CSc2nnc(C(C)C)[nH]2)noc1-c1ccc(F)cc1 ZINC000014125422 563743204 /nfs/dbraw/zinc/74/32/04/563743204.db2.gz OSTWWSYLZHUCOT-UHFFFAOYSA-N 0 0 332.404 4.323 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000014159262 563745630 /nfs/dbraw/zinc/74/56/30/563745630.db2.gz IQAPFVLUUGTKQT-UHFFFAOYSA-N 0 0 343.839 4.348 50 0 EIAARN C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N1CCC[C@H](C)C1 ZINC000014186437 563748490 /nfs/dbraw/zinc/74/84/90/563748490.db2.gz GPCPYXWKQMVFMV-RYUDHWBXSA-N 0 0 343.452 4.038 50 0 EIAARN C[C@H]1CCCCN1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000014193807 563748892 /nfs/dbraw/zinc/74/88/92/563748892.db2.gz UQQJOQYYLGMZDC-LBPRGKRZSA-N 0 0 349.887 4.276 50 0 EIAARN Cc1nc(SCC(=O)NC2CCCCCCC2)n(C2CC2)c1C ZINC000032810112 563752448 /nfs/dbraw/zinc/75/24/48/563752448.db2.gz FTGUMYYGSLYVFQ-UHFFFAOYSA-N 0 0 335.517 4.156 50 0 EIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC1CCC(C)CC1 ZINC000014232158 563752737 /nfs/dbraw/zinc/75/27/37/563752737.db2.gz CGIFUTPUOMIOQS-UHFFFAOYSA-N 0 0 340.471 4.198 50 0 EIAARN O=S(=O)(Nc1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1 ZINC000014245831 563754823 /nfs/dbraw/zinc/75/48/23/563754823.db2.gz IGAPMDBPFHCSJS-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN O=C(Nc1nc2ccccc2s1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000032826737 563756769 /nfs/dbraw/zinc/75/67/69/563756769.db2.gz VCOKZLDNDSEAOV-UHFFFAOYSA-N 0 0 338.367 4.078 50 0 EIAARN CC[C@H](NC(=O)c1cccc2c1O[C@H](C)[C@@H]2C)c1ccc(OC)cc1 ZINC000032820321 563757528 /nfs/dbraw/zinc/75/75/28/563757528.db2.gz PLQXICAWNYECQA-KSMMKXTCSA-N 0 0 339.435 4.461 50 0 EIAARN Cc1sc2ncnc(N[C@H](C)c3ccc4c(c3)OCO4)c2c1C ZINC000014317785 563758134 /nfs/dbraw/zinc/75/81/34/563758134.db2.gz BVOPEIKOUGSCHP-SNVBAGLBSA-N 0 0 327.409 4.210 50 0 EIAARN CC[C@H](C(=O)Nc1ccc(C(=O)OC(C)C)cc1)c1ccccc1 ZINC000014421738 563759006 /nfs/dbraw/zinc/75/90/06/563759006.db2.gz OBFZHBHHLKTKPT-SFHVURJKSA-N 0 0 325.408 4.384 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2cccc(Cl)c2)on1 ZINC000032830211 563759210 /nfs/dbraw/zinc/75/92/10/563759210.db2.gz QHEYMDZKELNGCF-UHFFFAOYSA-N 0 0 338.754 4.124 50 0 EIAARN O=C(Nc1ccccc1)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000014555601 563760518 /nfs/dbraw/zinc/76/05/18/563760518.db2.gz YHLZTVINDLDNMX-UHFFFAOYSA-N 0 0 337.423 4.347 50 0 EIAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1csc2c1CCCC2 ZINC000032844981 563761549 /nfs/dbraw/zinc/76/15/49/563761549.db2.gz DDKSOERKHXXIHS-UHFFFAOYSA-N 0 0 335.432 4.336 50 0 EIAARN O=C(NCc1ccccc1Cn1ccnc1)c1cccc2ccccc21 ZINC000032855870 563763377 /nfs/dbraw/zinc/76/33/77/563763377.db2.gz OUJGMYFMYUBQJE-UHFFFAOYSA-N 0 0 341.414 4.015 50 0 EIAARN O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc2ccccc2c1 ZINC000014847960 563765721 /nfs/dbraw/zinc/76/57/21/563765721.db2.gz YCIKORFDQLBDNE-UHFFFAOYSA-N 0 0 327.387 4.207 50 0 EIAARN O=C(COc1ccc(Nc2ccccc2)cc1)N1CCc2ccccc21 ZINC000014909098 563767332 /nfs/dbraw/zinc/76/73/32/563767332.db2.gz UEBVLCWGVWSKSG-UHFFFAOYSA-N 0 0 344.414 4.398 50 0 EIAARN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000015055833 563774309 /nfs/dbraw/zinc/77/43/09/563774309.db2.gz IXTOZTHYDCUXSC-DHDCSXOGSA-N 0 0 345.807 4.243 50 0 EIAARN O=C1C[C@H](c2ccc(O)cc2)c2sc(Nc3ccccc3)nc2N1 ZINC000015109987 563778326 /nfs/dbraw/zinc/77/83/26/563778326.db2.gz KJBZXDDERLSQMH-CQSZACIVSA-N 0 0 337.404 4.066 50 0 EIAARN O=c1cc(C(F)(F)F)oc2c(Br)cc(Cl)cc12 ZINC000015109303 563778347 /nfs/dbraw/zinc/77/83/47/563778347.db2.gz DSNBTBOPOMXYKG-UHFFFAOYSA-N 0 0 327.483 4.228 50 0 EIAARN COC(=O)c1ccccc1SCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000015108560 563778392 /nfs/dbraw/zinc/77/83/92/563778392.db2.gz ISLPTAGGZGBKNX-UHFFFAOYSA-N 0 0 344.476 4.351 50 0 EIAARN O=C(CNc1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1cccs1 ZINC000015291904 563781350 /nfs/dbraw/zinc/78/13/50/563781350.db2.gz OGDNOPTVEGEJKV-CQSZACIVSA-N 0 0 338.835 4.316 50 0 EIAARN O=C(Nc1nc2c(ccc3ccccc23)s1)[C@H]1Cc2ccccc2O1 ZINC000015588664 563788008 /nfs/dbraw/zinc/78/80/08/563788008.db2.gz ZQNCYCWYQUAQPB-MRXNPFEDSA-N 0 0 346.411 4.392 50 0 EIAARN CN(C(=O)COc1ccc2ccccc2c1)[C@H]1CCc2ccccc21 ZINC000032905621 563791875 /nfs/dbraw/zinc/79/18/75/563791875.db2.gz UIYQUPAWHZWUHU-NRFANRHFSA-N 0 0 331.415 4.365 50 0 EIAARN Cc1ccc2cccc(NC(=O)COc3cccc(Cl)c3)c2n1 ZINC000015835308 563794078 /nfs/dbraw/zinc/79/40/78/563794078.db2.gz BJPQLZQYPPTKHO-UHFFFAOYSA-N 0 0 326.783 4.214 50 0 EIAARN COc1cc(NC(=O)N2CCC[C@H]2c2cccs2)cc(OC)c1 ZINC000015837670 563794435 /nfs/dbraw/zinc/79/44/35/563794435.db2.gz RCOVKKCSLIQUTD-HNNXBMFYSA-N 0 0 332.425 4.134 50 0 EIAARN Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2F)c2cccnc2)c1 ZINC000015839869 563795137 /nfs/dbraw/zinc/79/51/37/563795137.db2.gz RLCNFDFYONHOQC-FQEVSTJZSA-N 0 0 334.394 4.357 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000015934601 563800526 /nfs/dbraw/zinc/80/05/26/563800526.db2.gz XZRMCLAOYHDATQ-HXUWFJFHSA-N 0 0 338.451 4.473 50 0 EIAARN O=C(Nc1cccc2ncccc21)c1ccc(Br)s1 ZINC000015980093 563801674 /nfs/dbraw/zinc/80/16/74/563801674.db2.gz CRLWQUMUBKJDBI-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN CN(CCOc1ccccc1)c1nc(C(F)(F)F)nc2ccccc21 ZINC000016046814 563802841 /nfs/dbraw/zinc/80/28/41/563802841.db2.gz GZCOHEHTVKOOHW-UHFFFAOYSA-N 0 0 347.340 4.164 50 0 EIAARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 ZINC000016129602 563804349 /nfs/dbraw/zinc/80/43/49/563804349.db2.gz MOJGGLWPDVTNGO-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NC)n2C ZINC000016162166 563805176 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Cc1cc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(C)s2)no1 ZINC000016602614 563815721 /nfs/dbraw/zinc/81/57/21/563815721.db2.gz XIVWDVIYXUJALK-UHFFFAOYSA-N 0 0 327.409 4.284 50 0 EIAARN C[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000016694736 563821090 /nfs/dbraw/zinc/82/10/90/563821090.db2.gz UOUNBQFJJVKJJQ-HUUCEWRRSA-N 0 0 347.462 4.214 50 0 EIAARN CC(CNC(=O)Cc1cccc(F)c1)(c1ccccc1)c1ccccc1 ZINC000016966909 563827489 /nfs/dbraw/zinc/82/74/89/563827489.db2.gz UDEYNRWWWFNXPQ-UHFFFAOYSA-N 0 0 347.433 4.491 50 0 EIAARN O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000016971934 563827557 /nfs/dbraw/zinc/82/75/57/563827557.db2.gz CHGABYVNUNQKCL-DHDCSXOGSA-N 0 0 345.807 4.243 50 0 EIAARN Cc1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 ZINC000032924750 563827627 /nfs/dbraw/zinc/82/76/27/563827627.db2.gz GJIMQEAILVLHOD-UHFFFAOYSA-N 0 0 336.366 4.251 50 0 EIAARN Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)C[C@@H](C)C2 ZINC000017027330 563829523 /nfs/dbraw/zinc/82/95/23/563829523.db2.gz APSMRPWKIJJWLP-VIFPVBQESA-N 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JKMZRSXVUSYMEQ-GXDHUFHOSA-N 0 0 329.471 4.327 50 0 EIAARN CC(=O)[C@H](C)OC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000022142120 563862236 /nfs/dbraw/zinc/86/22/36/563862236.db2.gz KQNCLDUSVGKUEY-AWEZNQCLSA-N 0 0 341.432 4.200 50 0 EIAARN COc1ccc(CC[C@@H](C)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012383441 563863503 /nfs/dbraw/zinc/86/35/03/563863503.db2.gz XNAXAQOSEYQXIF-CQSZACIVSA-N 0 0 345.439 4.154 50 0 EIAARN Cc1ccc(C(=O)c2sc(Nc3ccccc3F)nc2N)c(C)c1 ZINC000032947767 563864658 /nfs/dbraw/zinc/86/46/58/563864658.db2.gz XTWOHKSOVJUZRZ-UHFFFAOYSA-N 0 0 341.411 4.456 50 0 EIAARN O=C(CSCCC12CC3CC(CC(C3)C1)C2)NCc1ccco1 ZINC000024073030 563869033 /nfs/dbraw/zinc/86/90/33/563869033.db2.gz PQQXNHZVCZNJNG-UHFFFAOYSA-N 0 0 333.497 4.236 50 0 EIAARN CCc1cc(C(=O)Nc2cccc(-c3nncn3CC)c2)sc1C ZINC000024581206 563872869 /nfs/dbraw/zinc/87/28/69/563872869.db2.gz HBXBODXULCWGFK-UHFFFAOYSA-N 0 0 340.452 4.150 50 0 EIAARN Cc1ccccc1CSCCNC(=O)CSc1ccccc1 ZINC000024606013 563873276 /nfs/dbraw/zinc/87/32/76/563873276.db2.gz YEQRRWFDLRZIKJ-UHFFFAOYSA-N 0 0 331.506 4.137 50 0 EIAARN O=C(CSc1nc2ccccc2[nH]1)N(C1=CCCCC1)C1CC1 ZINC000024658853 563873854 /nfs/dbraw/zinc/87/38/54/563873854.db2.gz AIZCUQHSJIIOLU-UHFFFAOYSA-N 0 0 327.453 4.104 50 0 EIAARN Cc1cc(Sc2ccccc2Cl)n2nc(C(F)(F)F)nc2n1 ZINC000024832438 563876254 /nfs/dbraw/zinc/87/62/54/563876254.db2.gz ATSAOSCZMOLOMK-UHFFFAOYSA-N 0 0 344.749 4.256 50 0 EIAARN Cc1cc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)on1 ZINC000024838272 563876588 /nfs/dbraw/zinc/87/65/88/563876588.db2.gz BSYQVHNLJXYHDY-UHFFFAOYSA-N 0 0 341.364 4.160 50 0 EIAARN COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1Cl ZINC000024986000 563879196 /nfs/dbraw/zinc/87/91/96/563879196.db2.gz PLUMJHGFCSMQCQ-UHFFFAOYSA-N 0 0 347.827 4.492 50 0 EIAARN Cc1c2ccccc2oc1C(=O)COC(=O)c1ccc(F)c(F)c1 ZINC000025016387 563879937 /nfs/dbraw/zinc/87/99/37/563879937.db2.gz YXCCTMJKTVRHLP-UHFFFAOYSA-N 0 0 330.286 4.059 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000025042779 563879999 /nfs/dbraw/zinc/87/99/99/563879999.db2.gz FNUNRSAPCGUTCI-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000025091045 563880917 /nfs/dbraw/zinc/88/09/17/563880917.db2.gz CZZCJKDCBFUYIS-UHFFFAOYSA-N 0 0 339.826 4.392 50 0 EIAARN CCn1cnnc1-c1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000025284329 563882924 /nfs/dbraw/zinc/88/29/24/563882924.db2.gz FBIHNCYXFOBPNS-UHFFFAOYSA-N 0 0 344.777 4.010 50 0 EIAARN C[C@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(F)c1 ZINC000025482505 563885321 /nfs/dbraw/zinc/88/53/21/563885321.db2.gz JISAHGWAECFYJV-JTQLQIEISA-N 0 0 342.292 4.163 50 0 EIAARN O=C(c1ccc2ncsc2c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025535091 563885738 /nfs/dbraw/zinc/88/57/38/563885738.db2.gz YUMDVYPTYQWMHI-INIZCTEOSA-N 0 0 326.396 4.413 50 0 EIAARN Fc1ccc(-c2nc(CSc3nnc(NC4CC4)s3)co2)cc1 ZINC000025577970 563886055 /nfs/dbraw/zinc/88/60/55/563886055.db2.gz UCKLBNJIVIPWBE-UHFFFAOYSA-N 0 0 348.428 4.199 50 0 EIAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1Cc2ccccc2O1 ZINC000025623391 563886719 /nfs/dbraw/zinc/88/67/19/563886719.db2.gz PIHYXGFZZJJXRG-IRLDBZIGSA-N 0 0 343.426 4.090 50 0 EIAARN COc1cccc2cc([C@@H](C)NC(=O)c3cn(C)c4ccccc34)oc21 ZINC000025734109 563887660 /nfs/dbraw/zinc/88/76/60/563887660.db2.gz GRMYFVNIOZLOSO-CYBMUJFWSA-N 0 0 348.402 4.424 50 0 EIAARN ON1c2cc(Cl)c(Cl)cc2NN=C1c1c(F)cccc1F ZINC000025759658 563888041 /nfs/dbraw/zinc/88/80/41/563888041.db2.gz RKJJEBKIMXVUKT-UHFFFAOYSA-N 0 0 330.121 4.255 50 0 EIAARN O=C(Cc1cccs1)Nc1ccccc1N1CCc2ccccc2C1 ZINC000025798282 563888672 /nfs/dbraw/zinc/88/86/72/563888672.db2.gz FUUXJRZZJIBIIY-UHFFFAOYSA-N 0 0 348.471 4.492 50 0 EIAARN CN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000026295324 563890767 /nfs/dbraw/zinc/89/07/67/563890767.db2.gz GPCQIZSFZDGULR-JSGCOSHPSA-N 0 0 332.341 4.088 50 0 EIAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000026379262 563891023 /nfs/dbraw/zinc/89/10/23/563891023.db2.gz WKZUOJZEVLTDAD-CABCVRRESA-N 0 0 339.439 4.075 50 0 EIAARN CCC(=O)NC(Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000026342879 563891105 /nfs/dbraw/zinc/89/11/05/563891105.db2.gz GRKLGWATZABFBI-UHFFFAOYSA-N 0 0 348.674 4.099 50 0 EIAARN COc1cc(OC)c(NC(=O)c2ccc(CSC)o2)cc1Cl ZINC000026562065 563892202 /nfs/dbraw/zinc/89/22/02/563892202.db2.gz NPRFNYSQNICFGG-UHFFFAOYSA-N 0 0 341.816 4.066 50 0 EIAARN Cc1csc(C2(NC(=O)CCC(=O)c3cccs3)CCCC2)n1 ZINC000069979747 563892715 /nfs/dbraw/zinc/89/27/15/563892715.db2.gz KQBFNIIKUBJVPK-UHFFFAOYSA-N 0 0 348.493 4.062 50 0 EIAARN O=C(Nc1cccc2c[nH]nc21)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000026873258 563893372 /nfs/dbraw/zinc/89/33/72/563893372.db2.gz BWOYFVYGFYHPIJ-UHFFFAOYSA-N 0 0 330.391 4.175 50 0 EIAARN O=C(c1cc(-c2ccco2)on1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000026807157 563893393 /nfs/dbraw/zinc/89/33/93/563893393.db2.gz SSBWRKWRSIHULV-HNNXBMFYSA-N 0 0 326.327 4.051 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(OCc2cscn2)c1 ZINC000026981246 563894432 /nfs/dbraw/zinc/89/44/32/563894432.db2.gz YKRJVHMJJDFKQH-GUYCJALGSA-N 0 0 330.453 4.031 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)cc1 ZINC000027396455 563895667 /nfs/dbraw/zinc/89/56/67/563895667.db2.gz KLNCXRCAGCYRSW-MRXNPFEDSA-N 0 0 327.449 4.223 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)no2)cc1C ZINC000027582505 563897160 /nfs/dbraw/zinc/89/71/60/563897160.db2.gz GPNNWZGKIMXBQG-UHFFFAOYSA-N 0 0 342.424 4.186 50 0 EIAARN Cc1ccccc1OCC(=O)N(Cc1cccs1)c1ccccn1 ZINC000027584642 563897365 /nfs/dbraw/zinc/89/73/65/563897365.db2.gz YAZRQTWMNOGRRP-UHFFFAOYSA-N 0 0 338.432 4.064 50 0 EIAARN Cc1ccnc(NC(=O)COC(c2ccccc2)c2ccccc2)c1 ZINC000027648065 563898073 /nfs/dbraw/zinc/89/80/73/563898073.db2.gz BUOXXMVQXOOIDZ-UHFFFAOYSA-N 0 0 332.403 4.135 50 0 EIAARN COc1ccc(CN(C(=O)c2ccc(C)cc2)c2ccccn2)cc1 ZINC000027662322 563898139 /nfs/dbraw/zinc/89/81/39/563898139.db2.gz OYESDZMIQBKZKP-UHFFFAOYSA-N 0 0 332.403 4.246 50 0 EIAARN Cc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)cc1 ZINC000027989118 563900675 /nfs/dbraw/zinc/90/06/75/563900675.db2.gz JKDJVPSMYYNPPM-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1Cl ZINC000027992561 563900849 /nfs/dbraw/zinc/90/08/49/563900849.db2.gz GZVDCOJDACTOPE-UHFFFAOYSA-N 0 0 342.851 4.436 50 0 EIAARN Cc1nc(CCNC(=O)c2oc3ccc(Cl)cc3c2C)cs1 ZINC000027991647 563900917 /nfs/dbraw/zinc/90/09/17/563900917.db2.gz YDLNGZOFYNKRNJ-UHFFFAOYSA-N 0 0 334.828 4.132 50 0 EIAARN C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 ZINC000028008668 563901092 /nfs/dbraw/zinc/90/10/92/563901092.db2.gz IMWOQAPVTFAGPZ-HNNXBMFYSA-N 0 0 326.465 4.406 50 0 EIAARN CCSc1ncc(Cl)c(-c2nnc(-c3ccc(C)cc3)o2)n1 ZINC000027995612 563901123 /nfs/dbraw/zinc/90/11/23/563901123.db2.gz QNKWZWSVBXXQTR-UHFFFAOYSA-N 0 0 332.816 4.267 50 0 EIAARN CSc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1 ZINC000028051566 563901425 /nfs/dbraw/zinc/90/14/25/563901425.db2.gz XSHXAXFMMQZLNH-UHFFFAOYSA-N 0 0 340.278 4.005 50 0 EIAARN CCCOc1ccccc1C(=O)Nc1ccnn1Cc1ccc(C)cc1 ZINC000028292232 563902308 /nfs/dbraw/zinc/90/23/08/563902308.db2.gz GGFIPTHCTQZCNX-UHFFFAOYSA-N 0 0 349.434 4.281 50 0 EIAARN Cc1nn(C)c(C)c1[C@H](C)NCc1csc(-c2ccsc2)n1 ZINC000072274492 563902607 /nfs/dbraw/zinc/90/26/07/563902607.db2.gz UARKUBBMAPKRPY-JTQLQIEISA-N 0 0 332.498 4.073 50 0 EIAARN COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000028886412 563904445 /nfs/dbraw/zinc/90/44/45/563904445.db2.gz XUGSPERSQBCGJK-UHFFFAOYSA-N 0 0 341.363 4.043 50 0 EIAARN O=C(Nc1nc2ccc(F)cc2s1)c1c[nH]nc1-c1ccccc1 ZINC000029113282 563905018 /nfs/dbraw/zinc/90/50/18/563905018.db2.gz GFFCBXGXGDXFBZ-UHFFFAOYSA-N 0 0 338.367 4.078 50 0 EIAARN CC[C@H](C(=O)OCC(=O)Nc1cccc(C(C)C)c1)c1ccccc1 ZINC000029295584 563905587 /nfs/dbraw/zinc/90/55/87/563905587.db2.gz OLEUIRIUMYKTLT-IBGZPJMESA-N 0 0 339.435 4.486 50 0 EIAARN C[C@H]1CCCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C1 ZINC000029509793 563907058 /nfs/dbraw/zinc/90/70/58/563907058.db2.gz IKRBDGXMXFLLST-ZDUSSCGKSA-N 0 0 346.521 4.200 50 0 EIAARN CCOC(=O)c1ccc(NCc2c(OC)ccc3ccccc32)nc1 ZINC000029528489 563907191 /nfs/dbraw/zinc/90/71/91/563907191.db2.gz AFMSXQINEXDJDO-UHFFFAOYSA-N 0 0 336.391 4.032 50 0 EIAARN Fc1ccc([C@@H]2CN(Cc3cc(-c4cccs4)on3)CCO2)cc1 ZINC000029657573 563907792 /nfs/dbraw/zinc/90/77/92/563907792.db2.gz LVPXVEDFENXEOB-KRWDZBQOSA-N 0 0 344.411 4.116 50 0 EIAARN CCCC(=O)NCC(=O)Nc1ccc(-c2ccc(CCC)cc2)cc1 ZINC000072287615 563907842 /nfs/dbraw/zinc/90/78/42/563907842.db2.gz LXCRVHPSSKNOKD-UHFFFAOYSA-N 0 0 338.451 4.161 50 0 EIAARN COc1c(Cl)cc(NC(=O)[C@@H](C)OC2CCCC2)cc1Cl ZINC000070815882 563909852 /nfs/dbraw/zinc/90/98/52/563909852.db2.gz YTJMRAQOHXCTKM-SECBINFHSA-N 0 0 332.227 4.288 50 0 EIAARN O=C(NCCc1coc(-c2ccccc2)n1)c1c(F)cccc1Cl ZINC000071184930 563913790 /nfs/dbraw/zinc/91/37/90/563913790.db2.gz DLTVIBPFXHDLRG-UHFFFAOYSA-N 0 0 344.773 4.107 50 0 EIAARN O=C(N[C@H](c1ccccn1)C1CCCC1)c1ccc(Br)o1 ZINC000072303696 563914394 /nfs/dbraw/zinc/91/43/94/563914394.db2.gz UBORIIIYXWULCE-HNNXBMFYSA-N 0 0 349.228 4.098 50 0 EIAARN COc1ccc(CN2C[C@H](C)OC(C)(C)C2)cc1SC(F)(F)F ZINC000072304871 563914506 /nfs/dbraw/zinc/91/45/06/563914506.db2.gz BKZOBNBDPCOUOU-NSHDSACASA-N 0 0 349.418 4.306 50 0 EIAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(F)cc1F ZINC000033087357 563915253 /nfs/dbraw/zinc/91/52/53/563915253.db2.gz NHXBBANFRXACEE-CQSZACIVSA-N 0 0 335.354 4.193 50 0 EIAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1cccc(Cl)c1)c3=O ZINC000033088857 563915264 /nfs/dbraw/zinc/91/52/64/563915264.db2.gz KHMWQJAPCTZQSH-NSHDSACASA-N 0 0 338.794 4.024 50 0 EIAARN CC[C@H](c1ccncc1)N(CC)C(=O)c1occc1Br ZINC000177434519 563916131 /nfs/dbraw/zinc/91/61/31/563916131.db2.gz TVKJTMZUOBLMOG-CYBMUJFWSA-N 0 0 337.217 4.051 50 0 EIAARN CC[C@@H](NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1)c1cccs1 ZINC000177435118 563916150 /nfs/dbraw/zinc/91/61/50/563916150.db2.gz JHFQKAQWDOPFOT-CHWSQXEVSA-N 0 0 348.472 4.252 50 0 EIAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc3ccccc32)c1 ZINC000000509805 563917612 /nfs/dbraw/zinc/91/76/12/563917612.db2.gz HFYBFMSJGVNMCW-CQSZACIVSA-N 0 0 335.403 4.348 50 0 EIAARN COc1ccc(-c2cc(C3CC3)nc3sc4c(ncnc4N)c32)cc1 ZINC000001510106 563917959 /nfs/dbraw/zinc/91/79/59/563917959.db2.gz MOPSYKYLGFNDKW-UHFFFAOYSA-N 0 0 348.431 4.375 50 0 EIAARN CC(=O)c1c(C)nn([C@H](C)CC(=O)Nc2cc(Cl)ccc2C)c1C ZINC000006702752 563919224 /nfs/dbraw/zinc/91/92/24/563919224.db2.gz UMTXPVDDXLBOPS-LLVKDONJSA-N 0 0 347.846 4.254 50 0 EIAARN Cc1ccc(-c2cc(OCC(=O)NC(C)C)c3ccccc3n2)cc1 ZINC000032985889 563920713 /nfs/dbraw/zinc/92/07/13/563920713.db2.gz XNXZDLFGPMJVLB-UHFFFAOYSA-N 0 0 334.419 4.114 50 0 EIAARN O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1cc(F)cc(F)c1 ZINC000097938590 563923055 /nfs/dbraw/zinc/92/30/55/563923055.db2.gz WUOPVRYOSNLVQK-UHFFFAOYSA-N 0 0 345.736 4.328 50 0 EIAARN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000041095105 563924212 /nfs/dbraw/zinc/92/42/12/563924212.db2.gz NDCSYHDBIGWCFN-CQSZACIVSA-N 0 0 347.480 4.032 50 0 EIAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc(Cl)cc1 ZINC000044916353 563928312 /nfs/dbraw/zinc/92/83/12/563928312.db2.gz MLBHXIKYVLSHTO-INIZCTEOSA-N 0 0 341.798 4.320 50 0 EIAARN CC(=O)Nc1nc2cc(NC(=O)CC3CCCCC3)ccc2s1 ZINC000033020098 563928859 /nfs/dbraw/zinc/92/88/59/563928859.db2.gz MOHLKCMKWLIBQD-UHFFFAOYSA-N 0 0 331.441 4.164 50 0 EIAARN c1ccc2c(c1)cccc2-c1nn2c(nnc2-c2ccncc2)s1 ZINC000045221547 563928971 /nfs/dbraw/zinc/92/89/71/563928971.db2.gz DQDKKVJPRGJDBM-UHFFFAOYSA-N 0 0 329.388 4.068 50 0 EIAARN Cc1csc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)n1 ZINC000072022980 563929770 /nfs/dbraw/zinc/92/97/70/563929770.db2.gz KRNPBIVBCFYIGR-VOTSOKGWSA-N 0 0 328.315 4.002 50 0 EIAARN COCCN(C(=S)Nc1c(C)cccc1C)[C@@H](C)c1ccco1 ZINC000013543371 563929838 /nfs/dbraw/zinc/92/98/38/563929838.db2.gz CPZDOUZIIVENRN-HNNXBMFYSA-N 0 0 332.469 4.303 50 0 EIAARN COCCN(C(=S)Nc1ccc(C)c(C)c1)[C@H](C)c1ccco1 ZINC000013543432 563929860 /nfs/dbraw/zinc/92/98/60/563929860.db2.gz VXBJAJNAEFZEHR-OAHLLOKOSA-N 0 0 332.469 4.303 50 0 EIAARN CCCCCC(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000048422299 563930385 /nfs/dbraw/zinc/93/03/85/563930385.db2.gz KVSXQUQQUTVGHI-UHFFFAOYSA-N 0 0 332.492 4.070 50 0 EIAARN O=C(NCCCn1ccc2ccccc21)c1ccc2ncsc2c1 ZINC000033028405 563931659 /nfs/dbraw/zinc/93/16/59/563931659.db2.gz QRSZVQCPVZJTLC-UHFFFAOYSA-N 0 0 335.432 4.071 50 0 EIAARN COc1ccc([C@H](c2ccccc2)N(Cc2ccco2)C(C)=O)cc1 ZINC000013729393 563932454 /nfs/dbraw/zinc/93/24/54/563932454.db2.gz PUHLOALWCHAFHJ-NRFANRHFSA-N 0 0 335.403 4.426 50 0 EIAARN Cc1ccc(C)c(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000055060283 563933472 /nfs/dbraw/zinc/93/34/72/563933472.db2.gz FRVYTYRUFUFCRO-RMKNXTFCSA-N 0 0 349.478 4.166 50 0 EIAARN Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2)n1 ZINC000058006457 563936496 /nfs/dbraw/zinc/93/64/96/563936496.db2.gz VVFATBPOBHEONV-UHFFFAOYSA-N 0 0 337.398 4.248 50 0 EIAARN CCOc1ccccc1-c1nnc(SCc2ccnc(Cl)c2)o1 ZINC000058008427 563936597 /nfs/dbraw/zinc/93/65/97/563936597.db2.gz SKJFGJZMVFNZRR-UHFFFAOYSA-N 0 0 347.827 4.476 50 0 EIAARN Cc1ccc(NC(=O)NCc2ccoc2)c(OCc2ccccc2)c1 ZINC000058009172 563936625 /nfs/dbraw/zinc/93/66/25/563936625.db2.gz ZRGVVTBDHNCISB-UHFFFAOYSA-N 0 0 336.391 4.489 50 0 EIAARN CC(=O)c1cnn(CN(C)C(c2ccccc2)c2ccccc2)c1C ZINC000058080495 563937176 /nfs/dbraw/zinc/93/71/76/563937176.db2.gz OXDPPMQSFKCVGD-UHFFFAOYSA-N 0 0 333.435 4.073 50 0 EIAARN CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(OC(C)C)nc2)c1 ZINC000058107485 563937529 /nfs/dbraw/zinc/93/75/29/563937529.db2.gz XSDNNGAZQCMORT-OAHLLOKOSA-N 0 0 342.439 4.147 50 0 EIAARN C[C@@H]1CCCN(Cn2nc(Nc3ccccc3F)sc2=S)C1 ZINC000058164440 563938601 /nfs/dbraw/zinc/93/86/01/563938601.db2.gz NXJMWZQIEJLOMT-LLVKDONJSA-N 0 0 338.477 4.246 50 0 EIAARN CCCCN(C)c1ccc(C(=O)N(C)Cc2cccc(OC)c2)cc1 ZINC000058178947 563939159 /nfs/dbraw/zinc/93/91/59/563939159.db2.gz BOOWTMKSKVWLPJ-UHFFFAOYSA-N 0 0 340.467 4.204 50 0 EIAARN COc1cccc(-c2csc(Cc3cn4cccc(C)c4n3)n2)c1 ZINC000058203008 563939741 /nfs/dbraw/zinc/93/97/41/563939741.db2.gz MVUUPDZUKVRLRZ-UHFFFAOYSA-N 0 0 335.432 4.366 50 0 EIAARN Cc1occc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000058210909 563939964 /nfs/dbraw/zinc/93/99/64/563939964.db2.gz LVMSNGFBGRKKCW-UHFFFAOYSA-N 0 0 326.377 4.154 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000058226611 563940354 /nfs/dbraw/zinc/94/03/54/563940354.db2.gz BLDQDLSHJDHVDA-DYZYQPBXSA-N 0 0 332.831 4.316 50 0 EIAARN CC(C)c1nnc(CN2CCc3sccc3[C@@H]2c2ccccc2)o1 ZINC000058245998 563940794 /nfs/dbraw/zinc/94/07/94/563940794.db2.gz RKEVQGKKHRIKRZ-SFHVURJKSA-N 0 0 339.464 4.402 50 0 EIAARN O=C(Nc1ccc(-c2nnco2)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000058292069 563941855 /nfs/dbraw/zinc/94/18/55/563941855.db2.gz AFAWWCSVVWEPIE-UHFFFAOYSA-N 0 0 338.754 4.124 50 0 EIAARN COC(=O)c1cccc(C(=O)N[C@H](c2cccs2)C2CCCC2)c1 ZINC000058305214 563942069 /nfs/dbraw/zinc/94/20/69/563942069.db2.gz MCCWFDOTSQADTK-KRWDZBQOSA-N 0 0 343.448 4.196 50 0 EIAARN Cc1cnn(CC2CC2)c1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000058329352 563942694 /nfs/dbraw/zinc/94/26/94/563942694.db2.gz KGQBVTOIJSZNLQ-UHFFFAOYSA-N 0 0 342.201 4.300 50 0 EIAARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccs1 ZINC000058342881 563943009 /nfs/dbraw/zinc/94/30/09/563943009.db2.gz VLGQATQWXRPSLI-UHFFFAOYSA-N 0 0 326.421 4.108 50 0 EIAARN CCCn1ccc2cc(NC(=O)c3cnc4onc(C)c4c3)ccc21 ZINC000058363166 563943799 /nfs/dbraw/zinc/94/37/99/563943799.db2.gz YRNYCFDFDOUASV-UHFFFAOYSA-N 0 0 334.379 4.148 50 0 EIAARN O=C(Cc1csc(-c2cccnc2)n1)N[C@@H](c1ccccc1)C1CC1 ZINC000058366473 563943889 /nfs/dbraw/zinc/94/38/89/563943889.db2.gz BNICDQLCDAHISF-IBGZPJMESA-N 0 0 349.459 4.015 50 0 EIAARN COc1cc(C(=O)NC2CCCCCC2)ccc1OC1CCCC1 ZINC000058369897 563944076 /nfs/dbraw/zinc/94/40/76/563944076.db2.gz QEJOBAQTYUQLBN-UHFFFAOYSA-N 0 0 331.456 4.469 50 0 EIAARN Cc1ccccc1SCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000058378338 563944227 /nfs/dbraw/zinc/94/42/27/563944227.db2.gz YMUROJBCRYIPTJ-FXAWDEMLSA-N 0 0 341.476 4.124 50 0 EIAARN C[C@H]1CCCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000058428613 563946165 /nfs/dbraw/zinc/94/61/65/563946165.db2.gz KQBFEYGNARGRLA-AWEZNQCLSA-N 0 0 332.444 4.296 50 0 EIAARN O=C(C=Cc1cccc2ccccc12)Nc1nc2c(s1)C(=O)CCC2 ZINC000058431406 563946235 /nfs/dbraw/zinc/94/62/35/563946235.db2.gz TVNPGODFWANGJU-VAWYXSNFSA-N 0 0 348.427 4.467 50 0 EIAARN Cc1cccc(/C=C(\C(=O)N2C[C@H](C)O[C@@H](C)C2)c2cccs2)c1 ZINC000043698906 563947272 /nfs/dbraw/zinc/94/72/72/563947272.db2.gz VWFJKGKGKSAAQE-ONWJRXSLSA-N 0 0 341.476 4.233 50 0 EIAARN CC(C)CNC(=O)CN([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000059985175 563949529 /nfs/dbraw/zinc/94/95/29/563949529.db2.gz UDHLXOQQLOYBQM-CYBMUJFWSA-N 0 0 342.405 4.003 50 0 EIAARN CCCCC[C@@H](C)NC(=O)CCNc1cc(Cl)ccc1OC ZINC000060166773 563949735 /nfs/dbraw/zinc/94/97/35/563949735.db2.gz HGXVJMFEKNTSEE-CYBMUJFWSA-N 0 0 326.868 4.236 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000096461425 563954078 /nfs/dbraw/zinc/95/40/78/563954078.db2.gz VQMAMVDNFOAMED-WMLDXEAASA-N 0 0 338.411 4.065 50 0 EIAARN Cc1cc(Br)c(Cl)cc1I ZINC000063339599 563955328 /nfs/dbraw/zinc/95/53/28/563955328.db2.gz SEFKIVWHFWHXLG-UHFFFAOYSA-N 0 0 331.378 4.016 50 0 EIAARN COc1ccccc1-c1cccc(NC(=O)NC2(C)CCOCC2)c1 ZINC000096495524 563955701 /nfs/dbraw/zinc/95/57/01/563955701.db2.gz KJMGIYJGCQVRKT-UHFFFAOYSA-N 0 0 340.423 4.053 50 0 EIAARN Cc1nc([C@@H](C)n2ccnc2C(C)C)n(-c2cccc3cccnc32)n1 ZINC000063834258 563956038 /nfs/dbraw/zinc/95/60/38/563956038.db2.gz GXOPDLIEXPTBOU-CQSZACIVSA-N 0 0 346.438 4.053 50 0 EIAARN COc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1OC ZINC000064667139 563957052 /nfs/dbraw/zinc/95/70/52/563957052.db2.gz AMOCFOPVYSURIT-MRXNPFEDSA-N 0 0 330.428 4.152 50 0 EIAARN Cc1ccc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nn1 ZINC000065363859 563958265 /nfs/dbraw/zinc/95/82/65/563958265.db2.gz RRVAUOJWVHNIOJ-UHFFFAOYSA-N 0 0 337.358 4.312 50 0 EIAARN Clc1cccc(-c2ccc([C@@H]3NCCc4nc[nH]c43)o2)c1Cl ZINC000065371384 563958473 /nfs/dbraw/zinc/95/84/73/563958473.db2.gz ZXLDOGOQPMAKOU-INIZCTEOSA-N 0 0 334.206 4.212 50 0 EIAARN CC(=O)Nc1ccc2nc(-c3[nH]cnc3-c3ccccc3)ccc2c1 ZINC000065469241 563961365 /nfs/dbraw/zinc/96/13/65/563961365.db2.gz KYDFLRZCJMFSFW-UHFFFAOYSA-N 0 0 328.375 4.250 50 0 EIAARN CCc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)o1 ZINC000065535003 563961994 /nfs/dbraw/zinc/96/19/94/563961994.db2.gz HIKFUYNOCWJGSQ-UHFFFAOYSA-N 0 0 332.407 4.338 50 0 EIAARN Cc1csc2ncnc(-c3ccc([C@H](C)N4CCOCC4)cc3)c12 ZINC000067724161 563962614 /nfs/dbraw/zinc/96/26/14/563962614.db2.gz YNROFEUFOXJMIM-AWEZNQCLSA-N 0 0 339.464 4.060 50 0 EIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1c(C)cccc1C ZINC000033086165 563963462 /nfs/dbraw/zinc/96/34/62/563963462.db2.gz XHEXQNHLNLEPBF-UHFFFAOYSA-N 0 0 334.423 4.321 50 0 EIAARN CCn1c(C)nnc1SCc1nc(-c2cccc(C)c2)oc1C ZINC000033130644 563963677 /nfs/dbraw/zinc/96/36/77/563963677.db2.gz CMYRCLAKIBNRRZ-UHFFFAOYSA-N 0 0 328.441 4.171 50 0 EIAARN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(F)cc1Cl ZINC000033136268 563963686 /nfs/dbraw/zinc/96/36/86/563963686.db2.gz YGYAGUUWTJCAQZ-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN O=C(c1csc(Cc2ccccc2)n1)N1CCCc2ccccc21 ZINC000033145041 563963933 /nfs/dbraw/zinc/96/39/33/563963933.db2.gz HZAQZPYKAANYQM-UHFFFAOYSA-N 0 0 334.444 4.327 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Oc2ccc3sc(=O)oc3c2)cc1 ZINC000071405112 563964298 /nfs/dbraw/zinc/96/42/98/563964298.db2.gz GWBHXGWBFCHZGS-UHFFFAOYSA-N 0 0 328.389 4.371 50 0 EIAARN CC(C)c1noc(Cn2ccnc2-c2ccccc2-c2ccco2)n1 ZINC000071422458 563964421 /nfs/dbraw/zinc/96/44/21/563964421.db2.gz KWCFYOOSZXEZGR-UHFFFAOYSA-N 0 0 334.379 4.365 50 0 EIAARN COc1ccccc1-c1nccn1[C@H](Cn1ccnc1)c1ccccc1 ZINC000071479695 563964478 /nfs/dbraw/zinc/96/44/78/563964478.db2.gz BOVDETTWMULPNB-LJQANCHMSA-N 0 0 344.418 4.045 50 0 EIAARN CN1c2cc(NC(=O)c3ccccc3)ccc2Oc2ccccc2C1=O ZINC000033170919 563964496 /nfs/dbraw/zinc/96/44/96/563964496.db2.gz LCHFHKKPDLCNDI-UHFFFAOYSA-N 0 0 344.370 4.321 50 0 EIAARN Cc1csc([C@H](C)n2ccnc2-c2cc3c(cc2C)OCCO3)n1 ZINC000071748800 563965060 /nfs/dbraw/zinc/96/50/60/563965060.db2.gz ZBHCUMVPCJIVFW-ZDUSSCGKSA-N 0 0 341.436 4.004 50 0 EIAARN Cc1n[nH]c(C)c1CCn1ccnc1-c1ccc(-c2ccccn2)cc1 ZINC000071750831 563965099 /nfs/dbraw/zinc/96/50/99/563965099.db2.gz XOBFPTWXVLIWEA-UHFFFAOYSA-N 0 0 343.434 4.195 50 0 EIAARN CN(CCc1ccccc1)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000071767315 563965528 /nfs/dbraw/zinc/96/55/28/563965528.db2.gz ZUFBCRVLRAIOQJ-JOCHJYFZSA-N 0 0 342.442 4.255 50 0 EIAARN Clc1ccc([C@@H]2CN(Cc3cc4ccccc4[nH]3)CCO2)cc1 ZINC000071776585 563965735 /nfs/dbraw/zinc/96/57/35/563965735.db2.gz KWTORMUTXGFMSH-IBGZPJMESA-N 0 0 326.827 4.395 50 0 EIAARN CCOC(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 ZINC000071873558 563965889 /nfs/dbraw/zinc/96/58/89/563965889.db2.gz NRKPHHJMRUOKKH-UHFFFAOYSA-N 0 0 338.329 4.010 50 0 EIAARN COc1ccccc1C(=O)c1sc(Nc2ccc(C)cc2)nc1N ZINC000033251796 563966082 /nfs/dbraw/zinc/96/60/82/563966082.db2.gz TUHCMBGFECQMGS-UHFFFAOYSA-N 0 0 339.420 4.017 50 0 EIAARN Cc1ccsc1-c1nc(-c2cccc(NC(=O)NC(C)C)c2)no1 ZINC000033257443 563966218 /nfs/dbraw/zinc/96/62/18/563966218.db2.gz YWWZUADPIVENCB-UHFFFAOYSA-N 0 0 342.424 4.303 50 0 EIAARN CC(C)NC(=O)c1cccc(-c2noc(-c3cc4ccccc4[nH]3)n2)c1 ZINC000033257788 563966247 /nfs/dbraw/zinc/96/62/47/563966247.db2.gz UHNNAFCTEOPLRD-UHFFFAOYSA-N 0 0 346.390 4.023 50 0 EIAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)NC4CC4)cc3)ncn2)cc1 ZINC000033261234 563966272 /nfs/dbraw/zinc/96/62/72/563966272.db2.gz RCFSMXKCLVMEDN-UHFFFAOYSA-N 0 0 344.418 4.088 50 0 EIAARN CCCN(CCC)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000013939847 563966476 /nfs/dbraw/zinc/96/64/76/563966476.db2.gz HOYSYKQLYKWUDL-UHFFFAOYSA-N 0 0 344.691 4.458 50 0 EIAARN C[C@@H](NCc1ncc(-c2cccs2)o1)c1ccc2c(c1)OCCO2 ZINC000097033011 563966878 /nfs/dbraw/zinc/96/68/78/563966878.db2.gz XDBZIOAHGCTXQG-GFCCVEGCSA-N 0 0 342.420 4.025 50 0 EIAARN CCNc1ccc(Br)cc1NC(=O)[C@H](C)c1cccnc1 ZINC000097048606 563967029 /nfs/dbraw/zinc/96/70/29/563967029.db2.gz BWJAVKSQEARXRU-LLVKDONJSA-N 0 0 348.244 4.018 50 0 EIAARN Cc1nccn1-c1ccc([C@H](C)NCc2nc3ccccc3o2)cc1 ZINC000097081920 563967277 /nfs/dbraw/zinc/96/72/77/563967277.db2.gz UKBNGOMVJXDTCU-AWEZNQCLSA-N 0 0 332.407 4.173 50 0 EIAARN Cc1ccc(Oc2ccc(NC(=O)Nc3ccccc3F)cc2)nn1 ZINC000075491902 563967368 /nfs/dbraw/zinc/96/73/68/563967368.db2.gz KSMILVZJVIZYRP-UHFFFAOYSA-N 0 0 338.342 4.360 50 0 EIAARN O=C(CSc1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000031461 563967561 /nfs/dbraw/zinc/96/75/61/563967561.db2.gz NLWVKHBACUQSPD-UHFFFAOYSA-N 0 0 346.761 4.485 50 0 EIAARN CCn1nc(C)c(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c1C ZINC000097100097 563967699 /nfs/dbraw/zinc/96/76/99/563967699.db2.gz WJJUUKOXQMUJKJ-WBMJQRKESA-N 0 0 344.459 4.426 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2cc(C)nc3cc(F)ccc32)s1 ZINC000076174762 563967775 /nfs/dbraw/zinc/96/77/75/563967775.db2.gz BGSKDYMNNSDZGY-UHFFFAOYSA-N 0 0 328.412 4.324 50 0 EIAARN COc1ccc(NC(=O)NC[C@@H](C)c2nc(C)cs2)c(Cl)c1 ZINC000097113205 563967887 /nfs/dbraw/zinc/96/78/87/563967887.db2.gz MUZNULOGAMQWFQ-SECBINFHSA-N 0 0 339.848 4.039 50 0 EIAARN CCn1c2ccccc2nc1[C@@H](C)Nc1nc(C(C)(C)C)ns1 ZINC000097165405 563968503 /nfs/dbraw/zinc/96/85/03/563968503.db2.gz BINAVISYTVUZBJ-LLVKDONJSA-N 0 0 329.473 4.378 50 0 EIAARN CCS[C@@H]1CCCC[C@@H]1NCc1nc(CCc2ccccc2)no1 ZINC000097165594 563968540 /nfs/dbraw/zinc/96/85/40/563968540.db2.gz WUMJHCRAWFMXRZ-DLBZAZTESA-N 0 0 345.512 4.009 50 0 EIAARN Cc1nc(Cl)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 ZINC000077011356 563968570 /nfs/dbraw/zinc/96/85/70/563968570.db2.gz LMNHTSKUHWUCEH-UHFFFAOYSA-N 0 0 343.811 4.115 50 0 EIAARN Cc1cccc([C@@H](C2CC2)n2ccnc2-c2nc3ccccc3n2C)n1 ZINC000077284903 563968682 /nfs/dbraw/zinc/96/86/82/563968682.db2.gz WPKIERXZHROFSJ-LJQANCHMSA-N 0 0 343.434 4.140 50 0 EIAARN CC[C@@H]1c2cccn2CCN1C(=O)c1[nH]c2c(cccc2F)c1C ZINC000077356562 563969198 /nfs/dbraw/zinc/96/91/98/563969198.db2.gz LGCWBEDYQFZJJP-OAHLLOKOSA-N 0 0 325.387 4.024 50 0 EIAARN CN(C)C(=O)CCCn1ccnc1-c1ccccc1-c1ccccc1 ZINC000077376571 563969219 /nfs/dbraw/zinc/96/92/19/563969219.db2.gz ZDAFQLRPLILYKZ-UHFFFAOYSA-N 0 0 333.435 4.086 50 0 EIAARN COc1cccc([C@H]2CCCN2C(=O)c2ccc(CSC)o2)c1 ZINC000077419571 563969541 /nfs/dbraw/zinc/96/95/41/563969541.db2.gz PVUHFIKJRHTVNM-MRXNPFEDSA-N 0 0 331.437 4.129 50 0 EIAARN COc1cccc([C@H]2CCCCN2C(=O)c2cccc(C(C)=O)c2)c1 ZINC000077469870 563969805 /nfs/dbraw/zinc/96/98/05/563969805.db2.gz LPIFGAWYOGPYII-HXUWFJFHSA-N 0 0 337.419 4.265 50 0 EIAARN O=C(c1ccc(F)cc1F)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000077505958 563970121 /nfs/dbraw/zinc/97/01/21/563970121.db2.gz MUWZNOCKQSIBJK-CYBMUJFWSA-N 0 0 349.352 4.035 50 0 EIAARN CCCc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)no1 ZINC000082086534 563971989 /nfs/dbraw/zinc/97/19/89/563971989.db2.gz XLGDVQMESXJAGW-HNNXBMFYSA-N 0 0 341.436 4.214 50 0 EIAARN O[C@@H](Cn1ccnc1-c1cnc(C2CCCCC2)nc1)c1ccccc1 ZINC000082092212 563972097 /nfs/dbraw/zinc/97/20/97/563972097.db2.gz XXGDVARRFNDOSM-IBGZPJMESA-N 0 0 348.450 4.121 50 0 EIAARN Fc1cc(CN2CCC[C@H](c3nccn3CC3CC3)C2)cc(F)c1F ZINC000082107850 563972346 /nfs/dbraw/zinc/97/23/46/563972346.db2.gz UJDIEOYWGLNBTH-HNNXBMFYSA-N 0 0 349.400 4.090 50 0 EIAARN COCCC[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000082120540 563972415 /nfs/dbraw/zinc/97/24/15/563972415.db2.gz WTZZSMMRZRUOBX-HNNXBMFYSA-N 0 0 329.362 4.127 50 0 EIAARN Cc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)no1 ZINC000082126428 563972531 /nfs/dbraw/zinc/97/25/31/563972531.db2.gz BMWUDIXQOXSEEV-QGZVFWFLSA-N 0 0 337.379 4.005 50 0 EIAARN CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cc(Cl)ccc1F ZINC000082161619 563972820 /nfs/dbraw/zinc/97/28/20/563972820.db2.gz RLGKKANKVIHRKZ-CQSZACIVSA-N 0 0 346.833 4.078 50 0 EIAARN COc1cc(C)nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc21 ZINC000033278712 563972869 /nfs/dbraw/zinc/97/28/69/563972869.db2.gz NOJDLKGEOUTATL-UHFFFAOYSA-N 0 0 343.333 4.474 50 0 EIAARN Cc1nc(CN[C@H](c2nc3ccccc3n2C)c2ccccc2)oc1C ZINC000125975023 563973294 /nfs/dbraw/zinc/97/32/94/563973294.db2.gz GBVQGSZVTMEJSE-FQEVSTJZSA-N 0 0 346.434 4.057 50 0 EIAARN O=C(c1ccc(CN2CCSCC2)cc1)c1cccc(Cl)c1 ZINC000085651252 563973859 /nfs/dbraw/zinc/97/38/59/563973859.db2.gz VZDJOXNOZIMGEI-UHFFFAOYSA-N 0 0 331.868 4.120 50 0 EIAARN Cc1ccc(C(=O)c2ccc(CN3CCSCC3)cc2)cc1C ZINC000085651267 563973905 /nfs/dbraw/zinc/97/39/05/563973905.db2.gz PVUVKFSZHUMBIJ-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc(C)c1 ZINC000000071584 563974355 /nfs/dbraw/zinc/97/43/55/563974355.db2.gz AYFSWYWVSKJASK-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1noc2c1CSc1ccccc1-2 ZINC000033331831 563974472 /nfs/dbraw/zinc/97/44/72/563974472.db2.gz UJAWFYBAURTPDK-UHFFFAOYSA-N 0 0 336.416 4.220 50 0 EIAARN Cc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1 ZINC000000079119 563974566 /nfs/dbraw/zinc/97/45/66/563974566.db2.gz OMSYYHWJVWFEGT-HNNXBMFYSA-N 0 0 339.395 4.270 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)[nH]n2)s1 ZINC000091305389 563975248 /nfs/dbraw/zinc/97/52/48/563975248.db2.gz CHHKURTWSSDJCF-INIZCTEOSA-N 0 0 341.411 4.173 50 0 EIAARN CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1 ZINC000091620859 563975575 /nfs/dbraw/zinc/97/55/75/563975575.db2.gz DBAUVXCWBQTZMD-CQSZACIVSA-N 0 0 346.862 4.276 50 0 EIAARN C[C@H](C(=O)Nc1cccc(Cl)c1SCC(F)F)n1ccnc1 ZINC000072290762 563976409 /nfs/dbraw/zinc/97/64/09/563976409.db2.gz IJSNOFFOYPGMLK-SECBINFHSA-N 0 0 345.802 4.093 50 0 EIAARN CO[C@@H](c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)c1ccccc1 ZINC000521394006 563976424 /nfs/dbraw/zinc/97/64/24/563976424.db2.gz BCXKBSVPVUFXNU-RCCFBDPRSA-N 0 0 336.391 4.051 50 0 EIAARN CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(F)cc1 ZINC000000090691 563976546 /nfs/dbraw/zinc/97/65/46/563976546.db2.gz LMKOYRDWGVULRV-UHFFFAOYSA-N 0 0 340.354 4.303 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)Nc2c(C)cc(C)nc2C)cc1F ZINC000095506498 563977157 /nfs/dbraw/zinc/97/71/57/563977157.db2.gz NWBCBQJFIDULBT-GFCCVEGCSA-N 0 0 331.391 4.037 50 0 EIAARN COc1ccc(-c2ccc([C@H](C)NC(C)=O)cc2)c2ccc(C)nc12 ZINC000096161901 563979838 /nfs/dbraw/zinc/97/98/38/563979838.db2.gz DUFALGCJFZXCNM-AWEZNQCLSA-N 0 0 334.419 4.416 50 0 EIAARN CC(C)Oc1c(Cl)cccc1NC(=O)N1CC(c2ccccn2)C1 ZINC000096165827 563979963 /nfs/dbraw/zinc/97/99/63/563979963.db2.gz VPTWTGNYKBBZIP-UHFFFAOYSA-N 0 0 345.830 4.154 50 0 EIAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCOCC2)n1)CC[C@@H](C)C3 ZINC000096236667 563980482 /nfs/dbraw/zinc/98/04/82/563980482.db2.gz NLQPRXZSWKJGPH-CHWSQXEVSA-N 0 0 345.512 4.166 50 0 EIAARN O=C(NCCC1=CCCCC1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103385 563981451 /nfs/dbraw/zinc/98/14/51/563981451.db2.gz ZXOBHGYCRHGVJN-UHFFFAOYSA-N 0 0 327.428 4.047 50 0 EIAARN CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1-c1cccc(C)c1 ZINC000225542143 563982366 /nfs/dbraw/zinc/98/23/66/563982366.db2.gz WXNRTLJHKKRDIW-UHFFFAOYSA-N 0 0 347.443 4.411 50 0 EIAARN COc1ccc(OC)c(NC(=O)Cc2coc3cc(C)c(C)cc23)c1 ZINC000014139419 563983301 /nfs/dbraw/zinc/98/33/01/563983301.db2.gz RATUMOQTHCYIQZ-UHFFFAOYSA-N 0 0 339.391 4.248 50 0 EIAARN CN1C[C@H](C(=O)c2ccc(F)cc2)[C@H](c2c(F)cccc2Cl)C1 ZINC000106341658 563983888 /nfs/dbraw/zinc/98/38/88/563983888.db2.gz OAJSJXJVFWZAFZ-KGLIPLIRSA-N 0 0 335.781 4.146 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(OC(F)F)c1 ZINC000044457354 563986397 /nfs/dbraw/zinc/98/63/97/563986397.db2.gz MTUKWSJQWLLBIZ-UHFFFAOYSA-N 0 0 330.334 4.341 50 0 EIAARN C[C@@H]1Cc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c2C(=O)[C@H]1C ZINC000000106074 563986440 /nfs/dbraw/zinc/98/64/40/563986440.db2.gz YXCWRLCZWVCEDO-KGLIPLIRSA-N 0 0 332.403 4.256 50 0 EIAARN COc1cc(NC(=O)Nc2ccc(SC)cc2)cc(OC)c1OC ZINC000355221102 563986445 /nfs/dbraw/zinc/98/64/45/563986445.db2.gz ATHZFXQKMOFFKN-UHFFFAOYSA-N 0 0 348.424 4.078 50 0 EIAARN Cc1nc2ccccc2n1C[C@H](O)COc1cc(C)ccc1C(C)C ZINC000000110053 563986647 /nfs/dbraw/zinc/98/66/47/563986647.db2.gz IYMMXULJUZNXDV-KRWDZBQOSA-N 0 0 338.451 4.216 50 0 EIAARN Cc1ccc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 ZINC000000144794 563987164 /nfs/dbraw/zinc/98/71/64/563987164.db2.gz LKKCFYTUZAYCQM-UHFFFAOYSA-N 0 0 338.359 4.455 50 0 EIAARN CCOc1ccc(-c2csc3ncn(CC(C)C)c(=O)c23)cc1 ZINC000000148878 563987323 /nfs/dbraw/zinc/98/73/23/563987323.db2.gz NWGWYMYKAKFYIO-UHFFFAOYSA-N 0 0 328.437 4.180 50 0 EIAARN Cc1cccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c1 ZINC000000176756 563987685 /nfs/dbraw/zinc/98/76/85/563987685.db2.gz BWXMTMALAAFIEY-GDNBJRDFSA-N 0 0 342.192 4.102 50 0 EIAARN Clc1ccccc1-n1ncnc1-c1ccc(Br)cc1 ZINC000000181003 563987839 /nfs/dbraw/zinc/98/78/39/563987839.db2.gz FZVINRGQQUCJKI-UHFFFAOYSA-N 0 0 334.604 4.350 50 0 EIAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccc(F)cc1 ZINC000000182987 563987947 /nfs/dbraw/zinc/98/79/47/563987947.db2.gz DHIZXXJDENMJCB-UHFFFAOYSA-N 0 0 331.350 4.393 50 0 EIAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cccs1)CSC2 ZINC000000190360 563988109 /nfs/dbraw/zinc/98/81/09/563988109.db2.gz FBSHBRTWPDCKJI-UHFFFAOYSA-N 0 0 341.461 4.241 50 0 EIAARN CCSc1nnc(NC(=O)/C=C/c2cccc3ccccc23)s1 ZINC000000191080 563988146 /nfs/dbraw/zinc/98/81/46/563988146.db2.gz WXWQZIFORWNQMU-ZHACJKMWSA-N 0 0 341.461 4.455 50 0 EIAARN Cc1ccccc1Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000000201026 563988343 /nfs/dbraw/zinc/98/83/43/563988343.db2.gz KBHOGEHCZUCQBG-UHFFFAOYSA-N 0 0 349.478 4.098 50 0 EIAARN O=C(Nc1nncs1)c1sc2cccc(Cl)c2c1Cl ZINC000028225874 563988544 /nfs/dbraw/zinc/98/85/44/563988544.db2.gz IPONGTWICOFKLL-UHFFFAOYSA-N 0 0 330.221 4.312 50 0 EIAARN CCc1ccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)cc1 ZINC000000216258 563988662 /nfs/dbraw/zinc/98/86/62/563988662.db2.gz YRPBJOATZCNOEP-UHFFFAOYSA-N 0 0 333.435 4.260 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)ncn3C2CCCC2)C1 ZINC000000219009 563988764 /nfs/dbraw/zinc/98/87/64/563988764.db2.gz UXEZEWCSGZEEQK-HUUCEWRRSA-N 0 0 325.456 4.270 50 0 EIAARN CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@](C)(O)CC1(C)C ZINC000000225612 563988922 /nfs/dbraw/zinc/98/89/22/563988922.db2.gz OIFCIQXNZMBGTG-OAHLLOKOSA-N 0 0 331.243 4.133 50 0 EIAARN O=C(Cc1cccc2ccccc21)OCC(=O)c1ccc(Cl)cc1 ZINC000000243074 563989189 /nfs/dbraw/zinc/98/91/89/563989189.db2.gz MDSKELWNQLMDHH-UHFFFAOYSA-N 0 0 338.790 4.462 50 0 EIAARN O=C(Nc1cccc2ccccc21)c1cncc(Br)c1 ZINC000000255990 563989539 /nfs/dbraw/zinc/98/95/39/563989539.db2.gz NUXNMGIJXXNCPC-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccccc2oc1=O ZINC000000277022 563990162 /nfs/dbraw/zinc/99/01/62/563990162.db2.gz BASCZNKPHYHHKC-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1 ZINC000000284684 563990247 /nfs/dbraw/zinc/99/02/47/563990247.db2.gz FHDAPAHKNLFUTK-UHFFFAOYSA-N 0 0 325.393 4.218 50 0 EIAARN COc1cccc(Nc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000000285669 563990265 /nfs/dbraw/zinc/99/02/65/563990265.db2.gz GGNCXDZSPQUNOD-UHFFFAOYSA-N 0 0 328.375 4.444 50 0 EIAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2)[C@H]3CCC1 ZINC000000296547 563990404 /nfs/dbraw/zinc/99/04/04/563990404.db2.gz GZXAOPQXHYOCQM-FQEVSTJZSA-N 0 0 330.431 4.483 50 0 biogenic EIAARN Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)cc1 ZINC000000307064 563990900 /nfs/dbraw/zinc/99/09/00/563990900.db2.gz YSLZROGUCZTQQD-UHFFFAOYSA-N 0 0 345.398 4.072 50 0 EIAARN COc1cccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)c1 ZINC000000354644 563991581 /nfs/dbraw/zinc/99/15/81/563991581.db2.gz VYLAUBPVQFNHMX-NVNXTCNLSA-N 0 0 348.185 4.347 50 0 EIAARN O=C(CCCn1cccc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000158706794 563991687 /nfs/dbraw/zinc/99/16/87/563991687.db2.gz CGOICQIXQFVYFZ-MRXNPFEDSA-N 0 0 339.464 4.242 50 0 EIAARN CCCc1ccc(-c2ccc(NC(=O)Cc3nnc(C)o3)cc2)cc1 ZINC000408512939 563992685 /nfs/dbraw/zinc/99/26/85/563992685.db2.gz HVTQBFQQUPSULN-UHFFFAOYSA-N 0 0 335.407 4.179 50 0 EIAARN O=C(NC1(C(F)(F)F)CCCCC1)c1ccoc1Br ZINC000408514936 563992924 /nfs/dbraw/zinc/99/29/24/563992924.db2.gz DLLPJTBORISRFA-UHFFFAOYSA-N 0 0 340.139 4.037 50 0 EIAARN Cc1c(NC[C@@H]2CCO[C@H](C)C2)cccc1NC(=O)c1ccccc1 ZINC000408514803 563992934 /nfs/dbraw/zinc/99/29/34/563992934.db2.gz JVMHRFHDDSAEKZ-NVXWUHKLSA-N 0 0 338.451 4.474 50 0 EIAARN CCC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1ccc2nccnc2c1 ZINC000408525618 563993308 /nfs/dbraw/zinc/99/33/08/563993308.db2.gz JKYTXZGCRZAGCP-FQEVSTJZSA-N 0 0 344.418 4.026 50 0 EIAARN O=C(C[C@@H]1C=CCC1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000061335977 563993915 /nfs/dbraw/zinc/99/39/15/563993915.db2.gz YFZGLMAHALYLIE-MRXNPFEDSA-N 0 0 333.431 4.261 50 0 EIAARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2ccccc2c1 ZINC000005144971 563994651 /nfs/dbraw/zinc/99/46/51/563994651.db2.gz ZXWQIPYBRJHDSZ-UHFFFAOYSA-N 0 0 338.432 4.130 50 0 EIAARN CSc1nc(C)cc(Nc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000011907851 563995436 /nfs/dbraw/zinc/99/54/36/563995436.db2.gz VGNOVSLGGDYOSD-UHFFFAOYSA-N 0 0 328.485 4.487 50 0 EIAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000248246578 563995636 /nfs/dbraw/zinc/99/56/36/563995636.db2.gz MKXGCYXVFZXYOM-XQLPTFJDSA-N 0 0 341.373 4.036 50 0 EIAARN CCCc1nnc(-c2ccccc2C(=O)N(C(C)C)C(C)C)s1 ZINC000426489720 563995814 /nfs/dbraw/zinc/99/58/14/563995814.db2.gz WHPGLQHADLYHEV-UHFFFAOYSA-N 0 0 331.485 4.417 50 0 EIAARN O=c1c(Cl)c(Cl)cnn1Cc1cccc(Oc2ccccc2)c1 ZINC000000138582 563996147 /nfs/dbraw/zinc/99/61/47/563996147.db2.gz NAUSSHSUQOJQPP-UHFFFAOYSA-N 0 0 347.201 4.391 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N3CC([NH+]4CCCCC4)C3)cc2)s1 ZINC000426503033 563996187 /nfs/dbraw/zinc/99/61/87/563996187.db2.gz BRKRHQFQCAPPAJ-UHFFFAOYSA-N 0 0 340.492 4.034 50 0 EIAARN CSc1ccccc1-c1ccc(C(=O)NC[C@@H]2CCCOC2)cc1 ZINC000426523480 563996257 /nfs/dbraw/zinc/99/62/57/563996257.db2.gz NDOQQUKIRMDBQI-HNNXBMFYSA-N 0 0 341.476 4.232 50 0 EIAARN COc1cccc([C@H]2CCN2C(=O)Nc2c(C)nn(C(C)C)c2C)c1 ZINC000426571512 563996328 /nfs/dbraw/zinc/99/63/28/563996328.db2.gz NFHRMRBWSGCNSZ-QGZVFWFLSA-N 0 0 342.443 4.068 50 0 EIAARN COc1cccc([C@@H]2CCN2C(=O)Nc2c(C)nn(C(C)C)c2C)c1 ZINC000426571507 563996332 /nfs/dbraw/zinc/99/63/32/563996332.db2.gz NFHRMRBWSGCNSZ-KRWDZBQOSA-N 0 0 342.443 4.068 50 0 EIAARN Cn1c2ccc(F)cc2nc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000133691536 563996484 /nfs/dbraw/zinc/99/64/84/563996484.db2.gz AFMICBSOPLNPRD-UHFFFAOYSA-N 0 0 346.365 4.027 50 0 EIAARN CC(=O)O[C@@H]1CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 ZINC000013123149 563996588 /nfs/dbraw/zinc/99/65/88/563996588.db2.gz BQCNQBZBDPWOLJ-INIZCTEOSA-N 0 0 333.428 4.001 50 0 EIAARN Cc1cccc(-c2noc(CNc3cc(F)ccc3OC(F)F)n2)c1 ZINC000128170056 563997588 /nfs/dbraw/zinc/99/75/88/563997588.db2.gz AKNLXOUUTDIGCB-UHFFFAOYSA-N 0 0 349.312 4.398 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000252585766 563997903 /nfs/dbraw/zinc/99/79/03/563997903.db2.gz KXLYYJSGANPOQI-IRKLFDGPSA-N 0 0 336.520 4.094 50 0 EIAARN Cc1cccc(-n2nc3c(c2NC(=O)C2CCCC2)CSC3)c1C ZINC000000425774 563998994 /nfs/dbraw/zinc/99/89/94/563998994.db2.gz FRXIZOPSKWPOCM-UHFFFAOYSA-N 0 0 341.480 4.365 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1noc2c1CCC2 ZINC000000426300 563999036 /nfs/dbraw/zinc/99/90/36/563999036.db2.gz QTJMTFVNVRCUQE-UHFFFAOYSA-N 0 0 330.693 4.088 50 0 EIAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1C(F)(F)F ZINC000000430192 563999359 /nfs/dbraw/zinc/99/93/59/563999359.db2.gz QPERFJVAKYXMKK-ZROIWOOFSA-N 0 0 335.256 4.189 50 0 EIAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc(C2CC2)on1 ZINC000179205437 564000071 /nfs/dbraw/zinc/00/00/71/564000071.db2.gz AXKOYFDCHHXBAE-LLVKDONJSA-N 0 0 333.457 4.274 50 0 EIAARN O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@@H]1c1cccs1 ZINC000264391412 564000082 /nfs/dbraw/zinc/00/00/82/564000082.db2.gz SOIBBQMFGYQUJV-CYBMUJFWSA-N 0 0 344.461 4.371 50 0 EIAARN CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1 ZINC000005191601 564000261 /nfs/dbraw/zinc/00/02/61/564000261.db2.gz IJTVWGZYAASIGN-UHFFFAOYSA-N 0 0 334.419 4.170 50 0 EIAARN CNc1nc2c(s1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000061719524 564000436 /nfs/dbraw/zinc/00/04/36/564000436.db2.gz MOFGPAWNMRTHSK-MRVPVSSYSA-N 0 0 327.331 4.327 50 0 EIAARN COc1ccccc1CCC(=O)Nc1cc(-c2cc[nH]n2)sc1C ZINC000075519322 564000453 /nfs/dbraw/zinc/00/04/53/564000453.db2.gz MVWFUYOPWODHGM-UHFFFAOYSA-N 0 0 341.436 4.027 50 0 EIAARN C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000001849528 564001305 /nfs/dbraw/zinc/00/13/05/564001305.db2.gz IMONTRJLAWHYGT-ZCPXKWAGSA-N 0 0 340.463 4.063 50 0 biogenic,investigational EIAARN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)n1cnc2ccccc2c1=O ZINC000005241901 564001503 /nfs/dbraw/zinc/00/15/03/564001503.db2.gz MSDQUZANKVBTGT-LJQANCHMSA-N 0 0 349.434 4.110 50 0 EIAARN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1cnc2ccccc2c1=O ZINC000005241892 564001513 /nfs/dbraw/zinc/00/15/13/564001513.db2.gz MSDQUZANKVBTGT-IBGZPJMESA-N 0 0 349.434 4.110 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000005263004 564001671 /nfs/dbraw/zinc/00/16/71/564001671.db2.gz YTFFRAKNIKWDQB-UHFFFAOYSA-N 0 0 327.387 4.334 50 0 EIAARN CC[C@H](C)n1ncc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1C1CC1 ZINC000179252476 564001694 /nfs/dbraw/zinc/00/16/94/564001694.db2.gz GGKDIHLEYYPDMH-AAEUAGOBSA-N 0 0 343.393 4.146 50 0 EIAARN CCCCN(CCCC)C(=S)SCn1nnc2ccccc21 ZINC000005309072 564002504 /nfs/dbraw/zinc/00/25/04/564002504.db2.gz FXICKTKKCCRIDM-UHFFFAOYSA-N 0 0 336.530 4.309 50 0 EIAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)cc1C ZINC000005343723 564002728 /nfs/dbraw/zinc/00/27/28/564002728.db2.gz KBKSTNNVIGLUEF-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN O=C(Nc1c(F)cccc1F)N(Cc1ccco1)Cc1ccccn1 ZINC000062018137 564002791 /nfs/dbraw/zinc/00/27/91/564002791.db2.gz HRUWCMVDLIMUGD-UHFFFAOYSA-N 0 0 343.333 4.187 50 0 EIAARN COc1cccc(Nc2ncnc3c2c(C)c(C)n3-c2cccnc2)c1 ZINC000005347893 564002993 /nfs/dbraw/zinc/00/29/93/564002993.db2.gz JHJLVZBBMONDSZ-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN COC(=O)[C@@]1(C)CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 ZINC000005370236 564003146 /nfs/dbraw/zinc/00/31/46/564003146.db2.gz JONHTESXUZSHQF-HXUWFJFHSA-N 0 0 347.455 4.043 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C(C)C ZINC000005374041 564003220 /nfs/dbraw/zinc/00/32/20/564003220.db2.gz HXGZPLYEDAZIFE-UHFFFAOYSA-N 0 0 336.435 4.183 50 0 EIAARN O=c1ccc(-c2cccs2)nn1Cc1ccc(Cl)c(Cl)c1 ZINC000005388141 564003495 /nfs/dbraw/zinc/00/34/95/564003495.db2.gz SWUAVNFZMCWAJZ-UHFFFAOYSA-N 0 0 337.231 4.327 50 0 EIAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1C ZINC000005400693 564003600 /nfs/dbraw/zinc/00/36/00/564003600.db2.gz CHYYVTIFHMYUFT-ZDUSSCGKSA-N 0 0 341.480 4.471 50 0 EIAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2nccnc2c1 ZINC000005421423 564003821 /nfs/dbraw/zinc/00/38/21/564003821.db2.gz CARHRHXFUISDFD-UHFFFAOYSA-N 0 0 333.174 4.294 50 0 EIAARN O=C(Nc1nccs1)c1cccnc1-c1nc2ccccc2s1 ZINC000005428824 564003874 /nfs/dbraw/zinc/00/38/74/564003874.db2.gz UJSNJMRUGBAPGO-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)NC3CCCC3)c2c1C ZINC000005428979 564003879 /nfs/dbraw/zinc/00/38/79/564003879.db2.gz VAPPUNAQWREURP-LLVKDONJSA-N 0 0 349.525 4.156 50 0 EIAARN Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000002664499 564003983 /nfs/dbraw/zinc/00/39/83/564003983.db2.gz WIEGUUYCRIVUNC-UHFFFAOYSA-N 0 0 334.832 4.033 50 0 EIAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1Cl ZINC000005439791 564004021 /nfs/dbraw/zinc/00/40/21/564004021.db2.gz GMCCUVPJVBMWGW-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1C(F)(F)F ZINC000005440479 564004028 /nfs/dbraw/zinc/00/40/28/564004028.db2.gz QFGDEDODKVUSSF-UHFFFAOYSA-N 0 0 348.324 4.085 50 0 EIAARN Cc1cc(C)cc(C(=O)NCCc2csc(-c3cccs3)n2)c1 ZINC000005452144 564004235 /nfs/dbraw/zinc/00/42/35/564004235.db2.gz VKDHQNULZIYZAZ-UHFFFAOYSA-N 0 0 342.489 4.461 50 0 EIAARN Cc1cccc(CSc2nc3cc(Br)cnc3[nH]2)c1 ZINC000005454572 564004256 /nfs/dbraw/zinc/00/42/56/564004256.db2.gz VKSFXKWIHIGFIB-UHFFFAOYSA-N 0 0 334.242 4.321 50 0 EIAARN COc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2o1 ZINC000003263240 564004339 /nfs/dbraw/zinc/00/43/39/564004339.db2.gz FILFVBYLGFFSPW-UHFFFAOYSA-N 0 0 348.811 4.221 50 0 EIAARN O=C(Oc1ccccc1Cc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000005465003 564004384 /nfs/dbraw/zinc/00/43/84/564004384.db2.gz YEJMYKPTFISVHH-OAQYLSRUSA-N 0 0 346.382 4.023 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccc(F)cc2)cc1 ZINC000005485832 564004578 /nfs/dbraw/zinc/00/45/78/564004578.db2.gz XVOHUUFSPNKHTH-UHFFFAOYSA-N 0 0 339.370 4.426 50 0 EIAARN CCOc1cc2c(cc1NCc1nc(C3CCCC3)no1)O[C@@H](C)C2 ZINC000151837224 564004762 /nfs/dbraw/zinc/00/47/62/564004762.db2.gz MXIGWFYYSSIEBN-LBPRGKRZSA-N 0 0 343.427 4.061 50 0 EIAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 ZINC000005521994 564005043 /nfs/dbraw/zinc/00/50/43/564005043.db2.gz YAWHEQZZIKLBMV-UHFFFAOYSA-N 0 0 337.872 4.116 50 0 EIAARN c1nn(Cc2ccccc2)c2ncnc(SCc3ccccc3)c12 ZINC000005556975 564005427 /nfs/dbraw/zinc/00/54/27/564005427.db2.gz SVEGGFBAMCRNEL-UHFFFAOYSA-N 0 0 332.432 4.167 50 0 EIAARN COc1cc(SC)ccc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005442953 564005965 /nfs/dbraw/zinc/00/59/65/564005965.db2.gz XJSJKZYEQHTKFU-QGZVFWFLSA-N 0 0 327.449 4.225 50 0 EIAARN C[C@H](Sc1nc2ccccc2o1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000005628765 564006733 /nfs/dbraw/zinc/00/67/33/564006733.db2.gz ICUYXTJHZTXYRJ-STQMWFEESA-N 0 0 338.432 4.286 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(F)cc1F ZINC000005654622 564007083 /nfs/dbraw/zinc/00/70/83/564007083.db2.gz IVUXNBKXKNOWCZ-NSHDSACASA-N 0 0 343.329 4.183 50 0 EIAARN CN(C(=O)CCc1cccs1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273295153 564007726 /nfs/dbraw/zinc/00/77/26/564007726.db2.gz LTEKCGOCSZNKCN-WMZOPIPTSA-N 0 0 347.455 4.199 50 0 EIAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000017291366 564011486 /nfs/dbraw/zinc/01/14/86/564011486.db2.gz ZPXLTQVABXTVCV-LBPRGKRZSA-N 0 0 343.427 4.067 50 0 EIAARN COc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 ZINC000000097501 564012269 /nfs/dbraw/zinc/01/22/69/564012269.db2.gz GNVAANUCTNCRME-UHFFFAOYSA-N 0 0 332.812 4.140 50 0 EIAARN COc1ccc(OC)c(CNc2ccc(Br)c(C)c2)c1 ZINC000000263386 564012298 /nfs/dbraw/zinc/01/22/98/564012298.db2.gz GISXKAVWXKMUIT-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN COC(=O)c1sccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000253752 564012301 /nfs/dbraw/zinc/01/23/01/564012301.db2.gz KKQMABIOYQQXFZ-UHFFFAOYSA-N 0 0 345.207 4.486 50 0 aggregator EIAARN O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000000304802 564012347 /nfs/dbraw/zinc/01/23/47/564012347.db2.gz FGQGLNSXKGFPEV-UHFFFAOYSA-N 0 0 339.416 4.066 50 0 EIAARN COc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1 ZINC000000306316 564012350 /nfs/dbraw/zinc/01/23/50/564012350.db2.gz OPOIQNVXNIXNAZ-UHFFFAOYSA-N 0 0 327.449 4.046 50 0 EIAARN COc1ccc(NC(=O)c2sc3nc4ccccc4cc3c2N)cc1 ZINC000000384004 564012430 /nfs/dbraw/zinc/01/24/30/564012430.db2.gz DLUNTCWGCIAODJ-UHFFFAOYSA-N 0 0 349.415 4.293 50 0 EIAARN C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000000536335 564012553 /nfs/dbraw/zinc/01/25/53/564012553.db2.gz DAHFBNNQAHMNQB-JTQLQIEISA-N 0 0 333.313 4.073 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)Cc1ccccc1 ZINC000000569042 564012813 /nfs/dbraw/zinc/01/28/13/564012813.db2.gz WFWCIZYTHHQENO-CQSZACIVSA-N 0 0 326.465 4.256 50 0 EIAARN Nc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)sc2c1 ZINC000000617821 564012910 /nfs/dbraw/zinc/01/29/10/564012910.db2.gz XQZRGTSLILQVMR-UHFFFAOYSA-N 0 0 349.868 4.263 50 0 EIAARN Cc1ccc2c(COC(=O)CCc3ccccc3)cc(=O)oc2c1C ZINC000006375411 564012966 /nfs/dbraw/zinc/01/29/66/564012966.db2.gz WGTITVVZAZYLLU-UHFFFAOYSA-N 0 0 336.387 4.086 50 0 EIAARN CCc1ccc(NC(=O)N(CC)Cc2cc(=O)[nH]c3ccccc23)cc1 ZINC000041076986 564013299 /nfs/dbraw/zinc/01/32/99/564013299.db2.gz ACDSCYAHAPHUHP-UHFFFAOYSA-N 0 0 349.434 4.145 50 0 EIAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(F)cc2)cc1C ZINC000003231114 564013603 /nfs/dbraw/zinc/01/36/03/564013603.db2.gz NEMYELIQMKYJRP-RMKNXTFCSA-N 0 0 333.384 4.024 50 0 EIAARN O=C(NC[C@@H]1COc2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000573040465 564014403 /nfs/dbraw/zinc/01/44/03/564014403.db2.gz HBSSVNFQJSSZDV-LLVKDONJSA-N 0 0 336.313 4.003 50 0 EIAARN CC1=N/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)O1 ZINC000000483749 564016835 /nfs/dbraw/zinc/01/68/35/564016835.db2.gz OHANLYDOOLURFQ-MHWRWJLKSA-N 0 0 327.767 4.235 50 0 EIAARN CC[C@@H](C)NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000000489235 564017532 /nfs/dbraw/zinc/01/75/32/564017532.db2.gz ASXWUIINODHLRO-GFCCVEGCSA-N 0 0 341.407 4.003 50 0 biogenic EIAARN CC(C)[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@H]1CCOC(C)(C)C1 ZINC000000490391 564017586 /nfs/dbraw/zinc/01/75/86/564017586.db2.gz MRENQJGAOWEDBH-JKSUJKDBSA-N 0 0 343.467 4.150 50 0 EIAARN CCOC(=O)[C@@H]1CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=NO1 ZINC000000492806 564017655 /nfs/dbraw/zinc/01/76/55/564017655.db2.gz LASBQQRIPFOWKP-INIZCTEOSA-N 0 0 347.455 4.043 50 0 EIAARN C[C@H]1CN=C(N(Cc2ccccc2)C(=S)Nc2ccccc2)S1 ZINC000000497769 564018071 /nfs/dbraw/zinc/01/80/71/564018071.db2.gz SVFGJAXABSDAJX-AWEZNQCLSA-N 0 0 341.505 4.377 50 0 EIAARN COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccco2)n1 ZINC000000498654 564018254 /nfs/dbraw/zinc/01/82/54/564018254.db2.gz PWKQDVVKYZCFLE-UHFFFAOYSA-N 0 0 333.347 4.376 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)NCCc1ccccc1F ZINC000018123508 564018266 /nfs/dbraw/zinc/01/82/66/564018266.db2.gz UZTASMARISZGMF-UHFFFAOYSA-N 0 0 334.394 4.169 50 0 EIAARN COc1cc2ncc(C(=O)c3ccccc3)c(Cl)c2cc1OC ZINC000583648343 564018321 /nfs/dbraw/zinc/01/83/21/564018321.db2.gz WRPZKPAXSMXSLR-UHFFFAOYSA-N 0 0 327.767 4.136 50 0 EIAARN C[C@H]1CC(C)(C)N(CN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000000499953 564018493 /nfs/dbraw/zinc/01/84/93/564018493.db2.gz MMZJUCRQDYSZSK-AWEZNQCLSA-N 0 0 334.419 4.033 50 0 EIAARN COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000018173855 564018521 /nfs/dbraw/zinc/01/85/21/564018521.db2.gz SJKVVAXYNYNDLN-LJQANCHMSA-N 0 0 333.391 4.001 50 0 EIAARN CSc1cccc(N[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000005688948 564018810 /nfs/dbraw/zinc/01/88/10/564018810.db2.gz LJYIEARUANYFLL-LBPRGKRZSA-N 0 0 328.437 4.050 50 0 EIAARN C/C=C/c1cc(C(=O)Nc2ccc(F)cc2C)cc(OC)c1OC ZINC000018229308 564018874 /nfs/dbraw/zinc/01/88/74/564018874.db2.gz DHKCUEKDFNIARJ-AATRIKPKSA-N 0 0 329.371 4.437 50 0 EIAARN CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000005694701 564019138 /nfs/dbraw/zinc/01/91/38/564019138.db2.gz CFFQVBLYCRPCJJ-UHFFFAOYSA-N 0 0 337.235 4.358 50 0 EIAARN COc1ccc(/C=C2\N=C(C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000101416225 564019440 /nfs/dbraw/zinc/01/94/40/564019440.db2.gz VZOYLQSGYNUXJB-BOPFTXTBSA-N 0 0 326.783 4.155 50 0 EIAARN O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1ccc(O)cc1 ZINC000000507442 564019723 /nfs/dbraw/zinc/01/97/23/564019723.db2.gz VAHWSWFHVCNWEO-UHFFFAOYSA-N 0 0 348.789 4.412 50 0 EIAARN COc1ccc(Oc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000000509472 564019869 /nfs/dbraw/zinc/01/98/69/564019869.db2.gz PVXJNSYPXQFALV-UHFFFAOYSA-N 0 0 329.359 4.493 50 0 EIAARN FC(F)(F)C1(C(F)(F)F)N=C2C=CC=CN2C(c2ccccc2)=N1 ZINC000000509284 564019916 /nfs/dbraw/zinc/01/99/16/564019916.db2.gz VQWDGSAAHAAYOK-UHFFFAOYSA-N 0 0 345.246 4.052 50 0 EIAARN COc1cccc(-c2nnc3sc(/C=C\c4ccccc4)nn32)c1 ZINC000102817017 564020725 /nfs/dbraw/zinc/02/07/25/564020725.db2.gz XCGGBKBZBTZEBQ-KHPPLWFESA-N 0 0 334.404 4.032 50 0 EIAARN COc1ccc(C(=O)[C@H](C)OC(=O)Cc2cccc3ccccc32)cc1 ZINC000005714416 564020916 /nfs/dbraw/zinc/02/09/16/564020916.db2.gz ZQIRYRPUSSCEHR-HNNXBMFYSA-N 0 0 348.398 4.206 50 0 EIAARN Cc1cccc(CSc2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)c1 ZINC000000523837 564021172 /nfs/dbraw/zinc/02/11/72/564021172.db2.gz VRLBPOWDHUUWRR-LBPRGKRZSA-N 0 0 349.456 4.256 50 0 EIAARN COc1cccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)c1 ZINC000000531927 564021658 /nfs/dbraw/zinc/02/16/58/564021658.db2.gz NHEILUXZPKBHNZ-DLBZAZTESA-N 0 0 340.814 4.086 50 0 EIAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000000531892 564021663 /nfs/dbraw/zinc/02/16/63/564021663.db2.gz TXGJTRLQWJYPRK-INIZCTEOSA-N 0 0 333.435 4.275 50 0 EIAARN Cc1nn(C(=O)c2c(C)onc2-c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000535098 564022070 /nfs/dbraw/zinc/02/20/70/564022070.db2.gz HJHQAECFXSSPJW-RDTXWAMCSA-N 0 0 347.418 4.139 50 0 EIAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(Cl)cc1 ZINC000000535395 564022112 /nfs/dbraw/zinc/02/21/12/564022112.db2.gz ZCKPCUSJVONTKN-UHFFFAOYSA-N 0 0 342.782 4.169 50 0 EIAARN CCC(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000000540089 564022456 /nfs/dbraw/zinc/02/24/56/564022456.db2.gz CDZBMRQFQCSEBC-UHFFFAOYSA-N 0 0 328.751 4.429 50 0 biogenic EIAARN Cc1ccccc1NCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000000549201 564022928 /nfs/dbraw/zinc/02/29/28/564022928.db2.gz OXNWXVCEWYKNJI-UHFFFAOYSA-N 0 0 341.414 4.306 50 0 EIAARN S=C1N2CCCN2[C@@H](c2ccccc2Cl)N1c1ccccc1 ZINC000000551755 564022985 /nfs/dbraw/zinc/02/29/85/564022985.db2.gz QISSZKUTKJUFEM-MRXNPFEDSA-N 0 0 329.856 4.066 50 0 EIAARN COc1cc(C=O)ccc1OC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000103804397 564023154 /nfs/dbraw/zinc/02/31/54/564023154.db2.gz JZHVZSZKZPVDIJ-XYOKQWHBSA-N 0 0 338.403 4.424 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccc(C)cc2C)sc2c1CCC2 ZINC000000557966 564023157 /nfs/dbraw/zinc/02/31/57/564023157.db2.gz QZMNNNBIWRQMSM-UHFFFAOYSA-N 0 0 343.448 4.283 50 0 EIAARN CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1ccccc1C ZINC000103925409 564023333 /nfs/dbraw/zinc/02/33/33/564023333.db2.gz ZYHCYGGAYWKPTD-CRAIPNDOSA-N 0 0 342.508 4.243 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000014554145 564023532 /nfs/dbraw/zinc/02/35/32/564023532.db2.gz YCJSSIOIGYFWOZ-FMIVXFBMSA-N 0 0 328.437 4.073 50 0 EIAARN O=C(NCCC(c1ccccc1)c1ccccc1)NCc1cccnc1 ZINC000024566900 564023602 /nfs/dbraw/zinc/02/36/02/564023602.db2.gz CLYKYEVEIFXTCZ-UHFFFAOYSA-N 0 0 345.446 4.103 50 0 EIAARN C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2 ZINC000015092288 564023963 /nfs/dbraw/zinc/02/39/63/564023963.db2.gz OEKKZBIAHZCSQI-HNNXBMFYSA-N 0 0 332.447 4.467 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000000579882 564024363 /nfs/dbraw/zinc/02/43/63/564024363.db2.gz HENSLWCHVYETGP-MRXNPFEDSA-N 0 0 333.815 4.453 50 0 EIAARN C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000016087281 564024436 /nfs/dbraw/zinc/02/44/36/564024436.db2.gz WGVMVWRYMZCKML-SECBINFHSA-N 0 0 348.226 4.172 50 0 EIAARN ClC1(Cl)C[C@@H]1CSc1nc2ccccc2c(NC2CC2)n1 ZINC000014854453 564025130 /nfs/dbraw/zinc/02/51/30/564025130.db2.gz SNUUNOIIBYJYLY-SECBINFHSA-N 0 0 340.279 4.490 50 0 EIAARN CN(Cc1csc(-c2cnn(C)c2)n1)[C@@H]1CCCc2ccccc21 ZINC000047265140 564025992 /nfs/dbraw/zinc/02/59/92/564025992.db2.gz AMSDPQPFINEGMB-GOSISDBHSA-N 0 0 338.480 4.053 50 0 EIAARN Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1nnc(C2CC2)s1 ZINC000047347565 564026138 /nfs/dbraw/zinc/02/61/38/564026138.db2.gz NRTJVQYWKACBAH-SNVBAGLBSA-N 0 0 342.424 4.353 50 0 EIAARN CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(F)cc1Cl ZINC000047375361 564026168 /nfs/dbraw/zinc/02/61/68/564026168.db2.gz QFWHTQNIYIQJQQ-UHFFFAOYSA-N 0 0 349.793 4.261 50 0 EIAARN Cc1cc(NC(=O)[C@@H](Sc2nc(C)c(C)o2)c2ccccc2)no1 ZINC000047558916 564026447 /nfs/dbraw/zinc/02/64/47/564026447.db2.gz PUKKXDSLKUZIRG-HNNXBMFYSA-N 0 0 343.408 4.060 50 0 EIAARN COc1ccc([C@@H]2CCCCCN2C(=O)Cc2ccc(C)nc2)cc1 ZINC000047623747 564026545 /nfs/dbraw/zinc/02/65/45/564026545.db2.gz RLPLTBALCIUCTG-FQEVSTJZSA-N 0 0 338.451 4.085 50 0 EIAARN Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000106715408 564026613 /nfs/dbraw/zinc/02/66/13/564026613.db2.gz GNQFJXCUAPMICF-OAHLLOKOSA-N 0 0 337.448 4.300 50 0 EIAARN Cc1cc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)no1 ZINC000044816900 564027150 /nfs/dbraw/zinc/02/71/50/564027150.db2.gz LYCMRQFWUOBGHJ-KRWDZBQOSA-N 0 0 345.402 4.026 50 0 EIAARN Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)c1ccc(C)cc1 ZINC000107943797 564027153 /nfs/dbraw/zinc/02/71/53/564027153.db2.gz AUWSNMVKPHYZFG-QHCPKHFHSA-N 0 0 344.867 4.450 50 0 EIAARN Cc1cc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)no1 ZINC000044816902 564027160 /nfs/dbraw/zinc/02/71/60/564027160.db2.gz LYCMRQFWUOBGHJ-QGZVFWFLSA-N 0 0 345.402 4.026 50 0 EIAARN O=C1CS[C@@H](c2ccsc2)c2cnn(-c3ccccc3)c2N1 ZINC000044890397 564027512 /nfs/dbraw/zinc/02/75/12/564027512.db2.gz WLSGPVBJMDPCFO-HNNXBMFYSA-N 0 0 327.434 4.358 50 0 EIAARN Fc1ccccc1-c1nn2c(nnc2-c2ccccc2Cl)s1 ZINC000045208967 564028264 /nfs/dbraw/zinc/02/82/64/564028264.db2.gz NYZLOMNUXLIKMT-UHFFFAOYSA-N 0 0 330.775 4.312 50 0 EIAARN O=C(CSc1ncc(-c2ccccc2)o1)Nc1ccc(F)c(F)c1 ZINC000045943104 564029008 /nfs/dbraw/zinc/02/90/08/564029008.db2.gz AZAPZYDAZGOANI-UHFFFAOYSA-N 0 0 346.358 4.351 50 0 EIAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2cccc(Cl)c2)c1C ZINC000046045878 564029340 /nfs/dbraw/zinc/02/93/40/564029340.db2.gz KUWMSAJXIFJDMQ-UHFFFAOYSA-N 0 0 348.830 4.033 50 0 EIAARN CC[C@@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1ccccc1C ZINC000046078015 564029468 /nfs/dbraw/zinc/02/94/68/564029468.db2.gz LTHKORZOUBYYEG-GOSISDBHSA-N 0 0 341.846 4.361 50 0 EIAARN CC1(C)Oc2ccc(NC(=O)Nc3ccccc3Cl)cc2NC1=O ZINC000046089227 564029568 /nfs/dbraw/zinc/02/95/68/564029568.db2.gz RUEWGLUNHMPYDF-UHFFFAOYSA-N 0 0 345.786 4.094 50 0 EIAARN Cc1noc(C)c1CN(C)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000046110624 564029610 /nfs/dbraw/zinc/02/96/10/564029610.db2.gz KZPCXJFANBZKKA-UHFFFAOYSA-N 0 0 343.374 4.139 50 0 EIAARN COC(=O)Nc1cccc(NC(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000047711644 564029688 /nfs/dbraw/zinc/02/96/88/564029688.db2.gz MELOKDQHGZWIMB-LLVKDONJSA-N 0 0 345.424 4.078 50 0 EIAARN O=C(Nc1ccc(Oc2cccc(F)c2)nc1)N1CCCCCC1 ZINC000048219217 564030066 /nfs/dbraw/zinc/03/00/66/564030066.db2.gz DLXZFALPJYANRW-UHFFFAOYSA-N 0 0 329.375 4.421 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccco1 ZINC000048261577 564030358 /nfs/dbraw/zinc/03/03/58/564030358.db2.gz RBHIJZSQQXEEAJ-AWEZNQCLSA-N 0 0 343.386 4.381 50 0 EIAARN CN(c1ccccc1)c1ccccc1NC(=O)NCC[C@@H]1CCCO1 ZINC000048251166 564030444 /nfs/dbraw/zinc/03/04/44/564030444.db2.gz FLVRNRJMJFYOIN-KRWDZBQOSA-N 0 0 339.439 4.145 50 0 EIAARN COc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1F ZINC000048303859 564030716 /nfs/dbraw/zinc/03/07/16/564030716.db2.gz LKNMYDQQRBFOHH-OAHLLOKOSA-N 0 0 331.387 4.179 50 0 EIAARN O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000048325358 564030990 /nfs/dbraw/zinc/03/09/90/564030990.db2.gz SIBQZZLRIOZVTP-SFHVURJKSA-N 0 0 326.346 4.423 50 0 EIAARN COCCN(Cc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000048364739 564031496 /nfs/dbraw/zinc/03/14/96/564031496.db2.gz VWJWUWINNSMWSZ-UHFFFAOYSA-N 0 0 328.437 4.052 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1 ZINC000005403269 564032106 /nfs/dbraw/zinc/03/21/06/564032106.db2.gz LPWROBKJAIKQSF-MDZDMXLPSA-N 0 0 332.762 4.089 50 0 EIAARN Cc1nc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cs1 ZINC000048742087 564032126 /nfs/dbraw/zinc/03/21/26/564032126.db2.gz OROLSFQHYCQHHD-UHFFFAOYSA-N 0 0 329.400 4.068 50 0 EIAARN O=C(Nc1nc2c(s1)CCCC2)[C@H](c1ccccc1)n1cccc1 ZINC000049030866 564032432 /nfs/dbraw/zinc/03/24/32/564032432.db2.gz SVJJPDRVRHKMOY-KRWDZBQOSA-N 0 0 337.448 4.052 50 0 EIAARN COc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1 ZINC000005559027 564032708 /nfs/dbraw/zinc/03/27/08/564032708.db2.gz WHNRJUOBATWZBD-CMDGGOBGSA-N 0 0 326.377 4.064 50 0 EIAARN CCCn1c(C)cc(-c2csc(NC(=O)C3CCOCC3)n2)c1C ZINC000024644747 564033160 /nfs/dbraw/zinc/03/31/60/564033160.db2.gz RVHBHPYPKAZSDD-UHFFFAOYSA-N 0 0 347.484 4.004 50 0 EIAARN CCCc1nn(-c2ccccc2Cl)c(C)c1C(=O)NCC(C)C ZINC000006771498 564033502 /nfs/dbraw/zinc/03/35/02/564033502.db2.gz KJFMLSJLBYEVIH-UHFFFAOYSA-N 0 0 333.863 4.172 50 0 EIAARN COc1cc2nc(=S)[nH]c(NCc3ccc(F)cc3)c2cc1OC ZINC000000429289 564033840 /nfs/dbraw/zinc/03/38/40/564033840.db2.gz JYMCGTWXZJAMMJ-UHFFFAOYSA-N 0 0 345.399 4.061 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2C)cnn1-c1cccc(C)c1 ZINC000024830527 564034000 /nfs/dbraw/zinc/03/40/00/564034000.db2.gz KYJISGKCGHCZHB-INIZCTEOSA-N 0 0 333.435 4.289 50 0 EIAARN COc1ccccc1Oc1ccc(NC(=O)c2ocnc2C)cc1F ZINC000081588992 564034031 /nfs/dbraw/zinc/03/40/31/564034031.db2.gz TYEJLWWMJLZWJE-UHFFFAOYSA-N 0 0 342.326 4.175 50 0 EIAARN CCOc1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)cc1 ZINC000003179156 564034289 /nfs/dbraw/zinc/03/42/89/564034289.db2.gz WQTCJNNSDSUSEE-UHFFFAOYSA-N 0 0 332.403 4.375 50 0 EIAARN Cc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3C)cc1C ZINC000007448159 564034357 /nfs/dbraw/zinc/03/43/57/564034357.db2.gz LWCGTDGYQFRYGZ-UHFFFAOYSA-N 0 0 336.443 4.078 50 0 EIAARN COc1ccc(OC)c([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c1 ZINC000000817722 564034995 /nfs/dbraw/zinc/03/49/95/564034995.db2.gz XQAQDTYKHUMSLJ-FQEVSTJZSA-N 0 0 335.407 4.157 50 0 EIAARN CN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2cccc(F)c2)c1 ZINC000221290826 564036131 /nfs/dbraw/zinc/03/61/31/564036131.db2.gz REXDAJSXMNRXLF-LJQANCHMSA-N 0 0 327.399 4.134 50 0 EIAARN O=c1oc2cc(Oc3ncnc4ccsc43)ccc2c2c1CCC2 ZINC000032853420 564036241 /nfs/dbraw/zinc/03/62/41/564036241.db2.gz MRACAKWHGDBVQQ-UHFFFAOYSA-N 0 0 336.372 4.079 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N3CCC[C@@H]3c3cccs3)cnc21 ZINC000032868995 564036245 /nfs/dbraw/zinc/03/62/45/564036245.db2.gz ZCOAXQVAYLBDIX-OAHLLOKOSA-N 0 0 340.452 4.051 50 0 EIAARN CC1=NN(c2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2)CC1 ZINC000032926105 564036299 /nfs/dbraw/zinc/03/62/99/564036299.db2.gz AZNWEOYPAZEHMX-UHFFFAOYSA-N 0 0 341.842 4.198 50 0 EIAARN Cc1ccc(CC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000032930153 564036314 /nfs/dbraw/zinc/03/63/14/564036314.db2.gz OXURPASUUMIISX-UHFFFAOYSA-N 0 0 325.305 4.012 50 0 EIAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(F)cc1Cl ZINC000026298941 564039688 /nfs/dbraw/zinc/03/96/88/564039688.db2.gz QKHPNOVNUYCGTI-ZDUSSCGKSA-N 0 0 344.821 4.253 50 0 EIAARN CCOc1cc(C(F)(F)F)cc(NCc2cn(C(C)C)nc2C)n1 ZINC000225431723 564046658 /nfs/dbraw/zinc/04/66/58/564046658.db2.gz CILQCRIFYFSZSI-UHFFFAOYSA-N 0 0 342.365 4.197 50 0 EIAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C1 ZINC000239125195 564051571 /nfs/dbraw/zinc/05/15/71/564051571.db2.gz KBSWKXKTLUQVDA-CCKFTAQKSA-N 0 0 335.403 4.405 50 0 EIAARN C[C@H](N[C@@H](C)c1cccc(O)c1)c1nnc(-c2cccc(F)c2)s1 ZINC000241371278 564051986 /nfs/dbraw/zinc/05/19/86/564051986.db2.gz MMBXREIUGNSRPO-RYUDHWBXSA-N 0 0 343.427 4.462 50 0 EIAARN Cc1ccc(C)c(SCC(=O)Nc2cccc3nsnc32)c1 ZINC000019078551 564053333 /nfs/dbraw/zinc/05/33/33/564053333.db2.gz QYSAVLIMTBLVMZ-UHFFFAOYSA-N 0 0 329.450 4.039 50 0 EIAARN CC[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccccc2F)C1=O ZINC000000981317 564053826 /nfs/dbraw/zinc/05/38/26/564053826.db2.gz YHKRMUYDMVTNKX-COOUDCDJSA-N 0 0 344.411 4.451 50 0 EIAARN Cc1oc(C)c(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1C ZINC000025250173 564053969 /nfs/dbraw/zinc/05/39/69/564053969.db2.gz SYFHURDHLPOZJE-UHFFFAOYSA-N 0 0 335.407 4.011 50 0 EIAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1F ZINC000001105165 564054498 /nfs/dbraw/zinc/05/44/98/564054498.db2.gz SYJPYSNIYHXGRI-UHFFFAOYSA-N 0 0 336.388 4.305 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@H]3[C@H](O)C[C@H]2C1 ZINC000257346353 564055875 /nfs/dbraw/zinc/05/58/75/564055875.db2.gz YQMXIAABFQDHTC-QZBQPBHFSA-N 0 0 334.500 4.322 50 0 EIAARN COc1ccc(N2C[C@@H](c3nc4cc(Cl)ccc4o3)CC2=O)cc1 ZINC000082087155 564056181 /nfs/dbraw/zinc/05/61/81/564056181.db2.gz MEQOFQDBQOWYRO-NSHDSACASA-N 0 0 342.782 4.010 50 0 EIAARN CCOC(=O)c1ccc(-c2ccc(Br)cc2)nc1Cl ZINC000263623264 564056467 /nfs/dbraw/zinc/05/64/67/564056467.db2.gz GAOAIFTVTDVBIB-UHFFFAOYSA-N 0 0 340.604 4.341 50 0 EIAARN CCOc1ccc(NC(=O)c2ccncc2CC)c(C(F)(F)F)c1 ZINC000183250660 564056793 /nfs/dbraw/zinc/05/67/93/564056793.db2.gz MJQVNKBTSZGSKJ-UHFFFAOYSA-N 0 0 338.329 4.314 50 0 EIAARN CC[C@@H](C)c1ccccc1NS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000006004309 564057571 /nfs/dbraw/zinc/05/75/71/564057571.db2.gz MWRCMDQJFIVWLV-CYBMUJFWSA-N 0 0 331.437 4.204 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(F)cc1 ZINC000006035562 564057707 /nfs/dbraw/zinc/05/77/07/564057707.db2.gz AEVOJSFFSANDMZ-SNVBAGLBSA-N 0 0 344.367 4.458 50 0 EIAARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001934044 564058092 /nfs/dbraw/zinc/05/80/92/564058092.db2.gz JXVXVUVKXIHWCE-UHFFFAOYSA-N 0 0 345.826 4.433 50 0 EIAARN O=C(C(c1ccccc1)c1ccccc1)N1CCCc2ncccc21 ZINC000012527226 564058185 /nfs/dbraw/zinc/05/81/85/564058185.db2.gz DGCXYUFXQXNOAV-UHFFFAOYSA-N 0 0 328.415 4.193 50 0 EIAARN C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000012539052 564058477 /nfs/dbraw/zinc/05/84/77/564058477.db2.gz WVHWTUJGRWRZPO-LBPRGKRZSA-N 0 0 327.815 4.026 50 0 EIAARN c1ccc(OCCOc2ccccc2-c2nnc3n2CCCCC3)cc1 ZINC000003241696 564058615 /nfs/dbraw/zinc/05/86/15/564058615.db2.gz FYXUZQMQOMTSFC-UHFFFAOYSA-N 0 0 349.434 4.129 50 0 EIAARN CC(C)N(C(=O)CSc1ncnc2ccccc21)c1ccccc1 ZINC000003254526 564058711 /nfs/dbraw/zinc/05/87/11/564058711.db2.gz AJDQHKANKCRETP-UHFFFAOYSA-N 0 0 337.448 4.164 50 0 EIAARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1C ZINC000012542548 564058723 /nfs/dbraw/zinc/05/87/23/564058723.db2.gz GCNHCBKSDYYEKE-ZDUSSCGKSA-N 0 0 334.366 4.344 50 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Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3F)c12 ZINC000012770406 564068869 /nfs/dbraw/zinc/06/88/69/564068869.db2.gz UTWPMEMRVAOMKV-UHFFFAOYSA-N 0 0 345.761 4.453 50 0 EIAARN O=C(OC[C@H]1CCCO1)c1cc(-c2cccs2)nc2ccccc21 ZINC000084591046 564068881 /nfs/dbraw/zinc/06/88/81/564068881.db2.gz JHLDSQLYXQJRPE-CYBMUJFWSA-N 0 0 339.416 4.299 50 0 EIAARN OCCOc1cc(F)ccc1NCc1cc2ccccc2nc1Cl ZINC000084594814 564068884 /nfs/dbraw/zinc/06/88/84/564068884.db2.gz ILAMQFDGVNJJJD-UHFFFAOYSA-N 0 0 346.789 4.011 50 0 EIAARN CC(C)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000012772744 564069072 /nfs/dbraw/zinc/06/90/72/564069072.db2.gz GWLBSPNMGKJINM-UHFFFAOYSA-N 0 0 336.435 4.185 50 0 EIAARN O=C(OCc1ccc(Cl)s1)c1ccc(Cn2cccn2)cc1 ZINC000084615280 564069146 /nfs/dbraw/zinc/06/91/46/564069146.db2.gz MGWIWZAKBAUDGZ-UHFFFAOYSA-N 0 0 332.812 4.003 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)Nc2cnc3ccccc3c2)cc1 ZINC000012774176 564069150 /nfs/dbraw/zinc/06/91/50/564069150.db2.gz ZDVWZDGKMDCXBL-UHFFFAOYSA-N 0 0 348.402 4.235 50 0 EIAARN C[C@H](c1ccccc1F)[S@@](=O)Cc1ccc(-n2cccn2)cc1 ZINC000084660662 564069469 /nfs/dbraw/zinc/06/94/69/564069469.db2.gz VKELPJQDFXQNSZ-QKFKETGDSA-N 0 0 328.412 4.021 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)c1cccs1 ZINC000012777319 564069592 /nfs/dbraw/zinc/06/95/92/564069592.db2.gz XNJQOYRDEXJOMH-LLVKDONJSA-N 0 0 343.427 4.181 50 0 EIAARN Cc1ncccc1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000219045945 564069689 /nfs/dbraw/zinc/06/96/89/564069689.db2.gz HYDHPHRQPREHBS-KRWDZBQOSA-N 0 0 346.883 4.364 50 0 EIAARN C[C@@H]1CO[C@@H](C)CN1C(=O)c1cc2sc3ccccc3c2s1 ZINC000084705527 564069731 /nfs/dbraw/zinc/06/97/31/564069731.db2.gz GCJMTZUUGJVYCA-MNOVXSKESA-N 0 0 331.462 4.365 50 0 EIAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)NCc1ccc(F)cc1 ZINC000015671776 564070486 /nfs/dbraw/zinc/07/04/86/564070486.db2.gz UZNSLEMXPOJJPS-KRWDZBQOSA-N 0 0 329.419 4.002 50 0 EIAARN S=C1N=NC(c2ccncc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000005687905 564070599 /nfs/dbraw/zinc/07/05/99/564070599.db2.gz YZPAGIZAJQYMEJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/07/42/14/564074214.db2.gz DIDJJIFYLFFCHZ-UHFFFAOYSA-N 0 0 334.423 4.212 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(F)c(F)c1F ZINC000012820929 564074337 /nfs/dbraw/zinc/07/43/37/564074337.db2.gz AEYZUZUJTSILEW-UHFFFAOYSA-N 0 0 346.308 4.249 50 0 EIAARN C[C@@H]1CCn2c(nc3cc(C(=O)NC4CCCCCCC4)ccc32)C1 ZINC000015786884 564074921 /nfs/dbraw/zinc/07/49/21/564074921.db2.gz FGWQHUHBUNDWGZ-OAHLLOKOSA-N 0 0 339.483 4.461 50 0 EIAARN C[C@H](NC(=O)COc1ccc(F)c(Cl)c1)c1cc2ccccc2o1 ZINC000012852833 564075401 /nfs/dbraw/zinc/07/54/01/564075401.db2.gz VKVTZVAUEKNKTL-NSHDSACASA-N 0 0 347.773 4.482 50 0 EIAARN O[C@@H]1CCCC[C@@H]1Oc1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000086278391 564075520 /nfs/dbraw/zinc/07/55/20/564075520.db2.gz JVCJQLDNNSNLMV-MSOLQXFVSA-N 0 0 344.480 4.315 50 0 EIAARN C[C@@H](NC(=O)N([C@H](C)c1ccccn1)C1CC1)c1ccc(F)c(F)c1 ZINC000086338438 564075547 /nfs/dbraw/zinc/07/55/47/564075547.db2.gz VDCZCQRNIMAAED-CHWSQXEVSA-N 0 0 345.393 4.356 50 0 EIAARN CC(C)[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccncc1 ZINC000086398548 564075619 /nfs/dbraw/zinc/07/56/19/564075619.db2.gz BDQOMXVHPGSWAL-KBXCAEBGSA-N 0 0 327.428 4.307 50 0 EIAARN Cc1csc([C@@H](NC(=O)N([C@@H](C)c2ccco2)C2CC2)C2CC2)n1 ZINC000086424501 564075634 /nfs/dbraw/zinc/07/56/34/564075634.db2.gz ISMGKSAGPYIYAM-LRDDRELGSA-N 0 0 345.468 4.431 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(C)c1 ZINC000012866244 564075817 /nfs/dbraw/zinc/07/58/17/564075817.db2.gz DHOVLDNJWMXLHO-OAHLLOKOSA-N 0 0 343.448 4.431 50 0 EIAARN C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(OC(F)F)cc1 ZINC000012869251 564075899 /nfs/dbraw/zinc/07/58/99/564075899.db2.gz YUIMIHARHSOKJU-SECBINFHSA-N 0 0 327.277 4.057 50 0 EIAARN COc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(C)c(C)c1)CC3 ZINC000015842137 564076630 /nfs/dbraw/zinc/07/66/30/564076630.db2.gz OJOIMQFGVMEPMH-UHFFFAOYSA-N 0 0 332.403 4.063 50 0 EIAARN COc1cccc(NC(=O)Cc2sc(C)nc2-c2cccs2)c1 ZINC000015840179 564076673 /nfs/dbraw/zinc/07/66/73/564076673.db2.gz VNGILERZRGSDHU-UHFFFAOYSA-N 0 0 344.461 4.370 50 0 EIAARN O=C(CCc1ccc(-c2ccc(F)cc2)o1)NCCc1ccccc1 ZINC000015867429 564077187 /nfs/dbraw/zinc/07/71/87/564077187.db2.gz WVIZXYCPEWCGJD-UHFFFAOYSA-N 0 0 337.394 4.377 50 0 EIAARN C[C@H]1CN(C(=O)c2cc(COC(C)(C)C)on2)c2ccccc2S1 ZINC000186356379 564077348 /nfs/dbraw/zinc/07/73/48/564077348.db2.gz UXBNOBZJGJESFG-LBPRGKRZSA-N 0 0 346.452 4.131 50 0 EIAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CC(C)C)cc1 ZINC000012881688 564077429 /nfs/dbraw/zinc/07/74/29/564077429.db2.gz JTPWCSXCJPTXBG-UHFFFAOYSA-N 0 0 340.423 4.322 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)cc1C ZINC000015882977 564077440 /nfs/dbraw/zinc/07/74/40/564077440.db2.gz XJJUIAJWAWMBQC-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN O=S(=O)(Nc1c(F)cccc1F)c1c(Cl)cccc1Cl ZINC000012898850 564077665 /nfs/dbraw/zinc/07/76/65/564077665.db2.gz RWSJKVCXIMFFON-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN O=C(Nc1ccccc1SC(F)F)c1cnn(-c2ccccc2)c1 ZINC000012901060 564077738 /nfs/dbraw/zinc/07/77/38/564077738.db2.gz UASSNBUSLUOQRN-UHFFFAOYSA-N 0 0 345.374 4.439 50 0 EIAARN O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCCC1 ZINC000012901632 564077741 /nfs/dbraw/zinc/07/77/41/564077741.db2.gz MJHRXRKSWMVDNP-UHFFFAOYSA-N 0 0 336.366 4.384 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1OC ZINC000012909975 564077873 /nfs/dbraw/zinc/07/78/73/564077873.db2.gz QPKZLNXJZLUUGZ-UHFFFAOYSA-N 0 0 338.363 4.001 50 0 EIAARN O=C(Nc1nccs1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000012918194 564078091 /nfs/dbraw/zinc/07/80/91/564078091.db2.gz KERJYMAUPQOAFO-QGZVFWFLSA-N 0 0 348.431 4.089 50 0 EIAARN Cc1nc(-c2cc(C(=O)Nc3ccc(Cl)cc3)n(C)c2)cs1 ZINC000012915582 564078107 /nfs/dbraw/zinc/07/81/07/564078107.db2.gz UFXFTFXBWNSINM-UHFFFAOYSA-N 0 0 331.828 4.363 50 0 EIAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Cl)cc(Cl)c1 ZINC000012924201 564078463 /nfs/dbraw/zinc/07/84/63/564078463.db2.gz LKRHNVQNOMQVQO-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc(Cl)ccc1Cl ZINC000012926369 564078539 /nfs/dbraw/zinc/07/85/39/564078539.db2.gz SLECRQQZLQFPRG-UHFFFAOYSA-N 0 0 349.217 4.138 50 0 EIAARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] ZINC000005601507 564078648 /nfs/dbraw/zinc/07/86/48/564078648.db2.gz ULYZQKIYKCVMQO-GZTJUZNOSA-N 0 0 335.363 4.018 50 0 EIAARN Cc1c(C(=O)Nc2nc3ccccc3s2)cnn1-c1ccc(C)cc1 ZINC000012933284 564078970 /nfs/dbraw/zinc/07/89/70/564078970.db2.gz OKLRRXLTDFTMRP-UHFFFAOYSA-N 0 0 348.431 4.351 50 0 EIAARN CC(=O)c1c(C)cc(C)c(CN(CCCO)c2ccccc2)c1C ZINC000075106320 564080109 /nfs/dbraw/zinc/08/01/09/564080109.db2.gz SQDIXKBAOPSVNJ-UHFFFAOYSA-N 0 0 325.452 4.203 50 0 EIAARN O=C(C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000075106620 564080134 /nfs/dbraw/zinc/08/01/34/564080134.db2.gz HCZIYTPLSUPLHR-CQSZACIVSA-N 0 0 333.840 4.279 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000075108209 564080216 /nfs/dbraw/zinc/08/02/16/564080216.db2.gz VIMWLXBDGDXBMK-ROUUACIJSA-N 0 0 346.471 4.045 50 0 EIAARN COc1c(NC(=O)Nc2ccccc2-c2ccccc2)c(C)nn1C ZINC000075107830 564080223 /nfs/dbraw/zinc/08/02/23/564080223.db2.gz KYXBEJAHAQOTRH-UHFFFAOYSA-N 0 0 336.395 4.048 50 0 EIAARN FC(F)(F)Cc1cccc(NCc2nnc(-c3ccccc3)o2)c1 ZINC000075110237 564080290 /nfs/dbraw/zinc/08/02/90/564080290.db2.gz UHWGWKYTJYJVRA-UHFFFAOYSA-N 0 0 333.313 4.454 50 0 EIAARN Cc1noc(C)c1NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000075134348 564080523 /nfs/dbraw/zinc/08/05/23/564080523.db2.gz BVRQCJDYFBBMCK-LLVKDONJSA-N 0 0 342.424 4.298 50 0 EIAARN CC(=O)Nc1cc(NC(=O)Nc2ccc3c(c2)CCC3)c(F)cc1F ZINC000075138321 564080569 /nfs/dbraw/zinc/08/05/69/564080569.db2.gz MFASBHPSJAQXOV-UHFFFAOYSA-N 0 0 345.349 4.056 50 0 EIAARN Cc1ccc2[nH]c(C3CN(C(=O)c4cccc5ccccc54)C3)nc2c1 ZINC000075156447 564080882 /nfs/dbraw/zinc/08/08/82/564080882.db2.gz PDKORTITRGDLTJ-UHFFFAOYSA-N 0 0 341.414 4.264 50 0 EIAARN O=C(COc1ccc(Cl)cc1)N1CCC(c2cccs2)CC1 ZINC000075157044 564080909 /nfs/dbraw/zinc/08/09/09/564080909.db2.gz QAMLGPWHJNXAQM-UHFFFAOYSA-N 0 0 335.856 4.187 50 0 EIAARN O=C(c1nc2ccccc2s1)N1CCC(c2cccs2)CC1 ZINC000075157034 564080933 /nfs/dbraw/zinc/08/09/33/564080933.db2.gz AVLIIAKXMYZWII-UHFFFAOYSA-N 0 0 328.462 4.378 50 0 EIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)c1c[nH]c2ccccc21 ZINC000075260467 564081256 /nfs/dbraw/zinc/08/12/56/564081256.db2.gz MHUKABOCYXBGKD-QWQRMKEZSA-N 0 0 327.424 4.355 50 0 EIAARN Cc1sccc1CC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000346261264 564081764 /nfs/dbraw/zinc/08/17/64/564081764.db2.gz ZAOPONIVUUZLQN-ROUUACIJSA-N 0 0 347.455 4.117 50 0 EIAARN CCOc1ccccc1NC(=O)NCc1ccc(-c2ccco2)o1 ZINC000575610182 564082550 /nfs/dbraw/zinc/08/25/50/564082550.db2.gz LQEUGDXYNBHZGT-UHFFFAOYSA-N 0 0 326.352 4.260 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccsc2)o1 ZINC000575609785 564082565 /nfs/dbraw/zinc/08/25/65/564082565.db2.gz HAPGMZBDEXMSEK-ZDUSSCGKSA-N 0 0 327.405 4.092 50 0 EIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000006314732 564084499 /nfs/dbraw/zinc/08/44/99/564084499.db2.gz GAHCZKPDOIKERW-UHFFFAOYSA-N 0 0 349.761 4.184 50 0 EIAARN Cc1cc(C)n([C@H](CNC(=O)Nc2cccs2)c2cccs2)n1 ZINC000575611487 564082637 /nfs/dbraw/zinc/08/26/37/564082637.db2.gz VPDQQRXXVFKZMP-CYBMUJFWSA-N 0 0 346.481 4.034 50 0 EIAARN Fc1ccccc1C1=Nn2c(nnc2-c2ccccc2Cl)SC1 ZINC000006227293 564083089 /nfs/dbraw/zinc/08/30/89/564083089.db2.gz VTXRSYZYSXLRPI-UHFFFAOYSA-N 0 0 344.802 4.096 50 0 EIAARN O=c1c2ccccc2nc(N2CCCCC2)n1-c1ccc(Cl)cc1 ZINC000035419344 564083379 /nfs/dbraw/zinc/08/33/79/564083379.db2.gz DKGBBPSKKMXJFE-UHFFFAOYSA-N 0 0 339.826 4.029 50 0 EIAARN O=C(Cc1cccs1)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575618375 564083629 /nfs/dbraw/zinc/08/36/29/564083629.db2.gz BDTJMIPFSFEDFL-UHFFFAOYSA-N 0 0 337.448 4.129 50 0 EIAARN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(F)cc1Cl ZINC000075437361 564084739 /nfs/dbraw/zinc/08/47/39/564084739.db2.gz QPARJGBDTKQWPN-UHFFFAOYSA-N 0 0 341.773 4.497 50 0 EIAARN Cc1noc(C)c1CSc1nccn2nc(-c3ccccc3)cc12 ZINC000090610230 564084982 /nfs/dbraw/zinc/08/49/82/564084982.db2.gz FFFFJPRELJLPKQ-UHFFFAOYSA-N 0 0 336.420 4.293 50 0 EIAARN O=C(/C=C/c1ccccc1F)Nc1nnc(-c2cccs2)s1 ZINC000006322776 564085031 /nfs/dbraw/zinc/08/50/31/564085031.db2.gz JYAYSTFSCPGFGQ-BQYQJAHWSA-N 0 0 331.397 4.058 50 0 EIAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCc3ccco3)c2c1 ZINC000006401290 564085588 /nfs/dbraw/zinc/08/55/88/564085588.db2.gz UBOSEQSRLSAGDH-UHFFFAOYSA-N 0 0 343.386 4.128 50 0 EIAARN Cc1nc(C(=O)Nc2ccc3c(c2)OCO3)cc2c3ccccc3[nH]c21 ZINC000018190354 564085650 /nfs/dbraw/zinc/08/56/50/564085650.db2.gz APIBEYJKAAETFH-UHFFFAOYSA-N 0 0 345.358 4.006 50 0 EIAARN COc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)ccc1C ZINC000012987360 564085723 /nfs/dbraw/zinc/08/57/23/564085723.db2.gz IOTCMUOUOHNCLR-UHFFFAOYSA-N 0 0 347.798 4.071 50 0 EIAARN O=C(Nc1nc(Cl)ccc1Cl)c1cc(-c2ccccc2)no1 ZINC000151091064 564085764 /nfs/dbraw/zinc/08/57/64/564085764.db2.gz YFFHPXYGLUDFAV-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN O=C(NCCOc1ccc2ccccc2c1)c1cccc(Cl)c1 ZINC000012989331 564085780 /nfs/dbraw/zinc/08/57/80/564085780.db2.gz BOZPJNKRSBAARV-UHFFFAOYSA-N 0 0 325.795 4.302 50 0 EIAARN CN(C(=O)c1cccc(Br)c1)[C@@H]1CCc2ccccc21 ZINC000012996432 564086042 /nfs/dbraw/zinc/08/60/42/564086042.db2.gz FRVRFFAEISCHAO-MRXNPFEDSA-N 0 0 330.225 4.209 50 0 EIAARN O=C(c1ccc(OC(F)F)cc1)N1CCCSc2ccccc21 ZINC000012997233 564086053 /nfs/dbraw/zinc/08/60/53/564086053.db2.gz VGROMAFZWHDFEN-UHFFFAOYSA-N 0 0 335.375 4.431 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)ccc2F)cc1 ZINC000012999087 564086250 /nfs/dbraw/zinc/08/62/50/564086250.db2.gz QUVRHBQWAXYDPJ-QGZVFWFLSA-N 0 0 333.790 4.465 50 0 EIAARN C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000013008838 564086458 /nfs/dbraw/zinc/08/64/58/564086458.db2.gz BFVKVZOFWOLBQK-AWEZNQCLSA-N 0 0 341.455 4.023 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)COc2cccc(C)c2C)cc1 ZINC000013010545 564086505 /nfs/dbraw/zinc/08/65/05/564086505.db2.gz DHERCAZVYDMJJX-LJQANCHMSA-N 0 0 339.435 4.055 50 0 EIAARN O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1cccnc1 ZINC000253407887 564087036 /nfs/dbraw/zinc/08/70/36/564087036.db2.gz KGRYSDZAGXODCQ-QGZVFWFLSA-N 0 0 325.799 4.155 50 0 EIAARN CON(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000104632737 564087156 /nfs/dbraw/zinc/08/71/56/564087156.db2.gz CTQKBGAKJCUMLV-YPKPFQOOSA-N 0 0 348.402 4.338 50 0 EIAARN CCn1c(SCc2ccccc2Cl)nnc1-c1ccccn1 ZINC000000523756 564087907 /nfs/dbraw/zinc/08/79/07/564087907.db2.gz QAMJUKJMZSZHLF-UHFFFAOYSA-N 0 0 330.844 4.306 50 0 EIAARN Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 ZINC000239309772 564088065 /nfs/dbraw/zinc/08/80/65/564088065.db2.gz HVPVPQFZGNASDB-OWVDYMSYSA-N 0 0 326.484 4.056 50 0 EIAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)Cc2ccsc2)s1 ZINC000075606875 564089787 /nfs/dbraw/zinc/08/97/87/564089787.db2.gz HVGCUVBPTOWEDC-CMPLNLGQSA-N 0 0 337.514 4.155 50 0 EIAARN Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000006478635 564089976 /nfs/dbraw/zinc/08/99/76/564089976.db2.gz YMZBERNZWJUGHH-UHFFFAOYSA-N 0 0 338.388 4.100 50 0 EIAARN O=c1c2c(nc3n1CCCCC3)-c1ccccc1CC21CCCCC1 ZINC000000330295 564090479 /nfs/dbraw/zinc/09/04/79/564090479.db2.gz DTKMVWZKEUHMRJ-UHFFFAOYSA-N 0 0 334.463 4.395 50 0 biogenic EIAARN CC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000252588398 564090643 /nfs/dbraw/zinc/09/06/43/564090643.db2.gz ABYXJLPKQBCIGN-DOYFYCROSA-N 0 0 326.312 4.004 50 0 EIAARN O=C(N/N=C/C(Br)=C/c1ccccc1)Nc1ccccc1 ZINC000008110942 564091162 /nfs/dbraw/zinc/09/11/62/564091162.db2.gz DUGRIXCALFSETO-OIKHISIKSA-N 0 0 344.212 4.230 50 0 EIAARN C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000006510623 564091326 /nfs/dbraw/zinc/09/13/26/564091326.db2.gz WNSBKDXCKAYCNT-SNVBAGLBSA-N 0 0 330.236 4.033 50 0 EIAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)c3ccccc3)cc2c1 ZINC000006521906 564091418 /nfs/dbraw/zinc/09/14/18/564091418.db2.gz HSADJMBMFMVBCP-UHFFFAOYSA-N 0 0 334.419 4.026 50 0 EIAARN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@H]2c1cccc(N)c1 ZINC000016652240 564091424 /nfs/dbraw/zinc/09/14/24/564091424.db2.gz BVMLGIDRODFNIZ-QYWGDWMGSA-N 0 0 339.435 4.432 50 0 EIAARN Cc1c(Cl)cnn1[C@H](C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000006527581 564091447 /nfs/dbraw/zinc/09/14/47/564091447.db2.gz PUIVAPHRKNSZIW-HDPALTEOSA-N 0 0 346.862 4.305 50 0 EIAARN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)c(C)cc1Cl ZINC000006527733 564091448 /nfs/dbraw/zinc/09/14/48/564091448.db2.gz QJZAVEUXLQYZSB-UHFFFAOYSA-N 0 0 335.856 4.098 50 0 EIAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1N)c1ccccc1Cl ZINC000006532736 564091637 /nfs/dbraw/zinc/09/16/37/564091637.db2.gz NQZSVZGTKAYUHG-JTQLQIEISA-N 0 0 348.834 4.305 50 0 EIAARN COC(=O)c1ccccc1NC(=S)Nc1cccc(Cl)c1C ZINC000006545642 564091904 /nfs/dbraw/zinc/09/19/04/564091904.db2.gz DXBGUQJNIUUUHW-UHFFFAOYSA-N 0 0 334.828 4.244 50 0 EIAARN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1cccc(F)c1 ZINC000006559344 564092035 /nfs/dbraw/zinc/09/20/35/564092035.db2.gz IJAHLAXKZZBAGP-NSHDSACASA-N 0 0 338.785 4.077 50 0 EIAARN Cc1nc(Cl)ccc1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000089536908 564092733 /nfs/dbraw/zinc/09/27/33/564092733.db2.gz AIUFZIHYSHZWLQ-UHFFFAOYSA-N 0 0 344.720 4.123 50 0 EIAARN Cc1occc1C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000089540641 564092780 /nfs/dbraw/zinc/09/27/80/564092780.db2.gz QRFLVFYMJCEYCL-QGZVFWFLSA-N 0 0 326.783 4.156 50 0 EIAARN CCCCOc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000002055573 564093481 /nfs/dbraw/zinc/09/34/81/564093481.db2.gz PCOZCGXCKRLIES-LDADJPATSA-N 0 0 339.366 4.349 50 0 EIAARN Cn1ccnc1-c1ccccc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000426434422 564093751 /nfs/dbraw/zinc/09/37/51/564093751.db2.gz GWICRAYSZJJYMR-UHFFFAOYSA-N 0 0 343.430 4.017 50 0 EIAARN C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000426465334 564093803 /nfs/dbraw/zinc/09/38/03/564093803.db2.gz WPDQFCFACQUYAM-BETUJISGSA-N 0 0 347.817 4.396 50 0 EIAARN O=C(NCc1csc2c1CCCC2)c1cnoc1-c1ccccc1 ZINC000426525770 564094008 /nfs/dbraw/zinc/09/40/08/564094008.db2.gz AMYLRASSHIPKOT-UHFFFAOYSA-N 0 0 338.432 4.212 50 0 EIAARN CO[C@H]1CCCN(C(=O)c2ccc(-c3nccc4ccccc43)cc2)C1 ZINC000426567135 564094150 /nfs/dbraw/zinc/09/41/50/564094150.db2.gz SPNDHZWWZPYLMB-IBGZPJMESA-N 0 0 346.430 4.153 50 0 EIAARN CCc1ccc(CNC(=O)c2cc3cccc4c3n2C[C@@H](CC)O4)cc1 ZINC000064657972 564094821 /nfs/dbraw/zinc/09/48/21/564094821.db2.gz RIEGXZIHKUFACN-GOSISDBHSA-N 0 0 348.446 4.305 50 0 EIAARN Cc1cccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000064667225 564094945 /nfs/dbraw/zinc/09/49/45/564094945.db2.gz QVRQPBWYTUJAFP-MRXNPFEDSA-N 0 0 337.810 4.308 50 0 EIAARN O=C(CSc1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000006646664 564095069 /nfs/dbraw/zinc/09/50/69/564095069.db2.gz RUFUGEGDMINAME-UHFFFAOYSA-N 0 0 341.432 4.459 50 0 EIAARN O=C(Nc1cccc(CCc2ccccn2)c1)c1c(F)cccc1F ZINC000006659416 564095523 /nfs/dbraw/zinc/09/55/23/564095523.db2.gz QEQQGHVSGZNUKY-UHFFFAOYSA-N 0 0 338.357 4.397 50 0 EIAARN CC(C)c1ccc(S(=O)(=O)Nc2cccc3cnccc32)cc1 ZINC000006706664 564096261 /nfs/dbraw/zinc/09/62/61/564096261.db2.gz NTOFDFWAIXBURU-UHFFFAOYSA-N 0 0 326.421 4.159 50 0 EIAARN CC(C)c1cc(Nc2cccc(F)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791025 564096270 /nfs/dbraw/zinc/09/62/70/564096270.db2.gz RDEVCGNURLQAGZ-UHFFFAOYSA-N 0 0 348.385 4.192 50 0 EIAARN CCCSCCCNc1ncnc2c(-c3ccccc3)noc21 ZINC000064820859 564096600 /nfs/dbraw/zinc/09/66/00/564096600.db2.gz RODBNZIEIRQHCQ-UHFFFAOYSA-N 0 0 328.441 4.230 50 0 EIAARN CSCC[C@@H]1COC(c2cccn2Cc2ccc(SC)cc2)=N1 ZINC000006729547 564096625 /nfs/dbraw/zinc/09/66/25/564096625.db2.gz WKAVELWPVPDXCH-OAHLLOKOSA-N 0 0 346.521 4.157 50 0 EIAARN O=C(CSc1nc(-c2ccc(Cl)cc2)c[nH]1)NC1CCCCC1 ZINC000006733171 564096632 /nfs/dbraw/zinc/09/66/32/564096632.db2.gz GOLJQJLPPKLEIH-UHFFFAOYSA-N 0 0 349.887 4.271 50 0 EIAARN CCCc1nn(-c2ccccc2Cl)c(C)c1C(=O)N1CCCC1 ZINC000006773701 564097572 /nfs/dbraw/zinc/09/75/72/564097572.db2.gz GPWFPBPEONZVGM-UHFFFAOYSA-N 0 0 331.847 4.023 50 0 EIAARN COc1ccccc1/C=C/C(=O)Nc1cc(C)ccc1OC(F)F ZINC000006787892 564097803 /nfs/dbraw/zinc/09/78/03/564097803.db2.gz FSWXXHGUGNGUHU-CSKARUKUSA-N 0 0 333.334 4.257 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000006789158 564097859 /nfs/dbraw/zinc/09/78/59/564097859.db2.gz GMJRBAAWGYAQFE-UHFFFAOYSA-N 0 0 331.799 4.370 50 0 EIAARN COc1ccc(OC)c(Nc2cc(Nc3ccc(C)cc3)ncn2)c1 ZINC000006793870 564098038 /nfs/dbraw/zinc/09/80/38/564098038.db2.gz IIPJFTFDLHOLOE-UHFFFAOYSA-N 0 0 336.395 4.289 50 0 EIAARN COC(=O)c1ccc(Nc2cc(Nc3ccc(C)cc3)ncn2)cc1 ZINC000006793744 564098060 /nfs/dbraw/zinc/09/80/60/564098060.db2.gz FUBIPUFLAVRABL-UHFFFAOYSA-N 0 0 334.379 4.059 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)n1sc2ccccc2c1=O ZINC000006799903 564098142 /nfs/dbraw/zinc/09/81/42/564098142.db2.gz RKLGXWGBPFPEJV-NSHDSACASA-N 0 0 346.839 4.225 50 0 EIAARN Cc1cc(C)cc(NC(=O)CCCn2sc3ccccc3c2=O)c1 ZINC000006800170 564098199 /nfs/dbraw/zinc/09/81/99/564098199.db2.gz GHOMSQJOBHROOD-UHFFFAOYSA-N 0 0 340.448 4.099 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000006800790 564098245 /nfs/dbraw/zinc/09/82/45/564098245.db2.gz HIZBUBKZHVGQOP-UHFFFAOYSA-N 0 0 345.342 4.003 50 0 EIAARN Cc1cc2oc(C(=O)Nc3ccccc3Cl)cc(=O)c2cc1C ZINC000006811374 564098617 /nfs/dbraw/zinc/09/86/17/564098617.db2.gz CJDMNCHGJUXRRZ-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)N1C[C@H](C)Oc2ccc(C)cc21 ZINC000006842723 564099431 /nfs/dbraw/zinc/09/94/31/564099431.db2.gz YJWZDEZRJZLHLI-LBPRGKRZSA-N 0 0 346.814 4.476 50 0 EIAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000006845909 564099549 /nfs/dbraw/zinc/09/95/49/564099549.db2.gz UPTTVQPZWYKRMO-FQEVSTJZSA-N 0 0 334.394 4.181 50 0 EIAARN CC[C@@H]1CN(C(=O)Nc2cc(C)ccc2OC)c2ccccc2O1 ZINC000006845352 564099554 /nfs/dbraw/zinc/09/95/54/564099554.db2.gz QRGUOJAHRZEMMB-CQSZACIVSA-N 0 0 326.396 4.213 50 0 EIAARN Cc1ccc(-c2nc([C@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1C ZINC000169762209 564100463 /nfs/dbraw/zinc/10/04/63/564100463.db2.gz VQECUHOVCOGSCK-INIZCTEOSA-N 0 0 339.439 4.002 50 0 EIAARN Cc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)cc1 ZINC000065084835 564100800 /nfs/dbraw/zinc/10/08/00/564100800.db2.gz 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/nfs/dbraw/zinc/10/15/10/564101510.db2.gz ZXYQEBKZPCJLRB-UHFFFAOYSA-N 0 0 332.363 4.014 50 0 EIAARN CC(C)n1c(=O)oc2cc(-c3noc(-c4ccccc4F)n3)ccc21 ZINC000065138355 564101567 /nfs/dbraw/zinc/10/15/67/564101567.db2.gz ZYBWABPFNANKDI-UHFFFAOYSA-N 0 0 339.326 4.032 50 0 EIAARN CCCn1cc2c3c1cccc3CN(C(=O)c1ccccc1OC)CC2 ZINC000065148634 564101617 /nfs/dbraw/zinc/10/16/17/564101617.db2.gz DWABQIVGBAAACY-UHFFFAOYSA-N 0 0 348.446 4.258 50 0 EIAARN Cc1ccc(C)c(NC(=O)N2CCc3cn(C)c4cccc(c34)C2)c1 ZINC000065148841 564101644 /nfs/dbraw/zinc/10/16/44/564101644.db2.gz DFGODVNIKYRFGQ-UHFFFAOYSA-N 0 0 333.435 4.385 50 0 EIAARN Cn1cc2c3c1cccc3CN(C(=O)Nc1cc(F)ccc1F)CC2 ZINC000065148859 564101669 /nfs/dbraw/zinc/10/16/69/564101669.db2.gz KMWXFENZYQHCSE-UHFFFAOYSA-N 0 0 341.361 4.047 50 0 EIAARN Cc1nc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc2o1 ZINC000065149613 564101753 /nfs/dbraw/zinc/10/17/53/564101753.db2.gz JSPAHOFSIZFPJN-UHFFFAOYSA-N 0 0 325.755 4.430 50 0 EIAARN CC1=C(C(=O)Nc2ccc(F)cc2C)C2(CCCCCC2)OC1=O ZINC000006933617 564101761 /nfs/dbraw/zinc/10/17/61/564101761.db2.gz HAACLKXCTYEWDF-UHFFFAOYSA-N 0 0 331.387 4.039 50 0 biogenic EIAARN COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc(F)cc1F ZINC000006938780 564101894 /nfs/dbraw/zinc/10/18/94/564101894.db2.gz XHYLIFOUEODHNF-UHFFFAOYSA-N 0 0 340.713 4.049 50 0 EIAARN CCn1cc(-c2ccc(C)cc2)cc1C(=O)N[C@H](C)c1cccnc1 ZINC000065170586 564102198 /nfs/dbraw/zinc/10/21/98/564102198.db2.gz TXGSTQRSCNVOPP-MRXNPFEDSA-N 0 0 333.435 4.369 50 0 EIAARN CC(C)(C)CC(=O)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000065173089 564102311 /nfs/dbraw/zinc/10/23/11/564102311.db2.gz VOFZYUKOIVBFBY-UHFFFAOYSA-N 0 0 343.446 4.154 50 0 EIAARN CCCn1cc(C(=O)Nc2ccc(SC)cc2)c2cccnc21 ZINC000065216803 564102889 /nfs/dbraw/zinc/10/28/89/564102889.db2.gz CBZBWASJGUASON-UHFFFAOYSA-N 0 0 325.437 4.421 50 0 EIAARN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1F ZINC000007007631 564103134 /nfs/dbraw/zinc/10/31/34/564103134.db2.gz DLOSYSWCBHGRKL-UHFFFAOYSA-N 0 0 332.133 4.289 50 0 EIAARN CN(Cc1ccco1)C(=O)c1nc2ccccn2c1-c1ccc(F)cc1 ZINC000065232143 564103221 /nfs/dbraw/zinc/10/32/21/564103221.db2.gz NPAMBXSIAQCZLW-UHFFFAOYSA-N 0 0 349.365 4.006 50 0 EIAARN CCc1noc(-c2cnc3nc(C)ccc3c2Nc2cccc(F)c2)n1 ZINC000065250615 564103454 /nfs/dbraw/zinc/10/34/54/564103454.db2.gz HJVCQEYWMHVYFE-UHFFFAOYSA-N 0 0 349.369 4.433 50 0 EIAARN CCc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000007050677 564103713 /nfs/dbraw/zinc/10/37/13/564103713.db2.gz GJUCCXVDYNRFJX-UHFFFAOYSA-N 0 0 329.343 4.069 50 0 EIAARN CCN(CC)c1cc(CCC(=O)Nc2cccc(C)c2C)ccn1 ZINC000065269979 564103806 /nfs/dbraw/zinc/10/38/06/564103806.db2.gz JCDMVZUCYLRIQX-UHFFFAOYSA-N 0 0 325.456 4.116 50 0 EIAARN COc1cc(C)c(N[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1OC ZINC000007057704 564103967 /nfs/dbraw/zinc/10/39/67/564103967.db2.gz JMGQHFCFYIYXJH-ZDUSSCGKSA-N 0 0 338.407 4.177 50 0 EIAARN O=C(NCc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000007061260 564104080 /nfs/dbraw/zinc/10/40/80/564104080.db2.gz CFRGVNKWGUYPFT-UHFFFAOYSA-N 0 0 328.371 4.425 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/nfs/dbraw/zinc/10/66/63/564106663.db2.gz IJJFDLAIHWZLFF-MRVPVSSYSA-N 0 0 336.265 4.094 50 0 EIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000065519151 564106805 /nfs/dbraw/zinc/10/68/05/564106805.db2.gz VSAPVOQTZVWPBE-LBPRGKRZSA-N 0 0 340.370 4.182 50 0 EIAARN O=c1[nH]c(C(Cl)=Cc2ccc(O)cc2)nc2ccc(Cl)cc12 ZINC000007325303 564106854 /nfs/dbraw/zinc/10/68/54/564106854.db2.gz YHGBAAPPSNTRSX-QPEQYQDCSA-N 0 0 333.174 4.019 50 0 EIAARN O=C(/C=C/c1nc2ccccc2o1)N1CCCC[C@H]1Cc1ccccc1 ZINC000065529349 564106937 /nfs/dbraw/zinc/10/69/37/564106937.db2.gz IUDBSYJHUBPWAA-JKGDOXCYSA-N 0 0 346.430 4.465 50 0 EIAARN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000065563686 564107048 /nfs/dbraw/zinc/10/70/48/564107048.db2.gz NIXZZUXLBSICJW-UXHICEINSA-N 0 0 346.430 4.316 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000065535899 564107225 /nfs/dbraw/zinc/10/72/25/564107225.db2.gz CWDTVQHOFJQRRN-INIZCTEOSA-N 0 0 332.444 4.277 50 0 EIAARN Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1F 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O=S(=O)(Nc1cc(Cl)ccc1F)c1ccc2ccccc2c1 ZINC000007403662 564107934 /nfs/dbraw/zinc/10/79/34/564107934.db2.gz GAVCNPJEGCXGBQ-UHFFFAOYSA-N 0 0 335.787 4.433 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C[C@H](C)C1CC1 ZINC000065592107 564108001 /nfs/dbraw/zinc/10/80/01/564108001.db2.gz LZOVLYBHHPAYSE-KBXCAEBGSA-N 0 0 325.456 4.156 50 0 EIAARN COc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2s1 ZINC000065593194 564108037 /nfs/dbraw/zinc/10/80/37/564108037.db2.gz VYOBOOWCSCHZDG-KGLIPLIRSA-N 0 0 338.432 4.071 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CCCCC1 ZINC000007408893 564108095 /nfs/dbraw/zinc/10/80/95/564108095.db2.gz QBRLLGASJDWLRX-UHFFFAOYSA-N 0 0 330.409 4.058 50 0 EIAARN COc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1C(C)=O ZINC000007427420 564108373 /nfs/dbraw/zinc/10/83/73/564108373.db2.gz DBOIMUZSZULAHU-UHFFFAOYSA-N 0 0 332.783 4.333 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(C)cc1 ZINC000007466566 564108699 /nfs/dbraw/zinc/10/86/99/564108699.db2.gz RTCUOPZDJSGIFA-UHFFFAOYSA-N 0 0 328.462 4.418 50 0 EIAARN Clc1cc(CNc2ncnc3sccc32)cc2c1OCCCO2 ZINC000007469916 564108730 /nfs/dbraw/zinc/10/87/30/564108730.db2.gz NZSDALWYXFYXEI-UHFFFAOYSA-N 0 0 347.827 4.118 50 0 EIAARN C[C@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc21 ZINC000007471727 564108731 /nfs/dbraw/zinc/10/87/31/564108731.db2.gz PMXVFLRYSBBEGR-LBPRGKRZSA-N 0 0 348.431 4.317 50 0 EIAARN O=C(Nc1ncc(Cc2ccccc2)s1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000170593189 564108946 /nfs/dbraw/zinc/10/89/46/564108946.db2.gz ZKGYLYBJHATEHU-ZWKOTPCHSA-N 0 0 349.459 4.412 50 0 EIAARN CCCn1ccc2cc(NC(=O)[C@@H](OC)c3ccc(O)cc3)ccc21 ZINC000170596519 564109104 /nfs/dbraw/zinc/10/91/04/564109104.db2.gz FEZGKPKKIPJRBH-IBGZPJMESA-N 0 0 338.407 4.083 50 0 EIAARN c1coc(Cn2c(S[C@H]3C[C@@H]3c3ccccc3)nnc2C2CC2)c1 ZINC000170598594 564109209 /nfs/dbraw/zinc/10/92/09/564109209.db2.gz NOGGOYIMPGMKMK-SJORKVTESA-N 0 0 337.448 4.445 50 0 EIAARN c1coc(Cn2c(S[C@@H]3C[C@@H]3c3ccccc3)nnc2C2CC2)c1 ZINC000170598596 564109211 /nfs/dbraw/zinc/10/92/11/564109211.db2.gz NOGGOYIMPGMKMK-IAGOWNOFSA-N 0 0 337.448 4.445 50 0 EIAARN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000170612750 564109881 /nfs/dbraw/zinc/10/98/81/564109881.db2.gz GDEYOOGMSBDULQ-NRFANRHFSA-N 0 0 347.414 4.264 50 0 EIAARN Clc1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)c(Cl)n1 ZINC000170616877 564110060 /nfs/dbraw/zinc/11/00/60/564110060.db2.gz ZAMRVEATOKUMRL-GOSISDBHSA-N 0 0 349.261 4.062 50 0 EIAARN Cc1c2ccccc2n(C)c1CNc1nnc(CC(F)(F)F)s1 ZINC000170618588 564110116 /nfs/dbraw/zinc/11/01/16/564110116.db2.gz DMRLUYOLSOMQEO-UHFFFAOYSA-N 0 0 340.374 4.055 50 0 EIAARN CSc1nc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c2ccccn21 ZINC000170626797 564110516 /nfs/dbraw/zinc/11/05/16/564110516.db2.gz TWEXETHHFCWMFC-LJQANCHMSA-N 0 0 341.480 4.019 50 0 EIAARN CC(C)[C@@H]1CCCN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1 ZINC000170627039 564110569 /nfs/dbraw/zinc/11/05/69/564110569.db2.gz KPLCZTHZCYHJSP-CQSZACIVSA-N 0 0 328.412 4.083 50 0 EIAARN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170631275 564110687 /nfs/dbraw/zinc/11/06/87/564110687.db2.gz SWZSWEKECFPGLF-OPYAIIAOSA-N 0 0 348.531 4.360 50 0 EIAARN O=C1S/C(=C\c2cccnc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000013220749 564110718 /nfs/dbraw/zinc/11/07/18/564110718.db2.gz CEHAYMLUGARGFJ-AUWJEWJLSA-N 0 0 348.786 4.111 50 0 EIAARN O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1nccs1 ZINC000042484497 564111016 /nfs/dbraw/zinc/11/10/16/564111016.db2.gz AJZGXFLKSNKKGC-UHFFFAOYSA-N 0 0 348.431 4.053 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000071795634 564111188 /nfs/dbraw/zinc/11/11/88/564111188.db2.gz GQCDVTWUJMICHB-UHFFFAOYSA-N 0 0 345.296 4.113 50 0 EIAARN Cc1nnc([C@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 ZINC000071819458 564111199 /nfs/dbraw/zinc/11/11/99/564111199.db2.gz ZGPFAHHILOUCAE-JTQLQIEISA-N 0 0 346.818 4.113 50 0 EIAARN O=C(CCc1ccc2ccccc2c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000071817139 564111224 /nfs/dbraw/zinc/11/12/24/564111224.db2.gz AMFDIJVKTTYNFK-JOCHJYFZSA-N 0 0 345.442 4.373 50 0 EIAARN CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013330131 564111583 /nfs/dbraw/zinc/11/15/83/564111583.db2.gz KCMRDYNQAJGGTH-OAHLLOKOSA-N 0 0 344.263 4.423 50 0 EIAARN CC(C)C[C@H](NC(=O)c1ccc[nH]c1=S)c1nc2ccccc2[nH]1 ZINC000014084735 564112178 /nfs/dbraw/zinc/11/21/78/564112178.db2.gz JNTNHQYJEMVADH-HNNXBMFYSA-N 0 0 340.452 4.138 50 0 EIAARN CCNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000014216888 564112316 /nfs/dbraw/zinc/11/23/16/564112316.db2.gz IIHSJYXOMFIPQS-BUHFOSPRSA-N 0 0 332.403 4.454 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)nc1 ZINC000014304110 564112411 /nfs/dbraw/zinc/11/24/11/564112411.db2.gz OYAXHTCESCTPTE-UHFFFAOYSA-N 0 0 334.375 4.200 50 0 EIAARN COc1ccc(C)cc1NCCC(=O)N1CCC[C@@H]2C[C@@H](C)CC[C@H]21 ZINC000089618852 564112705 /nfs/dbraw/zinc/11/27/05/564112705.db2.gz NDVUPQVGBBBQNP-KVSKMBFKSA-N 0 0 344.499 4.233 50 0 EIAARN Cc1ccc(-c2nc(CNc3cccc(-c4nncn4C)c3)co2)cc1 ZINC000089641203 564112835 /nfs/dbraw/zinc/11/28/35/564112835.db2.gz QALVFTMJEVECGZ-UHFFFAOYSA-N 0 0 345.406 4.058 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2c(F)cccc2NC(C)C)cc1C ZINC000089643286 564112877 /nfs/dbraw/zinc/11/28/77/564112877.db2.gz ZWMPXGGSLSQMCH-UHFFFAOYSA-N 0 0 336.432 4.064 50 0 EIAARN Cc1ccc(-c2nc(CN3CC[C@H](Nc4ccccc4)C3)cs2)o1 ZINC000089656215 564112938 /nfs/dbraw/zinc/11/29/38/564112938.db2.gz DYEXMUPXEVXTDR-INIZCTEOSA-N 0 0 339.464 4.398 50 0 EIAARN Cc1nc2ccccc2n1CCSc1nncn1-c1ccccc1C ZINC000089700351 564113252 /nfs/dbraw/zinc/11/32/52/564113252.db2.gz UEKNXWCJTSYJLK-UHFFFAOYSA-N 0 0 349.463 4.026 50 0 EIAARN O=C(NCc1csc2ccccc12)C1=NO[C@H](c2ccccc2)C1 ZINC000089827851 564114084 /nfs/dbraw/zinc/11/40/84/564114084.db2.gz GCAYPTFLBHYNLI-KRWDZBQOSA-N 0 0 336.416 4.035 50 0 EIAARN Cc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)c(C)n1C1CC1 ZINC000007575620 564114200 /nfs/dbraw/zinc/11/42/00/564114200.db2.gz OBLSIYJIEVBILO-UHFFFAOYSA-N 0 0 336.391 4.452 50 0 EIAARN O=C(CN1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccccc1F ZINC000089866579 564114421 /nfs/dbraw/zinc/11/44/21/564114421.db2.gz IWRCAHMJNZPVPT-UHFFFAOYSA-N 0 0 349.409 4.035 50 0 EIAARN CCCCc1noc([C@H](C)SCc2cc3ccccc3[nH]c2=O)n1 ZINC000076018031 564114480 /nfs/dbraw/zinc/11/44/80/564114480.db2.gz ISJWQJZGMWPMFC-LBPRGKRZSA-N 0 0 343.452 4.248 50 0 EIAARN CC(=O)c1cccc(OCCCC(=O)N(Cc2ccco2)C(C)C)c1 ZINC000089869646 564114632 /nfs/dbraw/zinc/11/46/32/564114632.db2.gz JVLCXSCVKVLLHF-UHFFFAOYSA-N 0 0 343.423 4.078 50 0 EIAARN CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H](C)OCC(F)(F)F ZINC000089887945 564114702 /nfs/dbraw/zinc/11/47/02/564114702.db2.gz QXNCBORBVVAPAS-SECBINFHSA-N 0 0 339.741 4.033 50 0 EIAARN C[C@H](O)C[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1 ZINC000089894870 564114917 /nfs/dbraw/zinc/11/49/17/564114917.db2.gz WIZQZZDDCSAAPU-LPHOPBHVSA-N 0 0 349.430 4.231 50 0 EIAARN C[C@H](NC(=O)Nc1cccc(-c2ncco2)c1)[C@H]1COc2ccccc21 ZINC000089894422 564114963 /nfs/dbraw/zinc/11/49/63/564114963.db2.gz OIISKFOLMPAOMA-SUMWQHHRSA-N 0 0 349.390 4.028 50 0 EIAARN C[C@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C1CCOCC1 ZINC000089894402 564114965 /nfs/dbraw/zinc/11/49/65/564114965.db2.gz FSUFLMAMLOIWLS-ZDUSSCGKSA-N 0 0 341.407 4.191 50 0 EIAARN CCC[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccc(F)cc1F ZINC000089949724 564115828 /nfs/dbraw/zinc/11/58/28/564115828.db2.gz FOXWNXKLQCXVDO-QGZVFWFLSA-N 0 0 333.382 4.043 50 0 EIAARN CCC[C@]1(C(F)(F)F)CCCN1C(=O)[C@H](C)Oc1ccccc1 ZINC000089949916 564115840 /nfs/dbraw/zinc/11/58/40/564115840.db2.gz MIRZNFXNRJKJHQ-XJKSGUPXSA-N 0 0 329.362 4.178 50 0 EIAARN CCCn1nc(C)c(CNc2ccc(NC(=O)OCC)cc2)c1C ZINC000089960642 564115901 /nfs/dbraw/zinc/11/59/01/564115901.db2.gz DVSNYPKGWJVGTB-UHFFFAOYSA-N 0 0 330.432 4.090 50 0 EIAARN O=C(CSc1ccncc1)Nc1scnc1-c1ccc(F)cc1 ZINC000076174155 564116147 /nfs/dbraw/zinc/11/61/47/564116147.db2.gz LEGNZUILWVNNRI-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1sccc1SC ZINC000271421229 564116242 /nfs/dbraw/zinc/11/62/42/564116242.db2.gz FJBARZIPNQGGJY-HZMBPMFUSA-N 0 0 339.457 4.115 50 0 EIAARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)c1ccccc1 ZINC000017135515 564116508 /nfs/dbraw/zinc/11/65/08/564116508.db2.gz ZMBVBWGRZKIJGP-UHFFFAOYSA-N 0 0 336.460 4.399 50 0 EIAARN COc1ccc([C@H](C)NC(=O)c2csc3c2CCCC3)cc1OC ZINC000001055295 564116797 /nfs/dbraw/zinc/11/67/97/564116797.db2.gz UFNICLWVGFQCIM-LBPRGKRZSA-N 0 0 345.464 4.135 50 0 EIAARN Cc1cnc(C(=O)Nc2ccccc2SCc2ccccc2)cn1 ZINC000018703573 564116878 /nfs/dbraw/zinc/11/68/78/564116878.db2.gz JVTOLSPOICGLSS-UHFFFAOYSA-N 0 0 335.432 4.330 50 0 EIAARN O=C(NCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1 ZINC000001791528 564116884 /nfs/dbraw/zinc/11/68/84/564116884.db2.gz RFBFAGGTIVNCEH-UHFFFAOYSA-N 0 0 347.414 4.074 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000170638176 564117489 /nfs/dbraw/zinc/11/74/89/564117489.db2.gz KXLYYJSGANPOQI-YWWDTZIBSA-N 0 0 336.520 4.094 50 0 EIAARN COc1ccc(CN(CC[C@H](c2ccco2)C(C)C)C(C)=O)cc1 ZINC000002093621 564117556 /nfs/dbraw/zinc/11/75/56/564117556.db2.gz MQTLLSQUGQJODV-IBGZPJMESA-N 0 0 329.440 4.467 50 0 biogenic EIAARN CN(Cc1csc(COc2ccc(F)cc2)n1)c1cccc(O)c1 ZINC000170639743 564117627 /nfs/dbraw/zinc/11/76/27/564117627.db2.gz PGSBUNTXOPNXRT-UHFFFAOYSA-N 0 0 344.411 4.203 50 0 EIAARN Cc1cc(F)ccc1[C@@H]1CC(=O)CCN1C(=O)OCc1ccccc1 ZINC000139442158 564117976 /nfs/dbraw/zinc/11/79/76/564117976.db2.gz YDYUSCAHHHPNHK-IBGZPJMESA-N 0 0 341.382 4.177 50 0 EIAARN Cc1ccc(C2=NNC(=O)[C@@H](Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000025758999 564118012 /nfs/dbraw/zinc/11/80/12/564118012.db2.gz YTBBMHZRUAEPGX-HNNXBMFYSA-N 0 0 326.827 4.040 50 0 EIAARN Cc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1 ZINC000002124714 564118503 /nfs/dbraw/zinc/11/85/03/564118503.db2.gz DLIWIFULGWKWPV-UHFFFAOYSA-N 0 0 347.414 4.255 50 0 biogenic EIAARN CC(C)C(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl ZINC000000285124 564118854 /nfs/dbraw/zinc/11/88/54/564118854.db2.gz WTYDTIXXMYGORN-NSHDSACASA-N 0 0 326.676 4.247 50 0 EIAARN O=C(c1ccccc1)c1c(O)c2ccccc2nc1-c1ccccc1 ZINC000000715535 564118898 /nfs/dbraw/zinc/11/88/98/564118898.db2.gz QFMUIXAYIIZLRC-UHFFFAOYSA-N 0 0 325.367 4.426 50 0 EIAARN C/C=C/C=C/C(=O)Nc1ccc(-c2ccn(C(=O)/C=C/C=C\C)n2)cc1 ZINC000252474924 564118972 /nfs/dbraw/zinc/11/89/72/564118972.db2.gz ORUIGWKZVUKKEX-RIFFHFTFSA-N 0 0 347.418 4.393 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c3ncsc32)c1 ZINC000007598787 564118999 /nfs/dbraw/zinc/11/89/99/564118999.db2.gz VBEVOZMAQUQALN-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN C[C@@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)C[C@H](C)O1 ZINC000252487523 564119376 /nfs/dbraw/zinc/11/93/76/564119376.db2.gz YTHOLTSEQRFHEO-HGKCTWBKSA-N 0 0 345.487 4.462 50 0 EIAARN Cc1nc(-c2ccccc2)sc1CSCc1ncnn1CCF ZINC000252489124 564119422 /nfs/dbraw/zinc/11/94/22/564119422.db2.gz JGAHNYXQMAHHFH-UHFFFAOYSA-N 0 0 348.472 4.113 50 0 EIAARN CC(C)Cc1ccccc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000252488783 564119435 /nfs/dbraw/zinc/11/94/35/564119435.db2.gz IYWOFCFEJCRVBO-UHFFFAOYSA-N 0 0 336.435 4.030 50 0 EIAARN COc1ccc(C(=O)NCC[C@H](c2ccc(OC)cc2)C(C)C)cc1 ZINC000002152148 564119547 /nfs/dbraw/zinc/11/95/47/564119547.db2.gz AAYRVMMRAOCUQU-FQEVSTJZSA-N 0 0 341.451 4.264 50 0 biogenic EIAARN Cc1nnc([C@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000252508901 564120017 /nfs/dbraw/zinc/12/00/17/564120017.db2.gz XXCIGZQKWTYMHK-QWRGUYRKSA-N 0 0 335.448 4.186 50 0 EIAARN Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000002160323 564120194 /nfs/dbraw/zinc/12/01/94/564120194.db2.gz MLMWYIPMBDVIHP-UHFFFAOYSA-N 0 0 347.414 4.337 50 0 biogenic EIAARN CC[C@H](C)n1ncc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1C ZINC000390834062 564120233 /nfs/dbraw/zinc/12/02/33/564120233.db2.gz RCCKKAOZTFNTBG-QMMMGPOBSA-N 0 0 341.242 4.304 50 0 EIAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc2cccnc21 ZINC000002465255 564120669 /nfs/dbraw/zinc/12/06/69/564120669.db2.gz BFHHVGFGNFAUBS-UHFFFAOYSA-N 0 0 340.448 4.230 50 0 EIAARN CCN(CC)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000007668499 564121711 /nfs/dbraw/zinc/12/17/11/564121711.db2.gz KNJAQPQEVWBQSN-UHFFFAOYSA-N 0 0 325.437 4.083 50 0 EIAARN O=C(CSc1ccc2c(c1)CCC2)NC12CC3CC(CC(C3)C1)C2 ZINC000007687726 564121916 /nfs/dbraw/zinc/12/19/16/564121916.db2.gz MUJXRARACZFLAP-UHFFFAOYSA-N 0 0 341.520 4.352 50 0 EIAARN CN(CC(=O)Nc1cccc(Cl)c1)Cc1nc2ccccc2s1 ZINC000007688785 564121974 /nfs/dbraw/zinc/12/19/74/564121974.db2.gz WSCOJDFQMBSUHI-UHFFFAOYSA-N 0 0 345.855 4.020 50 0 EIAARN COc1cccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000007736958 564122488 /nfs/dbraw/zinc/12/24/88/564122488.db2.gz HFPQLVDQLIERRF-UHFFFAOYSA-N 0 0 337.448 4.446 50 0 EIAARN CCn1c(CNc2ncnc3sc(C)c(C)c32)nc2ccccc21 ZINC000007738604 564122524 /nfs/dbraw/zinc/12/25/24/564122524.db2.gz GURKDLITKJYIFL-UHFFFAOYSA-N 0 0 337.452 4.290 50 0 EIAARN Cc1oncc1-c1csc(-c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000194940604 564122608 /nfs/dbraw/zinc/12/26/08/564122608.db2.gz STEYWKYYRIBCJC-UHFFFAOYSA-N 0 0 325.393 4.122 50 0 EIAARN c1[nH]c2ccccc2c1-c1nnc(SC[C@H]2CCCO2)n1C1CC1 ZINC000007791049 564123423 /nfs/dbraw/zinc/12/34/23/564123423.db2.gz OMKWIUQPDMTDAF-CYBMUJFWSA-N 0 0 340.452 4.032 50 0 EIAARN CC(=O)Nc1ccc(OC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000007797590 564123439 /nfs/dbraw/zinc/12/34/39/564123439.db2.gz BUXVMLXSXYFUQK-UHFFFAOYSA-N 0 0 341.407 4.061 50 0 EIAARN Cc1cc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)no1 ZINC000007796051 564123449 /nfs/dbraw/zinc/12/34/49/564123449.db2.gz GJAUAVHITJQPTH-UHFFFAOYSA-N 0 0 327.409 4.284 50 0 EIAARN C[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000195564828 564123872 /nfs/dbraw/zinc/12/38/72/564123872.db2.gz GDMSEECWCKZBHA-FHLIZLRMSA-N 0 0 344.480 4.071 50 0 EIAARN Cc1nc2sc3c(c2c(-c2cccs2)c1C(N)=O)CCCC3 ZINC000007813635 564123968 /nfs/dbraw/zinc/12/39/68/564123968.db2.gz OPYJVPHYQCMDIM-UHFFFAOYSA-N 0 0 328.462 4.311 50 0 EIAARN CCOc1ccc(NC(=O)CCCOc2ccccc2)cc1OCC ZINC000007814250 564124004 /nfs/dbraw/zinc/12/40/04/564124004.db2.gz QDQBWXLSDROCCN-UHFFFAOYSA-N 0 0 343.423 4.282 50 0 EIAARN COc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 ZINC000007820562 564124032 /nfs/dbraw/zinc/12/40/32/564124032.db2.gz JSOSUMHDEOQNNQ-UHFFFAOYSA-N 0 0 344.461 4.119 50 0 EIAARN Cc1ccc(-c2nc(SCCCOc3ccccc3)n[nH]2)cc1 ZINC000007831892 564124141 /nfs/dbraw/zinc/12/41/41/564124141.db2.gz UHKAIIHVTDTGQO-UHFFFAOYSA-N 0 0 325.437 4.341 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccc2c(c1)OCO2 ZINC000007885001 564124384 /nfs/dbraw/zinc/12/43/84/564124384.db2.gz VWQYSHKFBUKEGV-HXUWFJFHSA-N 0 0 344.370 4.186 50 0 EIAARN O=c1c(Cl)c(NC2CCCCCC2)cnn1Cc1ccccc1 ZINC000015208918 564124993 /nfs/dbraw/zinc/12/49/93/564124993.db2.gz KPPTWYAKKZQBEP-UHFFFAOYSA-N 0 0 331.847 4.080 50 0 EIAARN O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1cccc(F)c1 ZINC000007925169 564125491 /nfs/dbraw/zinc/12/54/91/564125491.db2.gz SYWCZRVKDAOUHG-UHFFFAOYSA-N 0 0 326.198 4.034 50 0 EIAARN O=C(NCCc1cccc(F)c1)C1c2ccccc2Oc2ccccc21 ZINC000007925166 564125493 /nfs/dbraw/zinc/12/54/93/564125493.db2.gz XTLULBRHTJTAKS-UHFFFAOYSA-N 0 0 347.389 4.422 50 0 EIAARN Cc1ccc(/[S@@](C)=N/S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000019910960 564129090 /nfs/dbraw/zinc/12/90/90/564129090.db2.gz KZNMIKSUIQFFKR-QFIPXVFZSA-N 0 0 343.473 4.328 50 0 EIAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000000120503 564130157 /nfs/dbraw/zinc/13/01/57/564130157.db2.gz DKLNDTXBHFYXRA-UHFFFAOYSA-N 0 0 334.746 4.333 50 0 EIAARN CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000011996575 564130347 /nfs/dbraw/zinc/13/03/47/564130347.db2.gz NCMZQTLCXHGLOK-XUJUZBCESA-N 0 0 330.468 4.450 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)CCCc3nccs3)c2)oc1C ZINC000253406281 564130644 /nfs/dbraw/zinc/13/06/44/564130644.db2.gz XUUVLGFOYAONCN-UHFFFAOYSA-N 0 0 341.436 4.376 50 0 EIAARN O=C(Nc1ccc(F)c(C2CC2)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000253429673 564131256 /nfs/dbraw/zinc/13/12/56/564131256.db2.gz UKDXTWFBPVFXEN-INIZCTEOSA-N 0 0 328.391 4.185 50 0 EIAARN Cc1csc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1Cl ZINC000253430017 564131360 /nfs/dbraw/zinc/13/13/60/564131360.db2.gz JKZJKESSERRPTK-NWDGAFQWSA-N 0 0 339.844 4.031 50 0 EIAARN Cc1nc2sc3c(c2c2nc(-c4cccnc4)nn21)[C@@H](C)CCC3 ZINC000002328177 564132351 /nfs/dbraw/zinc/13/23/51/564132351.db2.gz VCGPFEVZMUYTGI-JTQLQIEISA-N 0 0 335.436 4.149 50 0 EIAARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)c2ccc(NC(=O)CC)cc2)C1 ZINC000012403882 564132878 /nfs/dbraw/zinc/13/28/78/564132878.db2.gz XMVDLLYYIXBGPR-INIZCTEOSA-N 0 0 339.439 4.053 50 0 EIAARN COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)c2ccc3ccccc3n2)cc1 ZINC000585105605 564134003 /nfs/dbraw/zinc/13/40/03/564134003.db2.gz XCDUOENCYRWCIG-HKUYNNGSSA-N 0 0 346.430 4.400 50 0 EIAARN Cc1n[nH]c(C)c1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000027756522 564134388 /nfs/dbraw/zinc/13/43/88/564134388.db2.gz PPBVRJCKISQKRL-UHFFFAOYSA-N 0 0 330.240 4.064 50 0 EIAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000002399296 564134524 /nfs/dbraw/zinc/13/45/24/564134524.db2.gz LSTZACRXYJCYDJ-CYFREDJKSA-N 0 0 347.395 4.164 50 0 EIAARN CN(Cc1nc(-c2ccncc2Cl)cs1)C(=O)c1ccccc1 ZINC000225456436 564134942 /nfs/dbraw/zinc/13/49/42/564134942.db2.gz NMOVNQGXQLKRQQ-UHFFFAOYSA-N 0 0 343.839 4.131 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000007947176 564135491 /nfs/dbraw/zinc/13/54/91/564135491.db2.gz GJVMHRXSHUQAPE-UHFFFAOYSA-N 0 0 347.827 4.331 50 0 EIAARN Cc1ccc(-c2noc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1 ZINC000012937510 564135701 /nfs/dbraw/zinc/13/57/01/564135701.db2.gz YZUUFZZLABHDJM-UHFFFAOYSA-N 0 0 348.358 4.039 50 0 EIAARN CCc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)sc1C ZINC000007955274 564136395 /nfs/dbraw/zinc/13/63/95/564136395.db2.gz VNCQHACJNUAFEG-UHFFFAOYSA-N 0 0 348.899 4.235 50 0 EIAARN c1[nH]c([C@@H]2CCCCN2Cc2nc(C3CC3)no2)nc1-c1ccccc1 ZINC000276439022 564137247 /nfs/dbraw/zinc/13/72/47/564137247.db2.gz KXIIREHRNPDANF-KRWDZBQOSA-N 0 0 349.438 4.064 50 0 EIAARN O=C(Nc1cccc(Cl)c1Br)N1CCCSCC1 ZINC000276745104 564137494 /nfs/dbraw/zinc/13/74/94/564137494.db2.gz LKKSNURMCKQFGJ-UHFFFAOYSA-N 0 0 349.681 4.073 50 0 EIAARN CC(C)COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cn1 ZINC000079049884 564137756 /nfs/dbraw/zinc/13/77/56/564137756.db2.gz KJGTXWIWHNUKGJ-APWZRJJASA-N 0 0 338.451 4.135 50 0 EIAARN CCCc1c(NC(=O)[C@@H](C)c2cccnc2)cnn1-c1ccccc1C ZINC000277057560 564137827 /nfs/dbraw/zinc/13/78/27/564137827.db2.gz JBLIBBKRSMMNPI-INIZCTEOSA-N 0 0 348.450 4.270 50 0 EIAARN COc1ccc(C(=O)NCCc2ccc(-c3ccoc3)s2)cc1F ZINC000390830707 564138654 /nfs/dbraw/zinc/13/86/54/564138654.db2.gz MTIQUKLGHPAQES-UHFFFAOYSA-N 0 0 345.395 4.128 50 0 EIAARN COc1ccc(C(=O)NCc2ccc(-c3ccoc3)cc2)cc1F ZINC000390830997 564138673 /nfs/dbraw/zinc/13/86/73/564138673.db2.gz OXUPWPBJAVFQDM-UHFFFAOYSA-N 0 0 325.339 4.024 50 0 EIAARN COc1ccccc1CC(=O)N1CCCC[C@@H]1CSC(C)(C)C ZINC000390832318 564138712 /nfs/dbraw/zinc/13/87/12/564138712.db2.gz YPDKLZFQQMOWGU-MRXNPFEDSA-N 0 0 335.513 4.151 50 0 EIAARN CCc1oc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000390834227 564138892 /nfs/dbraw/zinc/13/88/92/564138892.db2.gz UVSSWXTWLVXQIX-SJLPKXTDSA-N 0 0 345.414 4.282 50 0 EIAARN FC(F)(F)[C@H](NCc1nc(C2CC2)no1)c1cccc2ccccc21 ZINC000390834323 564138955 /nfs/dbraw/zinc/13/89/55/564138955.db2.gz WFRBFWXGLVTYJW-MRXNPFEDSA-N 0 0 347.340 4.493 50 0 EIAARN Cc1nc2scc(CC(C)C)c2c(N2CCC[C@H]2c2ncc[nH]2)n1 ZINC000095467581 564141095 /nfs/dbraw/zinc/14/10/95/564141095.db2.gz HZQCZZOHXQRYDB-AWEZNQCLSA-N 0 0 341.484 4.263 50 0 EIAARN CCN(C(=O)CN1CCCSc2ccccc21)c1ccccc1C ZINC000095469848 564141253 /nfs/dbraw/zinc/14/12/53/564141253.db2.gz FNHDTMKJEUXTJW-UHFFFAOYSA-N 0 0 340.492 4.350 50 0 EIAARN O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1ccccc1)SCC(=O)N2 ZINC000095474944 564141397 /nfs/dbraw/zinc/14/13/97/564141397.db2.gz ZYBZKNZUAALQMK-INIZCTEOSA-N 0 0 343.452 4.106 50 0 EIAARN Cc1nc(C(=O)Nc2nc(C)c(C)s2)c(Cc2ccccc2)s1 ZINC000095476108 564141444 /nfs/dbraw/zinc/14/14/44/564141444.db2.gz RXCANKOLKSSDRU-UHFFFAOYSA-N 0 0 343.477 4.368 50 0 EIAARN CCc1onc(C)c1NC(=O)Nc1ccccc1OC(F)(F)F ZINC000095942591 564142091 /nfs/dbraw/zinc/14/20/91/564142091.db2.gz LCCXLVHAYASUKZ-UHFFFAOYSA-N 0 0 329.278 4.088 50 0 EIAARN O=C(Cn1ccc2ccccc21)O[C@H](c1ccccc1)c1ccccn1 ZINC000095954197 564142461 /nfs/dbraw/zinc/14/24/61/564142461.db2.gz RLOQVTQLSUTRLC-JOCHJYFZSA-N 0 0 342.398 4.369 50 0 EIAARN c1cn2cc(CN[C@H]3CC4(CCCC4)Oc4ccccc43)nc2s1 ZINC000095967477 564143060 /nfs/dbraw/zinc/14/30/60/564143060.db2.gz VFFHQRWNHCRVHV-INIZCTEOSA-N 0 0 339.464 4.322 50 0 EIAARN CCc1cnc([C@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000095968988 564143291 /nfs/dbraw/zinc/14/32/91/564143291.db2.gz JFAQBXBPEXRCND-STQMWFEESA-N 0 0 345.468 4.074 50 0 EIAARN COCc1ccccc1NCc1ccc(OCc2cscn2)cc1 ZINC000095971913 564143440 /nfs/dbraw/zinc/14/34/40/564143440.db2.gz WFESJOUTCKLYGF-UHFFFAOYSA-N 0 0 340.448 4.481 50 0 EIAARN CC(=O)N1CCC(Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)CC1 ZINC000095971930 564143441 /nfs/dbraw/zinc/14/34/41/564143441.db2.gz OXQVHKGGPYWGFS-IERDGZPVSA-N 0 0 344.499 4.205 50 0 EIAARN C[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2[nH]cnc21 ZINC000095972313 564143449 /nfs/dbraw/zinc/14/34/49/564143449.db2.gz TVLONMYUQGWBRQ-ZDUSSCGKSA-N 0 0 325.437 4.071 50 0 EIAARN Cc1nnc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 ZINC000095987512 564144000 /nfs/dbraw/zinc/14/40/00/564144000.db2.gz JIFPGVBIHVZCGS-CQSZACIVSA-N 0 0 327.375 4.106 50 0 EIAARN Cc1nc([C@H]2CCCCCN2C(=O)Nc2cc(C)ccc2C)no1 ZINC000095998785 564144339 /nfs/dbraw/zinc/14/43/39/564144339.db2.gz GUXBXKYUEHYKBV-MRXNPFEDSA-N 0 0 328.416 4.144 50 0 EIAARN CCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1noc(C)n1 ZINC000095999178 564144366 /nfs/dbraw/zinc/14/43/66/564144366.db2.gz JXBMHFZUUKJXBH-MRXNPFEDSA-N 0 0 328.416 4.090 50 0 EIAARN Cc1nnc([C@H]2CCCN2C(=O)N(c2ccccc2)c2ccccc2)o1 ZINC000096007792 564144582 /nfs/dbraw/zinc/14/45/82/564144582.db2.gz CJXLFABIYNWKOE-GOSISDBHSA-N 0 0 348.406 4.473 50 0 EIAARN Fc1ccc(-c2cnc(SC3CCC4(CC3)OCCO4)o2)cc1 ZINC000096010400 564144658 /nfs/dbraw/zinc/14/46/58/564144658.db2.gz PAHWASCUGPOVPT-UHFFFAOYSA-N 0 0 335.400 4.259 50 0 EIAARN COc1ccc(-c2nc(C)c([C@@H](C)NCc3ncc(C)o3)s2)cc1 ZINC000096014108 564144824 /nfs/dbraw/zinc/14/48/24/564144824.db2.gz OIQXPVWNNQDJEX-GFCCVEGCSA-N 0 0 343.452 4.274 50 0 EIAARN CC[C@@H](C(=O)Nc1ccccc1Cc1nc(C)no1)c1ccccc1 ZINC000096097050 564145194 /nfs/dbraw/zinc/14/51/94/564145194.db2.gz AFAQTQXKMTVJIJ-QGZVFWFLSA-N 0 0 335.407 4.101 50 0 EIAARN CCCCOc1ccc(C(=O)NC[C@H](OC)c2ccsc2)cc1 ZINC000096097405 564145210 /nfs/dbraw/zinc/14/52/10/564145210.db2.gz YCTYTJIUIGNTPA-KRWDZBQOSA-N 0 0 333.453 4.045 50 0 EIAARN O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1cccc(F)c1 ZINC000096119857 564145528 /nfs/dbraw/zinc/14/55/28/564145528.db2.gz ZARJPWNFDMKCJZ-UHFFFAOYSA-N 0 0 339.391 4.048 50 0 EIAARN COc1ccc2cc(C(=O)N(CCc3cccs3)C3CC3)[nH]c2c1 ZINC000096120300 564145547 /nfs/dbraw/zinc/14/55/47/564145547.db2.gz DTGWJJNMHRIUSZ-UHFFFAOYSA-N 0 0 340.448 4.085 50 0 EIAARN O=C(Nc1ccc(C(=O)OC/C=C\c2ccccc2)cc1)c1ccco1 ZINC000096124646 564145697 /nfs/dbraw/zinc/14/56/97/564145697.db2.gz NVZYETIQCULMRR-YWEYNIOJSA-N 0 0 347.370 4.402 50 0 EIAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(Cl)cc1F ZINC000096125657 564145711 /nfs/dbraw/zinc/14/57/11/564145711.db2.gz XRAHSFKEZYVNNQ-KRWDZBQOSA-N 0 0 333.790 4.295 50 0 EIAARN CC(=C\c1ccccc1)/C=C1\N=C(c2cc(F)cc(F)c2)OC1=O ZINC000096133938 564145782 /nfs/dbraw/zinc/14/57/82/564145782.db2.gz MUQJMCCUXTZAJF-QWWHEIEGSA-N 0 0 325.314 4.256 50 0 EIAARN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccsc2Cl)C1 ZINC000282039650 564145975 /nfs/dbraw/zinc/14/59/75/564145975.db2.gz UJPOHAAPVTYDTL-OXHZDVMGSA-N 0 0 342.892 4.195 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1ccccc1 ZINC000096222761 564146020 /nfs/dbraw/zinc/14/60/20/564146020.db2.gz MQICROXLFLOEKZ-FQEVSTJZSA-N 0 0 348.446 4.303 50 0 biogenic EIAARN C[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276203 564146278 /nfs/dbraw/zinc/14/62/78/564146278.db2.gz BHBLZJOJHIMACW-JTQLQIEISA-N 0 0 345.761 4.020 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)C1CCCC1)c1nc(-c2cccc(C)c2)no1 ZINC000096294238 564146539 /nfs/dbraw/zinc/14/65/39/564146539.db2.gz QZFONKIEVOEPFO-RHSMWYFYSA-N 0 0 341.455 4.439 50 0 EIAARN Cc1nn(C)c(C)c1/C=C\C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000096297606 564146602 /nfs/dbraw/zinc/14/66/02/564146602.db2.gz OSJHUARZPKNKAW-SEYXRHQNSA-N 0 0 347.418 4.481 50 0 EIAARN CO[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000096388086 564146942 /nfs/dbraw/zinc/14/69/42/564146942.db2.gz KFDKHWZNHDCFME-GOSISDBHSA-N 0 0 329.415 4.241 50 0 EIAARN CO[C@@](C)(CNC(=O)c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000096392417 564147000 /nfs/dbraw/zinc/14/70/00/564147000.db2.gz IRTCXUIZFNDKEW-IBGZPJMESA-N 0 0 343.810 4.378 50 0 EIAARN CO[C@](C)(CNC(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000096392418 564147016 /nfs/dbraw/zinc/14/70/16/564147016.db2.gz HBBZORWYWUSSHV-OAHLLOKOSA-N 0 0 344.263 4.347 50 0 EIAARN O=[S@](CCc1ccccc1)Cc1csc(-c2cccs2)n1 ZINC000096404271 564147257 /nfs/dbraw/zinc/14/72/57/564147257.db2.gz TVMMVPJRVTZYTD-NRFANRHFSA-N 0 0 333.503 4.363 50 0 EIAARN CC(=O)c1c(C)cc(C)c(C[S@](=O)Cc2csc(C)n2)c1C ZINC000096404549 564147297 /nfs/dbraw/zinc/14/72/97/564147297.db2.gz WKUJAQYYHSKYGE-QFIPXVFZSA-N 0 0 335.494 4.028 50 0 EIAARN COC(=O)[C@@H](Sc1nnc(-c2sccc2C)o1)c1ccccc1 ZINC000096409790 564147561 /nfs/dbraw/zinc/14/75/61/564147561.db2.gz IDCXKHAFIJNCKR-ZDUSSCGKSA-N 0 0 346.433 4.113 50 0 EIAARN Cc1ccc(Oc2ccc(N[C@H](C)c3nc(C4CC4)no3)cc2)nn1 ZINC000096437177 564148090 /nfs/dbraw/zinc/14/80/90/564148090.db2.gz WRXRMBFVBDVRQQ-GFCCVEGCSA-N 0 0 337.383 4.011 50 0 EIAARN CCSc1ccc(Cl)cc1NC(=O)N(C)C1CCOCC1 ZINC000096445967 564148193 /nfs/dbraw/zinc/14/81/93/564148193.db2.gz UOIMSVCYUJFAEX-UHFFFAOYSA-N 0 0 328.865 4.095 50 0 EIAARN O=C(CCc1nnc(C2CCCC2)o1)N1CCCC2(CCCCC2)C1 ZINC000096472643 564148388 /nfs/dbraw/zinc/14/83/88/564148388.db2.gz CYGAJFXUZDJLBP-UHFFFAOYSA-N 0 0 345.487 4.233 50 0 EIAARN C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C1 ZINC000096483248 564148646 /nfs/dbraw/zinc/14/86/46/564148646.db2.gz NFLRBCTZAOGMHB-KGLIPLIRSA-N 0 0 336.501 4.202 50 0 EIAARN C=Cc1ccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)cc1 ZINC000283906544 564148991 /nfs/dbraw/zinc/14/89/91/564148991.db2.gz KIHGPTVWOLWJPO-UHFFFAOYSA-N 0 0 325.383 4.295 50 0 EIAARN COc1ccc2c(c1)OCC(/C=C1\C(=O)Nc3cc(Cl)ccc31)=C2 ZINC000096939512 564149023 /nfs/dbraw/zinc/14/90/23/564149023.db2.gz NTMDMTGKWJNKQY-APSNUPSMSA-N 0 0 339.778 4.160 50 0 EIAARN C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000097038609 564149266 /nfs/dbraw/zinc/14/92/66/564149266.db2.gz HOHXJQDGPXEGHS-ZDUSSCGKSA-N 0 0 341.459 4.095 50 0 EIAARN Cc1ncccc1N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000097038299 564149284 /nfs/dbraw/zinc/14/92/84/564149284.db2.gz KYYGJTHCRHILJW-NSHDSACASA-N 0 0 337.345 4.238 50 0 EIAARN O=C(Oc1ccccc1OCc1cscn1)c1ccccc1F ZINC000097164816 564149484 /nfs/dbraw/zinc/14/94/84/564149484.db2.gz FBLWOXDXKNPMNQ-UHFFFAOYSA-N 0 0 329.352 4.080 50 0 EIAARN C[C@@H](C1CC1)n1cc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cn1 ZINC000225551945 564149720 /nfs/dbraw/zinc/14/97/20/564149720.db2.gz REGRFAAJAQGOST-GWCFXTLKSA-N 0 0 344.381 4.049 50 0 EIAARN O=C(Cc1ccccc1Cl)NCc1cccnc1-c1ccsc1 ZINC000225644894 564150118 /nfs/dbraw/zinc/15/01/18/564150118.db2.gz YIOQOQPVSBDHEV-UHFFFAOYSA-N 0 0 342.851 4.322 50 0 EIAARN O=C(NCc1ccnc(-c2cccs2)c1)c1cccc(Cl)c1 ZINC000225651735 564150165 /nfs/dbraw/zinc/15/01/65/564150165.db2.gz YCBUSOLITXGFMP-UHFFFAOYSA-N 0 0 328.824 4.394 50 0 EIAARN O=C(CCNc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000002519804 564150294 /nfs/dbraw/zinc/15/02/94/564150294.db2.gz ACFLWCSYCWHJJY-UHFFFAOYSA-N 0 0 340.167 4.412 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1cc(-c2ccccc2)[nH]n1 ZINC000028243773 564150801 /nfs/dbraw/zinc/15/08/01/564150801.db2.gz ZSFNPINDJGBYEJ-UHFFFAOYSA-N 0 0 343.386 4.247 50 0 EIAARN Cc1ccsc1-c1nc(-c2cc(C)n(-c3nc[nH]n3)c2C)cs1 ZINC000028334447 564150969 /nfs/dbraw/zinc/15/09/69/564150969.db2.gz VQUSJZVQBZVSDY-UHFFFAOYSA-N 0 0 341.465 4.373 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccoc1C ZINC000131454702 564151085 /nfs/dbraw/zinc/15/10/85/564151085.db2.gz PYRBBGNKSVRROD-UHFFFAOYSA-N 0 0 341.436 4.121 50 0 EIAARN C[C@H](Sc1nnc2ccccn21)C(=O)Nc1ccc2ccccc2c1 ZINC000002620384 564151178 /nfs/dbraw/zinc/15/11/78/564151178.db2.gz FRGRHPLSKOPVHZ-ZDUSSCGKSA-N 0 0 348.431 4.002 50 0 EIAARN CCc1ccc(Nc2nnc(S[C@H]3CCCCC3=O)s2)cc1 ZINC000002627274 564151365 /nfs/dbraw/zinc/15/13/65/564151365.db2.gz SFVIRBMSIDPPOC-AWEZNQCLSA-N 0 0 333.482 4.448 50 0 EIAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccs1 ZINC000002647219 564151846 /nfs/dbraw/zinc/15/18/46/564151846.db2.gz CZPMDYCUAPTWLA-UHFFFAOYSA-N 0 0 325.418 4.377 50 0 EIAARN COc1ccccc1C(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000002763617 564152517 /nfs/dbraw/zinc/15/25/17/564152517.db2.gz KWYGDPQEIJMEQK-UHFFFAOYSA-N 0 0 349.434 4.118 50 0 EIAARN Cc1ccccc1Cn1cc(NC(=O)c2ccccc2Cl)cn1 ZINC000002767876 564152557 /nfs/dbraw/zinc/15/25/57/564152557.db2.gz VYAFFUJQSSZIHU-UHFFFAOYSA-N 0 0 325.799 4.146 50 0 EIAARN COc1ccc(NC(=S)N2CCCc3cc(C)ccc32)c(OC)c1 ZINC000002782412 564152585 /nfs/dbraw/zinc/15/25/85/564152585.db2.gz MXRRQOWZZBRDLG-UHFFFAOYSA-N 0 0 342.464 4.162 50 0 EIAARN c1ccc([C@@H]2C[C@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 ZINC000002786332 564152637 /nfs/dbraw/zinc/15/26/37/564152637.db2.gz XOPZBOGDGAAQJL-UONOGXRCSA-N 0 0 332.432 4.099 50 0 EIAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000002796382 564152726 /nfs/dbraw/zinc/15/27/26/564152726.db2.gz ZTGCRYFCGOABRX-GFCCVEGCSA-N 0 0 339.361 4.102 50 0 EIAARN C(SCc1nnc(C2CCC2)o1)c1noc(C2CCCCC2)n1 ZINC000162451651 564152932 /nfs/dbraw/zinc/15/29/32/564152932.db2.gz ZQNLOMQLXTVHMR-UHFFFAOYSA-N 0 0 334.445 4.201 50 0 EIAARN Cc1ccccc1NC(=O)[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000057234760 564153429 /nfs/dbraw/zinc/15/34/29/564153429.db2.gz WIUCUUCKSXFMEV-GOSISDBHSA-N 0 0 328.843 4.424 50 0 EIAARN Cc1ccoc1C(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000057357217 564153715 /nfs/dbraw/zinc/15/37/15/564153715.db2.gz XUIAQASTHAPTCO-UHFFFAOYSA-N 0 0 331.375 4.394 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(F)c1 ZINC000057412647 564154150 /nfs/dbraw/zinc/15/41/50/564154150.db2.gz WMIFJEOIJCGNLW-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN COCCN(C(=S)Nc1cc(C)ccc1C)[C@H](C)c1cccnc1 ZINC000003036586 564154579 /nfs/dbraw/zinc/15/45/79/564154579.db2.gz HJUSYPHCYYEJDP-MRXNPFEDSA-N 0 0 343.496 4.105 50 0 EIAARN C[C@@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000057508785 564154607 /nfs/dbraw/zinc/15/46/07/564154607.db2.gz QFOSPGQRYDHJKR-DNVCBOLYSA-N 0 0 336.460 4.454 50 0 EIAARN COCCN(C(=S)Nc1cc(C)cc(C)c1)[C@H](C)c1ccccn1 ZINC000003046590 564154654 /nfs/dbraw/zinc/15/46/54/564154654.db2.gz PCKOPPXZLFIRSM-MRXNPFEDSA-N 0 0 343.496 4.105 50 0 EIAARN Cc1nc(C(F)(F)F)c(C(=O)NCc2ccccc2Cl)s1 ZINC000003047035 564154662 /nfs/dbraw/zinc/15/46/62/564154662.db2.gz FSWSGVHYEPMQTB-UHFFFAOYSA-N 0 0 334.750 4.054 50 0 EIAARN CCOC(=O)c1ccc(Nc2ncnc3ccc(Cl)cc32)cc1 ZINC000057519767 564154675 /nfs/dbraw/zinc/15/46/75/564154675.db2.gz FHLBHQYBAJLYSL-UHFFFAOYSA-N 0 0 327.771 4.204 50 0 EIAARN Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(Cl)cc1 ZINC000003128605 564155347 /nfs/dbraw/zinc/15/53/47/564155347.db2.gz XVKKUQDLTQXTDH-UHFFFAOYSA-N 0 0 339.822 4.437 50 0 EIAARN CC(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)coc2c1C ZINC000003171829 564155602 /nfs/dbraw/zinc/15/56/02/564155602.db2.gz WBYOOJAIWSJEHV-UHFFFAOYSA-N 0 0 345.354 4.242 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)n1 ZINC000003236198 564156417 /nfs/dbraw/zinc/15/64/17/564156417.db2.gz SWQKRGPTCSBVMY-OAQYLSRUSA-N 0 0 345.446 4.297 50 0 EIAARN CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000003238938 564156439 /nfs/dbraw/zinc/15/64/39/564156439.db2.gz AZOWMCCTWSLNQL-UHFFFAOYSA-N 0 0 341.407 4.004 50 0 EIAARN CC(C)c1ccc(NC(=O)CSc2ncnc3ccccc32)cc1 ZINC000003244285 564156527 /nfs/dbraw/zinc/15/65/27/564156527.db2.gz VXOPCUVGXNGWCX-UHFFFAOYSA-N 0 0 337.448 4.484 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2ccccc21 ZINC000003244317 564156530 /nfs/dbraw/zinc/15/65/30/564156530.db2.gz XVQVASIQIBWIQS-UHFFFAOYSA-N 0 0 343.839 4.322 50 0 EIAARN Cc1sc2nc(SC[C@@H]3CC3(Cl)Cl)nc(N)c2c1C ZINC000031822700 564159999 /nfs/dbraw/zinc/15/99/99/564159999.db2.gz IXBKREKJXWFBDW-ZETCQYMHSA-N 0 0 334.297 4.176 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)COc1ncnc2ccccc21 ZINC000003266187 564156778 /nfs/dbraw/zinc/15/67/78/564156778.db2.gz OBPXMMSZISQXES-CQSZACIVSA-N 0 0 335.407 4.161 50 0 EIAARN CC(=O)c1ccc(OC(=O)CCc2nc3ccccc3s2)cc1 ZINC000003284550 564156957 /nfs/dbraw/zinc/15/69/57/564156957.db2.gz YQRNOXRVMVQLIK-UHFFFAOYSA-N 0 0 325.389 4.037 50 0 EIAARN COc1cc(NC(=O)N(CCC(C)C)C2CC2)c(OC)cc1Cl ZINC000057996595 564157046 /nfs/dbraw/zinc/15/70/46/564157046.db2.gz TWEHRVHXWJKARE-UHFFFAOYSA-N 0 0 340.851 4.400 50 0 EIAARN Cc1noc2ncc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cc12 ZINC000030923729 564158169 /nfs/dbraw/zinc/15/81/69/564158169.db2.gz HTNUTHCOVAOPIJ-VIFPVBQESA-N 0 0 349.312 4.041 50 0 EIAARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccccc2)c1C ZINC000003530203 564158748 /nfs/dbraw/zinc/15/87/48/564158748.db2.gz GHLXDQFMQSWVGF-UHFFFAOYSA-N 0 0 333.387 4.145 50 0 EIAARN Cc1nccc(-c2cccc(NC(=O)[C@H]3Cc4ccccc4S3)c2)n1 ZINC000031121434 564158926 /nfs/dbraw/zinc/15/89/26/564158926.db2.gz IZHHKSZPXDBVPF-LJQANCHMSA-N 0 0 347.443 4.108 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCc4ccccc4C3)s2)o1 ZINC000031204972 564159139 /nfs/dbraw/zinc/15/91/39/564159139.db2.gz YHBJEHPZKFLJNF-UHFFFAOYSA-N 0 0 338.432 4.218 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCc4sccc4C3)s2)o1 ZINC000031263938 564159233 /nfs/dbraw/zinc/15/92/33/564159233.db2.gz WLRLOQABXBGRTM-UHFFFAOYSA-N 0 0 344.461 4.280 50 0 EIAARN CCc1ccc(C(=O)CSc2nnc(CC3CCCC3)[nH]2)s1 ZINC000031798239 564159869 /nfs/dbraw/zinc/15/98/69/564159869.db2.gz KHIWIUUGPMEGPR-UHFFFAOYSA-N 0 0 335.498 4.136 50 0 EIAARN C[C@@H]1CC(=O)c2c1c(Cl)ccc2OCC(=O)N(C)C1CCCCC1 ZINC000031871372 564160085 /nfs/dbraw/zinc/16/00/85/564160085.db2.gz DJZGQGJJJMEUDG-GFCCVEGCSA-N 0 0 349.858 4.200 50 0 EIAARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004082036 564160443 /nfs/dbraw/zinc/16/04/43/564160443.db2.gz DVBAEBPCDUVZPB-CWAYHHJTSA-N 0 0 342.479 4.245 50 0 biogenic EIAARN O=C(N[C@H]1CCSc2ccccc21)c1cc(-c2cccs2)on1 ZINC000032339112 564161256 /nfs/dbraw/zinc/16/12/56/564161256.db2.gz XNPQKAILPNWREP-LBPRGKRZSA-N 0 0 342.445 4.370 50 0 EIAARN C[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1nc(-c2ccccc2)cs1 ZINC000263403467 564161525 /nfs/dbraw/zinc/16/15/25/564161525.db2.gz IXPBQRROQYNWHY-GRTSSRMGSA-N 0 0 330.453 4.104 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)n1 ZINC000007984504 564161767 /nfs/dbraw/zinc/16/17/67/564161767.db2.gz YPTBZVSFDMRBOL-UHFFFAOYSA-N 0 0 340.810 4.500 50 0 EIAARN Cc1sc2nc(C)nc(Oc3ccc(-c4nnco4)cc3)c2c1C ZINC000007984090 564161779 /nfs/dbraw/zinc/16/17/79/564161779.db2.gz NRHPBZUQMQEINX-UHFFFAOYSA-N 0 0 338.392 4.459 50 0 EIAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(C(C)C)s1 ZINC000007996104 564162057 /nfs/dbraw/zinc/16/20/57/564162057.db2.gz JRNLUCDXBNZZGL-UHFFFAOYSA-N 0 0 344.465 4.346 50 0 EIAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C1CCC1 ZINC000008009869 564162107 /nfs/dbraw/zinc/16/21/07/564162107.db2.gz DGMDHWZWYPWBQB-UHFFFAOYSA-N 0 0 345.446 4.298 50 0 EIAARN CSc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000008024126 564162232 /nfs/dbraw/zinc/16/22/32/564162232.db2.gz UMQCVAQOGBZUEP-GFCCVEGCSA-N 0 0 333.840 4.252 50 0 EIAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2ccccc2c1 ZINC000008036295 564162311 /nfs/dbraw/zinc/16/23/11/564162311.db2.gz JGVPNQWNNOJSRH-UHFFFAOYSA-N 0 0 333.387 4.232 50 0 EIAARN C[C@H](Nc1nc(-c2cccnc2)nc2ccccc21)c1ccccn1 ZINC000008053985 564162425 /nfs/dbraw/zinc/16/24/25/564162425.db2.gz IBIABEILFVRRRL-AWEZNQCLSA-N 0 0 327.391 4.260 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1cc2ccccc2o1 ZINC000008070181 564162490 /nfs/dbraw/zinc/16/24/90/564162490.db2.gz FRTMSCHHWFRYKM-LLVKDONJSA-N 0 0 347.773 4.482 50 0 EIAARN C[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)C[C@@H](C)O1 ZINC000008078463 564162586 /nfs/dbraw/zinc/16/25/86/564162586.db2.gz ZWJRXKLWRAPITF-VXGBXAGGSA-N 0 0 343.427 4.111 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(F)cc1F ZINC000008076472 564162593 /nfs/dbraw/zinc/16/25/93/564162593.db2.gz POZQYVYNXRTPAT-UHFFFAOYSA-N 0 0 341.361 4.079 50 0 EIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)Cc1c(F)cccc1Cl ZINC000008128283 564162960 /nfs/dbraw/zinc/16/29/60/564162960.db2.gz GHNZZQZSJSSHAJ-GFCCVEGCSA-N 0 0 335.806 4.216 50 0 EIAARN Cc1cccn2cc(CSc3nnc(-c4ccccc4F)o3)nc12 ZINC000008132912 564163070 /nfs/dbraw/zinc/16/30/70/564163070.db2.gz PIFKAUVLTAZSFY-UHFFFAOYSA-N 0 0 340.383 4.124 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000008140460 564163146 /nfs/dbraw/zinc/16/31/46/564163146.db2.gz KEYPRTYZRQCJRE-CZUORRHYSA-N 0 0 332.444 4.342 50 0 EIAARN CN(Cc1ccccc1N1CCCCC1)c1ncnc2sccc21 ZINC000008165356 564163290 /nfs/dbraw/zinc/16/32/90/564163290.db2.gz MXEIUVHGHFYFDP-UHFFFAOYSA-N 0 0 338.480 4.318 50 0 EIAARN C[C@@H]1CCc2c(sc3ncnc(Sc4nnc(C5CC5)o4)c23)C1 ZINC000008198710 564163508 /nfs/dbraw/zinc/16/35/08/564163508.db2.gz TUFMGYURIJHJHS-MRVPVSSYSA-N 0 0 344.465 4.228 50 0 EIAARN C[C@@H]1c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2O[C@H]1C ZINC000008275931 564163934 /nfs/dbraw/zinc/16/39/34/564163934.db2.gz PEDBDRRKYBNSPG-KBPBESRZSA-N 0 0 334.419 4.025 50 0 EIAARN Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1C ZINC000008312806 564164208 /nfs/dbraw/zinc/16/42/08/564164208.db2.gz SZXLHASJTDYVNC-UHFFFAOYSA-N 0 0 331.799 4.370 50 0 EIAARN CCc1ccc(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000008324362 564164398 /nfs/dbraw/zinc/16/43/98/564164398.db2.gz MJDLKJCITWRBPF-UHFFFAOYSA-N 0 0 346.810 4.016 50 0 EIAARN CC[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008326963 564164449 /nfs/dbraw/zinc/16/44/49/564164449.db2.gz CYPGPJKQWSWMHC-BCFZYGEVSA-N 0 0 349.906 4.107 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N(Cc1ccsc1)C1CC1 ZINC000067075305 564164944 /nfs/dbraw/zinc/16/49/44/564164944.db2.gz LWCSWBNAILSJNR-UHFFFAOYSA-N 0 0 342.439 4.411 50 0 EIAARN COc1ccc(C(=O)C2CCN(C(=O)CC3=CCCCC3)CC2)cc1 ZINC000171534929 564164964 /nfs/dbraw/zinc/16/49/64/564164964.db2.gz HJNWHWXIPXUVLR-UHFFFAOYSA-N 0 0 341.451 4.007 50 0 EIAARN C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cccs1 ZINC000008391506 564164970 /nfs/dbraw/zinc/16/49/70/564164970.db2.gz ZBTJAGHQBIBCHQ-SECBINFHSA-N 0 0 330.236 4.311 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)N[C@@H]2CCCC[C@H]2C)s1 ZINC000008394803 564165097 /nfs/dbraw/zinc/16/50/97/564165097.db2.gz FQJQYDOCFNTAKD-BXUZGUMPSA-N 0 0 349.525 4.041 50 0 EIAARN COc1ccc(NC(=O)CSc2ccc(F)c(Cl)c2)cc1 ZINC000008403608 564165140 /nfs/dbraw/zinc/16/51/40/564165140.db2.gz WGCUGLCYYDHPSG-UHFFFAOYSA-N 0 0 325.792 4.219 50 0 EIAARN COc1ccccc1CN(C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000008491566 564165459 /nfs/dbraw/zinc/16/54/59/564165459.db2.gz LGZAQNRVFQMBKM-UHFFFAOYSA-N 0 0 337.419 4.050 50 0 EIAARN CCc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1 ZINC000008496609 564165503 /nfs/dbraw/zinc/16/55/03/564165503.db2.gz XWLBPTRVKUOJDW-UHFFFAOYSA-N 0 0 334.495 4.099 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3NCc2ccccc2)cc1C ZINC000008583073 564165827 /nfs/dbraw/zinc/16/58/27/564165827.db2.gz XYTYRGLMTKRMOG-UHFFFAOYSA-N 0 0 329.407 4.044 50 0 EIAARN CCCn1c(=O)sc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000008594721 564165948 /nfs/dbraw/zinc/16/59/48/564165948.db2.gz OFGHFHJSNMCYDM-UHFFFAOYSA-N 0 0 346.839 4.379 50 0 EIAARN C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1cccs1 ZINC000008706695 564166509 /nfs/dbraw/zinc/16/65/09/564166509.db2.gz FVKHPXLTBBLSGS-SECBINFHSA-N 0 0 346.399 4.131 50 0 EIAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc2[nH]cnc2c1 ZINC000008719905 564166905 /nfs/dbraw/zinc/16/69/05/564166905.db2.gz SLXUTCLKPXTDGG-UHFFFAOYSA-N 0 0 326.406 4.000 50 0 EIAARN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cc(C)on2)cc1 ZINC000008723840 564166958 /nfs/dbraw/zinc/16/69/58/564166958.db2.gz QSQDONPXILIXDQ-INIZCTEOSA-N 0 0 329.400 4.141 50 0 EIAARN Cc1cc(=O)c(C(=O)Nc2ccc(SC(C)(C)C)cc2C)c[nH]1 ZINC000172740695 564167689 /nfs/dbraw/zinc/16/76/89/564167689.db2.gz SHJCCYQUBHVSGW-UHFFFAOYSA-N 0 0 330.453 4.135 50 0 EIAARN COc1ccc(C2=CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1 ZINC000040119702 564168196 /nfs/dbraw/zinc/16/81/96/564168196.db2.gz PZHCUJJVFJMSJY-UHFFFAOYSA-N 0 0 325.383 4.072 50 0 EIAARN COc1ccccc1C1(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)CC1 ZINC000245070478 564168614 /nfs/dbraw/zinc/16/86/14/564168614.db2.gz QLKSJUPGPZATJA-HNNXBMFYSA-N 0 0 349.430 4.220 50 0 EIAARN CO[C@H](CNC(=O)c1ccccc1SC)c1cc2ccccc2o1 ZINC000245130881 564168660 /nfs/dbraw/zinc/16/86/60/564168660.db2.gz VCOUWOLXTZPGIP-QGZVFWFLSA-N 0 0 341.432 4.272 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2SCC(F)(F)F)[C@H]1C ZINC000245237065 564168808 /nfs/dbraw/zinc/16/88/08/564168808.db2.gz DPLXMHAMUMQAIC-NTZNESFSSA-N 0 0 346.418 4.291 50 0 EIAARN CCCc1noc([C@@H](C)N[C@@H](c2cccnc2)C2CCCCC2)n1 ZINC000069443380 564169528 /nfs/dbraw/zinc/16/95/28/564169528.db2.gz MGJUPBUIEZSHGX-RDTXWAMCSA-N 0 0 328.460 4.389 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000069458245 564169711 /nfs/dbraw/zinc/16/97/11/564169711.db2.gz QCSWMPWGZFMUGB-SECBINFHSA-N 0 0 341.238 4.360 50 0 EIAARN C[C@@H](c1cccnc1)N(C(=O)c1cc(-c2cccs2)on1)C1CC1 ZINC000069508887 564169973 /nfs/dbraw/zinc/16/99/73/564169973.db2.gz WRLKVNAFUCHXIW-LBPRGKRZSA-N 0 0 339.420 4.164 50 0 EIAARN COc1ccccc1/C(C)=C/C(=O)N(C)Cc1ccc(F)cc1F ZINC000069516074 564170066 /nfs/dbraw/zinc/17/00/66/564170066.db2.gz 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/nfs/dbraw/zinc/17/06/18/564170618.db2.gz VMOLHXYCFZTGKI-ZDUSSCGKSA-N 0 0 344.484 4.306 50 0 EIAARN CN(C(=O)Cc1cccs1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000069581770 564170627 /nfs/dbraw/zinc/17/06/27/564170627.db2.gz YVRLMVBNSSMECU-LJQANCHMSA-N 0 0 340.423 4.073 50 0 EIAARN CCN(C[C@H]1CCOC1)C(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000069594146 564170765 /nfs/dbraw/zinc/17/07/65/564170765.db2.gz UMTZWKZUJUYXIS-CQSZACIVSA-N 0 0 345.468 4.009 50 0 EIAARN CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000069618714 564170933 /nfs/dbraw/zinc/17/09/33/564170933.db2.gz AGCMKVLCNNBBLY-SFHVURJKSA-N 0 0 349.438 4.272 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000069666391 564171397 /nfs/dbraw/zinc/17/13/97/564171397.db2.gz VECFXHWEDCYRBQ-HOTGVXAUSA-N 0 0 331.847 4.476 50 0 EIAARN Cc1nc(C2(NCc3ncc(C(C)(C)C)o3)CCCCCC2)no1 ZINC000069707749 564171720 /nfs/dbraw/zinc/17/17/20/564171720.db2.gz YOTASZDXIOZBPB-UHFFFAOYSA-N 0 0 332.448 4.003 50 0 EIAARN Fc1ccc([C@@H](NCc2nnc(-c3ccco3)o2)C2CCC2)cc1 ZINC000069709896 564171729 /nfs/dbraw/zinc/17/17/29/564171729.db2.gz GNIMELCEHUTLKM-KRWDZBQOSA-N 0 0 327.359 4.100 50 0 EIAARN O=C(C1CCCC1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000069738743 564171822 /nfs/dbraw/zinc/17/18/22/564171822.db2.gz ZPARWVJITDQQPY-UHFFFAOYSA-N 0 0 341.480 4.101 50 0 EIAARN O=C(CC(F)(F)F)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000069739306 564171881 /nfs/dbraw/zinc/17/18/81/564171881.db2.gz JWMAVBKYQCNWJL-LLVKDONJSA-N 0 0 325.252 4.321 50 0 EIAARN O=C(NCc1csc(C2CC2)n1)c1ccccc1OC1CCCC1 ZINC000069753076 564171973 /nfs/dbraw/zinc/17/19/73/564171973.db2.gz ZTTMJSJMXOQFPS-UHFFFAOYSA-N 0 0 342.464 4.272 50 0 EIAARN CC[C@H](CC(=O)N1CCC(Nc2cccnc2)CC1)c1ccccc1 ZINC000069773452 564172081 /nfs/dbraw/zinc/17/20/81/564172081.db2.gz JZAMKFLFXWMKPW-QGZVFWFLSA-N 0 0 337.467 4.068 50 0 EIAARN O=C(Nc1ncccc1O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000069899684 564172690 /nfs/dbraw/zinc/17/26/90/564172690.db2.gz YCXXSRZNIJHYQV-UHFFFAOYSA-N 0 0 343.386 4.043 50 0 EIAARN Cc1nccn1[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000069952239 564172893 /nfs/dbraw/zinc/17/28/93/564172893.db2.gz WZTAJVKQLRIFEB-NRFANRHFSA-N 0 0 347.462 4.141 50 0 EIAARN CCCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1Cl ZINC000041095640 564173151 /nfs/dbraw/zinc/17/31/51/564173151.db2.gz KAKNTYUWDQXZGO-UHFFFAOYSA-N 0 0 345.892 4.082 50 0 EIAARN Cn1cc([C@H]2CCCN2Cc2coc(-c3cccc(Cl)c3)n2)cn1 ZINC000070038631 564173462 /nfs/dbraw/zinc/17/34/62/564173462.db2.gz GADZKTGWTRNRBN-QGZVFWFLSA-N 0 0 342.830 4.066 50 0 EIAARN CO[C@H](C)c1cccc(NC(=O)NCCc2ccc(F)cc2F)c1 ZINC000070051766 564173603 /nfs/dbraw/zinc/17/36/03/564173603.db2.gz GXUKNOHRHQSXGF-GFCCVEGCSA-N 0 0 334.366 4.036 50 0 EIAARN Clc1cccc(OCCSc2nncn2-c2ccccc2)c1 ZINC000009468545 564173802 /nfs/dbraw/zinc/17/38/02/564173802.db2.gz GHTSMIAOBBJBHB-UHFFFAOYSA-N 0 0 331.828 4.092 50 0 EIAARN CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 ZINC000009514061 564173959 /nfs/dbraw/zinc/17/39/59/564173959.db2.gz PZHDWFPWEPUINQ-FOIQADDNSA-N 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/nfs/dbraw/zinc/41/46/00/568414600.db2.gz UHBJPGMNPJXILE-UHFFFAOYSA-N 0 0 335.432 4.163 50 0 EIAARN O=C(NN=Cc1ccc(Cl)c(Cl)c1)c1cccc2cc[nH]c21 ZINC000254843932 1019343213 /nfs/dbraw/zinc/34/32/13/1019343213.db2.gz CTNPVCJQHQDMRW-UHFFFAOYSA-N 0 0 332.190 4.239 50 0 EIAARN O=C(NC1(c2ccc(F)cc2F)CCCC1)c1ocnc1C1CC1 ZINC000288881808 1020914187 /nfs/dbraw/zinc/91/41/87/1020914187.db2.gz ZOWXYVINTAZTQC-UHFFFAOYSA-N 0 0 332.350 4.030 50 0 EIAARN CCOc1cc2c(cc1NC(=O)/C=C/c1ccc(C)s1)O[C@H](C)C2 ZINC000016303013 1021614889 /nfs/dbraw/zinc/61/48/89/1021614889.db2.gz QAJLDEYXBPICCH-ABZNLYFFSA-N 0 0 343.448 4.431 50 0 EIAARN Cc1cccc(C(=O)N2CC[C@H](CCOc3ccc(F)cc3)C2)c1 ZINC000581788700 1021874563 /nfs/dbraw/zinc/87/45/63/1021874563.db2.gz SQAOURHNMPXTEM-MRXNPFEDSA-N 0 0 327.399 4.065 50 0 EIAARN CC(C)(C)OC(=O)Nc1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000238852484 1033031536 /nfs/dbraw/zinc/03/15/36/1033031536.db2.gz GGSJBAYWLDEMPN-UHFFFAOYSA-N 0 0 334.294 4.144 50 0 EIAARN COc1cc(CNc2cc(C)c3cccc(OC)c3n2)cc(OC)c1 ZINC000023634514 1022706811 /nfs/dbraw/zinc/70/68/11/1022706811.db2.gz DLUDWHVUYAVFJA-UHFFFAOYSA-N 0 0 338.407 4.181 50 0 EIAARN O=C(CCSc1ccccc1)NCC(c1ccco1)c1ccco1 ZINC000675007880 1023309384 /nfs/dbraw/zinc/30/93/84/1023309384.db2.gz YRMDYZXHDGZIHH-UHFFFAOYSA-N 0 0 341.432 4.303 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)NCC(c1ccco1)c1ccco1 ZINC000675007809 1023309682 /nfs/dbraw/zinc/30/96/82/1023309682.db2.gz SAJIRLJATXXFIA-UHFFFAOYSA-N 0 0 347.773 4.156 50 0 EIAARN O=C(NCC1(CCO)CCCCC1)c1cc2cc(Cl)ccc2o1 ZINC000135834738 1023344127 /nfs/dbraw/zinc/34/41/27/1023344127.db2.gz XKAVUHKXKUGHTR-UHFFFAOYSA-N 0 0 335.831 4.149 50 0 EIAARN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C(C)=O)s1)CCC2 ZINC000331513851 1023662421 /nfs/dbraw/zinc/66/24/21/1023662421.db2.gz JIYCUJHSTBTSOV-GFCCVEGCSA-N 0 0 348.493 4.119 50 0 EIAARN Cc1nc(C)c(CNC(=O)c2oc3c(c2C)c(C)ccc3C)s1 ZINC000331801749 1023770022 /nfs/dbraw/zinc/77/00/22/1023770022.db2.gz LXMZAUXQZRKYGC-UHFFFAOYSA-N 0 0 328.437 4.361 50 0 EIAARN Oc1ccc(-n2cnnc2)cc1-c1nc2cc(Cl)cc(Cl)c2o1 ZINC000045920640 1024220870 /nfs/dbraw/zinc/22/08/70/1024220870.db2.gz VEZYCSCITQRQDX-UHFFFAOYSA-N 0 0 347.161 4.088 50 0 EIAARN CCCN(CCc1ccccn1)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000176211263 1025050483 /nfs/dbraw/zinc/05/04/83/1025050483.db2.gz CYQOQTXRIWOLLW-MRXNPFEDSA-N 0 0 336.435 4.413 50 0 EIAARN Cc1oc(-c2cccc3ccccc32)nc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000014948393 1025281614 /nfs/dbraw/zinc/28/16/14/1025281614.db2.gz BFFBNDFVJWUCFN-GASCZTMLSA-N 0 0 336.435 4.412 50 0 EIAARN O=C(Nc1ccc2cc[nH]c2c1)N(CCO)[C@H]1CCCc2ccccc21 ZINC000194291356 1026090737 /nfs/dbraw/zinc/09/07/37/1026090737.db2.gz UQKVGRQFRXJBLR-FQEVSTJZSA-N 0 0 349.434 4.072 50 0 EIAARN CCOc1ccc2c(c1)[C@@H](NCc1nc(-c3ccccc3)c[nH]1)CCO2 ZINC000194423399 1026816564 /nfs/dbraw/zinc/81/65/64/1026816564.db2.gz JTEKPMLVCMGOBN-SFHVURJKSA-N 0 0 349.434 4.089 50 0 EIAARN O[C@H](COc1ccc(Cl)cc1)CSc1nc2ccccc2o1 ZINC000023114844 1027732616 /nfs/dbraw/zinc/73/26/16/1027732616.db2.gz ZMCONHGPCSOIMX-GFCCVEGCSA-N 0 0 335.812 4.013 50 0 EIAARN COc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 ZINC000016030037 1027860408 /nfs/dbraw/zinc/86/04/08/1027860408.db2.gz WUXNQMYIZSXZIX-UHFFFAOYSA-N 0 0 341.338 4.259 50 0 EIAARN COc1ccccc1N1C(=O)c2ccccc2/C(=C/c2ccco2)C1=O ZINC000022748252 1030310135 /nfs/dbraw/zinc/31/01/35/1030310135.db2.gz XKEBWTMRTAHIGM-LGMDPLHJSA-N 0 0 345.354 4.016 50 0 EIAARN CCCCS[C@H](C)C(=O)N(C)c1nc(-c2ccccn2)cs1 ZINC000585124749 1033633063 /nfs/dbraw/zinc/63/30/63/1033633063.db2.gz QLTQXUXUGODEIQ-GFCCVEGCSA-N 0 0 335.498 4.090 50 0 EIAARN O=C(/C=C\c1nccs1)N[C@@H](c1cccs1)c1ccccc1 ZINC000047416263 1034504209 /nfs/dbraw/zinc/50/42/09/1034504209.db2.gz YOUXQUSLDNQQDZ-XZVRFQMRSA-N 0 0 326.446 4.124 50 0 EIAARN CC(C)CC(=O)N1CCC2(CC1)C[C@H](Cc1cccc(F)c1)CCO2 ZINC000257190444 1036403458 /nfs/dbraw/zinc/40/34/58/1036403458.db2.gz MPAYAZCOMLSLQL-SFHVURJKSA-N 0 0 347.474 4.202 50 0 EIAARN c1sc(=Nc2cccnc2)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000254385318 1037781024 /nfs/dbraw/zinc/78/10/24/1037781024.db2.gz WEQRWCJMMPLWPX-QGZVFWFLSA-N 0 0 337.448 4.023 50 0 EIAARN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)CCc2cccn2C)o1 ZINC000176026885 1037818367 /nfs/dbraw/zinc/81/83/67/1037818367.db2.gz OLLXMDMNGUZXPA-MAUKXSAKSA-N 0 0 343.471 4.184 50 0 EIAARN CCc1onc(C)c1NC(=O)NC1(c2c(F)cccc2F)CCC1 ZINC000626462849 1038017972 /nfs/dbraw/zinc/01/79/72/1038017972.db2.gz PPESAAOKFIYITI-UHFFFAOYSA-N 0 0 335.354 4.025 50 0 EIAARN COCc1cccc(N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000173891966 1038767109 /nfs/dbraw/zinc/76/71/09/1038767109.db2.gz PJGLENJDHOAIIK-QGZVFWFLSA-N 0 0 344.842 4.094 50 0 EIAARN c1ccc2ncc(CNc3cccc(OC[C@@H]4CCCO4)c3)cc2c1 ZINC000265210066 1038837879 /nfs/dbraw/zinc/83/78/79/1038837879.db2.gz RFPZTYHZPYNTJY-FQEVSTJZSA-N 0 0 334.419 4.405 50 0 EIAARN COc1ccccc1CC(=O)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096565076 1040925829 /nfs/dbraw/zinc/92/58/29/1040925829.db2.gz OIWMYJWUVBPEHL-SEYXRHQNSA-N 0 0 344.414 4.442 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)Nc1ccc(C)cc1 ZINC000096568785 1040929813 /nfs/dbraw/zinc/92/98/13/1040929813.db2.gz TWALWJQNZXHFFL-KTKRTIGZSA-N 0 0 331.847 4.461 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(-c2ccccc2)o1 ZINC000084562700 1041226724 /nfs/dbraw/zinc/22/67/24/1041226724.db2.gz KHGVPKYHNIRXHJ-YRNVUSSQSA-N 0 0 347.370 4.005 50 0 EIAARN Cc1cc(CO)oc1C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000339348757 1041275155 /nfs/dbraw/zinc/27/51/55/1041275155.db2.gz LQKFWCAVGIZXGB-GOSISDBHSA-N 0 0 327.424 4.011 50 0 EIAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(F)c(F)c1 ZINC000096759119 1041600851 /nfs/dbraw/zinc/60/08/51/1041600851.db2.gz CLWYRYOVSGOKHS-KPKJPENVSA-N 0 0 344.386 4.297 50 0 EIAARN CCOc1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000007057449 1042203180 /nfs/dbraw/zinc/20/31/80/1042203180.db2.gz HUYDSVXWAOOFDH-VAWYXSNFSA-N 0 0 337.828 4.151 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000012600157 1042425298 /nfs/dbraw/zinc/42/52/98/1042425298.db2.gz VACDSKHVWASARO-UHFFFAOYSA-N 0 0 343.386 4.394 50 0 EIAARN Cn1cc(/C=C/C(=O)Nc2ccc(SC3CCCC3)cc2)cn1 ZINC000030510440 1042542754 /nfs/dbraw/zinc/54/27/54/1042542754.db2.gz CBFVGQOQEBQTAP-IZZDOVSWSA-N 0 0 327.453 4.107 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@@H]2c2cccn2C)c2nccc(C)c2c1 ZINC000339838082 1042782148 /nfs/dbraw/zinc/78/21/48/1042782148.db2.gz MCRROYUVSVXXPQ-LJQANCHMSA-N 0 0 333.435 4.167 50 0 EIAARN O=C(NCc1ccsc1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000175364904 1042867287 /nfs/dbraw/zinc/86/72/87/1042867287.db2.gz BFMJANKGQROYMC-SFHVURJKSA-N 0 0 326.465 4.500 50 0 EIAARN Fc1ccc2nc(/C(Cl)=C\c3nccn3CC(F)(F)F)oc2c1 ZINC000606443578 1043068182 /nfs/dbraw/zinc/06/81/82/1043068182.db2.gz MABUCXKLHDIUEU-RMKNXTFCSA-N 0 0 345.683 4.463 50 0 EIAARN Cc1nc(C)c(C(=O)Nc2nc3ccccc3n2C2CCCCC2)o1 ZINC000172731329 1043235022 /nfs/dbraw/zinc/23/50/22/1043235022.db2.gz VDPGRIVVAWDYKL-UHFFFAOYSA-N 0 0 338.411 4.399 50 0 EIAARN Cc1cnc([C@@H](C)NC(=O)c2cc3c(C(C)C)nn(C)c3s2)s1 ZINC000177863159 1043399340 /nfs/dbraw/zinc/39/93/40/1043399340.db2.gz FHTCZWSEJYEVFW-SNVBAGLBSA-N 0 0 348.497 4.014 50 0 EIAARN C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)c2cncs2)C1 ZINC000822416778 1044090721 /nfs/dbraw/zinc/09/07/21/1044090721.db2.gz MCZUBHAJOYZUIM-NSHDSACASA-N 0 0 335.860 4.285 50 0 EIAARN Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc4c(c3)C[C@@H](C)O4)c2)n1 ZINC000822512935 1044117685 /nfs/dbraw/zinc/11/76/85/1044117685.db2.gz YRVOFPATBCAKJE-OAHLLOKOSA-N 0 0 347.418 4.065 50 0 EIAARN CCCc1nc(C)c(CNC(=O)N[C@H](C)c2ccc(F)cc2)s1 ZINC000823015207 1044208175 /nfs/dbraw/zinc/20/81/75/1044208175.db2.gz ZDGPGNRSXDWLTN-LLVKDONJSA-N 0 0 335.448 4.104 50 0 EIAARN O=C(Nc1nc(C2CC2)cs1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000181438862 1044314751 /nfs/dbraw/zinc/31/47/51/1044314751.db2.gz SASWDUWQWRBYEB-ZDUSSCGKSA-N 0 0 347.415 4.195 50 0 EIAARN COc1cc(Cl)cc2c1O[C@H](C)C(=O)N(c1cccc(F)c1C)C2 ZINC000824557992 1044519581 /nfs/dbraw/zinc/51/95/81/1044519581.db2.gz VPSWRMZQWIZAPI-LLVKDONJSA-N 0 0 349.789 4.110 50 0 EIAARN O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1cccs1 ZINC000827802383 1044902656 /nfs/dbraw/zinc/90/26/56/1044902656.db2.gz FLECNPSFSPGMLO-MRXNPFEDSA-N 0 0 325.433 4.374 50 0 EIAARN O=C(C[C@H](Cc1ccccc1)c1ccco1)NCc1cccs1 ZINC000827802382 1044904307 /nfs/dbraw/zinc/90/43/07/1044904307.db2.gz FLECNPSFSPGMLO-INIZCTEOSA-N 0 0 325.433 4.374 50 0 EIAARN Cc1ccc(-c2noc(C[C@@H]3CCCOC3)n2)c(OC2CCCC2)c1 ZINC000809427953 1047377655 /nfs/dbraw/zinc/37/76/55/1047377655.db2.gz NFNJLNRMBOQEOY-HNNXBMFYSA-N 0 0 342.439 4.336 50 0 EIAARN C[C@H](O)CN(Cc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000217213640 1048179760 /nfs/dbraw/zinc/17/97/60/1048179760.db2.gz GASMLMFIZGCGAC-AWEZNQCLSA-N 0 0 342.826 4.382 50 0 EIAARN FC(F)(F)c1cc(N2CC[C@H](COCc3ccccc3)C2)ccn1 ZINC000585080995 1049387283 /nfs/dbraw/zinc/38/72/83/1049387283.db2.gz JTRGPUCFLIYHCF-HNNXBMFYSA-N 0 0 336.357 4.144 50 0 EIAARN O=C(CCc1c(Cl)cccc1Cl)N[C@H]1CCC12CCOCC2 ZINC000585409281 1049498333 /nfs/dbraw/zinc/49/83/33/1049498333.db2.gz MXBMAARIBYNEGF-HNNXBMFYSA-N 0 0 342.266 4.001 50 0 EIAARN CC[C@H]1C[C@H](CC(=O)Nc2ccccc2-c2ncc(C)o2)CCO1 ZINC000585124414 1049587913 /nfs/dbraw/zinc/58/79/13/1049587913.db2.gz CIKSWPBLUWUOOQ-CABCVRRESA-N 0 0 328.412 4.184 50 0 EIAARN Fc1ccc(OC[C@H]2CCCO2)c(-c2cccc3nsnc32)c1 ZINC000952847879 1049676679 /nfs/dbraw/zinc/67/66/79/1049676679.db2.gz BHJLKRHJZLUPGQ-GFCCVEGCSA-N 0 0 330.384 4.055 50 0 EIAARN CCOc1ccc(O[C@H](C)C(=O)Nc2ccc3scnc3c2)cc1 ZINC000952965691 1049684697 /nfs/dbraw/zinc/68/46/97/1049684697.db2.gz SUXDKDZWJOGGRM-GFCCVEGCSA-N 0 0 342.420 4.101 50 0 EIAARN CCC[C@@H](C(=O)Nc1ccc(NC(=O)CC)cc1C)n1cccc1 ZINC000952978650 1049685976 /nfs/dbraw/zinc/68/59/76/1049685976.db2.gz SLMFSHTWBBNMHV-KRWDZBQOSA-N 0 0 327.428 4.125 50 0 EIAARN O=C(Cc1cccs1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000952977092 1049686063 /nfs/dbraw/zinc/68/60/63/1049686063.db2.gz OLKONVDHRLGIDH-INIZCTEOSA-N 0 0 329.465 4.010 50 0 EIAARN CC[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)Cc2ccc(C)o2)c1 ZINC000952978577 1049686679 /nfs/dbraw/zinc/68/66/79/1049686679.db2.gz QZKUAZXDWRNHDP-CQSZACIVSA-N 0 0 342.439 4.235 50 0 EIAARN C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2cccc3cccnc32)cc1 ZINC000952974821 1049686960 /nfs/dbraw/zinc/68/69/60/1049686960.db2.gz BSSOKHOFZXDCEL-AWEZNQCLSA-N 0 0 345.402 4.002 50 0 EIAARN CSc1ncc(C[N@@H+]2CCCC[C@@H]2CCc2cccs2)cn1 ZINC000952968627 1049688437 /nfs/dbraw/zinc/68/84/37/1049688437.db2.gz FNGYAFNPJRYPHF-OAHLLOKOSA-N 0 0 333.526 4.247 50 0 EIAARN CCCn1cc(C(=O)N2CCCC[C@@H]2CCc2cccs2)c(C)n1 ZINC000952989281 1049690717 /nfs/dbraw/zinc/69/07/17/1049690717.db2.gz IGHVIURVJNCEPY-MRXNPFEDSA-N 0 0 345.512 4.291 50 0 EIAARN COc1ccc2nc(N3CCC[C@H](c4nccs4)C3)ccc2c1 ZINC000180227167 1049865660 /nfs/dbraw/zinc/86/56/60/1049865660.db2.gz IUTOSMUNFCLULY-AWEZNQCLSA-N 0 0 325.437 4.084 50 0 EIAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)CCc2ccc3[nH]ccc3c2)s1 ZINC000180506295 1049908753 /nfs/dbraw/zinc/90/87/53/1049908753.db2.gz SKNMLOCTSFHSHM-CYBMUJFWSA-N 0 0 341.480 4.393 50 0 EIAARN Fc1cc(Cl)cc(Cl)c1NCc1noc(C2CCOCC2)n1 ZINC000180872335 1049956018 /nfs/dbraw/zinc/95/60/18/1049956018.db2.gz OBZRWGPGUYEXAF-UHFFFAOYSA-N 0 0 346.189 4.022 50 0 EIAARN CCn1ncc2ccc(N[C@@H]3CCCOc4ccc(OC)cc43)cc21 ZINC000182963855 1050923207 /nfs/dbraw/zinc/92/32/07/1050923207.db2.gz GWQXAXNSTKCAAJ-GOSISDBHSA-N 0 0 337.423 4.391 50 0 EIAARN CN(CCc1ccc(F)cc1)C(=O)c1scnc1C1CCCC1 ZINC000184277847 1051899215 /nfs/dbraw/zinc/89/92/15/1051899215.db2.gz ZZKNUVQMQXJMQX-UHFFFAOYSA-N 0 0 332.444 4.255 50 0 EIAARN CCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2)cc1 ZINC000006837681 1055293310 /nfs/dbraw/zinc/29/33/10/1055293310.db2.gz WSSGWCMANLPMTE-LJQANCHMSA-N 0 0 340.448 4.122 50 0 EIAARN CCc1nn(-c2ccc(Cl)cc2)c(CC)c1C(=O)N1CCCCC1 ZINC000006871283 1055299328 /nfs/dbraw/zinc/29/93/28/1055299328.db2.gz DRQULVIUIYLZHN-UHFFFAOYSA-N 0 0 345.874 4.277 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccs1 ZINC000088233145 1056597781 /nfs/dbraw/zinc/59/77/81/1056597781.db2.gz NTJITOHBIIQNGH-LLVKDONJSA-N 0 0 339.420 4.418 50 0 EIAARN C[C@@H](NC(=O)N[C@@H]1CCCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000054950658 1056684625 /nfs/dbraw/zinc/68/46/25/1056684625.db2.gz GWGRFVYQIRLIMW-CZUORRHYSA-N 0 0 334.423 4.001 50 0 EIAARN CC(C)CCNC(=O)N1c2ccccc2C[C@@H]1c1nc(C(C)C)no1 ZINC000581781105 1059981621 /nfs/dbraw/zinc/98/16/21/1059981621.db2.gz DZBAEFCUJODTTJ-MRXNPFEDSA-N 0 0 342.443 4.053 50 0 EIAARN O=C(Nc1ccccc1)N1CC[C@H](CCOc2ccccc2F)C1 ZINC000581788131 1059994023 /nfs/dbraw/zinc/99/40/23/1059994023.db2.gz AOMGSAABVQJEFD-OAHLLOKOSA-N 0 0 328.387 4.149 50 0 EIAARN O=C(CCc1ccccc1)N1CC[C@@H](CCOc2ccc(F)cc2)C1 ZINC000581788878 1060005055 /nfs/dbraw/zinc/00/50/55/1060005055.db2.gz YTXOHAVILPDAKP-SFHVURJKSA-N 0 0 341.426 4.076 50 0 EIAARN Cc1cccc(NC(=O)N2CCCCC[C@H]2c2nc(C3CC3)no2)c1 ZINC000581789589 1060009362 /nfs/dbraw/zinc/00/93/62/1060009362.db2.gz YOHAPWHDODFWLT-INIZCTEOSA-N 0 0 340.427 4.405 50 0 EIAARN Cc1cnc(-c2ccccc2)n1[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581808504 1060023500 /nfs/dbraw/zinc/02/35/00/1060023500.db2.gz XCSXYBOUHKSIBP-FQEVSTJZSA-N 0 0 345.446 4.254 50 0 EIAARN O=S(=O)(Cc1ncc(-c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000050140061 214046390 /nfs/dbraw/zinc/04/63/90/214046390.db2.gz PZWRPZFAEMMPAV-UHFFFAOYSA-N 0 0 347.823 4.110 50 0 EIAARN COc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000004744408 210267855 /nfs/dbraw/zinc/26/78/55/210267855.db2.gz VOGXXEJFUJNQMZ-UHFFFAOYSA-N 0 0 343.452 4.223 50 0 EIAARN O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NC3CCCC3)ncc21 ZINC000004741296 210266185 /nfs/dbraw/zinc/26/61/85/210266185.db2.gz NKUZPBUFQXYRIH-LBPRGKRZSA-N 0 0 341.842 4.397 50 0 EIAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1C ZINC000004741600 210265471 /nfs/dbraw/zinc/26/54/71/210265471.db2.gz GQEHPCAIWUNTFY-LJQANCHMSA-N 0 0 347.418 4.197 50 0 EIAARN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NC1CC1 ZINC000004742931 210265089 /nfs/dbraw/zinc/26/50/89/210265089.db2.gz OMJWDZRKKNVISN-UHFFFAOYSA-N 0 0 325.452 4.055 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C)n[nH]2)cc1 ZINC000051315532 214086981 /nfs/dbraw/zinc/08/69/81/214086981.db2.gz UCMPFLKFECQOFL-AWEZNQCLSA-N 0 0 347.418 4.067 50 0 EIAARN Cc1cccnc1C[C@@H](C)NC(=O)Nc1ccc(OC(F)F)cc1C ZINC000097641873 219043707 /nfs/dbraw/zinc/04/37/07/219043707.db2.gz TYHRTXSNQOZCLR-CYBMUJFWSA-N 0 0 349.381 4.053 50 0 EIAARN CCCn1ccc2cc(NC(=O)c3cnc4ccccc4c3O)ccc21 ZINC000051421078 214093861 /nfs/dbraw/zinc/09/38/61/214093861.db2.gz XWOSSPYGDQAABJ-UHFFFAOYSA-N 0 0 345.402 4.145 50 0 EIAARN C[C@]12CCCC(=O)N1CCc1c3ccccc3n(Cc3ccccc3)c12 ZINC000051943497 214109287 /nfs/dbraw/zinc/10/92/87/214109287.db2.gz JVSJJJJSMLYLDV-HSZRJFAPSA-N 0 0 344.458 4.473 50 0 EIAARN CC(C)N(Cc1ccccn1)Cc1cc(Cl)cc2c1OCOC2 ZINC000052217938 214122497 /nfs/dbraw/zinc/12/24/97/214122497.db2.gz GUBWNJRZMLATQZ-UHFFFAOYSA-N 0 0 332.831 4.012 50 0 EIAARN CC[C@@H](C)Sc1nnc(NC(=O)CSc2ccccc2)s1 ZINC000004731662 210262252 /nfs/dbraw/zinc/26/22/52/210262252.db2.gz ASOLDDZRFSLQEC-SNVBAGLBSA-N 0 0 339.511 4.160 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)cc1 ZINC000052897581 214153910 /nfs/dbraw/zinc/15/39/10/214153910.db2.gz NJKPMEUFVYNUQR-SFHVURJKSA-N 0 0 347.817 4.394 50 0 EIAARN O=c1oc(-c2ccco2)nn1Cc1sc2ccccc2c1Cl ZINC000053400543 214181139 /nfs/dbraw/zinc/18/11/39/214181139.db2.gz KXAAVVXCGVRPQC-UHFFFAOYSA-N 0 0 332.768 4.013 50 0 EIAARN Cc1nc2c(cnn2C)c(Oc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000054041690 214212367 /nfs/dbraw/zinc/21/23/67/214212367.db2.gz BPEYUWAXFCMWIY-UHFFFAOYSA-N 0 0 343.601 4.424 50 0 EIAARN O=C(CCc1ccc2ccccc2c1)NC[C@H]1COc2ccccc2C1 ZINC000054131315 214218093 /nfs/dbraw/zinc/21/80/93/214218093.db2.gz YMKCSZHGPJSVIV-SFHVURJKSA-N 0 0 345.442 4.140 50 0 EIAARN Cc1csc(CCCNC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000062639958 214725942 /nfs/dbraw/zinc/72/59/42/214725942.db2.gz WEMHEDWDXHBCRG-UHFFFAOYSA-N 0 0 343.374 4.225 50 0 EIAARN CCOC(=O)N(C)c1ccc(NC(=O)c2cccc3cccnc32)cc1 ZINC000054312963 214230788 /nfs/dbraw/zinc/23/07/88/214230788.db2.gz ICWADOHEKZMTEA-UHFFFAOYSA-N 0 0 349.390 4.080 50 0 EIAARN CC[C@H](C)c1ccccc1OCC(=O)N(Cc1cccnc1)C1CC1 ZINC000054687238 214251356 /nfs/dbraw/zinc/25/13/56/214251356.db2.gz KROPMNIZSUQADI-INIZCTEOSA-N 0 0 338.451 4.165 50 0 EIAARN COCCN(Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccccc1F ZINC000055053044 214267944 /nfs/dbraw/zinc/26/79/44/214267944.db2.gz LXKQEYJJDQDSTP-UHFFFAOYSA-N 0 0 347.478 4.043 50 0 EIAARN COc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000004696112 210250304 /nfs/dbraw/zinc/25/03/04/210250304.db2.gz DNZJRRFOZYFMCH-UHFFFAOYSA-N 0 0 347.842 4.132 50 0 EIAARN CCCC[C@H]1C=CCN1C(=O)Nc1cc(NC(=O)CC)ccc1F ZINC000097743479 219053985 /nfs/dbraw/zinc/05/39/85/219053985.db2.gz BUVJQACLODSKPX-AWEZNQCLSA-N 0 0 333.407 4.137 50 0 EIAARN c1csc(CN(Cc2ccccc2)Cc2cccc3c2OCO3)n1 ZINC000055154998 214279906 /nfs/dbraw/zinc/27/99/06/214279906.db2.gz RQIPXUIKYPKJBA-UHFFFAOYSA-N 0 0 338.432 4.074 50 0 EIAARN CC(C)(C)OC(=O)N1CC(Sc2ccccc2Br)C1 ZINC000097756680 219054382 /nfs/dbraw/zinc/05/43/82/219054382.db2.gz FZTQQNARWMJJFH-UHFFFAOYSA-N 0 0 344.274 4.161 50 0 EIAARN COC(=O)c1ccccc1-c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000097757374 219054472 /nfs/dbraw/zinc/05/44/72/219054472.db2.gz OANRAUGBMCWBQZ-UHFFFAOYSA-N 0 0 327.380 4.487 50 0 EIAARN O=C(c1c[nH]c2ccc(Br)cc12)C(Cl)(Cl)Cl ZINC000097756644 219054495 /nfs/dbraw/zinc/05/44/95/219054495.db2.gz ZYGJNIUTYDBJIA-UHFFFAOYSA-N 0 0 341.419 4.483 50 0 EIAARN C[C@@H](c1cccnc1)N(C)C(=O)CCSCc1ccc(F)cc1 ZINC000055168006 214282516 /nfs/dbraw/zinc/28/25/16/214282516.db2.gz GWXFVTCZELHZNL-AWEZNQCLSA-N 0 0 332.444 4.064 50 0 EIAARN CCc1c(C)scc1C(=O)N(Cc1cccs1)[C@@H](CC)CO ZINC000055252529 214295078 /nfs/dbraw/zinc/29/50/78/214295078.db2.gz HTMFRJFDVKDKFH-ZDUSSCGKSA-N 0 0 337.510 4.094 50 0 EIAARN O=C(c1cccc(Cl)n1)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000055307541 214303980 /nfs/dbraw/zinc/30/39/80/214303980.db2.gz DQLSXZSKRMIUHE-OAHLLOKOSA-N 0 0 344.842 4.068 50 0 EIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CN1[C@H](C)c1ccccc1 ZINC000055345590 214310386 /nfs/dbraw/zinc/31/03/86/214310386.db2.gz BLLGOPLLCDRJQD-NIPOPRQDSA-N 0 0 329.484 4.436 50 0 EIAARN CN(Cc1ccccn1)C(=O)C[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000055414531 214322644 /nfs/dbraw/zinc/32/26/44/214322644.db2.gz NNNXLOWFRPGTRP-NRFANRHFSA-N 0 0 348.421 4.401 50 0 EIAARN O=C(c1cccc2cccnc21)N1CCC(COc2ccccc2)CC1 ZINC000055424505 214323098 /nfs/dbraw/zinc/32/30/98/214323098.db2.gz BJQRVFBUUJYQBM-UHFFFAOYSA-N 0 0 346.430 4.166 50 0 EIAARN Cc1nc2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2nc1C ZINC000055540911 214328764 /nfs/dbraw/zinc/32/87/64/214328764.db2.gz VSYWOCDAYOGRAN-FQEVSTJZSA-N 0 0 349.409 4.363 50 0 EIAARN CC(=O)c1cc(CC(=O)N2CCC[C@@H]2c2ccccc2C)cs1 ZINC000097775670 219056817 /nfs/dbraw/zinc/05/68/17/219056817.db2.gz BUMGYNXEJRWRKC-QGZVFWFLSA-N 0 0 327.449 4.165 50 0 EIAARN Cc1ccc(C)c(N(C)C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c1 ZINC000055895922 214346454 /nfs/dbraw/zinc/34/64/54/214346454.db2.gz RLNRLXZQUPGDEN-QAPCUYQASA-N 0 0 336.435 4.175 50 0 EIAARN CC(C)N(Cc1cnn(C)c1)Cc1c(Cl)ccc2cccnc21 ZINC000055919145 214348492 /nfs/dbraw/zinc/34/84/92/214348492.db2.gz OBWJAOYPJCJYOM-UHFFFAOYSA-N 0 0 328.847 4.032 50 0 EIAARN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cccs1 ZINC000055753026 214340080 /nfs/dbraw/zinc/34/00/80/214340080.db2.gz ZLCWBHDDIPVDGH-UHFFFAOYSA-N 0 0 342.464 4.181 50 0 EIAARN CC(C)C[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cccs1 ZINC000056134325 214361259 /nfs/dbraw/zinc/36/12/59/214361259.db2.gz IZHLEPXDJPEJRM-OAHLLOKOSA-N 0 0 340.448 4.107 50 0 EIAARN Cc1nc(S[C@H](C)c2ccc3ccccc3c2)sc1CC(N)=O ZINC000056282391 214368248 /nfs/dbraw/zinc/36/82/48/214368248.db2.gz NQVHLXSKOSRCJC-GFCCVEGCSA-N 0 0 342.489 4.486 50 0 EIAARN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(F)cc1 ZINC000056348393 214371880 /nfs/dbraw/zinc/37/18/80/214371880.db2.gz BGDMVLNQRLQBTR-INIZCTEOSA-N 0 0 329.371 4.026 50 0 EIAARN CCN(C(=O)Nc1nnc(C)s1)[C@@H](C)c1cc2ccccc2o1 ZINC000056514207 214378031 /nfs/dbraw/zinc/37/80/31/214378031.db2.gz OFXZJQKPGJTOEV-JTQLQIEISA-N 0 0 330.413 4.208 50 0 EIAARN CN(Cc1ccc(O)cc1)C(=O)c1cccnc1SC1CCCC1 ZINC000056541991 214379027 /nfs/dbraw/zinc/37/90/27/214379027.db2.gz ANUCLWGAQXIEDO-UHFFFAOYSA-N 0 0 342.464 4.094 50 0 EIAARN Cc1[nH]c(=S)sc1CC(=O)N(C)Cc1csc2ccccc12 ZINC000056678682 214383974 /nfs/dbraw/zinc/38/39/74/214383974.db2.gz XAVZRXGUQRJVMG-UHFFFAOYSA-N 0 0 348.518 4.156 50 0 EIAARN CCSc1ccccc1C(=O)Nc1nnc(-c2cc(C)oc2C)o1 ZINC000056907248 214394269 /nfs/dbraw/zinc/39/42/69/214394269.db2.gz OZOCBUHMMHMKPX-UHFFFAOYSA-N 0 0 343.408 4.311 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)c3ccc(NC4CC4)nc3)c2)oc1C ZINC000057235672 214412082 /nfs/dbraw/zinc/41/20/82/214412082.db2.gz PURCBFMMSBNVBI-UHFFFAOYSA-N 0 0 348.406 4.180 50 0 EIAARN CC[C@H](NC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1)c1cccs1 ZINC000057243501 214413743 /nfs/dbraw/zinc/41/37/43/214413743.db2.gz FPUFRAGFUGONBD-LRDDRELGSA-N 0 0 345.468 4.218 50 0 EIAARN O=C(Nc1cc(F)ccc1F)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412294 214426094 /nfs/dbraw/zinc/42/60/94/214426094.db2.gz COCZVJIGSUXLHJ-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN CSc1ccc(CN(C)C(=O)CCC(=O)c2ccc(F)cc2)cc1 ZINC000058007567 214469559 /nfs/dbraw/zinc/46/95/59/214469559.db2.gz FLJXPBGTWQJAMN-UHFFFAOYSA-N 0 0 345.439 4.169 50 0 EIAARN O=C(NCCNc1ccc2ccccc2n1)Nc1ccc(Cl)cc1 ZINC000058006274 214469608 /nfs/dbraw/zinc/46/96/08/214469608.db2.gz UUXYZNIFHYXMSW-UHFFFAOYSA-N 0 0 340.814 4.122 50 0 EIAARN COc1ccc(C)nc1NC(=O)c1csc(-c2ccccc2C)n1 ZINC000174793219 231312609 /nfs/dbraw/zinc/31/26/09/231312609.db2.gz GKKYXMIXSYNHAI-UHFFFAOYSA-N 0 0 339.420 4.083 50 0 EIAARN COc1ccc(C)nc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000174807089 231315723 /nfs/dbraw/zinc/31/57/23/231315723.db2.gz HPUPQEBYEOGCAI-UHFFFAOYSA-N 0 0 326.327 4.050 50 0 EIAARN Cc1ccccc1Cc1nnc2sc(/C=C/c3ccccc3)nn12 ZINC000004667656 210241152 /nfs/dbraw/zinc/24/11/52/210241152.db2.gz MRXIOVVTVOUZEO-VAWYXSNFSA-N 0 0 332.432 4.255 50 0 EIAARN O=C(N[C@@H]1CCOc2ccccc21)c1[nH]c2ccccc2c1Cl ZINC000058159456 214486501 /nfs/dbraw/zinc/48/65/01/214486501.db2.gz VSFPVGRGURIBMS-CQSZACIVSA-N 0 0 326.783 4.075 50 0 EIAARN CCCC[C@@H](CC)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004659136 210240185 /nfs/dbraw/zinc/24/01/85/210240185.db2.gz VVYGRXJWHDHGLU-LLVKDONJSA-N 0 0 338.300 4.488 50 0 EIAARN C[C@H](OC(=O)C=Cc1cccc2cccnc12)C(=O)c1ccc(F)cc1 ZINC000098003346 219066980 /nfs/dbraw/zinc/06/69/80/219066980.db2.gz ZCUJSFIHFBQBFV-UQTJOTSZSA-N 0 0 349.361 4.202 50 0 EIAARN CCCSc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[nH]1 ZINC000004649948 210236595 /nfs/dbraw/zinc/23/65/95/210236595.db2.gz DIFSQELAPVEVNK-UHFFFAOYSA-N 0 0 332.450 4.162 50 0 EIAARN CCc1ccc(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000132340172 529621001 /nfs/dbraw/zinc/62/10/01/529621001.db2.gz WGJXCUWXBKPUIJ-UHFFFAOYSA-N 0 0 333.435 4.233 50 0 EIAARN Cc1ccc2cc(C(=O)NC[C@@H](C)N(C)c3ccccc3)c(C)nc2c1 ZINC000058380607 214567424 /nfs/dbraw/zinc/56/74/24/214567424.db2.gz DWAKSQFKYPWAQN-MRXNPFEDSA-N 0 0 347.462 4.106 50 0 EIAARN O[C@H](COc1ccc(-c2ccccc2)cc1)Cn1cnc2ccccc21 ZINC000004623982 210233786 /nfs/dbraw/zinc/23/37/86/210233786.db2.gz FVNVSVXMBNUQRQ-IBGZPJMESA-N 0 0 344.414 4.143 50 0 EIAARN O=C1NC(=O)/C(=C\c2cc(-c3ccccc3)cs2)c2ccccc21 ZINC000098055003 219074372 /nfs/dbraw/zinc/07/43/72/219074372.db2.gz WGVCRQZUENSZKM-WQRHYEAKSA-N 0 0 331.396 4.226 50 0 EIAARN CC(=CC(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000098055188 219075043 /nfs/dbraw/zinc/07/50/43/219075043.db2.gz BFNDHCGMLHQIAG-OKFGHLOFSA-N 0 0 333.387 4.386 50 0 EIAARN Cc1cccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)c1 ZINC000004590386 210229206 /nfs/dbraw/zinc/22/92/06/210229206.db2.gz JXFBZOWLAKRBPP-GDNBJRDFSA-N 0 0 331.293 4.358 50 0 EIAARN Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@@H]3C2=O)c(C)c1 ZINC000004593250 210228980 /nfs/dbraw/zinc/22/89/80/210228980.db2.gz CWSOSCYIFYAMMI-QEUPLWARSA-N 0 0 345.442 4.233 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2Cl)o1 ZINC000049548103 214017945 /nfs/dbraw/zinc/01/79/45/214017945.db2.gz UZVYPWLUGNKPRV-LLVKDONJSA-N 0 0 327.771 4.457 50 0 EIAARN O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(Cl)c1Cl ZINC000004588832 210227389 /nfs/dbraw/zinc/22/73/89/210227389.db2.gz HFZVUTLYPKZAFB-JYRVWZFOSA-N 0 0 336.149 4.477 50 0 EIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1cc2c(c(Cl)c1)OCO2 ZINC000049546895 214016969 /nfs/dbraw/zinc/01/69/69/214016969.db2.gz VYOVAMFSGMLHAN-SNVBAGLBSA-N 0 0 347.802 4.144 50 0 EIAARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccsc1)SCC(=O)N2 ZINC000049545106 214016386 /nfs/dbraw/zinc/01/63/86/214016386.db2.gz KUFCURUBYWKYLB-OAHLLOKOSA-N 0 0 342.449 4.061 50 0 EIAARN COc1ccccc1[C@H]1CC(=O)Nc2c1cnn2Cc1ccccc1 ZINC000049546954 214016550 /nfs/dbraw/zinc/01/65/50/214016550.db2.gz KVWYQQULIGCKPG-MRXNPFEDSA-N 0 0 333.391 4.064 50 0 EIAARN O=[S@](CCSc1nnc(C2CCCCC2)o1)c1ccccc1 ZINC000060709991 214647045 /nfs/dbraw/zinc/64/70/45/214647045.db2.gz FJOYQGWROJXZOR-QFIPXVFZSA-N 0 0 336.482 4.017 50 0 EIAARN Cc1ccc(-c2nc(CCNC(=O)/C=C/c3ccccc3)cs2)cc1 ZINC000004570785 210223153 /nfs/dbraw/zinc/22/31/53/210223153.db2.gz NEUDVEATIAYTGE-FMIVXFBMSA-N 0 0 348.471 4.491 50 0 EIAARN CC(C)CNc1nc(C(=O)N2CCC(c3ccccc3)CC2)cs1 ZINC000061721612 214676640 /nfs/dbraw/zinc/67/66/40/214676640.db2.gz RVYZCKSROOLMLY-UHFFFAOYSA-N 0 0 343.496 4.231 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2[nH]c(=O)ccc21 ZINC000098181761 219087551 /nfs/dbraw/zinc/08/75/51/219087551.db2.gz JQLNDNLAOFHEQQ-UHFFFAOYSA-N 0 0 332.281 4.212 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1cccc2cccnc21 ZINC000004539346 210215876 /nfs/dbraw/zinc/21/58/76/210215876.db2.gz ADUYJLHRGZYFOW-UHFFFAOYSA-N 0 0 328.371 4.406 50 0 EIAARN CC(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000004529853 210214613 /nfs/dbraw/zinc/21/46/13/210214613.db2.gz AAUHUNSRJCWRNE-VIFPVBQESA-N 0 0 333.067 4.265 50 0 EIAARN Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccco1 ZINC000004512013 210210461 /nfs/dbraw/zinc/21/04/61/210210461.db2.gz JDMNVBDMGZBIBS-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN c1coc(-c2nnc3sc(COc4ccc5ccccc5c4)nn32)c1 ZINC000004511813 210210425 /nfs/dbraw/zinc/21/04/25/210210425.db2.gz MZGSEFQKHAWTOF-UHFFFAOYSA-N 0 0 348.387 4.178 50 0 EIAARN C[C@@H]1CCc2nc(NC(=O)CSc3ccc(F)cc3)sc2C1 ZINC000004496710 210203609 /nfs/dbraw/zinc/20/36/09/210203609.db2.gz OTRSMFSRBVPDNM-SNVBAGLBSA-N 0 0 336.457 4.138 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1nc2c(cccc2F)s1 ZINC000004496792 210203739 /nfs/dbraw/zinc/20/37/39/210203739.db2.gz PZIIDNVXKDHLNI-UHFFFAOYSA-N 0 0 336.388 4.305 50 0 EIAARN CC(C)c1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn21 ZINC000004487501 210201363 /nfs/dbraw/zinc/20/13/63/210201363.db2.gz MPIATUGRDCNLJS-UHFFFAOYSA-N 0 0 330.457 4.186 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000004484554 210200422 /nfs/dbraw/zinc/20/04/22/210200422.db2.gz XIGNNWLLWSFDNI-UHFFFAOYSA-N 0 0 347.390 4.065 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000004484937 210199768 /nfs/dbraw/zinc/19/97/68/210199768.db2.gz IQKBAQYTPYKTKN-CMPLNLGQSA-N 0 0 337.876 4.003 50 0 EIAARN CSc1nc2sc3c(c2c(=N)n1Cc1ccccc1)CCCC3 ZINC000100684709 219104044 /nfs/dbraw/zinc/10/40/44/219104044.db2.gz HJDIQOIJSYDEGW-UHFFFAOYSA-N 0 0 341.505 4.226 50 0 EIAARN Fc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100819377 219107726 /nfs/dbraw/zinc/10/77/26/219107726.db2.gz ODAYXBPFOWIGTE-MRXNPFEDSA-N 0 0 326.762 4.127 50 0 EIAARN Cc1cccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)c1 ZINC000100844363 219108813 /nfs/dbraw/zinc/10/88/13/219108813.db2.gz VYDHQDQQFYVOEE-QZQOTICOSA-N 0 0 332.428 4.443 50 0 EIAARN Cc1ccc(-c2nc(COC(=O)c3cn4ccccc4n3)cs2)cc1 ZINC000004407732 210188488 /nfs/dbraw/zinc/18/84/88/210188488.db2.gz AISUGKYVFGNCGR-UHFFFAOYSA-N 0 0 349.415 4.123 50 0 EIAARN C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccc(F)cc1 ZINC000004393789 210186918 /nfs/dbraw/zinc/18/69/18/210186918.db2.gz JPUSHEKTPNKYBC-ZDUSSCGKSA-N 0 0 339.366 4.054 50 0 EIAARN CCc1nc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cs1 ZINC000064677479 214801063 /nfs/dbraw/zinc/80/10/63/214801063.db2.gz SRFKDVOAHYAXMA-UHFFFAOYSA-N 0 0 340.423 4.442 50 0 EIAARN O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000004388490 210186448 /nfs/dbraw/zinc/18/64/48/210186448.db2.gz GYXYSDLSMHXYGV-USTZCAOPSA-N 0 0 341.838 4.356 50 0 EIAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)NCc2ccco2)cc1 ZINC000064758057 214802444 /nfs/dbraw/zinc/80/24/44/214802444.db2.gz KZIUIRMYRSHPTM-UHFFFAOYSA-N 0 0 346.390 4.224 50 0 EIAARN Cc1ccccc1C[C@@H]1c2cc(Br)ccc2N(C)C1=O ZINC000101014366 219113471 /nfs/dbraw/zinc/11/34/71/219113471.db2.gz PPEQVKDLVZQQBZ-OAHLLOKOSA-N 0 0 330.225 4.060 50 0 EIAARN O=C(CCC1CCCCC1)Nc1ccc(-c2ccc3nncn3n2)cc1 ZINC000004377137 210183599 /nfs/dbraw/zinc/18/35/99/210183599.db2.gz YYLSXYZFBGBDFY-UHFFFAOYSA-N 0 0 349.438 4.090 50 0 EIAARN CCCCNc1nc2c(cnn2C)c(Nc2ccc(C)c(Cl)c2)n1 ZINC000004374882 210183547 /nfs/dbraw/zinc/18/35/47/210183547.db2.gz QJTFNBPCUDLPCZ-UHFFFAOYSA-N 0 0 344.850 4.281 50 0 EIAARN O=C(Cc1nc2ccccc2oc1=O)c1ccc(Br)cc1 ZINC000101062599 219115206 /nfs/dbraw/zinc/11/52/06/219115206.db2.gz AXBWKAORGRMYJD-ZROIWOOFSA-N 0 0 344.164 4.007 50 0 EIAARN Cc1nnc(SCc2ccc(F)cc2F)n1-c1ccccc1C ZINC000004358698 210178932 /nfs/dbraw/zinc/17/89/32/210178932.db2.gz YSJKDHQZEJVMMR-UHFFFAOYSA-N 0 0 331.391 4.455 50 0 EIAARN COc1cc(NC(=O)c2ccc3nc(C(C)C)oc3c2)cc(OC)c1 ZINC000064968245 214816836 /nfs/dbraw/zinc/81/68/36/214816836.db2.gz JSQSGNVMDQCGJM-UHFFFAOYSA-N 0 0 340.379 4.221 50 0 EIAARN Fc1cccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)c1 ZINC000004356569 210178436 /nfs/dbraw/zinc/17/84/36/210178436.db2.gz STCCDCUMFNHFPQ-UHFFFAOYSA-N 0 0 340.379 4.304 50 0 EIAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000065084341 214826514 /nfs/dbraw/zinc/82/65/14/214826514.db2.gz IMLVVIVUPMMGQE-UHFFFAOYSA-N 0 0 346.430 4.283 50 0 EIAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)c(F)c1 ZINC000065114175 214828826 /nfs/dbraw/zinc/82/88/26/214828826.db2.gz WWQVRYWSKLCCDW-UHFFFAOYSA-N 0 0 345.761 4.261 50 0 EIAARN COc1cc(NCc2c(C)nn(-c3ccccc3)c2C)cc(OC)c1 ZINC000065154907 214834731 /nfs/dbraw/zinc/83/47/31/214834731.db2.gz VGCSMQWKRSOILY-UHFFFAOYSA-N 0 0 337.423 4.118 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)Nc1cccc(C(F)(F)F)c1 ZINC000004333972 210173633 /nfs/dbraw/zinc/17/36/33/210173633.db2.gz ZSZWIHCVVXIZJK-UHFFFAOYSA-N 0 0 328.319 4.078 50 0 EIAARN COc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)c(C)c1 ZINC000065137270 214831025 /nfs/dbraw/zinc/83/10/25/214831025.db2.gz IXRHIJFNOQORNF-UHFFFAOYSA-N 0 0 346.390 4.121 50 0 EIAARN C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)c1c[nH]c2ccccc21 ZINC000004332187 210172949 /nfs/dbraw/zinc/17/29/49/210172949.db2.gz UZFNOCXXEHGEBI-GFCCVEGCSA-N 0 0 333.343 4.342 50 0 EIAARN O=C(c1cccs1)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135327 214831626 /nfs/dbraw/zinc/83/16/26/214831626.db2.gz KYMGNCHWHYTXLD-MRXNPFEDSA-N 0 0 349.459 4.225 50 0 EIAARN Cc1cc(C)cc(C(=O)NCCc2cn(CC(C)C)c3ncccc23)c1 ZINC000065163958 214835863 /nfs/dbraw/zinc/83/58/63/214835863.db2.gz DCRCGTMQGGPEQH-UHFFFAOYSA-N 0 0 349.478 4.282 50 0 EIAARN CCCn1cc([C@@H]2CC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000101466748 219128539 /nfs/dbraw/zinc/12/85/39/219128539.db2.gz RPJKGGXEKHUVJB-KRWDZBQOSA-N 0 0 332.403 4.098 50 0 EIAARN C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(-c3ccccc3)cc1)C2=O ZINC000004308989 210166529 /nfs/dbraw/zinc/16/65/29/210166529.db2.gz MKTASFILKHBQTM-KSFYIVLOSA-N 0 0 348.446 4.354 50 0 EIAARN C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(-c3ccccc3)cc1)C2=O ZINC000004308988 210166324 /nfs/dbraw/zinc/16/63/24/210166324.db2.gz MKTASFILKHBQTM-OPAMFIHVSA-N 0 0 348.446 4.354 50 0 EIAARN CSc1ccccc1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000004303499 210164634 /nfs/dbraw/zinc/16/46/34/210164634.db2.gz OTRMOYIYUIZSTR-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN Cc1cc(C(=O)Nc2ccccc2)nc2cc(-c3cccs3)nn21 ZINC000065246136 214852350 /nfs/dbraw/zinc/85/23/50/214852350.db2.gz LSDVJAANHDIQKJ-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)c1ccc(F)cc1 ZINC000004287950 210162733 /nfs/dbraw/zinc/16/27/33/210162733.db2.gz OANQECHFCVYUED-JTQLQIEISA-N 0 0 348.834 4.305 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2cnc(-c3ccccc3)nc2)c(C)c1 ZINC000048303480 213916494 /nfs/dbraw/zinc/91/64/94/213916494.db2.gz GLKJFAUTNUJINA-UHFFFAOYSA-N 0 0 331.419 4.033 50 0 EIAARN Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(F)cc2)S3)c1 ZINC000004268639 210156632 /nfs/dbraw/zinc/15/66/32/210156632.db2.gz DZQLJDXJNHVBBG-HNNXBMFYSA-N 0 0 339.395 4.270 50 0 EIAARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000065322198 214871256 /nfs/dbraw/zinc/87/12/56/214871256.db2.gz CXEJGFHWFQFLNO-UHFFFAOYSA-N 0 0 342.487 4.027 50 0 EIAARN O=C1C[C@H](c2ccc(Cl)cc2)c2cnn(-c3ccc(F)cc3)c2N1 ZINC000065331497 214871953 /nfs/dbraw/zinc/87/19/53/214871953.db2.gz NTZJRKJEJBTGPM-OAHLLOKOSA-N 0 0 341.773 4.139 50 0 EIAARN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc2ccccc2n1 ZINC000048265418 213907539 /nfs/dbraw/zinc/90/75/39/213907539.db2.gz QXKJCJFUDBNUGK-UHFFFAOYSA-N 0 0 348.299 4.323 50 0 EIAARN CN(C)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cn1 ZINC000048262650 213905795 /nfs/dbraw/zinc/90/57/95/213905795.db2.gz HCAFGTUAUSJKHS-QGZVFWFLSA-N 0 0 344.434 4.196 50 0 EIAARN CCOc1ccc(N[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OCC ZINC000048252615 213903589 /nfs/dbraw/zinc/90/35/89/213903589.db2.gz IEPCTAASJNVZPT-XHSDSOJGSA-N 0 0 348.487 4.074 50 0 EIAARN CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2cc(C)cc(F)c2)C1 ZINC000065373461 214879309 /nfs/dbraw/zinc/87/93/09/214879309.db2.gz RRDYJMAHQBOSQV-HKBOAZHASA-N 0 0 341.426 4.102 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc(Cl)ccc1F ZINC000048202215 213895237 /nfs/dbraw/zinc/89/52/37/213895237.db2.gz SGBVVFNTFGJOPG-UHFFFAOYSA-N 0 0 343.745 4.314 50 0 EIAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC(C)C ZINC000065403072 214893917 /nfs/dbraw/zinc/89/39/17/214893917.db2.gz QUPFJJCNSWPTCO-UHFFFAOYSA-N 0 0 328.359 4.276 50 0 EIAARN Cc1c(-c2cccc(NC(=O)c3cccc(F)c3)c2)nc2ncccn12 ZINC000004225221 210147105 /nfs/dbraw/zinc/14/71/05/210147105.db2.gz KBFCJHVOWAMXIZ-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN Cc1nc2ccccc2c(SCc2nnc(-c3ccccc3)o2)n1 ZINC000004221339 210146320 /nfs/dbraw/zinc/14/63/20/210146320.db2.gz DLEFEXZLKTWVRM-UHFFFAOYSA-N 0 0 334.404 4.281 50 0 EIAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccn2)c1 ZINC000004178225 210140512 /nfs/dbraw/zinc/14/05/12/210140512.db2.gz YBGRPIVTZVJOEF-LPHOPBHVSA-N 0 0 333.416 4.385 50 0 EIAARN COc1ccc(-c2nnc3ccc(SCc4ccccc4)nn32)cc1 ZINC000004164991 210136404 /nfs/dbraw/zinc/13/64/04/210136404.db2.gz YQZQZWAPNRTPIQ-UHFFFAOYSA-N 0 0 348.431 4.092 50 0 EIAARN O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000004166960 210136428 /nfs/dbraw/zinc/13/64/28/210136428.db2.gz WSIJDZDBONGNHQ-UHFFFAOYSA-N 0 0 342.851 4.436 50 0 EIAARN CCc1ccc(N(CC)C(=O)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000004163810 210136478 /nfs/dbraw/zinc/13/64/78/210136478.db2.gz QGTDLUYZPWFTNK-UHFFFAOYSA-N 0 0 334.419 4.275 50 0 EIAARN CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)OC)cc2oc1=O ZINC000004151892 210133906 /nfs/dbraw/zinc/13/39/06/210133906.db2.gz WNTZREHBSYHJTF-AWEZNQCLSA-N 0 0 346.423 4.165 50 0 EIAARN CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2c(Cl)cncc2Cl)C1 ZINC000065506719 214938047 /nfs/dbraw/zinc/93/80/47/214938047.db2.gz FSNKLNBJLDBAFB-XUJVJEKNSA-N 0 0 345.270 4.159 50 0 EIAARN O=C(NCc1cc(-c2ccccc2)no1)C1CCC(n2cccc2)CC1 ZINC000065515254 214940278 /nfs/dbraw/zinc/94/02/78/214940278.db2.gz JMZDGSDCBBZNKQ-UHFFFAOYSA-N 0 0 349.434 4.191 50 0 EIAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cnsn1 ZINC000047412695 213847770 /nfs/dbraw/zinc/84/77/70/213847770.db2.gz CZLCLEPMPCLPCI-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN N=C1c2ccccc2CN1c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000004137213 210129883 /nfs/dbraw/zinc/12/98/83/210129883.db2.gz YAJOVMHVQDVXIT-UHFFFAOYSA-N 0 0 343.434 4.017 50 0 EIAARN Cn1c(SCc2ccccc2F)nnc1-c1c[nH]c2ccccc12 ZINC000004138467 210129692 /nfs/dbraw/zinc/12/96/92/210129692.db2.gz MKECDNNCRQTUJK-UHFFFAOYSA-N 0 0 338.411 4.395 50 0 EIAARN Cc1ccccc1C(=O)N1CCN=C1SCc1ccc(Cl)cc1 ZINC000004120055 210125362 /nfs/dbraw/zinc/12/53/62/210125362.db2.gz YYLUHUJMQZOGLF-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN COc1cc(/C=C/c2ccc3cccc(O)c3n2)c(Cl)cc1O ZINC000004123971 210125956 /nfs/dbraw/zinc/12/59/56/210125956.db2.gz CTUDGWOENTVUBX-SOFGYWHQSA-N 0 0 327.767 4.478 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCN=C1SCc1ccc(Cl)cc1 ZINC000004120072 210124462 /nfs/dbraw/zinc/12/44/62/210124462.db2.gz RYHRZSWZDZCCOE-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN Cc1ccc(CSC2=NCCN2C(=O)c2ccc(F)c(F)c2)cc1 ZINC000004120383 210124609 /nfs/dbraw/zinc/12/46/09/210124609.db2.gz MXBAJGXIQQGTBG-UHFFFAOYSA-N 0 0 346.402 4.018 50 0 EIAARN COC(=O)c1scc(C)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000004104941 210120162 /nfs/dbraw/zinc/12/01/62/210120162.db2.gz WKIDSJQWAYSRFG-UHFFFAOYSA-N 0 0 344.219 4.402 50 0 EIAARN C[C@@H]1CC[C@H](OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)C[C@@H]1C ZINC000004099876 210118838 /nfs/dbraw/zinc/11/88/38/210118838.db2.gz HSYKUCUHSYQGQW-VGMNWLOBSA-N 0 0 335.288 4.421 50 0 EIAARN C[C@H]1CCc2nc(NC(=O)c3ccc4ncsc4c3)sc2C1 ZINC000004088359 210118159 /nfs/dbraw/zinc/11/81/59/210118159.db2.gz GGLDFNZNKQNMCL-VIFPVBQESA-N 0 0 329.450 4.130 50 0 EIAARN C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O ZINC000004083909 210116855 /nfs/dbraw/zinc/11/68/55/210116855.db2.gz USGKSIJYOHEDEV-TXTPUJOMSA-N 0 0 330.468 4.261 50 0 biogenic EIAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(F)c1 ZINC000004072137 210113472 /nfs/dbraw/zinc/11/34/72/210113472.db2.gz HVYXTELMOMQGSS-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN CCOc1ccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1 ZINC000004072109 210113022 /nfs/dbraw/zinc/11/30/22/210113022.db2.gz SLYHCXZJQUPIOQ-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)s1)c1c(F)cccc1Cl ZINC000004079001 210115139 /nfs/dbraw/zinc/11/51/39/210115139.db2.gz VYUDGEZCLSRGAN-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN CCOc1ccccc1NC(=O)CSc1cn(C)c2ccccc12 ZINC000004060506 210110833 /nfs/dbraw/zinc/11/08/33/210110833.db2.gz SFXZAEYYYDZKQW-UHFFFAOYSA-N 0 0 340.448 4.308 50 0 EIAARN CCn1c(SC)nnc1-c1cc2cc3ccccc3nc2s1 ZINC000004053802 210109160 /nfs/dbraw/zinc/10/91/60/210109160.db2.gz ORBRAJRNZLCQGY-UHFFFAOYSA-N 0 0 326.450 4.450 50 0 EIAARN O=C(N1CCc2[nH]c3ccccc3c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000004027716 210102697 /nfs/dbraw/zinc/10/26/97/210102697.db2.gz DYVFLSCDPKBDMP-UHFFFAOYSA-N 0 0 334.463 4.269 50 0 biogenic EIAARN O=C(CC1CCCCC1)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000004033000 210104605 /nfs/dbraw/zinc/10/46/05/210104605.db2.gz JQYYVZZZBIKEGD-UHFFFAOYSA-N 0 0 334.423 4.305 50 0 EIAARN O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Cl)cc1 ZINC000004033024 210104662 /nfs/dbraw/zinc/10/46/62/210104662.db2.gz NOGGAOJEBBYJGG-UHFFFAOYSA-N 0 0 348.793 4.302 50 0 EIAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000003958803 210095862 /nfs/dbraw/zinc/09/58/62/210095862.db2.gz UODXLHNBEJJSLU-FQEVSTJZSA-N 0 0 347.393 4.296 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)c1noc2c1CCc1ccccc1-2 ZINC000003909408 210091155 /nfs/dbraw/zinc/09/11/55/210091155.db2.gz WQEKOPHCVWOPPK-UHFFFAOYSA-N 0 0 338.794 4.024 50 0 EIAARN O=c1c2oc3ccccc3c2ncn1Cc1cccc(C(F)(F)F)c1 ZINC000003908586 210091305 /nfs/dbraw/zinc/09/13/05/210091305.db2.gz PZOYGWSEYPXBII-UHFFFAOYSA-N 0 0 344.292 4.210 50 0 EIAARN C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 ZINC000003907671 210091340 /nfs/dbraw/zinc/09/13/40/210091340.db2.gz DREHREGIKWPENN-LBPRGKRZSA-N 0 0 326.783 4.486 50 0 EIAARN CC[C@@H]1CCCCN1C(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000003906342 210090150 /nfs/dbraw/zinc/09/01/50/210090150.db2.gz LNVKFVBYCGSXQU-GFCCVEGCSA-N 0 0 341.432 4.412 50 0 EIAARN CC(=O)NCCSc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000003896062 210086849 /nfs/dbraw/zinc/08/68/49/210086849.db2.gz ZODWBVWZFCNLDY-UHFFFAOYSA-N 0 0 328.412 4.202 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000003881350 210083152 /nfs/dbraw/zinc/08/31/52/210083152.db2.gz OQHMNEGOKQMOFM-BPSSIEEOSA-N 0 0 332.484 4.242 50 0 biogenic,in-vitro EIAARN Cc1csc(C2=C(N)N([C@H](C)CCc3ccccc3)CC2=O)n1 ZINC000102243248 219191904 /nfs/dbraw/zinc/19/19/04/219191904.db2.gz JPFDXMBKWWRQMZ-CYBMUJFWSA-N 0 0 327.453 4.035 50 0 EIAARN Cc1cc2ncn(S(=O)(=O)c3cc(C(C)C)ccc3C)c2cc1C ZINC000003640380 210070609 /nfs/dbraw/zinc/07/06/09/210070609.db2.gz KDRJQFXPOIUXOH-UHFFFAOYSA-N 0 0 342.464 4.322 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000003611964 210066256 /nfs/dbraw/zinc/06/62/56/210066256.db2.gz XOTUJCVMNMYQBX-UHFFFAOYSA-N 0 0 335.762 4.089 50 0 EIAARN Cc1ccccc1OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003606912 210064126 /nfs/dbraw/zinc/06/41/26/210064126.db2.gz WVQWBQHKSAEQIC-UHFFFAOYSA-N 0 0 331.415 4.280 50 0 EIAARN COc1ccc(NC(=S)N2CC[C@H](c3ccc(C)cc3)C2)cc1 ZINC000003588581 210058825 /nfs/dbraw/zinc/05/88/25/210058825.db2.gz SCOIWXYHKHRONI-INIZCTEOSA-N 0 0 326.465 4.190 50 0 EIAARN O=C(COC(=O)c1c(F)cccc1Cl)c1c[nH]c2ccccc12 ZINC000003571309 210057202 /nfs/dbraw/zinc/05/72/02/210057202.db2.gz VBBJDQUFHRVTAT-UHFFFAOYSA-N 0 0 331.730 4.000 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000003565942 210056570 /nfs/dbraw/zinc/05/65/70/210056570.db2.gz RUNKPXZMYCWRDG-IBGZPJMESA-N 0 0 325.408 4.114 50 0 EIAARN C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1 ZINC000066592776 215057307 /nfs/dbraw/zinc/05/73/07/215057307.db2.gz RTPSOLPMBCBKDF-LBPRGKRZSA-N 0 0 334.341 4.009 50 0 EIAARN COc1ccc(Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1 ZINC000003591880 210060524 /nfs/dbraw/zinc/06/05/24/210060524.db2.gz AIBNOVRUEIARNG-UHFFFAOYSA-N 0 0 339.420 4.456 50 0 EIAARN CC(=O)c1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000003549980 210052278 /nfs/dbraw/zinc/05/22/78/210052278.db2.gz UEMYSVMOBGNVEU-CYBMUJFWSA-N 0 0 332.783 4.224 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cl ZINC000003548924 210051995 /nfs/dbraw/zinc/05/19/95/210051995.db2.gz SLDSEGNKAYTZJJ-KRWDZBQOSA-N 0 0 345.826 4.459 50 0 EIAARN COc1ccc(Br)c(C(=O)Oc2ccc(Cl)cc2)c1 ZINC000003550246 210051611 /nfs/dbraw/zinc/05/16/11/210051611.db2.gz QLPJHRFRQYUMIX-UHFFFAOYSA-N 0 0 341.588 4.330 50 0 EIAARN O=C(CCCOc1ccccc1)Nc1nc2ccc(F)cc2s1 ZINC000003560609 210054926 /nfs/dbraw/zinc/05/49/26/210054926.db2.gz BNOFHXBOSVISEA-UHFFFAOYSA-N 0 0 330.384 4.233 50 0 EIAARN CCOc1ccccc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000003472465 210047952 /nfs/dbraw/zinc/04/79/52/210047952.db2.gz OAKRWWSCKDMYRO-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccco3)C2)cc1 ZINC000102581945 219212722 /nfs/dbraw/zinc/21/27/22/219212722.db2.gz YCFGNBLDKQAEFH-AUUYWEPGSA-N 0 0 346.390 4.245 50 0 EIAARN C[C@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccccc2)C1 ZINC000102602575 219213037 /nfs/dbraw/zinc/21/30/37/219213037.db2.gz GXIMBOBVUBELFW-YMTOWFKASA-N 0 0 348.328 4.214 50 0 EIAARN Cc1ccc(C(=O)N2CCc3ccccc32)cc1NC(=O)c1ccco1 ZINC000003451593 210043146 /nfs/dbraw/zinc/04/31/46/210043146.db2.gz ZDCWHPRKVGFROG-UHFFFAOYSA-N 0 0 346.386 4.043 50 0 EIAARN COC(=O)c1ccc(CSc2nc(C)nc3sc(C)c(C)c32)o1 ZINC000003451218 210043036 /nfs/dbraw/zinc/04/30/36/210043036.db2.gz KACYIDRIFUHBGE-UHFFFAOYSA-N 0 0 348.449 4.288 50 0 EIAARN COc1cc(NC(=O)CCCc2c[nH]c3ccccc23)cc(OC)c1 ZINC000003451491 210042959 /nfs/dbraw/zinc/04/29/59/210042959.db2.gz TWOKGEBHKDJCKV-UHFFFAOYSA-N 0 0 338.407 4.147 50 0 EIAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)o2)cc1 ZINC000003452089 210044547 /nfs/dbraw/zinc/04/45/47/210044547.db2.gz KNBVAANRMVEANQ-UHFFFAOYSA-N 0 0 349.342 4.130 50 0 EIAARN O=C(NCCc1cccs1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044839351 213650465 /nfs/dbraw/zinc/65/04/65/213650465.db2.gz KAMVMFAGWFEBBZ-UHFFFAOYSA-N 0 0 347.443 4.264 50 0 EIAARN O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(-c2nnco2)cc1 ZINC000003428182 210038007 /nfs/dbraw/zinc/03/80/07/210038007.db2.gz MPZTWZUXXNGWGH-UHFFFAOYSA-N 0 0 349.173 4.192 50 0 EIAARN CSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102669092 219220015 /nfs/dbraw/zinc/22/00/15/219220015.db2.gz NCYLEMOPPZOIQQ-HNNXBMFYSA-N 0 0 340.452 4.308 50 0 EIAARN CCc1nnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 ZINC000003422389 210034231 /nfs/dbraw/zinc/03/42/31/210034231.db2.gz LETMHXPWTYADBV-UHFFFAOYSA-N 0 0 325.393 4.145 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)c2cccc(F)c2)cc1OCC ZINC000003430347 210037151 /nfs/dbraw/zinc/03/71/51/210037151.db2.gz XQCSTIYLYSSUKX-CYBMUJFWSA-N 0 0 331.387 4.114 50 0 EIAARN C/C=C/c1ccc(OCC(=O)Nc2cc(C)ccc2OC)c(OC)c1 ZINC000003404648 210029865 /nfs/dbraw/zinc/02/98/65/210029865.db2.gz MYMZXEDDXPJDMQ-AATRIKPKSA-N 0 0 341.407 4.063 50 0 EIAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1 ZINC000003407049 210029598 /nfs/dbraw/zinc/02/95/98/210029598.db2.gz SWDCHBBBSDSGJL-UHFFFAOYSA-N 0 0 331.240 4.001 50 0 EIAARN CSc1nc2n(n1)[C@@H](c1sccc1C)C1C(=O)C[C@H](C)CC1=N2 ZINC000102710901 219224280 /nfs/dbraw/zinc/22/42/80/219224280.db2.gz SITXGLJXAUQYLU-AMIZOPFISA-N 0 0 346.481 4.287 50 0 EIAARN Cc1csc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1 ZINC000003413671 210032813 /nfs/dbraw/zinc/03/28/13/210032813.db2.gz CMYCOXLVJXTDHG-UHFFFAOYSA-N 0 0 348.280 4.193 50 0 EIAARN Cc1csc(C2=C(N)N([C@H]3CCCc4ccccc43)CC2=O)n1 ZINC000102733595 219226587 /nfs/dbraw/zinc/22/65/87/219226587.db2.gz QZWISXZAABWFPZ-AWEZNQCLSA-N 0 0 325.437 4.091 50 0 EIAARN CCc1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 ZINC000003383691 210023669 /nfs/dbraw/zinc/02/36/69/210023669.db2.gz OOQLMKQWGGXPRW-ZDUSSCGKSA-N 0 0 342.460 4.475 50 0 EIAARN CC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000003382448 210023721 /nfs/dbraw/zinc/02/37/21/210023721.db2.gz ZNFNGFSLGYOPRF-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN Cc1csc(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000003376269 210021498 /nfs/dbraw/zinc/02/14/98/210021498.db2.gz GMEKEXGSMDCRRR-UHFFFAOYSA-N 0 0 348.493 4.411 50 0 EIAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccc(F)cc2)C1 ZINC000102753277 219227480 /nfs/dbraw/zinc/22/74/80/219227480.db2.gz ITVSEICFQQOSST-AWEZNQCLSA-N 0 0 328.347 4.080 50 0 EIAARN CSc1ccc(Cl)c(C(=O)OCC(=O)c2ccc(F)cc2)c1 ZINC000003363917 210018537 /nfs/dbraw/zinc/01/85/37/210018537.db2.gz LQCHGICOCJLCGN-UHFFFAOYSA-N 0 0 338.787 4.241 50 0 EIAARN Cc1ccc(-n2nnnc2SCc2ccc(Cl)cc2)c(C)c1 ZINC000003367937 210020129 /nfs/dbraw/zinc/02/01/29/210020129.db2.gz PYNKPRUFBNHURS-UHFFFAOYSA-N 0 0 330.844 4.225 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CCOc1cccc(C)c1 ZINC000003358536 210017181 /nfs/dbraw/zinc/01/71/81/210017181.db2.gz BNYVEMMDPIZRHT-UHFFFAOYSA-N 0 0 333.815 4.373 50 0 EIAARN C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(Cl)c3ccccc23)C1 ZINC000003325953 210008235 /nfs/dbraw/zinc/00/82/35/210008235.db2.gz PIUGNCLPOQUACE-KBPBESRZSA-N 0 0 331.843 4.377 50 0 EIAARN Cc1cc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)nc2C)c(C)o1 ZINC000067083868 215111948 /nfs/dbraw/zinc/11/19/48/215111948.db2.gz HRCANDVNEBHUIN-SNVBAGLBSA-N 0 0 326.318 4.110 50 0 EIAARN O=C(COC(=O)c1cccc(F)c1)Nc1ccccc1-c1ccccc1 ZINC000003321654 210007090 /nfs/dbraw/zinc/00/70/90/210007090.db2.gz KMWRQNMFJLULPL-UHFFFAOYSA-N 0 0 349.361 4.288 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=S)NC(=O)C1CCCCC1 ZINC000003329429 210009388 /nfs/dbraw/zinc/00/93/88/210009388.db2.gz NZEIFAOQGJGUDZ-UHFFFAOYSA-N 0 0 348.512 4.386 50 0 EIAARN O=C(O[C@H]1CCCCC1=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003303599 210001654 /nfs/dbraw/zinc/00/16/54/210001654.db2.gz AZCFOEVCTWGDII-IBGZPJMESA-N 0 0 335.359 4.163 50 0 EIAARN O=C(COc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 ZINC000003317672 210006045 /nfs/dbraw/zinc/00/60/45/210006045.db2.gz ZTGOXYDSEHOMBZ-UHFFFAOYSA-N 0 0 339.174 4.026 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)cc1C ZINC000003317666 210005842 /nfs/dbraw/zinc/00/58/42/210005842.db2.gz IZAVMFXZOWJKLU-UHFFFAOYSA-N 0 0 343.448 4.039 50 0 EIAARN O=C(COC(=O)C1CCCCC1)Nc1cc(Cl)ccc1Cl ZINC000003314114 210004569 /nfs/dbraw/zinc/00/45/69/210004569.db2.gz YWFAPTIYBJYGBW-UHFFFAOYSA-N 0 0 330.211 4.055 50 0 EIAARN FC(F)(F)c1cnc(NNC(=S)Nc2ccccc2)c(Cl)c1 ZINC000003310523 210002814 /nfs/dbraw/zinc/00/28/14/210002814.db2.gz UTDHUFHCAIRSMC-UHFFFAOYSA-N 0 0 346.765 4.067 50 0 EIAARN O=C(COc1ccc(Cl)cc1)OCc1nc2ccccc2s1 ZINC000003268403 209993774 /nfs/dbraw/zinc/99/37/74/209993774.db2.gz CGTNJGFJJIYZBD-UHFFFAOYSA-N 0 0 333.796 4.072 50 0 EIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nnc(C2CC2)s1 ZINC000003282335 209997067 /nfs/dbraw/zinc/99/70/67/209997067.db2.gz MVTSBOWUGRFHFI-GQCTYLIASA-N 0 0 340.235 4.374 50 0 EIAARN CCN(C(=O)Cn1cnc2ccccc21)c1cccc2ccccc21 ZINC000003252563 209989742 /nfs/dbraw/zinc/98/97/42/209989742.db2.gz OKGDTRUHHWKMID-UHFFFAOYSA-N 0 0 329.403 4.243 50 0 EIAARN O=C(c1cscn1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000102981005 219246095 /nfs/dbraw/zinc/24/60/95/219246095.db2.gz WBBUZYOYFYSZHD-AWEZNQCLSA-N 0 0 332.475 4.054 50 0 EIAARN CC(=O)Nc1ccc(S[C@H]2CCCc3ccccc3C2=O)cc1 ZINC000067428586 215144210 /nfs/dbraw/zinc/14/42/10/215144210.db2.gz CBXFWAYIPOJDOK-SFHVURJKSA-N 0 0 325.433 4.325 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2ccccc21 ZINC000003244100 209986135 /nfs/dbraw/zinc/98/61/35/209986135.db2.gz FXXCPJADOXNCGP-UHFFFAOYSA-N 0 0 343.839 4.322 50 0 EIAARN CC[C@@H](C)CC(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067473211 215150610 /nfs/dbraw/zinc/15/06/10/215150610.db2.gz GQKHGMDQIHYDTD-GFCCVEGCSA-N 0 0 334.366 4.205 50 0 EIAARN FC(F)(F)c1cnc(-c2noc(-c3ccccc3)n2)c(Cl)c1 ZINC000003134270 209970079 /nfs/dbraw/zinc/97/00/79/209970079.db2.gz MWSLDZPHPBEWPD-UHFFFAOYSA-N 0 0 325.677 4.471 50 0 EIAARN O=S(=O)(c1ccc(N[C@H]2CCCc3ccccc32)cc1)C(F)F ZINC000042790386 213534130 /nfs/dbraw/zinc/53/41/30/213534130.db2.gz LKLHHAYOIXELGU-INIZCTEOSA-N 0 0 337.391 4.172 50 0 EIAARN CSc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003017340 209954697 /nfs/dbraw/zinc/95/46/97/209954697.db2.gz HVENYFWKAQPGTM-UHFFFAOYSA-N 0 0 331.821 4.002 50 0 EIAARN C/C=C\c1ccc(OCC(=O)N[C@H](C)c2cccc(F)c2)c(OC)c1 ZINC000042672573 213523591 /nfs/dbraw/zinc/52/35/91/213523591.db2.gz FCFUZZLJOPIDKL-KXQLTZBTSA-N 0 0 343.398 4.124 50 0 EIAARN Clc1cccnc1NCc1cccnc1-n1cnc2ccccc21 ZINC000067739480 215198965 /nfs/dbraw/zinc/19/89/65/215198965.db2.gz ZDVBVFDCWWZUCO-UHFFFAOYSA-N 0 0 335.798 4.081 50 0 EIAARN COc1ccc(OS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 ZINC000002979303 209950034 /nfs/dbraw/zinc/95/00/34/209950034.db2.gz OSXBUCDHQUWKLV-UHFFFAOYSA-N 0 0 347.219 4.078 50 0 EIAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C(F)(F)F ZINC000002972280 209948353 /nfs/dbraw/zinc/94/83/53/209948353.db2.gz AUHPUGVMQGHLPZ-UHFFFAOYSA-N 0 0 337.326 4.168 50 0 EIAARN COc1cccc(OCCCOc2ccccc2Br)c1 ZINC000002904947 209939167 /nfs/dbraw/zinc/93/91/67/209939167.db2.gz AHYBMKJUOKAOQN-UHFFFAOYSA-N 0 0 337.213 4.306 50 0 EIAARN Cc1cc(C)cc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)C2=O)c1 ZINC000002881773 209936322 /nfs/dbraw/zinc/93/63/22/209936322.db2.gz HZHPHEIOAWVJFO-HNNXBMFYSA-N 0 0 344.414 4.444 50 0 EIAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cc3sccc3[nH]2)no1 ZINC000067805247 215218732 /nfs/dbraw/zinc/21/87/32/215218732.db2.gz ZBMOHWLPCFOLOG-CQSZACIVSA-N 0 0 329.425 4.318 50 0 EIAARN COc1ccc(-n2cnnc2C(c2ccccc2)c2ccccc2)cc1 ZINC000067879740 215238659 /nfs/dbraw/zinc/23/86/59/215238659.db2.gz CBBPRJFWZLVDFO-UHFFFAOYSA-N 0 0 341.414 4.456 50 0 EIAARN CC[C@@H](C)C(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067883866 215240716 /nfs/dbraw/zinc/24/07/16/215240716.db2.gz DYLBFULJBJKXQA-CQSZACIVSA-N 0 0 339.435 4.135 50 0 EIAARN COc1ccc(-c2nc(Cn3cnc4ccccc43)c(C)o2)c(F)c1 ZINC000067908607 215247443 /nfs/dbraw/zinc/24/74/43/215247443.db2.gz DLJFBYMWMXTCBL-UHFFFAOYSA-N 0 0 337.354 4.196 50 0 EIAARN CC(=O)c1cccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 ZINC000002817701 209921844 /nfs/dbraw/zinc/92/18/44/209921844.db2.gz KVKNEPHNDRRFMN-JKSUJKDBSA-N 0 0 348.229 4.415 50 0 EIAARN CN(C)c1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1 ZINC000002814194 209922396 /nfs/dbraw/zinc/92/23/96/209922396.db2.gz LYZRBDSKXOVSKP-UHFFFAOYSA-N 0 0 349.459 4.033 50 0 EIAARN CC(=O)c1cc(-c2ccccc2)[nH]c1N1CCN(c2ccccc2)CC1 ZINC000002776415 209908696 /nfs/dbraw/zinc/90/86/96/209908696.db2.gz QZPLOJAVDZQEJM-UHFFFAOYSA-N 0 0 345.446 4.211 50 0 EIAARN Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1C ZINC000002747961 209901244 /nfs/dbraw/zinc/90/12/44/209901244.db2.gz HUJXIXAWGABHBL-UHFFFAOYSA-N 0 0 337.345 4.035 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccc(Cl)cc1 ZINC000002713209 209894919 /nfs/dbraw/zinc/89/49/19/209894919.db2.gz FBESLPGINDQHOO-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CCOc1ccc2nc(NC(=O)c3cccnc3SC)sc2c1 ZINC000002663297 209888081 /nfs/dbraw/zinc/88/80/81/209888081.db2.gz GEZTXMBSXIKJHM-UHFFFAOYSA-N 0 0 345.449 4.064 50 0 EIAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nc(C)c1C ZINC000002657962 209887181 /nfs/dbraw/zinc/88/71/81/209887181.db2.gz WNVNJQOWCXBHEH-GFCCVEGCSA-N 0 0 335.860 4.175 50 0 EIAARN Cc1nccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)n1 ZINC000068361260 215301979 /nfs/dbraw/zinc/30/19/79/215301979.db2.gz AAVIQUZKHUQHRO-AWEZNQCLSA-N 0 0 332.407 4.210 50 0 EIAARN Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000179721455 233368792 /nfs/dbraw/zinc/36/87/92/233368792.db2.gz NUXPFCUYRIBDRA-GFCCVEGCSA-N 0 0 339.443 4.089 50 0 EIAARN CC(=O)CSc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12 ZINC000002585277 209871749 /nfs/dbraw/zinc/87/17/49/209871749.db2.gz MWVVWMPZOIJHFB-UHFFFAOYSA-N 0 0 349.415 4.428 50 0 EIAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000002551995 209867573 /nfs/dbraw/zinc/86/75/73/209867573.db2.gz MMKBUBXLROXDGR-UHFFFAOYSA-N 0 0 336.435 4.310 50 0 EIAARN FC(F)(F)c1ccc(C(F)(F)F)c(I)c1 ZINC000002510755 209860337 /nfs/dbraw/zinc/86/03/37/209860337.db2.gz CZSSTAYSWOBTOJ-UHFFFAOYSA-N 0 0 340.004 4.329 50 0 EIAARN CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(C)C ZINC000041095161 213416055 /nfs/dbraw/zinc/41/60/55/213416055.db2.gz BKUOTRHRVVDCQX-OAHLLOKOSA-N 0 0 347.480 4.248 50 0 EIAARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)C3=O ZINC000002412000 209849099 /nfs/dbraw/zinc/84/90/99/209849099.db2.gz IJXMEENEVCBDTA-FQEVSTJZSA-N 0 0 339.822 4.358 50 0 EIAARN CCCCOCCCNc1ncnc2c3cc(OCC)ccc3[nH]c21 ZINC000002430315 209849103 /nfs/dbraw/zinc/84/91/03/209849103.db2.gz OHHBHELKXMBPBH-UHFFFAOYSA-N 0 0 342.443 4.129 50 0 EIAARN CC(C)OCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 ZINC000002415468 209849129 /nfs/dbraw/zinc/84/91/29/209849129.db2.gz JGFDMEJSMNBFNE-UHFFFAOYSA-N 0 0 346.434 4.462 50 0 EIAARN CCCNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000002448431 209852337 /nfs/dbraw/zinc/85/23/37/209852337.db2.gz FIYGCVZVXHITOS-UHFFFAOYSA-N 0 0 331.803 4.124 50 0 EIAARN CCCOc1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12 ZINC000041096824 213415781 /nfs/dbraw/zinc/41/57/81/213415781.db2.gz XYELCZIBTAIUDV-UHFFFAOYSA-N 0 0 347.480 4.049 50 0 EIAARN Cc1cc(C)c(N2COc3ccc4c(C)cc(=O)oc4c3C2)c(C)c1 ZINC000002122085 209821917 /nfs/dbraw/zinc/82/19/17/209821917.db2.gz SPPKJSUIFLZTHO-UHFFFAOYSA-N 0 0 335.403 4.383 50 0 biogenic EIAARN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)[C@H]1CCOC1 ZINC000069004036 215351118 /nfs/dbraw/zinc/35/11/18/215351118.db2.gz WHAVEBHXBKXSOZ-HNNXBMFYSA-N 0 0 334.375 4.002 50 0 EIAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(C)c1nccs1 ZINC000068993347 215351380 /nfs/dbraw/zinc/35/13/80/215351380.db2.gz XGVWPIIOWLOHIX-UHFFFAOYSA-N 0 0 343.477 4.468 50 0 EIAARN CCCN(C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1cccc2ccccc21 ZINC000069176583 215368210 /nfs/dbraw/zinc/36/82/10/215368210.db2.gz SIENSRIKRFYFHN-RTBURBONSA-N 0 0 333.435 4.120 50 0 EIAARN Cc1noc(-c2ccc(NC(=O)c3ccc(F)cc3Cl)c(C)c2)n1 ZINC000040555280 213350105 /nfs/dbraw/zinc/35/01/05/213350105.db2.gz SOBSWYICBPTBSM-UHFFFAOYSA-N 0 0 345.761 4.398 50 0 EIAARN Cc1ccc(C(C)C)c(OCCCn2c(CO)nc3ccccc32)c1 ZINC000001926873 209806158 /nfs/dbraw/zinc/80/61/58/209806158.db2.gz PBSKBRJAWHYDLH-UHFFFAOYSA-N 0 0 338.451 4.430 50 0 EIAARN CCCC[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C ZINC000001927009 209806767 /nfs/dbraw/zinc/80/67/67/209806767.db2.gz MUEJFMJNBGHTSH-KRWDZBQOSA-N 0 0 339.414 4.374 50 0 EIAARN Cc1nc(-c2c[nH]c(C(=O)N[C@H](C)c3sc(C)nc3C)c2)cs1 ZINC000069381924 215395618 /nfs/dbraw/zinc/39/56/18/215395618.db2.gz QJOIJRFHQMCDCK-SECBINFHSA-N 0 0 346.481 4.011 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)o1 ZINC000069389762 215398360 /nfs/dbraw/zinc/39/83/60/215398360.db2.gz ZFVOWURMNFLAOP-UHFFFAOYSA-N 0 0 345.449 4.460 50 0 EIAARN CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000040526882 213336248 /nfs/dbraw/zinc/33/62/48/213336248.db2.gz GUZCBTGDFKXYSP-UHFFFAOYSA-N 0 0 345.830 4.352 50 0 EIAARN O=C(C[C@@H]1OCCc2sccc21)N1CCC[C@H]1c1ccsc1 ZINC000069418812 215407408 /nfs/dbraw/zinc/40/74/08/215407408.db2.gz MTLTXPLGBZDJDF-GJZGRUSLSA-N 0 0 333.478 4.177 50 0 EIAARN CCCCCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC ZINC000001799584 209795832 /nfs/dbraw/zinc/79/58/32/209795832.db2.gz UTEIYUCMQQNJSD-VQHVLOKHSA-N 0 0 346.452 4.373 50 0 biogenic EIAARN O=C(c1ccc(SC(F)F)cc1)N(Cc1ccncc1)C1CC1 ZINC000040489951 213319013 /nfs/dbraw/zinc/31/90/13/213319013.db2.gz IEXGLXSQFXMBCR-UHFFFAOYSA-N 0 0 334.391 4.201 50 0 EIAARN O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)NC1CCCC1 ZINC000040300726 213290155 /nfs/dbraw/zinc/29/01/55/213290155.db2.gz PITANRKZRABACD-CCEZHUSRSA-N 0 0 345.446 4.266 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)CCCc1cccs1 ZINC000040160181 213276684 /nfs/dbraw/zinc/27/66/84/213276684.db2.gz YQWPIJFPGQCNTF-UHFFFAOYSA-N 0 0 337.466 4.174 50 0 EIAARN O=C(NCc1ccccc1N1CCCC1)c1ccc(Cl)cc1F ZINC000040157782 213276058 /nfs/dbraw/zinc/27/60/58/213276058.db2.gz SBXGYIVYZUTICP-UHFFFAOYSA-N 0 0 332.806 4.009 50 0 EIAARN Cc1cccc(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)n1 ZINC000040156836 213275674 /nfs/dbraw/zinc/27/56/74/213275674.db2.gz YBOJJJADYQIFHW-UHFFFAOYSA-N 0 0 337.810 4.285 50 0 EIAARN CCC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccccc1Cl ZINC000040158497 213275681 /nfs/dbraw/zinc/27/56/81/213275681.db2.gz FWCPBLGWBXHDAP-QGZVFWFLSA-N 0 0 342.826 4.436 50 0 EIAARN O=C(c1ccc2ccccc2c1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000040156845 213275738 /nfs/dbraw/zinc/27/57/38/213275738.db2.gz SZSUTNRGGSNDRS-NRFANRHFSA-N 0 0 346.430 4.056 50 0 EIAARN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1ccc(F)cc1 ZINC000040156263 213274457 /nfs/dbraw/zinc/27/44/57/213274457.db2.gz SLIWFPHWMZPYQY-SFHVURJKSA-N 0 0 337.398 4.080 50 0 EIAARN CCSc1ccccc1NC(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000040151900 213272799 /nfs/dbraw/zinc/27/27/99/213272799.db2.gz XXRYBCCRCGJPCU-OAHLLOKOSA-N 0 0 343.496 4.445 50 0 EIAARN CC(=O)Nc1ccc(F)c(NC(=O)CCCc2ccc(Cl)cc2)c1 ZINC000040141846 213272566 /nfs/dbraw/zinc/27/25/66/213272566.db2.gz NMNPMWPOGOBMOD-UHFFFAOYSA-N 0 0 348.805 4.399 50 0 EIAARN Cc1c(C(=O)N[C@H](C)c2cccc(F)c2)oc2c1C(=O)CC(C)(C)C2 ZINC000040141196 213272325 /nfs/dbraw/zinc/27/23/25/213272325.db2.gz NIXLWWHMWRAWNN-GFCCVEGCSA-N 0 0 343.398 4.373 50 0 EIAARN C[C@@H](Oc1ccc(C(=O)N[C@@H](C)c2ccncc2)cn1)c1ccccc1 ZINC000040130203 213270273 /nfs/dbraw/zinc/27/02/73/213270273.db2.gz HJAWOWNASCGDTN-JKSUJKDBSA-N 0 0 347.418 4.108 50 0 EIAARN O=C(Nc1nnc(C2CC2)s1)c1cc(F)ccc1-c1ccccc1 ZINC000040140341 213270682 /nfs/dbraw/zinc/27/06/82/213270682.db2.gz DIUGDYKBMBCGEA-UHFFFAOYSA-N 0 0 339.395 4.474 50 0 EIAARN COc1cc(OC)c(NC(=O)N(C)Cc2ccc(C)cc2)cc1Cl ZINC000040103508 213265055 /nfs/dbraw/zinc/26/50/55/213265055.db2.gz QRZQXKFCWGFJCF-UHFFFAOYSA-N 0 0 348.830 4.330 50 0 EIAARN COc1ccc(-c2nc(CN(C)[C@H]3CCc4ccccc43)co2)cc1 ZINC000040050672 213255689 /nfs/dbraw/zinc/25/56/89/213255689.db2.gz YRMORPFGWBHIEC-FQEVSTJZSA-N 0 0 334.419 4.470 50 0 EIAARN Cc1nc2ccc(NC(=O)[C@H](C)n3cnc4ccccc43)cc2s1 ZINC000040072791 213258225 /nfs/dbraw/zinc/25/82/25/213258225.db2.gz SVVTZENICCYOCB-NSHDSACASA-N 0 0 336.420 4.154 50 0 EIAARN C[C@@H](Nc1nc(-c2cccs2)nc2ccccc21)[C@@H]1CCCO1 ZINC000040072575 213257412 /nfs/dbraw/zinc/25/74/12/213257412.db2.gz NQQVHHNBDOLNJV-DOMZBBRYSA-N 0 0 325.437 4.338 50 0 EIAARN CCCn1c(C)c(C(=O)NC2CCCCC2)c2cc(OC)ccc21 ZINC000040017201 213251366 /nfs/dbraw/zinc/25/13/66/213251366.db2.gz VEOMLOGQVHRVCH-UHFFFAOYSA-N 0 0 328.456 4.431 50 0 EIAARN O=C(CSC1CCCC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000040023554 213251144 /nfs/dbraw/zinc/25/11/44/213251144.db2.gz JYHAWTAUCADLNZ-UHFFFAOYSA-N 0 0 341.480 4.364 50 0 EIAARN C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000040038940 213254073 /nfs/dbraw/zinc/25/40/73/213254073.db2.gz CZTYEOBHFDIJQX-SJORKVTESA-N 0 0 348.450 4.336 50 0 EIAARN O=C(CNc1ccc(SC(F)F)cc1)NC1CCCCCC1 ZINC000039987651 213248881 /nfs/dbraw/zinc/24/88/81/213248881.db2.gz USFYJTOCHQSTSB-UHFFFAOYSA-N 0 0 328.428 4.252 50 0 EIAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cccn1C ZINC000039978524 213248060 /nfs/dbraw/zinc/24/80/60/213248060.db2.gz FKQASFLRMBUDNU-UHFFFAOYSA-N 0 0 336.435 4.239 50 0 EIAARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccco1 ZINC000039978547 213247903 /nfs/dbraw/zinc/24/79/03/213247903.db2.gz XMWLUHQDAGOLQA-ZJUUUORDSA-N 0 0 328.195 4.231 50 0 EIAARN CC(=O)NCc1ccc(-c2cn3c4ccc(C)cc4sc3n2)s1 ZINC000039978420 213247966 /nfs/dbraw/zinc/24/79/66/213247966.db2.gz WQWJPUDPMJXLOW-UHFFFAOYSA-N 0 0 341.461 4.222 50 0 EIAARN Cc1ccc2oc(=O)n(Cc3ccccc3OCCC(C)C)c2c1 ZINC000001452887 209750324 /nfs/dbraw/zinc/75/03/24/209750324.db2.gz VEAWIRNHRVCCQY-UHFFFAOYSA-N 0 0 325.408 4.376 50 0 EIAARN Cc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl ZINC000001425196 209745484 /nfs/dbraw/zinc/74/54/84/209745484.db2.gz QGJSQMXCGJOCHY-UHFFFAOYSA-N 0 0 337.876 4.211 50 0 EIAARN COc1ccc(C(=O)CCc2nc3ccccc3s2)cc1OC ZINC000001422501 209744703 /nfs/dbraw/zinc/74/47/03/209744703.db2.gz IJIVCWQFPSYAIJ-UHFFFAOYSA-N 0 0 327.405 4.129 50 0 EIAARN FC(F)(F)c1cccc(-c2nnnn2Cc2cccc(Cl)c2)c1 ZINC000001405236 209741472 /nfs/dbraw/zinc/74/14/72/209741472.db2.gz AVYHAEHFHGVQPV-UHFFFAOYSA-N 0 0 338.720 4.061 50 0 EIAARN O=C(NCC1(c2ccccc2)CCOCC1)Nc1ccccc1Cl 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CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072463742 216246665 /nfs/dbraw/zinc/24/66/65/216246665.db2.gz JBAKTIYTDLPQNB-LJQANCHMSA-N 0 0 340.467 4.008 50 0 EIAARN Fc1ccc(-c2csc(N3CCC(c4ncc[nH]4)CC3)n2)cc1 ZINC000072478432 216256883 /nfs/dbraw/zinc/25/68/83/216256883.db2.gz AHIKEXZPDFEDMF-UHFFFAOYSA-N 0 0 328.416 4.056 50 0 EIAARN c1cc2c(nc(NCc3cccnc3)cc2-c2n[nH]c3ccccc32)[nH]1 ZINC000072474191 216252146 /nfs/dbraw/zinc/25/21/46/216252146.db2.gz SCCXSFWAHSNHDT-UHFFFAOYSA-N 0 0 340.390 4.113 50 0 EIAARN C[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccncc1 ZINC000027405475 212556477 /nfs/dbraw/zinc/55/64/77/212556477.db2.gz HXFFNVGLTVSPTL-QGZVFWFLSA-N 0 0 346.430 4.065 50 0 EIAARN C[C@@H](Sc1nccn1-c1ccccc1)C(=O)Nc1ccccc1F ZINC000027486653 212559743 /nfs/dbraw/zinc/55/97/43/212559743.db2.gz ZUMZQJJAXSTYHM-CYBMUJFWSA-N 0 0 341.411 4.131 50 0 EIAARN Clc1cc(CNc2cnc3ccccc3n2)cc2c1OCCCO2 ZINC000026137218 212507684 /nfs/dbraw/zinc/50/76/84/212507684.db2.gz XZFODVPEBCNTTD-UHFFFAOYSA-N 0 0 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CC(C)=C[C@@H]1[C@H](C(=O)NCc2coc(-c3cccs3)n2)C1(C)C ZINC000022186460 212281423 /nfs/dbraw/zinc/28/14/23/212281423.db2.gz RLJNHVCLTMAWGT-UKRRQHHQSA-N 0 0 330.453 4.258 50 0 EIAARN Cc1nc(-c2ccccc2NC(=O)Cn2cnc3ccccc32)cs1 ZINC000208008367 241066150 /nfs/dbraw/zinc/06/61/50/241066150.db2.gz VSMYJGIQXUTNRJ-UHFFFAOYSA-N 0 0 348.431 4.107 50 0 EIAARN Cc1c2cc(F)ccc2n(C)c1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000215334162 241121175 /nfs/dbraw/zinc/12/11/75/241121175.db2.gz VRWKNWAITHKADL-MRXNPFEDSA-N 0 0 326.371 4.196 50 0 EIAARN COc1ccccc1CC(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206873888 241053576 /nfs/dbraw/zinc/05/35/76/241053576.db2.gz AGGLWDKSMRLWLF-SFHVURJKSA-N 0 0 341.426 4.173 50 0 EIAARN O=C(c1ccc2ncsc2c1)N1CCS[C@H](c2ccco2)CC1 ZINC000207005196 241060917 /nfs/dbraw/zinc/06/09/17/241060917.db2.gz AFEPDASAOVSQGP-HNNXBMFYSA-N 0 0 344.461 4.210 50 0 EIAARN Cc1noc(-c2sccc2NC(=O)/C=C/c2ccccc2Cl)n1 ZINC000207958327 241062655 /nfs/dbraw/zinc/06/26/55/241062655.db2.gz XMBCKYXTOICZPX-VOTSOKGWSA-N 0 0 345.811 4.412 50 0 EIAARN CC[C@@H](c1cccnc1)N(C)C(=O)c1cnc(C)nc1-c1ccccc1 ZINC000215793900 241146932 /nfs/dbraw/zinc/14/69/32/241146932.db2.gz KLAFOJBHJUQZSQ-IBGZPJMESA-N 0 0 346.434 4.070 50 0 EIAARN Cc1nc(CC2CCN(Cc3cccc(Cl)c3Cl)CC2)no1 ZINC000216508651 241197662 /nfs/dbraw/zinc/19/76/62/241197662.db2.gz CRACAIFUCFECGB-UHFFFAOYSA-N 0 0 340.254 4.140 50 0 EIAARN COc1cccc([C@H]2CCN2Cc2cc(Cl)cc(OC)c2OC)c1 ZINC000215662332 241136204 /nfs/dbraw/zinc/13/62/04/241136204.db2.gz GWTHXNCXXAVYRI-QGZVFWFLSA-N 0 0 347.842 4.313 50 0 EIAARN O=C(c1ccc(Cl)s1)N1CCS[C@H](c2ccco2)CC1 ZINC000219402789 241384177 /nfs/dbraw/zinc/38/41/77/241384177.db2.gz AATBZXCGINOWNK-NSHDSACASA-N 0 0 327.858 4.315 50 0 EIAARN O=C(c1ccc(F)c(F)c1F)N1CCS[C@@H](c2ccco2)CC1 ZINC000219419277 241385043 /nfs/dbraw/zinc/38/50/43/241385043.db2.gz YQZFWBNSQSHVLJ-CYBMUJFWSA-N 0 0 341.354 4.017 50 0 EIAARN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3cccnc3)nc2)c(C)c1 ZINC000075502051 216626032 /nfs/dbraw/zinc/62/60/32/216626032.db2.gz DMRVFYLIMSCBKG-INIZCTEOSA-N 0 0 331.419 4.251 50 0 EIAARN O=C(NCCSCc1ccsc1)C12CC3CC(CC(C3)C1)C2 ZINC000021963016 212266626 /nfs/dbraw/zinc/26/66/26/212266626.db2.gz YPAGQAZHJWKKDS-UHFFFAOYSA-N 0 0 335.538 4.314 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nc2ncccc2o1 ZINC000021920210 212264374 /nfs/dbraw/zinc/26/43/74/212264374.db2.gz BLMUULNFKDDCIF-JTQLQIEISA-N 0 0 347.827 4.304 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2sc(-c3ccccc3)nc2C)o1 ZINC000021913090 212262547 /nfs/dbraw/zinc/26/25/47/212262547.db2.gz BXJJNGJPPGJURE-UHFFFAOYSA-N 0 0 326.421 4.292 50 0 EIAARN Cc1cccc(Nc2nc3c(cnn3C)c(Nc3ccccc3)n2)c1 ZINC000021873357 212257894 /nfs/dbraw/zinc/25/78/94/212257894.db2.gz NTKHPDWZDJIMKK-UHFFFAOYSA-N 0 0 330.395 4.159 50 0 EIAARN CC[C@H](Sc1nc2cccnc2[nH]1)C(=O)Nc1ccc(Cl)cc1 ZINC000021869620 212257672 /nfs/dbraw/zinc/25/76/72/212257672.db2.gz UMDNXEPCEMDQDW-ZDUSSCGKSA-N 0 0 346.843 4.121 50 0 EIAARN CCC[C@@H](C(=O)Nc1ccc(C)cc1C)N1Cc2ccccc2C1=O ZINC000021868127 212257432 /nfs/dbraw/zinc/25/74/32/212257432.db2.gz BZOJBFBGXDMKQE-IBGZPJMESA-N 0 0 336.435 4.067 50 0 EIAARN CN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2cccc(F)c2)c1 ZINC000221290766 241463964 /nfs/dbraw/zinc/46/39/64/241463964.db2.gz REXDAJSXMNRXLF-IBGZPJMESA-N 0 0 327.399 4.134 50 0 EIAARN Cc1nc2cc(NC(=O)c3ccccc3Br)ccc2o1 ZINC000021831300 212254564 /nfs/dbraw/zinc/25/45/64/212254564.db2.gz MQRJRIYCTOILES-UHFFFAOYSA-N 0 0 331.169 4.151 50 0 EIAARN O=C(COc1ccc(F)cc1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000021830092 212254217 /nfs/dbraw/zinc/25/42/17/212254217.db2.gz XCEXEWFAUKFBEG-SFHVURJKSA-N 0 0 333.790 4.125 50 0 EIAARN O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000021905400 212262271 /nfs/dbraw/zinc/26/22/71/212262271.db2.gz WDHFCXZRAOLIIQ-KBPBESRZSA-N 0 0 349.858 4.154 50 0 EIAARN CCCCOc1ccccc1C(=O)Nc1noc(-c2ccccc2)n1 ZINC000021800448 212251497 /nfs/dbraw/zinc/25/14/97/212251497.db2.gz XARGZVTVRQRRAP-UHFFFAOYSA-N 0 0 337.379 4.168 50 0 EIAARN CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1 ZINC000021795045 212250819 /nfs/dbraw/zinc/25/08/19/212250819.db2.gz NEXANOVJPQWMSA-LLVKDONJSA-N 0 0 341.436 4.297 50 0 EIAARN CC(C)n1cccc1C(=O)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000223398189 241644792 /nfs/dbraw/zinc/64/47/92/241644792.db2.gz MUHYJBKXWPOXIK-GOSISDBHSA-N 0 0 340.467 4.402 50 0 EIAARN Cc1ccc(NC(=O)c2cccn3c(-c4ccc(F)cc4)nnc23)cc1 ZINC000021723469 212245546 /nfs/dbraw/zinc/24/55/46/212245546.db2.gz XELHKFMWPPAAGL-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN Cc1noc(C)c1[C@H]1CCCN1Cc1ccc(Br)cc1 ZINC000021720212 212245124 /nfs/dbraw/zinc/24/51/24/212245124.db2.gz WIWDFENSIRZYMM-OAHLLOKOSA-N 0 0 335.245 4.391 50 0 EIAARN CCc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000021719983 212245176 /nfs/dbraw/zinc/24/51/76/212245176.db2.gz GNFBXEISBBEYMB-LJQANCHMSA-N 0 0 336.439 4.273 50 0 EIAARN COc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)cc1OC ZINC000021720622 212245195 /nfs/dbraw/zinc/24/51/95/212245195.db2.gz CWSYXUIQDHIWJU-INIZCTEOSA-N 0 0 330.428 4.152 50 0 EIAARN O=c1c(Cc2cccs2)nc(-c2ccccc2)nn1-c1ccccc1 ZINC000226761161 242115510 /nfs/dbraw/zinc/11/55/10/242115510.db2.gz QINQOAFTHWFTFS-NBVRZTHBSA-N 0 0 345.427 4.087 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000227219853 242127315 /nfs/dbraw/zinc/12/73/15/242127315.db2.gz FIAXFZJVOJRGJM-UGFHNGPFSA-N 0 0 328.239 4.211 50 0 EIAARN CCOC(=O)c1cnc(NCc2ccccc2OC)c2ccccc12 ZINC000021650123 212237436 /nfs/dbraw/zinc/23/74/36/212237436.db2.gz XYMYQZRJIDSFQP-UHFFFAOYSA-N 0 0 336.391 4.032 50 0 EIAARN CCCc1cc([C@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)no1 ZINC000021719963 212244008 /nfs/dbraw/zinc/24/40/08/212244008.db2.gz SIQNZULWWMXSLV-LJQANCHMSA-N 0 0 336.439 4.354 50 0 EIAARN CC(C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000021619847 212234870 /nfs/dbraw/zinc/23/48/70/212234870.db2.gz FFXOCSDIEAEJLZ-LJQANCHMSA-N 0 0 349.478 4.138 50 0 EIAARN CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000229770458 242199011 /nfs/dbraw/zinc/19/90/11/242199011.db2.gz CGFQQSYIJYZPHN-VWPQPMDRSA-N 0 0 342.442 4.433 50 0 EIAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 ZINC000229967754 242219875 /nfs/dbraw/zinc/21/98/75/242219875.db2.gz PDPGROKNZXOTHB-CTNGQTDRSA-N 0 0 327.387 4.324 50 0 EIAARN COCc1nc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)cs1 ZINC000230125538 242235236 /nfs/dbraw/zinc/23/52/36/242235236.db2.gz VXMNBJXOQYNEBS-LPHOPBHVSA-N 0 0 328.481 4.191 50 0 EIAARN CC(C)N1CC[C@H](Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)C1=O ZINC000230222203 242253790 /nfs/dbraw/zinc/25/37/90/242253790.db2.gz JRBOIWIRAPCMQT-UXPWSPDFSA-N 0 0 344.499 4.203 50 0 EIAARN CCCCNC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1 ZINC000021362285 212222488 /nfs/dbraw/zinc/22/24/88/212222488.db2.gz HBAHAUKKQBXQIH-UHFFFAOYSA-N 0 0 349.434 4.259 50 0 EIAARN Cc1cc(F)ccc1Nc1c2[nH]cccc-2c(=O)n1-c1ccccc1 ZINC000021108271 212209040 /nfs/dbraw/zinc/20/90/40/212209040.db2.gz HDXHYUREARAFJI-IBGZPJMESA-N 0 0 333.366 4.300 50 0 EIAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)co1 ZINC000021111103 212209083 /nfs/dbraw/zinc/20/90/83/212209083.db2.gz JMCIQNZLHVTBRU-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN CCc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1 ZINC000021108119 212208916 /nfs/dbraw/zinc/20/89/16/212208916.db2.gz ASUFKVDDBGHRNI-FQEVSTJZSA-N 0 0 329.403 4.415 50 0 EIAARN Cc1cc(C)cc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c1 ZINC000021107447 212207138 /nfs/dbraw/zinc/20/71/38/212207138.db2.gz KHEUQNIXDKUPQG-OAQYLSRUSA-N 0 0 343.430 4.465 50 0 EIAARN COc1ccc2cc(NC(=O)N[C@@H]3CCCc4ccccc43)n(C)c2c1 ZINC000021148819 212211358 /nfs/dbraw/zinc/21/13/58/212211358.db2.gz RPXPGHJFDAEFFL-GOSISDBHSA-N 0 0 349.434 4.386 50 0 EIAARN Cc1cccc(-c2ocnc2C(=O)NCc2ccccc2Cl)c1 ZINC000021044608 212203145 /nfs/dbraw/zinc/20/31/45/212203145.db2.gz ATENHSJXIXLZNT-UHFFFAOYSA-N 0 0 326.783 4.233 50 0 EIAARN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)o1 ZINC000021032003 212202227 /nfs/dbraw/zinc/20/22/27/212202227.db2.gz YZISJMJCAZIJCI-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)o1 ZINC000021032959 212201565 /nfs/dbraw/zinc/20/15/65/212201565.db2.gz XCOHPDYJLWKTQS-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN O=C(C[C@H](c1cccc(F)c1)n1cccc1)NCc1ccc(F)cc1 ZINC000020998167 212197993 /nfs/dbraw/zinc/19/79/93/212197993.db2.gz GNBACPPQQUZFLR-LJQANCHMSA-N 0 0 340.373 4.062 50 0 EIAARN COc1cccc(NC(=O)C[C@@H](c2cccc(C)c2)n2cccc2)c1 ZINC000020998875 212197664 /nfs/dbraw/zinc/19/76/64/212197664.db2.gz YILOKBGXBXQVEH-FQEVSTJZSA-N 0 0 334.419 4.423 50 0 EIAARN COc1cccc([C@H](CC(=O)Nc2ccccc2C)n2cccc2)c1 ZINC000020998422 212197605 /nfs/dbraw/zinc/19/76/05/212197605.db2.gz PDUZDOUAJAFROC-FQEVSTJZSA-N 0 0 334.419 4.423 50 0 EIAARN COc1ccccc1NC(=O)C[C@H](c1ccc(F)cc1)n1cccc1 ZINC000020997792 212195830 /nfs/dbraw/zinc/19/58/30/212195830.db2.gz RBZLCMJBGNECQR-GOSISDBHSA-N 0 0 338.382 4.254 50 0 EIAARN COc1ccc(C)cc1NC(=O)C[C@H](c1cccs1)n1cccc1 ZINC000020997199 212195857 /nfs/dbraw/zinc/19/58/57/212195857.db2.gz YXYHRKNOQMUNTH-MRXNPFEDSA-N 0 0 340.448 4.485 50 0 EIAARN CC[C@H](Sc1nc2ncccc2o1)C(=O)Nc1ccc(C)cc1 ZINC000020993848 212195012 /nfs/dbraw/zinc/19/50/12/212195012.db2.gz XLMVQRHDRNHYFO-AWEZNQCLSA-N 0 0 327.409 4.041 50 0 EIAARN Cc1ccc2c(C(=O)N3CCCCCC3)cc(-c3cn[nH]c3)nc2c1C ZINC000020906507 212187246 /nfs/dbraw/zinc/18/72/46/212187246.db2.gz PPGBCCSZLOASFJ-UHFFFAOYSA-N 0 0 348.450 4.258 50 0 EIAARN Cc1cc([C@H](C)NC(=O)c2c[nH]c(=O)c3ccccc23)c(C)s1 ZINC000242273552 243015633 /nfs/dbraw/zinc/01/56/33/243015633.db2.gz YDQURILSMZKOBT-NSHDSACASA-N 0 0 326.421 4.110 50 0 EIAARN CCOc1ccccc1NC(=O)N1CCn2c(C)ccc2[C@H]1CC ZINC000020900263 212184700 /nfs/dbraw/zinc/18/47/00/212184700.db2.gz RGKTVJDMSAQKFZ-MRXNPFEDSA-N 0 0 327.428 4.194 50 0 EIAARN Cc1cccc(Nc2cc(C)nc3nc(-c4cccc(C)c4)nn32)c1 ZINC000020888813 212182269 /nfs/dbraw/zinc/18/22/69/212182269.db2.gz NIWBJANNPDXWML-UHFFFAOYSA-N 0 0 329.407 4.460 50 0 EIAARN Cc1cnc([C@H](C)NC(=O)N2CCC=C(c3ccccc3)C2)s1 ZINC000242339250 243019032 /nfs/dbraw/zinc/01/90/32/243019032.db2.gz ZGFZUMLSQFQOSS-AWEZNQCLSA-N 0 0 327.453 4.011 50 0 EIAARN CCc1ccccc1NC(=O)CCN1CCCC[C@@H]1c1cc(C)on1 ZINC000244758085 243077156 /nfs/dbraw/zinc/07/71/56/243077156.db2.gz OSCSXYDEIFOYPB-LJQANCHMSA-N 0 0 341.455 4.101 50 0 EIAARN Cc1noc([C@H]2CCCCN2Cc2cc(C3CCCCC3)no2)n1 ZINC000244874136 243091551 /nfs/dbraw/zinc/09/15/51/243091551.db2.gz WVABYEDNHVVDHM-QGZVFWFLSA-N 0 0 330.432 4.141 50 0 EIAARN Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 ZINC000020662106 212159468 /nfs/dbraw/zinc/15/94/68/212159468.db2.gz DBPSZLJAKWWBCE-UHFFFAOYSA-N 0 0 343.434 4.353 50 0 EIAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2onc(C)c21 ZINC000020605635 212154224 /nfs/dbraw/zinc/15/42/24/212154224.db2.gz XSRBAACDKFXPHQ-UHFFFAOYSA-N 0 0 337.162 4.292 50 0 EIAARN Cn1ncc2c1nc(C13CC4CC(CC(C4)C1)C3)cc2C(F)(F)F ZINC000020604872 212152858 /nfs/dbraw/zinc/15/28/58/212152858.db2.gz TUFJLSINXSBIFP-UHFFFAOYSA-N 0 0 335.373 4.455 50 0 EIAARN COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1OC ZINC000020551120 212147069 /nfs/dbraw/zinc/14/70/69/212147069.db2.gz CSDVOSSTKXKCFZ-ZDUSSCGKSA-N 0 0 340.423 4.075 50 0 EIAARN Cc1sc2c(c1C)CSC(C(=O)NCCc1ccccc1)=C2 ZINC000020557330 212147106 /nfs/dbraw/zinc/14/71/06/212147106.db2.gz YZNFZQBGXPHDON-UHFFFAOYSA-N 0 0 329.490 4.312 50 0 EIAARN OCCCn1ccc(-c2cccc(-c3ccc4ncccc4c3)c2)n1 ZINC000020537914 212144719 /nfs/dbraw/zinc/14/47/19/212144719.db2.gz OABDJRHXNRWFMI-UHFFFAOYSA-N 0 0 329.403 4.148 50 0 EIAARN Cc1csc(-c2ccc(NC(=O)c3c(F)ccc(O)c3F)cc2)n1 ZINC000252491810 243798948 /nfs/dbraw/zinc/79/89/48/243798948.db2.gz LTZMJGJQHTVNKJ-UHFFFAOYSA-N 0 0 346.358 4.355 50 0 EIAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)c1ccc2cc[nH]c2c1 ZINC000253396378 243897045 /nfs/dbraw/zinc/89/70/45/243897045.db2.gz BBEAISXQNUXXHY-GOSISDBHSA-N 0 0 329.403 4.457 50 0 EIAARN O=C(C[C@@H](c1ccccc1)n1cccc1)Nc1ccc(Cl)cn1 ZINC000253401722 243907614 /nfs/dbraw/zinc/90/76/14/243907614.db2.gz FUVAJSHPHSQQDC-INIZCTEOSA-N 0 0 325.799 4.155 50 0 EIAARN Cc1cc(C)c2c(n1)sc1c2N[C@@H](C)N(Cc2ccccc2)C1=O ZINC000020446412 212129699 /nfs/dbraw/zinc/12/96/99/212129699.db2.gz PVJSBAHYPLZIHF-CYBMUJFWSA-N 0 0 337.448 4.327 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CCC21OCCO1 ZINC000253596892 244031172 /nfs/dbraw/zinc/03/11/72/244031172.db2.gz XNJOZXWLEFEFEX-XUBFPOGISA-N 0 0 334.500 4.133 50 0 EIAARN Cc1nc(COc2ccccc2)sc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000020428229 212127876 /nfs/dbraw/zinc/12/78/76/212127876.db2.gz QXNLYXJKQWJCTK-XJKSGUPXSA-N 0 0 344.480 4.339 50 0 EIAARN Cc1ccc(Cn2[nH]cc3nc(-c4coc(-c5ccccc5)n4)nc2-3)o1 ZINC000020351572 212121112 /nfs/dbraw/zinc/12/11/12/212121112.db2.gz BEYHEVWHWBWIIO-UHFFFAOYSA-N 0 0 345.362 4.031 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000020373251 212123755 /nfs/dbraw/zinc/12/37/55/212123755.db2.gz FJYQVFUIHOGQEB-UHFFFAOYSA-N 0 0 336.222 4.241 50 0 EIAARN Fc1ccc(CNc2ccccc2I)cc1 ZINC000020360847 212122682 /nfs/dbraw/zinc/12/26/82/212122682.db2.gz RNGQLVKAGGXNHR-UHFFFAOYSA-N 0 0 327.140 4.042 50 0 EIAARN CCc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)c1 ZINC000020319524 212118939 /nfs/dbraw/zinc/11/89/39/212118939.db2.gz DBQIJOVFQVDNAB-IBGZPJMESA-N 0 0 349.459 4.472 50 0 EIAARN Cc1ccsc1C(=O)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000020206924 212112681 /nfs/dbraw/zinc/11/26/81/212112681.db2.gz QFTXRCOSXKGFQN-AWEZNQCLSA-N 0 0 339.464 4.028 50 0 EIAARN CC(C)[C@@H]([NH2+]Cc1ccccc1)[P@](=O)([O-])CCc1ccccc1 ZINC000020150119 212106755 /nfs/dbraw/zinc/10/67/55/212106755.db2.gz JOJGDPRZXONZIQ-IBGZPJMESA-N 0 0 331.396 4.271 50 0 EIAARN Cc1ccc(Cl)cc1N1C(=O)c2c(c3ccccc3nc2C)C1=O ZINC000020116314 212103286 /nfs/dbraw/zinc/10/32/86/212103286.db2.gz OPAKVJQQHDDTMR-UHFFFAOYSA-N 0 0 336.778 4.306 50 0 EIAARN Cc1nc([C@@H](C)N(C)C(=O)c2c[nH]nc2C2CCCCC2)c(C)s1 ZINC000077287973 216865754 /nfs/dbraw/zinc/86/57/54/216865754.db2.gz OWWIYEDVVIEWQV-LLVKDONJSA-N 0 0 346.500 4.364 50 0 EIAARN CCc1nc(SCC(=O)c2ccc(Br)cc2)[nH]c1C ZINC000020095052 212100467 /nfs/dbraw/zinc/10/04/67/212100467.db2.gz IGXFCZVRVKLKFC-UHFFFAOYSA-N 0 0 339.258 4.018 50 0 EIAARN Cc1ccc(C2(C(=O)Nc3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000020096592 212100262 /nfs/dbraw/zinc/10/02/62/212100262.db2.gz HLHUPLBIPUQNTN-UHFFFAOYSA-N 0 0 337.419 4.217 50 0 EIAARN CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3c3cc(C)on3)c2c1 ZINC000077356522 216881893 /nfs/dbraw/zinc/88/18/93/216881893.db2.gz GEBUVSWUZFICTH-FQEVSTJZSA-N 0 0 349.434 4.379 50 0 EIAARN OCCn1ccc(-c2cccc(-c3ccc4oc(C5CC5)nc4c3)c2)n1 ZINC000019939764 212088156 /nfs/dbraw/zinc/08/81/56/212088156.db2.gz CRLOAWGGDPLWOA-UHFFFAOYSA-N 0 0 345.402 4.228 50 0 EIAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1nccs1 ZINC000019927197 212084342 /nfs/dbraw/zinc/08/43/42/212084342.db2.gz KTHGHDWBHVEAQD-LLVKDONJSA-N 0 0 331.249 4.229 50 0 EIAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1)CO3 ZINC000019890867 212079893 /nfs/dbraw/zinc/07/98/93/212079893.db2.gz POIXIUIFKXANAL-UHFFFAOYSA-N 0 0 349.430 4.058 50 0 biogenic EIAARN CCn1ncc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)c1C ZINC000077485989 216916323 /nfs/dbraw/zinc/91/63/23/216916323.db2.gz OUMLJIIVKJLGFG-UHFFFAOYSA-N 0 0 349.434 4.276 50 0 EIAARN O=C(CCCC1CCCCC1)N1CCN(Cc2ccccc2)CC1 ZINC000019812473 212070930 /nfs/dbraw/zinc/07/09/30/212070930.db2.gz WTTWCTACCKHWDT-UHFFFAOYSA-N 0 0 328.500 4.081 50 0 EIAARN COc1ccc(-n2c(C)nc3c2nc(Nc2ccccc2)nc3C)cc1 ZINC000019816038 212071650 /nfs/dbraw/zinc/07/16/50/212071650.db2.gz OIKUYAUKRNZWDG-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN COc1ccccc1CC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000019742726 212060868 /nfs/dbraw/zinc/06/08/68/212060868.db2.gz RKNVQPZWAYCEFU-UHFFFAOYSA-N 0 0 334.375 4.064 50 0 EIAARN Cc1[nH]c2ccc(C(=O)NCc3ccc(OC(F)F)cc3)cc2c1C ZINC000019601301 212051249 /nfs/dbraw/zinc/05/12/49/212051249.db2.gz FEAYCNCDYMXHAH-UHFFFAOYSA-N 0 0 344.361 4.316 50 0 EIAARN Clc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000019537135 212041342 /nfs/dbraw/zinc/04/13/42/212041342.db2.gz FWYSZDBPNKBROR-RMKNXTFCSA-N 0 0 326.871 4.171 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000078026379 217012342 /nfs/dbraw/zinc/01/23/42/217012342.db2.gz ZAYPCRYWMBUPLH-UHFFFAOYSA-N 0 0 338.386 4.091 50 0 EIAARN CCCC(CCC)C(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000019334712 212016033 /nfs/dbraw/zinc/01/60/33/212016033.db2.gz SAMLUTNTULIRNA-UHFFFAOYSA-N 0 0 325.456 4.382 50 0 EIAARN Cc1sc2c(c1C)CN(C1CCCC1)CN2C(=O)c1ccco1 ZINC000049563742 214018353 /nfs/dbraw/zinc/01/83/53/214018353.db2.gz PWTNAQDNAHUGHK-UHFFFAOYSA-N 0 0 330.453 4.320 50 0 EIAARN CC[C@@H](C)n1nccc1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000078172870 217029401 /nfs/dbraw/zinc/02/94/01/217029401.db2.gz HEZCUUVCKVOHDQ-GFCCVEGCSA-N 0 0 342.424 4.355 50 0 EIAARN Cc1nc(CC(=O)Nc2cc(F)ccc2SCC(F)F)cs1 ZINC000078189272 217030724 /nfs/dbraw/zinc/03/07/24/217030724.db2.gz CBXJPNYITNAUDD-UHFFFAOYSA-N 0 0 346.399 4.129 50 0 EIAARN Cc1csc(-c2ccc(NC(=O)N(C)Cc3ccccn3)cc2)n1 ZINC000078394987 217046372 /nfs/dbraw/zinc/04/63/72/217046372.db2.gz DCLWTCYWWZAHEE-UHFFFAOYSA-N 0 0 338.436 4.177 50 0 EIAARN CCC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000018134835 211983027 /nfs/dbraw/zinc/98/30/27/211983027.db2.gz QNNFAFUBOYAIDN-LJQANCHMSA-N 0 0 336.435 4.085 50 0 EIAARN Cc1cc(CS[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)on1 ZINC000078555618 217074656 /nfs/dbraw/zinc/07/46/56/217074656.db2.gz XXXQERLMKMOEQV-VIFPVBQESA-N 0 0 328.796 4.036 50 0 EIAARN CC(C)c1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)n[nH]1 ZINC000078480611 217059860 /nfs/dbraw/zinc/05/98/60/217059860.db2.gz NRGAKLOTHARUCJ-SFHVURJKSA-N 0 0 327.428 4.172 50 0 EIAARN Cc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000017172968 211959221 /nfs/dbraw/zinc/95/92/21/211959221.db2.gz DXOKYTDFDGSPKO-UHFFFAOYSA-N 0 0 326.812 4.482 50 0 EIAARN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000017015428 211945400 /nfs/dbraw/zinc/94/54/00/211945400.db2.gz VPFOHMMLGUXLCX-UHFFFAOYSA-N 0 0 344.823 4.481 50 0 EIAARN CCOC(=O)c1ccc(Nc2ncnc3c4ccccc4oc32)cc1 ZINC000016955993 211943257 /nfs/dbraw/zinc/94/32/57/211943257.db2.gz GIUNAKSSINKGDQ-UHFFFAOYSA-N 0 0 333.347 4.296 50 0 EIAARN CC1(C)OC(=O)c2c1ccnc2N[C@H](c1ccccc1)c1ccccn1 ZINC000079002342 217172061 /nfs/dbraw/zinc/17/20/61/217172061.db2.gz BDEZQVLANNTWIO-GOSISDBHSA-N 0 0 345.402 4.084 50 0 EIAARN C[C@H](Nc1nccc2c1C(=O)OC2(C)C)c1nc(C(C)(C)C)cs1 ZINC000079002596 217172353 /nfs/dbraw/zinc/17/23/53/217172353.db2.gz GNIZBUMOMPYCSE-JTQLQIEISA-N 0 0 345.468 4.414 50 0 EIAARN O=C(COC(=O)C1(c2ccccc2)CCC1)c1c[nH]c2ccccc12 ZINC000016376372 211898173 /nfs/dbraw/zinc/89/81/73/211898173.db2.gz JMKLWSRJBGCMET-UHFFFAOYSA-N 0 0 333.387 4.016 50 0 EIAARN Cc1ccc2c(c1)nc(-n1nc3ccccc3n1)nc2-c1ccccc1 ZINC000079098391 217192858 /nfs/dbraw/zinc/19/28/58/217192858.db2.gz BMNDJUZBRVXCEH-UHFFFAOYSA-N 0 0 337.386 4.339 50 0 EIAARN Cc1cc(C)n2nc(S[C@@H](C)CCSc3ccccc3)nc2n1 ZINC000079109719 217195321 /nfs/dbraw/zinc/19/53/21/217195321.db2.gz XCALGOWIUNNCET-AWEZNQCLSA-N 0 0 344.509 4.404 50 0 EIAARN CCCOc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000079107141 217195334 /nfs/dbraw/zinc/19/53/34/217195334.db2.gz MTMJGJBGSZMYIH-GFCCVEGCSA-N 0 0 335.350 4.160 50 0 EIAARN CCCOc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000079107146 217195762 /nfs/dbraw/zinc/19/57/62/217195762.db2.gz MTMJGJBGSZMYIH-LBPRGKRZSA-N 0 0 335.350 4.160 50 0 EIAARN CC1(O)CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000079106974 217196032 /nfs/dbraw/zinc/19/60/32/217196032.db2.gz WQIOVGBWFNHFCI-UHFFFAOYSA-N 0 0 335.856 4.056 50 0 EIAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000079320672 217208845 /nfs/dbraw/zinc/20/88/45/217208845.db2.gz HUKIDKDCCLNDOL-SJCJKPOMSA-N 0 0 345.874 4.158 50 0 EIAARN COCCn1c(C(=O)Nc2ccc3[nH]ccc3c2)cc2ccccc21 ZINC000079437187 217224313 /nfs/dbraw/zinc/22/43/13/217224313.db2.gz CZPUKUWJFFEGFA-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 EIAARN CCc1nc2c3ccccc3oc2c(OCCOc2ccccc2)n1 ZINC000015866570 211864661 /nfs/dbraw/zinc/86/46/61/211864661.db2.gz QTIQADPJPLSZJO-UHFFFAOYSA-N 0 0 334.375 4.396 50 0 EIAARN CCC(=O)Nc1nc2cc(NC(=O)c3ccc(C)cc3)ccc2s1 ZINC000015863757 211863700 /nfs/dbraw/zinc/86/37/00/211863700.db2.gz NGPFWMFTEVPYKU-UHFFFAOYSA-N 0 0 339.420 4.206 50 0 EIAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)C1CCCCC1 ZINC000079488387 217232758 /nfs/dbraw/zinc/23/27/58/217232758.db2.gz NZKNAJDKEMXTDU-UHFFFAOYSA-N 0 0 337.379 4.342 50 0 EIAARN Cc1nc(C(=O)Nc2ccccc2O)c(-c2cccc(F)c2)s1 ZINC000079479963 217230063 /nfs/dbraw/zinc/23/00/63/217230063.db2.gz UEEQMOXFAJJXJY-UHFFFAOYSA-N 0 0 328.368 4.216 50 0 EIAARN COc1cc(C(=O)Nc2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC000015829243 211856311 /nfs/dbraw/zinc/85/63/11/211856311.db2.gz NZWKCVQJMRVNMH-UHFFFAOYSA-N 0 0 330.746 4.288 50 0 EIAARN O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000015836215 211858586 /nfs/dbraw/zinc/85/85/86/211858586.db2.gz BUKHNDQCLIJOCW-OAHLLOKOSA-N 0 0 326.327 4.051 50 0 EIAARN O=S(=O)(Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000016101118 211884880 /nfs/dbraw/zinc/88/48/80/211884880.db2.gz SKSQYCYTJKUMKB-UHFFFAOYSA-N 0 0 336.627 4.448 50 0 EIAARN Cc1cc(C(=O)OCc2ccc(-n3cccn3)cc2)c2ccccc2n1 ZINC000015375274 211820146 /nfs/dbraw/zinc/82/01/46/211820146.db2.gz PRMWFEWUFQAQQR-UHFFFAOYSA-N 0 0 343.386 4.086 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)cc1 ZINC000015358173 211818541 /nfs/dbraw/zinc/81/85/41/211818541.db2.gz JPLWCNOVOACSBC-NSHDSACASA-N 0 0 339.313 4.120 50 0 EIAARN COc1ccc(Br)cc1C[C@H]1C(=O)Nc2ccc(C)cc21 ZINC000015017215 211789908 /nfs/dbraw/zinc/78/99/08/211789908.db2.gz ITBXCBBBROMRHS-CQSZACIVSA-N 0 0 346.224 4.045 50 0 EIAARN O=C(NCC[C@@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000081252606 217373386 /nfs/dbraw/zinc/37/33/86/217373386.db2.gz OWNPQFBLWPQCQI-OAQYLSRUSA-N 0 0 345.442 4.058 50 0 EIAARN O=C(NCC[C@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000081252607 217374364 /nfs/dbraw/zinc/37/43/64/217374364.db2.gz OWNPQFBLWPQCQI-NRFANRHFSA-N 0 0 345.442 4.058 50 0 EIAARN O=C(/C=C/c1cccc2ccccc12)N[C@@H]1CCOc2ccccc21 ZINC000014780467 211761985 /nfs/dbraw/zinc/76/19/85/211761985.db2.gz NKXOTOPFGWGMQG-DRUFCSCSSA-N 0 0 329.399 4.493 50 0 EIAARN Cc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2cccc(C)c2n1 ZINC000082120619 217471966 /nfs/dbraw/zinc/47/19/66/217471966.db2.gz GURQRRNBRFGHMX-FQEVSTJZSA-N 0 0 346.430 4.065 50 0 EIAARN Cc1cn2cc(C(=O)N3CCC[C@H](c4ccccc4)CC3)ccc2n1 ZINC000082134145 217474725 /nfs/dbraw/zinc/47/47/25/217474725.db2.gz UMYJGXFLXAFFDI-SFHVURJKSA-N 0 0 333.435 4.053 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC000014209310 211711998 /nfs/dbraw/zinc/71/19/98/211711998.db2.gz XFHWAQJDIAHPLG-MRXNPFEDSA-N 0 0 333.840 4.313 50 0 EIAARN CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc(C)cc3)nc2c1 ZINC000014200679 211710785 /nfs/dbraw/zinc/71/07/85/211710785.db2.gz KBEBTOAOJZWHSB-DHZHZOJOSA-N 0 0 327.405 4.100 50 0 EIAARN CN(c1cccc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000083869540 217560600 /nfs/dbraw/zinc/56/06/00/217560600.db2.gz YASIMZSMMRMKLF-UHFFFAOYSA-N 0 0 337.444 4.154 50 0 EIAARN Cc1ccc(NCCCOCC(F)(F)F)cc1NC(=O)C(C)(C)C ZINC000086208069 217692425 /nfs/dbraw/zinc/69/24/25/217692425.db2.gz RTIJRMMSSVPPBV-UHFFFAOYSA-N 0 0 346.393 4.361 50 0 EIAARN C[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616657 211592725 /nfs/dbraw/zinc/59/27/25/211592725.db2.gz PGSOREYYNHHTPA-NOZJJQNGSA-N 0 0 349.253 4.400 50 0 EIAARN CCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000013020816 211514002 /nfs/dbraw/zinc/51/40/02/211514002.db2.gz CZXFNVIXZABIGD-CYBMUJFWSA-N 0 0 329.371 4.133 50 0 EIAARN C[C@H](NC(=O)CSCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000013002639 211507548 /nfs/dbraw/zinc/50/75/48/211507548.db2.gz CMXMEPMJRIJAPU-AWEZNQCLSA-N 0 0 349.883 4.329 50 0 EIAARN COC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000012998012 211504668 /nfs/dbraw/zinc/50/46/68/211504668.db2.gz FUVHUXFTSPXZJE-UHFFFAOYSA-N 0 0 345.398 4.320 50 0 EIAARN CCCc1noc([C@H](C)Sc2n[nH]c(C=Cc3ccccc3)n2)n1 ZINC000012978071 211497497 /nfs/dbraw/zinc/49/74/97/211497497.db2.gz PPFVZLMJYZCGDF-IIANPFDCSA-N 0 0 341.440 4.164 50 0 EIAARN Cn1ncc(NC(=O)Nc2ncc(-c3ccccc3)s2)c1C(F)F ZINC000089741045 217834537 /nfs/dbraw/zinc/83/45/37/217834537.db2.gz TZCHWZKNWIAZDH-UHFFFAOYSA-N 0 0 349.366 4.125 50 0 EIAARN COc1ccc(-c2nc(NC(=O)C[C@@H]3C=CCC3)sc2C)cc1 ZINC000012900806 211478828 /nfs/dbraw/zinc/47/88/28/211478828.db2.gz WUMSVHQTXOROSD-CYBMUJFWSA-N 0 0 328.437 4.422 50 0 EIAARN COc1ccc(C(C)=O)cc1COc1cccc2c1OC(C)(C)C2 ZINC000012896867 211477972 /nfs/dbraw/zinc/47/79/72/211477972.db2.gz JVXSJVICRLKYNV-UHFFFAOYSA-N 0 0 326.392 4.190 50 0 EIAARN O=C(NCCOc1ccc2ccccc2c1)c1ccc(F)cc1Cl ZINC000012855226 211469945 /nfs/dbraw/zinc/46/99/45/211469945.db2.gz GJUNWQFZNPOTSP-UHFFFAOYSA-N 0 0 343.785 4.441 50 0 EIAARN Cc1ccc(-c2ccsc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012807572 211461597 /nfs/dbraw/zinc/46/15/97/211461597.db2.gz LHHLIAGBXFGXJN-UHFFFAOYSA-N 0 0 349.415 4.145 50 0 EIAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(C)cc1F ZINC000012798193 211460663 /nfs/dbraw/zinc/46/06/63/211460663.db2.gz PNZRUKRICGNWKI-UHFFFAOYSA-N 0 0 341.361 4.328 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000012789156 211457037 /nfs/dbraw/zinc/45/70/37/211457037.db2.gz VBNQYZGIYDECJE-UHFFFAOYSA-N 0 0 331.437 4.275 50 0 EIAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)[nH]c2ccccc21 ZINC000012731972 211439983 /nfs/dbraw/zinc/43/99/83/211439983.db2.gz PCOMOVJGHVJRJS-UHFFFAOYSA-N 0 0 333.174 4.087 50 0 EIAARN C[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000012729063 211439857 /nfs/dbraw/zinc/43/98/57/211439857.db2.gz QUOHABHXMKFACW-NSHDSACASA-N 0 0 338.785 4.221 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)N(C)CC[C@H](O)c1ccccc1 ZINC000012703013 211434794 /nfs/dbraw/zinc/43/47/94/211434794.db2.gz PDHOCQLYMWRZRR-SFHVURJKSA-N 0 0 337.419 4.245 50 0 EIAARN O=C(c1ccccn1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000012775925 211452104 /nfs/dbraw/zinc/45/21/04/211452104.db2.gz BAKNJYAIGZPFIF-UHFFFAOYSA-N 0 0 349.459 4.264 50 0 EIAARN COc1cc(OC)c(NC(=O)c2c(F)cccc2Cl)cc1Cl ZINC000012771645 211451097 /nfs/dbraw/zinc/45/10/97/211451097.db2.gz MRXXLJWXQGVTEV-UHFFFAOYSA-N 0 0 344.169 4.402 50 0 EIAARN C[C@H](Nc1nc(-c2ccncc2)nc2ccccc21)c1ccccn1 ZINC000012767059 211449991 /nfs/dbraw/zinc/44/99/91/211449991.db2.gz RBYSUDYTUZZDDX-AWEZNQCLSA-N 0 0 327.391 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COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)NC3=O)c1 ZINC000006753315 210703035 /nfs/dbraw/zinc/70/30/35/210703035.db2.gz WMCRPUMBZWTVPG-SFHVURJKSA-N 0 0 347.418 4.042 50 0 EIAARN Cc1ccc(NC(=O)NCc2cccn2Cc2ccc(F)cc2)cc1 ZINC000006751763 210701754 /nfs/dbraw/zinc/70/17/54/210701754.db2.gz FFZIVPDGYNADGO-UHFFFAOYSA-N 0 0 337.398 4.306 50 0 EIAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccco1 ZINC000006750726 210701531 /nfs/dbraw/zinc/70/15/31/210701531.db2.gz BBLGMVQCLNOWEE-UHFFFAOYSA-N 0 0 336.416 4.279 50 0 EIAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1 ZINC000006747341 210699527 /nfs/dbraw/zinc/69/95/27/210699527.db2.gz OTXBXKLWHBCKCI-UHFFFAOYSA-N 0 0 345.782 4.134 50 0 EIAARN CC[C@](CNC(=O)Nc1ccccc1Cl)(OC)c1ccccc1 ZINC000096123823 218615341 /nfs/dbraw/zinc/61/53/41/218615341.db2.gz NBDSWRGQKSKUIP-GOSISDBHSA-N 0 0 332.831 4.413 50 0 EIAARN CSc1ccc(N2C(=O)N3CCCN3[C@@H]2c2ccc(C)cc2)cc1 ZINC000006737547 210695389 /nfs/dbraw/zinc/69/53/89/210695389.db2.gz XHDUFKILJYJDLL-SFHVURJKSA-N 0 0 339.464 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CWINUVFUGIQWHE-PKNBQFBNSA-N 0 0 339.382 4.149 50 0 EIAARN CCCn1c2ccccc2nc1SCC(=O)NC1CCCCCC1 ZINC000006509299 210643564 /nfs/dbraw/zinc/64/35/64/210643564.db2.gz KLSIKXVYVGWIBQ-UHFFFAOYSA-N 0 0 345.512 4.377 50 0 EIAARN Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)c1 ZINC000006462831 210636908 /nfs/dbraw/zinc/63/69/08/210636908.db2.gz KCGNANOZSUIYDZ-NSHDSACASA-N 0 0 345.449 4.226 50 0 EIAARN Cc1nc(C(C)C)c(C(=O)Nc2nc(-c3ccccn3)cs2)s1 ZINC000096224180 218699940 /nfs/dbraw/zinc/69/99/40/218699940.db2.gz LLXKYOBESPHBBO-UHFFFAOYSA-N 0 0 344.465 4.346 50 0 EIAARN Cc1c([C@@H](C)NC(=O)/C=C\c2cccc(-c3ccccc3)c2)cnn1C ZINC000096298018 218740914 /nfs/dbraw/zinc/74/09/14/218740914.db2.gz MXAPQDMTCVVRCO-BFFYNSAMSA-N 0 0 345.446 4.286 50 0 EIAARN CC(C)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000096318732 218743815 /nfs/dbraw/zinc/74/38/15/218743815.db2.gz XOZYSPVNUWKDFS-UHFFFAOYSA-N 0 0 341.430 4.303 50 0 EIAARN Cc1cc(/C=C\C(=O)NCc2nccs2)c(C)n1C1CCCCC1 ZINC000096401807 218750204 /nfs/dbraw/zinc/75/02/04/218750204.db2.gz KUEAFKPASMBFCS-HJWRWDBZSA-N 0 0 343.496 4.396 50 0 EIAARN C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(-n2cccn2)cc1 ZINC000096404403 218753850 /nfs/dbraw/zinc/75/38/50/218753850.db2.gz GHFRTVPTTFNEIR-PSLXWICFSA-N 0 0 328.412 4.021 50 0 EIAARN Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000005931830 210560457 /nfs/dbraw/zinc/56/04/57/210560457.db2.gz WMWSFOASAIKFNV-UHFFFAOYSA-N 0 0 338.432 4.236 50 0 EIAARN CCOCc1ccccc1NC(=O)N[C@](C)(CC)c1nccs1 ZINC000096418002 218779752 /nfs/dbraw/zinc/77/97/52/218779752.db2.gz NIBDMJKVYKHWSS-QGZVFWFLSA-N 0 0 333.457 4.127 50 0 EIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005869153 210551468 /nfs/dbraw/zinc/55/14/68/210551468.db2.gz RFRSMMFOEFFNJO-XUXNNNHQSA-N 0 0 333.859 4.192 50 0 EIAARN Cc1ccc2nc(CSc3ccc4ccccc4c3)cc(=O)n2c1 ZINC000005775911 210532703 /nfs/dbraw/zinc/53/27/03/210532703.db2.gz UUHUPTNLGFXMLC-UHFFFAOYSA-N 0 0 332.428 4.448 50 0 EIAARN C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccncc1 ZINC000005636397 210506369 /nfs/dbraw/zinc/50/63/69/210506369.db2.gz ARRLGLCWYFHJIH-QWRGUYRKSA-N 0 0 339.222 4.033 50 0 EIAARN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccccc1 ZINC000005584295 210495346 /nfs/dbraw/zinc/49/53/46/210495346.db2.gz FRQVQEYWEOOKED-UHFFFAOYSA-N 0 0 331.462 4.183 50 0 EIAARN CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)nn1 ZINC000096472869 218851417 /nfs/dbraw/zinc/85/14/17/218851417.db2.gz IAIVIHICENFDMW-ZWKOTPCHSA-N 0 0 347.393 4.049 50 0 EIAARN CCOc1cc(/C=C\C(=O)NC(C)(C)CC)ccc1OC(F)F ZINC000096536802 218882546 /nfs/dbraw/zinc/88/25/46/218882546.db2.gz LNLHSQLVUZUPIF-NTMALXAHSA-N 0 0 327.371 4.005 50 0 EIAARN C[C@H](Oc1ccccc1)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005454366 210467417 /nfs/dbraw/zinc/46/74/17/210467417.db2.gz XMPDUNWAASGIJX-JMHGQTNQSA-N 0 0 327.468 4.175 50 0 EIAARN CCOc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1OC ZINC000096662889 218886445 /nfs/dbraw/zinc/88/64/45/218886445.db2.gz ACPOCPMWANWVAJ-ZSOIEALJSA-N 0 0 329.783 4.240 50 0 EIAARN Brc1ccc(CSc2nnc(-c3ccncc3)o2)cc1 ZINC000005375854 210451650 /nfs/dbraw/zinc/45/16/50/210451650.db2.gz GYJQIJVEIAFBGY-UHFFFAOYSA-N 0 0 348.225 4.186 50 0 EIAARN CCN(C(=O)c1cc2nc(C)ccc2o1)[C@H](C)c1cccc(OC)c1 ZINC000097001149 218911979 /nfs/dbraw/zinc/91/19/79/218911979.db2.gz OHRNMVGEZFUEFH-CQSZACIVSA-N 0 0 338.407 4.368 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)c1 ZINC000005269202 210430295 /nfs/dbraw/zinc/43/02/95/210430295.db2.gz DEAQOGBKEIMOFM-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1Cl ZINC000005108943 210391931 /nfs/dbraw/zinc/39/19/31/210391931.db2.gz CUBGQXSWXBXGJD-UHFFFAOYSA-N 0 0 326.783 4.392 50 0 EIAARN COc1ccc(C(C)=O)cc1COC(=O)c1c(F)cccc1Cl ZINC000005109625 210391356 /nfs/dbraw/zinc/39/13/56/210391356.db2.gz QFYPWNPLSSXKTM-UHFFFAOYSA-N 0 0 336.746 4.047 50 0 EIAARN CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000005098253 210389834 /nfs/dbraw/zinc/38/98/34/210389834.db2.gz PUKRBRHXTDIWEJ-NTKDMRAZSA-N 0 0 347.395 4.020 50 0 EIAARN C[C@H](OC(=O)c1cc2ccccc2s1)C(=O)N(C)c1ccccc1 ZINC000005088074 210386417 /nfs/dbraw/zinc/38/64/17/210386417.db2.gz NNYYXAHOLMFMTF-ZDUSSCGKSA-N 0 0 339.416 4.110 50 0 EIAARN CCOC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)c(C)n1CC ZINC000005054627 210377571 /nfs/dbraw/zinc/37/75/71/210377571.db2.gz SRDPBUWINQPQPB-UHFFFAOYSA-N 0 0 342.439 4.171 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000005046697 210373970 /nfs/dbraw/zinc/37/39/70/210373970.db2.gz VASWCGBRDKYHRW-UHFFFAOYSA-N 0 0 348.402 4.449 50 0 EIAARN S=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)NC1CCCC1 ZINC000005041689 210371679 /nfs/dbraw/zinc/37/16/79/210371679.db2.gz FXBDQYAJIFDJRX-UHFFFAOYSA-N 0 0 344.528 4.037 50 0 EIAARN CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1C ZINC000005030148 210367360 /nfs/dbraw/zinc/36/73/60/210367360.db2.gz XKFICRGLDIIWGX-UHFFFAOYSA-N 0 0 334.419 4.006 50 0 EIAARN O=C(OCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000005020807 210364488 /nfs/dbraw/zinc/36/44/88/210364488.db2.gz GUSBZNAZVSKRNF-UHFFFAOYSA-N 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HXMUBYBLZHYKRI-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN O=C(CCCOc1cccc(Br)c1)Nc1ccccc1 ZINC000003534056 208568161 /nfs/dbraw/zinc/56/81/61/208568161.db2.gz MXXOWPSAVCPCBP-UHFFFAOYSA-N 0 0 334.213 4.247 50 0 EIAARN Fc1ccc(NCc2cc3c(cc2Br)OCO3)c(F)c1 ZINC000000041130 208555914 /nfs/dbraw/zinc/55/59/14/208555914.db2.gz JDCNOOMHGRFWSY-UHFFFAOYSA-N 0 0 342.139 4.068 50 0 EIAARN CC1CCN(C(=O)CSc2c3c(nc4ccccc42)CCC3)CC1 ZINC000004923754 210324976 /nfs/dbraw/zinc/32/49/76/210324976.db2.gz KPWTWEBYWUVTCO-UHFFFAOYSA-N 0 0 340.492 4.074 50 0 EIAARN CC(C)Cn1c(=O)c2ccccc2nc1SCc1ccccc1F ZINC000003493872 208559804 /nfs/dbraw/zinc/55/98/04/208559804.db2.gz GIXISTVGGRDCBA-UHFFFAOYSA-N 0 0 342.439 4.484 50 0 EIAARN COc1ccc2[nH]c(C)c(CCNC(=S)Nc3ccccc3)c2c1 ZINC000004905433 210319702 /nfs/dbraw/zinc/31/97/02/210319702.db2.gz KNEKWBUMTJUQPU-UHFFFAOYSA-N 0 0 339.464 4.014 50 0 EIAARN CC(C)n1nccc1NC(=O)[C@H](C)Oc1cc(Cl)ccc1Cl ZINC000007039736 208573915 /nfs/dbraw/zinc/57/39/15/208573915.db2.gz 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/nfs/dbraw/zinc/31/25/82/210312582.db2.gz NPVIUEPTJSYJNC-UHFFFAOYSA-N 0 0 337.286 4.219 50 0 EIAARN COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000004854190 210302506 /nfs/dbraw/zinc/30/25/06/210302506.db2.gz MJDQEQCIQKXCOI-FQEVSTJZSA-N 0 0 347.418 4.134 50 0 EIAARN O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccccc1F ZINC000004854252 210301502 /nfs/dbraw/zinc/30/15/02/210301502.db2.gz POSJTEIBHJIUNS-IBGZPJMESA-N 0 0 341.430 4.075 50 0 EIAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c1 ZINC000004856861 210303905 /nfs/dbraw/zinc/30/39/05/210303905.db2.gz IFGLMLYPSHSUIQ-UHFFFAOYSA-N 0 0 336.435 4.119 50 0 EIAARN COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000004844858 210297325 /nfs/dbraw/zinc/29/73/25/210297325.db2.gz DVZSOTJRYZTPCU-UHFFFAOYSA-N 0 0 345.420 4.177 50 0 EIAARN Nc1ccccc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000004843110 210295725 /nfs/dbraw/zinc/29/57/25/210295725.db2.gz VSDMZYSNJSMWEL-UHFFFAOYSA-N 0 0 327.236 4.306 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000004841073 210294609 /nfs/dbraw/zinc/29/46/09/210294609.db2.gz BDTDXGVNUUCALT-UHFFFAOYSA-N 0 0 327.327 4.158 50 0 EIAARN CCCc1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1 ZINC000004834714 210292272 /nfs/dbraw/zinc/29/22/72/210292272.db2.gz ZAJYSNMYGLUQJX-UHFFFAOYSA-N 0 0 341.889 4.265 50 0 EIAARN CC(=O)Nc1nc(-c2cccc(NC(=O)c3ccccc3)c2)cs1 ZINC000004834949 210292335 /nfs/dbraw/zinc/29/23/35/210292335.db2.gz ASVBTHOQXWKOFQ-UHFFFAOYSA-N 0 0 337.404 4.021 50 0 EIAARN Cc1cc([C@H]2CCCCN2Cc2cc(F)ccc2-n2cccn2)no1 ZINC000097463470 219025423 /nfs/dbraw/zinc/02/54/23/219025423.db2.gz PBZJXARKPSCIOZ-LJQANCHMSA-N 0 0 340.402 4.035 50 0 EIAARN CC(C)c1nnc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000097447092 219025614 /nfs/dbraw/zinc/02/56/14/219025614.db2.gz XVAISCSFZQQHJF-MRVPVSSYSA-N 0 0 343.214 4.383 50 0 EIAARN Cc1cc([C@H]2CCCCN2Cc2cnn(-c3cccc(F)c3)c2)no1 ZINC000097463647 219026287 /nfs/dbraw/zinc/02/62/87/219026287.db2.gz PFWMBWUVTPFKDB-LJQANCHMSA-N 0 0 340.402 4.035 50 0 EIAARN Cc1cccc(CSc2ncc(CO)n2Cc2ccc(F)cc2)c1 ZINC000004755172 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ZINC000000102304 563226286 /nfs/dbraw/zinc/22/62/86/563226286.db2.gz KDDORHXQXXHQRZ-UHFFFAOYSA-N 0 0 337.375 4.075 50 0 EIAARN Clc1ccc(-c2nnc(SCc3ccon3)o2)c(Cl)c1 ZINC000000104260 563226967 /nfs/dbraw/zinc/22/69/67/563226967.db2.gz XNRFSWILXRBIBM-UHFFFAOYSA-N 0 0 328.180 4.324 50 0 EIAARN O=C1C[C@@H](c2cccc(Br)c2)c2cc3c(cc2N1)CCC3 ZINC000000107736 563228534 /nfs/dbraw/zinc/22/85/34/563228534.db2.gz JQUGQXGGDXGFKW-HNNXBMFYSA-N 0 0 342.236 4.412 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)Nc1ccc(C)cc1 ZINC000000107840 563228651 /nfs/dbraw/zinc/22/86/51/563228651.db2.gz BDOWNVNYZZZCDY-UHFFFAOYSA-N 0 0 325.437 4.095 50 0 EIAARN O=C1O[C@@H](NNc2ccc(C(F)(F)F)cc2Cl)c2ccccc21 ZINC000000110636 563229644 /nfs/dbraw/zinc/22/96/44/563229644.db2.gz NQNUKXXYLKKEFC-CYBMUJFWSA-N 0 0 342.704 4.145 50 0 EIAARN COc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)c(OC)n1 ZINC000000111541 563229887 /nfs/dbraw/zinc/22/98/87/563229887.db2.gz CUCSNQSTNALVIJ-UHFFFAOYSA-N 0 0 342.182 4.050 50 0 EIAARN CC(=O)c1cccc(N2COc3ccc(Br)cc3C2)c1 ZINC000000111242 563229996 /nfs/dbraw/zinc/22/99/96/563229996.db2.gz UEWLJQVWEQZRTE-UHFFFAOYSA-N 0 0 332.197 4.008 50 0 EIAARN COc1cccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)c1 ZINC000000113701 563230649 /nfs/dbraw/zinc/23/06/49/563230649.db2.gz HVNKLTQXQGLAEP-UHFFFAOYSA-N 0 0 340.448 4.476 50 0 EIAARN O=C(CSc1ncnc2sc3c(c21)CCC3)c1ccc(F)cc1 ZINC000000114459 563231248 /nfs/dbraw/zinc/23/12/48/563231248.db2.gz XPMQEUVCORQRDX-UHFFFAOYSA-N 0 0 344.436 4.294 50 0 EIAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cc(C)ccn2)cc1 ZINC000000114897 563231372 /nfs/dbraw/zinc/23/13/72/563231372.db2.gz ICHWMYZYOBOOGZ-UHFFFAOYSA-N 0 0 327.387 4.065 50 0 EIAARN O=C(CSc1n[nH]c(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000000115114 563231411 /nfs/dbraw/zinc/23/14/11/563231411.db2.gz PIJXIYJKAQEIDW-UHFFFAOYSA-N 0 0 335.841 4.162 50 0 EIAARN CCOC(=O)c1cnc(-c2cccs2)nc1Nc1ccccc1 ZINC000000124475 563236170 /nfs/dbraw/zinc/23/61/70/563236170.db2.gz JEGHPKYWYPNOHF-UHFFFAOYSA-N 0 0 325.393 4.125 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1cccnc1 ZINC000000129846 563238066 /nfs/dbraw/zinc/23/80/66/563238066.db2.gz IUHPNQXHCCSXCE-OAHLLOKOSA-N 0 0 335.329 4.469 50 0 EIAARN COc1ccc(Oc2ccc(NC(=O)Cc3cccs3)cn2)cc1 ZINC000000131875 563238742 /nfs/dbraw/zinc/23/87/42/563238742.db2.gz LBDRIFRRNQRXOT-UHFFFAOYSA-N 0 0 340.404 4.125 50 0 EIAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(OC)c1 ZINC000000141424 563242207 /nfs/dbraw/zinc/24/22/07/563242207.db2.gz VFVRMEKUZGALET-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN CCc1cccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000000145586 563244164 /nfs/dbraw/zinc/24/41/64/563244164.db2.gz XAHUZLWSEAYFDQ-UHFFFAOYSA-N 0 0 338.451 4.257 50 0 EIAARN CCc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000000146918 563244476 /nfs/dbraw/zinc/24/44/76/563244476.db2.gz RKVKRFAQFWRXGX-UHFFFAOYSA-N 0 0 338.451 4.257 50 0 EIAARN COc1ccc(C(=O)Oc2c(C)cc(Br)cc2C)cc1 ZINC000000149113 563245478 /nfs/dbraw/zinc/24/54/78/563245478.db2.gz UXJITMNHCFRCCC-UHFFFAOYSA-N 0 0 335.197 4.294 50 0 EIAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2O)cc1 ZINC000000154922 563247334 /nfs/dbraw/zinc/24/73/34/563247334.db2.gz VRQQYVNGUFWYIF-UHFFFAOYSA-N 0 0 347.374 4.289 50 0 EIAARN CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000000155327 563247358 /nfs/dbraw/zinc/24/73/58/563247358.db2.gz GXLZCXZLVDUDHP-NRFANRHFSA-N 0 0 332.399 4.227 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](CC)C2 ZINC000000173254 563252348 /nfs/dbraw/zinc/25/23/48/563252348.db2.gz QDVMSOINSAONLU-NSHDSACASA-N 0 0 347.436 4.285 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)CC)C[C@@H](C(C)(C)C)CC2 ZINC000000191641 563256947 /nfs/dbraw/zinc/25/69/47/563256947.db2.gz IOZUMAJBMICSCI-NSHDSACASA-N 0 0 337.485 4.424 50 0 EIAARN CCOc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12 ZINC000000193751 563257219 /nfs/dbraw/zinc/25/72/19/563257219.db2.gz WIEMMWUTFXAPGM-HUUCEWRRSA-N 0 0 347.480 4.190 50 0 EIAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000000196446 563257985 /nfs/dbraw/zinc/25/79/85/563257985.db2.gz HVWBMHBCGPWVEF-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN COC(=O)CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000000199082 563258408 /nfs/dbraw/zinc/25/84/08/563258408.db2.gz IQGCOXYXEBQPQF-UHFFFAOYSA-N 0 0 344.823 4.215 50 0 EIAARN Cc1ccc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)cc1 ZINC000000218448 563262293 /nfs/dbraw/zinc/26/22/93/563262293.db2.gz GOCHNBHUIILYGT-UHFFFAOYSA-N 0 0 344.370 4.170 50 0 EIAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 ZINC000000238977 563264566 /nfs/dbraw/zinc/26/45/66/563264566.db2.gz HHGCKHHCZAOPSU-PZJWPPBQSA-N 0 0 345.377 4.463 50 0 EIAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000000240439 563265017 /nfs/dbraw/zinc/26/50/17/563265017.db2.gz XTEAQMVXFXGGEL-UHFFFAOYSA-N 0 0 330.383 4.245 50 0 EIAARN Cn1c(=O)c2c(nc1SCc1ccccc1)sc1c2CCCC1 ZINC000000246484 563266123 /nfs/dbraw/zinc/26/61/23/563266123.db2.gz LIFSNDFDELPFMG-UHFFFAOYSA-N 0 0 342.489 4.166 50 0 EIAARN O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000000263617 563268640 /nfs/dbraw/zinc/26/86/40/563268640.db2.gz JXJDVNZUISURMT-CAPFRKAQSA-N 0 0 342.398 4.096 50 0 EIAARN Cc1ccc(OCC(=O)Oc2ccc(Br)cc2)cc1C ZINC000000272973 563269965 /nfs/dbraw/zinc/26/99/65/563269965.db2.gz LYDSAHPXPVZBCL-UHFFFAOYSA-N 0 0 335.197 4.050 50 0 EIAARN CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1 ZINC000000275242 563270752 /nfs/dbraw/zinc/27/07/52/563270752.db2.gz KZFUMWVJJNDGAU-UHFFFAOYSA-N 0 0 347.418 4.193 50 0 biogenic EIAARN C[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000000277436 563271057 /nfs/dbraw/zinc/27/10/57/563271057.db2.gz PGSOREYYNHHTPA-TVQRCGJNSA-N 0 0 349.253 4.400 50 0 EIAARN Cc1cccc(C[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000000281860 563272258 /nfs/dbraw/zinc/27/22/58/563272258.db2.gz MFZPHGWZLSLFLL-CYBMUJFWSA-N 0 0 348.229 4.424 50 0 EIAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1 ZINC000000308382 563278817 /nfs/dbraw/zinc/27/88/17/563278817.db2.gz PVUYLUYGUIIBEU-UHFFFAOYSA-N 0 0 327.434 4.083 50 0 EIAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c4ccccc4ccc32)c1 ZINC000000310991 563280870 /nfs/dbraw/zinc/28/08/70/563280870.db2.gz KKNOZNJXFYPFAD-KRWDZBQOSA-N 0 0 333.387 4.331 50 0 EIAARN O=C(Nc1ccc(Oc2ccc(NC(=O)C3CC3)cc2)cc1)C1CC1 ZINC000000312967 563281621 /nfs/dbraw/zinc/28/16/21/563281621.db2.gz VLRPIVMVYBGNOL-UHFFFAOYSA-N 0 0 336.391 4.176 50 0 EIAARN O=Cc1cc(Br)ccc1OC(=O)c1ccccc1Cl ZINC000000316828 563283001 /nfs/dbraw/zinc/28/30/01/563283001.db2.gz DAFUAEYBKIWKIK-UHFFFAOYSA-N 0 0 339.572 4.134 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)OC(C)(C)C)CCCC2 ZINC000000337983 563285641 /nfs/dbraw/zinc/28/56/41/563285641.db2.gz VQCFOJJKJVUXFH-UHFFFAOYSA-N 0 0 325.430 4.151 50 0 EIAARN CCOC(=O)Nc1ccc(-c2ccc(NC(=O)OCC)cc2N)cc1 ZINC000000339048 563285925 /nfs/dbraw/zinc/28/59/25/563285925.db2.gz DDLXXZQIIBIOHJ-UHFFFAOYSA-N 0 0 343.383 4.073 50 0 EIAARN CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(OC)cc21 ZINC000000348640 563288627 /nfs/dbraw/zinc/28/86/27/563288627.db2.gz PFGPEZQFACFRKN-UHFFFAOYSA-N 0 0 337.419 4.378 50 0 EIAARN COc1ccc(-c2ccccc2)cc1N1C(=O)c2ccccc2C1=O ZINC000000352902 563290144 /nfs/dbraw/zinc/29/01/44/563290144.db2.gz LGSHXTCJSSXDAP-UHFFFAOYSA-N 0 0 329.355 4.163 50 0 EIAARN O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000357750 563291585 /nfs/dbraw/zinc/29/15/85/563291585.db2.gz BOYBMRGXYRCGAE-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000359065 563292260 /nfs/dbraw/zinc/29/22/60/563292260.db2.gz ZGGURFOFDBUFAE-AWEZNQCLSA-N 0 0 325.408 4.420 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000364304 563295402 /nfs/dbraw/zinc/29/54/02/563295402.db2.gz UJDKAONZITWZBU-SNVBAGLBSA-N 0 0 332.812 4.356 50 0 EIAARN COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1Cl ZINC000000364958 563296035 /nfs/dbraw/zinc/29/60/35/563296035.db2.gz RMMOQXIPNVEPDR-LBPRGKRZSA-N 0 0 349.814 4.072 50 0 EIAARN CC(C)CN(CC(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000376643 563299060 /nfs/dbraw/zinc/29/90/60/563299060.db2.gz OKJNRUDRZLDDMO-UHFFFAOYSA-N 0 0 338.300 4.296 50 0 EIAARN Cc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)n1 ZINC000000381965 563300058 /nfs/dbraw/zinc/30/00/58/563300058.db2.gz RWGMDOAOBUVNIK-IBGZPJMESA-N 0 0 333.366 4.300 50 0 EIAARN CCOc1cccc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)c1 ZINC000000386388 563302830 /nfs/dbraw/zinc/30/28/30/563302830.db2.gz FXAVGNKFDFGTKH-UHFFFAOYSA-N 0 0 342.439 4.301 50 0 EIAARN O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000000407956 563307257 /nfs/dbraw/zinc/30/72/57/563307257.db2.gz WHKFHPQCPXJVKS-UHFFFAOYSA-N 0 0 345.851 4.014 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000000432106 563311257 /nfs/dbraw/zinc/31/12/57/563311257.db2.gz YBCXUPVSCXGGJC-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CC[C@H]1CCc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)C1 ZINC000000433098 563311464 /nfs/dbraw/zinc/31/14/64/563311464.db2.gz SCOCKGQONUJONV-NSHDSACASA-N 0 0 343.452 4.006 50 0 EIAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 ZINC000000433866 563311904 /nfs/dbraw/zinc/31/19/04/563311904.db2.gz KUYYOXODJIMUIN-SNVBAGLBSA-N 0 0 348.493 4.066 50 0 aggregator EIAARN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(Cl)cc1 ZINC000000435440 563312868 /nfs/dbraw/zinc/31/28/68/563312868.db2.gz HEGJAOMSTQKGSG-UHFFFAOYSA-N 0 0 347.802 4.174 50 0 EIAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1)Nc1ccccc1-2 ZINC000000439743 563313509 /nfs/dbraw/zinc/31/35/09/563313509.db2.gz NRUPHKCFNJQUJV-MRXNPFEDSA-N 0 0 336.420 4.154 50 0 EIAARN CN(C)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000000441867 563314157 /nfs/dbraw/zinc/31/41/57/563314157.db2.gz IKYFGLFSXBKQTO-UHFFFAOYSA-N 0 0 326.440 4.068 50 0 EIAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C)C ZINC000000445693 563317053 /nfs/dbraw/zinc/31/70/53/563317053.db2.gz CQSPUATVPPWXAV-UHFFFAOYSA-N 0 0 347.436 4.195 50 0 EIAARN C[C@H](NC(=O)CSc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000000446360 563317302 /nfs/dbraw/zinc/31/73/02/563317302.db2.gz DAOBRQIMNHBMOL-AWEZNQCLSA-N 0 0 337.448 4.046 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000000447593 563317951 /nfs/dbraw/zinc/31/79/51/563317951.db2.gz 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/nfs/dbraw/zinc/32/29/58/563322958.db2.gz AFJWAVCRWVMZOP-WEVVVXLNSA-N 0 0 336.218 4.332 50 0 EIAARN O=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000000456928 563324622 /nfs/dbraw/zinc/32/46/22/563324622.db2.gz SZGVMIJNIDFWRL-UHFFFAOYSA-N 0 0 339.247 4.049 50 0 EIAARN CCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000000457223 563324830 /nfs/dbraw/zinc/32/48/30/563324830.db2.gz JWCWFMIDUMLHSY-UHFFFAOYSA-N 0 0 341.461 4.186 50 0 EIAARN CC(=O)Oc1ccc(-c2cccc(C(=O)Oc3ccccc3)c2)cc1 ZINC000000459295 563325969 /nfs/dbraw/zinc/32/59/69/563325969.db2.gz RVOALKYQPMFCTB-UHFFFAOYSA-N 0 0 332.355 4.498 50 0 EIAARN CC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000000466978 563328755 /nfs/dbraw/zinc/32/87/55/563328755.db2.gz QUIBTSSQCJXKHN-UHFFFAOYSA-N 0 0 338.190 4.309 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000000470187 563330738 /nfs/dbraw/zinc/33/07/38/563330738.db2.gz FVYIJOAOQUTQNI-UHFFFAOYSA-N 0 0 340.217 4.319 50 0 EIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000000475996 563334159 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CC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908286 563482098 /nfs/dbraw/zinc/48/20/98/563482098.db2.gz QZQFFNQFGMZMTE-LJQANCHMSA-N 0 0 349.434 4.244 50 0 EIAARN CCCCC(=O)Nc1c(-c2ccc(OC)cc2)nc2cc(C)ccn21 ZINC000034912777 563484834 /nfs/dbraw/zinc/48/48/34/563484834.db2.gz KLKXXDWWMWNIIT-UHFFFAOYSA-N 0 0 337.423 4.447 50 0 EIAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)CC(C)C ZINC000034913299 563485014 /nfs/dbraw/zinc/48/50/14/563485014.db2.gz VPLFPYJSNUNDDN-UHFFFAOYSA-N 0 0 325.387 4.433 50 0 EIAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)o2)c1 ZINC000003475100 563485640 /nfs/dbraw/zinc/48/56/40/563485640.db2.gz JABLSSZRRUZJHB-UHFFFAOYSA-N 0 0 345.449 4.146 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)c2ccc(OC)cc2)s1 ZINC000004184586 563496898 /nfs/dbraw/zinc/49/68/98/563496898.db2.gz WTRSOMAGWSQLNH-UHFFFAOYSA-N 0 0 344.461 4.237 50 0 EIAARN Cc1ccc([C@@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc1 ZINC000004310146 563499705 /nfs/dbraw/zinc/49/97/05/563499705.db2.gz MFQYKKPLFPHEMD-BQFCYCMXSA-N 0 0 349.478 4.180 50 0 EIAARN C[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4F)c(=O)c23)C1 ZINC000006016775 563557464 /nfs/dbraw/zinc/55/74/64/563557464.db2.gz KJLHULQTSDYMOI-VIFPVBQESA-N 0 0 346.452 4.374 50 0 EIAARN CCC[C@@H](C)c1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 ZINC000006274308 563563639 /nfs/dbraw/zinc/56/36/39/563563639.db2.gz HWJJMFUEYUSHGQ-SECBINFHSA-N 0 0 341.839 4.415 50 0 EIAARN Cc1cccc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)c1 ZINC000006450720 563568361 /nfs/dbraw/zinc/56/83/61/563568361.db2.gz WOPOOZNQURFVAF-UHFFFAOYSA-N 0 0 349.459 4.491 50 0 EIAARN C[C@H](O)C1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000071910305 563574417 /nfs/dbraw/zinc/57/44/17/563574417.db2.gz NGEHUENTJKJMTE-ZDUSSCGKSA-N 0 0 338.407 4.211 50 0 EIAARN c1csc(-c2nnc(CN3CCS[C@@H](c4ccccc4)C3)o2)c1 ZINC000071910892 563576725 /nfs/dbraw/zinc/57/67/25/563576725.db2.gz VNQDROADFGYWLF-OAHLLOKOSA-N 0 0 343.477 4.088 50 0 EIAARN C[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000006698998 563578944 /nfs/dbraw/zinc/57/89/44/563578944.db2.gz VVSIWXOUQGWQBU-SECBINFHSA-N 0 0 331.641 4.366 50 0 EIAARN C[C@@H]1CCCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006698768 563578971 /nfs/dbraw/zinc/57/89/71/563578971.db2.gz CWDSOGKEOLANEU-SNVBAGLBSA-N 0 0 334.769 4.172 50 0 EIAARN COC[C@@H](C)NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000006701268 563579639 /nfs/dbraw/zinc/57/96/39/563579639.db2.gz JDBDUSAACFOAJH-OAHLLOKOSA-N 0 0 329.465 4.052 50 0 EIAARN O=C(NCc1cccnc1)c1ccccc1SCc1ccccc1 ZINC000006702929 563580788 /nfs/dbraw/zinc/58/07/88/563580788.db2.gz YGIGEKIVAOURPL-UHFFFAOYSA-N 0 0 334.444 4.304 50 0 EIAARN Cc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000006714691 563581559 /nfs/dbraw/zinc/58/15/59/563581559.db2.gz ULQZGEPSRJSFQB-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN Cc1cc(C)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000006715792 563582266 /nfs/dbraw/zinc/58/22/66/563582266.db2.gz IZNKLNMJMUPBIS-UHFFFAOYSA-N 0 0 342.870 4.228 50 0 EIAARN COCc1cccc(NC(=O)NC2(c3nc(C)cs3)CCCC2)c1 ZINC000071911746 563586396 /nfs/dbraw/zinc/58/63/96/563586396.db2.gz XMRBCXZWMYVDFL-UHFFFAOYSA-N 0 0 345.468 4.189 50 0 EIAARN Cc1cccc(C(C)C)c1NC(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000071911701 563588621 /nfs/dbraw/zinc/58/86/21/563588621.db2.gz MVJOCWTYXKPIKQ-UHFFFAOYSA-N 0 0 349.438 4.402 50 0 EIAARN CC(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000000082853 563594647 /nfs/dbraw/zinc/59/46/47/563594647.db2.gz ZZBZHKRMPYPASA-GFCCVEGCSA-N 0 0 342.778 4.470 50 0 EIAARN Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000007195518 563597129 /nfs/dbraw/zinc/59/71/29/563597129.db2.gz QDZQFTCWLCUFNC-UHFFFAOYSA-N 0 0 334.784 4.266 50 0 EIAARN CSc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1 ZINC000002658045 563599304 /nfs/dbraw/zinc/59/93/04/563599304.db2.gz HSLAECVGQBWLSE-UHFFFAOYSA-N 0 0 348.424 4.175 50 0 EIAARN COc1ccc(C)c2sc(NC(=O)/C=C/c3cccs3)nc21 ZINC000002723920 563606277 /nfs/dbraw/zinc/60/62/77/563606277.db2.gz PNKGEPBTLHESAW-SOFGYWHQSA-N 0 0 330.434 4.327 50 0 EIAARN CC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000002721339 563606302 /nfs/dbraw/zinc/60/63/02/563606302.db2.gz AWGIOIKEGLPENK-NSHDSACASA-N 0 0 345.805 4.074 50 0 EIAARN CCCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000002721401 563606401 /nfs/dbraw/zinc/60/64/01/563606401.db2.gz DRVDIKCWQKACSJ-UHFFFAOYSA-N 0 0 341.842 4.072 50 0 EIAARN CCOC(=O)c1cc(C)sc1NC(=O)Cc1ccccc1Cl ZINC000002730517 563609014 /nfs/dbraw/zinc/60/90/14/563609014.db2.gz FNIPOLNVCXPRHG-UHFFFAOYSA-N 0 0 337.828 4.068 50 0 EIAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(F)c(F)c1 ZINC000002754782 563612363 /nfs/dbraw/zinc/61/23/63/563612363.db2.gz PCUYPSQPDADSKD-FPYGCLRLSA-N 0 0 338.151 4.379 50 0 EIAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000002793734 563616299 /nfs/dbraw/zinc/61/62/99/563616299.db2.gz QACWJZXCPYVYHZ-GFCCVEGCSA-N 0 0 345.409 4.076 50 0 EIAARN CCc1cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cs1 ZINC000002807744 563617522 /nfs/dbraw/zinc/61/75/22/563617522.db2.gz LXJBHPOQGWBSFA-UHFFFAOYSA-N 0 0 325.817 4.233 50 0 EIAARN CCCOc1ccccc1NC(=O)N(C)CCOc1ccccc1F ZINC000043452521 563618490 /nfs/dbraw/zinc/61/84/90/563618490.db2.gz KDCOZAJNVRHDDZ-UHFFFAOYSA-N 0 0 346.402 4.157 50 0 EIAARN CCC(CC)C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)c(O)c1 ZINC000008189402 563623130 /nfs/dbraw/zinc/62/31/30/563623130.db2.gz GQZMLSLIBQACMO-UHFFFAOYSA-N 0 0 340.423 4.328 50 0 EIAARN C[C@@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@]43C)OCCO5)[C@H]1CCC2=O ZINC000043618810 563625526 /nfs/dbraw/zinc/62/55/26/563625526.db2.gz USGKSIJYOHEDEV-UNNPPQAFSA-N 0 0 330.468 4.261 50 0 EIAARN CCCc1nnc2sc(Cc3ccc(-c4ccccc4)cc3)nn12 ZINC000008392244 563629019 /nfs/dbraw/zinc/62/90/19/563629019.db2.gz LTNWVZJNIMZQSX-UHFFFAOYSA-N 0 0 334.448 4.396 50 0 EIAARN CC1CCC(Nc2ncnc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000008595217 563633229 /nfs/dbraw/zinc/63/32/29/563633229.db2.gz LFDRMVYUCLQLMG-UHFFFAOYSA-N 0 0 326.375 4.415 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)no1 ZINC000008714184 563636025 /nfs/dbraw/zinc/63/60/25/563636025.db2.gz ZTYQRHUYFYBERA-UHFFFAOYSA-N 0 0 340.766 4.120 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)c1cc(F)cc(F)c1 ZINC000008724891 563638066 /nfs/dbraw/zinc/63/80/66/563638066.db2.gz XZKDQUCCTSKOQL-UHFFFAOYSA-N 0 0 330.103 4.119 50 0 EIAARN Cc1nc2ccccc2n1CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012537939 563662239 /nfs/dbraw/zinc/66/22/39/563662239.db2.gz AYXOOIRNTKYZBG-UHFFFAOYSA-N 0 0 334.206 4.290 50 0 EIAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)C1CCC1 ZINC000012572769 563663391 /nfs/dbraw/zinc/66/33/91/563663391.db2.gz WNYBJMMGFBMSMT-KRWDZBQOSA-N 0 0 337.467 4.111 50 0 EIAARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H]3CCCC3=O)n2n1 ZINC000012629023 563666081 /nfs/dbraw/zinc/66/60/81/563666081.db2.gz TWSJWSLDHPNTON-MRXNPFEDSA-N 0 0 337.448 4.227 50 0 EIAARN Cc1ccc(-c2ccc(O[C@H](C)C(=O)NCC(F)(F)F)cc2)cc1 ZINC000032638441 563670450 /nfs/dbraw/zinc/67/04/50/563670450.db2.gz ZMDINMMZTDVWHA-CYBMUJFWSA-N 0 0 337.341 4.108 50 0 EIAARN CC(C)c1ccc(-c2nc(C(=O)NCc3ccco3)cs2)cc1 ZINC000012789341 563671217 /nfs/dbraw/zinc/67/12/17/563671217.db2.gz PNRLPMMJWVADKO-UHFFFAOYSA-N 0 0 326.421 4.457 50 0 EIAARN S=c1scnn1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000012789092 563671227 /nfs/dbraw/zinc/67/12/27/563671227.db2.gz QFMOPGUIZSXQHJ-UHFFFAOYSA-N 0 0 348.522 4.121 50 0 EIAARN CCc1ccc([C@@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)cc1 ZINC000012793248 563671995 /nfs/dbraw/zinc/67/19/95/563671995.db2.gz SDDUJUBMPTYJCA-CABCVRRESA-N 0 0 342.508 4.107 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(F)c(F)c1)c1ccc2ccccc2c1 ZINC000012792775 563672027 /nfs/dbraw/zinc/67/20/27/563672027.db2.gz HSNXWUNIWRUQNJ-CYBMUJFWSA-N 0 0 341.357 4.374 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)o1 ZINC000012798463 563673019 /nfs/dbraw/zinc/67/30/19/563673019.db2.gz XCULSTIYIYGUCI-UHFFFAOYSA-N 0 0 339.416 4.153 50 0 EIAARN CSc1nc(C)c(CC(=O)Nc2ccc(Cl)cc2F)s1 ZINC000012804339 563674148 /nfs/dbraw/zinc/67/41/48/563674148.db2.gz AZZLDIQPOZZETI-UHFFFAOYSA-N 0 0 330.837 4.147 50 0 EIAARN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 ZINC000032656459 563676820 /nfs/dbraw/zinc/67/68/20/563676820.db2.gz OTROWJPKZNZGGX-KBXCAEBGSA-N 0 0 328.456 4.124 50 0 EIAARN COc1ccc(CCC(=O)N2CCCSc3ccccc32)cc1 ZINC000032675985 563677512 /nfs/dbraw/zinc/67/75/12/563677512.db2.gz XUXVMMIEJIQIAU-UHFFFAOYSA-N 0 0 327.449 4.157 50 0 EIAARN CCOc1ccc(OCC(=O)N(C)Cc2ccc3ccccc3c2)cc1 ZINC000012972891 563679550 /nfs/dbraw/zinc/67/95/50/563679550.db2.gz SHJYXFHMCGNHMM-UHFFFAOYSA-N 0 0 349.430 4.276 50 0 EIAARN O=C(CNc1ccc(F)c(Cl)c1)N1CCSc2ccccc21 ZINC000012993607 563683037 /nfs/dbraw/zinc/68/30/37/563683037.db2.gz LPRODWZQCOXESW-UHFFFAOYSA-N 0 0 336.819 4.030 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1ccc(C)c(F)c1)O[C@H](C)C2 ZINC000012995556 563683338 /nfs/dbraw/zinc/68/33/38/563683338.db2.gz OWAXWOPIGSKANU-GFCCVEGCSA-N 0 0 329.371 4.109 50 0 EIAARN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccccc1Cl ZINC000013001093 563684829 /nfs/dbraw/zinc/68/48/29/563684829.db2.gz IZDFONQAWBBHPF-JTQLQIEISA-N 0 0 347.773 4.187 50 0 EIAARN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000013012048 563685298 /nfs/dbraw/zinc/68/52/98/563685298.db2.gz INFVHIDJXCXQOU-CYBMUJFWSA-N 0 0 328.437 4.015 50 0 EIAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H](O)c2ccccc2)cc1 ZINC000013030677 563686089 /nfs/dbraw/zinc/68/60/89/563686089.db2.gz JEPAZAIGYPIKOT-NRFANRHFSA-N 0 0 328.415 4.475 50 0 EIAARN COc1cccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000013038949 563686098 /nfs/dbraw/zinc/68/60/98/563686098.db2.gz MHSBORTWVJWEFV-UHFFFAOYSA-N 0 0 346.858 4.036 50 0 EIAARN CN(Cc1ccccc1Cl)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013058047 563686861 /nfs/dbraw/zinc/68/68/61/563686861.db2.gz RKPDFSVAIABUEC-UHFFFAOYSA-N 0 0 348.233 4.274 50 0 EIAARN CCOc1ccc([C@@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000013131552 563689868 /nfs/dbraw/zinc/68/98/68/563689868.db2.gz ABPWFENKLHEUGN-OALUTQOASA-N 0 0 334.423 4.132 50 0 EIAARN C[C@]12CC3CC(C(=O)Nc4ccc5c(c4)OCO5)(C1)C[C@@](C)(C3)C2 ZINC000013301034 563694174 /nfs/dbraw/zinc/69/41/74/563694174.db2.gz GWYSHSDODZSNIY-GOSFSIBNSA-N 0 0 327.424 4.350 50 0 EIAARN O=C(Nc1nnc(-c2ccncc2)s1)c1cccc2ccccc21 ZINC000013331275 563696427 /nfs/dbraw/zinc/69/64/27/563696427.db2.gz MWIJPFUSHYTRHX-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN COc1ccccc1NC(=O)CCc1c(C)nn(-c2ccccc2)c1C ZINC000032716499 563698893 /nfs/dbraw/zinc/69/88/93/563698893.db2.gz NFOKFIOIVUPCCM-UHFFFAOYSA-N 0 0 349.434 4.069 50 0 EIAARN Clc1cc(Nc2nc3ccccc3o2)ccc1N1CCOCC1 ZINC000013549433 563701123 /nfs/dbraw/zinc/70/11/23/563701123.db2.gz FJMITHVPRZZVKJ-UHFFFAOYSA-N 0 0 329.787 4.061 50 0 EIAARN CCOc1cccc(-c2nnc(NC(=O)C3CCCCC3)s2)c1 ZINC000013570645 563702235 /nfs/dbraw/zinc/70/22/35/563702235.db2.gz ORXSQIMIZJYNDG-UHFFFAOYSA-N 0 0 331.441 4.123 50 0 EIAARN CC(=O)c1ccc(Oc2ccc3nnc(-c4ccc(C)cc4)n3n2)cc1 ZINC000013624935 563704232 /nfs/dbraw/zinc/70/42/32/563704232.db2.gz MEVUGPFOGRHHSX-UHFFFAOYSA-N 0 0 344.374 4.095 50 0 EIAARN CCOc1ccc2[nH]c3c(ncn(CCC4=CCCCC4)c3=O)c2c1 ZINC000013655755 563707524 /nfs/dbraw/zinc/70/75/24/563707524.db2.gz AEDPVRLSOMEGLB-UHFFFAOYSA-N 0 0 337.423 4.167 50 0 EIAARN O=C(Nc1ccc2[nH]ccc2c1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000013686169 563710846 /nfs/dbraw/zinc/71/08/46/563710846.db2.gz JPQKBPFHRZUZNC-UHFFFAOYSA-N 0 0 344.296 4.315 50 0 EIAARN COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(C)n3)s2)c1 ZINC000013690950 563712247 /nfs/dbraw/zinc/71/22/47/563712247.db2.gz FGAURCRNSFRKRV-UHFFFAOYSA-N 0 0 339.420 4.083 50 0 EIAARN Cc1csc(NC(=O)c2sc(-c3ccc(C)cc3)nc2C)n1 ZINC000013693659 563712968 /nfs/dbraw/zinc/71/29/68/563712968.db2.gz KZKSNRDFXYTPEJ-UHFFFAOYSA-N 0 0 329.450 4.444 50 0 EIAARN C[C@@H]1CCc2sc3ncn4c(nnc4-c4ccc(F)cc4)c3c2C1 ZINC000013726572 563718719 /nfs/dbraw/zinc/71/87/19/563718719.db2.gz IWJQHZVNFHVHEV-SNVBAGLBSA-N 0 0 338.411 4.270 50 0 EIAARN CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000013770325 563722228 /nfs/dbraw/zinc/72/22/28/563722228.db2.gz MPGFHMWXMINLQJ-MJGOQNOKSA-N 0 0 342.439 4.448 50 0 EIAARN CN(Cc1ccsc1)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000032747595 563725602 /nfs/dbraw/zinc/72/56/02/563725602.db2.gz YCZOHQRHHZUFPH-UHFFFAOYSA-N 0 0 334.491 4.134 50 0 EIAARN COc1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn32)cc1 ZINC000013956918 563732866 /nfs/dbraw/zinc/73/28/66/563732866.db2.gz UTHHKDWYXVTBHK-UHFFFAOYSA-N 0 0 348.387 4.275 50 0 EIAARN C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)c1cccc(Cl)c1 ZINC000014093351 563739190 /nfs/dbraw/zinc/73/91/90/563739190.db2.gz AKLORACHFZHBJZ-SNVBAGLBSA-N 0 0 347.827 4.092 50 0 EIAARN O=C1Cc2cc(-c3csc(NCCc4cccs4)n3)ccc2N1 ZINC000014103860 563741036 /nfs/dbraw/zinc/74/10/36/563741036.db2.gz DLCYMQKKRJLLQW-UHFFFAOYSA-N 0 0 341.461 4.021 50 0 EIAARN Cc1ccsc1CN(C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000014115046 563742076 /nfs/dbraw/zinc/74/20/76/563742076.db2.gz CXIWLBDIIBUALA-LLVKDONJSA-N 0 0 347.509 4.164 50 0 EIAARN CCN(CC(C)C)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000032800766 563743980 /nfs/dbraw/zinc/74/39/80/563743980.db2.gz JZMUDZUCQCOEMC-UHFFFAOYSA-N 0 0 343.471 4.297 50 0 EIAARN C[C@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000014141346 563745183 /nfs/dbraw/zinc/74/51/83/563745183.db2.gz RENJNFBABOTIFY-ZDUSSCGKSA-N 0 0 340.423 4.369 50 0 EIAARN CC(=O)NCc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 ZINC000014168140 563746525 /nfs/dbraw/zinc/74/65/25/563746525.db2.gz VKDITQFVJMMCNA-UHFFFAOYSA-N 0 0 326.396 4.252 50 0 EIAARN CCCCCNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC000014199987 563750042 /nfs/dbraw/zinc/75/00/42/563750042.db2.gz NWYGXIJCRIBDHU-UHFFFAOYSA-N 0 0 348.468 4.056 50 0 EIAARN COc1cc(C(C)=O)ccc1OCc1cc(-c2cccs2)on1 ZINC000014199765 563750118 /nfs/dbraw/zinc/75/01/18/563750118.db2.gz GZNYLUUXXUEXTO-UHFFFAOYSA-N 0 0 329.377 4.193 50 0 EIAARN O=C(OCc1csc(-c2ccsc2)n1)c1ccnc(Cl)c1 ZINC000014200767 563750582 /nfs/dbraw/zinc/75/05/82/563750582.db2.gz JGZOQNAWGJUERG-UHFFFAOYSA-N 0 0 336.825 4.277 50 0 EIAARN COc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC ZINC000014227579 563752491 /nfs/dbraw/zinc/75/24/91/563752491.db2.gz QRBJVWLYJCADHV-UHFFFAOYSA-N 0 0 341.388 4.223 50 0 EIAARN CC(C)c1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000014236008 563753160 /nfs/dbraw/zinc/75/31/60/563753160.db2.gz PRJOOEPIUYHYOD-UHFFFAOYSA-N 0 0 341.436 4.493 50 0 EIAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccccc3O)cc12 ZINC000014247395 563755033 /nfs/dbraw/zinc/75/50/33/563755033.db2.gz HLIXJWOZPJGBQV-UHFFFAOYSA-N 0 0 329.425 4.020 50 0 EIAARN CCOc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000014256120 563756452 /nfs/dbraw/zinc/75/64/52/563756452.db2.gz YQQHIKNQQAYIAR-UHFFFAOYSA-N 0 0 333.453 4.085 50 0 EIAARN COc1cccc2c1N(C(=O)c1csc(-c3ccco3)n1)CCC2 ZINC000032827424 563757217 /nfs/dbraw/zinc/75/72/17/563757217.db2.gz YEPSSLJDNKLWEO-UHFFFAOYSA-N 0 0 340.404 4.005 50 0 EIAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000014576221 563760901 /nfs/dbraw/zinc/76/09/01/563760901.db2.gz OIGPEHMHFBCKOG-UHFFFAOYSA-N 0 0 337.404 4.021 50 0 EIAARN C[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000032845200 563761595 /nfs/dbraw/zinc/76/15/95/563761595.db2.gz WPKUZMKFFPYSRP-UWVGGRQHSA-N 0 0 340.320 4.364 50 0 EIAARN COc1ccc(C)cc1CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000032845025 563761631 /nfs/dbraw/zinc/76/16/31/563761631.db2.gz LHEVJNSEBFXQBP-OAHLLOKOSA-N 0 0 341.476 4.464 50 0 EIAARN Cc1ccc([C@H](NC(=O)CCC(=O)c2ccc(F)cc2)C2CC2)cc1 ZINC000032865749 563765961 /nfs/dbraw/zinc/76/59/61/563765961.db2.gz JPIPDFXVRSEXKF-NRFANRHFSA-N 0 0 339.410 4.365 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Oc1ccc(Cl)cc1 ZINC000014898422 563766437 /nfs/dbraw/zinc/76/64/37/563766437.db2.gz ILUMCDOHIFXGFL-UHFFFAOYSA-N 0 0 327.767 4.452 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)n1 ZINC000015011627 563772208 /nfs/dbraw/zinc/77/22/08/563772208.db2.gz RKTAKBYOCUQGCF-UHFFFAOYSA-N 0 0 327.334 4.020 50 0 EIAARN COc1cc(Cl)c(C=Cc2cc(=O)c3ccccc3[nH]2)cc1OC ZINC000015016948 563772779 /nfs/dbraw/zinc/77/27/79/563772779.db2.gz ZEZHCKOLEAJJAK-BQYQJAHWSA-N 0 0 341.794 4.369 50 0 EIAARN O=C(Cc1cccc(C(F)(F)F)c1)NCC1(c2ccccc2)CCC1 ZINC000032876573 563773982 /nfs/dbraw/zinc/77/39/82/563773982.db2.gz MBJDYMJWOGENOK-UHFFFAOYSA-N 0 0 347.380 4.486 50 0 EIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc2ncccc21 ZINC000032871956 563774248 /nfs/dbraw/zinc/77/42/48/563774248.db2.gz IURYMRYSWDREPJ-UHFFFAOYSA-N 0 0 332.281 4.386 50 0 EIAARN O=C(CC1=CCCCC1)N1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000015064734 563774716 /nfs/dbraw/zinc/77/47/16/563774716.db2.gz RXFDIXMITAOZKD-JOCHJYFZSA-N 0 0 341.495 4.111 50 0 EIAARN CC(C)=CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000015068272 563775643 /nfs/dbraw/zinc/77/56/43/563775643.db2.gz QBHNPVKZUXNVHN-QGZVFWFLSA-N 0 0 341.430 4.107 50 0 EIAARN COc1ccc(-c2nc(CN(C)Cc3nccs3)c(C)o2)cc1C ZINC000015069821 563776068 /nfs/dbraw/zinc/77/60/68/563776068.db2.gz PRUVUWHMDBROJC-UHFFFAOYSA-N 0 0 343.452 4.056 50 0 EIAARN Cc1ccc(-c2nc(COc3ccc4c(c3)OCO4)cs2)cc1 ZINC000015108771 563778366 /nfs/dbraw/zinc/77/83/66/563778366.db2.gz LIKRVFAKTXYVIS-UHFFFAOYSA-N 0 0 325.389 4.426 50 0 EIAARN CN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCCc2ccccc21 ZINC000015291658 563781444 /nfs/dbraw/zinc/78/14/44/563781444.db2.gz ARLYNYZZAHGRNW-GOSISDBHSA-N 0 0 337.398 4.385 50 0 EIAARN COc1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000015356402 563783461 /nfs/dbraw/zinc/78/34/61/563783461.db2.gz HNBCVOMQXNGPBQ-UHFFFAOYSA-N 0 0 343.379 4.106 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)NCCCSc1ccc(F)cc1 ZINC000015497335 563785554 /nfs/dbraw/zinc/78/55/54/563785554.db2.gz GKZSZQDIIWJPAI-UHFFFAOYSA-N 0 0 342.439 4.148 50 0 EIAARN Cc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1C ZINC000015669578 563790023 /nfs/dbraw/zinc/79/00/23/563790023.db2.gz PZCUXQICDSAKQN-UHFFFAOYSA-N 0 0 341.436 4.376 50 0 EIAARN Cc1ccc(-c2noc(CCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 ZINC000015670004 563790298 /nfs/dbraw/zinc/79/02/98/563790298.db2.gz SRFHWMMKFJKXEB-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN Cc1csc(NC(=O)c2ccc(SCc3cscn3)cc2)n1 ZINC000032905360 563791812 /nfs/dbraw/zinc/79/18/12/563791812.db2.gz IJAOJWQOFKFZDO-UHFFFAOYSA-N 0 0 347.490 4.453 50 0 EIAARN COc1ccc(NC(=O)Cc2ccc(Cl)cc2)c2cccnc12 ZINC000015840710 563795782 /nfs/dbraw/zinc/79/57/82/563795782.db2.gz AZFHBELNXOIVDG-UHFFFAOYSA-N 0 0 326.783 4.078 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)Nc2ccc3nsnc3c2)ccc1Cl ZINC000015841249 563795805 /nfs/dbraw/zinc/79/58/05/563795805.db2.gz MNTKNVBJTUEXON-JTQLQIEISA-N 0 0 347.827 4.059 50 0 EIAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2)s1 ZINC000015866720 563797389 /nfs/dbraw/zinc/79/73/89/563797389.db2.gz OGXBDZMWHZSURC-MRXNPFEDSA-N 0 0 335.494 4.363 50 0 EIAARN CC(C)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000032907118 563799678 /nfs/dbraw/zinc/79/96/78/563799678.db2.gz VHQFYTICTJLUOB-UHFFFAOYSA-N 0 0 344.358 4.227 50 0 EIAARN CC(C)c1ccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000015934217 563800438 /nfs/dbraw/zinc/80/04/38/563800438.db2.gz YPGJQKATOSWMQA-ZDUSSCGKSA-N 0 0 326.396 4.421 50 0 EIAARN CCOCc1[nH]c(=S)[nH]c(=O)c1Cc1ccc(OCC(C)C)cc1 ZINC000015985617 563801537 /nfs/dbraw/zinc/80/15/37/563801537.db2.gz NYFMKODFZHUVRW-UHFFFAOYSA-N 0 0 348.468 4.007 50 0 EIAARN O=C(CCCOC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 ZINC000032909994 563802378 /nfs/dbraw/zinc/80/23/78/563802378.db2.gz YFMVKPQFVFZJLH-UHFFFAOYSA-N 0 0 338.737 4.438 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 ZINC000016227985 563806262 /nfs/dbraw/zinc/80/62/62/563806262.db2.gz VSTSEZAICJDSFV-UHFFFAOYSA-N 0 0 328.387 4.077 50 0 EIAARN CCOC(=O)c1ccc(NC(=S)N(CC)c2ccccc2C)cc1 ZINC000016238459 563806333 /nfs/dbraw/zinc/80/63/33/563806333.db2.gz CKTUSMZECAXGBP-UHFFFAOYSA-N 0 0 342.464 4.395 50 0 EIAARN Cc1cccc(-c2nc(CSc3nc4ccccc4n3C)no2)c1 ZINC000032913791 563807071 /nfs/dbraw/zinc/80/70/71/563807071.db2.gz FZGNTLSQGHKXDM-UHFFFAOYSA-N 0 0 336.420 4.224 50 0 EIAARN Cc1cc(Nc2ccc(C)c(F)c2)n2nc(-c3ccccc3)nc2n1 ZINC000016346987 563809461 /nfs/dbraw/zinc/80/94/61/563809461.db2.gz OZTWWLFVLWQQRI-UHFFFAOYSA-N 0 0 333.370 4.291 50 0 EIAARN COc1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000016505357 563813591 /nfs/dbraw/zinc/81/35/91/563813591.db2.gz UGWRXQKQQNZDPX-UHFFFAOYSA-N 0 0 333.391 4.011 50 0 EIAARN Cc1cc(C)cc(OCCOC(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000016695072 563821098 /nfs/dbraw/zinc/82/10/98/563821098.db2.gz IGHKSPNVFBAPTB-UHFFFAOYSA-N 0 0 340.206 4.241 50 0 EIAARN Cc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)c2c1 ZINC000016752998 563822573 /nfs/dbraw/zinc/82/25/73/563822573.db2.gz HZCLQDAYBXECFI-UHFFFAOYSA-N 0 0 347.292 4.373 50 0 EIAARN O=C(Cc1cn2ccsc2n1)N[C@@H](c1cccs1)C1CCCC1 ZINC000032924364 563827277 /nfs/dbraw/zinc/82/72/77/563827277.db2.gz VRTSMJMMRPYGMU-MRXNPFEDSA-N 0 0 345.493 4.048 50 0 EIAARN Nc1nc(Nc2ccc(Cl)cc2)nc(-c2cc3ccccc3o2)n1 ZINC000016977437 563828042 /nfs/dbraw/zinc/82/80/42/563828042.db2.gz SXVDOCQVLYLHHI-UHFFFAOYSA-N 0 0 337.770 4.264 50 0 EIAARN Cc1ccc(CNC(=S)N2c3ccc(F)cc3CC[C@H]2C)cc1 ZINC000017067312 563831343 /nfs/dbraw/zinc/83/13/43/563831343.db2.gz JRCHBQXTWFYJKY-CQSZACIVSA-N 0 0 328.456 4.350 50 0 EIAARN COC(C(=O)Nc1cccc(F)c1)(c1ccccc1)c1ccccc1 ZINC000017070598 563832699 /nfs/dbraw/zinc/83/26/99/563832699.db2.gz FTUQTRDMJIMXGH-UHFFFAOYSA-N 0 0 335.378 4.354 50 0 EIAARN CCOC(=O)Cn1nc(-c2ccc(C)cc2)cc1-c1ccc(C)cc1 ZINC000017070482 563832776 /nfs/dbraw/zinc/83/27/76/563832776.db2.gz STCYDNKSAGTVEP-UHFFFAOYSA-N 0 0 334.419 4.397 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000010428782 563846139 /nfs/dbraw/zinc/84/61/39/563846139.db2.gz NDUCMOBKHWYRLS-UHFFFAOYSA-N 0 0 330.815 4.201 50 0 EIAARN c1nc(NCc2ccc(NCc3cccc4ccccc43)cc2)n[nH]1 ZINC000018173125 563850295 /nfs/dbraw/zinc/85/02/95/563850295.db2.gz VEROXRHTGXSPLU-UHFFFAOYSA-N 0 0 329.407 4.182 50 0 aggregator EIAARN Clc1ccccc1CN(Cc1ccccc1)c1ncnc2nc[nH]c21 ZINC000018283856 563851931 /nfs/dbraw/zinc/85/19/31/563851931.db2.gz BVXQOOHENWQFFB-UHFFFAOYSA-N 0 0 349.825 4.213 50 0 EIAARN CCc1nnc(-c2cccc(NC(=O)c3ccc4ncccc4c3)c2)o1 ZINC000175396217 563858939 /nfs/dbraw/zinc/85/89/39/563858939.db2.gz WHQDASGVZQSDGM-UHFFFAOYSA-N 0 0 344.374 4.100 50 0 EIAARN CC[C@H](CO)Nc1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000072048142 563860702 /nfs/dbraw/zinc/86/07/02/563860702.db2.gz KNOMMCFMEBSBMY-CQSZACIVSA-N 0 0 339.464 4.419 50 0 EIAARN FC(F)(F)c1cccc(N2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000022530531 563863198 /nfs/dbraw/zinc/86/31/98/563863198.db2.gz HXZZIAGVFPLQQA-UHFFFAOYSA-N 0 0 347.340 4.173 50 0 EIAARN Nc1nc(Nc2ccc(F)c(Cl)c2)sc1C(=O)c1ccccc1 ZINC000032947850 563864647 /nfs/dbraw/zinc/86/46/47/563864647.db2.gz KSKIIKKSZMQNPV-UHFFFAOYSA-N 0 0 347.802 4.492 50 0 EIAARN Cc1cccc(C)c1Nc1nc(N)c(C(=O)c2ccc(F)cc2)s1 ZINC000032948133 563864961 /nfs/dbraw/zinc/86/49/61/563864961.db2.gz PXCBQSZAPBTOMH-UHFFFAOYSA-N 0 0 341.411 4.456 50 0 EIAARN COc1cc(C)c(NC(=O)N(C)[C@H](C)c2ccccc2)cc1OC ZINC000043403888 563866931 /nfs/dbraw/zinc/86/69/31/563866931.db2.gz UFJDTBFNXPRJEC-CQSZACIVSA-N 0 0 328.412 4.237 50 0 EIAARN CC(=O)c1ccc(N2CCN([C@H](C)c3ccc(F)cc3)CC2)c(F)c1 ZINC000023703075 563867191 /nfs/dbraw/zinc/86/71/91/563867191.db2.gz JBXFAAPVPBGOAM-CQSZACIVSA-N 0 0 344.405 4.051 50 0 EIAARN Cc1noc(C)c1CN(C)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000069893277 563867501 /nfs/dbraw/zinc/86/75/01/563867501.db2.gz GKJDZEBMJLHSLA-IBGZPJMESA-N 0 0 343.377 4.186 50 0 EIAARN CC(C)[C@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000024014504 563868227 /nfs/dbraw/zinc/86/82/27/563868227.db2.gz VYFMCCSXYJMYAG-SFHVURJKSA-N 0 0 341.842 4.063 50 0 EIAARN O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccsc1 ZINC000024033496 563868398 /nfs/dbraw/zinc/86/83/98/563868398.db2.gz PEIQLUPVDBMGOC-UHFFFAOYSA-N 0 0 328.418 4.314 50 0 EIAARN CN(C(=O)CSCc1nc2ccccc2s1)c1ccccc1 ZINC000024043749 563868459 /nfs/dbraw/zinc/86/84/59/563868459.db2.gz JXMSIZYXBMAABR-UHFFFAOYSA-N 0 0 328.462 4.193 50 0 EIAARN O=C(Nc1ccccn1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000024444850 563871652 /nfs/dbraw/zinc/87/16/52/563871652.db2.gz WWKQXWIUXUDMNW-IBGZPJMESA-N 0 0 342.402 4.028 50 0 EIAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(F)c(F)c1 ZINC000024593577 563873216 /nfs/dbraw/zinc/87/32/16/563873216.db2.gz KZKBQBSFJMLWTO-UHFFFAOYSA-N 0 0 334.347 4.171 50 0 EIAARN C[C@@H](NC(=O)c1cccnc1SC(F)F)c1ccccc1F ZINC000024629013 563873468 /nfs/dbraw/zinc/87/34/68/563873468.db2.gz CQGUALXNTNUXGA-SECBINFHSA-N 0 0 326.343 4.026 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)OCc1coc(-c2ccccc2)n1 ZINC000024811495 563875968 /nfs/dbraw/zinc/87/59/68/563875968.db2.gz LJTJEDVJGHSLQD-UHFFFAOYSA-N 0 0 332.359 4.109 50 0 EIAARN Cc1cc(Sc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2n1 ZINC000024832434 563876257 /nfs/dbraw/zinc/87/62/57/563876257.db2.gz UYWQYVZNSYAQNC-UHFFFAOYSA-N 0 0 344.749 4.256 50 0 EIAARN COc1cc(C(=O)Nc2cccc(C)n2)cc(Cl)c1OCC(C)C ZINC000024838460 563876646 /nfs/dbraw/zinc/87/66/46/563876646.db2.gz ZZGRSHCRWYXWSB-UHFFFAOYSA-N 0 0 348.830 4.339 50 0 EIAARN C[C@@H]1CCc2nc(NC(=O)CCCC(=O)c3cccs3)sc2C1 ZINC000024843017 563876962 /nfs/dbraw/zinc/87/69/62/563876962.db2.gz AWAQAEZAGDJXEX-LLVKDONJSA-N 0 0 348.493 4.321 50 0 EIAARN O=C(NC1CC1)c1ccc(Oc2ccc(-c3ccccc3)cc2)nc1 ZINC000024990670 563879393 /nfs/dbraw/zinc/87/93/93/563879393.db2.gz ORAUMGVSMBKSDJ-UHFFFAOYSA-N 0 0 330.387 4.433 50 0 EIAARN O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc2ncsc2c1 ZINC000024990101 563879484 /nfs/dbraw/zinc/87/94/84/563879484.db2.gz GKJKSCPMBLFDNE-MNOVXSKESA-N 0 0 328.359 4.147 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1 ZINC000025056532 563880557 /nfs/dbraw/zinc/88/05/57/563880557.db2.gz DLBJHIHWLGFUJW-CYBMUJFWSA-N 0 0 343.496 4.244 50 0 EIAARN CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000025107074 563880871 /nfs/dbraw/zinc/88/08/71/563880871.db2.gz FWEXHKVKXRWGJO-UHFFFAOYSA-N 0 0 347.871 4.309 50 0 EIAARN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1csc2c1CCCC2 ZINC000025144275 563881308 /nfs/dbraw/zinc/88/13/08/563881308.db2.gz ATFTWFJHXJBMGS-WDEREUQCSA-N 0 0 331.403 4.478 50 0 EIAARN O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025372729 563883926 /nfs/dbraw/zinc/88/39/26/563883926.db2.gz ZKJXQHVYUKWQEA-OAHLLOKOSA-N 0 0 339.819 4.005 50 0 EIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c(Cl)c1 ZINC000025368317 563884110 /nfs/dbraw/zinc/88/41/10/563884110.db2.gz IFVGAZUAMRPDOQ-CYBMUJFWSA-N 0 0 341.885 4.236 50 0 EIAARN Cc1oc(C)c(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)c1C ZINC000025388566 563884304 /nfs/dbraw/zinc/88/43/04/563884304.db2.gz RKOLAZBWQAYMRB-UHFFFAOYSA-N 0 0 328.412 4.442 50 0 EIAARN CC(=O)N(c1nnc(S[C@H](C)c2ccc(F)cc2)s1)C1CC1 ZINC000025772394 563888349 /nfs/dbraw/zinc/88/83/49/563888349.db2.gz XBXQIGQFVQESJX-SECBINFHSA-N 0 0 337.445 4.046 50 0 EIAARN O=C(NCCSCc1ccccc1)c1cc(-c2cccs2)on1 ZINC000026064435 563889789 /nfs/dbraw/zinc/88/97/89/563889789.db2.gz DUEVUEURNKNNMD-UHFFFAOYSA-N 0 0 344.461 4.066 50 0 EIAARN Cc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)sc1C ZINC000026383388 563891483 /nfs/dbraw/zinc/89/14/83/563891483.db2.gz BEJNJZULHSOYJO-SFHVURJKSA-N 0 0 345.464 4.263 50 0 EIAARN CCCc1ccc([C@H](NC(=O)Cc2csc(C)n2)C(C)C)cc1 ZINC000026792359 563893455 /nfs/dbraw/zinc/89/34/55/563893455.db2.gz ZQEWENLMPYYQIZ-LJQANCHMSA-N 0 0 330.497 4.460 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)OCc1ccc(Cl)nc1 ZINC000026934559 563894149 /nfs/dbraw/zinc/89/41/49/563894149.db2.gz JNRRMCVQFZTTFI-UHFFFAOYSA-N 0 0 342.782 4.066 50 0 EIAARN O=C(NCc1ccccc1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953207 563894991 /nfs/dbraw/zinc/89/49/91/563894991.db2.gz YGGGEAXHIDOWJG-UHFFFAOYSA-N 0 0 339.398 4.227 50 0 EIAARN CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccccc1OC(F)F ZINC000027358973 563895293 /nfs/dbraw/zinc/89/52/93/563895293.db2.gz AIWYZKLPLMRURD-HNNXBMFYSA-N 0 0 335.350 4.178 50 0 EIAARN COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2nc(C)cs2)cc1 ZINC000072271458 563896215 /nfs/dbraw/zinc/89/62/15/563896215.db2.gz TXDBEYKKWRXSBO-YOEHRIQHSA-N 0 0 344.480 4.317 50 0 EIAARN O=C(N[C@@H]1CCOc2ccccc21)c1cccc2c3c([nH]c21)CCCC3 ZINC000027602340 563897646 /nfs/dbraw/zinc/89/76/46/563897646.db2.gz YQZKXFWPUHRHEM-LJQANCHMSA-N 0 0 346.430 4.300 50 0 EIAARN CC(=O)c1ccccc1OCCSc1nc(-c2ccccc2)c[nH]1 ZINC000027660067 563898114 /nfs/dbraw/zinc/89/81/14/563898114.db2.gz BPUUVWBAIBEFHH-UHFFFAOYSA-N 0 0 338.432 4.450 50 0 EIAARN CCc1nonc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000027663370 563898361 /nfs/dbraw/zinc/89/83/61/563898361.db2.gz OHLCIWDFQABVHX-UHFFFAOYSA-N 0 0 342.207 4.406 50 0 EIAARN C[C@H](NC(=O)COc1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000027676239 563898880 /nfs/dbraw/zinc/89/88/80/563898880.db2.gz BGFYOMNOOFYDNV-PGBBXINNSA-N 0 0 349.421 4.065 50 0 EIAARN COc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 ZINC000027748875 563899313 /nfs/dbraw/zinc/89/93/13/563899313.db2.gz UEPYKHPIMNCMLL-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN Cc1cc(O)c(C2=Nc3ccccc3N[C@H](c3ccccc3)C2)c(=O)o1 ZINC000027788831 563899484 /nfs/dbraw/zinc/89/94/84/563899484.db2.gz FSFIRJLWWZQBAR-KRWDZBQOSA-N 0 0 346.386 4.332 50 0 EIAARN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1Cl ZINC000028189108 563901524 /nfs/dbraw/zinc/90/15/24/563901524.db2.gz ZLWYQEBNNIBTKE-UHFFFAOYSA-N 0 0 347.827 4.114 50 0 EIAARN CCCn1c2c(c(SCc3ccccc3Cl)nc1=O)CCC2 ZINC000028286768 563902035 /nfs/dbraw/zinc/90/20/35/563902035.db2.gz MWPCWKLSEHOXBD-UHFFFAOYSA-N 0 0 334.872 4.088 50 0 EIAARN Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)c1 ZINC000028287471 563902054 /nfs/dbraw/zinc/90/20/54/563902054.db2.gz SXVUKCUMSFYQLK-UHFFFAOYSA-N 0 0 340.354 4.115 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)COc2cccc(Cl)c2)cc1 ZINC000028318598 563902487 /nfs/dbraw/zinc/90/24/87/563902487.db2.gz HKVJFYXHDMPMHD-GOSISDBHSA-N 0 0 345.826 4.091 50 0 EIAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000029330297 563905846 /nfs/dbraw/zinc/90/58/46/563905846.db2.gz QCMVBUSYTGETLH-UHFFFAOYSA-N 0 0 349.365 4.234 50 0 EIAARN CC(C)OCc1c2ccccc2oc1C(=O)Nc1cccc(CO)c1 ZINC000070748720 563909083 /nfs/dbraw/zinc/90/90/83/563909083.db2.gz QEKLFNSMQSKWNM-UHFFFAOYSA-N 0 0 339.391 4.102 50 0 EIAARN O=C1CCCc2cc(-c3csc(NCc4ccco4)n3)ccc2N1 ZINC000030446948 563909769 /nfs/dbraw/zinc/90/97/69/563909769.db2.gz QQYAMPAJVUJKNT-UHFFFAOYSA-N 0 0 339.420 4.290 50 0 EIAARN CC(C)N(Cn1nc(-c2cccs2)n(C2CC2)c1=S)C1CC1 ZINC000030587257 563910060 /nfs/dbraw/zinc/91/00/60/563910060.db2.gz QIQZUPVUFZEIGW-UHFFFAOYSA-N 0 0 334.514 4.308 50 0 EIAARN Brc1ccc([C@H](NCc2ccon2)c2ccccc2)cc1 ZINC000072293929 563910722 /nfs/dbraw/zinc/91/07/22/563910722.db2.gz WKWBEPHRGHDDOC-QGZVFWFLSA-N 0 0 343.224 4.316 50 0 EIAARN Cc1cc(C(=O)Nc2cnccc2-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000072295895 563912208 /nfs/dbraw/zinc/91/22/08/563912208.db2.gz XOZVZUPQMJNKSF-UHFFFAOYSA-N 0 0 346.312 4.051 50 0 EIAARN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3F)C2)n1 ZINC000072298729 563912406 /nfs/dbraw/zinc/91/24/06/563912406.db2.gz VUTUWMYMQLCZQA-FVQBIDKESA-N 0 0 344.455 4.100 50 0 EIAARN Cc1ccc2c(=O)cc(C(=O)Nc3cccc4cccnc43)oc2c1C ZINC000032623261 563914172 /nfs/dbraw/zinc/91/41/72/563914172.db2.gz MNZLNDLIWJIQJG-UHFFFAOYSA-N 0 0 344.370 4.210 50 0 EIAARN Cc1ccnc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000000000623 563914290 /nfs/dbraw/zinc/91/42/90/563914290.db2.gz ASFKKFRSMGBFRO-INIZCTEOSA-N 0 0 344.414 4.363 50 0 in-man EIAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000033086827 563914821 /nfs/dbraw/zinc/91/48/21/563914821.db2.gz VJBPFXDNOAFDSD-JRQWYPPZSA-N 0 0 342.483 4.425 50 0 EIAARN CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258006 563915417 /nfs/dbraw/zinc/91/54/17/563915417.db2.gz CTDUDQATOHUCRP-UHFFFAOYSA-N 0 0 332.407 4.027 50 0 EIAARN CC(C)CC(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000032960851 563916678 /nfs/dbraw/zinc/91/66/78/563916678.db2.gz IRDAHVXYWILHNL-UHFFFAOYSA-N 0 0 335.451 4.343 50 0 EIAARN CC1(C)C(c2ccccc2)=N[C@H](c2ccc(Br)cc2)N1O ZINC000000275599 563917229 /nfs/dbraw/zinc/91/72/29/563917229.db2.gz DKJVLZWBRSUBKC-INIZCTEOSA-N 0 0 345.240 4.420 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000277252 563917257 /nfs/dbraw/zinc/91/72/57/563917257.db2.gz YJUKWTYRJQOSHV-VAWYXSNFSA-N 0 0 329.359 4.475 50 0 EIAARN COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000000318776 563917315 /nfs/dbraw/zinc/91/73/15/563917315.db2.gz GIPYZJLLGGYENI-UHFFFAOYSA-N 0 0 347.823 4.303 50 0 EIAARN COc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000452413 563917484 /nfs/dbraw/zinc/91/74/84/563917484.db2.gz AOIINRJNLUYCDA-UHFFFAOYSA-N 0 0 331.799 4.259 50 0 EIAARN Cc1nc(-c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)cs1 ZINC000000452535 563917500 /nfs/dbraw/zinc/91/75/00/563917500.db2.gz VVMWKPWLXYGOPS-UHFFFAOYSA-N 0 0 344.461 4.228 50 0 EIAARN CC(C)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000000613441 563917688 /nfs/dbraw/zinc/91/76/88/563917688.db2.gz GZJADIFHWXTIIX-QGZVFWFLSA-N 0 0 340.448 4.252 50 0 EIAARN CC(C)C(=O)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000001004232 563917799 /nfs/dbraw/zinc/91/77/99/563917799.db2.gz LIBAFWXHIPSMMP-UHFFFAOYSA-N 0 0 330.771 4.448 50 0 EIAARN CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cccc(Cl)c1Cl ZINC000022780425 563918638 /nfs/dbraw/zinc/91/86/38/563918638.db2.gz UKSJJGUEFDJHHY-XOKHGSTOSA-N 0 0 342.266 4.208 50 0 EIAARN C[C@@H](SCc1ccccc1)C(=O)N1CC[C@@H]1Cc1ccccc1 ZINC000072311740 563920095 /nfs/dbraw/zinc/92/00/95/563920095.db2.gz GRVUBYRKRNDGTC-VQIMIIECSA-N 0 0 325.477 4.152 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000032971470 563920145 /nfs/dbraw/zinc/92/01/45/563920145.db2.gz SNGRTZZCBHMYER-ZDUSSCGKSA-N 0 0 345.402 4.205 50 0 EIAARN CN(C)c1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000032975367 563920533 /nfs/dbraw/zinc/92/05/33/563920533.db2.gz ZRXLCEZNYCZAGX-UHFFFAOYSA-N 0 0 333.313 4.488 50 0 EIAARN COc1cc(C(=O)N2CCSc3ccccc32)cc(Cl)c1OC ZINC000032997857 563921853 /nfs/dbraw/zinc/92/18/53/563921853.db2.gz CTIJHXPISGXHGI-UHFFFAOYSA-N 0 0 349.839 4.110 50 0 EIAARN COc1cccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)c1 ZINC000097938572 563922912 /nfs/dbraw/zinc/92/29/12/563922912.db2.gz YOWZNUBZFPPPNZ-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN Cc1cc(Br)ccc1N(C)C(=O)c1ccc(Cl)cn1 ZINC000119273030 563924666 /nfs/dbraw/zinc/92/46/66/563924666.db2.gz ONXSTZGUJOFXIP-UHFFFAOYSA-N 0 0 339.620 4.083 50 0 EIAARN c1ccc(CNc2ncccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000033004282 563924687 /nfs/dbraw/zinc/92/46/87/563924687.db2.gz MOLFRKIPZBRSBF-UHFFFAOYSA-N 0 0 328.375 4.411 50 0 EIAARN CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(-c2ccsc2)c1 ZINC000071862717 563929204 /nfs/dbraw/zinc/92/92/04/563929204.db2.gz YDNPDUOBUGOADB-AWEZNQCLSA-N 0 0 330.453 4.305 50 0 EIAARN CCn1nc(C)c(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000071862891 563929240 /nfs/dbraw/zinc/92/92/40/563929240.db2.gz OHAMSKFOOYDVPU-SNVBAGLBSA-N 0 0 339.361 4.030 50 0 EIAARN Cc1nn(C)c(C)c1-c1ccnc(N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000048090867 563930011 /nfs/dbraw/zinc/93/00/11/563930011.db2.gz NNECGRABUIPGPH-NSHDSACASA-N 0 0 341.846 4.320 50 0 EIAARN Cc1nn(C)cc1-c1ccnc(NCc2cc(Cl)ccc2Cl)n1 ZINC000048159202 563930018 /nfs/dbraw/zinc/93/00/18/563930018.db2.gz OENBMQISYYEHRK-UHFFFAOYSA-N 0 0 348.237 4.104 50 0 EIAARN Fc1ccc(-c2nn3c(nnc3-c3cccs3)s2)cc1Cl ZINC000013690110 563931794 /nfs/dbraw/zinc/93/17/94/563931794.db2.gz BMGOHTFPGWNVGG-UHFFFAOYSA-N 0 0 336.804 4.374 50 0 EIAARN Cc1csc(C(C)(C)NCc2coc(-c3ccc(F)c(F)c3)n2)n1 ZINC000071911971 563932195 /nfs/dbraw/zinc/93/21/95/563932195.db2.gz MXTGPYUNBVTKQY-UHFFFAOYSA-N 0 0 349.406 4.410 50 0 EIAARN CCc1cccc(CC)c1NC(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000071911709 563932272 /nfs/dbraw/zinc/93/22/72/563932272.db2.gz YBJHXZGEJYSFMF-UHFFFAOYSA-N 0 0 349.438 4.095 50 0 EIAARN CCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21 ZINC000013765484 563932808 /nfs/dbraw/zinc/93/28/08/563932808.db2.gz WTFHKZSNXZRVNV-UHFFFAOYSA-N 0 0 349.217 4.414 50 0 EIAARN COc1ccc(C(=O)CCNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000004622402 563934882 /nfs/dbraw/zinc/93/48/82/563934882.db2.gz YETLWUFVXWWPOU-UHFFFAOYSA-N 0 0 339.313 4.279 50 0 EIAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Br)cc2)o1 ZINC000033049077 563935382 /nfs/dbraw/zinc/93/53/82/563935382.db2.gz GEQKDQWWNZDTAV-UHFFFAOYSA-N 0 0 347.168 4.258 50 0 EIAARN O=C(c1ccccc1F)N1CCC(Nc2ccc3ccccc3n2)CC1 ZINC000058011477 563936629 /nfs/dbraw/zinc/93/66/29/563936629.db2.gz UBFFXGYBHPNRGQ-UHFFFAOYSA-N 0 0 349.409 4.091 50 0 EIAARN O=C(NCC1(c2ccccc2)CCC1)c1csc(-c2ccco2)n1 ZINC000058061394 563937102 /nfs/dbraw/zinc/93/71/02/563937102.db2.gz RGKKSKYGDAIOLL-UHFFFAOYSA-N 0 0 338.432 4.255 50 0 EIAARN CCc1sc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1C ZINC000058081230 563937194 /nfs/dbraw/zinc/93/71/94/563937194.db2.gz AGCJZXYTWDSSNV-UHFFFAOYSA-N 0 0 325.437 4.116 50 0 EIAARN CN1CCN(C(=O)Nc2cccc3c2CCCC3)[C@@H](c2ccccc2)C1 ZINC000058077662 563937205 /nfs/dbraw/zinc/93/72/05/563937205.db2.gz DTUMMFCGCBHJHQ-OAQYLSRUSA-N 0 0 349.478 4.086 50 0 EIAARN CN(C)c1ncccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000058137395 563937641 /nfs/dbraw/zinc/93/76/41/563937641.db2.gz BDVHQQXQWXZIAJ-UHFFFAOYSA-N 0 0 331.375 4.299 50 0 EIAARN CC(C)OCc1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000058158478 563938167 /nfs/dbraw/zinc/93/81/67/563938167.db2.gz BFGMBFMCRBKRJL-HXUWFJFHSA-N 0 0 338.451 4.043 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@H]2c2cccs2)c1C ZINC000058161266 563938376 /nfs/dbraw/zinc/93/83/76/563938376.db2.gz XIIZHANUUHWHCE-DZGCQCFKSA-N 0 0 344.480 4.304 50 0 EIAARN O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1cccs1 ZINC000058161095 563938424 /nfs/dbraw/zinc/93/84/24/563938424.db2.gz KTMIAAHNVOOMBQ-ZDUSSCGKSA-N 0 0 328.418 4.394 50 0 EIAARN O=C(Nc1ccc2ccccc2n1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000058201797 563939663 /nfs/dbraw/zinc/93/96/63/563939663.db2.gz XQBDOMGGLJAKLA-UHFFFAOYSA-N 0 0 332.338 4.016 50 0 EIAARN Cc1[nH]nc2nc(C)cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)c12 ZINC000058218802 563940195 /nfs/dbraw/zinc/94/01/95/563940195.db2.gz QYAGQLOVIJWEEC-KRWDZBQOSA-N 0 0 336.439 4.092 50 0 EIAARN Cc1c(NC(=O)C[C@@H](C)c2ccc(F)cc2)n[nH]c1-c1ccncc1 ZINC000058228044 563940356 /nfs/dbraw/zinc/94/03/56/563940356.db2.gz DVYMVHGPUAREMX-GFCCVEGCSA-N 0 0 338.386 4.052 50 0 EIAARN CCOC1CCN(C(=O)c2csc(-c3ccc(C)cc3C)n2)CC1 ZINC000058264968 563941047 /nfs/dbraw/zinc/94/10/47/563941047.db2.gz JIFSBCMMIFUJNE-UHFFFAOYSA-N 0 0 344.480 4.068 50 0 EIAARN O=C(CCc1ccccc1O)Nc1ccc(Nc2ccccc2)nc1 ZINC000058264523 563941051 /nfs/dbraw/zinc/94/10/51/563941051.db2.gz CPKQBRDEXYAREN-UHFFFAOYSA-N 0 0 333.391 4.102 50 0 EIAARN O=C(Nc1ccc(-c2nnco2)cc1)C1(c2cccc(Cl)c2)CC1 ZINC000058267627 563941266 /nfs/dbraw/zinc/94/12/66/563941266.db2.gz CYTZLOKDWDHNNT-UHFFFAOYSA-N 0 0 339.782 4.060 50 0 EIAARN COc1cccc(C[S@@](=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000058282222 563941543 /nfs/dbraw/zinc/94/15/43/563941543.db2.gz RUDBOMUORPUAGQ-JOCHJYFZSA-N 0 0 328.355 4.163 50 0 EIAARN CCC[C@H](NC(=O)c1csnn1)c1ccc(Cl)c(Cl)c1 ZINC000058295517 563941990 /nfs/dbraw/zinc/94/19/90/563941990.db2.gz UOEWFDNXERSMRR-NSHDSACASA-N 0 0 330.240 4.116 50 0 EIAARN COC(=O)c1cccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)c1 ZINC000058305213 563942104 /nfs/dbraw/zinc/94/21/04/563942104.db2.gz MCCWFDOTSQADTK-QGZVFWFLSA-N 0 0 343.448 4.196 50 0 EIAARN O=C(NOCc1ccccc1)c1sccc1-c1ccc(F)cc1 ZINC000058305363 563942113 /nfs/dbraw/zinc/94/21/13/563942113.db2.gz DRQHALXHGZTDTC-UHFFFAOYSA-N 0 0 327.380 4.416 50 0 EIAARN O=C(c1csc(-c2ccccn2)n1)N1CCC[C@H]1Cc1ccccc1 ZINC000058314199 563942248 /nfs/dbraw/zinc/94/22/48/563942248.db2.gz XTRYKSZSIKGCSK-INIZCTEOSA-N 0 0 349.459 4.052 50 0 EIAARN COc1ccc(N(C(=O)Cc2ccc(Cl)cc2)C(C)C)cc1F ZINC000058324094 563942523 /nfs/dbraw/zinc/94/25/23/563942523.db2.gz JPRDNRDDRSTXME-UHFFFAOYSA-N 0 0 335.806 4.472 50 0 EIAARN Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000058343458 563943058 /nfs/dbraw/zinc/94/30/58/563943058.db2.gz QDIKYPLLOOXBEH-CQSZACIVSA-N 0 0 329.469 4.121 50 0 EIAARN O=C(Cc1ccc2ccccc2c1)NCCc1cccc2cccnc21 ZINC000058366887 563943836 /nfs/dbraw/zinc/94/38/36/563943836.db2.gz WNVDTEUMVNHSGZ-UHFFFAOYSA-N 0 0 340.426 4.289 50 0 EIAARN O=C(c1ccc2ccccc2n1)N1CCC(OCc2ccccc2)CC1 ZINC000058367109 563943839 /nfs/dbraw/zinc/94/38/39/563943839.db2.gz YUZMLJRWPGKERE-UHFFFAOYSA-N 0 0 346.430 4.056 50 0 EIAARN CC1(C)Oc2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2O1 ZINC000058370099 563944080 /nfs/dbraw/zinc/94/40/80/563944080.db2.gz WYWLEIUHDDCZCO-UHFFFAOYSA-N 0 0 334.375 4.237 50 0 EIAARN O=C(Nc1ncccc1O)c1cc2ccccc2n1Cc1ccccc1 ZINC000058377854 563944180 /nfs/dbraw/zinc/94/41/80/563944180.db2.gz WHNWVDVJPRHZPT-UHFFFAOYSA-N 0 0 343.386 4.043 50 0 EIAARN Cc1nc(-c2ncccn2)sc1C(=O)N(C)C1CCCCCCC1 ZINC000058392365 563944678 /nfs/dbraw/zinc/94/46/78/563944678.db2.gz GVDQXRJMXXGYFK-UHFFFAOYSA-N 0 0 344.484 4.093 50 0 EIAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)NOCc3ccccc3)c2C1 ZINC000058393951 563944712 /nfs/dbraw/zinc/94/47/12/563944712.db2.gz UZYRLSUTIIANET-OAHLLOKOSA-N 0 0 346.430 4.221 50 0 EIAARN CN(C)c1c(Cl)cccc1NC(=O)Cc1cccc2cccnc21 ZINC000058397647 563944884 /nfs/dbraw/zinc/94/48/84/563944884.db2.gz ADVQBTQKMMAFKL-UHFFFAOYSA-N 0 0 339.826 4.135 50 0 EIAARN CCCc1noc([C@H](C)Nc2cccc(NC(=O)OCC)c2C)n1 ZINC000058440265 563946516 /nfs/dbraw/zinc/94/65/16/563946516.db2.gz PERCBRGRHSYTCR-LBPRGKRZSA-N 0 0 332.404 4.072 50 0 EIAARN Cc1nnc(COC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 ZINC000058738784 563947169 /nfs/dbraw/zinc/94/71/69/563947169.db2.gz GRGVZJWJHDWYJQ-UHFFFAOYSA-N 0 0 346.427 4.036 50 0 EIAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)C(C)(C)c1ccccc1 ZINC000060106382 563949686 /nfs/dbraw/zinc/94/96/86/563949686.db2.gz RZGIIQSEXMMFNY-UHFFFAOYSA-N 0 0 347.418 4.494 50 0 EIAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cn3)o2)c(C)c1 ZINC000060380954 563950254 /nfs/dbraw/zinc/95/02/54/563950254.db2.gz GVKMGVZTTAYBRK-UHFFFAOYSA-N 0 0 340.354 4.262 50 0 EIAARN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2cscn2)o1 ZINC000096433267 563952854 /nfs/dbraw/zinc/95/28/54/563952854.db2.gz BQEKFOZILFVDTB-CZUORRHYSA-N 0 0 332.469 4.231 50 0 EIAARN Cc1ncsc1COC(=O)c1ncoc1-c1ccccc1Cl ZINC000096441910 563953124 /nfs/dbraw/zinc/95/31/24/563953124.db2.gz JADFCIURTMYYTP-UHFFFAOYSA-N 0 0 334.784 4.117 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000096440877 563953318 /nfs/dbraw/zinc/95/33/18/563953318.db2.gz MZSHWWSLFRYNJG-CZUORRHYSA-N 0 0 345.418 4.083 50 0 EIAARN Cc1noc(C)c1[C@H](C)NC(=O)N(Cc1ccccc1F)C1CCC1 ZINC000096467170 563954244 /nfs/dbraw/zinc/95/42/44/563954244.db2.gz LGOIFXSDZHOEBJ-LBPRGKRZSA-N 0 0 345.418 4.256 50 0 EIAARN Cc1cc(C(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)on1 ZINC000096468347 563954392 /nfs/dbraw/zinc/95/43/92/563954392.db2.gz PPQGTLGBYJHMSE-ZDUSSCGKSA-N 0 0 341.436 4.248 50 0 EIAARN COc1cccc(F)c1[C@@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000096478597 563955081 /nfs/dbraw/zinc/95/50/81/563955081.db2.gz KQVKRGFXFMVTSU-CHWSQXEVSA-N 0 0 330.403 4.205 50 0 EIAARN COc1cc(CN2CCC[C@H]2c2cc(C)no2)ccc1OC(C)C ZINC000064666854 563956937 /nfs/dbraw/zinc/95/69/37/563956937.db2.gz ASJSCSDLEOLLMF-INIZCTEOSA-N 0 0 330.428 4.116 50 0 EIAARN COc1cc(CN2CCC[C@@H]2c2cc(C)no2)ccc1OC(C)C ZINC000064666857 563956977 /nfs/dbraw/zinc/95/69/77/563956977.db2.gz ASJSCSDLEOLLMF-MRXNPFEDSA-N 0 0 330.428 4.116 50 0 EIAARN COc1ccc(OC)c(CN2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000064667130 563957003 /nfs/dbraw/zinc/95/70/03/563957003.db2.gz XFVCBPLWJSOJTP-KRWDZBQOSA-N 0 0 330.428 4.152 50 0 EIAARN CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000065365272 563958247 /nfs/dbraw/zinc/95/82/47/563958247.db2.gz XGLAPSBVUXACDC-KRWDZBQOSA-N 0 0 349.459 4.377 50 0 EIAARN CCOc1ccc(-c2c[nH]c(-c3cnc(-c4ccco4)nc3)n2)cc1 ZINC000065373525 563958704 /nfs/dbraw/zinc/95/87/04/563958704.db2.gz NQWOZTRWHMMZJU-UHFFFAOYSA-N 0 0 332.363 4.192 50 0 EIAARN Cc1nc([C@@H](C)N(C)Cc2cccn2-c2nccs2)c(C)s1 ZINC000065375147 563958785 /nfs/dbraw/zinc/95/87/85/563958785.db2.gz JNHDRFOJITXRQK-LLVKDONJSA-N 0 0 332.498 4.200 50 0 EIAARN Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2Cc2ccoc2)n1 ZINC000065385377 563959195 /nfs/dbraw/zinc/95/91/95/563959195.db2.gz NYEAEEPSJZBASU-UHFFFAOYSA-N 0 0 346.434 4.247 50 0 EIAARN Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)cn1 ZINC000065395067 563959513 /nfs/dbraw/zinc/95/95/13/563959513.db2.gz GPEAAOZIQVWJIH-UHFFFAOYSA-N 0 0 342.402 4.069 50 0 EIAARN Cc1nn(C)c2c1[C@H](/C=C/C=C/c1ccc(Cl)cc1)CC(=O)N2 ZINC000065398029 563959848 /nfs/dbraw/zinc/95/98/48/563959848.db2.gz VMDDOPAQMUYEJK-SBRPLTKKSA-N 0 0 327.815 4.077 50 0 EIAARN Cn1ccnc1Cn1cnc(-c2ccccc2)c1CCc1ccccc1 ZINC000065406423 563960203 /nfs/dbraw/zinc/96/02/03/563960203.db2.gz NWGLRSPNVDIJCA-UHFFFAOYSA-N 0 0 342.446 4.117 50 0 EIAARN Cc1ccc(NC2(C(=O)N(C)CCC[C@H]3CCCO3)CCCC2)cc1 ZINC000065406368 563960236 /nfs/dbraw/zinc/96/02/36/563960236.db2.gz SSUWGHUCBPEIQY-IBGZPJMESA-N 0 0 344.499 4.137 50 0 EIAARN Cc1c2ccccc2sc1[C@@H]1CC(=O)NCc2nc3ccccn3c21 ZINC000065426970 563960632 /nfs/dbraw/zinc/96/06/32/563960632.db2.gz CFCXXPISYHUEPC-CQSZACIVSA-N 0 0 347.443 4.009 50 0 EIAARN O=C1C[C@@H](c2ccsc2)c2cnn(Cc3ccccc3Cl)c2N1 ZINC000065428855 563960667 /nfs/dbraw/zinc/96/06/67/563960667.db2.gz IHBWAACRQLFANZ-ZDUSSCGKSA-N 0 0 343.839 4.120 50 0 EIAARN CC(C)Cc1c(-c2ccccc2)ncn1CCSc1nccn1C ZINC000065454857 563961092 /nfs/dbraw/zinc/96/10/92/563961092.db2.gz ZIJHAFFREUBLGR-UHFFFAOYSA-N 0 0 340.496 4.274 50 0 EIAARN CCn1ccnc1-c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000156986348 563962237 /nfs/dbraw/zinc/96/22/37/563962237.db2.gz IZRAEQIHYHEGOI-UHFFFAOYSA-N 0 0 327.334 4.101 50 0 EIAARN Cc1cc(N2CCC[C@H](c3cc[nH]n3)C2)nc2cc(Cl)ccc12 ZINC000067850467 563962859 /nfs/dbraw/zinc/96/28/59/563962859.db2.gz DJOSKXAWGSLHMS-ZDUSSCGKSA-N 0 0 326.831 4.304 50 0 EIAARN CCOc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000033191900 563964718 /nfs/dbraw/zinc/96/47/18/563964718.db2.gz NGUZZPUKVLBPAD-LLVKDONJSA-N 0 0 339.844 4.056 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(F)(F)F)cc12 ZINC000033069251 563963387 /nfs/dbraw/zinc/96/33/87/563963387.db2.gz FFTBULHOOXTLPQ-UHFFFAOYSA-N 0 0 340.326 4.115 50 0 EIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1 ZINC000033086164 563963477 /nfs/dbraw/zinc/96/34/77/563963477.db2.gz MXFKFRFWKKIVLJ-UHFFFAOYSA-N 0 0 340.814 4.357 50 0 EIAARN CC(=O)Nc1nc2cc(NC(=O)Nc3cccc(F)c3)ccc2s1 ZINC000033129468 563963643 /nfs/dbraw/zinc/96/36/43/563963643.db2.gz YZWVWRZYGNMCBQ-UHFFFAOYSA-N 0 0 344.371 4.038 50 0 EIAARN CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC000165668198 563963974 /nfs/dbraw/zinc/96/39/74/563963974.db2.gz WNWZDFQEZBGBNM-UHFFFAOYSA-N 0 0 329.799 4.257 50 0 EIAARN O=C(C1CC1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000071315491 563964149 /nfs/dbraw/zinc/96/41/49/563964149.db2.gz HFLOYTCUINEZAG-UHFFFAOYSA-N 0 0 343.430 4.038 50 0 EIAARN Cc1ccncc1C(=O)NCc1cccnc1Oc1c(C)cccc1C ZINC000071315621 563964158 /nfs/dbraw/zinc/96/41/58/563964158.db2.gz RWARGYSIWIHEAD-UHFFFAOYSA-N 0 0 347.418 4.124 50 0 EIAARN CCc1nc(-c2nccn2[C@@H](CC)c2nc3cc(C)ccc3[nH]2)c(C)[nH]1 ZINC000071388564 563964265 /nfs/dbraw/zinc/96/42/65/563964265.db2.gz KVNZRKNLCSDYGT-INIZCTEOSA-N 0 0 348.454 4.328 50 0 EIAARN Nc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1 ZINC000071405227 563964282 /nfs/dbraw/zinc/96/42/82/563964282.db2.gz VWAHTMSGGLSAQM-UHFFFAOYSA-N 0 0 336.235 4.280 50 0 EIAARN Cc1c2cc(C)cc(CNc3nccc(N)n3)c2[nH]c1-c1ccccc1 ZINC000071524122 563964520 /nfs/dbraw/zinc/96/45/20/563964520.db2.gz CUGBSRSXDONZFO-UHFFFAOYSA-N 0 0 343.434 4.436 50 0 EIAARN C[C@@H](c1cccs1)n1ccnc1-c1ccccc1Cn1cccn1 ZINC000071721671 563964845 /nfs/dbraw/zinc/96/48/45/563964845.db2.gz RWXNFYFXCKULEH-HNNXBMFYSA-N 0 0 334.448 4.466 50 0 EIAARN CCCc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)no1 ZINC000071721683 563964868 /nfs/dbraw/zinc/96/48/68/563964868.db2.gz KAGNZALMOTZBKM-INIZCTEOSA-N 0 0 344.430 4.251 50 0 EIAARN Cc1ncsc1CCn1ccnc1-c1ccc(-n2cccn2)cc1C ZINC000071758955 563965304 /nfs/dbraw/zinc/96/53/04/563965304.db2.gz UCVMROSRBNDNGU-UHFFFAOYSA-N 0 0 349.463 4.052 50 0 EIAARN Cc1nc2cccc(C(=O)N3CCC[C@@H](CCc4ccccc4)C3)c2[nH]1 ZINC000071763177 563965434 /nfs/dbraw/zinc/96/54/34/563965434.db2.gz JTKCCJITVQHFAL-SFHVURJKSA-N 0 0 347.462 4.356 50 0 EIAARN CCc1cc(-c2nccn2Cc2scnc2-c2ccccc2)on1 ZINC000071765604 563965531 /nfs/dbraw/zinc/96/55/31/563965531.db2.gz OBTFGCWEHVDAMS-UHFFFAOYSA-N 0 0 336.420 4.272 50 0 EIAARN CN(Cc1ccc(F)cc1)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000071767329 563965549 /nfs/dbraw/zinc/96/55/49/563965549.db2.gz WDEVAXZJCYZEKG-OAQYLSRUSA-N 0 0 346.405 4.351 50 0 EIAARN Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cccc(O)c2C)C1 ZINC000071767552 563965580 /nfs/dbraw/zinc/96/55/80/563965580.db2.gz CXXCWSOGEWMWRC-SFHVURJKSA-N 0 0 337.463 4.494 50 0 EIAARN O=C(c1ccccc1O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000071777103 563965740 /nfs/dbraw/zinc/96/57/40/563965740.db2.gz LSJFOZDRURZTCH-AWEZNQCLSA-N 0 0 345.389 4.155 50 0 EIAARN Ic1ccccc1-c1nc(-c2ccccc2)no1 ZINC000006704719 563965899 /nfs/dbraw/zinc/96/58/99/563965899.db2.gz BKYODFASOKWLGM-UHFFFAOYSA-N 0 0 348.143 4.008 50 0 EIAARN CCc1ccccc1Nc1nc(N)c(C(=O)c2ccccc2F)s1 ZINC000033251755 563966085 /nfs/dbraw/zinc/96/60/85/563966085.db2.gz ANRKCBLXJIJTMY-UHFFFAOYSA-N 0 0 341.411 4.401 50 0 EIAARN CCc1ccccc1Nc1nc(N)c(C(=O)c2ccc(F)cc2)s1 ZINC000033251783 563966095 /nfs/dbraw/zinc/96/60/95/563966095.db2.gz QMEMTCDSRYKGGF-UHFFFAOYSA-N 0 0 341.411 4.401 50 0 EIAARN Fc1ccc(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000033255357 563966157 /nfs/dbraw/zinc/96/61/57/563966157.db2.gz BIRRSOQRCQJYOW-UHFFFAOYSA-N 0 0 337.398 4.457 50 0 EIAARN Cc1ccccc1-c1nc(-c2ccc(NC(=O)NC(C)C)cc2)no1 ZINC000033257182 563966175 /nfs/dbraw/zinc/96/61/75/563966175.db2.gz ZTBLDAAHJUWEDE-UHFFFAOYSA-N 0 0 336.395 4.242 50 0 EIAARN CC(C)NC(=O)c1cccc(-c2noc(-c3ccc4cc[nH]c4c3)n2)c1 ZINC000033257770 563966238 /nfs/dbraw/zinc/96/62/38/563966238.db2.gz KFJPLJDSWIOWEO-UHFFFAOYSA-N 0 0 346.390 4.023 50 0 EIAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000000031459 563967571 /nfs/dbraw/zinc/96/75/71/563967571.db2.gz XNWQKWRHXIPLEY-UHFFFAOYSA-N 0 0 342.251 4.131 50 0 EIAARN Cc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)cc1 ZINC000000075750 563967612 /nfs/dbraw/zinc/96/76/12/563967612.db2.gz ZGKGUABEGIJTHY-UHFFFAOYSA-N 0 0 332.403 4.002 50 0 EIAARN CCn1ccc2ccc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)cc21 ZINC000097113308 563967883 /nfs/dbraw/zinc/96/78/83/563967883.db2.gz AIGLUNJHBZUHGJ-KRWDZBQOSA-N 0 0 337.427 4.143 50 0 EIAARN CC(C)OCc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000097113195 563967888 /nfs/dbraw/zinc/96/78/88/563967888.db2.gz VGVKBKVYHICXJC-SFHVURJKSA-N 0 0 342.443 4.094 50 0 EIAARN Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1cn2cccnc2n1 ZINC000097111936 563968024 /nfs/dbraw/zinc/96/80/24/563968024.db2.gz XPGZMUJWHGRYDH-ZDUSSCGKSA-N 0 0 349.463 4.012 50 0 EIAARN CC(C)COc1cccc(CNc2nnc(-c3ccccn3)s2)c1 ZINC000097137203 563968124 /nfs/dbraw/zinc/96/81/24/563968124.db2.gz FBEAFXWWMBGWAR-UHFFFAOYSA-N 0 0 340.452 4.247 50 0 EIAARN COc1cccc([C@H]2CCCN2C(=O)c2ccccc2-c2ncc[nH]2)c1 ZINC000077286827 563968687 /nfs/dbraw/zinc/96/86/87/563968687.db2.gz CCGAZSFBRSMOJJ-LJQANCHMSA-N 0 0 347.418 4.063 50 0 EIAARN O=C(c1ccc2ncccc2c1)N1CCC(OCc2ccccc2)CC1 ZINC000077320447 563968919 /nfs/dbraw/zinc/96/89/19/563968919.db2.gz OKQBSSFAFHGJEQ-UHFFFAOYSA-N 0 0 346.430 4.056 50 0 EIAARN Cc1ccsc1C(=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000077321942 563968979 /nfs/dbraw/zinc/96/89/79/563968979.db2.gz DGTXXHKUTXHNLU-CQSZACIVSA-N 0 0 339.464 4.028 50 0 EIAARN Cc1cc(-n2ccnc2-c2cccnc2)ccc1NC(=O)c1ccco1 ZINC000077376000 563969222 /nfs/dbraw/zinc/96/92/22/563969222.db2.gz LOAXWALMJLDMTE-UHFFFAOYSA-N 0 0 344.374 4.088 50 0 EIAARN CN(C(=O)c1cccc(Cn2cccn2)c1)[C@H]1CCCc2ccccc21 ZINC000077375967 563969232 /nfs/dbraw/zinc/96/92/32/563969232.db2.gz UMEXMSPHCHJCAK-NRFANRHFSA-N 0 0 345.446 4.081 50 0 EIAARN Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000077376163 563969235 /nfs/dbraw/zinc/96/92/35/563969235.db2.gz QRYIBEPNASXKOD-QGZVFWFLSA-N 0 0 348.446 4.408 50 0 EIAARN Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)c2c1 ZINC000077407081 563969460 /nfs/dbraw/zinc/96/94/60/563969460.db2.gz YYZJQHBXGFGYBW-GOSISDBHSA-N 0 0 337.398 4.378 50 0 EIAARN COc1cccc([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)nc3c2)c1 ZINC000077426911 563969632 /nfs/dbraw/zinc/96/96/32/563969632.db2.gz DVVZUAUYHVQHLN-HXUWFJFHSA-N 0 0 349.434 4.247 50 0 EIAARN O=C(c1cccc2nccnc21)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077440910 563969707 /nfs/dbraw/zinc/96/97/07/563969707.db2.gz ZUFWGAWZBSDYCP-SFHVURJKSA-N 0 0 335.382 4.136 50 0 EIAARN CSc1ncccc1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077472169 563969945 /nfs/dbraw/zinc/96/99/45/563969945.db2.gz YPWLOFALBYGRTJ-MRXNPFEDSA-N 0 0 330.428 4.310 50 0 EIAARN O=C(c1ccc(F)cc1F)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000077505959 563970129 /nfs/dbraw/zinc/97/01/29/563970129.db2.gz MUWZNOCKQSIBJK-ZDUSSCGKSA-N 0 0 349.352 4.035 50 0 EIAARN COc1ccccc1Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000082039295 563971959 /nfs/dbraw/zinc/97/19/59/563971959.db2.gz FOKUZBPFIQUBMI-UHFFFAOYSA-N 0 0 342.402 4.064 50 0 EIAARN COCCC[C@H]1CCCCN1C(=O)c1cc(C)nc2cc(F)ccc21 ZINC000082120504 563972421 /nfs/dbraw/zinc/97/24/21/563972421.db2.gz OXFYXUDGMFVKNS-MRXNPFEDSA-N 0 0 344.430 4.104 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H]2c2nccs2)c2ccc(F)cc2n1 ZINC000082115957 563972423 /nfs/dbraw/zinc/97/24/23/563972423.db2.gz HBMLWTCTAWUWQY-INIZCTEOSA-N 0 0 341.411 4.116 50 0 EIAARN CCN(C(=O)c1cc(C)nc2cc(F)ccc21)[C@H]1CCOC(C)(C)C1 ZINC000082146280 563972702 /nfs/dbraw/zinc/97/27/02/563972702.db2.gz MUTLKAHXYXQBJB-HNNXBMFYSA-N 0 0 344.430 4.102 50 0 EIAARN CCC(C)(C)NC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278903 563972860 /nfs/dbraw/zinc/97/28/60/563972860.db2.gz NUHYNQDNDBJTIN-UHFFFAOYSA-N 0 0 335.407 4.322 50 0 EIAARN O=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCCCC1 ZINC000033278920 563972861 /nfs/dbraw/zinc/97/28/61/563972861.db2.gz JKTKYJDWCZDKMY-UHFFFAOYSA-N 0 0 333.391 4.030 50 0 EIAARN O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@@H]2CCC[C@H]2C1 ZINC000126070179 563973310 /nfs/dbraw/zinc/97/33/10/563973310.db2.gz QANXSWWAONEGPI-KBPBESRZSA-N 0 0 326.362 4.445 50 0 EIAARN CCOc1ccc(NC(=O)/C=C\c2ccc(Br)cc2)cc1 ZINC000033316765 563973638 /nfs/dbraw/zinc/97/36/38/563973638.db2.gz PSUJGUOYKSGDSG-XGICHPGQSA-N 0 0 346.224 4.500 50 0 EIAARN Cc1ccc(C)c(C(=O)c2ccc(CN3CCSCC3)cc2)c1 ZINC000085651262 563973909 /nfs/dbraw/zinc/97/39/09/563973909.db2.gz MISFZSXYERWELH-UHFFFAOYSA-N 0 0 325.477 4.083 50 0 EIAARN O=C(NCc1cccs1)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146841 563973961 /nfs/dbraw/zinc/97/39/61/563973961.db2.gz YRAXPVBYALQGEB-ZDUSSCGKSA-N 0 0 332.450 4.034 50 0 EIAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(O)c1 ZINC000000071938 563974420 /nfs/dbraw/zinc/97/44/20/563974420.db2.gz NBZUXTQDPXLLSI-UHFFFAOYSA-N 0 0 336.391 4.478 50 0 EIAARN Cc1ccc([C@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1 ZINC000000079118 563974591 /nfs/dbraw/zinc/97/45/91/563974591.db2.gz OMSYYHWJVWFEGT-OAHLLOKOSA-N 0 0 339.395 4.270 50 0 EIAARN CC(C)c1ccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000033348191 563974729 /nfs/dbraw/zinc/97/47/29/563974729.db2.gz UFIWDBFTDASEQJ-WQRHYEAKSA-N 0 0 338.382 4.042 50 0 EIAARN CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC(=O)[C@H]1C[C@@H]1C ZINC000072289670 563976304 /nfs/dbraw/zinc/97/63/04/563976304.db2.gz CINXRRCYEJIDJE-QEJZJMRPSA-N 0 0 333.428 4.224 50 0 EIAARN C[C@@H](C(=O)Nc1cccc(Cl)c1SCC(F)F)n1ccnc1 ZINC000072290761 563976433 /nfs/dbraw/zinc/97/64/33/563976433.db2.gz IJSNOFFOYPGMLK-VIFPVBQESA-N 0 0 345.802 4.093 50 0 EIAARN Cc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1 ZINC000000091254 563976554 /nfs/dbraw/zinc/97/65/54/563976554.db2.gz YIJKXESPUJNJGY-UHFFFAOYSA-N 0 0 326.421 4.207 50 0 EIAARN CCNc1nc(C)c(C(=O)N2CCC[C@](C)(c3ccccc3)C2)s1 ZINC000095507922 563977206 /nfs/dbraw/zinc/97/72/06/563977206.db2.gz BIXGVBKDAKQOOT-IBGZPJMESA-N 0 0 343.496 4.077 50 0 EIAARN CC(C)SCCNC(=O)Nc1cccc(NC(=O)C2CCCC2)c1 ZINC000095511075 563977216 /nfs/dbraw/zinc/97/72/16/563977216.db2.gz TWXYUJQHJQCEPC-UHFFFAOYSA-N 0 0 349.500 4.078 50 0 EIAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000095512852 563977278 /nfs/dbraw/zinc/97/72/78/563977278.db2.gz ZGBQGVNWABUPRO-HNNXBMFYSA-N 0 0 344.434 4.234 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)c2c(C)c(C)nc3ccc(C)cc32)no1 ZINC000095517639 563977326 /nfs/dbraw/zinc/97/73/26/563977326.db2.gz RQDLLGIJNBZDNN-IBGZPJMESA-N 0 0 349.434 4.434 50 0 EIAARN COCC1(N(C)C(=O)Nc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000095516978 563977338 /nfs/dbraw/zinc/97/73/38/563977338.db2.gz BIPSCLDDCFXYQY-UHFFFAOYSA-N 0 0 340.423 4.005 50 0 EIAARN CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000095529196 563977542 /nfs/dbraw/zinc/97/75/42/563977542.db2.gz KWPMGAAZUXVATQ-LBPRGKRZSA-N 0 0 337.876 4.199 50 0 EIAARN O=C(Nc1cccc(-c2cccc(F)c2)c1)N1CCC2(CCO2)CC1 ZINC000096136469 563979402 /nfs/dbraw/zinc/97/94/02/563979402.db2.gz QSKYNIIHQTVDEL-UHFFFAOYSA-N 0 0 340.398 4.280 50 0 EIAARN O=C(NC1CC1)c1ccc(-c2cc(OC(F)(F)F)ccc2Cl)o1 ZINC000096140562 563979553 /nfs/dbraw/zinc/97/95/53/563979553.db2.gz BEESMFHTZVITJY-UHFFFAOYSA-N 0 0 345.704 4.391 50 0 EIAARN Cc1ccc(SCc2ccc(-c3nc([C@@H]4CCOC4)no3)o2)cc1 ZINC000096151593 563979703 /nfs/dbraw/zinc/97/97/03/563979703.db2.gz TZCZFTNJLYZROQ-CYBMUJFWSA-N 0 0 342.420 4.434 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)NCCCC[C@@H]1CCCO1 ZINC000096160019 563979794 /nfs/dbraw/zinc/97/97/94/563979794.db2.gz ZAERXMDVGVDBCI-CYBMUJFWSA-N 0 0 340.851 4.128 50 0 EIAARN CCCO[C@@H]1CCCN(C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000096180670 563980083 /nfs/dbraw/zinc/98/00/83/563980083.db2.gz SHWWBLVBIIDHOZ-MRXNPFEDSA-N 0 0 345.468 4.233 50 0 EIAARN O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000096287842 563980687 /nfs/dbraw/zinc/98/06/87/563980687.db2.gz ZHROHXUSNRXPSJ-ZTFGCOKTSA-N 0 0 339.822 4.413 50 0 EIAARN c1nnc2c(Nc3ccc(N4CCCCC4)cc3)nc3ccccc3n12 ZINC000096487802 563980830 /nfs/dbraw/zinc/98/08/30/563980830.db2.gz DPCDYAJZWZZHBK-UHFFFAOYSA-N 0 0 344.422 4.011 50 0 EIAARN CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccccc1C(F)(F)F ZINC000096723005 563981035 /nfs/dbraw/zinc/98/10/35/563981035.db2.gz XOGNOVLZABFPOR-LBPRGKRZSA-N 0 0 330.350 4.128 50 0 EIAARN C[C@H](CCc1cccn1C)NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000072296943 563981174 /nfs/dbraw/zinc/98/11/74/563981174.db2.gz VBZZWGUEIIEPQV-OAHLLOKOSA-N 0 0 344.886 4.238 50 0 EIAARN Cc1ccc(-c2nc(S[C@@H](C)c3nc(C(C)(C)C)no3)n[nH]2)cc1 ZINC000044111003 563981515 /nfs/dbraw/zinc/98/15/15/563981515.db2.gz DBXOFCNKFKMRFC-NSHDSACASA-N 0 0 343.456 4.314 50 0 EIAARN Fc1ccc(-c2cnc(SCc3nc(-c4ccco4)no3)o2)cc1 ZINC000044127244 563981610 /nfs/dbraw/zinc/98/16/10/563981610.db2.gz JFDDDRRZKSHIML-UHFFFAOYSA-N 0 0 343.339 4.416 50 0 EIAARN c1ccc(-c2ccnc(NCCCc3nc4ccccc4s3)n2)nc1 ZINC000097815255 563981954 /nfs/dbraw/zinc/98/19/54/563981954.db2.gz VNEOQJAQPPIRMP-UHFFFAOYSA-N 0 0 347.447 4.193 50 0 EIAARN COc1ccc2[nH]c(SCc3ccccc3OC(F)F)nc2c1 ZINC000014130016 563983262 /nfs/dbraw/zinc/98/32/62/563983262.db2.gz DBBYKTFZGBOCEX-UHFFFAOYSA-N 0 0 336.363 4.465 50 0 EIAARN C[C@H]1CN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@H](C)O1 ZINC000014171412 563983367 /nfs/dbraw/zinc/98/33/67/563983367.db2.gz KXYHHYSZXVORTQ-KBPBESRZSA-N 0 0 347.499 4.237 50 0 EIAARN C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H](C)O1 ZINC000014171407 563983370 /nfs/dbraw/zinc/98/33/70/563983370.db2.gz KXYHHYSZXVORTQ-ZIAGYGMSSA-N 0 0 347.499 4.237 50 0 EIAARN COc1cc(C(=O)OCc2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000014422951 563984174 /nfs/dbraw/zinc/98/41/74/563984174.db2.gz VUTHLJYXSZUOMQ-UHFFFAOYSA-N 0 0 344.407 4.193 50 0 EIAARN Cc1ccc(CCCC(=O)Nc2cnn(Cc3ccccc3)c2)s1 ZINC000257173520 563984270 /nfs/dbraw/zinc/98/42/70/563984270.db2.gz PNGPZSARXRDAEW-UHFFFAOYSA-N 0 0 339.464 4.263 50 0 EIAARN Cc1cc(C)n(-c2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)n1 ZINC000014608777 563986124 /nfs/dbraw/zinc/98/61/24/563986124.db2.gz GUYKEXODWSHHAD-UHFFFAOYSA-N 0 0 340.452 4.123 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)Oc1ccc(-c2csnn2)cc1 ZINC000000106884 563986470 /nfs/dbraw/zinc/98/64/70/563986470.db2.gz GMRDGQYAOGPVRN-UHFFFAOYSA-N 0 0 331.784 4.469 50 0 EIAARN CCOc1cc(-c2ccc(O)c(OC)c2)cc(=O)c2c(C)oc(C)c21 ZINC000000108368 563986578 /nfs/dbraw/zinc/98/65/78/563986578.db2.gz NBLLKRJJLIALHC-UHFFFAOYSA-N 0 0 340.375 4.190 50 0 biogenic EIAARN COC(=O)c1oc2ccc(Cl)cc2c1NC(=O)c1ccccc1 ZINC000000112206 563986656 /nfs/dbraw/zinc/98/66/56/563986656.db2.gz RVWMZEJQZKQRNC-UHFFFAOYSA-N 0 0 329.739 4.125 50 0 EIAARN CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1cccs1 ZINC000000129188 563986959 /nfs/dbraw/zinc/98/69/59/563986959.db2.gz WGTBUEHVLZQJPX-UHFFFAOYSA-N 0 0 330.796 4.021 50 0 EIAARN Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000000138003 563987051 /nfs/dbraw/zinc/98/70/51/563987051.db2.gz IZOYQNBRDJFJQE-UHFFFAOYSA-N 0 0 347.201 4.084 50 0 EIAARN COc1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1OC ZINC000000144607 563987189 /nfs/dbraw/zinc/98/71/89/563987189.db2.gz KSRFNCZXJKMITL-UHFFFAOYSA-N 0 0 341.436 4.331 50 0 EIAARN Cc1cc(C)c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)o1 ZINC000176319815 563987442 /nfs/dbraw/zinc/98/74/42/563987442.db2.gz ZASNCYOLXRDICE-UHFFFAOYSA-N 0 0 340.404 4.463 50 0 EIAARN O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(O)cc1 ZINC000000180011 563987759 /nfs/dbraw/zinc/98/77/59/563987759.db2.gz MDIIRYZZVTYWPJ-HNNXBMFYSA-N 0 0 340.231 4.478 50 0 EIAARN CC(=O)Oc1ccc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc1 ZINC000000195685 563988252 /nfs/dbraw/zinc/98/82/52/563988252.db2.gz IEGMWQLRFHQMCY-IBGZPJMESA-N 0 0 331.371 4.239 50 0 EIAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccnc1 ZINC000000206281 563988556 /nfs/dbraw/zinc/98/85/56/563988556.db2.gz WQDSXFWYBRIZAT-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CCOc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 ZINC000000210969 563988595 /nfs/dbraw/zinc/98/85/95/563988595.db2.gz JURGVNFHNNXRBX-UHFFFAOYSA-N 0 0 338.432 4.364 50 0 EIAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(OC)cc1 ZINC000000214225 563988631 /nfs/dbraw/zinc/98/86/31/563988631.db2.gz BQSQQRJRLADTAC-UHFFFAOYSA-N 0 0 349.390 4.073 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccc1F ZINC000000214809 563988652 /nfs/dbraw/zinc/98/86/52/563988652.db2.gz BDCZUQMVSWZHCU-AMGHTJPVSA-N 0 0 348.462 4.121 50 0 EIAARN COc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1 ZINC000000217186 563988694 /nfs/dbraw/zinc/98/86/94/563988694.db2.gz MXUIMIRXMOAKOB-UHFFFAOYSA-N 0 0 332.403 4.146 50 0 EIAARN COc1cccc(CNC(=O)c2ccc3c(c2)ncn3C2CCCC2)c1 ZINC000000218914 563988787 /nfs/dbraw/zinc/98/87/87/563988787.db2.gz RFRATRLCCMMUFG-UHFFFAOYSA-N 0 0 349.434 4.090 50 0 biogenic EIAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000000222200 563988840 /nfs/dbraw/zinc/98/88/40/563988840.db2.gz FDNWTGCGATUOIG-SJORKVTESA-N 0 0 340.814 4.086 50 0 EIAARN CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000078807626 563988861 /nfs/dbraw/zinc/98/88/61/563988861.db2.gz NCMZQTLCXHGLOK-IJKWGBFBSA-N 0 0 330.468 4.450 50 0 EIAARN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1Br ZINC000000258663 563989603 /nfs/dbraw/zinc/98/96/03/563989603.db2.gz YYAMNLVMZFHDNB-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN CC(=O)c1cc(C)ccc1OC(=O)c1ccc(Br)cc1 ZINC000000262428 563989749 /nfs/dbraw/zinc/98/97/49/563989749.db2.gz RCOWNIJGTRUIRZ-UHFFFAOYSA-N 0 0 333.181 4.179 50 0 EIAARN O=C(Cc1ccccc1)Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000000285450 563990272 /nfs/dbraw/zinc/99/02/72/563990272.db2.gz RTEHQELJELASKV-UHFFFAOYSA-N 0 0 340.382 4.445 50 0 EIAARN COc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000298338 563990747 /nfs/dbraw/zinc/99/07/47/563990747.db2.gz URDHEACKEQPMNK-UHFFFAOYSA-N 0 0 346.382 4.402 50 0 EIAARN CCOC(Cn1c2ccccc2nc1-c1ccc(OC)cc1)OCC ZINC000000308067 563990882 /nfs/dbraw/zinc/99/08/82/563990882.db2.gz MHKVOLZJZBSBAY-UHFFFAOYSA-N 0 0 340.423 4.111 50 0 EIAARN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc(Cl)c(F)c1 ZINC000000341344 563991329 /nfs/dbraw/zinc/99/13/29/563991329.db2.gz LARRCNBZQIXEMD-UHFFFAOYSA-N 0 0 325.726 4.433 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(-c2csc(NCc3ccco3)n2)c1C ZINC000024033898 563991453 /nfs/dbraw/zinc/99/14/53/563991453.db2.gz JBWYINBQTFFRHB-UHFFFAOYSA-N 0 0 345.424 4.137 50 0 EIAARN CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004082033 563991629 /nfs/dbraw/zinc/99/16/29/563991629.db2.gz DVBAEBPCDUVZPB-ZBWDDEHUSA-N 0 0 342.479 4.245 50 0 biogenic EIAARN CCCC(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl ZINC000000365524 563991707 /nfs/dbraw/zinc/99/17/07/563991707.db2.gz LQXPVQMSNXRDLL-UHFFFAOYSA-N 0 0 344.842 4.051 50 0 EIAARN CC(C)Oc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000000370669 563991771 /nfs/dbraw/zinc/99/17/71/563991771.db2.gz DKQOUYXYBNVCBU-YVLHZVERSA-N 0 0 341.794 4.472 50 0 EIAARN C[C@H](C[C@@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000000376863 563991896 /nfs/dbraw/zinc/99/18/96/563991896.db2.gz WEGRZIRJQQGVAM-NXEZZACHSA-N 0 0 344.238 4.300 50 0 EIAARN CCc1ccc(NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1 ZINC000005269618 563991901 /nfs/dbraw/zinc/99/19/01/563991901.db2.gz KXERYJQOLBIAFK-UHFFFAOYSA-N 0 0 346.430 4.020 50 0 EIAARN CCc1c(C(=O)Nc2cc(OC)ccc2Cl)cnn1C1CCCC1 ZINC000408514415 563992704 /nfs/dbraw/zinc/99/27/04/563992704.db2.gz MZKKUNKHFLLGAL-UHFFFAOYSA-N 0 0 347.846 4.475 50 0 EIAARN Cc1cc(Br)oc1C(=O)Nc1cc2[nH]ccc2cc1C ZINC000408514249 563992828 /nfs/dbraw/zinc/99/28/28/563992828.db2.gz GDXANBVPJRHQCZ-UHFFFAOYSA-N 0 0 333.185 4.393 50 0 EIAARN COc1cc(SC)ccc1NC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000408514960 563992968 /nfs/dbraw/zinc/99/29/68/563992968.db2.gz OGACITFUXJIRTC-UHFFFAOYSA-N 0 0 345.424 4.020 50 0 EIAARN Cc1ccccc1NCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000033744644 563994124 /nfs/dbraw/zinc/99/41/24/563994124.db2.gz VXPSJKGQAHQZES-YBEGLDIGSA-N 0 0 342.395 4.240 50 0 EIAARN O=C(Nc1ccccc1Cn1cccn1)N[C@@H]1CCCc2ccccc21 ZINC000044268484 563994940 /nfs/dbraw/zinc/99/49/40/563994940.db2.gz XHFRLXGXZDJDGY-HXUWFJFHSA-N 0 0 346.434 4.131 50 0 EIAARN C[C@H](CCc1cccn1C)NC(=O)c1c(Cl)cccc1Cl ZINC000176453873 563995051 /nfs/dbraw/zinc/99/50/51/563995051.db2.gz FCVNQKIVUHQFGW-LLVKDONJSA-N 0 0 325.239 4.083 50 0 EIAARN Cn1ccnc1-c1cccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1 ZINC000426477514 563995784 /nfs/dbraw/zinc/99/57/84/563995784.db2.gz FVDUXNUFSLTTDU-DYESRHJHSA-N 0 0 337.467 4.128 50 0 EIAARN Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccco2)cc1 ZINC000028243431 563996004 /nfs/dbraw/zinc/99/60/04/563996004.db2.gz APFLKSWZDTZEOS-UHFFFAOYSA-N 0 0 335.285 4.045 50 0 EIAARN CN(C)c1ccccc1N(C)C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000128863153 563996135 /nfs/dbraw/zinc/99/61/35/563996135.db2.gz SEEPBIOOHDZMTC-UHFFFAOYSA-N 0 0 339.826 4.231 50 0 EIAARN CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1 ZINC000005164077 563996507 /nfs/dbraw/zinc/99/65/07/563996507.db2.gz MBSDTXMAXGCMQJ-UHFFFAOYSA-N 0 0 334.419 4.170 50 0 EIAARN Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)cc1 ZINC000005164916 563997709 /nfs/dbraw/zinc/99/77/09/563997709.db2.gz BMZSENJQXBBNQS-UHFFFAOYSA-N 0 0 348.446 4.196 50 0 EIAARN COc1ccc(-c2nnc(SCc3ccccc3)o2)cc1OC ZINC000000421894 563998297 /nfs/dbraw/zinc/99/82/97/563998297.db2.gz BNTZSPAJUJZYSA-UHFFFAOYSA-N 0 0 328.393 4.046 50 0 EIAARN C[C@@]12C[C@@H](NC(=O)N1CCc1ccccc1)c1cc(Cl)ccc1O2 ZINC000000427439 563998674 /nfs/dbraw/zinc/99/86/74/563998674.db2.gz FOQKVBWGKLXQOR-VQIMIIECSA-N 0 0 342.826 4.148 50 0 EIAARN O=C(NCCn1ccc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000000427820 563998815 /nfs/dbraw/zinc/99/88/15/563998815.db2.gz WISKEJHRCRHVDP-UHFFFAOYSA-N 0 0 332.325 4.090 50 0 EIAARN Cc1ccc(-n2nc3c(c2NC(=O)CC(C)C)CSC3)c(C)c1 ZINC000000425776 563998993 /nfs/dbraw/zinc/99/89/93/563998993.db2.gz SUIPREMTAPVBTQ-UHFFFAOYSA-N 0 0 329.469 4.221 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3N(C)C2CCCCC2)c(C)c1 ZINC000000426418 563999025 /nfs/dbraw/zinc/99/90/25/563999025.db2.gz KRLDUQGKGUSBFN-UHFFFAOYSA-N 0 0 335.455 4.201 50 0 EIAARN Cc1ccc(C(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1 ZINC000000429429 563999058 /nfs/dbraw/zinc/99/90/58/563999058.db2.gz GGTGHPYHCAKKCZ-UHFFFAOYSA-N 0 0 338.476 4.357 50 0 EIAARN Cn1c(SCc2cc(C(C)(C)C)on2)nnc1-c1ccc(F)cc1 ZINC000253433080 563999289 /nfs/dbraw/zinc/99/92/89/563999289.db2.gz ROMFUEPTOYIYLW-UHFFFAOYSA-N 0 0 346.431 4.199 50 0 EIAARN Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000000430361 563999366 /nfs/dbraw/zinc/99/93/66/563999366.db2.gz PXMYMSKBGFJVEF-XNTDXEJSSA-N 0 0 342.192 4.102 50 0 EIAARN Cc1ccc(C2=NC(=CNc3cccc(Cl)c3C)C(=O)O2)cc1 ZINC000000431331 563999432 /nfs/dbraw/zinc/99/94/32/563999432.db2.gz AWEYZCIGFQOZIN-MHWRWJLKSA-N 0 0 326.783 4.214 50 0 EIAARN COc1cccc2c1ccn2CC(=O)Nc1cccc(SC)c1 ZINC000061720992 564000464 /nfs/dbraw/zinc/00/04/64/564000464.db2.gz SSBTVNBFPNMKRL-UHFFFAOYSA-N 0 0 326.421 4.011 50 0 EIAARN Clc1ccc(-c2nnc(SCc3ccc4c(c3)OCO4)o2)cc1 ZINC000005213548 564001063 /nfs/dbraw/zinc/00/10/63/564001063.db2.gz SOTSFIOTHKFEQE-UHFFFAOYSA-N 0 0 346.795 4.411 50 0 EIAARN CCc1cccc2c(C(=O)CSc3nnc(SC)s3)c[nH]c21 ZINC000005211527 564001103 /nfs/dbraw/zinc/00/11/03/564001103.db2.gz RMEKYTSUEPMAPT-UHFFFAOYSA-N 0 0 349.506 4.279 50 0 EIAARN N=C1NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)S1 ZINC000033933272 564001178 /nfs/dbraw/zinc/00/11/78/564001178.db2.gz MCNIXRWSSHCKSP-OQLLNIDSSA-N 0 0 344.823 4.058 50 0 EIAARN CC(=Cc1cnc(C(C)(C)C)s1)c1nc(=O)c2ccsc2[nH]1 ZINC000180321463 564001230 /nfs/dbraw/zinc/00/12/30/564001230.db2.gz YJBZJELNKFFHCH-VQHVLOKHSA-N 0 0 331.466 4.299 50 0 EIAARN COc1c(F)cc(NC(=O)N([C@@H](C)c2ccco2)C2CC2)cc1F ZINC000086283650 564001256 /nfs/dbraw/zinc/00/12/56/564001256.db2.gz CCLAOXARHVPEIN-JTQLQIEISA-N 0 0 336.338 4.324 50 0 EIAARN CCCCCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000005235876 564001397 /nfs/dbraw/zinc/00/13/97/564001397.db2.gz UOQTXICCZCKFAP-UHFFFAOYSA-N 0 0 329.488 4.321 50 0 EIAARN Cc1cccc2sc(NC(=O)c3cnc([C@@H]4CCCO4)s3)nc21 ZINC000089642817 564001495 /nfs/dbraw/zinc/00/14/95/564001495.db2.gz DEKNKPPJVUMCAO-JTQLQIEISA-N 0 0 345.449 4.165 50 0 EIAARN CCCC(=O)N(Cc1ccccn1)c1nc2ccc(OC)cc2s1 ZINC000005265126 564001716 /nfs/dbraw/zinc/00/17/16/564001716.db2.gz YWGIWSXRXGMEMO-UHFFFAOYSA-N 0 0 341.436 4.033 50 0 EIAARN CCn1cc(CCCNC(=S)NC2CCCCC2)c2ccccc21 ZINC000005274228 564002275 /nfs/dbraw/zinc/00/22/75/564002275.db2.gz COYJXRARPAHWPL-UHFFFAOYSA-N 0 0 343.540 4.391 50 0 EIAARN c1coc(-c2nnc(CNC(c3ccccc3)c3ccccc3)o2)c1 ZINC000005298072 564002397 /nfs/dbraw/zinc/00/23/97/564002397.db2.gz QKOTXTGUHNVQBW-UHFFFAOYSA-N 0 0 331.375 4.209 50 0 EIAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H]2CCCO2)cc1 ZINC000061997252 564002601 /nfs/dbraw/zinc/00/26/01/564002601.db2.gz FLBQNKAOQUKFJX-QGZVFWFLSA-N 0 0 349.386 4.090 50 0 EIAARN COc1ccc2ccc(O[C@@H](C)C(=O)N(C)c3ccccc3)cc2c1 ZINC000005365707 564003078 /nfs/dbraw/zinc/00/30/78/564003078.db2.gz JCIRYSJSMVWWAR-HNNXBMFYSA-N 0 0 335.403 4.279 50 0 EIAARN O=C(NCC(F)(F)F)c1oc2ccccc2c1COc1ccccc1 ZINC000005419239 564003743 /nfs/dbraw/zinc/00/37/43/564003743.db2.gz ONPYIXUXKKEHCN-UHFFFAOYSA-N 0 0 349.308 4.304 50 0 EIAARN Clc1ccc(Oc2nc3ccccc3n3cnnc23)c(Cl)c1 ZINC000005427697 564003839 /nfs/dbraw/zinc/00/38/39/564003839.db2.gz QEQTYJPECHWZAS-UHFFFAOYSA-N 0 0 331.162 4.377 50 0 EIAARN CCn1c(SCCOc2ccc(C)cc2)nnc1-c1ccco1 ZINC000002630552 564003915 /nfs/dbraw/zinc/00/39/15/564003915.db2.gz YZXBROLSARJNQU-UHFFFAOYSA-N 0 0 329.425 4.038 50 0 EIAARN COCc1c2ccccc2oc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000005442808 564004035 /nfs/dbraw/zinc/00/40/35/564004035.db2.gz CPZLOPSVENLDSL-SFHVURJKSA-N 0 0 335.403 4.387 50 0 EIAARN C[C@@H]1CCc2c(sc3ncn4c(nnc4-c4ccc(F)cc4)c23)C1 ZINC000002887018 564004057 /nfs/dbraw/zinc/00/40/57/564004057.db2.gz OPHFBAPJFYBRBK-SNVBAGLBSA-N 0 0 338.411 4.270 50 0 EIAARN Cc1cc(C)n(-c2nc(NCc3ccco3)cc(-c3ccccc3)n2)n1 ZINC000005450797 564004252 /nfs/dbraw/zinc/00/42/52/564004252.db2.gz HGWXKKLFOIUMJH-UHFFFAOYSA-N 0 0 345.406 4.151 50 0 EIAARN O=c1c2ccccc2ncn1Cc1ccccc1Oc1ccccc1 ZINC000005466235 564004394 /nfs/dbraw/zinc/00/43/94/564004394.db2.gz BORLCXBWMZHFPN-UHFFFAOYSA-N 0 0 328.371 4.237 50 0 EIAARN Nc1cccc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)c1 ZINC000005490080 564004731 /nfs/dbraw/zinc/00/47/31/564004731.db2.gz SNXLVUPBAALZCP-UHFFFAOYSA-N 0 0 330.431 4.309 50 0 EIAARN COc1ccccc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 ZINC000005498183 564004732 /nfs/dbraw/zinc/00/47/32/564004732.db2.gz MOYQVAVIGDVPRH-UHFFFAOYSA-N 0 0 346.386 4.347 50 0 EIAARN C[C@H](Sc1ncnc2ccccc21)C(=O)Nc1cccc(Cl)c1 ZINC000005505967 564004782 /nfs/dbraw/zinc/00/47/82/564004782.db2.gz QRZKBKODCZQUID-NSHDSACASA-N 0 0 343.839 4.403 50 0 EIAARN COC(=O)[C@@H](C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1 ZINC000005506497 564004783 /nfs/dbraw/zinc/00/47/83/564004783.db2.gz RHPBNWCDJSOARE-SECBINFHSA-N 0 0 342.178 4.121 50 0 EIAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000005512642 564004881 /nfs/dbraw/zinc/00/48/81/564004881.db2.gz KLPAVJOBBNSUFY-UHFFFAOYSA-N 0 0 330.815 4.074 50 0 EIAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccccc1)CCCC3 ZINC000005516112 564004922 /nfs/dbraw/zinc/00/49/22/564004922.db2.gz XOHQSXGKPRKURO-UHFFFAOYSA-N 0 0 341.432 4.421 50 0 EIAARN Cc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c(C)c1 ZINC000005518200 564004968 /nfs/dbraw/zinc/00/49/68/564004968.db2.gz UBBBLTCGHORQON-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN C[C@@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005528778 564005008 /nfs/dbraw/zinc/00/50/08/564005008.db2.gz NWHZVSMGAGNZPB-LLVKDONJSA-N 0 0 343.345 4.156 50 0 EIAARN CCCc1cc(=O)oc2cc(OCC(=O)c3ccc(C)cc3)ccc12 ZINC000005546835 564005199 /nfs/dbraw/zinc/00/51/99/564005199.db2.gz KGRZHRPLVLEIQX-UHFFFAOYSA-N 0 0 336.387 4.316 50 0 EIAARN CCOc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000005558833 564005469 /nfs/dbraw/zinc/00/54/69/564005469.db2.gz IWQUBORJBJBYRC-UHFFFAOYSA-N 0 0 325.286 4.236 50 0 EIAARN CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3Cl)c2O1 ZINC000005558885 564005470 /nfs/dbraw/zinc/00/54/70/564005470.db2.gz MPUXBMOIJPMUEB-UHFFFAOYSA-N 0 0 331.799 4.071 50 0 EIAARN O=C1N(Cc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C1(F)F ZINC000005578615 564005814 /nfs/dbraw/zinc/00/58/14/564005814.db2.gz CDVRSMZGLWUNTM-CQSZACIVSA-N 0 0 341.279 4.424 50 0 EIAARN COCc1c2ccccc2oc1C(=O)Nc1ccc2oc(C)nc2c1 ZINC000024348573 564006147 /nfs/dbraw/zinc/00/61/47/564006147.db2.gz PQGUKLKTQIDAFX-UHFFFAOYSA-N 0 0 336.347 4.281 50 0 EIAARN Cc1ccc([S@](=O)c2snnc2-c2ccc(Cl)cc2)cc1 ZINC000005617861 564006402 /nfs/dbraw/zinc/00/64/02/564006402.db2.gz WFEYNVKISKRTIG-OAQYLSRUSA-N 0 0 334.853 4.334 50 0 EIAARN O=C(CSc1nc2ccccc2s1)NCc1ccc(Cl)cc1 ZINC000005629369 564006754 /nfs/dbraw/zinc/00/67/54/564006754.db2.gz QWWQMXWLXUCKNB-UHFFFAOYSA-N 0 0 348.880 4.358 50 0 EIAARN CCC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(C)cc1 ZINC000005643050 564006932 /nfs/dbraw/zinc/00/69/32/564006932.db2.gz UEZUJIKAUISELV-WBMJQRKESA-N 0 0 345.468 4.033 50 0 EIAARN CO[C@@H](c1noc(-c2cnn(C(C)(C)C)c2)n1)c1ccccc1Cl ZINC000274103664 564008138 /nfs/dbraw/zinc/00/81/38/564008138.db2.gz TUCBZEMMBIMLKP-CQSZACIVSA-N 0 0 346.818 4.077 50 0 EIAARN Oc1ccc(N(CCc2ccccc2)Cc2nnsc2Cl)cc1 ZINC000081015397 564008698 /nfs/dbraw/zinc/00/86/98/564008698.db2.gz FZNQQGUWUPTUNE-UHFFFAOYSA-N 0 0 345.855 4.146 50 0 EIAARN C[C@H]1C[C@H](C)N(C(=O)c2cc(C3CC3)nc3ccccc32)c2ccnn21 ZINC000081031846 564008793 /nfs/dbraw/zinc/00/87/93/564008793.db2.gz CJSDKLSHZNNZJH-KBPBESRZSA-N 0 0 346.434 4.309 50 0 EIAARN O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@@H]1c1ccccc1 ZINC000000475554 564010621 /nfs/dbraw/zinc/01/06/21/564010621.db2.gz HCRNEJDDKQWLHQ-OLZOCXBDSA-N 0 0 334.188 4.330 50 0 EIAARN COc1ccccc1[C@H](NCc1cnc2ccc(C)cn12)c1ccco1 ZINC000157678157 564011190 /nfs/dbraw/zinc/01/11/90/564011190.db2.gz RHRDQLALXRTFCF-NRFANRHFSA-N 0 0 347.418 4.124 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1csc(-c2ccccc2)n1 ZINC000017296071 564011516 /nfs/dbraw/zinc/01/15/16/564011516.db2.gz VVQSSPHQGPPOQK-UHFFFAOYSA-N 0 0 347.443 4.264 50 0 EIAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccco1 ZINC000017297409 564011527 /nfs/dbraw/zinc/01/15/27/564011527.db2.gz RXSODPBZIMOJKP-UHFFFAOYSA-N 0 0 341.388 4.437 50 0 EIAARN O=C(Nc1ccc(C(=O)NCCC2=CCCCC2)cc1)c1ccco1 ZINC000017335155 564011698 /nfs/dbraw/zinc/01/16/98/564011698.db2.gz VGJMVJUDXOZNQJ-UHFFFAOYSA-N 0 0 338.407 4.152 50 0 EIAARN CN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CCCCC1 ZINC000017357001 564011734 /nfs/dbraw/zinc/01/17/34/564011734.db2.gz XGULQPDBHUEUDS-UHFFFAOYSA-N 0 0 346.471 4.116 50 0 EIAARN CCOc1ccc(Nc2ncccc2C(=O)N2CCC(C)CC2)cc1 ZINC000017355653 564011749 /nfs/dbraw/zinc/01/17/49/564011749.db2.gz WXINNVYWZOMOEK-UHFFFAOYSA-N 0 0 339.439 4.096 50 0 EIAARN COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000149946 564012101 /nfs/dbraw/zinc/01/21/01/564012101.db2.gz UYNZVKFEUXVBBP-UHFFFAOYSA-N 0 0 339.178 4.424 50 0 EIAARN CCOc1cc(CNc2ccc(Br)cc2)ccc1OC ZINC000000293077 564012332 /nfs/dbraw/zinc/01/23/32/564012332.db2.gz BANSEBPERXBQJJ-UHFFFAOYSA-N 0 0 336.229 4.469 50 0 EIAARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)cc1 ZINC000000431763 564012601 /nfs/dbraw/zinc/01/26/01/564012601.db2.gz DYLWMFBGCSKYFJ-UHFFFAOYSA-N 0 0 334.257 4.004 50 0 EIAARN Cc1nc(CN(C)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cs1 ZINC000062652518 564012951 /nfs/dbraw/zinc/01/29/51/564012951.db2.gz MKEHTNDNKFLVBR-CYBMUJFWSA-N 0 0 347.484 4.141 50 0 EIAARN COc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)s2)cc1 ZINC000017779635 564012983 /nfs/dbraw/zinc/01/29/83/564012983.db2.gz BFELKESZFHMHSF-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN Cc1ccc(SCCC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000002549639 564013344 /nfs/dbraw/zinc/01/33/44/564013344.db2.gz NDTKHXXGDLIGPL-UHFFFAOYSA-N 0 0 338.476 4.317 50 0 EIAARN CCCCC(=O)N[C@H](OCc1ccccc1)C(Cl)(Cl)Cl ZINC000005792188 564014283 /nfs/dbraw/zinc/01/42/83/564014283.db2.gz AKDBCPQVXIODDD-CYBMUJFWSA-N 0 0 338.662 4.206 50 0 EIAARN CC[C@@H](C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 ZINC000585148047 564014768 /nfs/dbraw/zinc/01/47/68/564014768.db2.gz MWXGBDJHJGLFEB-UXHICEINSA-N 0 0 349.430 4.290 50 0 EIAARN O=C(Cc1noc(-c2cccc(Cl)c2)n1)Nc1ccccc1Cl ZINC000016579807 564014867 /nfs/dbraw/zinc/01/48/67/564014867.db2.gz UFZANAKYTIAJGW-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN Cc1c2cc(Cl)ccc2oc(=O)c1-c1ccc2c(c1)OCCO2 ZINC000000485472 564016990 /nfs/dbraw/zinc/01/69/90/564016990.db2.gz MWAKFPHFESUSRJ-UHFFFAOYSA-N 0 0 328.751 4.193 50 0 biogenic EIAARN CCc1c(C)c2ccc(O[C@@H](C)C(=O)c3ccccc3)cc2oc1=O ZINC000000488590 564017357 /nfs/dbraw/zinc/01/73/57/564017357.db2.gz NLOYUWUAIVLYRX-AWEZNQCLSA-N 0 0 336.387 4.314 50 0 biogenic EIAARN COc1cc(OC)c2c(c1)O[C@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000000491362 564017612 /nfs/dbraw/zinc/01/76/12/564017612.db2.gz PEFHPBRNPWDAPU-NRFANRHFSA-N 0 0 337.419 4.233 50 0 biogenic EIAARN Cc1cc(C)n(-c2nc3ccccc3nc2NCc2ccccc2)n1 ZINC000000499868 564018445 /nfs/dbraw/zinc/01/84/45/564018445.db2.gz VIYGUFIOOVPNTD-UHFFFAOYSA-N 0 0 329.407 4.044 50 0 EIAARN O=C(Nc1ccc(F)cc1F)N[C@@H]1CCSc2c(F)cccc21 ZINC000018177593 564018557 /nfs/dbraw/zinc/01/85/57/564018557.db2.gz HOBTYAZKUZABAS-CYBMUJFWSA-N 0 0 338.354 4.463 50 0 EIAARN COc1ccc(OC)c(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000005701802 564019482 /nfs/dbraw/zinc/01/94/82/564019482.db2.gz XZNPKAIHCZPTLU-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3s2)[C@H]1C ZINC000102181725 564019900 /nfs/dbraw/zinc/01/99/00/564019900.db2.gz VJBKPCAJJMVXSS-FRRDWIJNSA-N 0 0 334.510 4.329 50 0 EIAARN CCNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000102685241 564020466 /nfs/dbraw/zinc/02/04/66/564020466.db2.gz IIHSJYXOMFIPQS-YPKPFQOOSA-N 0 0 332.403 4.454 50 0 EIAARN O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2c3ccccc3ccc21 ZINC000000519085 564020550 /nfs/dbraw/zinc/02/05/50/564020550.db2.gz SOAZYYUSIFAIBW-LJQANCHMSA-N 0 0 332.355 4.318 50 0 biogenic EIAARN O=C(Nc1scnc1-c1ccccc1)[C@@H]1CCOc2ccccc21 ZINC000102853598 564020749 /nfs/dbraw/zinc/02/07/49/564020749.db2.gz PWLDENQRPZDQOP-OAHLLOKOSA-N 0 0 336.416 4.315 50 0 EIAARN C[C@H]1CCN(Cc2nc(-c3cccnc3)no2)c2ccccc2S1 ZINC000120490303 564020909 /nfs/dbraw/zinc/02/09/09/564020909.db2.gz JJDKVGPBPWFMSL-ZDUSSCGKSA-N 0 0 338.436 4.023 50 0 EIAARN O=C(Cc1cccc2ccccc21)OCc1nnc(-c2ccccc2)o1 ZINC000005713872 564020944 /nfs/dbraw/zinc/02/09/44/564020944.db2.gz UJTJSAPAQFAPFY-UHFFFAOYSA-N 0 0 344.370 4.176 50 0 EIAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 ZINC000000531641 564021666 /nfs/dbraw/zinc/02/16/66/564021666.db2.gz ROFMIMLLXFSIBS-INIZCTEOSA-N 0 0 333.435 4.446 50 0 EIAARN Cc1nn(C(=O)c2ccc(C(F)(F)F)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000535111 564022060 /nfs/dbraw/zinc/02/20/60/564022060.db2.gz KJZDFPMVHRXVGM-IUODEOHRSA-N 0 0 334.341 4.195 50 0 EIAARN CSc1nc2sc3c(c2c(NCC(C)C)n1)CC(C)(C)OC3 ZINC000000536993 564022197 /nfs/dbraw/zinc/02/21/97/564022197.db2.gz UUHJDRBJRLIAJN-UHFFFAOYSA-N 0 0 337.514 4.332 50 0 EIAARN CC(C)NC(=O)Nc1cccc(NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000024511166 564022653 /nfs/dbraw/zinc/02/26/53/564022653.db2.gz LNOHJKXRVGBBFQ-HNNXBMFYSA-N 0 0 339.439 4.349 50 0 EIAARN COc1ccc(CCNc2ncnc3c4cc(C)ccc4[nH]c32)cc1 ZINC000000554098 564023071 /nfs/dbraw/zinc/02/30/71/564023071.db2.gz ZLZIWKAPWKXODS-UHFFFAOYSA-N 0 0 332.407 4.083 50 0 EIAARN Cc1cccc(NC(=O)N[C@H](C)c2cccnc2)c1Br ZINC000120513946 564023522 /nfs/dbraw/zinc/02/35/22/564023522.db2.gz OQYKYFNQALIHIL-LLVKDONJSA-N 0 0 334.217 4.035 50 0 EIAARN COc1ccc(-c2nc3ncccn3c2NCCc2ccccc2)cc1 ZINC000096124717 564023733 /nfs/dbraw/zinc/02/37/33/564023733.db2.gz SBIKETDOXPKYAV-UHFFFAOYSA-N 0 0 344.418 4.060 50 0 EIAARN C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 ZINC000000573745 564023989 /nfs/dbraw/zinc/02/39/89/564023989.db2.gz NOPWFNUFMNOQQI-GJZGRUSLSA-N 0 0 338.451 4.024 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000000579756 564024368 /nfs/dbraw/zinc/02/43/68/564024368.db2.gz FUYNZYAGQWDIAM-JTQLQIEISA-N 0 0 340.206 4.408 50 0 EIAARN Cc1csc(-c2c(=O)c3cc(C)c([O-])cc3oc2C(F)(F)F)n1 ZINC000005730410 564024386 /nfs/dbraw/zinc/02/43/86/564024386.db2.gz MLIVIWFJXJNITH-UHFFFAOYSA-N 0 0 341.310 4.258 50 0 EIAARN Cc1cccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)c1C ZINC000017067327 564024792 /nfs/dbraw/zinc/02/47/92/564024792.db2.gz XSAJPIQKIQFZSW-UHFFFAOYSA-N 0 0 328.462 4.215 50 0 EIAARN Cc1cc(C)cc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)c1 ZINC000017067330 564024807 /nfs/dbraw/zinc/02/48/07/564024807.db2.gz LFQQYOBDWUHGRJ-UHFFFAOYSA-N 0 0 328.462 4.215 50 0 EIAARN Cc1ccc(Cl)c(OC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000014849431 564025082 /nfs/dbraw/zinc/02/50/82/564025082.db2.gz LVFCLAGKHALUMA-CQSZACIVSA-N 0 0 343.810 4.145 50 0 EIAARN COc1ccc2c(CC(=O)N3CCC[C@H]3c3ccsc3)coc2c1 ZINC000046912000 564025483 /nfs/dbraw/zinc/02/54/83/564025483.db2.gz BLPWEBVYIQSQTG-KRWDZBQOSA-N 0 0 341.432 4.409 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(C)=O)cc1 ZINC000047157675 564025794 /nfs/dbraw/zinc/02/57/94/564025794.db2.gz XLDOVXYJLQGNJK-UHFFFAOYSA-N 0 0 349.390 4.061 50 0 EIAARN O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1cccnc1 ZINC000047287254 564026021 /nfs/dbraw/zinc/02/60/21/564026021.db2.gz ZZRDNLNJAFOJFU-UHFFFAOYSA-N 0 0 332.338 4.016 50 0 EIAARN Cc1ccccc1NC(=O)c1ccn(COc2ccccc2Cl)n1 ZINC000002796602 564026029 /nfs/dbraw/zinc/02/60/29/564026029.db2.gz UMHXHYNLMNYWFM-UHFFFAOYSA-N 0 0 341.798 4.134 50 0 EIAARN COc1cccc(CNC(=O)C2(c3cccs3)CCCCC2)c1 ZINC000012158361 564026361 /nfs/dbraw/zinc/02/63/61/564026361.db2.gz SKXAXAVIDUQBDF-UHFFFAOYSA-N 0 0 329.465 4.275 50 0 EIAARN CC(C)c1ccccc1NC(=O)CCNC(=O)c1c[nH]c2ccccc12 ZINC000047516547 564026387 /nfs/dbraw/zinc/02/63/87/564026387.db2.gz GBQQWXJXXKKMPT-UHFFFAOYSA-N 0 0 349.434 4.050 50 0 EIAARN COC(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000047583999 564026503 /nfs/dbraw/zinc/02/65/03/564026503.db2.gz UVMOZOSWDQSGAR-UHFFFAOYSA-N 0 0 347.802 4.182 50 0 EIAARN Cc1cc(=O)c(C(=O)N([C@@H](C)c2ccc3ccccc3c2)C2CC2)c[nH]1 ZINC000081291319 564026606 /nfs/dbraw/zinc/02/66/06/564026606.db2.gz QBXYCRVIGYVFDW-HNNXBMFYSA-N 0 0 346.430 4.202 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@H]1c1ccccc1 ZINC000107493434 564026935 /nfs/dbraw/zinc/02/69/35/564026935.db2.gz XNAKAHJORJMFIG-IRFCIJBXSA-N 0 0 328.415 4.091 50 0 EIAARN O=C(Cc1noc2ccccc12)O[C@H](c1ccccc1)c1ccccn1 ZINC000044613295 564027065 /nfs/dbraw/zinc/02/70/65/564027065.db2.gz FTYAIFOCQQDGHH-OAQYLSRUSA-N 0 0 344.370 4.098 50 0 EIAARN COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1OC ZINC000044816097 564027164 /nfs/dbraw/zinc/02/71/64/564027164.db2.gz NMCPXHILOVVYAY-NWDGAFQWSA-N 0 0 331.334 4.011 50 0 EIAARN O=C(c1cccnc1Nc1cccc(F)c1)N1CCc2ccccc21 ZINC000044850464 564027488 /nfs/dbraw/zinc/02/74/88/564027488.db2.gz NZVUFSOADARUKH-UHFFFAOYSA-N 0 0 333.366 4.167 50 0 EIAARN Cc1[nH]nc2c1[C@H](c1ccc(OCC(C)C)cc1)SCC(=O)N2 ZINC000044890545 564027511 /nfs/dbraw/zinc/02/75/11/564027511.db2.gz GRBXJOTYVBAMCZ-INIZCTEOSA-N 0 0 331.441 4.177 50 0 EIAARN O=S(=O)(Cc1csc(-c2ccccc2)n1)Cc1ccccc1F ZINC000045294916 564028345 /nfs/dbraw/zinc/02/83/45/564028345.db2.gz OCPOECCNYVFYTQ-UHFFFAOYSA-N 0 0 347.436 4.064 50 0 EIAARN O=S(=O)(Cc1csc(-c2ccccc2)n1)Cc1cccc(F)c1 ZINC000045297351 564028362 /nfs/dbraw/zinc/02/83/62/564028362.db2.gz FCTPCKZUDADXEX-UHFFFAOYSA-N 0 0 347.436 4.064 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=O)c2cccnc2SCC(F)(F)F)[C@H]1C ZINC000109011958 564028620 /nfs/dbraw/zinc/02/86/20/564028620.db2.gz DPLXMHAMUMQAIC-MDZLAQPJSA-N 0 0 346.418 4.291 50 0 EIAARN CC1=NN(c2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)CC1 ZINC000045883446 564028757 /nfs/dbraw/zinc/02/87/57/564028757.db2.gz YBYXWARTHYWRIX-UHFFFAOYSA-N 0 0 339.464 4.139 50 0 EIAARN O=C(CSc1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1F ZINC000045943089 564029004 /nfs/dbraw/zinc/02/90/04/564029004.db2.gz IWPWDQAPFOIPMF-UHFFFAOYSA-N 0 0 346.358 4.351 50 0 EIAARN CCn1c(=O)oc2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000046010090 564029077 /nfs/dbraw/zinc/02/90/77/564029077.db2.gz XYTJJUUBEILHIO-UHFFFAOYSA-N 0 0 349.749 4.051 50 0 EIAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000046018113 564029220 /nfs/dbraw/zinc/02/92/20/564029220.db2.gz XZUCQJBKGFMDLH-MRXNPFEDSA-N 0 0 335.856 4.174 50 0 EIAARN CCCCOc1ccc2cc(C(=O)N[C@@H](C)c3cccnc3)[nH]c2c1 ZINC000047752317 564029722 /nfs/dbraw/zinc/02/97/22/564029722.db2.gz FYYKGEJNGLVNAS-AWEZNQCLSA-N 0 0 337.423 4.233 50 0 EIAARN COc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1OC(F)F ZINC000048080238 564029984 /nfs/dbraw/zinc/02/99/84/564029984.db2.gz NVEDPSVPXYIFAR-OAHLLOKOSA-N 0 0 347.361 4.274 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)CCCCC(=O)c2ccccc2)c1 ZINC000048181346 564030013 /nfs/dbraw/zinc/03/00/13/564030013.db2.gz LEVKZRFBQWNOTP-UHFFFAOYSA-N 0 0 338.407 4.027 50 0 EIAARN Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)C2CC2)o1 ZINC000048234152 564030082 /nfs/dbraw/zinc/03/00/82/564030082.db2.gz PSUKCDDULZDPEK-HNNXBMFYSA-N 0 0 339.435 4.035 50 0 EIAARN CSc1nnc(SCc2ccc(-n3nc(C)cc3C)cc2)s1 ZINC000048248718 564030212 /nfs/dbraw/zinc/03/02/12/564030212.db2.gz VRMVCSCJXOLABF-UHFFFAOYSA-N 0 0 348.522 4.355 50 0 EIAARN Cc1cc(Br)ccc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000048227970 564030275 /nfs/dbraw/zinc/03/02/75/564030275.db2.gz SVMDZJQJGNVTIQ-OAHLLOKOSA-N 0 0 346.224 4.011 50 0 EIAARN Cc1noc([C@H](C)Sc2ncc(-c3ccccc3)n2C2CC2)n1 ZINC000048261271 564030322 /nfs/dbraw/zinc/03/03/22/564030322.db2.gz REQAUZYXPPLULZ-NSHDSACASA-N 0 0 326.425 4.430 50 0 EIAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000048250106 564030415 /nfs/dbraw/zinc/03/04/15/564030415.db2.gz SXFQQOXKZMSONK-BETUJISGSA-N 0 0 348.443 4.362 50 0 EIAARN c1ccc2c(c1)CCC[C@@H]2Sc1nnc(NC[C@@H]2CCCO2)s1 ZINC000048273410 564030419 /nfs/dbraw/zinc/03/04/19/564030419.db2.gz MIBSRCZVMLXRHG-ZFWWWQNUSA-N 0 0 347.509 4.299 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000048276245 564030620 /nfs/dbraw/zinc/03/06/20/564030620.db2.gz RFMDRSOEPSHPEA-AWEZNQCLSA-N 0 0 343.477 4.485 50 0 EIAARN CSc1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)cc1 ZINC000048308567 564030755 /nfs/dbraw/zinc/03/07/55/564030755.db2.gz XMUCICFMOGTSBY-UHFFFAOYSA-N 0 0 339.464 4.014 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](C)c4ccccc43)cn2)n1 ZINC000048301655 564030825 /nfs/dbraw/zinc/03/08/25/564030825.db2.gz DLPBJVIGLONSHA-CQSZACIVSA-N 0 0 346.434 4.038 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000048301568 564030843 /nfs/dbraw/zinc/03/08/43/564030843.db2.gz ZPKAJNGDUNZWFP-LSDHHAIUSA-N 0 0 328.437 4.118 50 0 EIAARN O=C(Nc1ccc(-c2ccccc2)cc1)N(C[C@H]1CCOC1)C1CC1 ZINC000048325751 564030972 /nfs/dbraw/zinc/03/09/72/564030972.db2.gz RDANYJDXXIMACQ-MRXNPFEDSA-N 0 0 336.435 4.386 50 0 EIAARN Cc1ccc(SCC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000048325598 564030997 /nfs/dbraw/zinc/03/09/97/564030997.db2.gz JWACUPHKTURWTL-UHFFFAOYSA-N 0 0 341.476 4.199 50 0 EIAARN O=C(CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000048332851 564031055 /nfs/dbraw/zinc/03/10/55/564031055.db2.gz WZBQICWUMITONN-INIZCTEOSA-N 0 0 341.282 4.143 50 0 EIAARN C[C@]12CCC[C@@H]1[C@@H]1CC(=O)[C@H]3CC4(CC[C@@]3(C)[C@@H]1CC2)OCCO4 ZINC000025545658 564031066 /nfs/dbraw/zinc/03/10/66/564031066.db2.gz LJKNOBNXTYYVSU-JLJUJHICSA-N 0 0 332.484 4.341 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)N[C@@H](C)c1ccccn1 ZINC000048333956 564031115 /nfs/dbraw/zinc/03/11/15/564031115.db2.gz QDNRFTQKNYYLPN-NSHDSACASA-N 0 0 334.217 4.035 50 0 EIAARN Cc1nc2ccccc2n1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000048354702 564031327 /nfs/dbraw/zinc/03/13/27/564031327.db2.gz NFZMKKYPXRXENX-UHFFFAOYSA-N 0 0 345.402 4.171 50 0 EIAARN COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000048373871 564031635 /nfs/dbraw/zinc/03/16/35/564031635.db2.gz GTDLGLUBDQCVGG-SECBINFHSA-N 0 0 338.816 4.071 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(Cc3csc(C)n3)n2)c(F)c1 ZINC000048375154 564031652 /nfs/dbraw/zinc/03/16/52/564031652.db2.gz GJDIDYHCRQACNR-UHFFFAOYSA-N 0 0 347.440 4.263 50 0 EIAARN CCOc1cccc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)c1 ZINC000028294867 564031750 /nfs/dbraw/zinc/03/17/50/564031750.db2.gz JGZPDLUAIGKZCF-UHFFFAOYSA-N 0 0 345.449 4.226 50 0 EIAARN C[C@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc(O)c1 ZINC000112458047 564032057 /nfs/dbraw/zinc/03/20/57/564032057.db2.gz ZSHISBYKWKHFDU-KXBFYZLASA-N 0 0 339.439 4.175 50 0 EIAARN O=C(NCc1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000048817056 564032239 /nfs/dbraw/zinc/03/22/39/564032239.db2.gz ICHOJTXIRONALO-UHFFFAOYSA-N 0 0 342.595 4.172 50 0 EIAARN CCSc1ccccc1C(=O)Nc1ccc(-c2nc(C)no2)cc1 ZINC000049027118 564032386 /nfs/dbraw/zinc/03/23/86/564032386.db2.gz KUUHJBYFJFDSJD-UHFFFAOYSA-N 0 0 339.420 4.409 50 0 EIAARN Cc1noc(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000049027267 564032406 /nfs/dbraw/zinc/03/24/06/564032406.db2.gz RZKZYWUBDMNPMR-UHFFFAOYSA-N 0 0 347.296 4.316 50 0 EIAARN Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc32)cc1 ZINC000049004575 564032478 /nfs/dbraw/zinc/03/24/78/564032478.db2.gz XJVPUWULUWXOTI-UHFFFAOYSA-N 0 0 346.434 4.226 50 0 EIAARN O=C(C[C@@H]1C=CCC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000115258355 564033070 /nfs/dbraw/zinc/03/30/70/564033070.db2.gz OTWZTYGXHUDJRC-VOIUYBSRSA-N 0 0 339.460 4.289 50 0 EIAARN CCOc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(C)c2O3)cc1 ZINC000006748485 564033433 /nfs/dbraw/zinc/03/34/33/564033433.db2.gz LYXJKHRMUSIMIP-UHFFFAOYSA-N 0 0 334.375 4.253 50 0 EIAARN COc1ccc2c(CC(=O)Nc3ccc4oc(C)nc4c3)coc2c1 ZINC000008133201 564034715 /nfs/dbraw/zinc/03/47/15/564034715.db2.gz HKJUTDPSOVOPBA-UHFFFAOYSA-N 0 0 336.347 4.072 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc(Br)o1 ZINC000390831152 564034942 /nfs/dbraw/zinc/03/49/42/564034942.db2.gz QAXNTVZEHKCCAG-UHFFFAOYSA-N 0 0 346.180 4.232 50 0 EIAARN COc1cc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O ZINC000000818068 564035003 /nfs/dbraw/zinc/03/50/03/564035003.db2.gz RZQUNHRYMHCUHO-HXUWFJFHSA-N 0 0 335.407 4.162 50 0 EIAARN COc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1OC ZINC000000818055 564035023 /nfs/dbraw/zinc/03/50/23/564035023.db2.gz IAJFNCNVJVKECD-NRFANRHFSA-N 0 0 349.434 4.465 50 0 EIAARN COc1ccc(CC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000008279265 564035117 /nfs/dbraw/zinc/03/51/17/564035117.db2.gz XHJJGJUQRDZIDM-ZDUSSCGKSA-N 0 0 340.448 4.067 50 0 EIAARN COc1ccc(-c2nnc(SCc3nc4ccccc4o3)o2)cc1 ZINC000008541554 564035763 /nfs/dbraw/zinc/03/57/63/564035763.db2.gz JQOOYVNYYPLJFV-UHFFFAOYSA-N 0 0 339.376 4.179 50 0 EIAARN CCc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 ZINC000031675032 564035911 /nfs/dbraw/zinc/03/59/11/564035911.db2.gz VYZJFUNJQRYWRC-UHFFFAOYSA-N 0 0 341.436 4.322 50 0 EIAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000031903837 564035938 /nfs/dbraw/zinc/03/59/38/564035938.db2.gz OWPVLYVOZVKXNW-RNCFNFMXSA-N 0 0 336.284 4.159 50 0 EIAARN O=C(N[C@H](c1cccs1)C1CCCC1)c1cc(-c2ccco2)n[nH]1 ZINC000032397767 564036043 /nfs/dbraw/zinc/03/60/43/564036043.db2.gz SNYOEHDOVKIALN-KRWDZBQOSA-N 0 0 341.436 4.393 50 0 EIAARN CCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000033320048 564036682 /nfs/dbraw/zinc/03/66/82/564036682.db2.gz TVVFAYLIPDIJIU-NXVVXOECSA-N 0 0 345.446 4.421 50 0 EIAARN C[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1Cl ZINC000025396756 564037434 /nfs/dbraw/zinc/03/74/34/564037434.db2.gz LWXIXNVGLIGSDI-SNVBAGLBSA-N 0 0 348.233 4.081 50 0 EIAARN COc1ccc2cc(CNc3ccc(C(F)(F)F)nn3)ccc2c1 ZINC000225508725 564047402 /nfs/dbraw/zinc/04/74/02/564047402.db2.gz LMQQSCMORNOQCR-UHFFFAOYSA-N 0 0 333.313 4.269 50 0 EIAARN CCCNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000041128092 564050193 /nfs/dbraw/zinc/05/01/93/564050193.db2.gz SJOHUMJHVYBSTN-CYBMUJFWSA-N 0 0 330.255 4.031 50 0 EIAARN O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1ccccn1 ZINC000041136007 564050275 /nfs/dbraw/zinc/05/02/75/564050275.db2.gz YFYWUZKJGVFPIF-MRXNPFEDSA-N 0 0 328.824 4.316 50 0 EIAARN Cc1nc([C@H]2CCCN2C(=O)NCC2CCC(F)(F)CC2)cs1 ZINC000239636934 564051657 /nfs/dbraw/zinc/05/16/57/564051657.db2.gz BHOZTZYKXLNVPQ-CQSZACIVSA-N 0 0 343.443 4.124 50 0 EIAARN CCOCc1ccccc1NC(=O)Nc1cc(CCC(C)C)[nH]n1 ZINC000240465857 564051738 /nfs/dbraw/zinc/05/17/38/564051738.db2.gz GAVKVAQECHOGSV-UHFFFAOYSA-N 0 0 330.432 4.179 50 0 EIAARN CC(C)N(C(=O)c1cc2c(cn1)OCCC2)c1cnc2ccccc2c1 ZINC000241316791 564051971 /nfs/dbraw/zinc/05/19/71/564051971.db2.gz LUXXCJXVDYOVPP-UHFFFAOYSA-N 0 0 347.418 4.010 50 0 EIAARN CN1C[C@@H](C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc21 ZINC000241383244 564051977 /nfs/dbraw/zinc/05/19/77/564051977.db2.gz MTQQKSFSIDTXPU-INIZCTEOSA-N 0 0 349.459 4.057 50 0 EIAARN COc1cccc([C@H]2CCCN2C(=O)Cn2ccc3ccccc32)c1 ZINC000252481505 564053352 /nfs/dbraw/zinc/05/33/52/564053352.db2.gz CNEYRWFECUDEHF-HXUWFJFHSA-N 0 0 334.419 4.014 50 0 EIAARN O=C(Oc1cccc2c(C(=O)Oc3ccco3)cccc12)c1ccco1 ZINC000000973058 564053766 /nfs/dbraw/zinc/05/37/66/564053766.db2.gz HRJXLRZQNAYMOO-UHFFFAOYSA-N 0 0 348.310 4.464 50 0 EIAARN Cn1c(Cc2ccccc2)nnc1SCc1c(F)cccc1Cl ZINC000000976233 564053815 /nfs/dbraw/zinc/05/38/15/564053815.db2.gz DBFWVYFXFUDNRN-UHFFFAOYSA-N 0 0 347.846 4.491 50 0 EIAARN CC[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccccc2F)C1=O ZINC000000981319 564053888 /nfs/dbraw/zinc/05/38/88/564053888.db2.gz YHKRMUYDMVTNKX-IEMQHYRPSA-N 0 0 344.411 4.451 50 0 EIAARN CCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1 ZINC000001000920 564053955 /nfs/dbraw/zinc/05/39/55/564053955.db2.gz SNFZZURDWSQOIQ-UHFFFAOYSA-N 0 0 332.618 4.424 50 0 EIAARN COc1cccc(CC(=O)NCC2(c3ccccc3)CCCCC2)c1 ZINC000025250401 564053964 /nfs/dbraw/zinc/05/39/64/564053964.db2.gz VMSOSKWXJJXBCX-UHFFFAOYSA-N 0 0 337.463 4.256 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)nn1C(C)(C)C ZINC000052426507 564054248 /nfs/dbraw/zinc/05/42/48/564054248.db2.gz OMSZYIJJMZLLQA-UHFFFAOYSA-N 0 0 338.411 4.162 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@H]3[C@@H](O)C[C@H]2C1 ZINC000257346354 564055880 /nfs/dbraw/zinc/05/58/80/564055880.db2.gz YQMXIAABFQDHTC-UCIXUQDCSA-N 0 0 334.500 4.322 50 0 EIAARN CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]2(C)[C@@H]1O ZINC000257346313 564055895 /nfs/dbraw/zinc/05/58/95/564055895.db2.gz YATPIFKIZZKJFX-BSGOZNNNSA-N 0 0 334.500 4.322 50 0 EIAARN Cc1cc(OCCN2c3ccccc3NC[C@@H](C)C2=O)ccc1Cl ZINC000082087121 564056189 /nfs/dbraw/zinc/05/61/89/564056189.db2.gz ZGTOTZJDLXJISN-CQSZACIVSA-N 0 0 344.842 4.122 50 0 EIAARN Cc1cccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000001187419 564056293 /nfs/dbraw/zinc/05/62/93/564056293.db2.gz XRKBVRPJIGXRLQ-UHFFFAOYSA-N 0 0 329.831 4.003 50 0 EIAARN O=C([O-])C1CCC([NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000263394996 564056311 /nfs/dbraw/zinc/05/63/11/564056311.db2.gz GHAZHIONWVAMOU-OGOZRWHJSA-N 0 0 342.266 4.330 50 0 EIAARN Fc1c(F)c(Cl)c(I)c(Cl)c1F ZINC000263625407 564056488 /nfs/dbraw/zinc/05/64/88/564056488.db2.gz ZQBSHXWXWCRXHH-UHFFFAOYSA-N 0 0 326.870 4.015 50 0 EIAARN O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccccc1F ZINC000005863518 564056681 /nfs/dbraw/zinc/05/66/81/564056681.db2.gz LTHQLPXGJUEZIB-UHFFFAOYSA-N 0 0 342.347 4.493 50 0 EIAARN CC(C)(C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000005901245 564056909 /nfs/dbraw/zinc/05/69/09/564056909.db2.gz QVMKNXDNDNOSGB-UHFFFAOYSA-N 0 0 348.402 4.159 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000005935190 564057076 /nfs/dbraw/zinc/05/70/76/564057076.db2.gz FFGMFWMENUQXJO-ZDUSSCGKSA-N 0 0 332.831 4.120 50 0 EIAARN C[C@H](Nc1ccccc1N1CCCCC1)C(=O)N1CCc2ccccc21 ZINC000005939421 564057132 /nfs/dbraw/zinc/05/71/32/564057132.db2.gz XSRARCIZIZJZDP-KRWDZBQOSA-N 0 0 349.478 4.067 50 0 EIAARN C[C@@H](Nc1ccccc1N1CCCCC1)C(=O)N1CCc2ccccc21 ZINC000005939425 564057133 /nfs/dbraw/zinc/05/71/33/564057133.db2.gz XSRARCIZIZJZDP-QGZVFWFLSA-N 0 0 349.478 4.067 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccccc1C 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O=C(c1cccc(F)c1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003206945 564058425 /nfs/dbraw/zinc/05/84/25/564058425.db2.gz CVYBWNPCYYLLTF-UHFFFAOYSA-N 0 0 342.329 4.075 50 0 EIAARN Cc1ccc(F)c2c1CCCN2C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000120809262 564058596 /nfs/dbraw/zinc/05/85/96/564058596.db2.gz HFYWBGQOIWFMCP-HNNXBMFYSA-N 0 0 346.427 4.035 50 0 EIAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000012544499 564058818 /nfs/dbraw/zinc/05/88/18/564058818.db2.gz AFZZCUVJSIGNNP-INIZCTEOSA-N 0 0 325.799 4.194 50 0 EIAARN CCCCCC[C@@H](C)NC(=O)N1CCN(c2ccccc2C)CC1 ZINC000012545597 564058844 /nfs/dbraw/zinc/05/88/44/564058844.db2.gz UWHHNILHBRNKPY-GOSISDBHSA-N 0 0 331.504 4.186 50 0 EIAARN C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000012547207 564058950 /nfs/dbraw/zinc/05/89/50/564058950.db2.gz LUQKEKGIHOKWFA-AWEZNQCLSA-N 0 0 346.434 4.244 50 0 EIAARN CCOC(=O)c1ccc(Oc2ncnc3sc(C)c(C)c32)cc1 ZINC000003285197 564059045 /nfs/dbraw/zinc/05/90/45/564059045.db2.gz JCNUTHUGYWCWNR-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/07/31/72/564073172.db2.gz CRZOYLNGCNWBBG-UHFFFAOYSA-N 0 0 339.782 4.099 50 0 EIAARN CC(=O)c1cn(CC(=O)Nc2c(C)cccc2Cl)c2ccccc12 ZINC000085558627 564074008 /nfs/dbraw/zinc/07/40/08/564074008.db2.gz GXXQYJBIIMFGLF-UHFFFAOYSA-N 0 0 340.810 4.444 50 0 EIAARN Cc1cc([C@H](O)CCNC(=O)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000085561615 564074038 /nfs/dbraw/zinc/07/40/38/564074038.db2.gz VSCCGSFCUIENTC-OAHLLOKOSA-N 0 0 342.222 4.057 50 0 EIAARN CN(CCOc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000014701190 564074171 /nfs/dbraw/zinc/07/41/71/564074171.db2.gz HAHBXBRGMMYJPY-UHFFFAOYSA-N 0 0 336.435 4.028 50 0 EIAARN CCOC(=O)c1nc2ccccc2c(N(CC)c2cccc(C)c2)n1 ZINC000015784044 564074179 /nfs/dbraw/zinc/07/41/79/564074179.db2.gz GCBDAPVXRKQNPK-UHFFFAOYSA-N 0 0 335.407 4.273 50 0 EIAARN Cc1nnc(SCC(=O)c2cc(C)ccc2C)n1-c1ccccc1 ZINC000006109190 564074203 /nfs/dbraw/zinc/07/42/03/564074203.db2.gz BUOZIFTWBWHFKK-UHFFFAOYSA-N 0 0 337.448 4.168 50 0 EIAARN Cc1cc(OCC2N=NC(=S)N2Cc2ccccc2)ccc1Cl ZINC000013426529 564074249 /nfs/dbraw/zinc/07/42/49/564074249.db2.gz MMUDNTQFHBQCHQ-UHFFFAOYSA-N 0 0 345.855 4.156 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3Cl)c12 ZINC000012820464 564074314 /nfs/dbraw/zinc/07/43/14/564074314.db2.gz WFHJDDFDVNTXKS-UHFFFAOYSA-N 0 0 327.771 4.314 50 0 EIAARN Cc1nnc(CSc2ncnc3sc(-c4ccccc4)cc32)o1 ZINC000006114500 564074375 /nfs/dbraw/zinc/07/43/75/564074375.db2.gz PXSKOAXRGDISIT-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN CC1CCC(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000012824304 564075007 /nfs/dbraw/zinc/07/50/07/564075007.db2.gz YARVVGKJORRMEU-UHFFFAOYSA-N 0 0 342.464 4.309 50 0 EIAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1 ZINC000006126305 564075197 /nfs/dbraw/zinc/07/51/97/564075197.db2.gz YJKYOULSARLDOJ-UHFFFAOYSA-N 0 0 337.400 4.454 50 0 EIAARN Cc1c2ccccc2sc1C(=O)CSc1nnc2ccccn21 ZINC000012857025 564075565 /nfs/dbraw/zinc/07/55/65/564075565.db2.gz JDYFLKUCTQMLOK-UHFFFAOYSA-N 0 0 339.445 4.227 50 0 EIAARN CC(C)c1cc(CNC(=O)N([C@H](C)c2ccccc2F)C2CC2)on1 ZINC000086398901 564075608 /nfs/dbraw/zinc/07/56/08/564075608.db2.gz LQGOAYKVKFPZNU-CYBMUJFWSA-N 0 0 345.418 4.372 50 0 EIAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1ccco1 ZINC000012859517 564075670 /nfs/dbraw/zinc/07/56/70/564075670.db2.gz FLPSQEDVADRKAE-UHFFFAOYSA-N 0 0 332.421 4.344 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000012865763 564075830 /nfs/dbraw/zinc/07/58/30/564075830.db2.gz SUQSWCUSZRKLPV-KBPBESRZSA-N 0 0 332.394 4.346 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000012865771 564075842 /nfs/dbraw/zinc/07/58/42/564075842.db2.gz SUQSWCUSZRKLPV-KGLIPLIRSA-N 0 0 332.394 4.346 50 0 EIAARN COc1ccc(CSCCC(=O)N2CCc3ccccc32)cc1F ZINC000012868418 564075904 /nfs/dbraw/zinc/07/59/04/564075904.db2.gz QYGWJYCKPHWISN-UHFFFAOYSA-N 0 0 345.439 4.047 50 0 EIAARN Nc1c2ccccc2sc1C(=O)c1ccc(Br)cc1 ZINC000034468267 564076123 /nfs/dbraw/zinc/07/61/23/564076123.db2.gz LBVLINWFTPHELL-UHFFFAOYSA-N 0 0 332.222 4.477 50 0 EIAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)NC1CCCCC1 ZINC000012870931 564076386 /nfs/dbraw/zinc/07/63/86/564076386.db2.gz LBTOJITZLPAFAA-UHFFFAOYSA-N 0 0 347.509 4.298 50 0 EIAARN COC[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC000186215006 564076813 /nfs/dbraw/zinc/07/68/13/564076813.db2.gz YZVYLHCCYVJSPE-LBPRGKRZSA-N 0 0 347.720 4.069 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2ccc(CNC(=O)c3ccccc3)o2)c1 ZINC000015868112 564077265 /nfs/dbraw/zinc/07/72/65/564077265.db2.gz SVQXRJVVBZESCS-UHFFFAOYSA-N 0 0 348.402 4.079 50 0 EIAARN COc1ccc2oc(C)c(C(=O)Nc3ccc(OC)cc3OC)c2c1 ZINC000015880493 564077381 /nfs/dbraw/zinc/07/73/81/564077381.db2.gz MFYNQWXYYROQLY-UHFFFAOYSA-N 0 0 341.363 4.019 50 0 EIAARN CCCNC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881104 564077395 /nfs/dbraw/zinc/07/73/95/564077395.db2.gz LBJRBSVZFMAIDY-UHFFFAOYSA-N 0 0 339.435 4.119 50 0 EIAARN COc1cccc(CC(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000012884855 564077475 /nfs/dbraw/zinc/07/74/75/564077475.db2.gz GJXDFWOYEIQLPE-UHFFFAOYSA-N 0 0 325.408 4.198 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(F)c3)s2)cs1 ZINC000012887564 564077530 /nfs/dbraw/zinc/07/75/30/564077530.db2.gz KQPGJPRBVWRXPM-UHFFFAOYSA-N 0 0 332.425 4.249 50 0 EIAARN Cc1ccc(F)cc1C(=O)N(c1cccc(F)c1)C1CCOCC1 ZINC000150949526 564077744 /nfs/dbraw/zinc/07/77/44/564077744.db2.gz DSELRUJNTYPEOZ-UHFFFAOYSA-N 0 0 331.362 4.099 50 0 EIAARN C[C@@H](CCc1ccco1)NC(=O)Cc1c(Cl)cccc1Cl ZINC000012904076 564077770 /nfs/dbraw/zinc/07/77/70/564077770.db2.gz AKXALXTXUIJHAG-NSHDSACASA-N 0 0 326.223 4.266 50 0 EIAARN O=C(Nc1ccccc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000012904678 564077777 /nfs/dbraw/zinc/07/77/77/564077777.db2.gz YFNXLUSMQWXOGN-UHFFFAOYSA-N 0 0 329.359 4.385 50 0 EIAARN CCOc1c(Cl)cc(C(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000012910557 564077918 /nfs/dbraw/zinc/07/79/18/564077918.db2.gz QGARTGDVLKWJQF-INIZCTEOSA-N 0 0 345.826 4.165 50 0 EIAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(F)cc1 ZINC000012914816 564078033 /nfs/dbraw/zinc/07/80/33/564078033.db2.gz OMDLBKFZPOIHGD-UHFFFAOYSA-N 0 0 344.367 4.293 50 0 EIAARN C[C@@H](Nc1nc(-c2ccsc2)nc2ccccc21)[C@@H]1CCCO1 ZINC000012929919 564078678 /nfs/dbraw/zinc/07/86/78/564078678.db2.gz YQLNPRVKGHYXJQ-WBMJQRKESA-N 0 0 325.437 4.338 50 0 EIAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000012931288 564078770 /nfs/dbraw/zinc/07/87/70/564078770.db2.gz YTZDDGJBHRZQJV-LLVKDONJSA-N 0 0 335.190 4.058 50 0 EIAARN CCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000012932332 564078833 /nfs/dbraw/zinc/07/88/33/564078833.db2.gz XQNCKAKGNIGFHY-UHFFFAOYSA-N 0 0 337.419 4.176 50 0 EIAARN CC[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(C)cc1 ZINC000012933033 564078951 /nfs/dbraw/zinc/07/89/51/564078951.db2.gz QSPRCYNLGQEUDT-WMZOPIPTSA-N 0 0 329.827 4.219 50 0 EIAARN Cc1cccc(C(C)(C)NC(=O)N[C@@H](c2nccs2)C2CC2)c1 ZINC000074709165 564078992 /nfs/dbraw/zinc/07/89/92/564078992.db2.gz HSKFXLOJXHCKNB-OAHLLOKOSA-N 0 0 329.469 4.137 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012933507 564079085 /nfs/dbraw/zinc/07/90/85/564079085.db2.gz ORDNCZIQCKSMDD-AWEZNQCLSA-N 0 0 340.423 4.455 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000075108211 564080224 /nfs/dbraw/zinc/08/02/24/564080224.db2.gz VIMWLXBDGDXBMK-ZWKOTPCHSA-N 0 0 346.471 4.045 50 0 EIAARN Cc1csc(Nc2ccc(NC(=O)CCc3cscn3)cc2)n1 ZINC000075136849 564080467 /nfs/dbraw/zinc/08/04/67/564080467.db2.gz ABLIUAOSASVMHY-UHFFFAOYSA-N 0 0 344.465 4.223 50 0 EIAARN CC(C)CCc1noc(C2(c3cccc(Cl)c3)CCOCC2)n1 ZINC000075134668 564080548 /nfs/dbraw/zinc/08/05/48/564080548.db2.gz QFOAEPWICCYJOB-UHFFFAOYSA-N 0 0 334.847 4.408 50 0 EIAARN Cc1nnc(-c2ccc(NC(=O)c3ccc(OCC4CC4)cc3)cc2)o1 ZINC000075144326 564080733 /nfs/dbraw/zinc/08/07/33/564080733.db2.gz YHTCGJCAIXYEDS-UHFFFAOYSA-N 0 0 349.390 4.086 50 0 EIAARN CC[C@](C)(NC(=O)Nc1cccc(COC)c1)c1nc(C)cs1 ZINC000075146885 564080746 /nfs/dbraw/zinc/08/07/46/564080746.db2.gz NFWWVIBDIUVBNI-KRWDZBQOSA-N 0 0 333.457 4.045 50 0 EIAARN CC[C@@](C)(NC(=O)Nc1cccc(COC)c1)c1nc(C)cs1 ZINC000075146888 564080758 /nfs/dbraw/zinc/08/07/58/564080758.db2.gz NFWWVIBDIUVBNI-QGZVFWFLSA-N 0 0 333.457 4.045 50 0 EIAARN O=C(c1ccc2ccccc2n1)N1CCC(Sc2ccccn2)CC1 ZINC000075148125 564080795 /nfs/dbraw/zinc/08/07/95/564080795.db2.gz NCXHFUZRIVXKOW-UHFFFAOYSA-N 0 0 349.459 4.027 50 0 EIAARN O=C(Nc1cnc(Oc2ccccc2)nc1)Nc1ccc(F)cc1F ZINC000075172183 564081058 /nfs/dbraw/zinc/08/10/58/564081058.db2.gz IRDLJSGZATYQIY-UHFFFAOYSA-N 0 0 342.305 4.191 50 0 EIAARN Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1cccc(Cl)c1Cl ZINC000146365683 564081647 /nfs/dbraw/zinc/08/16/47/564081647.db2.gz KBXWFJYZPSGLEK-UHFFFAOYSA-N 0 0 347.201 4.396 50 0 EIAARN COc1cccc(NC(=O)NCc2ccc(-c3ccsc3)o2)c1 ZINC000575610573 564082576 /nfs/dbraw/zinc/08/25/76/564082576.db2.gz PWJFNFGQEFURQO-UHFFFAOYSA-N 0 0 328.393 4.338 50 0 EIAARN Cc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000006219427 564083017 /nfs/dbraw/zinc/08/30/17/564083017.db2.gz PPEDTCQBFWCQRC-UHFFFAOYSA-N 0 0 341.461 4.391 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 ZINC000006235742 564083169 /nfs/dbraw/zinc/08/31/69/564083169.db2.gz KTGJNWOMPFEZSO-LLVKDONJSA-N 0 0 343.448 4.220 50 0 EIAARN COc1cc(C)c(NC(=O)CCSc2ccc(F)cc2)cc1OC ZINC000006258967 564083308 /nfs/dbraw/zinc/08/33/08/564083308.db2.gz SRGHTXZECIOWLX-UHFFFAOYSA-N 0 0 349.427 4.272 50 0 EIAARN O=C(Cn1ccc2ccccc21)Nc1ccc(Br)cc1F ZINC000006270103 564083404 /nfs/dbraw/zinc/08/34/04/564083404.db2.gz AUVKNFNGFQMDGT-UHFFFAOYSA-N 0 0 347.187 4.182 50 0 EIAARN CC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccc(F)cc1 ZINC000006298068 564083716 /nfs/dbraw/zinc/08/37/16/564083716.db2.gz QSBOEPOPWODTEO-UHFFFAOYSA-N 0 0 344.777 4.010 50 0 EIAARN Cc1noc(C)c1CCC(=O)N[C@@H](C)Cc1csc2ccccc12 ZINC000575619356 564083814 /nfs/dbraw/zinc/08/38/14/564083814.db2.gz DGHWRWJHENDRRR-LBPRGKRZSA-N 0 0 342.464 4.186 50 0 EIAARN Cc1cccc([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN23)c1 ZINC000075403048 564084009 /nfs/dbraw/zinc/08/40/09/564084009.db2.gz ARINVHKVTMSHNG-ZWKOTPCHSA-N 0 0 326.827 4.158 50 0 EIAARN CSc1ccc([C@@H]2N3CCC[C@H]3C(=O)N2c2ccc(F)cc2)cc1 ZINC000075403020 564084010 /nfs/dbraw/zinc/08/40/10/564084010.db2.gz SBUOMQCQIFLIKP-ZWKOTPCHSA-N 0 0 342.439 4.057 50 0 EIAARN Cc1csc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000006319363 564084575 /nfs/dbraw/zinc/08/45/75/564084575.db2.gz BKISQMSQDSBMPR-QMMMGPOBSA-N 0 0 331.224 4.164 50 0 EIAARN CCc1cccc(C)c1NC(=O)C1=C(C)C(=O)OC12CCCCC2 ZINC000006772380 564084905 /nfs/dbraw/zinc/08/49/05/564084905.db2.gz BTPQMFBOYCUMCA-UHFFFAOYSA-N 0 0 327.424 4.072 50 0 EIAARN O=C(c1c(F)cccc1F)N(Cc1ccoc1)Cc1cccs1 ZINC000090612099 564085050 /nfs/dbraw/zinc/08/50/50/564085050.db2.gz NWYDNVZBBZVMGZ-UHFFFAOYSA-N 0 0 333.359 4.462 50 0 EIAARN C[C@@H](Cc1ccco1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000033208340 564085887 /nfs/dbraw/zinc/08/58/87/564085887.db2.gz SMXPQSWOCXFJGI-AWEZNQCLSA-N 0 0 331.843 4.492 50 0 EIAARN CC(C)c1nc2cc(CCC(=O)N[C@H](C)c3ccccc3)ccc2[nH]1 ZINC000075478741 564086598 /nfs/dbraw/zinc/08/65/98/564086598.db2.gz YEWIRSKQEHKKNX-OAHLLOKOSA-N 0 0 335.451 4.496 50 0 EIAARN COc1ccc2[nH]cc(C3=CCN(C(=O)C(F)=C(C)C)CC3)c2c1 ZINC000123644549 564086617 /nfs/dbraw/zinc/08/66/17/564086617.db2.gz DIKKMRNVBQMNPG-UHFFFAOYSA-N 0 0 328.387 4.056 50 0 EIAARN COc1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)cc1 ZINC000075478723 564086618 /nfs/dbraw/zinc/08/66/18/564086618.db2.gz FGTYGWZPGLLFAW-UHFFFAOYSA-N 0 0 337.423 4.266 50 0 EIAARN Cc1cnc(NC(=O)COc2cccc3c2ccn3C(C)C)s1 ZINC000253406699 564087001 /nfs/dbraw/zinc/08/70/01/564087001.db2.gz JDPTYADIUUWSAL-UHFFFAOYSA-N 0 0 329.425 4.005 50 0 EIAARN CCc1ccc([C@H](C)NC(=O)c2ccc(-c3cccnc3)nc2)cc1 ZINC000075502053 564087118 /nfs/dbraw/zinc/08/71/18/564087118.db2.gz KJTPQKQRKQCTPC-HNNXBMFYSA-N 0 0 331.419 4.197 50 0 EIAARN CC[C@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(C)cc2)N1 ZINC000001764473 564087364 /nfs/dbraw/zinc/08/73/64/564087364.db2.gz FXSVNCBUPHSAAE-KRWDZBQOSA-N 0 0 331.872 4.111 50 0 EIAARN FC(F)(F)Cn1c(SC2CCCCC2)nnc1-c1ccncc1 ZINC000064369313 564089452 /nfs/dbraw/zinc/08/94/52/564089452.db2.gz 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/nfs/dbraw/zinc/10/28/64/564102864.db2.gz XYYHYCJUSWDUEA-UHFFFAOYSA-N 0 0 344.212 4.071 50 0 EIAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(CN3CCC(C)CC3)nc(=O)c12 ZINC000007003670 564102933 /nfs/dbraw/zinc/10/29/33/564102933.db2.gz GGNLXTIIRPWPNK-GFCCVEGCSA-N 0 0 347.528 4.114 50 0 EIAARN O=C(Nc1ccsc1-c1nc(-c2ccccc2)no1)c1ccoc1 ZINC000065218832 564102950 /nfs/dbraw/zinc/10/29/50/564102950.db2.gz XOIZZMSOPDNMPY-UHFFFAOYSA-N 0 0 337.360 4.310 50 0 EIAARN CCc1ccc(C(=O)NC[C@@]2(c3ccccc3)CCCOCC2)cc1 ZINC000065226102 564103086 /nfs/dbraw/zinc/10/30/86/564103086.db2.gz FEEVBSMCVSADGU-JOCHJYFZSA-N 0 0 337.463 4.117 50 0 EIAARN CCCn1ccc2sc(C)c(C(=O)NC3CCCCCC3)c2c1=O ZINC000065230189 564103153 /nfs/dbraw/zinc/10/31/53/564103153.db2.gz BXFCEHDGHFLTEK-UHFFFAOYSA-N 0 0 346.496 4.234 50 0 EIAARN CC(C)c1noc(C2(NC(=O)c3ccc(Cl)cc3)CCCCC2)n1 ZINC000065257846 564103548 /nfs/dbraw/zinc/10/35/48/564103548.db2.gz KLGBLMQMBLGJQD-UHFFFAOYSA-N 0 0 347.846 4.436 50 0 EIAARN c1csc(CNc2nnc(-c3nc(C4CC4)no3)c3ccccc32)c1 ZINC000065258286 564103571 /nfs/dbraw/zinc/10/35/71/564103571.db2.gz GQDSDOZSVYINEW-UHFFFAOYSA-N 0 0 349.419 4.231 50 0 EIAARN COc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000007053456 564103921 /nfs/dbraw/zinc/10/39/21/564103921.db2.gz VRDXXGOQEXKWKB-UHFFFAOYSA-N 0 0 333.453 4.038 50 0 EIAARN Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000007061267 564104095 /nfs/dbraw/zinc/10/40/95/564104095.db2.gz UWMMGEIDNIQCEV-HNNXBMFYSA-N 0 0 337.448 4.300 50 0 EIAARN Cc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 ZINC000007062526 564104511 /nfs/dbraw/zinc/10/45/11/564104511.db2.gz KIEOMCAKWWMYKD-HXUWFJFHSA-N 0 0 339.435 4.283 50 0 EIAARN Cc1cc([C@@H](C)NC(=O)Nc2ccccc2Cn2cccn2)c(C)o1 ZINC000065361479 564105494 /nfs/dbraw/zinc/10/54/94/564105494.db2.gz WTWRYMGLQZFDRF-CQSZACIVSA-N 0 0 338.411 4.024 50 0 EIAARN COc1cc(C(=O)OCc2coc(-c3cccs3)n2)ccc1C ZINC000007147129 564105525 /nfs/dbraw/zinc/10/55/25/564105525.db2.gz UGFBLTDMVCGDTA-UHFFFAOYSA-N 0 0 329.377 4.077 50 0 EIAARN C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccc(F)cc1 ZINC000007192667 564105666 /nfs/dbraw/zinc/10/56/66/564105666.db2.gz RYHKFXFMHTVDKU-JTQLQIEISA-N 0 0 346.358 4.378 50 0 EIAARN COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000007223374 564105894 /nfs/dbraw/zinc/10/58/94/564105894.db2.gz YCIYZXVKMDIMDU-JTQLQIEISA-N 0 0 339.222 4.441 50 0 EIAARN C[C@H]1CCCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000007285545 564106433 /nfs/dbraw/zinc/10/64/33/564106433.db2.gz QRYXPSYULRPVIF-ZDUSSCGKSA-N 0 0 339.464 4.026 50 0 EIAARN Cc1csc([C@H]2CCCCN2C(=O)[C@H]2Cc3ccccc3S2)n1 ZINC000065519034 564106808 /nfs/dbraw/zinc/10/68/08/564106808.db2.gz JOYYNWKPCMRIIK-GDBMZVCRSA-N 0 0 344.505 4.222 50 0 EIAARN CC(C)c1noc(CCCNc2nc(C(F)F)nc3ccccc32)n1 ZINC000065528942 564106939 /nfs/dbraw/zinc/10/69/39/564106939.db2.gz ZHEOEKSBJJIQFW-UHFFFAOYSA-N 0 0 347.369 4.119 50 0 EIAARN O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1Cl ZINC000007338420 564106954 /nfs/dbraw/zinc/10/69/54/564106954.db2.gz ZUHZIOINNVPDDV-UHFFFAOYSA-N 0 0 349.173 4.400 50 0 EIAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000065566536 564107136 /nfs/dbraw/zinc/10/71/36/564107136.db2.gz HCYFCBSZTPBXIN-UHFFFAOYSA-N 0 0 340.433 4.309 50 0 EIAARN Cc1csc([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000065535902 564107207 /nfs/dbraw/zinc/10/72/07/564107207.db2.gz CWDTVQHOFJQRRN-MRXNPFEDSA-N 0 0 332.444 4.277 50 0 EIAARN COc1ccc2oc(C(=O)OCC(=O)c3ccc(C)s3)c(C)c2c1 ZINC000007391827 564107742 /nfs/dbraw/zinc/10/77/42/564107742.db2.gz QRUUGZXJFOKBQD-UHFFFAOYSA-N 0 0 344.388 4.159 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000007403988 564107940 /nfs/dbraw/zinc/10/79/40/564107940.db2.gz ZRNNWRDYBNKWDU-UHFFFAOYSA-N 0 0 349.761 4.468 50 0 EIAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2s1 ZINC000065593196 564108035 /nfs/dbraw/zinc/10/80/35/564108035.db2.gz VYOBOOWCSCHZDG-UONOGXRCSA-N 0 0 338.432 4.071 50 0 EIAARN COc1ccc2c(c1)CN(C(=O)Nc1cccc(C(F)F)c1)CC2 ZINC000065610972 564108336 /nfs/dbraw/zinc/10/83/36/564108336.db2.gz 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Cn1c2ccccc2nc1[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000170623214 564110406 /nfs/dbraw/zinc/11/04/06/564110406.db2.gz OZJNEMVQBXNKFY-KRWDZBQOSA-N 0 0 337.423 4.187 50 0 EIAARN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000170631330 564110670 /nfs/dbraw/zinc/11/06/70/564110670.db2.gz ACSWWXKIMLTEIZ-GRIAEXQCSA-N 0 0 348.531 4.096 50 0 EIAARN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000170631256 564110688 /nfs/dbraw/zinc/11/06/88/564110688.db2.gz IHNAWVBPGOALLC-KZNAEPCWSA-N 0 0 336.520 4.192 50 0 EIAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3ccccn3)s2)ccn1 ZINC000071284763 564110901 /nfs/dbraw/zinc/11/09/01/564110901.db2.gz RGYMTKMVYOIFSS-UHFFFAOYSA-N 0 0 338.436 4.113 50 0 EIAARN O=C(Nc1ccc2[nH]c(-c3cccnc3)nc2c1)c1ccc(F)cc1 ZINC000071282704 564110984 /nfs/dbraw/zinc/11/09/84/564110984.db2.gz BJTGLKCZEFHTDL-UHFFFAOYSA-N 0 0 332.338 4.016 50 0 EIAARN CC[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000013330153 564111615 /nfs/dbraw/zinc/11/16/15/564111615.db2.gz DBRKIFMTFWNOLP-AWEZNQCLSA-N 0 0 345.798 4.048 50 0 EIAARN CC[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000013330192 564111630 /nfs/dbraw/zinc/11/16/30/564111630.db2.gz AMQFZLIKWKPCOW-OAHLLOKOSA-N 0 0 346.814 4.384 50 0 EIAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)NC1CCCC1 ZINC000013331636 564111641 /nfs/dbraw/zinc/11/16/41/564111641.db2.gz JBDOUANGOHXJSL-UHFFFAOYSA-N 0 0 346.862 4.266 50 0 EIAARN COC(=O)N[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004029851 564111652 /nfs/dbraw/zinc/11/16/52/564111652.db2.gz CEZKLEHYJURHTB-OMKWMAHMSA-N 0 0 349.515 4.115 50 0 biogenic EIAARN COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c(OC)c1 ZINC000013745110 564111970 /nfs/dbraw/zinc/11/19/70/564111970.db2.gz CCNDRHUOVUIHPQ-VIFPVBQESA-N 0 0 340.832 4.301 50 0 EIAARN CN(C)[C@@H](CNc1ncnc2sccc21)c1ccccc1Cl ZINC000014075237 564112153 /nfs/dbraw/zinc/11/21/53/564112153.db2.gz QVAVLZJKPFIUOW-AWEZNQCLSA-N 0 0 332.860 4.060 50 0 EIAARN O=c1c2cc(Cl)cc(Cl)c2ncn1C/C=C/c1ccccc1 ZINC000014677091 564113246 /nfs/dbraw/zinc/11/32/46/564113246.db2.gz WFIUWIPKDUSRSB-QPJJXVBHSA-N 0 0 331.202 4.417 50 0 EIAARN Cc1nc2c(ccc3nc(NC(=O)Cc4cccs4)sc32)s1 ZINC000016837961 564113683 /nfs/dbraw/zinc/11/36/83/564113683.db2.gz FHBISMGFGYQNJI-UHFFFAOYSA-N 0 0 345.474 4.457 50 0 EIAARN Cc1cccc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 ZINC000016840056 564113744 /nfs/dbraw/zinc/11/37/44/564113744.db2.gz KKKRQMCQCZAOIW-UHFFFAOYSA-N 0 0 343.430 4.137 50 0 EIAARN O=C(c1cc(-c2ccncc2)on1)N1CCC(=Cc2ccccc2)CC1 ZINC000089828167 564114119 /nfs/dbraw/zinc/11/41/19/564114119.db2.gz ICNJSALGUNFYFV-UHFFFAOYSA-N 0 0 345.402 4.056 50 0 EIAARN Cc1nc2ccc(NC(=O)N(Cc3ccccn3)C3CC3)cc2s1 ZINC000075995731 564114214 /nfs/dbraw/zinc/11/42/14/564114214.db2.gz YZTNGNFNUGVBQB-UHFFFAOYSA-N 0 0 338.436 4.196 50 0 EIAARN Cc1csc(-c2ccc(NC(=O)Nc3c(C)n[nH]c3C)cc2)n1 ZINC000089867354 564114468 /nfs/dbraw/zinc/11/44/68/564114468.db2.gz DLPUSNHQZGQXKP-UHFFFAOYSA-N 0 0 327.413 4.102 50 0 EIAARN CC[C@H](NC(=O)N[C@H](C)c1c(C)noc1C)c1cc(F)ccc1F ZINC000076019955 564114535 /nfs/dbraw/zinc/11/45/35/564114535.db2.gz UQVGDOZWQYWLFB-PSLIRLAXSA-N 0 0 337.370 4.081 50 0 EIAARN O=C(CCc1ccco1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000089878959 564114647 /nfs/dbraw/zinc/11/46/47/564114647.db2.gz OGMLKMHGAYRKKF-LJQANCHMSA-N 0 0 340.810 4.166 50 0 EIAARN CS[C@H]1CC[C@H](NC(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 ZINC000076069473 564115355 /nfs/dbraw/zinc/11/53/55/564115355.db2.gz ISULTEVNCFGRGX-GJZGRUSLSA-N 0 0 331.441 4.056 50 0 EIAARN Cc1ccc(C2(CNC(=O)c3ccc(C)c(C)c3)CCOCC2)cc1 ZINC000016970714 564115810 /nfs/dbraw/zinc/11/58/10/564115810.db2.gz GVGXCJIFEZXDEC-UHFFFAOYSA-N 0 0 337.463 4.090 50 0 EIAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C1CCCCC1 ZINC000016992214 564115947 /nfs/dbraw/zinc/11/59/47/564115947.db2.gz QRYVVMTUZSIXPX-UHFFFAOYSA-N 0 0 346.471 4.497 50 0 EIAARN CCNC(=O)c1ccc(NCc2ccc3c(c2)CC(C)(C)O3)c(C)c1 ZINC000327654547 564116155 /nfs/dbraw/zinc/11/61/55/564116155.db2.gz WSHNDKALLSEIAJ-UHFFFAOYSA-N 0 0 338.451 4.070 50 0 EIAARN Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000017135448 564116534 /nfs/dbraw/zinc/11/65/34/564116534.db2.gz WHRZLYUXBTUNSX-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN CCc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000000150409 564116644 /nfs/dbraw/zinc/11/66/44/564116644.db2.gz BSMUCHJHFXXPMM-ZDUSSCGKSA-N 0 0 338.476 4.194 50 0 EIAARN COc1cccc2cc(C(=O)NCCc3cc4ccccc4o3)oc21 ZINC000170635387 564116803 /nfs/dbraw/zinc/11/68/03/564116803.db2.gz YZAYMGNCDCIFDQ-UHFFFAOYSA-N 0 0 335.359 4.160 50 0 EIAARN COc1ccc(CNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000001060342 564116820 /nfs/dbraw/zinc/11/68/20/564116820.db2.gz GGHIGGZFXRRWOW-INIZCTEOSA-N 0 0 325.452 4.314 50 0 EIAARN CN(C)c1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000170637477 564117395 /nfs/dbraw/zinc/11/73/95/564117395.db2.gz LVAAWWYKLOMOOV-IRXDYDNUSA-N 0 0 329.831 4.084 50 0 EIAARN CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000170637513 564117401 /nfs/dbraw/zinc/11/74/01/564117401.db2.gz XTHOYGJWQUGJEP-GOSISDBHSA-N 0 0 341.459 4.090 50 0 EIAARN CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000170637512 564117409 /nfs/dbraw/zinc/11/74/09/564117409.db2.gz XTHOYGJWQUGJEP-SFHVURJKSA-N 0 0 341.459 4.090 50 0 EIAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1 ZINC000006697787 564117428 /nfs/dbraw/zinc/11/74/28/564117428.db2.gz FMNJFBHPYJKREK-UHFFFAOYSA-N 0 0 336.395 4.179 50 0 EIAARN Cc1ccc(-c2noc(CNC(=O)CCC3CCCCC3)n2)cc1 ZINC000007759644 564117554 /nfs/dbraw/zinc/11/75/54/564117554.db2.gz FDQMTENWQGKXKZ-UHFFFAOYSA-N 0 0 327.428 4.022 50 0 EIAARN CCc1ccccc1NC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C ZINC000008021777 564117587 /nfs/dbraw/zinc/11/75/87/564117587.db2.gz TZRPBYQEJFXHIS-UHFFFAOYSA-N 0 0 334.423 4.007 50 0 EIAARN CCO[C@@H]1C[C@@H](Nc2nccc(C(F)(F)F)n2)C12CCCCC2 ZINC000170639421 564117626 /nfs/dbraw/zinc/11/76/26/564117626.db2.gz JODIFRYUSYKERB-CHWSQXEVSA-N 0 0 329.366 4.035 50 0 EIAARN Cc1ccc(OC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000000348756 564118832 /nfs/dbraw/zinc/11/88/32/564118832.db2.gz OUGGUAJHBJJJDW-UHFFFAOYSA-N 0 0 331.371 4.467 50 0 EIAARN Cc1ccc(NC(=O)N2CCCCC2)cc1NC(=O)N1CCCCC1 ZINC000000395036 564118880 /nfs/dbraw/zinc/11/88/80/564118880.db2.gz PPWYBOCLKAIBDX-UHFFFAOYSA-N 0 0 344.459 4.031 50 0 EIAARN C/C=C/C=C/C(=O)n1ccc(-c2ccc(NC(=O)/C=C\C=C\C)cc2)n1 ZINC000252474925 564118970 /nfs/dbraw/zinc/11/89/70/564118970.db2.gz ORUIGWKZVUKKEX-SPECWTKASA-N 0 0 347.418 4.393 50 0 EIAARN O=C(NC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000002544936 564119100 /nfs/dbraw/zinc/11/91/00/564119100.db2.gz LXGPETWMOWPQBR-UHFFFAOYSA-N 0 0 342.704 4.321 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC1(C)CCC1 ZINC000153487453 564119171 /nfs/dbraw/zinc/11/91/71/564119171.db2.gz SPNRLXPBICEEDX-UHFFFAOYSA-N 0 0 337.423 4.311 50 0 EIAARN COc1cccc(NC(=O)c2occc2C(C)C)c1Br ZINC000252484644 564119281 /nfs/dbraw/zinc/11/92/81/564119281.db2.gz GCKYMESTXDGNRY-UHFFFAOYSA-N 0 0 338.201 4.426 50 0 EIAARN CCO[C@H]1CCCN(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)C1 ZINC000252490310 564119479 /nfs/dbraw/zinc/11/94/79/564119479.db2.gz KOYXLGPMBAXCMW-AWEZNQCLSA-N 0 0 330.350 4.047 50 0 EIAARN c1csc(-c2nc(CN3CCOCc4ccccc43)cs2)c1 ZINC000252493580 564119651 /nfs/dbraw/zinc/11/96/51/564119651.db2.gz NDGHQTGSFOWSDL-UHFFFAOYSA-N 0 0 328.462 4.408 50 0 EIAARN CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccccc1 ZINC000252495247 564119667 /nfs/dbraw/zinc/11/96/67/564119667.db2.gz OOJGBTJVRBHWIK-UHFFFAOYSA-N 0 0 325.799 4.460 50 0 EIAARN COc1ccccc1-c1nc(Cn2ccc3ccccc3c2=O)cs1 ZINC000193570169 564119862 /nfs/dbraw/zinc/11/98/62/564119862.db2.gz ZHTMOIMPNRACCC-UHFFFAOYSA-N 0 0 348.427 4.182 50 0 EIAARN Cc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc(C(F)(F)F)c1 ZINC000252509340 564120002 /nfs/dbraw/zinc/12/00/02/564120002.db2.gz YLPFPQSJIHGEFG-UHFFFAOYSA-N 0 0 348.324 4.151 50 0 EIAARN CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000252510987 564120053 /nfs/dbraw/zinc/12/00/53/564120053.db2.gz CRXUURQUNIJLLP-ISARSNTHSA-N 0 0 340.854 4.329 50 0 EIAARN O=C(NC[C@@H]1Cc2ccccc21)c1ccccc1C(=O)c1cccs1 ZINC000170651155 564120409 /nfs/dbraw/zinc/12/04/09/564120409.db2.gz HEYMXLFDQQDHRU-HNNXBMFYSA-N 0 0 347.439 4.049 50 0 EIAARN Cc1cccc2sc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc21 ZINC000225524440 564120736 /nfs/dbraw/zinc/12/07/36/564120736.db2.gz SVOAQHAMSQQMPZ-UHFFFAOYSA-N 0 0 348.468 4.383 50 0 EIAARN C[C@H](NC(=O)CN1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000007600818 564120852 /nfs/dbraw/zinc/12/08/52/564120852.db2.gz ZMYQMDBELOOCQO-INIZCTEOSA-N 0 0 330.431 4.080 50 0 EIAARN O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000170652105 564120876 /nfs/dbraw/zinc/12/08/76/564120876.db2.gz DOBZMLAHFNMDFS-JOCHJYFZSA-N 0 0 348.446 4.208 50 0 EIAARN CCOc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000007614636 564120988 /nfs/dbraw/zinc/12/09/88/564120988.db2.gz DJNGFVFNUBGETM-UHFFFAOYSA-N 0 0 344.461 4.452 50 0 EIAARN O=C(COc1ccc(Cl)c2cccnc12)Nc1cccc(F)c1 ZINC000007612225 564120992 /nfs/dbraw/zinc/12/09/92/564120992.db2.gz WUGBNULWWBGGLB-UHFFFAOYSA-N 0 0 330.746 4.045 50 0 EIAARN CCn1c(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)nnc1C1CC1 ZINC000007618375 564121026 /nfs/dbraw/zinc/12/10/26/564121026.db2.gz SZMSJBCOEPOFLG-ZDUSSCGKSA-N 0 0 329.469 4.156 50 0 EIAARN CCn1c(S[C@H](C)C(=O)c2ccc(C)c(C)c2)nnc1C1CC1 ZINC000007618376 564121027 /nfs/dbraw/zinc/12/10/27/564121027.db2.gz SZMSJBCOEPOFLG-CYBMUJFWSA-N 0 0 329.469 4.156 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCCSCc1ccccc1 ZINC000007642816 564121483 /nfs/dbraw/zinc/12/14/83/564121483.db2.gz NSWLRWWZNAQSBD-UHFFFAOYSA-N 0 0 335.856 4.012 50 0 EIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)cc1F ZINC000007706067 564122124 /nfs/dbraw/zinc/12/21/24/564122124.db2.gz CTANWJBFNRZQKU-SNVBAGLBSA-N 0 0 332.375 4.408 50 0 EIAARN CCOC(=O)c1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)nc1 ZINC000065946594 564122432 /nfs/dbraw/zinc/12/24/32/564122432.db2.gz VDGQYSRMJRHJNO-UHFFFAOYSA-N 0 0 349.434 4.124 50 0 EIAARN Cc1ccsc1C(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007737894 564122527 /nfs/dbraw/zinc/12/25/27/564122527.db2.gz QMYKOXKABNJGQM-XUXNNNHQSA-N 0 0 332.465 4.387 50 0 EIAARN Cc1cc(C)c(NC(=O)C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(Cl)c1 ZINC000065968503 564122634 /nfs/dbraw/zinc/12/26/34/564122634.db2.gz MTCUAMKQBMGJIZ-RYTJFDOTSA-N 0 0 346.902 4.406 50 0 EIAARN Cc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1C ZINC000007757085 564122741 /nfs/dbraw/zinc/12/27/41/564122741.db2.gz KRLYHEMNVFTRJT-UHFFFAOYSA-N 0 0 326.415 4.046 50 0 EIAARN O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccccc1Cl ZINC000007757140 564122755 /nfs/dbraw/zinc/12/27/55/564122755.db2.gz HLLIGZCFIMKZEL-UHFFFAOYSA-N 0 0 332.806 4.082 50 0 EIAARN CCOc1ccc(NC(=O)CCc2ncc(C(C)(C)C)o2)c(C)c1 ZINC000195132225 564122787 /nfs/dbraw/zinc/12/27/87/564122787.db2.gz XBVMYMBMZOVLIQ-UHFFFAOYSA-N 0 0 330.428 4.251 50 0 EIAARN c1c[nH]c([C@H](Nc2cccc(N3CCCCCC3)c2)c2cccnc2)n1 ZINC000195110462 564122795 /nfs/dbraw/zinc/12/27/95/564122795.db2.gz WNWDUCFOGSHKQG-HXUWFJFHSA-N 0 0 347.466 4.387 50 0 EIAARN Cc1cc2nc(-n3cnc4cc(C)c(C)cc43)c3ccccc3n2n1 ZINC000007777089 564123029 /nfs/dbraw/zinc/12/30/29/564123029.db2.gz BZIHILHJQNTJGL-UHFFFAOYSA-N 0 0 327.391 4.147 50 0 EIAARN CC(C)n1nccc1NC(=O)c1cccnc1Sc1ccccc1 ZINC000007778736 564123045 /nfs/dbraw/zinc/12/30/45/564123045.db2.gz GYNCBXHIPPPQJH-UHFFFAOYSA-N 0 0 338.436 4.263 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000007791766 564123400 /nfs/dbraw/zinc/12/34/00/564123400.db2.gz NJNNPGIUXINZNX-UHFFFAOYSA-N 0 0 349.814 4.155 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)COc1ccccc1Cl ZINC000007796454 564123467 /nfs/dbraw/zinc/12/34/67/564123467.db2.gz MIZMTMICIWRYCY-UHFFFAOYSA-N 0 0 343.814 4.117 50 0 EIAARN Cc1cc(C)cc(C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)c1 ZINC000066036984 564123495 /nfs/dbraw/zinc/12/34/95/564123495.db2.gz NDZAIIVJVVHBMS-UHFFFAOYSA-N 0 0 346.386 4.170 50 0 EIAARN O=C(CCC1CC1)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000195531262 564123613 /nfs/dbraw/zinc/12/36/13/564123613.db2.gz OTSPRZWFDQTRHX-KRWDZBQOSA-N 0 0 327.403 4.070 50 0 EIAARN CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 ZINC000007814251 564123997 /nfs/dbraw/zinc/12/39/97/564123997.db2.gz FEJQOYHZWIZAMG-CQSZACIVSA-N 0 0 325.408 4.197 50 0 EIAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)F)cc1 ZINC000007886452 564124456 /nfs/dbraw/zinc/12/44/56/564124456.db2.gz IPDSBOZYZYUOOS-MRXNPFEDSA-N 0 0 332.350 4.265 50 0 EIAARN OCCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1 ZINC000252671972 564124816 /nfs/dbraw/zinc/12/48/16/564124816.db2.gz OTRWYCAAVFOOAB-UHFFFAOYSA-N 0 0 330.840 4.095 50 0 EIAARN Cc1[nH]nc2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000252694070 564124956 /nfs/dbraw/zinc/12/49/56/564124956.db2.gz HVPVPQFZGNASDB-GDXXKUFXSA-N 0 0 326.484 4.056 50 0 EIAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C)c(C)c1 ZINC000002721945 564125267 /nfs/dbraw/zinc/12/52/67/564125267.db2.gz VCGTYUFFEALVSJ-UHFFFAOYSA-N 0 0 336.391 4.214 50 0 EIAARN CCCCCCOC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000003090816 564125287 /nfs/dbraw/zinc/12/52/87/564125287.db2.gz NBJXJBCQHLOCCC-LJQANCHMSA-N 0 0 339.435 4.281 50 0 biogenic EIAARN O=P(NCc1cccnc1)(Oc1ccccc1)Oc1ccccc1 ZINC000002252329 564125313 /nfs/dbraw/zinc/12/53/13/564125313.db2.gz NPLHPNQORUOOKR-UHFFFAOYSA-N 0 0 340.319 4.437 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SC(C)C)o1 ZINC000002245631 564125320 /nfs/dbraw/zinc/12/53/20/564125320.db2.gz OQBCRMMXJXMVLO-MNOVXSKESA-N 0 0 329.466 4.182 50 0 EIAARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000003977936 564125676 /nfs/dbraw/zinc/12/56/76/564125676.db2.gz IMONTRJLAWHYGT-NALHQMNBSA-N 0 0 340.463 4.063 50 0 biogenic,in-man EIAARN C=C1C[C@@H]2[C@H]3CC[C@@](O)(C(C)=O)[C@]3(C)CC[C@H]2[C@]2(C)CCC(=O)C=C12 ZINC000012379270 564128968 /nfs/dbraw/zinc/12/89/68/564128968.db2.gz JKPFAFOFFYRBDB-CJBPLUAASA-N 0 0 342.479 4.005 50 0 EIAARN c1ccc(N2N=C(c3cccnc3)C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000019909981 564129070 /nfs/dbraw/zinc/12/90/70/564129070.db2.gz CEYBGCNPELFWJK-IBGZPJMESA-N 0 0 343.386 4.166 50 0 EIAARN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000145060981 564129563 /nfs/dbraw/zinc/12/95/63/564129563.db2.gz BSHQFYQSIAHNPQ-KRWDZBQOSA-N 0 0 328.799 4.211 50 0 EIAARN CCCN(CC)c1ccc(C(=O)N2CCCCC[C@@H]2C[C@H](C)O)cc1 ZINC000253418001 564130853 /nfs/dbraw/zinc/13/08/53/564130853.db2.gz FOSSMBINKPXWEE-FXAWDEMLSA-N 0 0 346.515 4.079 50 0 EIAARN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc(F)nc2F)o1 ZINC000253424334 564131049 /nfs/dbraw/zinc/13/10/49/564131049.db2.gz DSTSHVRDESFTHN-MFKMUULPSA-N 0 0 335.354 4.266 50 0 EIAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cn(C(C)C)cn1 ZINC000253431415 564131803 /nfs/dbraw/zinc/13/18/03/564131803.db2.gz QANKFBXSHLGOJK-UHFFFAOYSA-N 0 0 348.450 4.010 50 0 EIAARN Cc1nc2sc3c(c2c2nc(-c4cccnc4)nn21)[C@H](C)CCC3 ZINC000002328174 564132347 /nfs/dbraw/zinc/13/23/47/564132347.db2.gz VCGPFEVZMUYTGI-SNVBAGLBSA-N 0 0 335.436 4.149 50 0 EIAARN O=C(Nc1cccc(CC(F)(F)F)c1)c1c[nH]c(=O)c2ccccc12 ZINC000253537015 564133064 /nfs/dbraw/zinc/13/30/64/564133064.db2.gz ZUQMDZJEQATDNM-UHFFFAOYSA-N 0 0 346.308 4.298 50 0 EIAARN COc1ccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc1C ZINC000013003020 564133731 /nfs/dbraw/zinc/13/37/31/564133731.db2.gz ADIOFVVKGCXVSY-ZZXKWVIFSA-N 0 0 330.811 4.387 50 0 EIAARN CC(C)Cn1ccc2c1cccc2OCC(=O)Nc1ccc(O)cc1 ZINC000252498941 564133763 /nfs/dbraw/zinc/13/37/63/564133763.db2.gz RRLGEAPTAKEKBH-UHFFFAOYSA-N 0 0 338.407 4.020 50 0 EIAARN CC(C)=CCSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000002393860 564134480 /nfs/dbraw/zinc/13/44/80/564134480.db2.gz DDTPGTWKFAPXJW-LBPRGKRZSA-N 0 0 341.477 4.350 50 0 EIAARN Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccccc3C)no2)c1 ZINC000002402571 564134591 /nfs/dbraw/zinc/13/45/91/564134591.db2.gz RCBZWJPUDDUVKR-UHFFFAOYSA-N 0 0 335.407 4.233 50 0 EIAARN CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@@H]1CCc2ccccc21 ZINC000027823813 564134823 /nfs/dbraw/zinc/13/48/23/564134823.db2.gz SBGQMHJUORCFEY-QGFLDLQWSA-N 0 0 343.430 4.031 50 0 EIAARN COC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000007941099 564135306 /nfs/dbraw/zinc/13/53/06/564135306.db2.gz RGRSCIATXPDWID-UHFFFAOYSA-N 0 0 346.386 4.151 50 0 EIAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1Cc2ccccc2O1 ZINC000007946895 564135473 /nfs/dbraw/zinc/13/54/73/564135473.db2.gz QLPDRERINSIXPU-HXUWFJFHSA-N 0 0 331.371 4.421 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(F)ccc1C ZINC000007950498 564135527 /nfs/dbraw/zinc/13/55/27/564135527.db2.gz MXAWIZGOOQFWPU-LJQANCHMSA-N 0 0 338.382 4.037 50 0 EIAARN COC(=O)c1sccc1Oc1ccccc1NC(=O)C(C)(C)C ZINC000012855717 564135664 /nfs/dbraw/zinc/13/56/64/564135664.db2.gz UZIBXCDUQXXERR-UHFFFAOYSA-N 0 0 333.409 4.312 50 0 EIAARN C[C@@H]1[C@H](c2cccc3ccccc32)c2cc3c(cc2O[C@]1(C)O)OCO3 ZINC000012857440 564135665 /nfs/dbraw/zinc/13/56/65/564135665.db2.gz OKEDHTSICXDDKB-DZKUTHLPSA-N 0 0 348.398 4.437 50 0 EIAARN O=c1cc(C(F)(F)F)nc(SCc2cccc3ccccc32)[nH]1 ZINC000013115370 564135990 /nfs/dbraw/zinc/13/59/90/564135990.db2.gz DFVBOFWGIVJVMO-UHFFFAOYSA-N 0 0 336.338 4.234 50 0 EIAARN CCCN(CCC)C(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000002456032 564136088 /nfs/dbraw/zinc/13/60/88/564136088.db2.gz KAFZLNBYOSKZIN-UHFFFAOYSA-N 0 0 329.421 4.270 50 0 EIAARN O=C(Nc1ncccc1OCc1ccccc1)NC1CCCCC1 ZINC000013208444 564136134 /nfs/dbraw/zinc/13/61/34/564136134.db2.gz QQOUNAWNQMNJLE-UHFFFAOYSA-N 0 0 325.412 4.115 50 0 EIAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccccc1SC ZINC000013286770 564136175 /nfs/dbraw/zinc/13/61/75/564136175.db2.gz HVQMYLHXHGWHOX-HTXNQAPBSA-N 0 0 346.452 4.325 50 0 EIAARN CC(C)CNC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000013348207 564136254 /nfs/dbraw/zinc/13/62/54/564136254.db2.gz UGTCKSZVSYXQAC-UHFFFAOYSA-N 0 0 336.439 4.126 50 0 EIAARN C[C@@H](C(=O)NCc1ccco1)n1nc(-c2ccccc2)c2ccccc21 ZINC000013369656 564136329 /nfs/dbraw/zinc/13/63/29/564136329.db2.gz YDXFZCWOBCFBBU-HNNXBMFYSA-N 0 0 345.402 4.174 50 0 EIAARN CCCC(=O)N1c2nc(CC)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369971 564136347 /nfs/dbraw/zinc/13/63/47/564136347.db2.gz IDAUTPYBICCHAC-CVEARBPZSA-N 0 0 344.503 4.205 50 0 biogenic EIAARN O=C(CC1CCC2(CC1)OCCO2)N1CCCC[C@H]1c1ccccc1 ZINC000276495271 564137231 /nfs/dbraw/zinc/13/72/31/564137231.db2.gz WLDCMAQBYWOPAB-IBGZPJMESA-N 0 0 343.467 4.064 50 0 EIAARN Cc1cc([C@H]2CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000078902545 564137375 /nfs/dbraw/zinc/13/73/75/564137375.db2.gz SAWSHGZHFMYIBU-INIZCTEOSA-N 0 0 345.874 4.100 50 0 EIAARN C[C@H](OC(=O)Cc1ccc(F)c(F)c1)c1cnc2ccccc2c1 ZINC000079075385 564137825 /nfs/dbraw/zinc/13/78/25/564137825.db2.gz DCJKEEOLDIIVNC-LBPRGKRZSA-N 0 0 327.330 4.360 50 0 EIAARN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc2cnccc21 ZINC000079100227 564137877 /nfs/dbraw/zinc/13/78/77/564137877.db2.gz BUUQRDQFVAIUHT-AWEZNQCLSA-N 0 0 335.407 4.035 50 0 EIAARN Cc1c2ccccc2sc1C(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC000079107533 564137888 /nfs/dbraw/zinc/13/78/88/564137888.db2.gz YDPCAOXOHDELFU-RISCZKNCSA-N 0 0 329.421 4.045 50 0 EIAARN COC(=O)c1csc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c1 ZINC000079107828 564137937 /nfs/dbraw/zinc/13/79/37/564137937.db2.gz LEENOXIZJXTVSX-UHFFFAOYSA-N 0 0 347.411 4.124 50 0 EIAARN CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1C ZINC000079183165 564137962 /nfs/dbraw/zinc/13/79/62/564137962.db2.gz MHTGZLONLKAUDQ-JKSUJKDBSA-N 0 0 340.398 4.143 50 0 EIAARN CSCc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1 ZINC000079594130 564138275 /nfs/dbraw/zinc/13/82/75/564138275.db2.gz STUWRHJYKPFTMK-UHFFFAOYSA-N 0 0 337.448 4.202 50 0 EIAARN Cc1cnc(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)o1 ZINC000278351216 564138327 /nfs/dbraw/zinc/13/83/27/564138327.db2.gz DDUVJPDTFKLLGF-UHFFFAOYSA-N 0 0 348.446 4.134 50 0 EIAARN CCSc1ccccc1C(=O)NCc1ccnc(-c2ccncc2)c1 ZINC000390828769 564138550 /nfs/dbraw/zinc/13/85/50/564138550.db2.gz UEFPTHUSMFWQAE-UHFFFAOYSA-N 0 0 349.459 4.186 50 0 EIAARN COc1ccc(CCC(=O)NCc2ccc(-c3ccoc3)cc2)cc1 ZINC000390829848 564138628 /nfs/dbraw/zinc/13/86/28/564138628.db2.gz GZXGJVZWZBQVAU-UHFFFAOYSA-N 0 0 335.403 4.204 50 0 EIAARN CO[C@H](CNC(=O)Nc1c(F)cccc1F)c1cc2ccccc2o1 ZINC000390830166 564138645 /nfs/dbraw/zinc/13/86/45/564138645.db2.gz JEWODPUAFRNQQJ-MRXNPFEDSA-N 0 0 346.333 4.220 50 0 EIAARN CCc1cc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)cc(=O)[nH]1 ZINC000390833565 564138806 /nfs/dbraw/zinc/13/88/06/564138806.db2.gz JJXXIBLACBWCAS-LJQANCHMSA-N 0 0 344.414 4.142 50 0 EIAARN CCOc1ccc(NC(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)cc1 ZINC000095465790 564140984 /nfs/dbraw/zinc/14/09/84/564140984.db2.gz LXPCMRPRQDMANA-SJLPKXTDSA-N 0 0 334.460 4.191 50 0 EIAARN O=C(OC[C@H]1CCCO1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000095469931 564141234 /nfs/dbraw/zinc/14/12/34/564141234.db2.gz XLJZSZSLQPGDPS-OAHLLOKOSA-N 0 0 342.357 4.239 50 0 EIAARN CC(C)n1ccc2cc(C(=O)N3CCO[C@H](c4ccccc4)C3)ccc21 ZINC000095475755 564141416 /nfs/dbraw/zinc/14/14/16/564141416.db2.gz IKJLIGUZOIAARE-NRFANRHFSA-N 0 0 348.446 4.436 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2nc(Cl)sc2C(C)C)cc1 ZINC000095476123 564141439 /nfs/dbraw/zinc/14/14/39/564141439.db2.gz VOMJAZDBFVHVGC-UHFFFAOYSA-N 0 0 337.832 4.131 50 0 EIAARN CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(C)cc2)C(=S)N1 ZINC000020642128 564141713 /nfs/dbraw/zinc/14/17/13/564141713.db2.gz QZEFQHAFZQRRET-YLJYHZDGSA-N 0 0 338.476 4.492 50 0 EIAARN CSc1cc(C(=O)N2CCc3c2cccc3C(F)(F)F)ccn1 ZINC000095940115 564141966 /nfs/dbraw/zinc/14/19/66/564141966.db2.gz JNKAYWPETYSMOD-UHFFFAOYSA-N 0 0 338.354 4.025 50 0 EIAARN CC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000095946142 564142227 /nfs/dbraw/zinc/14/22/27/564142227.db2.gz BGQHNHMARIGXFQ-KRWDZBQOSA-N 0 0 343.224 4.147 50 0 EIAARN CCc1ccc(N(Cc2ccc(C)s2)C(=O)c2cc[nH]n2)cc1 ZINC000095949664 564142324 /nfs/dbraw/zinc/14/23/24/564142324.db2.gz LRPZLXJJIDCGKG-UHFFFAOYSA-N 0 0 325.437 4.189 50 0 EIAARN C[C@H](c1c(F)cccc1F)[S@@](=O)Cc1ccn(C2CCCC2)n1 ZINC000095966842 564142993 /nfs/dbraw/zinc/14/29/93/564142993.db2.gz MJIBKWVUFYBCES-SFDCACGMSA-N 0 0 338.423 4.286 50 0 EIAARN COc1ccccc1Oc1ccc(CN[C@@H](C)c2cnccn2)cc1 ZINC000095967873 564143083 /nfs/dbraw/zinc/14/30/83/564143083.db2.gz ZANBYDZPEWZJRD-HNNXBMFYSA-N 0 0 335.407 4.128 50 0 EIAARN O=C(Cn1ncc2c1CCCC2)Nc1ccc(Oc2ccccc2)cc1 ZINC000095976405 564143610 /nfs/dbraw/zinc/14/36/10/564143610.db2.gz FSUGLECRTGMBIC-UHFFFAOYSA-N 0 0 347.418 4.193 50 0 EIAARN CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000095996514 564144295 /nfs/dbraw/zinc/14/42/95/564144295.db2.gz HDQJQWKFHNGHRA-BMGDILEWSA-N 0 0 348.487 4.125 50 0 EIAARN Cc1noc(-c2ccccc2)c1C(=O)NCC(C)(C)c1ccccc1 ZINC000096011772 564144692 /nfs/dbraw/zinc/14/46/92/564144692.db2.gz LFHUQPPMDIMYTB-UHFFFAOYSA-N 0 0 334.419 4.358 50 0 EIAARN CC[C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)c2cccc(Cl)c2O1 ZINC000096010806 564144715 /nfs/dbraw/zinc/14/47/15/564144715.db2.gz LHKZKZHJRGROBG-LLVKDONJSA-N 0 0 333.819 4.004 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)N3CCCc4ccccc43)cc2)no1 ZINC000021353811 564145136 /nfs/dbraw/zinc/14/51/36/564145136.db2.gz KKTTVXUDQLAPEY-UHFFFAOYSA-N 0 0 334.379 4.030 50 0 EIAARN CC[C@@H](C(=O)NCC[C@@H](O)c1cc2ccccc2o1)c1ccccc1 ZINC000096097220 564145168 /nfs/dbraw/zinc/14/51/68/564145168.db2.gz OLXIKQTVKQHBEZ-QZTJIDSGSA-N 0 0 337.419 4.166 50 0 EIAARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(C(C)C)cc1 ZINC000096117610 564145451 /nfs/dbraw/zinc/14/54/51/564145451.db2.gz HTPBIDWPSBQOKO-UHFFFAOYSA-N 0 0 349.434 4.362 50 0 EIAARN CO[C@H]1CCCN(c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000096122499 564145617 /nfs/dbraw/zinc/14/56/17/564145617.db2.gz LKXRXDDVIQXSDN-SFHVURJKSA-N 0 0 343.402 4.085 50 0 EIAARN CC[C@](CNC(=O)NCc1ccc(Cl)cc1)(OC)c1ccccc1 ZINC000096123827 564145677 /nfs/dbraw/zinc/14/56/77/564145677.db2.gz HBXLDVHUMVNUAI-LJQANCHMSA-N 0 0 346.858 4.091 50 0 EIAARN CCOc1ccc(C2=N/C(=C\c3csc(C(C)C)n3)C(=O)O2)cc1 ZINC000096133926 564145783 /nfs/dbraw/zinc/14/57/83/564145783.db2.gz QSVGNDWNOFECNY-DHDCSXOGSA-N 0 0 342.420 4.010 50 0 EIAARN COc1ccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)c(C)c1 ZINC000096137029 564145792 /nfs/dbraw/zinc/14/57/92/564145792.db2.gz CXAFVWAGWBYWSJ-CMDGGOBGSA-N 0 0 345.464 4.341 50 0 EIAARN Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2OC(C)C)cc1 ZINC000096137185 564145815 /nfs/dbraw/zinc/14/58/15/564145815.db2.gz ZLYGRGMOHZGLIE-OUKQBFOZSA-N 0 0 331.437 4.195 50 0 EIAARN Cn1cc([C@H](CC(N)=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000096276478 564146264 /nfs/dbraw/zinc/14/62/64/564146264.db2.gz PYVOBFNVDIKYBC-OAHLLOKOSA-N 0 0 346.352 4.204 50 0 EIAARN C[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276204 564146265 /nfs/dbraw/zinc/14/62/65/564146265.db2.gz BHBLZJOJHIMACW-SNVBAGLBSA-N 0 0 345.761 4.020 50 0 EIAARN CC(C)CC(=O)Nc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1 ZINC000096277316 564146314 /nfs/dbraw/zinc/14/63/14/564146314.db2.gz BRWZNQQVMGYSFN-UHFFFAOYSA-N 0 0 349.434 4.083 50 0 EIAARN Cc1cccc(-c2noc([C@H](NC(=O)CC(C)(C)C)C(C)C)n2)c1 ZINC000096292923 564146468 /nfs/dbraw/zinc/14/64/68/564146468.db2.gz DYTCFXVZQZTUDF-MRXNPFEDSA-N 0 0 329.444 4.295 50 0 EIAARN Cc1cccc(-c2noc([C@H](NC(=O)C3CCCC3)C(C)C)n2)c1 ZINC000096292938 564146469 /nfs/dbraw/zinc/14/64/69/564146469.db2.gz LDBUBOCLFVIJBG-MRXNPFEDSA-N 0 0 327.428 4.049 50 0 EIAARN O=C(/C=C\c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000096297586 564146598 /nfs/dbraw/zinc/14/65/98/564146598.db2.gz DGKLKAGTEPRNHW-KTKRTIGZSA-N 0 0 347.443 4.150 50 0 EIAARN CO[C@@H](CNC(=O)Cc1cccc2ccccc21)c1cccc(F)c1 ZINC000096388141 564146948 /nfs/dbraw/zinc/14/69/48/564146948.db2.gz FJJVQCMJJFAAFG-FQEVSTJZSA-N 0 0 337.394 4.025 50 0 EIAARN CO[C@@](C)(CNC(=O)/C=C/c1cccs1)c1cccc(Cl)c1 ZINC000096392391 564147014 /nfs/dbraw/zinc/14/70/14/564147014.db2.gz UPRAMARLKDVLCL-IJDCCNJMSA-N 0 0 335.856 4.093 50 0 EIAARN COc1cccc(NC(=O)NC[C@](C)(OC)c2cccc(Cl)c2)c1 ZINC000096393251 564147051 /nfs/dbraw/zinc/14/70/51/564147051.db2.gz YRSBKAOARQJBCN-SFHVURJKSA-N 0 0 348.830 4.032 50 0 EIAARN O=C(/C=C\c1ccccc1F)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000096401141 564147062 /nfs/dbraw/zinc/14/70/62/564147062.db2.gz AVXKDOLNDSSPMU-WAYWQWQTSA-N 0 0 342.410 4.168 50 0 EIAARN CN(Cc1cscn1)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000096403488 564147186 /nfs/dbraw/zinc/14/71/86/564147186.db2.gz QPINXPBQCSMLDZ-UHFFFAOYSA-N 0 0 342.386 4.098 50 0 EIAARN C[C@H](c1ccccc1F)[S@@](=O)Cc1ccc(OC(F)F)cc1 ZINC000096404386 564147243 /nfs/dbraw/zinc/14/72/43/564147243.db2.gz DPSQQLOCLPCVAT-RKFFSXRUSA-N 0 0 328.355 4.437 50 0 EIAARN C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1cccc(OC(F)F)c1 ZINC000096404447 564147277 /nfs/dbraw/zinc/14/72/77/564147277.db2.gz MALOSUVOIPQDQK-SAHAZLINSA-N 0 0 328.355 4.437 50 0 EIAARN CCOCc1ccccc1NC(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000096406973 564147380 /nfs/dbraw/zinc/14/73/80/564147380.db2.gz GTVKFVHWJNXNNC-GOSISDBHSA-N 0 0 341.455 4.445 50 0 EIAARN CC[C@H](C)CN(C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000096407987 564147429 /nfs/dbraw/zinc/14/74/29/564147429.db2.gz MGLULQODDPTCIQ-LFVRLGFBSA-N 0 0 338.517 4.244 50 0 EIAARN C[S@](=O)Cc1ccc(Cl)c(NC(=O)CCCC(C)(C)C)c1 ZINC000096409252 564147542 /nfs/dbraw/zinc/14/75/42/564147542.db2.gz IFVHJUKGXQWRSG-OAQYLSRUSA-N 0 0 329.893 4.373 50 0 EIAARN C[C@H](Nc1ccc2c(c1)CCC(=O)N2C)c1ncc(-c2ccccc2)o1 ZINC000096437055 564148069 /nfs/dbraw/zinc/14/80/69/564148069.db2.gz JHCDQLYIWIYRFK-AWEZNQCLSA-N 0 0 347.418 4.424 50 0 EIAARN Cc1cc(=O)c(C(=O)N2CCC[C@H](C)c3ccccc32)cn1C1CC1 ZINC000283375091 564148925 /nfs/dbraw/zinc/14/89/25/564148925.db2.gz JSTMJZRCDNUEGM-AWEZNQCLSA-N 0 0 336.435 4.036 50 0 EIAARN COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc32)o1 ZINC000002467192 564149684 /nfs/dbraw/zinc/14/96/84/564149684.db2.gz HLJBBSFRHXZAEB-UHFFFAOYSA-N 0 0 340.360 4.048 50 0 EIAARN CCCCc1c2c(nn1-c1cc(Cl)ccc1OC)CCCC2=O ZINC000002492162 564149963 /nfs/dbraw/zinc/14/99/63/564149963.db2.gz LWGXRCSTLWQJEB-UHFFFAOYSA-N 0 0 332.831 4.396 50 0 EIAARN O=C(CCNc1cc(F)ccc1F)c1ccc(Br)cc1 ZINC000002519803 564150293 /nfs/dbraw/zinc/15/02/93/564150293.db2.gz BTUYDQAHKXCEGP-UHFFFAOYSA-N 0 0 340.167 4.412 50 0 EIAARN CCN(C(=O)c1ccnc(C)c1)[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000225720898 564150401 /nfs/dbraw/zinc/15/04/01/564150401.db2.gz ZXXCEERZVFZFTM-HXUWFJFHSA-N 0 0 349.409 4.176 50 0 EIAARN C[C@@H](Nc1cccc(OCc2ccc(F)cc2)c1)C(=O)NC(C)(C)C ZINC000028346351 564151000 /nfs/dbraw/zinc/15/10/00/564151000.db2.gz LRMXKEBHWMFSAX-CQSZACIVSA-N 0 0 344.430 4.120 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000002616523 564151134 /nfs/dbraw/zinc/15/11/34/564151134.db2.gz VUZPOBQRMXKNAC-UHFFFAOYSA-N 0 0 349.789 4.479 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000002629736 564151427 /nfs/dbraw/zinc/15/14/27/564151427.db2.gz BTURDHNYDGTYGE-UHFFFAOYSA-N 0 0 337.419 4.176 50 0 EIAARN CCc1ccc(C(=O)COc2ncnc3sc(C)c(C)c32)cc1 ZINC000002634081 564151542 /nfs/dbraw/zinc/15/15/42/564151542.db2.gz WSNIWXZPFZQWOE-UHFFFAOYSA-N 0 0 326.421 4.132 50 0 EIAARN O=C(COC(=O)c1cc2c(s1)CCCC2)c1ccc(Cl)s1 ZINC000002636904 564151591 /nfs/dbraw/zinc/15/15/91/564151591.db2.gz SMBXDHJQQQRQEO-UHFFFAOYSA-N 0 0 340.853 4.382 50 0 EIAARN O=C(CSc1ccc2ccccc2n1)Nc1ccc2c(c1)CCC2 ZINC000002640778 564151703 /nfs/dbraw/zinc/15/17/03/564151703.db2.gz QNZQXGNBVDCBTE-UHFFFAOYSA-N 0 0 334.444 4.454 50 0 EIAARN CCC(CC)c1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1 ZINC000002646111 564151819 /nfs/dbraw/zinc/15/18/19/564151819.db2.gz FZLHFXOEEUQHCY-UHFFFAOYSA-N 0 0 328.441 4.104 50 0 EIAARN COc1ccc(-c2nn(C)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000002733381 564152349 /nfs/dbraw/zinc/15/23/49/564152349.db2.gz ZTTCSLLTVBLKQZ-UHFFFAOYSA-N 0 0 328.799 4.425 50 0 EIAARN Cc1sc2ncn3nc(COc4ccccc4Cl)nc3c2c1C ZINC000002790247 564152650 /nfs/dbraw/zinc/15/26/50/564152650.db2.gz KCZYOJCGCNAUGC-UHFFFAOYSA-N 0 0 344.827 4.188 50 0 EIAARN Cc1ccccc1Cn1cc(NC(=S)N[C@@H]2CCCC[C@H]2C)cn1 ZINC000002799319 564152762 /nfs/dbraw/zinc/15/27/62/564152762.db2.gz DKHVMMHKFIWGCP-CRAIPNDOSA-N 0 0 342.512 4.105 50 0 EIAARN COc1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000057180476 564153364 /nfs/dbraw/zinc/15/33/64/564153364.db2.gz FUFQBQPWRQHEQI-UHFFFAOYSA-N 0 0 345.826 4.036 50 0 EIAARN Cc1nc(C)c([C@@H](C)NC(=O)N2CCc3sccc3[C@@H]2C)s1 ZINC000057283652 564153495 /nfs/dbraw/zinc/15/34/95/564153495.db2.gz OFZPNYLUYSOSKZ-MNOVXSKESA-N 0 0 335.498 4.211 50 0 EIAARN CCCc1nc2c(C)nn(CC)c2c(Nc2cccc(C(C)=O)c2)n1 ZINC000057355851 564153717 /nfs/dbraw/zinc/15/37/17/564153717.db2.gz DYVQAOOGVAYZAX-UHFFFAOYSA-N 0 0 337.427 4.053 50 0 EIAARN C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1cccs1 ZINC000057422937 564154242 /nfs/dbraw/zinc/15/42/42/564154242.db2.gz FUHNDTDMQKNHFW-NSHDSACASA-N 0 0 331.828 4.078 50 0 EIAARN CCc1nc2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2nc1CC ZINC000003033900 564154544 /nfs/dbraw/zinc/15/45/44/564154544.db2.gz LIDFDDYZYWYRSE-DYVFJYSZSA-N 0 0 325.456 4.063 50 0 EIAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc2nc(C)ccc2o1 ZINC000352732624 564155051 /nfs/dbraw/zinc/15/50/51/564155051.db2.gz ONCLARHTUHVBFC-UHFFFAOYSA-N 0 0 343.770 4.000 50 0 EIAARN O=P(N1CCCCC1)(N1CCCCC1)C(Cl)(Cl)Cl ZINC000003121504 564155277 /nfs/dbraw/zinc/15/52/77/564155277.db2.gz AGQPZMBXXLRYQF-UHFFFAOYSA-N 0 0 333.627 4.479 50 0 EIAARN Cc1ccc([S@](=O)CC(O)(c2ccccc2)c2ccccc2)cc1 ZINC000003128436 564155310 /nfs/dbraw/zinc/15/53/10/564155310.db2.gz OFLRZTHODSJPTL-DEOSSOPVSA-N 0 0 336.456 4.039 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccco2)c2ccccc2)c1C ZINC000057659896 564155338 /nfs/dbraw/zinc/15/53/38/564155338.db2.gz DOFYAXPWHYQHNU-UHFFFAOYSA-N 0 0 336.391 4.274 50 0 EIAARN CCCCc1nc2scc(-c3ccc(OC)c(OC)c3)c2c(=O)o1 ZINC000003204656 564155940 /nfs/dbraw/zinc/15/59/40/564155940.db2.gz KLCFCFMJPYOFJI-UHFFFAOYSA-N 0 0 345.420 4.276 50 0 EIAARN COc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000003209353 564155960 /nfs/dbraw/zinc/15/59/60/564155960.db2.gz WIPUFYBUJQZHCP-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000003217629 564156110 /nfs/dbraw/zinc/15/61/10/564156110.db2.gz XJVIDQWHTPOLJY-MRXNPFEDSA-N 0 0 331.799 4.016 50 0 EIAARN COc1cccc(CN(C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000057848825 564156147 /nfs/dbraw/zinc/15/61/47/564156147.db2.gz NRWQQLJOLLERBU-OAHLLOKOSA-N 0 0 336.435 4.188 50 0 EIAARN O=C(CSc1ccc(Br)cc1)NC1CCCCCC1 ZINC000003221696 564156197 /nfs/dbraw/zinc/15/61/97/564156197.db2.gz MHPRVMQRMHVXEG-UHFFFAOYSA-N 0 0 342.302 4.380 50 0 EIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1C[C@H]1C ZINC000003237944 564156451 /nfs/dbraw/zinc/15/64/51/564156451.db2.gz QCIJAURBVFWLQS-YPMHNXCESA-N 0 0 329.421 4.186 50 0 EIAARN O=C(CSc1nc2cc(Cl)ccc2o1)NCC1CCCCC1 ZINC000003266917 564156783 /nfs/dbraw/zinc/15/67/83/564156783.db2.gz VSSPCPVCOYNRMQ-UHFFFAOYSA-N 0 0 338.860 4.270 50 0 EIAARN CN(C)c1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1 ZINC000003273838 564156847 /nfs/dbraw/zinc/15/68/47/564156847.db2.gz IXNDAGDUTXGFKF-UHFFFAOYSA-N 0 0 338.432 4.233 50 0 EIAARN O=C(COC(=O)c1ccccc1O)c1ccc(C2CCCCC2)cc1 ZINC000003281887 564156906 /nfs/dbraw/zinc/15/69/06/564156906.db2.gz WOZIZJSDZVPVKQ-UHFFFAOYSA-N 0 0 338.403 4.480 50 0 EIAARN CCCOC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)CC ZINC000058154680 564157825 /nfs/dbraw/zinc/15/78/25/564157825.db2.gz NRNUNTRHVYYPFH-JTQLQIEISA-N 0 0 342.233 4.001 50 0 EIAARN FC(F)(F)[C@@H]1CCCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000003455682 564158230 /nfs/dbraw/zinc/15/82/30/564158230.db2.gz HTMJJNSCXMVTPQ-SNVBAGLBSA-N 0 0 341.402 4.349 50 0 EIAARN FC(F)(F)[C@H]1CCCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000003455687 564158251 /nfs/dbraw/zinc/15/82/51/564158251.db2.gz HTMJJNSCXMVTPQ-JTQLQIEISA-N 0 0 341.402 4.349 50 0 EIAARN Clc1ccc(-c2cnc(CN3CCC(c4cc[nH]n4)CC3)o2)cc1 ZINC000058265348 564158275 /nfs/dbraw/zinc/15/82/75/564158275.db2.gz BSZXXXVOOHPTFR-UHFFFAOYSA-N 0 0 342.830 4.098 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000003482842 564158389 /nfs/dbraw/zinc/15/83/89/564158389.db2.gz VLAGSQKHLOLYLW-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN COc1ccc(Cl)cc1C(=O)O[C@H](C)C(=O)c1ccc(C)cc1 ZINC000003497781 564158489 /nfs/dbraw/zinc/15/84/89/564158489.db2.gz HHJCJUVRPMCVGK-GFCCVEGCSA-N 0 0 332.783 4.085 50 0 EIAARN COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000003524302 564158710 /nfs/dbraw/zinc/15/87/10/564158710.db2.gz RRLCPLMXVWLHMY-UHFFFAOYSA-N 0 0 346.224 4.199 50 0 EIAARN CCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000003531798 564158806 /nfs/dbraw/zinc/15/88/06/564158806.db2.gz 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CCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2)cc1OCC ZINC000008031504 564162291 /nfs/dbraw/zinc/16/22/91/564162291.db2.gz BAUTZEMZUTXZGJ-INIZCTEOSA-N 0 0 341.451 4.212 50 0 EIAARN COc1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000008035493 564162295 /nfs/dbraw/zinc/16/22/95/564162295.db2.gz HEKQKRWRTRIRJB-UHFFFAOYSA-N 0 0 335.403 4.204 50 0 EIAARN Cc1noc(C)c1C(=O)NCCc1c(C)cc(C(C)(C)C)cc1C ZINC000008032158 564162304 /nfs/dbraw/zinc/16/23/04/564162304.db2.gz WQBUCPONVAYUMJ-UHFFFAOYSA-N 0 0 328.456 4.178 50 0 EIAARN COc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cn1 ZINC000008078089 564162573 /nfs/dbraw/zinc/16/25/73/564162573.db2.gz IZGSYXOBFMTBHI-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN Cc1ccc(-c2csc3ncnc(NC[C@H]4CCCO4)c23)cc1 ZINC000008079072 564162596 /nfs/dbraw/zinc/16/25/96/564162596.db2.gz XUIOXUXQZWYILE-CQSZACIVSA-N 0 0 325.437 4.258 50 0 EIAARN O=C(Nc1ccccc1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000008117935 564162751 /nfs/dbraw/zinc/16/27/51/564162751.db2.gz IYCVRNYRUXOJAT-UHFFFAOYSA-N 0 0 342.196 4.092 50 0 EIAARN CN(Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(F)cc1 ZINC000008120258 564162813 /nfs/dbraw/zinc/16/28/13/564162813.db2.gz OLYLXCLKQOTKMQ-UHFFFAOYSA-N 0 0 331.778 4.161 50 0 EIAARN Cc1sc2nc(CN3CCCC3)nc(N3CCC(C)CC3)c2c1C ZINC000008128261 564162954 /nfs/dbraw/zinc/16/29/54/564162954.db2.gz IMQOZEXYKBZCJZ-UHFFFAOYSA-N 0 0 344.528 4.140 50 0 EIAARN C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)N1CCCCCC1 ZINC000008135602 564163140 /nfs/dbraw/zinc/16/31/40/564163140.db2.gz FHTHSGYDOLXKOO-LLVKDONJSA-N 0 0 337.876 4.100 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000008140462 564163184 /nfs/dbraw/zinc/16/31/84/564163184.db2.gz KEYPRTYZRQCJRE-XJKSGUPXSA-N 0 0 332.444 4.342 50 0 EIAARN CC[C@]1(c2ccccc2)NC(=O)N([C@@H](C)c2ccccc2Cl)C1=O ZINC000008187403 564163411 /nfs/dbraw/zinc/16/34/11/564163411.db2.gz WITLVFKLGVTDPQ-ORAYPTAESA-N 0 0 342.826 4.258 50 0 EIAARN CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccco1 ZINC000008188443 564163438 /nfs/dbraw/zinc/16/34/38/564163438.db2.gz WOSVWDRDTJSIOT-UHFFFAOYSA-N 0 0 342.449 4.460 50 0 EIAARN C[C@H](Sc1ncnc2ccccc21)C(=O)c1ccc(F)c(F)c1 ZINC000008189466 564163447 /nfs/dbraw/zinc/16/34/47/564163447.db2.gz CLRBXSVBFOHTDS-JTQLQIEISA-N 0 0 330.359 4.272 50 0 EIAARN COc1ccc(-c2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 ZINC000008209174 564163559 /nfs/dbraw/zinc/16/35/59/564163559.db2.gz JLHMHZARWVILTL-UHFFFAOYSA-N 0 0 338.432 4.122 50 0 EIAARN O=C(c1cc(-c2csc(-c3ccc(F)cc3)n2)c[nH]1)N1CCCC1 ZINC000008232332 564163766 /nfs/dbraw/zinc/16/37/66/564163766.db2.gz WHKLXJFUYAMWGQ-UHFFFAOYSA-N 0 0 341.411 4.180 50 0 EIAARN Cc1ccc(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)c(C)c1 ZINC000008313904 564164192 /nfs/dbraw/zinc/16/41/92/564164192.db2.gz AZWPCEPGJPPUPU-UHFFFAOYSA-N 0 0 346.810 4.070 50 0 EIAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1F ZINC000008320321 564164268 /nfs/dbraw/zinc/16/42/68/564164268.db2.gz HRLRULJAHABTAZ-AWEZNQCLSA-N 0 0 338.835 4.316 50 0 EIAARN COc1cc(OC)c(CN[C@H]2CCSc3ccccc32)c(OC)c1 ZINC000008328524 564164470 /nfs/dbraw/zinc/16/44/70/564164470.db2.gz YZGOAMDBQLAIMD-INIZCTEOSA-N 0 0 345.464 4.039 50 0 EIAARN Cc1ccccc1-c1nnc(SCc2nc3ccccc3o2)n1C ZINC000008331487 564164549 /nfs/dbraw/zinc/16/45/49/564164549.db2.gz LXDOFWSIZZFDJA-UHFFFAOYSA-N 0 0 336.420 4.224 50 0 EIAARN Cc1noc(C)c1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000008342600 564164619 /nfs/dbraw/zinc/16/46/19/564164619.db2.gz NTVOKLDFHISHNQ-UHFFFAOYSA-N 0 0 348.446 4.172 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000008389570 564164857 /nfs/dbraw/zinc/16/48/57/564164857.db2.gz NFLOEMVYNFYCPG-UHFFFAOYSA-N 0 0 347.798 4.071 50 0 EIAARN O=C(NCCCn1ccc2ccccc21)c1cccc2cccnc21 ZINC000008404513 564165147 /nfs/dbraw/zinc/16/51/47/564165147.db2.gz NQLLEAULZJMEQL-UHFFFAOYSA-N 0 0 329.403 4.010 50 0 EIAARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)c3ccccc3)n[nH]2)cc1 ZINC000008484159 564165437 /nfs/dbraw/zinc/16/54/37/564165437.db2.gz POANNCZJNVMSGA-ZDUSSCGKSA-N 0 0 337.448 4.398 50 0 EIAARN Cc1ccc(C)c(OCCSc2n[nH]c(-c3cccs3)n2)c1 ZINC000008491741 564165466 /nfs/dbraw/zinc/16/54/66/564165466.db2.gz MZIAAVYUMPGRDK-UHFFFAOYSA-N 0 0 331.466 4.321 50 0 EIAARN Fc1ccc(-c2cc3c(N4CCc5ccccc5C4)nccn3n2)cc1 ZINC000067284952 564165540 /nfs/dbraw/zinc/16/55/40/564165540.db2.gz FQHMDFFLWIUQOQ-UHFFFAOYSA-N 0 0 344.393 4.098 50 0 EIAARN COc1ccc(OC)c([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1 ZINC000008590470 564165905 /nfs/dbraw/zinc/16/59/05/564165905.db2.gz DIAZZOAUHKEUIQ-OAQYLSRUSA-N 0 0 349.434 4.465 50 0 EIAARN Cc1ccc(C(=O)c2sc(Nc3ccc(F)cc3)nc2N)c(C)c1 ZINC000008598974 564165993 /nfs/dbraw/zinc/16/59/93/564165993.db2.gz OCHZEWQQGWNWEU-UHFFFAOYSA-N 0 0 341.411 4.456 50 0 aggregator EIAARN C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(F)cc1 ZINC000008707672 564166551 /nfs/dbraw/zinc/16/65/51/564166551.db2.gz FKRCEDBJTIVLAR-VIFPVBQESA-N 0 0 344.333 4.359 50 0 EIAARN C[C@H](Sc1nccn1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008719918 564166906 /nfs/dbraw/zinc/16/69/06/564166906.db2.gz QTZCKFPPFKAKKL-AWEZNQCLSA-N 0 0 337.448 4.206 50 0 EIAARN O=C([C@@H]1CSc2ccccc21)N(Cc1ccco1)c1ccccn1 ZINC000172329929 564167546 /nfs/dbraw/zinc/16/75/46/564167546.db2.gz ZEHPAXOFOMKVEV-MRXNPFEDSA-N 0 0 336.416 4.097 50 0 EIAARN CC(C)Sc1ncccc1C(=O)N(C)Cc1ccc(F)cc1F ZINC000040120714 564168252 /nfs/dbraw/zinc/16/82/52/564168252.db2.gz PGGUOPXRYBIZMU-UHFFFAOYSA-N 0 0 336.407 4.133 50 0 EIAARN Cc1cc(CCCNC(=O)NC(c2ccccc2)c2ccccc2)on1 ZINC000244983744 564168585 /nfs/dbraw/zinc/16/85/85/564168585.db2.gz IPHJHNUIKWTEEG-UHFFFAOYSA-N 0 0 349.434 4.004 50 0 EIAARN COc1ncccc1-c1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 ZINC000069418095 564169314 /nfs/dbraw/zinc/16/93/14/564169314.db2.gz JKZTZANYCVBYRA-UHFFFAOYSA-N 0 0 327.409 4.028 50 0 EIAARN O=C(Nc1ccc(NC2CCOCC2)cc1)Nc1cccc(F)c1 ZINC000069433176 564169435 /nfs/dbraw/zinc/16/94/35/564169435.db2.gz BNZKSDIJVAGKNQ-UHFFFAOYSA-N 0 0 329.375 4.061 50 0 EIAARN C[C@@H](c1ccccn1)N(C(=O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000069460942 564169726 /nfs/dbraw/zinc/16/97/26/564169726.db2.gz IHRYYNSIWSXNMF-ZDUSSCGKSA-N 0 0 348.368 4.395 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O=C(N1CC[C@@H](CCOc2ccccc2)C1)C1(c2ccccc2)CC1 ZINC000581788832 1021874186 /nfs/dbraw/zinc/87/41/86/1021874186.db2.gz XPNJNXVZXOTJEY-SFHVURJKSA-N 0 0 335.447 4.036 50 0 EIAARN Cc1cnc(CCNC(=O)Nc2ccccc2)n1C1CCCCCC1 ZINC000581815579 1021882715 /nfs/dbraw/zinc/88/27/15/1021882715.db2.gz OHKDJRLJHKYRTC-UHFFFAOYSA-N 0 0 340.471 4.451 50 0 EIAARN CCC[C@@H](C)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000295608698 1022373270 /nfs/dbraw/zinc/37/32/70/1022373270.db2.gz MCYXNEQXLIXTRC-SNVBAGLBSA-N 0 0 334.407 4.304 50 0 EIAARN CC(C)c1ccccc1NC(=O)/C=C/c1cc(F)cc2c1OCOC2 ZINC000014180212 1022810758 /nfs/dbraw/zinc/81/07/58/1022810758.db2.gz BWHBJKJNGGOHTD-BQYQJAHWSA-N 0 0 341.382 4.468 50 0 EIAARN Cc1cccc(NCc2cnc3ccccc3c2)c1C(=O)N1CCCC1 ZINC000296081119 1023113082 /nfs/dbraw/zinc/11/30/82/1023113082.db2.gz SPFCYFXENRSYGN-UHFFFAOYSA-N 0 0 345.446 4.391 50 0 EIAARN Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000188610217 1023339881 /nfs/dbraw/zinc/33/98/81/1023339881.db2.gz WQIPRQWKZNCEBY-UHFFFAOYSA-N 0 0 339.420 4.311 50 0 EIAARN Cc1cc2c(N)c(C(=O)Nc3cccc(Cl)c3)sc2nc1C ZINC000675029596 1023342320 /nfs/dbraw/zinc/34/23/20/1023342320.db2.gz OEAXQFQYAUHEMF-UHFFFAOYSA-N 0 0 331.828 4.401 50 0 EIAARN CCN(C(=O)Nc1nc(C2CCOCC2)cs1)C1CC(C)(C)C1 ZINC000333947019 1023983126 /nfs/dbraw/zinc/98/31/26/1023983126.db2.gz VFFFVJDHCQWJMU-UHFFFAOYSA-N 0 0 337.489 4.080 50 0 EIAARN O=S(=O)(CC=C(Cl)Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000004402429 1024094689 /nfs/dbraw/zinc/09/46/89/1024094689.db2.gz NYXMUGIIWFEROG-UHFFFAOYSA-N 0 0 335.039 4.054 50 0 EIAARN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCn4ccnc4C3)cc2)c1 ZINC000178469742 1024781373 /nfs/dbraw/zinc/78/13/73/1024781373.db2.gz SMHGNFQMRGOMMY-INIZCTEOSA-N 0 0 347.418 4.185 50 0 EIAARN CC(=O)C(=NNc1ccc(Cl)cc1)C(=S)Nc1ccccc1 ZINC000254301981 1024929189 /nfs/dbraw/zinc/92/91/89/1024929189.db2.gz PGKXGTNQSKLIHV-UHFFFAOYSA-N 0 0 331.828 4.136 50 0 EIAARN Clc1ccc2c(c1)nccc2Sc1nnnn1C1CCCC1 ZINC000008328695 1025613110 /nfs/dbraw/zinc/61/31/10/1025613110.db2.gz KRAVDDAJUVJANU-UHFFFAOYSA-N 0 0 331.832 4.141 50 0 EIAARN C[C@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)c1cc(F)ccc1F ZINC000106587471 1025741103 /nfs/dbraw/zinc/74/11/03/1025741103.db2.gz LMCXOFILVQTVSH-JTQLQIEISA-N 0 0 345.374 4.113 50 0 EIAARN CC(=O)c1cccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 ZINC000002817699 1026345674 /nfs/dbraw/zinc/34/56/74/1026345674.db2.gz KVKNEPHNDRRFMN-HZPDHXFCSA-N 0 0 348.229 4.415 50 0 EIAARN O=C(Nc1ccccc1O[C@H]1CCOC1)N1CCC2(C1)CCCCC2 ZINC000119658880 1026560726 /nfs/dbraw/zinc/56/07/26/1026560726.db2.gz UAQSQFPXHKBDSX-INIZCTEOSA-N 0 0 344.455 4.042 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)[C@H]2CCCC[C@@H]12 ZINC000248419737 1027618898 /nfs/dbraw/zinc/61/88/98/1027618898.db2.gz LGCAJUUNABPCHK-WXHSDQCUSA-N 0 0 348.497 4.309 50 0 EIAARN C[C@@H](CC(=O)N(Cc1ccncc1)C1CC1)c1c[nH]c2ccccc21 ZINC000278463710 1029284541 /nfs/dbraw/zinc/28/45/41/1029284541.db2.gz PKDSCYSBQMRSHX-HNNXBMFYSA-N 0 0 333.435 4.248 50 0 EIAARN Cn1nc(-c2ccsc2)cc1NC(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC000341650673 1029762419 /nfs/dbraw/zinc/76/24/19/1029762419.db2.gz HZQNUKMQXRPFEP-HOTGVXAUSA-N 0 0 337.448 4.281 50 0 EIAARN CC(C)Oc1ccc2c(c1)[C@H](NC(=O)c1cc[nH]c1C1CC1)CCC2 ZINC000585080986 1033536159 /nfs/dbraw/zinc/53/61/59/1033536159.db2.gz WFPFVCNRKPPIQF-LJQANCHMSA-N 0 0 338.451 4.487 50 0 EIAARN CN(C)Cc1cnc(CN(C2CC2)[C@H]2CCCc3ccccc32)s1 ZINC000347578000 1035599085 /nfs/dbraw/zinc/59/90/85/1035599085.db2.gz CLVPJXLCRHUTRG-IBGZPJMESA-N 0 0 341.524 4.247 50 0 EIAARN COc1cc(CN(C(=O)C[C@H](C)c2ccccc2)C2CC2)ccc1O ZINC000157380137 1037477102 /nfs/dbraw/zinc/47/71/02/1037477102.db2.gz SSRXHLDWDAGDGW-HNNXBMFYSA-N 0 0 339.435 4.086 50 0 EIAARN O=C(NCc1cccs1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000079938858 1037680189 /nfs/dbraw/zinc/68/01/89/1037680189.db2.gz KADROYURFONSEC-GOSISDBHSA-N 0 0 326.465 4.500 50 0 EIAARN Cn1c(C(=O)N2CCC[C@H]2c2ccncc2)ccc1-c1ccccc1 ZINC000173026417 1038050360 /nfs/dbraw/zinc/05/03/60/1038050360.db2.gz FHXSDKCANZMPDS-IBGZPJMESA-N 0 0 331.419 4.064 50 0 EIAARN CCO[C@H](C)c1nc(COc2ccnc3cc(OC)ccc32)cs1 ZINC000174124142 1038847332 /nfs/dbraw/zinc/84/73/32/1038847332.db2.gz XDPJXTSYJWRNKH-GFCCVEGCSA-N 0 0 344.436 4.376 50 0 EIAARN Cc1ccc(C)c(NC(=O)NCc2cccn2Cc2ccccc2)c1 ZINC000006917670 1039858681 /nfs/dbraw/zinc/85/86/81/1039858681.db2.gz RCGKIIKLVLSWAQ-UHFFFAOYSA-N 0 0 333.435 4.475 50 0 EIAARN Cc1cc(NC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)no1 ZINC000081524317 1040075629 /nfs/dbraw/zinc/07/56/29/1040075629.db2.gz FATUEQKIBQDMEF-UHFFFAOYSA-N 0 0 335.354 4.238 50 0 EIAARN Cc1ccc(/C=C\C(=O)OCc2csc(-c3ccccc3)n2)o1 ZINC000096499233 1040882787 /nfs/dbraw/zinc/88/27/87/1040882787.db2.gz CEOJQWUIGUSJEP-KTKRTIGZSA-N 0 0 325.389 4.468 50 0 EIAARN O=C(/C=C/c1ccc2ccccc2n1)Nc1cnc2ccccc2c1 ZINC000084595073 1041233039 /nfs/dbraw/zinc/23/30/39/1041233039.db2.gz NDPCGRVAUFKGFC-VAWYXSNFSA-N 0 0 325.371 4.435 50 0 EIAARN Cc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000618255570 1041563240 /nfs/dbraw/zinc/56/32/40/1041563240.db2.gz FRIJATWTMVJWSO-SFHVURJKSA-N 0 0 336.391 4.110 50 0 EIAARN CC(C)[C@H](NC(=O)Nc1cccnn1)c1cccc(C(F)(F)F)c1 ZINC000151776413 1042492268 /nfs/dbraw/zinc/49/22/68/1042492268.db2.gz DRAXKXGPJUDHKQ-AWEZNQCLSA-N 0 0 338.333 4.014 50 0 EIAARN Cc1cccc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000175422704 1042874939 /nfs/dbraw/zinc/87/49/39/1042874939.db2.gz ORJWNUGCBAJOGX-FQEVSTJZSA-N 0 0 335.451 4.142 50 0 EIAARN Cc1cc(NC(=O)CCCc2cccs2)ccc1N1CCCC1=O ZINC000011744376 1043141661 /nfs/dbraw/zinc/14/16/61/1043141661.db2.gz DBFQCFFYICOMAO-UHFFFAOYSA-N 0 0 342.464 4.145 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccsc1 ZINC000618256325 1043155329 /nfs/dbraw/zinc/15/53/29/1043155329.db2.gz QYCIDRUFIHBUCS-LLVKDONJSA-N 0 0 335.475 4.002 50 0 EIAARN C[C@H](Cc1cccn1C)SCCS[C@H](C)Cc1cccn1C ZINC000034133933 1043263512 /nfs/dbraw/zinc/26/35/12/1043263512.db2.gz KEGBAOOLUARJQD-HZPDHXFCSA-N 0 0 336.570 4.392 50 0 EIAARN Cc1ccc([C@@H](C)C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1 ZINC000821319270 1043929866 /nfs/dbraw/zinc/92/98/66/1043929866.db2.gz QPDGQXGANIQIEE-MRXNPFEDSA-N 0 0 338.451 4.123 50 0 EIAARN Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)cc1C ZINC000012194731 1044350287 /nfs/dbraw/zinc/35/02/87/1044350287.db2.gz MWOIKTNQSBQPPZ-LJQANCHMSA-N 0 0 344.405 4.298 50 0 EIAARN COc1cccc(C)c1C(=O)N(Cc1ccccn1)C1CCCCC1 ZINC000824792598 1044534620 /nfs/dbraw/zinc/53/46/20/1044534620.db2.gz LCYSBJXAGWEZIQ-UHFFFAOYSA-N 0 0 338.451 4.374 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N(C)C[C@@H]3Cc4ccccc4O3)cc2)o1 ZINC000825197913 1044618596 /nfs/dbraw/zinc/61/85/96/1044618596.db2.gz VLKANPSGFLNBEU-IBGZPJMESA-N 0 0 347.414 4.331 50 0 EIAARN CN(CC[C@H]1CCCCO1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000825520480 1044677878 /nfs/dbraw/zinc/67/78/78/1044677878.db2.gz ZVVWXUACFLAOKW-CQSZACIVSA-N 0 0 345.270 4.094 50 0 EIAARN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000508107125 1044838670 /nfs/dbraw/zinc/83/86/70/1044838670.db2.gz SEFCAIHZWIRMKB-ACICJQOESA-N 0 0 337.467 4.225 50 0 EIAARN Cc1ccc(CCC(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)cc1 ZINC000828065402 1044928301 /nfs/dbraw/zinc/92/83/01/1044928301.db2.gz IOXUSZMSSVEWEB-INIZCTEOSA-N 0 0 336.435 4.082 50 0 EIAARN CC(C)c1ncc(-c2cc(C(=O)N(C)C(C)C)c3ccccc3n2)cn1 ZINC000063835532 1045264905 /nfs/dbraw/zinc/26/49/05/1045264905.db2.gz SPQNOIWWOKZAMX-UHFFFAOYSA-N 0 0 348.450 4.296 50 0 EIAARN CN(C(=O)C(C)(C)C)c1ccc(OCc2noc3c2CCCC3)cc1 ZINC000154345966 1046832227 /nfs/dbraw/zinc/83/22/27/1046832227.db2.gz LHMNHXIQFJORKR-UHFFFAOYSA-N 0 0 342.439 4.141 50 0 EIAARN O=C(/C=C\c1cccc(F)c1)OCC(=O)Nc1cccc2ccccc21 ZINC000033470614 1047319504 /nfs/dbraw/zinc/31/95/04/1047319504.db2.gz YZYOBPLGLHOZIZ-QXMHVHEDSA-N 0 0 349.361 4.174 50 0 EIAARN Cc1cc(C(=O)N(c2ccccn2)C2CCCC2)nn1-c1ccccc1 ZINC000154679274 1047397703 /nfs/dbraw/zinc/39/77/03/1047397703.db2.gz CLYLXQHAPAROMD-UHFFFAOYSA-N 0 0 346.434 4.165 50 0 EIAARN CCc1nc(C)cc(N2CCC(c3nc4cccc(C)c4o3)CC2)n1 ZINC000585082540 1049393271 /nfs/dbraw/zinc/39/32/71/1049393271.db2.gz GINXTYBCPGGLNH-UHFFFAOYSA-N 0 0 336.439 4.181 50 0 EIAARN Cc1cc2sc(NC(=O)N3CCCc4occc4C3)nc2cc1F ZINC000585083927 1049406644 /nfs/dbraw/zinc/40/66/44/1049406644.db2.gz IAXBBLKRLPPOHM-UHFFFAOYSA-N 0 0 345.399 4.317 50 0 EIAARN O=C(c1cnc(-c2ccccc2)s1)N1CCC(c2ccncc2)CC1 ZINC000192288114 1049498624 /nfs/dbraw/zinc/49/86/24/1049498624.db2.gz WRJWRQHEZNDIEF-UHFFFAOYSA-N 0 0 349.459 4.225 50 0 EIAARN Cc1noc([C@H]2CCN(c3cccc(-c4ccccc4Cl)n3)C2)n1 ZINC000585092879 1049511521 /nfs/dbraw/zinc/51/15/21/1049511521.db2.gz RRWNFWTXKMRFIQ-ZDUSSCGKSA-N 0 0 340.814 4.087 50 0 EIAARN C[C@H](CC1CCCCC1)NC(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000193417113 1049514949 /nfs/dbraw/zinc/51/49/49/1049514949.db2.gz NCJUMUYRQMNUQI-CQSZACIVSA-N 0 0 345.443 4.124 50 0 EIAARN COC[C@H](C)CC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000585125943 1049593895 /nfs/dbraw/zinc/59/38/95/1049593895.db2.gz JGLMKMFSWSZIIQ-BFUOFWGJSA-N 0 0 347.842 4.033 50 0 EIAARN CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc2cc[nH]c2c1 ZINC000512707203 1049656328 /nfs/dbraw/zinc/65/63/28/1049656328.db2.gz FJADANSAIRGQDD-UHFFFAOYSA-N 0 0 342.826 4.362 50 0 EIAARN CCCC1(O)CCN(C(=O)c2sc3ccc(C)cc3c2C)CC1 ZINC000952845970 1049676983 /nfs/dbraw/zinc/67/69/83/1049676983.db2.gz WKRVVEKEOGHFLI-UHFFFAOYSA-N 0 0 331.481 4.285 50 0 EIAARN Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(-c2cccnc2)cc1)C1CC1 ZINC000952873153 1049678013 /nfs/dbraw/zinc/67/80/13/1049678013.db2.gz WAZGYGDILKONMZ-UHFFFAOYSA-N 0 0 346.478 4.264 50 0 EIAARN CCC(=O)Nc1cc(NC(=O)CCc2ccc(F)cc2F)ccc1C ZINC000952868543 1049678565 /nfs/dbraw/zinc/67/85/65/1049678565.db2.gz ABNZVRGEDAFXKE-UHFFFAOYSA-N 0 0 346.377 4.193 50 0 EIAARN CCOc1ccc(OCc2nc([C@@H]3CC34CCC4)n(C(C)C)n2)cc1 ZINC000952971632 1049683408 /nfs/dbraw/zinc/68/34/08/1049683408.db2.gz SWAYVNHYNHTSPW-KRWDZBQOSA-N 0 0 341.455 4.494 50 0 EIAARN Cc1ccc(NC(C)(C)C(=O)N2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000952965797 1049683522 /nfs/dbraw/zinc/68/35/22/1049683522.db2.gz RXXDNYDFUDLZNG-GOSISDBHSA-N 0 0 326.415 4.298 50 0 EIAARN COc1ccc(C[NH2+][C@H](CC(C)(C)C)c2cccnc2)cc1C(=O)[O-] ZINC000952966885 1049685569 /nfs/dbraw/zinc/68/55/69/1049685569.db2.gz GFVIYODLEWQNSG-QGZVFWFLSA-N 0 0 342.439 4.056 50 0 EIAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC[C@H]1c1cccnc1 ZINC000952985187 1049689332 /nfs/dbraw/zinc/68/93/32/1049689332.db2.gz QJJASLOGXLPXBT-SFHVURJKSA-N 0 0 333.435 4.465 50 0 EIAARN CCN(C[C@H]1CCCCO1)C(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000952992104 1049689717 /nfs/dbraw/zinc/68/97/17/1049689717.db2.gz WWFQPEBFRJCJDI-OAHLLOKOSA-N 0 0 349.858 4.355 50 0 EIAARN Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 ZINC000952991377 1049694869 /nfs/dbraw/zinc/69/48/69/1049694869.db2.gz OOVFGCGVWDQRMW-ZDUSSCGKSA-N 0 0 342.826 4.416 50 0 EIAARN CC1(C)C[C@H](NC(=O)Nc2ccccc2-c2ccncc2)C(C)(C)O1 ZINC000181720341 1050310883 /nfs/dbraw/zinc/31/08/83/1050310883.db2.gz NTPPTTGHKHOTLA-KRWDZBQOSA-N 0 0 339.439 4.216 50 0 EIAARN O=C(/C=C\c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCO2 ZINC000033466967 1051154104 /nfs/dbraw/zinc/15/41/04/1051154104.db2.gz SVOCRLSTVFFCJE-BAQGIRSFSA-N 0 0 335.281 4.086 50 0 EIAARN CC[C@H]1CCCN(C(=O)Nc2cn(-c3ccccc3)nc2C)CC1 ZINC000183714073 1051320647 /nfs/dbraw/zinc/32/06/47/1051320647.db2.gz NQTHODUJAXKKAW-INIZCTEOSA-N 0 0 326.444 4.225 50 0 EIAARN O=C(Nc1ccnn1C1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000081820675 1052402966 /nfs/dbraw/zinc/40/29/66/1052402966.db2.gz LUNNCHOHCQBERV-UHFFFAOYSA-N 0 0 338.455 4.241 50 0 EIAARN CCN(C(=O)c1ccc2nccc(C)c2c1)[C@@H]1CCCc2cccnc21 ZINC000367676763 1052728121 /nfs/dbraw/zinc/72/81/21/1052728121.db2.gz ZEGZGOZVOFOMIF-HXUWFJFHSA-N 0 0 345.446 4.478 50 0 EIAARN Cc1cccc(C(=O)N2CC[C@@H](CCOc3ccccc3F)C2)c1 ZINC000581788825 1059990435 /nfs/dbraw/zinc/99/04/35/1059990435.db2.gz XHZGAHIIRRAIIK-INIZCTEOSA-N 0 0 327.399 4.065 50 0 EIAARN Cc1cnc([C@@H]2CCN(C(=O)Nc3ccc(C)c(C)c3)C2)n1C(C)C ZINC000581815736 1060021546 /nfs/dbraw/zinc/02/15/46/1060021546.db2.gz HQCRGGFRHSTODP-QGZVFWFLSA-N 0 0 340.471 4.411 50 0 EIAARN Cc1cnc(CCNC(=O)NC(C)(C)C)n1C1CCCCCCC1 ZINC000581816478 1060021987 /nfs/dbraw/zinc/02/19/87/1060021987.db2.gz XFLHOODQQZQOLQ-UHFFFAOYSA-N 0 0 334.508 4.117 50 0 EIAARN CCCn1c(C)cnc1C[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581816653 1060023245 /nfs/dbraw/zinc/02/32/45/1060023245.db2.gz JJOWDQPPBVUOIP-IBGZPJMESA-N 0 0 345.531 4.353 50 0 EIAARN Cc1cnc(C[C@H]2CCCN(C(=O)Nc3ccccc3)C2)n1C(C)C ZINC000581816766 1060026159 /nfs/dbraw/zinc/02/61/59/1060026159.db2.gz OULCZHLDZDXVRR-QGZVFWFLSA-N 0 0 340.471 4.259 50 0 EIAARN Cc1cccc(NC(=O)[C@]23CCC=C2N(C2CCCC2)C(=O)CC3)c1 ZINC000581821349 1060028466 /nfs/dbraw/zinc/02/84/66/1060028466.db2.gz GVDJBDCQHHWSKK-NRFANRHFSA-N 0 0 338.451 4.163 50 0 EIAARN COc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000004740792 210266178 /nfs/dbraw/zinc/26/61/78/210266178.db2.gz SJDQDPPMVSPTIZ-UHFFFAOYSA-N 0 0 331.415 4.144 50 0 EIAARN O=C(Nc1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccco1 ZINC000051035678 214075197 /nfs/dbraw/zinc/07/51/97/214075197.db2.gz AWNRTYNXSCZYSE-UHFFFAOYSA-N 0 0 341.750 4.405 50 0 EIAARN CC(C)N(CCCc1ccccc1)C(=O)c1cccc2nccnc21 ZINC000097635043 219042590 /nfs/dbraw/zinc/04/25/90/219042590.db2.gz VKMBRVRGIAVGOJ-UHFFFAOYSA-N 0 0 333.435 4.113 50 0 EIAARN COC(=O)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000051354217 214089729 /nfs/dbraw/zinc/08/97/29/214089729.db2.gz DMIMIXQNQLDRHM-UHFFFAOYSA-N 0 0 338.285 4.136 50 0 EIAARN O=Cc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000004739222 210264261 /nfs/dbraw/zinc/26/42/61/210264261.db2.gz SVSMWRMIAOSLMK-UHFFFAOYSA-N 0 0 325.589 4.494 50 0 EIAARN Cc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364417 214090806 /nfs/dbraw/zinc/09/08/06/214090806.db2.gz KQEUQENYAQMLDM-QGZVFWFLSA-N 0 0 344.414 4.154 50 0 EIAARN C[C@H]1CN(C(=O)c2csc3c2CCCC3)C[C@H](c2ccccc2)O1 ZINC000062515460 214720893 /nfs/dbraw/zinc/72/08/93/214720893.db2.gz HCIAPUDCQYPYOG-KBXCAEBGSA-N 0 0 341.476 4.229 50 0 EIAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1nccs1 ZINC000019927194 212084835 /nfs/dbraw/zinc/08/48/35/212084835.db2.gz KTHGHDWBHVEAQD-NSHDSACASA-N 0 0 331.249 4.229 50 0 EIAARN Clc1ccccc1[C@H]1CCCN1Cc1nc(-c2cccnc2)no1 ZINC000052211344 214122958 /nfs/dbraw/zinc/12/29/58/214122958.db2.gz XXMSZCNEFSPTKA-MRXNPFEDSA-N 0 0 340.814 4.122 50 0 EIAARN CN(Cc1cccs1)C(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000052956731 214157786 /nfs/dbraw/zinc/15/77/86/214157786.db2.gz RPBHHDPZAWGLDR-UHFFFAOYSA-N 0 0 349.883 4.108 50 0 EIAARN O=C(CCc1ccccc1)NCCSCc1ccccc1Cl ZINC000004723840 210259129 /nfs/dbraw/zinc/25/91/29/210259129.db2.gz FYUCPDASCSGESQ-UHFFFAOYSA-N 0 0 333.884 4.322 50 0 EIAARN OCc1cnc(SCc2ccccc2F)n1CC1CCCCC1 ZINC000004720285 210258129 /nfs/dbraw/zinc/25/81/29/210258129.db2.gz MMCFCWXKDBFVPK-UHFFFAOYSA-N 0 0 334.460 4.387 50 0 EIAARN O=C1S[C@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1 ZINC000004713546 210255958 /nfs/dbraw/zinc/25/59/58/210255958.db2.gz NWLNPRHSHQUXJD-KRWDZBQOSA-N 0 0 334.400 4.478 50 0 EIAARN CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1)C3 ZINC000054278170 214229290 /nfs/dbraw/zinc/22/92/90/214229290.db2.gz XHYMWPFGXGGRJV-UHFFFAOYSA-N 0 0 349.430 4.324 50 0 EIAARN Cc1[nH]c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2c1C ZINC000054631665 214247073 /nfs/dbraw/zinc/24/70/73/214247073.db2.gz MDXSLUHWDVFFTP-UHFFFAOYSA-N 0 0 332.359 4.143 50 0 EIAARN CCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000054748214 214254022 /nfs/dbraw/zinc/25/40/22/214254022.db2.gz XRFSOUUNOGRPIY-ZDUSSCGKSA-N 0 0 339.464 4.207 50 0 EIAARN O=C1NC(=Cc2ccc(Cl)s2)C(=O)N1c1cccc(Cl)c1 ZINC000004699363 210251805 /nfs/dbraw/zinc/25/18/05/210251805.db2.gz VBPNHKBYIPRCPD-YRNVUSSQSA-N 0 0 339.203 4.152 50 0 EIAARN O=C(/C=C/c1ccccn1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000055036516 214264504 /nfs/dbraw/zinc/26/45/04/214264504.db2.gz RINQOEXIHNNPSN-JLHYYAGUSA-N 0 0 340.386 4.072 50 0 EIAARN CC[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000004696245 210250988 /nfs/dbraw/zinc/25/09/88/210250988.db2.gz XAAKFVUFWHOZJM-IBGZPJMESA-N 0 0 336.435 4.344 50 0 EIAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)OC1CCCC1 ZINC000055104642 214273310 /nfs/dbraw/zinc/27/33/10/214273310.db2.gz DFIVBRHRLDONSS-UHFFFAOYSA-N 0 0 329.421 4.124 50 0 EIAARN Cc1cccnc1C[C@@H](C)NC(=O)CSCc1ccccc1Cl ZINC000055119985 214276781 /nfs/dbraw/zinc/27/67/81/214276781.db2.gz NVDRDKDGZPYFMQ-CQSZACIVSA-N 0 0 348.899 4.024 50 0 EIAARN CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000055154543 214280847 /nfs/dbraw/zinc/28/08/47/214280847.db2.gz VHTCQXJGWZRDGW-AWEZNQCLSA-N 0 0 337.423 4.012 50 0 EIAARN CC[C@H](C)N(Cc1ccsc1)C(=O)c1ccc(OC)cc1OC ZINC000055227511 214292662 /nfs/dbraw/zinc/29/26/62/214292662.db2.gz ZDIYQMVJXSTXKD-ZDUSSCGKSA-N 0 0 333.453 4.206 50 0 EIAARN CCCn1cc(C(=O)N(Cc2ccccc2F)[C@@H](C)CC)c(C)n1 ZINC000055244087 214294108 /nfs/dbraw/zinc/29/41/08/214294108.db2.gz KTLQQDODINBWOJ-AWEZNQCLSA-N 0 0 331.435 4.182 50 0 EIAARN CCCCCn1cc(Oc2ccccc2)c(=O)c(C(=O)OCC)c1 ZINC000055343703 214309698 /nfs/dbraw/zinc/30/96/98/214309698.db2.gz APLMOXSPSNWBJP-UHFFFAOYSA-N 0 0 329.396 4.008 50 0 EIAARN CC(C)CCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000004691561 210248962 /nfs/dbraw/zinc/24/89/62/210248962.db2.gz FDTAJSURPXFTJV-INIZCTEOSA-N 0 0 332.488 4.327 50 0 EIAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1)CO3 ZINC000055393853 214318083 /nfs/dbraw/zinc/31/80/83/214318083.db2.gz LGLIMXNFCHHIKW-UHFFFAOYSA-N 0 0 349.430 4.406 50 0 EIAARN C[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(OCc2ccccn2)c1 ZINC000055645326 214335392 /nfs/dbraw/zinc/33/53/92/214335392.db2.gz VRRHRNTYPDYXHZ-IRXDYDNUSA-N 0 0 336.435 4.194 50 0 EIAARN Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)ccc2o1 ZINC000056255977 214367490 /nfs/dbraw/zinc/36/74/90/214367490.db2.gz JKEBDLINBRXBDG-VXGBXAGGSA-N 0 0 326.318 4.443 50 0 EIAARN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1c(F)cccc1F ZINC000057369065 214424708 /nfs/dbraw/zinc/42/47/08/214424708.db2.gz KVAAIDFALHRVAE-ZDUSSCGKSA-N 0 0 347.361 4.165 50 0 EIAARN Fc1ccccc1[C@@H]1CC(C23CC4CC(CC(C4)C2)C3)=NC(=S)N1 ZINC000004670990 210242558 /nfs/dbraw/zinc/24/25/58/210242558.db2.gz UPKAHAZHIKRGTE-UTNBAMHJSA-N 0 0 342.483 4.445 50 0 EIAARN CC[C@H](NC(=O)N(C)CC1(c2ccccc2)CC1)c1c(C)noc1C ZINC000189559409 529484999 /nfs/dbraw/zinc/48/49/99/529484999.db2.gz ZHXRDFGGBAONML-KRWDZBQOSA-N 0 0 341.455 4.116 50 0 EIAARN CC(C)NC(=O)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 ZINC000004671375 210242323 /nfs/dbraw/zinc/24/23/23/210242323.db2.gz GGEOAMUDRYELJS-QGZVFWFLSA-N 0 0 341.842 4.262 50 0 EIAARN Cc1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000058096478 214478078 /nfs/dbraw/zinc/47/80/78/214478078.db2.gz BNDNQOBIHDSIDO-UHFFFAOYSA-N 0 0 341.430 4.140 50 0 EIAARN Cc1ccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn32)cc1 ZINC000004664985 210241587 /nfs/dbraw/zinc/24/15/87/210241587.db2.gz ZMFNXIFWKBFZRG-UHFFFAOYSA-N 0 0 340.839 4.405 50 0 EIAARN Cc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccccc1Cl ZINC000004661784 210240246 /nfs/dbraw/zinc/24/02/46/210240246.db2.gz JCBDKLLAVXBOPZ-UHFFFAOYSA-N 0 0 341.846 4.280 50 0 EIAARN COc1cccc(C2=N/C(=C/c3ccc4ccccc4c3)C(=O)O2)c1 ZINC000097987549 219065602 /nfs/dbraw/zinc/06/56/02/219065602.db2.gz FWTVQSUFZOZIPG-XDHOZWIPSA-N 0 0 329.355 4.193 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCC[C@H]1C ZINC000004660355 210239820 /nfs/dbraw/zinc/23/98/20/210239820.db2.gz FVAOBAAJFRWURS-GYSYKLTISA-N 0 0 330.255 4.456 50 0 EIAARN O=C(/C=C\c1cccc(F)c1)NCCCCOc1ccc(Cl)cc1 ZINC000098001910 219067420 /nfs/dbraw/zinc/06/74/20/219067420.db2.gz CAHGZQFRWDNMTJ-WDZFZDKYSA-N 0 0 347.817 4.468 50 0 EIAARN Cc1cc(C(=O)Cn2cc(Cl)cn2)c(C)n1CCc1ccccc1 ZINC000063457290 214755821 /nfs/dbraw/zinc/75/58/21/214755821.db2.gz STNKVNSDWLWUOK-UHFFFAOYSA-N 0 0 341.842 4.080 50 0 EIAARN CCOc1cccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000098008601 219068061 /nfs/dbraw/zinc/06/80/61/219068061.db2.gz SFSXNGOAGKAPCF-RVDMUPIBSA-N 0 0 326.783 4.059 50 0 EIAARN Cc1csc(N(C(=O)/C=C\c2cncc(F)c2)c2ccccc2)n1 ZINC000098009490 219068267 /nfs/dbraw/zinc/06/82/67/219068267.db2.gz ZLNYVLMZYHUYOP-FPLPWBNLSA-N 0 0 339.395 4.364 50 0 EIAARN COc1ccccc1/C=C/C=C1\N=C(c2ccc(C)c(C)c2)OC1=O ZINC000004644479 210236760 /nfs/dbraw/zinc/23/67/60/210236760.db2.gz FCLOMKXKMNMYQS-ODQFMJPISA-N 0 0 333.387 4.213 50 0 EIAARN COc1cccc(NC(=O)N2CCc3cc(Br)ccc32)c1 ZINC000058300511 214537778 /nfs/dbraw/zinc/53/77/78/214537778.db2.gz OLFSDDQOLHEUFP-UHFFFAOYSA-N 0 0 347.212 4.052 50 0 EIAARN CCn1ccc2cc(NC(=O)c3ccc4nc(C)c(C)nc4c3)ccc21 ZINC000063486081 214757444 /nfs/dbraw/zinc/75/74/44/214757444.db2.gz ULZZEVVHKGAFJN-UHFFFAOYSA-N 0 0 344.418 4.474 50 0 EIAARN O=C(Nc1ccc(Sc2nncs2)cc1)c1c(F)cccc1F ZINC000058405451 214575828 /nfs/dbraw/zinc/57/58/28/214575828.db2.gz XGGLUEYDVGAWJC-UHFFFAOYSA-N 0 0 349.387 4.220 50 0 EIAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2-n2cccn2)o1 ZINC000058391338 214568533 /nfs/dbraw/zinc/56/85/33/214568533.db2.gz YZVBERHWTYXGFI-DYIUODAASA-N 0 0 333.391 4.241 50 0 EIAARN O=C(OC[C@@H]1CCCO1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000058426452 214585032 /nfs/dbraw/zinc/58/50/32/214585032.db2.gz XSBFKDLKNJAMBK-INIZCTEOSA-N 0 0 349.386 4.344 50 0 EIAARN CCN(CC)C(=S)S[C@@H](C)c1nc(-c2cccs2)no1 ZINC000058714147 214602368 /nfs/dbraw/zinc/60/23/68/214602368.db2.gz SWJAYKOYZGBYSJ-VIFPVBQESA-N 0 0 327.500 4.219 50 0 EIAARN CCOc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004611880 210232277 /nfs/dbraw/zinc/23/22/77/210232277.db2.gz IIQRMGJNIGQZFS-HILYYZTDSA-N 0 0 327.468 4.420 50 0 EIAARN Cn1ccnc1Sc1ccccc1NC(=O)/C=C\c1ccccc1 ZINC000098052654 219073267 /nfs/dbraw/zinc/07/32/67/219073267.db2.gz OOHPIYIASYRUCP-QXMHVHEDSA-N 0 0 335.432 4.223 50 0 EIAARN COc1ccc(CNC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000004616795 210231652 /nfs/dbraw/zinc/23/16/52/210231652.db2.gz CRKVSLCMQXBZDY-UHFFFAOYSA-N 0 0 341.263 4.489 50 0 EIAARN Cc1cccc2c(=O)[nH]c(CN[C@@H](C)c3ccc4ccccc4c3)nc12 ZINC000049609457 214022800 /nfs/dbraw/zinc/02/28/00/214022800.db2.gz MDPQYJCHDUETOF-HNNXBMFYSA-N 0 0 343.430 4.236 50 0 EIAARN O=[S@@](C/C=C\c1ccccc1)Cc1csc(-c2ccco2)n1 ZINC000098055791 219075319 /nfs/dbraw/zinc/07/53/19/219075319.db2.gz IJFHHJNPRZDGSV-HUPBUCHYSA-N 0 0 329.446 4.365 50 0 EIAARN CC[C@@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(C)cc1 ZINC000049581003 214020066 /nfs/dbraw/zinc/02/00/66/214020066.db2.gz SIACTIUKZPZONZ-MRXNPFEDSA-N 0 0 341.842 4.126 50 0 EIAARN CO[C@@](F)(C(=O)Oc1ccc2c(c1)oc1ccccc12)C(F)(F)F ZINC000004593632 210229223 /nfs/dbraw/zinc/22/92/23/210229223.db2.gz QWOJWQJXMMFGPU-HNNXBMFYSA-N 0 0 342.244 4.366 50 0 EIAARN Cc1noc(C)c1CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000004596925 210229022 /nfs/dbraw/zinc/22/90/22/210229022.db2.gz SGWXSEFFPUHHQX-UHFFFAOYSA-N 0 0 344.415 4.316 50 0 EIAARN Cc1ccc(CCC(=O)NCCCOCCc2ccccc2)c(C)c1 ZINC000059581983 214621475 /nfs/dbraw/zinc/62/14/75/214621475.db2.gz YJIOVZREWAMKIT-UHFFFAOYSA-N 0 0 339.479 4.002 50 0 EIAARN COc1cccc(C2=N/C(=C\C(Cl)=C\c3ccccc3)C(=O)O2)c1 ZINC000004588427 210227625 /nfs/dbraw/zinc/22/76/25/210227625.db2.gz KHHUKOQGSJDXLV-QHWPHCJNSA-N 0 0 339.778 4.162 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cccc(Cl)c2)o1 ZINC000049544346 214016378 /nfs/dbraw/zinc/01/63/78/214016378.db2.gz ALXFAKOHGJMSFP-GFCCVEGCSA-N 0 0 327.771 4.457 50 0 EIAARN CCc1ccc(N(C(=O)Nc2cccc(OC)c2)C2=NCCC2)cc1 ZINC000004570565 210223668 /nfs/dbraw/zinc/22/36/68/210223668.db2.gz OFQWMQUVVWRTIM-UHFFFAOYSA-N 0 0 337.423 4.488 50 0 EIAARN O=C(OCc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2F)o1 ZINC000060525997 214641669 /nfs/dbraw/zinc/64/16/69/214641669.db2.gz QLKYWUWDKPKBRT-UHFFFAOYSA-N 0 0 336.322 4.319 50 0 EIAARN CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCCO)o3)cc2C1 ZINC000060657063 214645740 /nfs/dbraw/zinc/64/57/40/214645740.db2.gz GEAFIAYZNKNWPR-NSHDSACASA-N 0 0 338.498 4.034 50 0 EIAARN Cc1ccc(-c2nc(CCNC(=O)c3cccs3)cs2)cc1 ZINC000004570717 210223059 /nfs/dbraw/zinc/22/30/59/210223059.db2.gz PBCHPJUKGKKMJJ-UHFFFAOYSA-N 0 0 328.462 4.153 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN([C@@H]2CCCc3ccccc32)CO1 ZINC000061997717 214691152 /nfs/dbraw/zinc/69/11/52/214691152.db2.gz ACEBAOYNILNPCN-LJQANCHMSA-N 0 0 347.414 4.331 50 0 biogenic EIAARN O=C1OC(c2ccccc2)=NC1=CNc1ccc(Cl)c2cccnc12 ZINC000100392325 219098190 /nfs/dbraw/zinc/09/81/90/219098190.db2.gz VMSJOMIXYDCHMM-LFIBNONCSA-N 0 0 349.777 4.145 50 0 EIAARN C[C@H]1CCc2nc(NC(=O)CSc3ccc(F)cc3)sc2C1 ZINC000004496711 210203568 /nfs/dbraw/zinc/20/35/68/210203568.db2.gz OTRSMFSRBVPDNM-JTQLQIEISA-N 0 0 336.457 4.138 50 0 EIAARN Cc1cccc(-n2c(/C=C/c3ccccn3)nc3ccccc3c2=O)c1 ZINC000004450428 210194007 /nfs/dbraw/zinc/19/40/07/210194007.db2.gz MVBMUGCZEUQKIZ-OUKQBFOZSA-N 0 0 339.398 4.260 50 0 EIAARN Cc1c2c(nn1-c1ccc(SCc3cccc(C)c3)nn1)CCC2 ZINC000064459638 214787138 /nfs/dbraw/zinc/78/71/38/214787138.db2.gz RXCADYINRFTONG-UHFFFAOYSA-N 0 0 336.464 4.060 50 0 EIAARN CN(CCCc1nc2ccccc2[nH]1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000064445649 214787196 /nfs/dbraw/zinc/78/71/96/214787196.db2.gz GCDCXXPSVCQVFZ-GOSISDBHSA-N 0 0 347.462 4.074 50 0 EIAARN CCCCOc1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1 ZINC000004421797 210191075 /nfs/dbraw/zinc/19/10/75/210191075.db2.gz RYFZMKJYMLEHAY-FOWTUZBSSA-N 0 0 327.405 4.272 50 0 EIAARN Cn1c(S[C@@H]2CCCCc3ccccc32)nnc1-c1ccncc1 ZINC000177179758 231816273 /nfs/dbraw/zinc/81/62/73/231816273.db2.gz BIMAQYBTPSXPTR-QGZVFWFLSA-N 0 0 336.464 4.437 50 0 EIAARN Clc1ccc([C@H]2CC(c3ccco3)=Nc3ncnn32)c(Cl)c1 ZINC000100835124 219108788 /nfs/dbraw/zinc/10/87/88/219108788.db2.gz BPVDODLDYWEWQW-CYBMUJFWSA-N 0 0 333.178 4.234 50 0 EIAARN CCc1noc(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1 ZINC000064580062 214794500 /nfs/dbraw/zinc/79/45/00/214794500.db2.gz HHZUICQTHXYMQG-UHFFFAOYSA-N 0 0 341.798 4.134 50 0 EIAARN CC[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O ZINC000004393235 210187784 /nfs/dbraw/zinc/18/77/84/210187784.db2.gz GYMQWQBBGPNHMF-AWEZNQCLSA-N 0 0 343.224 4.017 50 0 EIAARN COc1ccc(-n2cnc3cc(NC(=O)c4cccs4)ccc32)cc1 ZINC000004384594 210185180 /nfs/dbraw/zinc/18/51/80/210185180.db2.gz WISLUYLMQRHQMB-UHFFFAOYSA-N 0 0 349.415 4.348 50 0 EIAARN Cc1cc2c(c(C)c1)NC(=O)[C@H]2Cc1ccc(Br)cc1 ZINC000101014067 219113542 /nfs/dbraw/zinc/11/35/42/219113542.db2.gz ZELBFQKXCZPBHT-HNNXBMFYSA-N 0 0 330.225 4.344 50 0 EIAARN CCOc1c(C[C@@H]2C(=O)Nc3ccc(Cl)cc32)cccc1OC ZINC000101013848 219113822 /nfs/dbraw/zinc/11/38/22/219113822.db2.gz GZEMDGWGICCDIL-AWEZNQCLSA-N 0 0 331.799 4.026 50 0 EIAARN O=C(Nc1nnc(-c2ccsc2)o1)C1(c2cccs2)CCCC1 ZINC000049029069 213978628 /nfs/dbraw/zinc/97/86/28/213978628.db2.gz MFADVSPAJFMTIE-UHFFFAOYSA-N 0 0 345.449 4.310 50 0 EIAARN COc1cccc(-c2nc(-c3cc4cccc(C)c4nc3OC)no2)c1 ZINC000004383818 210183188 /nfs/dbraw/zinc/18/31/88/210183188.db2.gz WSFJKGJDXUTAFM-UHFFFAOYSA-N 0 0 347.374 4.277 50 0 EIAARN CC(C)n1nnc2cc(C(=O)Nc3cccc4c3CCCC4)ccc21 ZINC000064818501 214806138 /nfs/dbraw/zinc/80/61/38/214806138.db2.gz MFLJACHIINELDO-UHFFFAOYSA-N 0 0 334.423 4.143 50 0 EIAARN O=C(NC1CCCC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968043 214817188 /nfs/dbraw/zinc/81/71/88/214817188.db2.gz QHDZHRUFXKVNQC-UHFFFAOYSA-N 0 0 334.419 4.285 50 0 EIAARN Clc1cccc([C@@H]2CC(c3ccccc3)=Nc3nnnn32)c1Cl ZINC000101151718 219118072 /nfs/dbraw/zinc/11/80/72/219118072.db2.gz GMVMEMYRTOJXAZ-AWEZNQCLSA-N 0 0 344.205 4.036 50 0 EIAARN Cc1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 ZINC000004356581 210178738 /nfs/dbraw/zinc/17/87/38/210178738.db2.gz IPAABTGAAYIUCE-UHFFFAOYSA-N 0 0 336.416 4.473 50 0 EIAARN Fc1ccccc1CSc1ccc(-c2ccc3c(c2)OCO3)nn1 ZINC000004356571 210178658 /nfs/dbraw/zinc/17/86/58/210178658.db2.gz LVVLCEPDNWZQAQ-UHFFFAOYSA-N 0 0 340.379 4.304 50 0 EIAARN CC[C@H](C)NC(=O)C1(c2ccc(NC(=O)C(C)C)cc2)CCCCC1 ZINC000065027394 214823197 /nfs/dbraw/zinc/82/31/97/214823197.db2.gz WOOMNJFHHPKEJD-INIZCTEOSA-N 0 0 344.499 4.398 50 0 EIAARN Cc1ccc(C)c(NC(=O)CSc2ccc(-c3ccco3)nn2)c1 ZINC000004357745 210178463 /nfs/dbraw/zinc/17/84/63/210178463.db2.gz AWTSTIHDIFIZLS-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN CCC(=O)Nc1ccc(C2(C(=O)NCCC(C)C)CCCCC2)cc1 ZINC000065027389 214822380 /nfs/dbraw/zinc/82/23/80/214822380.db2.gz GNJAZMNBAPCGQP-UHFFFAOYSA-N 0 0 344.499 4.399 50 0 EIAARN CC(=O)COc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000004340110 210175993 /nfs/dbraw/zinc/17/59/93/210175993.db2.gz YCNUAOJVKYGGBF-UHFFFAOYSA-N 0 0 342.778 4.390 50 0 EIAARN CCC(=O)NCc1ccc(-c2noc(-c3ccc(C)cc3C)n2)s1 ZINC000065096979 214827660 /nfs/dbraw/zinc/82/76/60/214827660.db2.gz SIFKDAWXEYYOTK-UHFFFAOYSA-N 0 0 341.436 4.108 50 0 EIAARN COC(=O)c1cc(Nc2ccc(C)c(F)c2)c2cc(F)ccc2n1 ZINC000065033599 214823854 /nfs/dbraw/zinc/82/38/54/214823854.db2.gz ODZPBRNEMATOIF-UHFFFAOYSA-N 0 0 328.318 4.352 50 0 EIAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2NCc2ccccc2)n1 ZINC000065114333 214829671 /nfs/dbraw/zinc/82/96/71/214829671.db2.gz RWMYMKXCXBACNG-UHFFFAOYSA-N 0 0 335.407 4.116 50 0 EIAARN O[C@H]1CCCC[C@H]1C1(NC(=S)Nc2ccccc2)CCCCC1 ZINC000004333698 210173281 /nfs/dbraw/zinc/17/32/81/210173281.db2.gz PTBLMHUNNYYRFT-SJORKVTESA-N 0 0 332.513 4.227 50 0 EIAARN Cc1ccc(C)c(CSc2ccc3nnc(-c4ccccn4)n3n2)c1 ZINC000004327248 210172311 /nfs/dbraw/zinc/17/23/11/210172311.db2.gz SFNJGRAGQCSTLI-UHFFFAOYSA-N 0 0 347.447 4.095 50 0 EIAARN O=C(Nc1cc(-c2ccccn2)no1)c1ccc(C(F)(F)F)cc1 ZINC000065152904 214833288 /nfs/dbraw/zinc/83/32/88/214833288.db2.gz PKEDSKRQXQAUIG-UHFFFAOYSA-N 0 0 333.269 4.008 50 0 EIAARN COCCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004322839 210170924 /nfs/dbraw/zinc/17/09/24/210170924.db2.gz BRDVYBHWADZIJI-UHFFFAOYSA-N 0 0 340.206 4.271 50 0 EIAARN COc1cc(C2=NC(=S)C(c3ccccc3)N2)cc(OC)c1OC ZINC000101415946 219126612 /nfs/dbraw/zinc/12/66/12/219126612.db2.gz FAHSYDKWHMBNPD-UHFFFAOYSA-N 0 0 342.420 4.058 50 0 EIAARN Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1C ZINC000004322963 210170709 /nfs/dbraw/zinc/17/07/09/210170709.db2.gz XLMDRYLXGUNKFV-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN Cc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1Cl ZINC000004320738 210169841 /nfs/dbraw/zinc/16/98/41/210169841.db2.gz ZCMCCAUSIVNJAR-OAHLLOKOSA-N 0 0 346.839 4.090 50 0 EIAARN Clc1ccccc1-c1noc(Cc2nnc(-c3ccccc3)o2)n1 ZINC000065185339 214840187 /nfs/dbraw/zinc/84/01/87/214840187.db2.gz WKXCMRNRNSKMNO-UHFFFAOYSA-N 0 0 338.754 4.031 50 0 EIAARN CC(C)(C)CC(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000004305440 210164987 /nfs/dbraw/zinc/16/49/87/210164987.db2.gz AASZPJPTXNEOAI-QGZVFWFLSA-N 0 0 342.508 4.404 50 0 EIAARN CC(C)CC(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 ZINC000004305483 210164805 /nfs/dbraw/zinc/16/48/05/210164805.db2.gz IHTVGLZDRITZCF-KRWDZBQOSA-N 0 0 328.481 4.014 50 0 EIAARN CCc1nc2c3ccccc3oc2c(Sc2nc(C)cc(C)n2)n1 ZINC000004296012 210164163 /nfs/dbraw/zinc/16/41/63/210164163.db2.gz DXTSHXQVVCZYRU-UHFFFAOYSA-N 0 0 336.420 4.496 50 0 EIAARN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000048344197 213926516 /nfs/dbraw/zinc/92/65/16/213926516.db2.gz WWVYPDHCONDYNJ-LBPRGKRZSA-N 0 0 338.363 4.102 50 0 EIAARN COc1ccc2ncc(C(=O)c3ccccc3)c(N3CCCCC3)c2c1 ZINC000101551757 219134728 /nfs/dbraw/zinc/13/47/28/219134728.db2.gz POLFQYRHMWDSEA-UHFFFAOYSA-N 0 0 346.430 4.465 50 0 EIAARN Cc1cc(C)cc(Nc2c(-c3ccc(O)cc3)nc3cnccn32)c1 ZINC000065323266 214870828 /nfs/dbraw/zinc/87/08/28/214870828.db2.gz OGHKJJFUQUAFOQ-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)o1 ZINC000048236895 213900463 /nfs/dbraw/zinc/90/04/63/213900463.db2.gz HBDRSQDHBKFAQO-YOEHRIQHSA-N 0 0 337.423 4.009 50 0 EIAARN CC[C@H](COC)n1cnc(-c2ccccc2)c1-c1cccc2nonc21 ZINC000065384465 214882700 /nfs/dbraw/zinc/88/27/00/214882700.db2.gz TWNJMYPWNMQFMW-OAHLLOKOSA-N 0 0 348.406 4.351 50 0 EIAARN COc1c(F)cc(-c2c(-c3ccccc3)ncn2CCO)cc1Cl ZINC000065432004 214907032 /nfs/dbraw/zinc/90/70/32/214907032.db2.gz YNGOLYDUNPKOAV-UHFFFAOYSA-N 0 0 346.789 4.011 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)ns1)Nc1cccc(F)c1 ZINC000004167234 210136275 /nfs/dbraw/zinc/13/62/75/210136275.db2.gz JBHIXFCUIFAREQ-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN O=C1C[C@H](c2ccccc2C(F)(F)F)c2cnn(C3CCCC3)c2N1 ZINC000065489983 214929506 /nfs/dbraw/zinc/92/95/06/214929506.db2.gz UGBNFMVQEXJKDL-CYBMUJFWSA-N 0 0 349.356 4.491 50 0 EIAARN O=c1nc(C(F)(F)F)cc(C=Cc2ccc(Br)cc2)[nH]1 ZINC000004147219 210132876 /nfs/dbraw/zinc/13/28/76/210132876.db2.gz VTCNXOYHQZLWND-ZZXKWVIFSA-N 0 0 345.118 4.134 50 0 EIAARN CO[C@](F)(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC000004141914 210131292 /nfs/dbraw/zinc/13/12/92/210131292.db2.gz UBUXXUMYLQEXBP-OAHLLOKOSA-N 0 0 343.276 4.292 50 0 EIAARN Cc1cc2cc(CNC(=O)c3ccc(Br)cc3)ccc2[nH]1 ZINC000004138050 210129849 /nfs/dbraw/zinc/12/98/49/210129849.db2.gz HZEYVSHVCHFZGX-UHFFFAOYSA-N 0 0 343.224 4.169 50 0 EIAARN CCSCc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000065531825 214950119 /nfs/dbraw/zinc/95/01/19/214950119.db2.gz UNURJZXHOZENHA-MRXNPFEDSA-N 0 0 346.521 4.416 50 0 EIAARN O=C(c1cccc(F)c1)N1CCN=C1SCc1cccc(Cl)c1 ZINC000004120621 210126394 /nfs/dbraw/zinc/12/63/94/210126394.db2.gz OLNWCLTZBPAISJ-UHFFFAOYSA-N 0 0 348.830 4.224 50 0 EIAARN CCN1c2ccccc2[C@H](Cc2ccc(Br)cc2)C1=O ZINC000101728457 219159852 /nfs/dbraw/zinc/15/98/52/219159852.db2.gz WNYKVXTZMKUTDO-HNNXBMFYSA-N 0 0 330.225 4.142 50 0 EIAARN CN(C)c1c(Cl)cccc1NC(=O)CNc1ccccc1Cl ZINC000065591629 214971696 /nfs/dbraw/zinc/97/16/96/214971696.db2.gz GCSMMQLPXLKWDR-UHFFFAOYSA-N 0 0 338.238 4.110 50 0 EIAARN Cc1ccccc1CSC1=NCCN1C(=O)c1ccc(Cl)cc1 ZINC000004120023 210124443 /nfs/dbraw/zinc/12/44/43/210124443.db2.gz ACTKYSZQKOICGK-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN Cc1ccc([C@@](O)(c2nc3ccccc3n2C)c2ccccc2)cc1 ZINC000004115299 210123321 /nfs/dbraw/zinc/12/33/21/210123321.db2.gz YNVSRVMOTYBHLD-JOCHJYFZSA-N 0 0 328.415 4.166 50 0 EIAARN Cc1ccoc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C ZINC000065620652 214982299 /nfs/dbraw/zinc/98/22/99/214982299.db2.gz XCEORCONEHMNPE-ZDUSSCGKSA-N 0 0 340.423 4.021 50 0 EIAARN Cc1nn(C)c(Cl)c1NC(=O)OCc1ccc(Cl)cc1Cl ZINC000004088928 210117672 /nfs/dbraw/zinc/11/76/72/210117672.db2.gz HLYZKMCHUPJAEN-UHFFFAOYSA-N 0 0 348.617 4.437 50 0 EIAARN COc1ccc([C@H]2Cc3oc(C(=O)OC(C)C)c(C)c3C(=O)C2)cc1 ZINC000004087539 210115806 /nfs/dbraw/zinc/11/58/06/210115806.db2.gz UHFXMPVUNSPYSV-CQSZACIVSA-N 0 0 342.391 4.075 50 0 biogenic EIAARN Cc1nc2ccc(NC(=O)c3ccc4ncsc4c3)cc2s1 ZINC000004088335 210117564 /nfs/dbraw/zinc/11/75/64/210117564.db2.gz LLRXERJRESFUDV-UHFFFAOYSA-N 0 0 325.418 4.467 50 0 EIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(F)c1 ZINC000004072192 210113833 /nfs/dbraw/zinc/11/38/33/210113833.db2.gz RJJVIGMUWINOKN-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN COc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 ZINC000004072145 210113332 /nfs/dbraw/zinc/11/33/32/210113332.db2.gz ZQHGQFIACJOAHB-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN CSc1cc(C[S@@](=O)c2ccccc2)nc(-c2ccccc2)n1 ZINC000004060085 210110658 /nfs/dbraw/zinc/11/06/58/210110658.db2.gz KLCTYOKSMNQXPF-QHCPKHFHSA-N 0 0 340.473 4.173 50 0 EIAARN Cc1cc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)ccc2n1C ZINC000004061531 210110661 /nfs/dbraw/zinc/11/06/61/210110661.db2.gz FGSFSZJSJQRBFP-UHFFFAOYSA-N 0 0 346.352 4.436 50 0 EIAARN CCCCOc1ccc2oc(C)c(C(=O)NCc3cccnc3)c2c1 ZINC000046086091 213779807 /nfs/dbraw/zinc/77/98/07/213779807.db2.gz XNBVZBBVQPNSFF-UHFFFAOYSA-N 0 0 338.407 4.245 50 0 EIAARN COc1cc2c(cc1C(=O)Nc1cccc(Cl)c1C)OCCCO2 ZINC000046077818 213778817 /nfs/dbraw/zinc/77/88/17/213778817.db2.gz MXTGCBKWJYVQQX-UHFFFAOYSA-N 0 0 347.798 4.071 50 0 EIAARN Cc1c(-c2cccc(NC(=O)c3ccc(C)cc3)c2)nc2ncccn12 ZINC000004033185 210104032 /nfs/dbraw/zinc/10/40/32/210104032.db2.gz GUAACSHJCPBMBJ-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1OC ZINC000046018370 213774374 /nfs/dbraw/zinc/77/43/74/213774374.db2.gz HKODYOMTXVHDGM-KRWDZBQOSA-N 0 0 340.423 4.381 50 0 EIAARN CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004025549 210101233 /nfs/dbraw/zinc/10/12/33/210101233.db2.gz LMVLICSGVDWDSM-ZBJWQKIUSA-N 0 0 344.495 4.037 50 0 in-vitro EIAARN O=C(NCc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)no1 ZINC000066088960 215009261 /nfs/dbraw/zinc/00/92/61/215009261.db2.gz GNCNBQYPZHCQOY-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN COc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cccnc3)c(C)c2c1 ZINC000004000498 210099040 /nfs/dbraw/zinc/09/90/40/210099040.db2.gz KLTQAXGPJYPQGP-LJQANCHMSA-N 0 0 349.434 4.247 50 0 biogenic EIAARN Cc1cccn(C(=O)C2CCCCC2)/c1=N/C(=O)C1CCCCC1 ZINC000101962580 219176652 /nfs/dbraw/zinc/17/66/52/219176652.db2.gz BLPJMMZOQFMVNH-DYTRJAOYSA-N 0 0 328.456 4.025 50 0 EIAARN CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn21 ZINC000003948099 210094607 /nfs/dbraw/zinc/09/46/07/210094607.db2.gz UACOXBQBNWQWOK-UHFFFAOYSA-N 0 0 340.333 4.453 50 0 EIAARN CCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000003896708 210086101 /nfs/dbraw/zinc/08/61/01/210086101.db2.gz SJALNXBEQFPSCK-INIZCTEOSA-N 0 0 335.451 4.289 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003878066 210081620 /nfs/dbraw/zinc/08/16/20/210081620.db2.gz AXZGVNOMZPFYGP-UHFFFAOYSA-N 0 0 328.481 4.024 50 0 EIAARN CCc1ocnc1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2 ZINC000102183939 219189910 /nfs/dbraw/zinc/18/99/10/219189910.db2.gz HQMSOVAHYVZQER-MUJYYYPQSA-N 0 0 342.414 4.235 50 0 EIAARN CCn1c(CSc2nnc(C(C)(C)C)o2)nc2cc(F)ccc21 ZINC000066256563 215028036 /nfs/dbraw/zinc/02/80/36/215028036.db2.gz XTKUXKOGBGZEKV-UHFFFAOYSA-N 0 0 334.420 4.168 50 0 EIAARN CCCNC(=O)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000003764149 210073252 /nfs/dbraw/zinc/07/32/52/210073252.db2.gz IGCHEKBYQJDGIF-YJBOKZPZSA-N 0 0 327.472 4.315 50 0 EIAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2)o1 ZINC000003580241 210058895 /nfs/dbraw/zinc/05/88/95/210058895.db2.gz GYXNNTGDLYZBSM-UHFFFAOYSA-N 0 0 340.404 4.240 50 0 EIAARN CSc1nnc(SCC(=O)Nc2cccc3ccccc32)s1 ZINC000003552554 210052867 /nfs/dbraw/zinc/05/28/67/210052867.db2.gz CTLUWIIBPASPAZ-UHFFFAOYSA-N 0 0 347.490 4.144 50 0 EIAARN CCOc1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1OC ZINC000003546998 210051674 /nfs/dbraw/zinc/05/16/74/210051674.db2.gz QLYDMOPTKUIJPP-NTEUORMPSA-N 0 0 329.783 4.240 50 0 EIAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003549450 210051346 /nfs/dbraw/zinc/05/13/46/210051346.db2.gz UZIVVOSRZNUPFC-UHFFFAOYSA-N 0 0 331.799 4.340 50 0 EIAARN CCC(CC)c1nnc(NC(=O)N2CCC[C@@H]2c2ccncc2)s1 ZINC000044935716 213677753 /nfs/dbraw/zinc/67/77/53/213677753.db2.gz VBCDUEKDGKOYGZ-CQSZACIVSA-N 0 0 345.472 4.206 50 0 EIAARN CCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)s1 ZINC000003544084 210050102 /nfs/dbraw/zinc/05/01/02/210050102.db2.gz VHADLVJROYFORK-JTQLQIEISA-N 0 0 339.511 4.078 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1Cl ZINC000003472386 210048740 /nfs/dbraw/zinc/04/87/40/210048740.db2.gz KWWSCGVBXZGXEU-JTQLQIEISA-N 0 0 340.206 4.408 50 0 EIAARN O=C(CSc1cccc(C(F)(F)F)c1)Nc1cccnc1Cl ZINC000003473810 210048691 /nfs/dbraw/zinc/04/86/91/210048691.db2.gz DJIOHOZUCNTOOY-UHFFFAOYSA-N 0 0 346.761 4.485 50 0 EIAARN CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000003446680 210042018 /nfs/dbraw/zinc/04/20/18/210042018.db2.gz QFXYPSRMEYDRBG-INIZCTEOSA-N 0 0 331.799 4.016 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000003446682 210041732 /nfs/dbraw/zinc/04/17/32/210041732.db2.gz QFXYPSRMEYDRBG-MRXNPFEDSA-N 0 0 331.799 4.016 50 0 EIAARN O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H](c2ccccc2)CC1 ZINC000066763383 215077086 /nfs/dbraw/zinc/07/70/86/215077086.db2.gz KUBQQBASUVUSBJ-KRWDZBQOSA-N 0 0 347.418 4.147 50 0 EIAARN Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000066762201 215077783 /nfs/dbraw/zinc/07/77/83/215077783.db2.gz HGLWTAIPTFLRGW-MRXNPFEDSA-N 0 0 346.858 4.365 50 0 EIAARN CCSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000003420809 210034847 /nfs/dbraw/zinc/03/48/47/210034847.db2.gz RJLFCCBMIRZZDV-UHFFFAOYSA-N 0 0 346.839 4.160 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000003419747 210034459 /nfs/dbraw/zinc/03/44/59/210034459.db2.gz SQFSEQVNCZMFRN-LLVKDONJSA-N 0 0 341.304 4.101 50 0 EIAARN O=c1c(Cl)c(NCc2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000003422169 210033694 /nfs/dbraw/zinc/03/36/94/210033694.db2.gz DNQZDGGNFZTOEA-UHFFFAOYSA-N 0 0 346.217 4.151 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F ZINC000003399195 210027765 /nfs/dbraw/zinc/02/77/65/210027765.db2.gz QXYCRYKGGQAMRK-UHFFFAOYSA-N 0 0 331.293 4.275 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003415286 210032829 /nfs/dbraw/zinc/03/28/29/210032829.db2.gz ZEZBVVOFRLCJGN-HNNXBMFYSA-N 0 0 339.313 4.381 50 0 EIAARN Cc1cnc(-c2cccc(NC(=O)N(C)Cc3cccs3)c2)o1 ZINC000066957875 215098501 /nfs/dbraw/zinc/09/85/01/215098501.db2.gz GFGGQBGPJQDUAR-UHFFFAOYSA-N 0 0 327.409 4.375 50 0 EIAARN C[C@H]1CCC[C@H](C)N1Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000003363031 210018634 /nfs/dbraw/zinc/01/86/34/210018634.db2.gz HXBUDUIVMJPDTD-UWVGGRQHSA-N 0 0 345.299 4.392 50 0 EIAARN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)c(OC)c1 ZINC000003359499 210017671 /nfs/dbraw/zinc/01/76/71/210017671.db2.gz DZWBEJCPXDIKGC-UHFFFAOYSA-N 0 0 345.826 4.418 50 0 EIAARN CSc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000003355363 210016032 /nfs/dbraw/zinc/01/60/32/210016032.db2.gz VBEASQFMGGXGGR-UHFFFAOYSA-N 0 0 348.899 4.441 50 0 EIAARN CN(Cn1nc2c(Cl)cc(Cl)cn2c1=S)C1CCCCC1 ZINC000003345333 210014126 /nfs/dbraw/zinc/01/41/26/210014126.db2.gz OWCUJMQBSJWONR-UHFFFAOYSA-N 0 0 345.299 4.394 50 0 EIAARN O=C(Cc1cccs1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000003325869 210008304 /nfs/dbraw/zinc/00/83/04/210008304.db2.gz AQFSOUKFBBYGGZ-UHFFFAOYSA-N 0 0 336.388 4.331 50 0 EIAARN COc1cc(OC)c(NC(=O)C2(c3ccccc3)CC2)cc1Cl ZINC000003328344 210007891 /nfs/dbraw/zinc/00/78/91/210007891.db2.gz JKWDAIMIKSIRKD-UHFFFAOYSA-N 0 0 331.799 4.028 50 0 EIAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2SC)cc1 ZINC000003336802 210011621 /nfs/dbraw/zinc/01/16/21/210011621.db2.gz CGSWSCOHXRDJCZ-UHFFFAOYSA-N 0 0 342.464 4.143 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CCC(=O)c1cccs1 ZINC000003303794 210001514 /nfs/dbraw/zinc/00/15/14/210001514.db2.gz QLWIUOWQVVKFDW-UHFFFAOYSA-N 0 0 337.828 4.320 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)COc1ncnc2sccc21 ZINC000003316646 210005446 /nfs/dbraw/zinc/00/54/46/210005446.db2.gz HXQVWOHHLILIAS-GFCCVEGCSA-N 0 0 341.436 4.222 50 0 EIAARN O=C(COC(=O)CCC1CCCC1)Nc1cc(Cl)ccc1Cl ZINC000003314736 210004665 /nfs/dbraw/zinc/00/46/65/210004665.db2.gz AOEIGDJZLIJQRO-UHFFFAOYSA-N 0 0 344.238 4.446 50 0 EIAARN CCc1ccc(C(=O)COC(=O)Cc2coc3cc(C)ccc23)cc1 ZINC000003288484 209998313 /nfs/dbraw/zinc/99/83/13/209998313.db2.gz XLLRNYIYRVJFRO-UHFFFAOYSA-N 0 0 336.387 4.272 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000067197902 215122796 /nfs/dbraw/zinc/12/27/96/215122796.db2.gz GCEUSUXSTMECCC-MRXNPFEDSA-N 0 0 339.435 4.153 50 0 EIAARN O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000067207134 215124337 /nfs/dbraw/zinc/12/43/37/215124337.db2.gz DUDKFPJYCHDSBZ-UHFFFAOYSA-N 0 0 326.415 4.387 50 0 EIAARN CCN(Cc1ccccc1)C(=O)CSc1nc2ccccc2s1 ZINC000003275594 209995582 /nfs/dbraw/zinc/99/55/82/209995582.db2.gz WSJVHMSKYCWPOW-UHFFFAOYSA-N 0 0 342.489 4.437 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)cc1 ZINC000067339742 215135209 /nfs/dbraw/zinc/13/52/09/215135209.db2.gz WXYJHCXDDHKORE-MDZDMXLPSA-N 0 0 334.375 4.352 50 0 EIAARN O=C(CCOc1ccccc1)OCc1csc(-c2ccccc2)n1 ZINC000003273445 209995314 /nfs/dbraw/zinc/99/53/14/209995314.db2.gz QJUALNTWELLXBY-UHFFFAOYSA-N 0 0 339.416 4.322 50 0 EIAARN Cc1cc(C)nc(SCCOc2ccc(Br)cc2)n1 ZINC000003246478 209987889 /nfs/dbraw/zinc/98/78/89/209987889.db2.gz CQZUMEDSFNCTCJ-UHFFFAOYSA-N 0 0 339.258 4.027 50 0 EIAARN O=C1CSC2=NC(c3ccc(Cl)cc3)=C[C@H](c3ccccc3)N12 ZINC000003210352 209977739 /nfs/dbraw/zinc/97/77/39/209977739.db2.gz SJSOCOIXCCYEKC-MRXNPFEDSA-N 0 0 340.835 4.367 50 0 EIAARN COc1cc(NC(=O)Nc2ccccc2Cl)cc(OC)c1OC ZINC000003166344 209972485 /nfs/dbraw/zinc/97/24/85/209972485.db2.gz WLHRVNBAHNQPJC-UHFFFAOYSA-N 0 0 336.775 4.010 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2cccc3cccnc32)C[C@@H](c2ccccc2)O1 ZINC000067559212 215162526 /nfs/dbraw/zinc/16/25/26/215162526.db2.gz AFFJXOHYKJOMIE-BEFAXECRSA-N 0 0 347.418 4.229 50 0 EIAARN Cc1cc(-c2c(-c3ccccc3)ncn2CCc2ccc(O)cc2)n[nH]1 ZINC000067641431 215172480 /nfs/dbraw/zinc/17/24/80/215172480.db2.gz HROFRLFELSBBFF-UHFFFAOYSA-N 0 0 344.418 4.197 50 0 EIAARN CCOC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067674945 215180295 /nfs/dbraw/zinc/18/02/95/215180295.db2.gz ACPCRYWQTRWBRH-UHFFFAOYSA-N 0 0 347.798 4.064 50 0 EIAARN CCC[C@H](C)c1c(-c2ccccc2)ncn1Cc1cc(COC)[nH]n1 ZINC000067713873 215192650 /nfs/dbraw/zinc/19/26/50/215192650.db2.gz OTDZHNAMFVWGNR-HNNXBMFYSA-N 0 0 338.455 4.372 50 0 EIAARN C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000067719324 215194970 /nfs/dbraw/zinc/19/49/70/215194970.db2.gz MYFMPNHOAZKRMQ-LLVKDONJSA-N 0 0 340.404 4.006 50 0 EIAARN c1c[nH]c(-c2c(-c3ccccc3)ncn2CCCCc2ccccn2)n1 ZINC000067771210 215207891 /nfs/dbraw/zinc/20/78/91/215207891.db2.gz HSXPTVDNEWGIBP-UHFFFAOYSA-N 0 0 343.434 4.358 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)CCn2c3ccccc3oc2=S)[C@@H]1C ZINC000002940159 209943031 /nfs/dbraw/zinc/94/30/31/209943031.db2.gz PMBRAFYKURLEHX-MGPQQGTHSA-N 0 0 332.469 4.295 50 0 biogenic EIAARN c1coc([C@H]2CCCN2Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067820741 215222222 /nfs/dbraw/zinc/22/22/22/215222222.db2.gz UDCMMVGNGXJYJB-LJQANCHMSA-N 0 0 344.418 4.326 50 0 EIAARN CCC(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067833376 215223105 /nfs/dbraw/zinc/22/31/05/215223105.db2.gz AUCVQEMKUUIXIA-UHFFFAOYSA-N 0 0 331.419 4.038 50 0 EIAARN Cc1oc(-c2ccccc2C)nc1Cn1ccnc1-c1ccccn1 ZINC000067833661 215224570 /nfs/dbraw/zinc/22/45/70/215224570.db2.gz BZUGQHQBEONWKA-UHFFFAOYSA-N 0 0 330.391 4.265 50 0 EIAARN CC[C@@H](c1ccccc1)N(C)C(=O)c1cc(COc2ccccc2)[nH]n1 ZINC000067804435 215216616 /nfs/dbraw/zinc/21/66/16/215216616.db2.gz PIFSDRRDTPITQG-FQEVSTJZSA-N 0 0 349.434 4.212 50 0 EIAARN CC(C)(C)C(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000002884288 209936748 /nfs/dbraw/zinc/93/67/48/209936748.db2.gz ZUUGYCQECXPRMW-UHFFFAOYSA-N 0 0 328.437 4.338 50 0 EIAARN CCCCOc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1 ZINC000002881254 209935300 /nfs/dbraw/zinc/93/53/00/209935300.db2.gz CTNRCQVVJUUAQY-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 ZINC000002879848 209935346 /nfs/dbraw/zinc/93/53/46/209935346.db2.gz HPNJVECNLJPBJK-GFCCVEGCSA-N 0 0 334.213 4.164 50 0 EIAARN CC(=O)c1ccc(F)cc1-c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000067846954 215228893 /nfs/dbraw/zinc/22/88/93/215228893.db2.gz OSWOLLHLKNIMKP-CQSZACIVSA-N 0 0 327.399 4.089 50 0 EIAARN Cc1ccc2nc(-c3nnc(-c4noc5c4C[C@H](C)CC5)o3)ccc2c1 ZINC000002803367 209917740 /nfs/dbraw/zinc/91/77/40/209917740.db2.gz AUIGDYHKVWDSDM-GFCCVEGCSA-N 0 0 346.390 4.373 50 0 EIAARN CC(C)(C)c1cnc(CSc2nnc(Cc3ccccc3F)o2)o1 ZINC000067954815 215258943 /nfs/dbraw/zinc/25/89/43/215258943.db2.gz GRRIYILEWBTEJM-UHFFFAOYSA-N 0 0 347.415 4.377 50 0 EIAARN Cc1ccc(C2=Nc3nnnn3[C@@H](c3cccc4ccccc43)C2)cc1 ZINC000103327055 219291850 /nfs/dbraw/zinc/29/18/50/219291850.db2.gz LAQLLSIKNPDQAE-HXUWFJFHSA-N 0 0 339.402 4.191 50 0 EIAARN Cc1ccc(C2(CNC(=O)CCC3CCCC3)CCOCC2)cc1 ZINC000068168956 215286859 /nfs/dbraw/zinc/28/68/59/215286859.db2.gz DNPQRRUGNHPFJS-UHFFFAOYSA-N 0 0 329.484 4.130 50 0 EIAARN CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1 ZINC000002768652 209906270 /nfs/dbraw/zinc/90/62/70/209906270.db2.gz WHKUIROSKGQCLP-NSHDSACASA-N 0 0 333.438 4.102 50 0 EIAARN Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccnn1C(C)C ZINC000068234932 215292547 /nfs/dbraw/zinc/29/25/47/215292547.db2.gz ATUWLTSRHVWCJJ-UHFFFAOYSA-N 0 0 326.425 4.148 50 0 EIAARN CCOc1ccc2c(c1)oc(C)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000002673971 209888974 /nfs/dbraw/zinc/88/89/74/209888974.db2.gz CKNIVDZRJBNYOA-UHFFFAOYSA-N 0 0 340.375 4.184 50 0 biogenic EIAARN CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000002657979 209886782 /nfs/dbraw/zinc/88/67/82/209886782.db2.gz SLIJEURHBVBMNI-QFIPXVFZSA-N 0 0 344.414 4.197 50 0 EIAARN Cc1csc(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000002648669 209883680 /nfs/dbraw/zinc/88/36/80/209883680.db2.gz NUSREWOQUNDSJD-MRVPVSSYSA-N 0 0 330.837 4.363 50 0 EIAARN O=C(CCCc1nc2ccccc2s1)N1CCc2ccccc2C1 ZINC000002642756 209881138 /nfs/dbraw/zinc/88/11/38/209881138.db2.gz JDBZHWZRKPCJEK-UHFFFAOYSA-N 0 0 336.460 4.204 50 0 EIAARN Cc1cccc(-n2cc(CO)c(-c3ccc(Br)cc3)n2)c1 ZINC000002544757 209866133 /nfs/dbraw/zinc/86/61/33/209866133.db2.gz UNUUXYYSQRAZOY-UHFFFAOYSA-N 0 0 343.224 4.103 50 0 EIAARN Cc1c(Cl)ccc(S(=O)(=O)N(C)C2CCCCC2)c1Cl ZINC000041095618 213416120 /nfs/dbraw/zinc/41/61/20/213416120.db2.gz LSAWABYHZSSMOC-UHFFFAOYSA-N 0 0 336.284 4.255 50 0 EIAARN O=C(NCCOc1ccc(F)cc1)c1ccccc1-c1ccccc1 ZINC000002352444 209843015 /nfs/dbraw/zinc/84/30/15/209843015.db2.gz JNJOCOMEEKPNEB-UHFFFAOYSA-N 0 0 335.378 4.302 50 0 EIAARN O=Cc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@@H]3CCC1 ZINC000068675231 215326980 /nfs/dbraw/zinc/32/69/80/215326980.db2.gz CJKDEKOSYBTXAM-OAQYLSRUSA-N 0 0 330.431 4.347 50 0 EIAARN Cc1nc2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2s1 ZINC000002203100 209830442 /nfs/dbraw/zinc/83/04/42/209830442.db2.gz NSVCQOCMCIURFM-UHFFFAOYSA-N 0 0 342.445 4.105 50 0 EIAARN Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc2c(C)cc(C)nc2n1 ZINC000040818252 213390410 /nfs/dbraw/zinc/39/04/10/213390410.db2.gz GARPASOAQVSBLK-UHFFFAOYSA-N 0 0 344.418 4.218 50 0 EIAARN Cc1nc2ccc(NC(=O)c3cc4sccc4n3C)cc2s1 ZINC000040786180 213387404 /nfs/dbraw/zinc/38/74/04/213387404.db2.gz IAJVWAJRGRTALB-UHFFFAOYSA-N 0 0 327.434 4.410 50 0 EIAARN CCc1ccc2c(CSC[C@H](O)c3ccccc3)cc(=O)oc2c1 ZINC000069309934 215376436 /nfs/dbraw/zinc/37/64/36/215376436.db2.gz CLJMXMHHASGVLN-SFHVURJKSA-N 0 0 340.444 4.322 50 0 EIAARN Cc1ccc(C)c(NC(=O)COC(=O)c2cccc3ccccc32)c1 ZINC000001943785 209808254 /nfs/dbraw/zinc/80/82/54/209808254.db2.gz BGKICZUPDPKQOT-UHFFFAOYSA-N 0 0 333.387 4.252 50 0 EIAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)CC4CC4)cc3)o2)c1 ZINC000040555161 213349836 /nfs/dbraw/zinc/34/98/36/213349836.db2.gz LCBFVSVVJXIRRV-UHFFFAOYSA-N 0 0 347.418 4.194 50 0 EIAARN O=C(NCc1cc(-c2ccccc2)on1)Nc1cccc2cccnc21 ZINC000069351750 215386323 /nfs/dbraw/zinc/38/63/23/215386323.db2.gz ULPAWIAMWSOPNV-UHFFFAOYSA-N 0 0 344.374 4.212 50 0 EIAARN Cc1csc(-c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)n1 ZINC000069351678 215386974 /nfs/dbraw/zinc/38/69/74/215386974.db2.gz OUIRCPRUIFPUTC-UHFFFAOYSA-N 0 0 349.459 4.318 50 0 EIAARN CSc1nccn1-c1cccc(C(=O)N(C)C2CCCCCC2)c1 ZINC000069351537 215387196 /nfs/dbraw/zinc/38/71/96/215387196.db2.gz WVRPXXZBIYVOEX-UHFFFAOYSA-N 0 0 343.496 4.389 50 0 EIAARN CCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000001906253 209804276 /nfs/dbraw/zinc/80/42/76/209804276.db2.gz MVHJYAJSVUOJKK-MRXNPFEDSA-N 0 0 333.435 4.357 50 0 EIAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)CC)cc3n2)cc1 ZINC000001858424 209800343 /nfs/dbraw/zinc/80/03/43/209800343.db2.gz APGGTLLOXGPNNB-UHFFFAOYSA-N 0 0 336.439 4.420 50 0 EIAARN COCc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000040553163 213347297 /nfs/dbraw/zinc/34/72/97/213347297.db2.gz SBWFAYBWEFSGOT-UHFFFAOYSA-N 0 0 347.418 4.148 50 0 EIAARN O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1)N(Cc1ccccn1)C1CC1 ZINC000069385286 215396631 /nfs/dbraw/zinc/39/66/31/215396631.db2.gz OZXYACYRGHBROK-MSOLQXFVSA-N 0 0 326.827 4.030 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000040526309 213336113 /nfs/dbraw/zinc/33/61/13/213336113.db2.gz BFHZMVBUDINNHI-VIFPVBQESA-N 0 0 336.741 4.155 50 0 EIAARN Cc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000040526947 213335907 /nfs/dbraw/zinc/33/59/07/213335907.db2.gz DFRGXNBHQGEHGL-UHFFFAOYSA-N 0 0 337.423 4.007 50 0 EIAARN CC(C)(C)c1noc(CCCC(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000040516128 213331745 /nfs/dbraw/zinc/33/17/45/213331745.db2.gz LVUAHGIIUQFKDF-CYBMUJFWSA-N 0 0 347.484 4.115 50 0 EIAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccccc1)c1ccncc1 ZINC000001788377 209793874 /nfs/dbraw/zinc/79/38/74/209793874.db2.gz OXCNWEKLHLONGF-UHFFFAOYSA-N 0 0 343.338 4.074 50 0 EIAARN CCc1cccc(C)c1NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000040466455 213309204 /nfs/dbraw/zinc/30/92/04/213309204.db2.gz XJVXDBXEPSNGSO-UHFFFAOYSA-N 0 0 327.472 4.208 50 0 EIAARN O=C(Nc1ccc2[nH]ccc2c1)c1ccc(F)cc1Br ZINC000040438760 213303680 /nfs/dbraw/zinc/30/36/80/213303680.db2.gz IRRXURZAWFUCRE-UHFFFAOYSA-N 0 0 333.160 4.322 50 0 EIAARN O=C1C[C@@H](c2ccsc2)c2ncn(-c3cc(F)ccc3F)c2N1 ZINC000040284862 213287832 /nfs/dbraw/zinc/28/78/32/213287832.db2.gz MRTGEBGYSNZANF-NSHDSACASA-N 0 0 331.347 4.336 50 0 EIAARN O=C1C[C@@H](c2cccc(F)c2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040267158 213285540 /nfs/dbraw/zinc/28/55/40/213285540.db2.gz ZBTCGUSJPOFGHX-HNNXBMFYSA-N 0 0 325.318 4.274 50 0 EIAARN O=C1Cc2c3cc(Br)ccc3[nH]c2-c2ccccc2N1 ZINC000001639355 209772509 /nfs/dbraw/zinc/77/25/09/209772509.db2.gz QQUXFYAWXPMDOE-UHFFFAOYSA-N 0 0 327.181 4.092 50 0 aggregator,biogenic,in-vivo EIAARN Cc1ccoc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000040157391 213275979 /nfs/dbraw/zinc/27/59/79/213275979.db2.gz PZXRFGXWXXOFJD-SFHVURJKSA-N 0 0 345.402 4.178 50 0 EIAARN CCC(CC)N(Cn1nc(-c2ccccc2OC)oc1=S)C1CC1 ZINC000040151387 213272951 /nfs/dbraw/zinc/27/29/51/213272951.db2.gz OXFDORBDLUQIBN-UHFFFAOYSA-N 0 0 347.484 4.492 50 0 EIAARN CCC[C@@H](C(=O)Nc1nnc(-c2ccccn2)s1)c1ccccc1 ZINC000040145854 213272279 /nfs/dbraw/zinc/27/22/79/213272279.db2.gz VKBCIECCUBOFQB-CQSZACIVSA-N 0 0 338.436 4.123 50 0 EIAARN O=c1ccc(-c2ccccc2)nn1CCCOc1ccc(Cl)cc1 ZINC000040155624 213275039 /nfs/dbraw/zinc/27/50/39/213275039.db2.gz LLDICKRMLNPGBB-UHFFFAOYSA-N 0 0 340.810 4.033 50 0 EIAARN CC(C)Sc1ncccc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000040153823 213275059 /nfs/dbraw/zinc/27/50/59/213275059.db2.gz QJEDVAGTTCAENR-UHFFFAOYSA-N 0 0 338.436 4.225 50 0 EIAARN Cc1nc2ccccc2n1[C@@H](C(=O)NCc1ccccc1C)C(C)C ZINC000040152598 213274819 /nfs/dbraw/zinc/27/48/19/213274819.db2.gz CGCFSAOMDSSNES-HXUWFJFHSA-N 0 0 335.451 4.167 50 0 EIAARN Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccncc2)ccc1C(C)C ZINC000040141036 213272191 /nfs/dbraw/zinc/27/21/91/213272191.db2.gz VMEPJMSFBRYCRM-HOTGVXAUSA-N 0 0 326.440 4.158 50 0 EIAARN COC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cc(C)sc2C)cc1 ZINC000040145805 213272193 /nfs/dbraw/zinc/27/21/93/213272193.db2.gz UFZGRLFCQREWNS-NSHDSACASA-N 0 0 347.440 4.426 50 0 EIAARN O=C(COCc1ccccc1Cl)Nc1nc2ccccc2s1 ZINC000040140164 213271344 /nfs/dbraw/zinc/27/13/44/213271344.db2.gz KADJQNJEYNKJPU-UHFFFAOYSA-N 0 0 332.812 4.105 50 0 EIAARN CCc1nc(NC(=O)c2ccc(Br)cc2F)sc1C ZINC000040118927 213268030 /nfs/dbraw/zinc/26/80/30/213268030.db2.gz SEBBAWUTJMGZOD-UHFFFAOYSA-N 0 0 343.221 4.168 50 0 EIAARN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCCC1 ZINC000040110742 213267497 /nfs/dbraw/zinc/26/74/97/213267497.db2.gz FGYMGXXVOWEQDP-UHFFFAOYSA-N 0 0 332.419 4.473 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000040107070 213265680 /nfs/dbraw/zinc/26/56/80/213265680.db2.gz TWDYIEUTINPWHZ-UHFFFAOYSA-N 0 0 338.338 4.274 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)Nc1cc(F)cc(F)c1 ZINC000040104316 213264833 /nfs/dbraw/zinc/26/48/33/213264833.db2.gz WNMSKJZKHBMOEK-UHFFFAOYSA-N 0 0 328.721 4.421 50 0 EIAARN CCOc1ccc(OCC)c(NC(=O)N(C)Cc2ccccc2)c1 ZINC000040103923 213264631 /nfs/dbraw/zinc/26/46/31/213264631.db2.gz YBXXWQJVFSAGDL-UHFFFAOYSA-N 0 0 328.412 4.148 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000040103642 213264564 /nfs/dbraw/zinc/26/45/64/213264564.db2.gz GACVPMNHIRNLIV-QWRGUYRKSA-N 0 0 325.250 4.267 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040096169 213263818 /nfs/dbraw/zinc/26/38/18/213263818.db2.gz IRWAYAJXUDSTFC-SECBINFHSA-N 0 0 336.741 4.155 50 0 EIAARN CN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 ZINC000040095889 213263555 /nfs/dbraw/zinc/26/35/55/213263555.db2.gz NTSLVVIIPBBFGG-UHFFFAOYSA-N 0 0 337.192 4.252 50 0 EIAARN CSc1ccc(CN(C)Cc2noc(-c3cccc(C)c3)n2)cc1 ZINC000040088715 213261298 /nfs/dbraw/zinc/26/12/98/213261298.db2.gz SHQZYRNEEOVBAY-UHFFFAOYSA-N 0 0 339.464 4.399 50 0 EIAARN CNc1snc(C)c1C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000040081703 213259554 /nfs/dbraw/zinc/25/95/54/213259554.db2.gz LPGAXHIKSROXOO-UHFFFAOYSA-N 0 0 330.413 4.010 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3nc(C4CC4)cs3)on2)cc1 ZINC000040088312 213261687 /nfs/dbraw/zinc/26/16/87/213261687.db2.gz KDOMJEQJTVFBIT-UHFFFAOYSA-N 0 0 325.393 4.236 50 0 EIAARN Cc1ccsc1CN(C)C(=O)c1cc(C)nc2cc(F)ccc21 ZINC000040073758 213258005 /nfs/dbraw/zinc/25/80/05/213258005.db2.gz BRHCJVJCJZNCBK-UHFFFAOYSA-N 0 0 328.412 4.324 50 0 EIAARN O=C(Cc1cccc2cccnc21)Nc1cccc(C(F)(F)F)c1 ZINC000040025765 213252983 /nfs/dbraw/zinc/25/29/83/213252983.db2.gz HZSSKAKUXOBZOL-UHFFFAOYSA-N 0 0 330.309 4.435 50 0 EIAARN Cc1ccc(-c2nnc([C@H](C)N3CCc4sccc4C3)o2)cc1 ZINC000040033634 213252705 /nfs/dbraw/zinc/25/27/05/213252705.db2.gz VDRGANBPRQBUGI-ZDUSSCGKSA-N 0 0 325.437 4.226 50 0 EIAARN O=C(NCCCOC1CCCCC1)Nc1cc(Cl)ccc1F ZINC000040024028 213251166 /nfs/dbraw/zinc/25/11/66/213251166.db2.gz OGXDVDVPAQNRFT-UHFFFAOYSA-N 0 0 328.815 4.340 50 0 EIAARN O=C(CNc1ccc(OC(F)(F)F)cc1)NCCC1=CCCCC1 ZINC000040007904 213250250 /nfs/dbraw/zinc/25/02/50/213250250.db2.gz PJUYZXAJGBNERA-UHFFFAOYSA-N 0 0 342.361 4.004 50 0 EIAARN CSc1ccc(Cl)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000039975682 213247983 /nfs/dbraw/zinc/24/79/83/213247983.db2.gz CKDZPWFURBHNIT-VIFPVBQESA-N 0 0 337.794 4.476 50 0 EIAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCC2CCCC2)c1 ZINC000040007744 213250521 /nfs/dbraw/zinc/25/05/21/213250521.db2.gz IYIPECXNGOGYTM-SFHVURJKSA-N 0 0 331.456 4.338 50 0 EIAARN c1ccc(COCCOc2ncccc2OCc2ccccc2)cc1 ZINC000039961281 213246265 /nfs/dbraw/zinc/24/62/65/213246265.db2.gz PQHDJULJWZNDND-UHFFFAOYSA-N 0 0 335.403 4.256 50 0 EIAARN COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@@]2(C)C1=CC[C@H]2OC(C)=O ZINC000001405905 209742460 /nfs/dbraw/zinc/74/24/60/209742460.db2.gz LRTUTQVESNZNCY-RHZWSATBSA-N 0 0 340.419 4.292 50 0 EIAARN Fc1cccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1 ZINC000001018231 209701322 /nfs/dbraw/zinc/70/13/22/209701322.db2.gz BXLPDHVMMRZSRY-UHFFFAOYSA-N 0 0 344.802 4.236 50 0 EIAARN CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1 ZINC000000818325 209691696 /nfs/dbraw/zinc/69/16/96/209691696.db2.gz ADJGNSYBQAYCEK-UHFFFAOYSA-N 0 0 340.448 4.461 50 0 EIAARN COc1ccc([C@H]2CCN(C(=O)c3ccccc3C(F)(F)F)C2)cc1 ZINC000038566623 213215267 /nfs/dbraw/zinc/21/52/67/213215267.db2.gz NNCBKPMLIRHXJS-AWEZNQCLSA-N 0 0 349.352 4.344 50 0 EIAARN COC(=O)c1ccccc1NC(=O)c1oc2ccc(Cl)cc2c1C ZINC000000615655 209679822 /nfs/dbraw/zinc/67/98/22/209679822.db2.gz SHWRTOACRSSKQH-UHFFFAOYSA-N 0 0 343.766 4.434 50 0 EIAARN COc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000000609571 209673235 /nfs/dbraw/zinc/67/32/35/209673235.db2.gz VTUIJFUWKGDZJP-UHFFFAOYSA-N 0 0 340.807 4.305 50 0 EIAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1csc(-c2ccccc2)n1 ZINC000038490052 213211232 /nfs/dbraw/zinc/21/12/32/213211232.db2.gz FMXUKFAWBMKQSQ-UHFFFAOYSA-N 0 0 346.415 4.453 50 0 EIAARN Cc1cccc(C2([NH2+]CCOc3ccccc3C(=O)[O-])CCCC2)c1 ZINC000183931145 235264088 /nfs/dbraw/zinc/26/40/88/235264088.db2.gz GWFJDZKJUKOSAL-UHFFFAOYSA-N 0 0 339.435 4.131 50 0 EIAARN Cc1c(CO)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000000561097 209664883 /nfs/dbraw/zinc/66/48/83/209664883.db2.gz TYOOQLRVVFFUAT-UHFFFAOYSA-N 0 0 330.225 4.253 50 0 EIAARN O=C1N2CCCN2[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000000549496 209660821 /nfs/dbraw/zinc/66/08/21/209660821.db2.gz DYWQEOAXCCIWMM-INIZCTEOSA-N 0 0 331.778 4.041 50 0 EIAARN COC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3Cl)cc21 ZINC000000551695 209660303 /nfs/dbraw/zinc/66/03/03/209660303.db2.gz WNDCUJXEKFPJIG-UHFFFAOYSA-N 0 0 344.750 4.400 50 0 EIAARN Clc1ccc(-c2nnc3sc(COc4ccccc4)nn32)cc1 ZINC000000531513 209651148 /nfs/dbraw/zinc/65/11/48/209651148.db2.gz PHEKOOLTSWRPLB-UHFFFAOYSA-N 0 0 342.811 4.085 50 0 EIAARN Cc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 ZINC000000530192 209649497 /nfs/dbraw/zinc/64/94/97/209649497.db2.gz AUDSDOLQSKUKIV-UHFFFAOYSA-N 0 0 340.839 4.265 50 0 EIAARN O=C(NCCc1ccc(O)cc1)Nc1cc(Cl)ccc1Cl ZINC000038031940 213193727 /nfs/dbraw/zinc/19/37/27/213193727.db2.gz GWMXVWCLCMNBBT-UHFFFAOYSA-N 0 0 325.195 4.063 50 0 EIAARN Cc1ccc(C)c(C(=O)N[C@@H](C)c2nc(-c3cccnc3)cs2)c1 ZINC000069779360 215580936 /nfs/dbraw/zinc/58/09/36/215580936.db2.gz IAMAVMUNKJHCKV-AWEZNQCLSA-N 0 0 337.448 4.313 50 0 EIAARN Cc1cc(SCC(=O)Nc2cccnc2Cl)nc2ccccc12 ZINC000037868470 213171699 /nfs/dbraw/zinc/17/16/99/213171699.db2.gz IUZYRUMKEQCNIK-UHFFFAOYSA-N 0 0 343.839 4.322 50 0 EIAARN O=C(Nc1nccs1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000037868933 213171513 /nfs/dbraw/zinc/17/15/13/213171513.db2.gz IGDPWVZLHXFMNY-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN CCNC(=O)c1cc2sc(C)cc2n1Cc1ccc(F)c(F)c1 ZINC000037527016 213154367 /nfs/dbraw/zinc/15/43/67/213154367.db2.gz LSWVGDWRSWRZCW-UHFFFAOYSA-N 0 0 334.391 4.087 50 0 EIAARN O=C(NCc1ccncc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000484119 209629771 /nfs/dbraw/zinc/62/97/71/209629771.db2.gz ZSUZRAOVNRYTNE-IBGZPJMESA-N 0 0 334.444 4.231 50 0 EIAARN COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000000484839 209630824 /nfs/dbraw/zinc/63/08/24/209630824.db2.gz RCWBQMVHILNBKW-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000478671 209627381 /nfs/dbraw/zinc/62/73/81/209627381.db2.gz XNIKERCOGUHJHG-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN COc1cc(NC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1 ZINC000000471748 209621764 /nfs/dbraw/zinc/62/17/64/209621764.db2.gz IEDJAWDNQGAILD-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(Cl)nc2)cc1 ZINC000036775060 213118969 /nfs/dbraw/zinc/11/89/69/213118969.db2.gz NADYKHAPKBGUBC-UHFFFAOYSA-N 0 0 326.783 4.483 50 0 EIAARN COc1ccc(CN(C(=O)c2cc(C)nc3ccccc32)C2CC2)cc1 ZINC000036783973 213118651 /nfs/dbraw/zinc/11/86/51/213118651.db2.gz WWBJHVIVTIPHHZ-UHFFFAOYSA-N 0 0 346.430 4.357 50 0 EIAARN Cc1ccc(C)c(C(=O)COC(=O)c2cccc(Br)c2)c1 ZINC000000454429 209610615 /nfs/dbraw/zinc/61/06/15/209610615.db2.gz RGGQWBPNGYDPSO-UHFFFAOYSA-N 0 0 347.208 4.106 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)cc1 ZINC000036621132 213105192 /nfs/dbraw/zinc/10/51/92/213105192.db2.gz MZYUMWIGCPIPCC-SFHVURJKSA-N 0 0 329.827 4.255 50 0 EIAARN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000036621072 213104714 /nfs/dbraw/zinc/10/47/14/213104714.db2.gz RADPZDRKPSJNCB-MRXNPFEDSA-N 0 0 339.819 4.005 50 0 EIAARN Cc1ccc(C(=O)N2CCc3c4ccccc4n4c3[C@H]2CCC4=O)cc1 ZINC000036559117 213099558 /nfs/dbraw/zinc/09/95/58/213099558.db2.gz AUUBUKSCUDJRBW-LJQANCHMSA-N 0 0 344.414 4.123 50 0 biogenic EIAARN Cc1oc(-c2ccccc2)nc1CSCC(=O)NC1CCCCC1 ZINC000036392562 213096192 /nfs/dbraw/zinc/09/61/92/213096192.db2.gz RYRAUZPYHIHYFT-UHFFFAOYSA-N 0 0 344.480 4.332 50 0 EIAARN CCOc1ncccc1CNC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000036393133 213095480 /nfs/dbraw/zinc/09/54/80/213095480.db2.gz SZFJJAVJTUWQAZ-UHFFFAOYSA-N 0 0 349.434 4.082 50 0 EIAARN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccccc1Cl ZINC000036391184 213094974 /nfs/dbraw/zinc/09/49/74/213094974.db2.gz NGRSYEUMTHENFR-UHFFFAOYSA-N 0 0 331.696 4.428 50 0 EIAARN CCO[P@](C)(=O)[C@@H](C(N)=O)c1csc2ccc(Cl)cc21 ZINC000036377911 213092092 /nfs/dbraw/zinc/09/20/92/213092092.db2.gz VGOZVZRZLDCLIO-BLVKFPJESA-N 0 0 331.761 4.026 50 0 EIAARN CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N ZINC000036360615 213090679 /nfs/dbraw/zinc/09/06/79/213090679.db2.gz QWEYIGIREOLWSZ-UHFFFAOYSA-N 0 0 337.326 4.162 50 0 EIAARN O=c1ccc2cc3c(cc2o1)occ3-c1ccc2c(c1)OCCCO2 ZINC000036370032 213092277 /nfs/dbraw/zinc/09/22/77/213092277.db2.gz ZNNMJOAWDAQPGR-UHFFFAOYSA-N 0 0 334.327 4.368 50 0 biogenic EIAARN Clc1cccc(-c2nn3c(nnc3-c3cccnc3)s2)c1Cl ZINC000036358424 213088470 /nfs/dbraw/zinc/08/84/70/213088470.db2.gz OJILLYBWEYGYDM-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN CSc1cccc(NC(=O)c2snnc2-c2ccccc2)c1 ZINC000036354074 213087407 /nfs/dbraw/zinc/08/74/07/213087407.db2.gz PUJCKASSPQZISB-UHFFFAOYSA-N 0 0 327.434 4.179 50 0 EIAARN CCCCn1nc(C)c(/C=C/C(=O)NCc2cccs2)c1Cl ZINC000036333609 213083736 /nfs/dbraw/zinc/08/37/36/213083736.db2.gz NNDLBFODLBHTRD-BQYQJAHWSA-N 0 0 337.876 4.036 50 0 EIAARN O=C(c1ccccc1F)N1CCC[C@@H](OCc2cccc(Cl)c2)C1 ZINC000036314849 213083290 /nfs/dbraw/zinc/08/32/90/213083290.db2.gz QJLUXFSTEKDMEC-MRXNPFEDSA-N 0 0 347.817 4.301 50 0 EIAARN CCC(=O)N(Cc1csc(COc2ccccc2C)n1)C(C)C ZINC000036114808 213069967 /nfs/dbraw/zinc/06/99/67/213069967.db2.gz LFSMTBQVTDMHDT-UHFFFAOYSA-N 0 0 332.469 4.178 50 0 EIAARN CCC(=O)N(Cc1csc(COc2ccccc2C)n1)CC(C)C ZINC000036114792 213069893 /nfs/dbraw/zinc/06/98/93/213069893.db2.gz DQOFRMKHMXTWQE-UHFFFAOYSA-N 0 0 346.496 4.425 50 0 EIAARN Cc1cccc(OCc2nc(CN(C(=O)C(C)C)C(C)C)cs2)c1 ZINC000036106394 213069599 /nfs/dbraw/zinc/06/95/99/213069599.db2.gz PGBNHNOVCGTXBX-UHFFFAOYSA-N 0 0 346.496 4.424 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000000442646 209602458 /nfs/dbraw/zinc/60/24/58/209602458.db2.gz NIHIBTBTLZEANX-OAHLLOKOSA-N 0 0 334.213 4.245 50 0 EIAARN CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(C)=O ZINC000036105281 213068246 /nfs/dbraw/zinc/06/82/46/213068246.db2.gz CZLLQSGRYJGSMS-OAHLLOKOSA-N 0 0 346.496 4.486 50 0 EIAARN Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000000442150 209601818 /nfs/dbraw/zinc/60/18/18/209601818.db2.gz LXHNYTJTHNDBIA-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CCCN(Cc1cc(-c2cccc(OC)c2)on1)C(=O)CC(C)C ZINC000036012323 213055660 /nfs/dbraw/zinc/05/56/60/213055660.db2.gz NQVGPLWHQAIKGK-UHFFFAOYSA-N 0 0 330.428 4.135 50 0 EIAARN Cc1cccc([C@H]2c3cccn3CCN2C(=O)c2cccc(F)c2)c1 ZINC000035818710 213050746 /nfs/dbraw/zinc/05/07/46/213050746.db2.gz UEZRZMNJQRUJIK-FQEVSTJZSA-N 0 0 334.394 4.181 50 0 EIAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000035818456 213050490 /nfs/dbraw/zinc/05/04/90/213050490.db2.gz JVIMIHXIUFUNIG-FQEVSTJZSA-N 0 0 334.394 4.181 50 0 EIAARN Cc1ccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c(C)c1 ZINC000035622498 213043218 /nfs/dbraw/zinc/04/32/18/213043218.db2.gz KDGIJNDLQFJJHF-UHFFFAOYSA-N 0 0 335.455 4.243 50 0 EIAARN COc1ccccc1Nc1c(-c2ccccc2O)nc2ccccn21 ZINC000035615977 213042817 /nfs/dbraw/zinc/04/28/17/213042817.db2.gz VXGVAIKZEZJPLW-UHFFFAOYSA-N 0 0 331.375 4.459 50 0 EIAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(F)cc1 ZINC000035554983 213037845 /nfs/dbraw/zinc/03/78/45/213037845.db2.gz KDLLUQHZFBCGCX-UHFFFAOYSA-N 0 0 343.383 4.375 50 0 EIAARN Cc1onc(-c2ccccc2F)c1C(=O)NCc1cccc(Cl)c1 ZINC000035536118 213036749 /nfs/dbraw/zinc/03/67/49/213036749.db2.gz JICSKVQHGRYFGU-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3cccnc3)cc12 ZINC000035509868 213035348 /nfs/dbraw/zinc/03/53/48/213035348.db2.gz BGKRCRDAYWYMRC-UHFFFAOYSA-N 0 0 335.388 4.010 50 0 EIAARN CC[C@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000071186282 215741235 /nfs/dbraw/zinc/74/12/35/215741235.db2.gz QCFAAOIKUAOOKA-GXTWGEPZSA-N 0 0 347.846 4.142 50 0 EIAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)Nc1cccc(F)c1 ZINC000035536197 213036400 /nfs/dbraw/zinc/03/64/00/213036400.db2.gz PBGKIYRRCFHMIO-UHFFFAOYSA-N 0 0 332.281 4.320 50 0 EIAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC)no2)cc1 ZINC000035453460 213028788 /nfs/dbraw/zinc/02/87/88/213028788.db2.gz HUUHCRCSHIYLHR-UHFFFAOYSA-N 0 0 334.379 4.172 50 0 EIAARN CC[C@@H](C)NC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000035429672 213027781 /nfs/dbraw/zinc/02/77/81/213027781.db2.gz OWSNKROJOFCLSA-CQSZACIVSA-N 0 0 334.423 4.210 50 0 EIAARN CCCn1cnc2cc(-c3noc(COc4cccc(C)c4)n3)ccc21 ZINC000035453650 213029206 /nfs/dbraw/zinc/02/92/06/213029206.db2.gz NNVULDZZYCLWJL-UHFFFAOYSA-N 0 0 348.406 4.384 50 0 EIAARN Cc1nn(C(=O)Nc2cccc(Br)c2)c2ccccc12 ZINC000035422250 213027299 /nfs/dbraw/zinc/02/72/99/213027299.db2.gz PDVQEMZLYZVQIL-UHFFFAOYSA-N 0 0 330.185 4.187 50 0 EIAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1cc(Cl)cc2c1OCOC2 ZINC000071279946 215750666 /nfs/dbraw/zinc/75/06/66/215750666.db2.gz GBFCQCLCAVYKCC-GFCCVEGCSA-N 0 0 347.802 4.108 50 0 EIAARN CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(C)(C)C)c(Cl)n1 ZINC000035270494 213017123 /nfs/dbraw/zinc/01/71/23/213017123.db2.gz GMQIMSAHJLTCOX-UHFFFAOYSA-N 0 0 327.812 4.067 50 0 EIAARN CCCCOc1ccc(C(=O)N(Cc2cccn2C)C2CC2)cc1 ZINC000035277420 213016739 /nfs/dbraw/zinc/01/67/39/213016739.db2.gz ZYDUYLWLRIRJHF-UHFFFAOYSA-N 0 0 326.440 4.009 50 0 EIAARN COc1cc2nc(=S)[nH]c(Nc3cccc(C)c3)c2cc1OC ZINC000000429304 209595446 /nfs/dbraw/zinc/59/54/46/209595446.db2.gz CYQSHKXJFDVROA-UHFFFAOYSA-N 0 0 327.409 4.362 50 0 EIAARN Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1 ZINC000034997445 213003024 /nfs/dbraw/zinc/00/30/24/213003024.db2.gz WTKBRPXPNAKVEQ-UHFFFAOYSA-N 0 0 339.439 4.105 50 0 in-vitro EIAARN CCOc1ccc(NC(=O)N2CCc3c(c4ccccc4n3C)C2)cc1 ZINC000034928385 213001430 /nfs/dbraw/zinc/00/14/30/213001430.db2.gz BDALORITCMFPIU-UHFFFAOYSA-N 0 0 349.434 4.167 50 0 EIAARN Cc1[nH]c2ccc(CNc3ncccc3C(=O)N3CCCC3)cc2c1C ZINC000071749405 215806374 /nfs/dbraw/zinc/80/63/74/215806374.db2.gz VNBFXWCRNCHQQO-UHFFFAOYSA-N 0 0 348.450 4.028 50 0 EIAARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccs1 ZINC000000428075 209592809 /nfs/dbraw/zinc/59/28/09/209592809.db2.gz IQMKXEUWBPTINE-BLLLJJGKSA-N 0 0 332.446 4.129 50 0 EIAARN Cc1nc2ccccc2n1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000426685 209589625 /nfs/dbraw/zinc/58/96/25/209589625.db2.gz BMDVTUWUNUBQKA-UHFFFAOYSA-N 0 0 344.296 4.403 50 0 EIAARN O=C(/C=C\c1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC000033317240 212923948 /nfs/dbraw/zinc/92/39/48/212923948.db2.gz BJLLNDQZYFGMEZ-YFHOEESVSA-N 0 0 342.236 4.047 50 0 EIAARN O=C(/C=C\c1ccc(Br)cc1)Nc1ccc(F)cc1F ZINC000033310984 212920744 /nfs/dbraw/zinc/92/07/44/212920744.db2.gz HYTAKGLLUUXCQW-BAQGIRSFSA-N 0 0 338.151 4.379 50 0 EIAARN O=C(/C=C\c1ccco1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000033299888 212919318 /nfs/dbraw/zinc/91/93/18/212919318.db2.gz ZIDDZXOSYBRMFK-KTKRTIGZSA-N 0 0 331.331 4.135 50 0 EIAARN O=C(Nc1ccccc1F)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257686 212911615 /nfs/dbraw/zinc/91/16/15/212911615.db2.gz LKZAOGFSOXOOMM-UHFFFAOYSA-N 0 0 337.354 4.396 50 0 EIAARN CCCNC(=O)c1ccc(Oc2ncc(-c3ccccc3C)cn2)cc1 ZINC000033139227 212902142 /nfs/dbraw/zinc/90/21/42/212902142.db2.gz RVBZBVGYLVEBDW-UHFFFAOYSA-N 0 0 347.418 4.384 50 0 EIAARN CSc1cccc(NC(=O)CN2C[C@@H](C)Sc3ccccc32)c1 ZINC000033059227 212893757 /nfs/dbraw/zinc/89/37/57/212893757.db2.gz QOPYCJDVIXJIEV-CYBMUJFWSA-N 0 0 344.505 4.348 50 0 EIAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCCCC1 ZINC000033059959 212893770 /nfs/dbraw/zinc/89/37/70/212893770.db2.gz RUAQOQHCVHKPSQ-UHFFFAOYSA-N 0 0 339.464 4.330 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)no1 ZINC000032996296 212886580 /nfs/dbraw/zinc/88/65/80/212886580.db2.gz BDQLJERABNLNDR-UHFFFAOYSA-N 0 0 328.759 4.342 50 0 EIAARN O=C(CC1CCCCC1)NCc1ccc(OCc2cccnc2)cc1 ZINC000032930344 212875753 /nfs/dbraw/zinc/87/57/53/212875753.db2.gz HGSIRMBWLHKZFZ-UHFFFAOYSA-N 0 0 338.451 4.247 50 0 EIAARN CN(C(=O)CSc1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000032905656 212866215 /nfs/dbraw/zinc/86/62/15/212866215.db2.gz AKLDLFBDHWLTPS-QGZVFWFLSA-N 0 0 333.403 4.203 50 0 EIAARN CN(C(=O)c1ccc(Br)cc1F)[C@@H]1CCc2ccccc21 ZINC000032905682 212866046 /nfs/dbraw/zinc/86/60/46/212866046.db2.gz KHEKIZICMFCXEO-MRXNPFEDSA-N 0 0 348.215 4.348 50 0 EIAARN CC(=O)N(C)c1nc(CS[C@H]2CCCc3ccccc32)cs1 ZINC000071892685 215930580 /nfs/dbraw/zinc/93/05/80/215930580.db2.gz JODLEFPCBDSVOX-INIZCTEOSA-N 0 0 332.494 4.437 50 0 EIAARN CC1CCC(NC(=O)c2cccnc2SCC(F)(F)F)CC1 ZINC000032907899 212867750 /nfs/dbraw/zinc/86/77/50/212867750.db2.gz OOMLGGXFARDCQQ-UHFFFAOYSA-N 0 0 332.391 4.045 50 0 EIAARN CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000032905692 212866489 /nfs/dbraw/zinc/86/64/89/212866489.db2.gz OMINPKWARLOMCG-QGZVFWFLSA-N 0 0 333.353 4.394 50 0 EIAARN c1ccc2cc(OCCSc3nnc(-c4cccnc4)o3)ccc2c1 ZINC000032827035 212851215 /nfs/dbraw/zinc/85/12/15/212851215.db2.gz MNJHLWXJZGPJRL-UHFFFAOYSA-N 0 0 349.415 4.456 50 0 EIAARN Cc1nc2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2nc1C ZINC000032820440 212850664 /nfs/dbraw/zinc/85/06/64/212850664.db2.gz YNWXCSRYHARJHH-UHFFFAOYSA-N 0 0 343.430 4.176 50 0 EIAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1cnccn1 ZINC000032820329 212850419 /nfs/dbraw/zinc/85/04/19/212850419.db2.gz PGQMKHJUTPVYKM-UHFFFAOYSA-N 0 0 325.755 4.175 50 0 EIAARN CCOC(=O)c1ccoc1COC(=O)c1occc1-c1ccccc1 ZINC000032829143 212852445 /nfs/dbraw/zinc/85/24/45/212852445.db2.gz FOSZKTPLYBUWNE-UHFFFAOYSA-N 0 0 340.331 4.073 50 0 EIAARN O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000032398255 212799372 /nfs/dbraw/zinc/79/93/72/212799372.db2.gz NISFGJHJQTVBKI-SFHVURJKSA-N 0 0 343.448 4.181 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)N(Cc1cccnc1)C1CC1 ZINC000032335932 212798571 /nfs/dbraw/zinc/79/85/71/212798571.db2.gz IGMNGIPOPAFHQB-UHFFFAOYSA-N 0 0 342.442 4.482 50 0 EIAARN O=C1C[C@@H](c2c(F)cccc2Cl)c2cnn(C3CCCC3)c2N1 ZINC000072117830 216013020 /nfs/dbraw/zinc/01/30/20/216013020.db2.gz NCLHNBZMRHYDRG-LLVKDONJSA-N 0 0 333.794 4.265 50 0 EIAARN O=C1C[C@@H](c2ccc(F)cc2Cl)c2cnn(C3CCCC3)c2N1 ZINC000072140625 216027752 /nfs/dbraw/zinc/02/77/52/216027752.db2.gz MNTVOAODRGBONO-ZDUSSCGKSA-N 0 0 333.794 4.265 50 0 EIAARN CSc1ncccc1C(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC000031968333 212775786 /nfs/dbraw/zinc/77/57/86/212775786.db2.gz NJTOESCWINWRRQ-UHFFFAOYSA-N 0 0 341.461 4.488 50 0 EIAARN Cc1ccc2cccnc2c1OCc1nc(COc2ccccc2)no1 ZINC000072154972 216043397 /nfs/dbraw/zinc/04/33/97/216043397.db2.gz PRMLIWYQLIEPRN-UHFFFAOYSA-N 0 0 347.374 4.084 50 0 EIAARN CC(C)NC(=O)c1cc(N[C@@H](CC(C)(C)C)c2cccnc2)ccn1 ZINC000072156395 216045939 /nfs/dbraw/zinc/04/59/39/216045939.db2.gz NTXHRUBECQZWLM-SFHVURJKSA-N 0 0 340.471 4.204 50 0 EIAARN C[C@H](c1ccncn1)n1ccnc1-c1nc(-c2ccccc2)cs1 ZINC000072158416 216048867 /nfs/dbraw/zinc/04/88/67/216048867.db2.gz PDDSQRFGAMTGHT-CYBMUJFWSA-N 0 0 333.420 4.073 50 0 EIAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1OC ZINC000031819571 212750074 /nfs/dbraw/zinc/75/00/74/212750074.db2.gz IACVKGLSLZNTAD-HNNXBMFYSA-N 0 0 349.390 4.013 50 0 EIAARN CC[C@@H]1CN(Cc2c(Cl)ccc([O-])c2Cl)CC[N@@H+]1C(C)C ZINC000072165234 216054485 /nfs/dbraw/zinc/05/44/85/216054485.db2.gz NEVNKQZKEMJKRR-GFCCVEGCSA-N 0 0 331.287 4.004 50 0 EIAARN CCOC(=O)CSc1ncnc2sc(C)c(-c3ccccc3)c21 ZINC000031773331 212747964 /nfs/dbraw/zinc/74/79/64/212747964.db2.gz GNAYSOGAEMXVOS-UHFFFAOYSA-N 0 0 344.461 4.322 50 0 EIAARN COc1ccccc1-c1nccn1[C@H](C)c1ccccc1-n1cccn1 ZINC000072165811 216055225 /nfs/dbraw/zinc/05/52/25/216055225.db2.gz JDQJKXNTOZWAEG-MRXNPFEDSA-N 0 0 344.418 4.354 50 0 EIAARN CC(=O)C1(c2ccccc2)CCN(Cc2ccc(F)cc2F)CC1 ZINC000072163567 216051596 /nfs/dbraw/zinc/05/15/96/216051596.db2.gz XWARWFPWNBUXHG-UHFFFAOYSA-N 0 0 329.390 4.088 50 0 EIAARN O=C(c1ccccc1Oc1ccccc1)N1CC(c2cccnc2)C1 ZINC000072173728 216063453 /nfs/dbraw/zinc/06/34/53/216063453.db2.gz NKSQWIHSFQWLPB-UHFFFAOYSA-N 0 0 330.387 4.114 50 0 EIAARN COc1ccc(C)cc1NC(=O)N(C)[C@@H](C)c1nc(C)sc1C ZINC000072173984 216065150 /nfs/dbraw/zinc/06/51/50/216065150.db2.gz MAPRLSDNTHRATN-NSHDSACASA-N 0 0 333.457 4.302 50 0 EIAARN C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc2ccccc2c1 ZINC000072230397 216071034 /nfs/dbraw/zinc/07/10/34/216071034.db2.gz GFOBUJKDZPGNHP-OAHLLOKOSA-N 0 0 331.481 4.401 50 0 EIAARN CCOc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)cc2occc21 ZINC000072240111 216078900 /nfs/dbraw/zinc/07/89/00/216078900.db2.gz VEKBGEFAFIIFRN-UHFFFAOYSA-N 0 0 341.411 4.478 50 0 EIAARN Cc1ccc2c(Cl)c(C(=O)NCC[C@H](O)C(C)(C)C)sc2c1 ZINC000072243157 216082069 /nfs/dbraw/zinc/08/20/69/216082069.db2.gz RQORCAAIEPWVJW-ZDUSSCGKSA-N 0 0 339.888 4.390 50 0 EIAARN Cc1ccc2c(Cl)c(C(=O)NCC[C@H](O)c3ccco3)sc2c1 ZINC000072243137 216082411 /nfs/dbraw/zinc/08/24/11/216082411.db2.gz RTVDOVIWWONVSD-LBPRGKRZSA-N 0 0 349.839 4.310 50 0 EIAARN C[C@@H](NC(=O)CCc1ccsc1)c1nc(-c2ccncc2)cs1 ZINC000072275215 216100284 /nfs/dbraw/zinc/10/02/84/216100284.db2.gz LBLPMAAQMNNXMZ-GFCCVEGCSA-N 0 0 343.477 4.077 50 0 EIAARN CCCc1c(C)c2ccc(OCC(=O)c3ccccc3)cc2oc1=O ZINC000000408769 209572769 /nfs/dbraw/zinc/57/27/69/209572769.db2.gz SINMHVAKNAXDGA-UHFFFAOYSA-N 0 0 336.387 4.316 50 0 EIAARN COc1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 ZINC000000403723 209571783 /nfs/dbraw/zinc/57/17/83/209571783.db2.gz ZEWOHZKPMUYUJB-UHFFFAOYSA-N 0 0 336.387 4.178 50 0 biogenic EIAARN CCOC(=O)c1ccc(OC(=O)Nc2c(C)cccc2Cl)cc1 ZINC000000399692 209570030 /nfs/dbraw/zinc/57/00/30/209570030.db2.gz DSQPKSIMKOYNNO-UHFFFAOYSA-N 0 0 333.771 4.436 50 0 EIAARN O=C(Cc1ccccc1)c1ccccc1C(=O)NCCc1ccccc1 ZINC000000398461 209568393 /nfs/dbraw/zinc/56/83/93/209568393.db2.gz TYBYYSUEWHBRIB-UHFFFAOYSA-N 0 0 343.426 4.085 50 0 EIAARN COc1ccc(NC(=O)Cc2c(SC)c3ccccc3n2C)cc1 ZINC000000380825 209561381 /nfs/dbraw/zinc/56/13/81/209561381.db2.gz GUEIUIANFUXOTE-UHFFFAOYSA-N 0 0 340.448 4.090 50 0 EIAARN CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1 ZINC000000387927 209566054 /nfs/dbraw/zinc/56/60/54/209566054.db2.gz CPLBEUOYJJLBDM-UHFFFAOYSA-N 0 0 333.347 4.457 50 0 EIAARN CCc1ccc(OC(=O)c2ccc(OC)cc2)c(Br)c1 ZINC000000358947 209550064 /nfs/dbraw/zinc/55/00/64/209550064.db2.gz ACKMHJVKZXZOLK-UHFFFAOYSA-N 0 0 335.197 4.239 50 0 EIAARN Cc1cc(C)n(-c2c3ccccc3n(C)c(=O)c2-c2ccccc2)n1 ZINC000000344086 209543386 /nfs/dbraw/zinc/54/33/86/209543386.db2.gz FQDTULOJBQDIDI-UHFFFAOYSA-N 0 0 329.403 4.008 50 0 EIAARN CCC(=O)Oc1ccc2ccccc2c1CNC(=O)c1ccccc1 ZINC000000301183 209524364 /nfs/dbraw/zinc/52/43/64/209524364.db2.gz VGCIPXZUYXDFLB-UHFFFAOYSA-N 0 0 333.387 4.085 50 0 EIAARN CCOC[C@@H]1CCCN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000072283374 216112856 /nfs/dbraw/zinc/11/28/56/216112856.db2.gz CETPXZNLQSUXKM-GFCCVEGCSA-N 0 0 344.427 4.282 50 0 EIAARN O=c1c2c(nc3n1CCCS3)-c1ccccc1CC21CCCCC1 ZINC000000267378 209512027 /nfs/dbraw/zinc/51/20/27/209512027.db2.gz IMPBOKOHBGPDBD-UHFFFAOYSA-N 0 0 338.476 4.164 50 0 EIAARN Cc1csc([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)n1 ZINC000072298555 216137080 /nfs/dbraw/zinc/13/70/80/216137080.db2.gz ZZQKGZJAIRXDOU-OAHLLOKOSA-N 0 0 336.407 4.026 50 0 EIAARN Cc1c(NC(=O)C[C@@H]2CCc3ccccc32)cnn1-c1ccccc1 ZINC000129401447 223051799 /nfs/dbraw/zinc/05/17/99/223051799.db2.gz HEAAUHNVOJESPF-KRWDZBQOSA-N 0 0 331.419 4.239 50 0 EIAARN Cc1c(C(=O)Nc2cccc(Cl)c2)cnn1-c1cccc(C)c1 ZINC000029460399 212666897 /nfs/dbraw/zinc/66/68/97/212666897.db2.gz WANJANAJNNAMJH-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN CCOc1cc(CNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC ZINC000072331408 216155444 /nfs/dbraw/zinc/15/54/44/216155444.db2.gz QDZAGCZPKGATFH-UHFFFAOYSA-N 0 0 341.451 4.321 50 0 EIAARN CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@H](C)OCc1cccc(OC)c1 ZINC000107353119 219770032 /nfs/dbraw/zinc/77/00/32/219770032.db2.gz XHKRSZJGNUYAIM-BXWFABGCSA-N 0 0 333.472 4.028 50 0 EIAARN COc1c2ccc(Cl)cc2ncc1S(=O)(=O)c1ccc(C)cc1 ZINC000072332518 216156251 /nfs/dbraw/zinc/15/62/51/216156251.db2.gz RUWBHVPOOPWBJL-UHFFFAOYSA-N 0 0 347.823 4.038 50 0 EIAARN Cc1cccc2ncnc(NCC3(c4ccccc4)CCOCC3)c12 ZINC000072307822 216145551 /nfs/dbraw/zinc/14/55/51/216145551.db2.gz DJIRLSVPHZFCGA-UHFFFAOYSA-N 0 0 333.435 4.099 50 0 EIAARN Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000072311343 216147268 /nfs/dbraw/zinc/14/72/68/216147268.db2.gz NWSDVXBIRUQOKN-CYBMUJFWSA-N 0 0 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CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2ncsc2c1 ZINC000072454396 216240856 /nfs/dbraw/zinc/24/08/56/216240856.db2.gz SRDGVMAXFRFVTA-UHFFFAOYSA-N 0 0 349.415 4.224 50 0 EIAARN O=C(COc1cccc(Cl)c1)N(Cc1ccco1)Cc1ccco1 ZINC000027740143 212575789 /nfs/dbraw/zinc/57/57/89/212575789.db2.gz QYNMQEIVZBKTTN-UHFFFAOYSA-N 0 0 345.782 4.134 50 0 EIAARN COc1ccc(-c2nn(-c3ccccc3)cc2-c2ncc[nH]2)c(F)c1 ZINC000072479348 216259063 /nfs/dbraw/zinc/25/90/63/216259063.db2.gz CTPNLMVJHDCTJJ-UHFFFAOYSA-N 0 0 334.354 4.077 50 0 EIAARN O=C(Cc1ccccc1)[C@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000072481347 216262222 /nfs/dbraw/zinc/26/22/22/216262222.db2.gz IICOZBZBHUCURZ-KRWDZBQOSA-N 0 0 343.854 4.069 50 0 EIAARN CO[C@@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1Cl ZINC000131090581 223204637 /nfs/dbraw/zinc/20/46/37/223204637.db2.gz HFHWROYXESHGOJ-AWEZNQCLSA-N 0 0 340.757 4.127 50 0 EIAARN Cc1csc(C(C)(C)NCc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000072663074 216290332 /nfs/dbraw/zinc/29/03/32/216290332.db2.gz FMIUAMWGMFCIQP-UHFFFAOYSA-N 0 0 331.416 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CC(C)CCO[C@@H]1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 ZINC000075107285 216556190 /nfs/dbraw/zinc/55/61/90/216556190.db2.gz KTKCJRJEHUBAFY-MRXNPFEDSA-N 0 0 349.519 4.039 50 0 EIAARN O=C(Nc1ncc(-c2ccccc2)s1)NC1(CCO)CCCCC1 ZINC000075106552 216556856 /nfs/dbraw/zinc/55/68/56/216556856.db2.gz OMTROEXIGNKMKU-UHFFFAOYSA-N 0 0 345.468 4.017 50 0 EIAARN c1cc2c(ncnc2N2CCC[C@@H]2c2nc(-c3ccccc3)no2)s1 ZINC000193137217 240036092 /nfs/dbraw/zinc/03/60/92/240036092.db2.gz QPVKIZZIFUKJCL-CQSZACIVSA-N 0 0 349.419 4.083 50 0 EIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000022763596 212322115 /nfs/dbraw/zinc/32/21/15/212322115.db2.gz BVZJNRTVFVITJB-BPNCWPANSA-N 0 0 349.780 4.345 50 0 EIAARN COc1ccccc1C(=O)OCc1cc(-c2cc3ccccc3o2)on1 ZINC000022768991 212322161 /nfs/dbraw/zinc/32/21/61/212322161.db2.gz ZDMCDDZGFCOXQR-UHFFFAOYSA-N 0 0 349.342 4.453 50 0 EIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2sccc2C)c1 ZINC000022703840 212318685 /nfs/dbraw/zinc/31/86/85/212318685.db2.gz ZOXQOIXBEOBGGG-OAHLLOKOSA-N 0 0 331.437 4.051 50 0 EIAARN CCOc1ccccc1CNC(=O)c1c(C)noc1-c1cccs1 ZINC000022666367 212315819 /nfs/dbraw/zinc/31/58/19/212315819.db2.gz TXERJJAILZQRFP-UHFFFAOYSA-N 0 0 342.420 4.040 50 0 EIAARN Cc1ccc2oc(-c3cc4c(cc3Br)OCO4)nc2c1 ZINC000022657631 212315028 /nfs/dbraw/zinc/31/50/28/212315028.db2.gz PLBGZQFIJLXLHR-UHFFFAOYSA-N 0 0 332.153 4.294 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc(C)c3)on2)cc1 ZINC000022647795 212314166 /nfs/dbraw/zinc/31/41/66/212314166.db2.gz UHCBAZLHCRFLRO-CQSZACIVSA-N 0 0 336.391 4.150 50 0 EIAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc(C)cc1 ZINC000022627989 212313842 /nfs/dbraw/zinc/31/38/42/212313842.db2.gz LADLVDGNSVZLOC-UHFFFAOYSA-N 0 0 349.459 4.498 50 0 EIAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)C1CC1 ZINC000022626785 212313645 /nfs/dbraw/zinc/31/36/45/212313645.db2.gz SXRFXWLYMOCMCE-LBPRGKRZSA-N 0 0 343.448 4.425 50 0 EIAARN C/C=C(\C)C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC ZINC000022621573 212312000 /nfs/dbraw/zinc/31/20/00/212312000.db2.gz BOFKVEFDOGGATL-UUILKARUSA-N 0 0 329.421 4.497 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1)C1CC1 ZINC000022551521 212307231 /nfs/dbraw/zinc/30/72/31/212307231.db2.gz GLYJNZHERCOAIX-IBGZPJMESA-N 0 0 334.419 4.012 50 0 EIAARN Cc1noc(-c2ccccc2NC(=O)c2cccc3ccccc32)n1 ZINC000022463608 212299877 /nfs/dbraw/zinc/29/98/77/212299877.db2.gz CQHJDKKFAZLPMZ-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN Cc1cc(C(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c(C)o1 ZINC000075155376 216587061 /nfs/dbraw/zinc/58/70/61/216587061.db2.gz DSJYWJDJNXJXIU-QFIPXVFZSA-N 0 0 349.430 4.201 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc(-c2ccco2)no1 ZINC000022461999 212297596 /nfs/dbraw/zinc/29/75/96/212297596.db2.gz NUDNQSZPUOLYEG-MDZDMXLPSA-N 0 0 347.330 4.242 50 0 EIAARN Cc1cc(C(=O)COC(=O)c2sc3cccc(F)c3c2C)c(C)[nH]1 ZINC000022416711 212296879 /nfs/dbraw/zinc/29/68/79/212296879.db2.gz JUTPMYRZJHTONL-UHFFFAOYSA-N 0 0 345.395 4.333 50 0 EIAARN COc1cc(Cl)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1OC ZINC000022435392 212296914 /nfs/dbraw/zinc/29/69/14/212296914.db2.gz UEHKFLNMAGPWFZ-CHWSQXEVSA-N 0 0 349.789 4.239 50 0 EIAARN CO[C@@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1ccccc1 ZINC000193512572 240196203 /nfs/dbraw/zinc/19/62/03/240196203.db2.gz XJHDTARVZRIJRH-GOSISDBHSA-N 0 0 338.432 4.064 50 0 EIAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCC[C@H]1c1ccccc1 ZINC000022328658 212290803 /nfs/dbraw/zinc/29/08/03/212290803.db2.gz DSWBZXZJPUDAMN-HNNXBMFYSA-N 0 0 329.783 4.046 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000022257157 212286432 /nfs/dbraw/zinc/28/64/32/212286432.db2.gz OFLUNWFIDXFOKO-LBPRGKRZSA-N 0 0 330.453 4.142 50 0 EIAARN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1F ZINC000022181982 212280646 /nfs/dbraw/zinc/28/06/46/212280646.db2.gz VETIPIZKIRYEOO-UHFFFAOYSA-N 0 0 347.695 4.308 50 0 EIAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000022135016 212279420 /nfs/dbraw/zinc/27/94/20/212279420.db2.gz ZGDXIOHEZQWZCW-IBGZPJMESA-N 0 0 348.450 4.202 50 0 EIAARN O=C(N/C(=C/c1ccco1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000022147607 212279329 /nfs/dbraw/zinc/27/93/29/212279329.db2.gz QCLHOJMPEZNSLH-RVDMUPIBSA-N 0 0 335.388 4.146 50 0 EIAARN COc1cccc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 ZINC000211140685 241080882 /nfs/dbraw/zinc/08/08/82/241080882.db2.gz RRCRNPUWSRUXGB-GOSISDBHSA-N 0 0 327.449 4.016 50 0 EIAARN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000215235879 241114534 /nfs/dbraw/zinc/11/45/34/241114534.db2.gz GZGWDRKDXNVEPL-LJQANCHMSA-N 0 0 347.462 4.141 50 0 EIAARN Cc1csc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)c1 ZINC000206668014 241046588 /nfs/dbraw/zinc/04/65/88/241046588.db2.gz BEHHYJSTYJKYFP-UHFFFAOYSA-N 0 0 331.422 4.298 50 0 EIAARN Cc1nc(-c2ccccc2NC(=O)c2ccc3nccnc3c2)cs1 ZINC000208009424 241065621 /nfs/dbraw/zinc/06/56/21/241065621.db2.gz XZZXBLALBRAQLR-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN COc1ccccc1-c1ccc(-c2cccc(-c3cc[nH]n3)c2)nn1 ZINC000216096942 241164072 /nfs/dbraw/zinc/16/40/72/241164072.db2.gz VCIWZHKDKGZDPS-UHFFFAOYSA-N 0 0 328.375 4.209 50 0 EIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1csc(CCC)n1 ZINC000216194201 241169911 /nfs/dbraw/zinc/16/99/11/241169911.db2.gz DWOWYDQLFSGWDL-MRXNPFEDSA-N 0 0 331.485 4.494 50 0 EIAARN COC[C@@H](c1ccccn1)N(C)Cc1ccccc1OC1CCCC1 ZINC000216192524 241172412 /nfs/dbraw/zinc/17/24/12/241172412.db2.gz UHRRQQMKQPRIOP-FQEVSTJZSA-N 0 0 340.467 4.223 50 0 EIAARN O=C(c1scc2c1CCCC2)N1CCCC[C@@H]1c1ccccn1 ZINC000216229638 241174631 /nfs/dbraw/zinc/17/46/31/241174631.db2.gz LTBOEUWQXATIRG-QGZVFWFLSA-N 0 0 326.465 4.389 50 0 EIAARN Cc1ncc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(-c2ccccc2)n1 ZINC000216325912 241183349 /nfs/dbraw/zinc/18/33/49/241183349.db2.gz FBYOWUFWPXZXNB-GIOYIUAESA-N 0 0 347.462 4.103 50 0 EIAARN Cc1ccc2[nH]c([C@@H]3CCCN3Cc3ccncc3Cl)nc2c1 ZINC000216345730 241184040 /nfs/dbraw/zinc/18/40/40/241184040.db2.gz ZGJCIAKJVDQULM-KRWDZBQOSA-N 0 0 326.831 4.257 50 0 EIAARN COc1cc(CN2CCC(F)(F)CC2)ccc1OCC=C(C)C ZINC000216513121 241197727 /nfs/dbraw/zinc/19/77/27/241197727.db2.gz IBOYXOWYCMGFNL-UHFFFAOYSA-N 0 0 325.399 4.271 50 0 EIAARN CN(Cc1ccc([C@@H]2CCCCO2)s1)Cc1[nH]nc2c1CCCC2 ZINC000215362740 241122058 /nfs/dbraw/zinc/12/20/58/241122058.db2.gz WCKHCQTZFZZWNV-SFHVURJKSA-N 0 0 345.512 4.224 50 0 EIAARN CN(Cc1ccc(C(C)(C)C)cc1)Cc1nc(N)c2ccccc2n1 ZINC000022010552 212270067 /nfs/dbraw/zinc/27/00/67/212270067.db2.gz KOLRYVPHQYKUAR-UHFFFAOYSA-N 0 0 334.467 4.142 50 0 EIAARN CC(C)[C@@H](NC(=O)CCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000021974593 212267302 /nfs/dbraw/zinc/26/73/02/212267302.db2.gz UOPCLMUIYDRLDZ-OAQYLSRUSA-N 0 0 342.458 4.338 50 0 EIAARN Cc1nc(CSc2n[nH]c(C=Cc3ccc(F)cc3)n2)cs1 ZINC000021955828 212265855 /nfs/dbraw/zinc/26/58/55/212265855.db2.gz NXHZJYYTCVQIRW-QPJJXVBHSA-N 0 0 332.429 4.171 50 0 EIAARN Cc1sc(-c2cc[nH]n2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000075519305 216628347 /nfs/dbraw/zinc/62/83/47/216628347.db2.gz OTONHGGJNQUIEF-UHFFFAOYSA-N 0 0 334.404 4.247 50 0 EIAARN O=C(CSC1CCCC1)N1CCS[C@H](c2cccs2)CC1 ZINC000219460806 241388443 /nfs/dbraw/zinc/38/84/43/241388443.db2.gz ORNZSFOXNBTNGY-HNNXBMFYSA-N 0 0 341.567 4.431 50 0 EIAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)NCCC(C)C ZINC000021890295 212260275 /nfs/dbraw/zinc/26/02/75/212260275.db2.gz FDOUAYKYWNULCD-QGZVFWFLSA-N 0 0 325.456 4.500 50 0 EIAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)NCCC(C)C ZINC000021890291 212259871 /nfs/dbraw/zinc/25/98/71/212259871.db2.gz FDOUAYKYWNULCD-KRWDZBQOSA-N 0 0 325.456 4.500 50 0 EIAARN CCC[C@@H](C(=O)Nc1cccc(CC)c1)N1Cc2ccccc2C1=O ZINC000021868142 212257750 /nfs/dbraw/zinc/25/77/50/212257750.db2.gz BTFQSEZRHVKLDJ-IBGZPJMESA-N 0 0 336.435 4.012 50 0 EIAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3cccnc3[nH]2)c(C)c1 ZINC000021869522 212256749 /nfs/dbraw/zinc/25/67/49/212256749.db2.gz DREFHHBIUAVCAO-ZDUSSCGKSA-N 0 0 340.452 4.002 50 0 EIAARN O=C(COc1cccc(F)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000021829778 212254130 /nfs/dbraw/zinc/25/41/30/212254130.db2.gz XRJZHVPCXAAUOW-GOSISDBHSA-N 0 0 333.790 4.125 50 0 EIAARN C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000021797292 212250061 /nfs/dbraw/zinc/25/00/61/212250061.db2.gz PXLUQLCGDKGGTR-ZDUSSCGKSA-N 0 0 325.799 4.017 50 0 EIAARN O=C(CCCC(=O)c1ccccc1)NCc1ccnc(-c2ccco2)c1 ZINC000225655438 241971745 /nfs/dbraw/zinc/97/17/45/241971745.db2.gz AHXIPPAPJBGCRO-UHFFFAOYSA-N 0 0 348.402 4.011 50 0 EIAARN O=C(NCc1ccc(-c2cccnc2)nc1)Nc1ccccc1Cl ZINC000225766223 242025056 /nfs/dbraw/zinc/02/50/56/242025056.db2.gz QOZADNLXUAWIAI-UHFFFAOYSA-N 0 0 338.798 4.119 50 0 EIAARN O=C(Nc1ccccc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1 ZINC000226751237 242112520 /nfs/dbraw/zinc/11/25/20/242112520.db2.gz KDZJHLHLACXQTQ-UHFFFAOYSA-N 0 0 331.297 4.143 50 0 EIAARN CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000021661443 212239289 /nfs/dbraw/zinc/23/92/89/212239289.db2.gz BTNZBSMAIREODB-UHFFFAOYSA-N 0 0 333.370 4.113 50 0 EIAARN CC(C)c1cc([C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)no1 ZINC000021719107 212244526 /nfs/dbraw/zinc/24/45/26/212244526.db2.gz SRFDANQLRCHYKY-MRXNPFEDSA-N 0 0 332.831 4.358 50 0 EIAARN CC(C)Oc1ccc(CNC(=O)c2ncoc2-c2cccs2)cc1 ZINC000021641978 212235784 /nfs/dbraw/zinc/23/57/84/212235784.db2.gz IKKTVOKMHGDZLW-UHFFFAOYSA-N 0 0 342.420 4.120 50 0 EIAARN COc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1 ZINC000021631439 212234570 /nfs/dbraw/zinc/23/45/70/212234570.db2.gz ZTTHOIYJXJGJQU-UHFFFAOYSA-N 0 0 330.391 4.017 50 0 EIAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N(C)c1ccccc1 ZINC000021555402 212232211 /nfs/dbraw/zinc/23/22/11/212232211.db2.gz VTXLOULZNJSCRM-UHFFFAOYSA-N 0 0 333.435 4.133 50 0 EIAARN O=C(Nc1cccc2cccnc21)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000021551497 212232106 /nfs/dbraw/zinc/23/21/06/212232106.db2.gz GBEGNLUCYLUEJV-SFHVURJKSA-N 0 0 348.402 4.045 50 0 EIAARN Fc1ccccc1[C@@H](NCc1ccco1)c1nnc(-c2ccccc2)o1 ZINC000021538391 212230906 /nfs/dbraw/zinc/23/09/06/212230906.db2.gz OYMODMCUSYEYFM-GOSISDBHSA-N 0 0 349.365 4.348 50 0 EIAARN Cc1nn(-c2ccccc2C)c2c1[C@H](c1ccccc1)SCC(=O)N2 ZINC000021525021 212228743 /nfs/dbraw/zinc/22/87/43/212228743.db2.gz SZBIAAQYSNFCAF-IBGZPJMESA-N 0 0 349.459 4.264 50 0 EIAARN O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1ccco1 ZINC000021525380 212228769 /nfs/dbraw/zinc/22/87/69/212228769.db2.gz OHPSXRUVXIBLPV-HNNXBMFYSA-N 0 0 326.327 4.051 50 0 EIAARN Cc1cc(NC(=O)[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc2)no1 ZINC000229714992 242192226 /nfs/dbraw/zinc/19/22/26/242192226.db2.gz PRESOVRBDLIODM-ZSFPCNDZSA-N 0 0 341.455 4.077 50 0 EIAARN Cc1c(Cl)c(CN2CCO[C@@H]3CCCC[C@H]32)nc2ccccc12 ZINC000230136038 242238505 /nfs/dbraw/zinc/23/85/05/242238505.db2.gz DJQQEJJRDGZHND-QZTJIDSGSA-N 0 0 330.859 4.340 50 0 EIAARN Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1 ZINC000229821480 242203437 /nfs/dbraw/zinc/20/34/37/242203437.db2.gz APDPTEZNIIDUGX-CDHQVMDDSA-N 0 0 347.414 4.489 50 0 EIAARN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)/C=C\c1cc2ccccc2o1 ZINC000229879443 242211424 /nfs/dbraw/zinc/21/14/24/242211424.db2.gz VCDAQUJHYPTKKJ-HLIFMHAKSA-N 0 0 335.403 4.074 50 0 EIAARN Cc1c(Cl)c(CN2CCO[C@H]3CCCC[C@H]32)nc2ccccc12 ZINC000230136041 242237397 /nfs/dbraw/zinc/23/73/97/242237397.db2.gz DJQQEJJRDGZHND-MSOLQXFVSA-N 0 0 330.859 4.340 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000021410179 212223445 /nfs/dbraw/zinc/22/34/45/212223445.db2.gz VILCLAIQKDEZRV-INIZCTEOSA-N 0 0 334.419 4.460 50 0 EIAARN O=C(Nc1nncs1)c1ccccc1SCc1cccs1 ZINC000021214588 212216890 /nfs/dbraw/zinc/21/68/90/212216890.db2.gz IXCURANVOIYTFE-UHFFFAOYSA-N 0 0 333.463 4.144 50 0 EIAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)co1 ZINC000021111275 212208389 /nfs/dbraw/zinc/20/83/89/212208389.db2.gz GJBOMLZMACFNNU-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN Cc1ccc2cc3cc(C(=O)NCCc4ccccc4)oc3nc2c1 ZINC000021110080 212208249 /nfs/dbraw/zinc/20/82/49/212208249.db2.gz ZUTPFJVOCFDEGK-UHFFFAOYSA-N 0 0 330.387 4.262 50 0 EIAARN COc1ccccc1Nc1cc(C)nc2nc(-c3cccc(C)c3)nn21 ZINC000021089454 212205113 /nfs/dbraw/zinc/20/51/13/212205113.db2.gz ZNBCQMPYKYRJPB-UHFFFAOYSA-N 0 0 345.406 4.160 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000021046702 212203554 /nfs/dbraw/zinc/20/35/54/212203554.db2.gz RKFOYTUGBUZBDC-VQHVLOKHSA-N 0 0 325.364 4.363 50 0 EIAARN CCC[C@@H]1c2cccn2CCN1C(=O)Nc1cc(C)ccc1OC ZINC000021051309 212203353 /nfs/dbraw/zinc/20/33/53/212203353.db2.gz FHYPBALVFFKNHB-QGZVFWFLSA-N 0 0 327.428 4.194 50 0 EIAARN COc1cccc([C@@H](CC(=O)NCc2ccc(C)cc2)n2cccc2)c1 ZINC000020998397 212198253 /nfs/dbraw/zinc/19/82/53/212198253.db2.gz XEPQHPWBBVRBPF-OAQYLSRUSA-N 0 0 348.446 4.101 50 0 biogenic EIAARN COc1ccccc1NC(=O)C[C@@H](c1ccc(F)cc1)n1cccc1 ZINC000020997790 212196220 /nfs/dbraw/zinc/19/62/20/212196220.db2.gz RBZLCMJBGNECQR-SFHVURJKSA-N 0 0 338.382 4.254 50 0 EIAARN Cc1ccc(C)c(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1 ZINC000239259394 242951702 /nfs/dbraw/zinc/95/17/02/242951702.db2.gz ZEFIFGVSTCXILK-GUDVDZBRSA-N 0 0 333.431 4.377 50 0 EIAARN Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000242191270 243013101 /nfs/dbraw/zinc/01/31/01/243013101.db2.gz XEFWHCBIGJEZIM-GOEBONIOSA-N 0 0 328.387 4.066 50 0 EIAARN CCOc1ccc(NC(=O)N2CCn3c(C)ccc3[C@@H]2CC)cc1 ZINC000020900253 212185139 /nfs/dbraw/zinc/18/51/39/212185139.db2.gz VXRFPIWGDAXZGH-KRWDZBQOSA-N 0 0 327.428 4.194 50 0 EIAARN C=C1C(Nc2ccccc2C)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020900867 212184789 /nfs/dbraw/zinc/18/47/89/212184789.db2.gz VLECFRTXYAQOHI-UHFFFAOYSA-N 0 0 340.448 4.197 50 0 EIAARN O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1 ZINC000020894278 212183799 /nfs/dbraw/zinc/18/37/99/212183799.db2.gz HNHCQPYIYVRLBA-UHFFFAOYSA-N 0 0 347.827 4.413 50 0 EIAARN Cc1csc2nc(CSCc3ccc(Cl)cc3)cc(=O)n12 ZINC000020858824 212177001 /nfs/dbraw/zinc/17/70/01/212177001.db2.gz QDDIRUKHTZUKNI-UHFFFAOYSA-N 0 0 336.869 4.151 50 0 EIAARN Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000020815044 212173372 /nfs/dbraw/zinc/17/33/72/212173372.db2.gz LZGNPOJPYBCIKH-MRVPVSSYSA-N 0 0 327.211 4.018 50 0 EIAARN O=C1CS[C@@H](c2ccc(OC3CCCC3)cc2)c2c[nH]nc2N1 ZINC000020734954 212166721 /nfs/dbraw/zinc/16/67/21/212166721.db2.gz YUJVXOQZXOIEDH-INIZCTEOSA-N 0 0 329.425 4.155 50 0 EIAARN CN(C(=O)COc1ccc(F)cc1Cl)[C@@H]1CCCc2ccccc21 ZINC000020675636 212161927 /nfs/dbraw/zinc/16/19/27/212161927.db2.gz WRQHGRSMTAIMRA-QGZVFWFLSA-N 0 0 347.817 4.394 50 0 EIAARN COC(=O)c1cc(-c2ccc(C)cc2)nc2c(-c3ccccc3)cnn21 ZINC000020615661 212156316 /nfs/dbraw/zinc/15/63/16/212156316.db2.gz HPVPCHXAFCIECO-UHFFFAOYSA-N 0 0 343.386 4.158 50 0 EIAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)on1 ZINC000020580321 212149753 /nfs/dbraw/zinc/14/97/53/212149753.db2.gz GUSXWEWWKDEYRM-UHFFFAOYSA-N 0 0 342.420 4.068 50 0 EIAARN CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(C)c(C)c3)c21 ZINC000020575346 212148932 /nfs/dbraw/zinc/14/89/32/212148932.db2.gz XYCOEYVXLWWYLT-UHFFFAOYSA-N 0 0 325.368 4.068 50 0 EIAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3ccccc3Cl)c1CO2 ZINC000020509980 212141615 /nfs/dbraw/zinc/14/16/15/212141615.db2.gz OGKYBKIIRISPJP-UHFFFAOYSA-N 0 0 340.766 4.448 50 0 EIAARN O=C(Nc1cc(F)ccc1OCC1CC1)c1cccc2ncccc21 ZINC000252498886 243816910 /nfs/dbraw/zinc/81/69/10/243816910.db2.gz ROYHMRPKFRRKKD-UHFFFAOYSA-N 0 0 336.366 4.415 50 0 EIAARN CCC1=NO[C@@H](Cn2ccc(-c3cccc(-c4cccc(C)n4)c3)n2)C1 ZINC000020472564 212135076 /nfs/dbraw/zinc/13/50/76/212135076.db2.gz RRQTUUZZNVYFLY-LJQANCHMSA-N 0 0 346.434 4.475 50 0 EIAARN C=C1C(NC2CCCCC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020465847 212134578 /nfs/dbraw/zinc/13/45/78/212134578.db2.gz MZHDMXSENUOOJZ-UHFFFAOYSA-N 0 0 346.496 4.205 50 0 EIAARN CCC(CC)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000020454958 212132155 /nfs/dbraw/zinc/13/21/55/212132155.db2.gz ODELAZRTQUESIP-UHFFFAOYSA-N 0 0 334.366 4.205 50 0 EIAARN CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)s1 ZINC000077321635 216872423 /nfs/dbraw/zinc/87/24/23/216872423.db2.gz VTWYRAFRDXSTCU-OAHLLOKOSA-N 0 0 331.412 4.457 50 0 EIAARN O=C1CS[C@@H](c2cccc(Br)c2)N1C1CCCCC1 ZINC000019927451 212084761 /nfs/dbraw/zinc/08/47/61/212084761.db2.gz HZKBQWJUJRBRJK-HNNXBMFYSA-N 0 0 340.286 4.356 50 0 EIAARN Cc1ccc2nc(N3CCC[C@@H](OCc4cccnc4)C3)sc2c1 ZINC000077418974 216899466 /nfs/dbraw/zinc/89/94/66/216899466.db2.gz QBBMQEVCRCBVAR-MRXNPFEDSA-N 0 0 339.464 4.185 50 0 EIAARN CN1CCN([C@H]2Cc3ccccc3Sc3cccc(Cl)c32)CC1 ZINC000019802369 212070413 /nfs/dbraw/zinc/07/04/13/212070413.db2.gz HCYCWVOZOUONBP-INIZCTEOSA-N 0 0 344.911 4.336 50 0 EIAARN COc1ccc(F)c(F)c1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077505689 216922545 /nfs/dbraw/zinc/92/25/45/216922545.db2.gz IZXUNXCQYLCOBW-OAHLLOKOSA-N 0 0 349.352 4.480 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Nc1ccccc1C ZINC000019797037 212069045 /nfs/dbraw/zinc/06/90/45/212069045.db2.gz XGEYSXOXCWTPAI-UHFFFAOYSA-N 0 0 332.425 4.494 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257346362 244583462 /nfs/dbraw/zinc/58/34/62/244583462.db2.gz YSBQFDHILMUWPK-YDLIDXDJSA-N 0 0 332.484 4.387 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257357387 244584582 /nfs/dbraw/zinc/58/45/82/244584582.db2.gz NTIDOCUQWIFRTK-OMKWMAHMSA-N 0 0 334.500 4.179 50 0 EIAARN CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1C ZINC000019736770 212059661 /nfs/dbraw/zinc/05/96/61/212059661.db2.gz CPVBPROXDWRAPQ-UKRRQHHQSA-N 0 0 326.440 4.497 50 0 EIAARN COCCOc1ccc(NCCOc2ccc(Cl)cc2C)cc1 ZINC000019738271 212059487 /nfs/dbraw/zinc/05/94/87/212059487.db2.gz XHLHAHNAGLWYKT-UHFFFAOYSA-N 0 0 335.831 4.165 50 0 EIAARN Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000019736068 212058825 /nfs/dbraw/zinc/05/88/25/212058825.db2.gz HUMQKPRTRLANCA-SNVBAGLBSA-N 0 0 339.222 4.290 50 0 EIAARN CCCCCc1nnc(NC(=O)c2cccc3cccnc32)s1 ZINC000019627415 212051670 /nfs/dbraw/zinc/05/16/70/212051670.db2.gz SNFUACMWLMJDKF-UHFFFAOYSA-N 0 0 326.425 4.071 50 0 EIAARN O=C(c1ccc(F)cc1Br)N1CCCc2ccccc21 ZINC000019425486 212026773 /nfs/dbraw/zinc/02/67/73/212026773.db2.gz SUOLRBRYLPDBLC-UHFFFAOYSA-N 0 0 334.188 4.181 50 0 EIAARN CSc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000019360251 212020878 /nfs/dbraw/zinc/02/08/78/212020878.db2.gz DHRIGVPYBCIIJV-UHFFFAOYSA-N 0 0 346.927 4.380 50 0 EIAARN Cc1ccc(Cn2cc(-c3cnn(Cc4ccc(C)cc4)c3)cn2)cc1 ZINC000049586915 214021569 /nfs/dbraw/zinc/02/15/69/214021569.db2.gz ZDGOBMVKLLCOGQ-UHFFFAOYSA-N 0 0 342.446 4.460 50 0 EIAARN CC(C)n1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)n1 ZINC000049342712 214001247 /nfs/dbraw/zinc/00/12/47/214001247.db2.gz IGLZFIFDEGSATF-UHFFFAOYSA-N 0 0 345.406 4.260 50 0 EIAARN COc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)C(C)C)cc1 ZINC000019310909 212014090 /nfs/dbraw/zinc/01/40/90/212014090.db2.gz SRNJQXPLJFBHOB-IFXJQAMLSA-N 0 0 345.414 4.115 50 0 EIAARN O=C(Nc1cccc2ncccc21)c1ccc(F)cc1Br ZINC000019295457 212013088 /nfs/dbraw/zinc/01/30/88/212013088.db2.gz OFXSWJJPXCOLNM-UHFFFAOYSA-N 0 0 345.171 4.389 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2ccccc2)CC1 ZINC000049706056 214029330 /nfs/dbraw/zinc/02/93/30/214029330.db2.gz GJLIOHQXRDIXDK-UHFFFAOYSA-N 0 0 330.815 4.415 50 0 EIAARN Cc1cc(C[S@@](=O)[C@H](c2ccccc2)c2ccccc2C)no1 ZINC000078394599 217047155 /nfs/dbraw/zinc/04/71/55/217047155.db2.gz VKSHHSSUMGCPBT-XXBNENTESA-N 0 0 325.433 4.330 50 0 EIAARN Clc1ccc(C2(NCc3nc4ccccc4o3)CCOCC2)cc1 ZINC000078665137 217097695 /nfs/dbraw/zinc/09/76/95/217097695.db2.gz HLXCFXCYKLCKDT-UHFFFAOYSA-N 0 0 342.826 4.277 50 0 EIAARN CN(C)c1c(Cl)cccc1NC(=O)C[C@H]1OCCc2ccccc21 ZINC000078730477 217111262 /nfs/dbraw/zinc/11/12/62/217111262.db2.gz VPYIEQWZWYKUIS-QGZVFWFLSA-N 0 0 344.842 4.049 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(N)cc1 ZINC000017070813 211951209 /nfs/dbraw/zinc/95/12/09/211951209.db2.gz DJEIIMSIJWXHTD-JTQLQIEISA-N 0 0 336.844 4.050 50 0 EIAARN CCSc1nnc(NC(=O)c2csc3c2CC[C@H](C)C3)s1 ZINC000017016973 211945176 /nfs/dbraw/zinc/94/51/76/211945176.db2.gz VNPMBHGRMJRUQR-QMMMGPOBSA-N 0 0 339.511 4.089 50 0 EIAARN CSc1ccc(NC(=O)c2ncoc2[C@@H]2CCCO2)cc1Cl ZINC000078985964 217165519 /nfs/dbraw/zinc/16/55/19/217165519.db2.gz XPGTUAVFZSDTHN-NSHDSACASA-N 0 0 338.816 4.154 50 0 EIAARN Cc1cc(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)no1 ZINC000016604827 211919509 /nfs/dbraw/zinc/91/95/09/211919509.db2.gz IWZFJBFZSYRTDV-UHFFFAOYSA-N 0 0 333.800 4.321 50 0 EIAARN Cc1noc(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)n1 ZINC000079018159 217176251 /nfs/dbraw/zinc/17/62/51/217176251.db2.gz HMVLZIINEJXVLR-KRWDZBQOSA-N 0 0 331.778 4.050 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)c1ccnc(Br)c1 ZINC000079096984 217191373 /nfs/dbraw/zinc/19/13/73/217191373.db2.gz NORBFDQFEDIKMR-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN Cc1ccc([C@H]2Cn3nc(C(=O)Nc4ccccc4C)cc3CO2)cc1 ZINC000263619239 245464054 /nfs/dbraw/zinc/46/40/54/245464054.db2.gz XPTMUMXXINXWOA-HXUWFJFHSA-N 0 0 347.418 4.024 50 0 EIAARN Cc1cc(C)c(OCC(O)COc2c(C)cc(C)cc2C)c(C)c1 ZINC000263619740 245466376 /nfs/dbraw/zinc/46/63/76/245466376.db2.gz QAMIBKBKPRWTHA-UHFFFAOYSA-N 0 0 328.452 4.356 50 0 EIAARN CC(=O)Nc1ccc(F)c(NC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000079350414 217212387 /nfs/dbraw/zinc/21/23/87/217212387.db2.gz IDWPBFMGJMQPSR-LJQANCHMSA-N 0 0 345.418 4.138 50 0 EIAARN CC(=O)N(C)Cc1cccc(NC(=O)N(C)C2CCCCCCC2)c1 ZINC000079333238 217209332 /nfs/dbraw/zinc/20/93/32/217209332.db2.gz VFEYKXAAXNKZDN-UHFFFAOYSA-N 0 0 345.487 4.242 50 0 EIAARN CCc1c(C)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c1=O ZINC000015952045 211871550 /nfs/dbraw/zinc/87/15/50/211871550.db2.gz LRDUHGVACATWTG-UHFFFAOYSA-N 0 0 329.403 4.227 50 0 EIAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)co1 ZINC000015941460 211871452 /nfs/dbraw/zinc/87/14/52/211871452.db2.gz QCWMBGAHQWBCAU-UHFFFAOYSA-N 0 0 348.811 4.104 50 0 EIAARN CC(C)n1c(CNC(=O)c2cccc3c2ccn3C)nc2ccccc21 ZINC000079482536 217231157 /nfs/dbraw/zinc/23/11/57/217231157.db2.gz DSYOPUSGIMRHEN-UHFFFAOYSA-N 0 0 346.434 4.039 50 0 EIAARN Cc1nn(Cc2ccccc2)c2c1[C@H](C(F)(F)F)SCC(=O)N2 ZINC000079490225 217232820 /nfs/dbraw/zinc/23/28/20/217232820.db2.gz WZYZNWWCKKQHIF-CYBMUJFWSA-N 0 0 341.358 4.178 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2cc[nH]c2c1 ZINC000079488711 217233047 /nfs/dbraw/zinc/23/30/47/217233047.db2.gz XBEFCMDOPNKJOQ-UHFFFAOYSA-N 0 0 331.375 4.394 50 0 EIAARN Cn1nc(-c2cccs2)cc1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000079474101 217228787 /nfs/dbraw/zinc/22/87/87/217228787.db2.gz SRYILEBJGMMCAB-UHFFFAOYSA-N 0 0 346.481 4.155 50 0 EIAARN Cc1ccc(-c2nn3ccnc(Nc4cccc(F)c4)c3c2C=O)cc1 ZINC000015829419 211856630 /nfs/dbraw/zinc/85/66/30/211856630.db2.gz LCWHEHDLXYFWLI-UHFFFAOYSA-N 0 0 346.365 4.400 50 0 EIAARN O=C(CSc1nccn1C1CCCCC1)Nc1ccccc1F ZINC000015825315 211856306 /nfs/dbraw/zinc/85/63/06/211856306.db2.gz ROKUAIUUNITYBN-UHFFFAOYSA-N 0 0 333.432 4.258 50 0 EIAARN O=C(Nc1ccccc1Cl)c1noc2c1CCc1sccc1-2 ZINC000015733251 211847695 /nfs/dbraw/zinc/84/76/95/211847695.db2.gz NIAPTMATMFSSAO-UHFFFAOYSA-N 0 0 330.796 4.407 50 0 EIAARN CCOC(=O)c1c(C)oc2nc(C)nc(Nc3cccc(Cl)c3)c21 ZINC000015727324 211845579 /nfs/dbraw/zinc/84/55/79/211845579.db2.gz AGXGQFOROZCFOE-UHFFFAOYSA-N 0 0 345.786 4.413 50 0 EIAARN O=C(/C=C/c1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000015699948 211844147 /nfs/dbraw/zinc/84/41/47/211844147.db2.gz ZBSNYELTOGYDHC-SOFGYWHQSA-N 0 0 327.405 4.442 50 0 EIAARN CN(C(=O)c1noc2c1CSc1ccccc1-2)C1CCCCC1 ZINC000015673898 211839807 /nfs/dbraw/zinc/83/98/07/211839807.db2.gz LHCQGMUNDSVKKG-UHFFFAOYSA-N 0 0 328.437 4.352 50 0 EIAARN C[C@@H](NC(=O)Cc1cc(F)ccc1F)c1nc(C(C)(C)C)cs1 ZINC000080087568 217278496 /nfs/dbraw/zinc/27/84/96/217278496.db2.gz ZISOTQHLYAQVJZ-SNVBAGLBSA-N 0 0 338.423 4.139 50 0 EIAARN Cc1ccc(C)c(NC(=O)[C@H](C)SCCOc2ccccc2)c1 ZINC000015491355 211826095 /nfs/dbraw/zinc/82/60/95/211826095.db2.gz GGOWFEZZVROONS-INIZCTEOSA-N 0 0 329.465 4.443 50 0 EIAARN Cc1cc(C)n2c(nnc2SCc2cccc(C(F)(F)F)c2)n1 ZINC000015277552 211812014 /nfs/dbraw/zinc/81/20/14/211812014.db2.gz HRQDDACRQUOQRZ-UHFFFAOYSA-N 0 0 338.358 4.052 50 0 EIAARN Cc1ccc(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)c1 ZINC000015318418 211815159 /nfs/dbraw/zinc/81/51/59/211815159.db2.gz OPQJYPZECMMUEQ-UHFFFAOYSA-N 0 0 325.408 4.034 50 0 EIAARN O=C1C[C@@H](c2ccc(F)cc2)c2sc(Nc3ccccc3)nc2N1 ZINC000015110003 211802449 /nfs/dbraw/zinc/80/24/49/211802449.db2.gz WYDDATYYOZKJBO-AWEZNQCLSA-N 0 0 339.395 4.500 50 0 EIAARN O=C1C[C@@H](c2ccc(O)cc2)c2sc(Nc3ccccc3)nc2N1 ZINC000015109984 211802520 /nfs/dbraw/zinc/80/25/20/211802520.db2.gz KJBZXDDERLSQMH-AWEZNQCLSA-N 0 0 337.404 4.066 50 0 EIAARN O=C(Nc1scnc1-c1ccccc1)[C@H]1OCCc2ccccc21 ZINC000138545853 223705959 /nfs/dbraw/zinc/70/59/59/223705959.db2.gz LTWPYNZQEYBQNF-KRWDZBQOSA-N 0 0 336.416 4.063 50 0 EIAARN O=C(NCCCc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000014246180 211720444 /nfs/dbraw/zinc/72/04/44/211720444.db2.gz UYQGANASUUWMMI-UHFFFAOYSA-N 0 0 330.840 4.312 50 0 EIAARN CC(=O)c1csc(NC(=O)c2ccccc2Oc2ccccc2)n1 ZINC000014199611 211709329 /nfs/dbraw/zinc/70/93/29/211709329.db2.gz LPZRTIHJPCCMRC-UHFFFAOYSA-N 0 0 338.388 4.390 50 0 EIAARN C[C@H]1CCN(C(=O)c2cnc3ccccc3n2)c2ccccc2S1 ZINC000014166535 211697838 /nfs/dbraw/zinc/69/78/38/211697838.db2.gz ZPALBKXUWPXLLC-ZDUSSCGKSA-N 0 0 335.432 4.161 50 0 EIAARN O=C(CSc1ccc(F)cc1)NCCCSc1ccccc1 ZINC000014169964 211699107 /nfs/dbraw/zinc/69/91/07/211699107.db2.gz VDYJTIYOBJEMGP-UHFFFAOYSA-N 0 0 335.469 4.216 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3cccc4ncccc43)o2)cs1 ZINC000014136865 211689891 /nfs/dbraw/zinc/68/98/91/211689891.db2.gz GCUHZMTYLSSRJM-UHFFFAOYSA-N 0 0 349.415 4.190 50 0 EIAARN CCn1cc(CC(=O)Nc2ccnn2[C@H](C)C2CC2)c2ccccc21 ZINC000083843382 217558764 /nfs/dbraw/zinc/55/87/64/217558764.db2.gz NISTYTGQQCXBKK-CQSZACIVSA-N 0 0 336.439 4.010 50 0 EIAARN CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(Cl)cn1 ZINC000084109114 217575796 /nfs/dbraw/zinc/57/57/96/217575796.db2.gz SASUYVDWDPUMBT-UHFFFAOYSA-N 0 0 332.190 4.213 50 0 EIAARN Cc1ccc(NC(=O)NCc2nnc(-c3ccccc3)s2)c(C)c1 ZINC000084133450 217577818 /nfs/dbraw/zinc/57/78/18/217577818.db2.gz DXOAIFUXXNJYEE-UHFFFAOYSA-N 0 0 338.436 4.144 50 0 EIAARN CCOc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000013957963 211660433 /nfs/dbraw/zinc/66/04/33/211660433.db2.gz QITMCUHSSYQVSN-UHFFFAOYSA-N 0 0 342.826 4.193 50 0 EIAARN COCCN(C(=S)Nc1ccc(C)cc1C)[C@@H](C)c1ccco1 ZINC000013543367 211573856 /nfs/dbraw/zinc/57/38/56/211573856.db2.gz ZZUQNIQGUAJCHE-HNNXBMFYSA-N 0 0 332.469 4.303 50 0 EIAARN CNc1snc(C)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000089532623 217809581 /nfs/dbraw/zinc/80/95/81/217809581.db2.gz VCXCOIFLDJSMFI-UHFFFAOYSA-N 0 0 344.484 4.126 50 0 EIAARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)cc1 ZINC000012992451 211502893 /nfs/dbraw/zinc/50/28/93/211502893.db2.gz VULCVEUCZRHYHF-NADMHLTPSA-N 0 0 327.449 4.306 50 0 EIAARN Cc1ccccc1N(C(=O)CCc1nnc(C2CCCC2)o1)C(C)C ZINC000089690467 217827214 /nfs/dbraw/zinc/82/72/14/217827214.db2.gz LNFWQSGCWQGFLG-UHFFFAOYSA-N 0 0 341.455 4.410 50 0 EIAARN Cc1cccc(Cc2cnc(NC(=O)c3cccnc3)s2)c1Cl ZINC000012917628 211483357 /nfs/dbraw/zinc/48/33/57/211483357.db2.gz NAAWHLZDFFPOCW-UHFFFAOYSA-N 0 0 343.839 4.343 50 0 EIAARN FC(F)Oc1ccc(C2=NNC(=NC3CCCCC3)SC2)cc1 ZINC000012946336 211491799 /nfs/dbraw/zinc/49/17/99/211491799.db2.gz UGSZCKLZSPPSDO-UHFFFAOYSA-N 0 0 339.411 4.017 50 0 EIAARN O=C(CSc1nc2ccccc2s1)N[C@@H]1CCc2ccccc21 ZINC000012947589 211491623 /nfs/dbraw/zinc/49/16/23/211491623.db2.gz SFCTXJKVULUHPS-CQSZACIVSA-N 0 0 340.473 4.192 50 0 EIAARN CCOc1cc2c(cc1NC(=O)Cc1ccc(Cl)cc1)O[C@H](C)C2 ZINC000012787850 211456770 /nfs/dbraw/zinc/45/67/70/211456770.db2.gz RJVNOAZJGIDMPY-GFCCVEGCSA-N 0 0 345.826 4.243 50 0 EIAARN CC(C)c1ccc([C@H](O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000012894737 211477732 /nfs/dbraw/zinc/47/77/32/211477732.db2.gz JMEOAOMQOWGGPM-QGZVFWFLSA-N 0 0 343.496 4.440 50 0 EIAARN Cc1ccccc1CN(C)C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000012891209 211476229 /nfs/dbraw/zinc/47/62/29/211476229.db2.gz FMEBLGPWBSRQCG-UHFFFAOYSA-N 0 0 341.410 4.479 50 0 EIAARN Clc1ccc(C2=NNC(=NCc3ccco3)SC2)c(Cl)c1 ZINC000012814568 211464557 /nfs/dbraw/zinc/46/45/57/211464557.db2.gz DCNWBERHBDDGBU-UHFFFAOYSA-N 0 0 340.235 4.183 50 0 EIAARN C[C@@H](OC(=O)c1ccc(F)cc1F)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012815245 211464411 /nfs/dbraw/zinc/46/44/11/211464411.db2.gz SNUKVOXFVYGYID-JIEKGTPASA-N 0 0 348.389 4.296 50 0 EIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3F)c12 ZINC000012746801 211444409 /nfs/dbraw/zinc/44/44/09/211444409.db2.gz XCGYVWDZWYMAKL-UHFFFAOYSA-N 0 0 337.310 4.183 50 0 EIAARN O=C(CC1=CCCCC1)N1CCc2onc(-c3ccccc3F)c2C1 ZINC000012704404 211435856 /nfs/dbraw/zinc/43/58/56/211435856.db2.gz QNYCQJVVLURCIW-UHFFFAOYSA-N 0 0 340.398 4.256 50 0 EIAARN COc1ccc(-c2cc(CNC(=O)c3cc4ccccc4o3)no2)cc1 ZINC000012638244 211427930 /nfs/dbraw/zinc/42/79/30/211427930.db2.gz YKPCWYMRXUQOLL-UHFFFAOYSA-N 0 0 348.358 4.026 50 0 EIAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1F ZINC000012624298 211426062 /nfs/dbraw/zinc/42/60/62/211426062.db2.gz DXHGFLNLOYKRCI-UHFFFAOYSA-N 0 0 331.696 4.428 50 0 EIAARN CCN(CC)C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000012758649 211448044 /nfs/dbraw/zinc/44/80/44/211448044.db2.gz PFAUFLHNTLLIFD-UHFFFAOYSA-N 0 0 343.427 4.222 50 0 EIAARN CCN1CCc2nc3ccccc3c(C(=O)Nc3ccccc3F)c2C1 ZINC000012568812 211413336 /nfs/dbraw/zinc/41/33/36/211413336.db2.gz AWBUEELUDWQQKY-UHFFFAOYSA-N 0 0 349.409 4.004 50 0 EIAARN CN(C)c1cccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000012554827 211408783 /nfs/dbraw/zinc/40/87/83/211408783.db2.gz RDMYVGCVCCBPMR-MRXNPFEDSA-N 0 0 346.883 4.373 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)c1ccccc1OCc1ccccc1 ZINC000012546305 211406427 /nfs/dbraw/zinc/40/64/27/211406427.db2.gz ZRPSFWNCNUPCHL-UHFFFAOYSA-N 0 0 343.386 4.394 50 0 EIAARN COc1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 ZINC000012618520 211424737 /nfs/dbraw/zinc/42/47/37/211424737.db2.gz RIYYUUKSCDDDDD-UHFFFAOYSA-N 0 0 340.354 4.061 50 0 EIAARN Cc1cc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)on1 ZINC000012422380 211376452 /nfs/dbraw/zinc/37/64/52/211376452.db2.gz HTZDRHACAVWFKC-UHFFFAOYSA-N 0 0 327.409 4.482 50 0 EIAARN Cc1ccccc1[C@@H](CC(=O)NCc1ccccn1)c1ccccc1 ZINC000012429228 211378639 /nfs/dbraw/zinc/37/86/39/211378639.db2.gz WSPGTYBGYQQASG-NRFANRHFSA-N 0 0 330.431 4.228 50 0 EIAARN FC(F)(F)c1nn2c(nnc2-c2ccc(Cl)cc2Cl)s1 ZINC000012428505 211377622 /nfs/dbraw/zinc/37/76/22/211377622.db2.gz VRJZVRSBCOVNNK-UHFFFAOYSA-N 0 0 339.129 4.178 50 0 EIAARN O=C(c1cc2c(nc3sccn23)s1)N1CCC[C@H]1C1CCCC1 ZINC000089885401 217871723 /nfs/dbraw/zinc/87/17/23/217871723.db2.gz ACGPFSDATBJUMW-LBPRGKRZSA-N 0 0 345.493 4.405 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)c1cn(C)c2ccccc12 ZINC000012527200 211399419 /nfs/dbraw/zinc/39/94/19/211399419.db2.gz OYVPWTPIPQBMIB-UHFFFAOYSA-N 0 0 330.790 4.243 50 0 EIAARN O=c1[nH]cccc1-c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000012475031 211391927 /nfs/dbraw/zinc/39/19/27/211391927.db2.gz UJGMYJBVBUFOLE-UHFFFAOYSA-N 0 0 335.794 4.093 50 0 EIAARN COc1cccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)c1 ZINC000012469397 211389844 /nfs/dbraw/zinc/38/98/44/211389844.db2.gz NDMGZDZLWNUWEX-SJORKVTESA-N 0 0 340.814 4.086 50 0 EIAARN Cc1c(CN2CCc3c4ccccc4[nH]c3[C@H]2CC(C)C)cnn1C ZINC000012454025 211386595 /nfs/dbraw/zinc/38/65/95/211386595.db2.gz OPRFYATWUYOCJC-HXUWFJFHSA-N 0 0 336.483 4.355 50 0 EIAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCCc2ccccc21 ZINC000089894193 217875492 /nfs/dbraw/zinc/87/54/92/217875492.db2.gz MCOOMDYSXOTRCU-WBMJQRKESA-N 0 0 325.374 4.296 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1 ZINC000012404360 211368612 /nfs/dbraw/zinc/36/86/12/211368612.db2.gz CBMBFQMGBDCNJF-UHFFFAOYSA-N 0 0 343.814 4.220 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)C1=C(c2ccccc2)SCCO1 ZINC000012391778 211367725 /nfs/dbraw/zinc/36/77/25/211367725.db2.gz QKBNQQHXBKPBSI-UHFFFAOYSA-N 0 0 331.824 4.411 50 0 EIAARN Clc1ccccc1-c1nnc2ccc(SCc3ccco3)nn21 ZINC000012323210 211347273 /nfs/dbraw/zinc/34/72/73/211347273.db2.gz DIHWHFZUIMQBLX-UHFFFAOYSA-N 0 0 342.811 4.330 50 0 EIAARN COc1ccc(Cl)cc1-c1nnc2sc(-c3ccsc3)nn21 ZINC000012322450 211346402 /nfs/dbraw/zinc/34/64/02/211346402.db2.gz TVVQZJXRLKDHKA-UHFFFAOYSA-N 0 0 348.840 4.243 50 0 EIAARN CN(Cc1cccnc1)C(=O)C[C@H](c1ccccc1)c1ccccc1F ZINC000012373702 211358234 /nfs/dbraw/zinc/35/82/34/211358234.db2.gz LYMBWAWSLMDDKA-HXUWFJFHSA-N 0 0 348.421 4.401 50 0 EIAARN CCCc1c(C(=O)Nc2ccccc2C)nnn1-c1ccc(C)cc1 ZINC000012274049 211331761 /nfs/dbraw/zinc/33/17/61/211331761.db2.gz BMKMJEYSMOOTMA-UHFFFAOYSA-N 0 0 334.423 4.089 50 0 EIAARN CCCCc1ccc(-n2nnc(-c3nnc(-c4ccco4)o3)c2C)cc1 ZINC000012274305 211331635 /nfs/dbraw/zinc/33/16/35/211331635.db2.gz BYNCZYATTOMSGD-UHFFFAOYSA-N 0 0 349.394 4.228 50 0 EIAARN Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)c1ccccn1 ZINC000012249802 211330609 /nfs/dbraw/zinc/33/06/09/211330609.db2.gz ZLBJOZRCYWLHNB-UHFFFAOYSA-N 0 0 331.400 4.172 50 0 EIAARN O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1cccc(F)c1 ZINC000012235648 211327179 /nfs/dbraw/zinc/32/71/79/211327179.db2.gz IVZAIFGXDVNLIC-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cc1 ZINC000012302668 211340202 /nfs/dbraw/zinc/34/02/02/211340202.db2.gz QSKRYUVRZFCFDD-LJQANCHMSA-N 0 0 338.451 4.029 50 0 EIAARN Cc1nc(SCC(=O)c2cccc(Cl)c2)nc2c1CCCC2 ZINC000012176544 211311199 /nfs/dbraw/zinc/31/11/99/211311199.db2.gz JTDSVXNKIVPDLI-UHFFFAOYSA-N 0 0 332.856 4.292 50 0 EIAARN Cc1nc2ccccc2c(C)c1CC(=O)N1CCc2sccc2C1 ZINC000012214499 211323091 /nfs/dbraw/zinc/32/30/91/211323091.db2.gz NWIJQBJVVJGOQK-UHFFFAOYSA-N 0 0 336.460 4.041 50 0 EIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCc2sccc2C1 ZINC000012216426 211322175 /nfs/dbraw/zinc/32/21/75/211322175.db2.gz DSGHYJCDDOIXPB-UHFFFAOYSA-N 0 0 334.444 4.317 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000012138233 211303087 /nfs/dbraw/zinc/30/30/87/211303087.db2.gz QOPFEWHZBCNXEI-UHFFFAOYSA-N 0 0 330.815 4.121 50 0 EIAARN O=C(Nc1ccccc1OCCCc1ccccc1)c1cccnc1 ZINC000012137953 211302016 /nfs/dbraw/zinc/30/20/16/211302016.db2.gz XBTMLYHHSHGZED-UHFFFAOYSA-N 0 0 332.403 4.346 50 0 EIAARN Cc1cc(C)nc(Oc2cccc(NC(=O)c3ccccc3C)c2)n1 ZINC000012089929 211290069 /nfs/dbraw/zinc/29/00/69/211290069.db2.gz DVVCSYUKHDZGQT-UHFFFAOYSA-N 0 0 333.391 4.446 50 0 EIAARN COc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)cc1 ZINC000012062970 211285733 /nfs/dbraw/zinc/28/57/33/211285733.db2.gz DXUUNOIMICRGRQ-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN CCCC(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000012056036 211285349 /nfs/dbraw/zinc/28/53/49/211285349.db2.gz LHVGTTPGYVOHLV-AWEZNQCLSA-N 0 0 335.856 4.288 50 0 EIAARN Cc1nc2c(c(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)n1)CCC2 ZINC000012016753 211280061 /nfs/dbraw/zinc/28/00/61/211280061.db2.gz SWFPMWZOVYNCNR-JTQLQIEISA-N 0 0 347.871 4.046 50 0 EIAARN Cc1nc2c(c(SCC(=O)Nc3ccccc3C(C)C)n1)CCC2 ZINC000012016822 211279174 /nfs/dbraw/zinc/27/91/74/211279174.db2.gz PWSYNNYJXGHPMH-UHFFFAOYSA-N 0 0 341.480 4.128 50 0 EIAARN CC(C)n1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000012002226 211277072 /nfs/dbraw/zinc/27/70/72/211277072.db2.gz FCMRMNOLZJARED-KRWDZBQOSA-N 0 0 345.874 4.212 50 0 EIAARN Cc1cc(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)cc(C)c1Cl ZINC000011915465 211267965 /nfs/dbraw/zinc/26/79/65/211267965.db2.gz MEDHOMCSABAKQW-JTQLQIEISA-N 0 0 348.830 4.087 50 0 EIAARN CC1(C)CN(C(=O)Nc2ccccc2-c2ccccc2)CC[C@]1(C)O ZINC000091459714 218009880 /nfs/dbraw/zinc/00/98/80/218009880.db2.gz UBGBBKBGLYYMRR-NRFANRHFSA-N 0 0 338.451 4.368 50 0 EIAARN CCCc1nc(C(=O)N2CCC3(CCc4ccccc43)CC2)cs1 ZINC000091468887 218011384 /nfs/dbraw/zinc/01/13/84/218011384.db2.gz KQDSRQGTRNNNSY-UHFFFAOYSA-N 0 0 340.492 4.216 50 0 EIAARN COc1ccc2c(C)c(C(=O)N3CC[C@@H]3c3ccc(F)cc3)oc2c1 ZINC000091616481 218031867 /nfs/dbraw/zinc/03/18/67/218031867.db2.gz AHGYLINPKZDUEO-QGZVFWFLSA-N 0 0 339.366 4.476 50 0 EIAARN O=C(CS[C@H]1CCc2ccccc2NC1=O)Nc1ccccc1F ZINC000011865815 211260477 /nfs/dbraw/zinc/26/04/77/211260477.db2.gz POWHJVSRABSEFW-INIZCTEOSA-N 0 0 344.411 4.100 50 0 EIAARN Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000011844615 211256621 /nfs/dbraw/zinc/25/66/21/211256621.db2.gz VJVNEDOTHFQMRN-CQSZACIVSA-N 0 0 348.393 4.055 50 0 EIAARN Cc1cc(N2CCCC2)ccc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000011770284 211246808 /nfs/dbraw/zinc/24/68/08/211246808.db2.gz OFXDZCRYSMYSNZ-UHFFFAOYSA-N 0 0 333.435 4.258 50 0 EIAARN C[C@@H](NC(=O)c1cn(C2CCCCC2)nn1)c1cccc2ccccc21 ZINC000011771557 211246033 /nfs/dbraw/zinc/24/60/33/211246033.db2.gz DLTIELLVAGRZLT-OAHLLOKOSA-N 0 0 348.450 4.428 50 0 EIAARN Fc1ccc(COc2ccc(-c3nnco3)cc2)c(Br)c1 ZINC000011746965 211242788 /nfs/dbraw/zinc/24/27/88/211242788.db2.gz HYURWIOBWSNEJT-UHFFFAOYSA-N 0 0 349.159 4.217 50 0 EIAARN Cc1ccc(OC[C@@H](O)CSc2ccccn2)c(C(C)(C)C)c1 ZINC000011692579 211235905 /nfs/dbraw/zinc/23/59/05/211235905.db2.gz GLNXCSFNGJPTTM-OAHLLOKOSA-N 0 0 331.481 4.220 50 0 EIAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccc(C)c(C)c1 ZINC000011690138 211234164 /nfs/dbraw/zinc/23/41/64/211234164.db2.gz JHZRWVANJCDDMI-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN CCSc1nnc(NC(=O)c2cc(-c3ccccc3)oc2C)s1 ZINC000011667569 211232212 /nfs/dbraw/zinc/23/22/12/211232212.db2.gz JOHFVWNVMCKUAT-UHFFFAOYSA-N 0 0 345.449 4.471 50 0 EIAARN Cc1ncsc1CCN(C)C(=O)c1[nH]c2c(c1C)c(C)ccc2C ZINC000091756812 218060965 /nfs/dbraw/zinc/06/09/65/218060965.db2.gz LHIROIGBWJBGGA-UHFFFAOYSA-N 0 0 341.480 4.173 50 0 EIAARN CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 ZINC000011636969 211227656 /nfs/dbraw/zinc/22/76/56/211227656.db2.gz LFBLRYFRXIJFMT-SFHVURJKSA-N 0 0 327.424 4.362 50 0 EIAARN COc1cc(OC)c(NC(=O)Cc2c[nH]c3ccccc23)cc1Cl ZINC000011601468 211224445 /nfs/dbraw/zinc/22/44/45/211224445.db2.gz KSBHMDLUTUVRKR-UHFFFAOYSA-N 0 0 344.798 4.020 50 0 EIAARN CC[C@H](NC(=O)Cc1c(C)[nH]c2c1cccc2F)c1cc(C)ccn1 ZINC000091915511 218088373 /nfs/dbraw/zinc/08/83/73/218088373.db2.gz SXUCTMGPUWOOJW-KRWDZBQOSA-N 0 0 339.414 4.129 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)OCc2cc(=O)oc3cc(C)ccc23)C1(C)C ZINC000011263115 211210873 /nfs/dbraw/zinc/21/08/73/211210873.db2.gz QBTYTGNUKYWESL-VQIMIIECSA-N 0 0 340.419 4.383 50 0 EIAARN Cc1oc(-c2ccccc2)nc1COC(=O)/C=C/c1ccsc1 ZINC000011283994 211210910 /nfs/dbraw/zinc/21/09/10/211210910.db2.gz AVKKAMSDBRIAAN-BQYQJAHWSA-N 0 0 325.389 4.468 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1nccs1 ZINC000011246819 211210060 /nfs/dbraw/zinc/21/00/60/211210060.db2.gz RAPGOZWSTDRWSP-UHFFFAOYSA-N 0 0 333.800 4.023 50 0 EIAARN CC(C)[C@@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000011473925 211218778 /nfs/dbraw/zinc/21/87/78/211218778.db2.gz UYKZENZPHNDGRF-MGPUTAFESA-N 0 0 342.508 4.181 50 0 EIAARN 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/nfs/dbraw/zinc/82/01/92/210820192.db2.gz XADXOYTYWLYPHV-UHFFFAOYSA-N 0 0 348.736 4.184 50 0 EIAARN Cc1ccccc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007417101 210798044 /nfs/dbraw/zinc/79/80/44/210798044.db2.gz UXRXGJQXBNGIDZ-UHFFFAOYSA-N 0 0 328.755 4.055 50 0 EIAARN C[C@H](Sc1nc2ccccc2o1)C(=O)N(C)Cc1cccc(F)c1 ZINC000007338864 210785408 /nfs/dbraw/zinc/78/54/08/210785408.db2.gz XFZQDZKIDVTXMR-LBPRGKRZSA-N 0 0 344.411 4.106 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)c1cc(F)cc(F)c1 ZINC000007304510 210779901 /nfs/dbraw/zinc/77/99/01/210779901.db2.gz ZKRUURQWWSZLQA-UHFFFAOYSA-N 0 0 326.140 4.288 50 0 EIAARN CCCc1nn(-c2ccc(C)cc2)c(CCC)c1C(=O)N1CCCC1 ZINC000006872714 210732578 /nfs/dbraw/zinc/73/25/78/210732578.db2.gz OZSLHYCZBRFIPY-UHFFFAOYSA-N 0 0 339.483 4.322 50 0 EIAARN O=c1c(SCc2cccc(Cl)c2)nccn1-c1ccccc1 ZINC000006915156 210742288 /nfs/dbraw/zinc/74/22/88/210742288.db2.gz XUZQQKQSZOIXOG-UHFFFAOYSA-N 0 0 328.824 4.178 50 0 EIAARN C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)c1ccc(F)cc1 ZINC000006821537 210722050 /nfs/dbraw/zinc/72/20/50/210722050.db2.gz XZOSPBVSCWHKFO-CQSZACIVSA-N 0 0 337.350 4.045 50 0 EIAARN CCc1c(C(=O)N2CCCCC2)c(CC(C)C)nn1-c1ccccc1 ZINC000006771353 210707079 /nfs/dbraw/zinc/70/70/79/210707079.db2.gz NPAPSDULBOGIFQ-UHFFFAOYSA-N 0 0 339.483 4.259 50 0 EIAARN O=C(Nc1cccc(-c2cscn2)c1)N[C@@H]1COC2(CCCC2)C1 ZINC000096140279 218622732 /nfs/dbraw/zinc/62/27/32/218622732.db2.gz VCFLGMFRDIMMFX-HNNXBMFYSA-N 0 0 343.452 4.033 50 0 EIAARN C[C@H]1CCC[C@H](C)N1c1nnc(NC(=O)Nc2ccc(F)cc2)s1 ZINC000006750561 210701822 /nfs/dbraw/zinc/70/18/22/210701822.db2.gz JXBGYTRTXWPAPJ-QWRGUYRKSA-N 0 0 349.435 4.089 50 0 EIAARN O=C(/C=C\c1ccc(F)cc1)NCc1csc(-c2ccccc2)n1 ZINC000096129624 218615922 /nfs/dbraw/zinc/61/59/22/218615922.db2.gz HAEUPZDLYOUQMG-FLIBITNWSA-N 0 0 338.407 4.279 50 0 EIAARN CCOC(=O)/C=C\c1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000096130079 218616067 /nfs/dbraw/zinc/61/60/67/218616067.db2.gz SOKQEOUJCPWSNJ-QKXCFHHRSA-N 0 0 338.407 4.146 50 0 EIAARN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c2ccccc12 ZINC000006703621 210686856 /nfs/dbraw/zinc/68/68/56/210686856.db2.gz XIQNORWJSCPRKQ-UHFFFAOYSA-N 0 0 333.174 4.296 50 0 EIAARN COc1ccccc1C(=O)N(Cc1ccco1)Cc1ccccc1F ZINC000006747620 210699157 /nfs/dbraw/zinc/69/91/57/210699157.db2.gz ORSZCNRFVFTNNO-UHFFFAOYSA-N 0 0 339.366 4.270 50 0 EIAARN CC(C)Oc1ccc(C2(c3nc([C@H]4CCOC4)no3)CCCC2)cc1 ZINC000096153220 218629340 /nfs/dbraw/zinc/62/93/40/218629340.db2.gz QBKPZWAURUXRHF-HNNXBMFYSA-N 0 0 342.439 4.221 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccccc1F ZINC000006730567 210694669 /nfs/dbraw/zinc/69/46/69/210694669.db2.gz JTUBPKUBNVOAOT-UHFFFAOYSA-N 0 0 341.386 4.096 50 0 EIAARN Brc1ccc(OCc2nc(-c3cccs3)no2)cc1 ZINC000006728984 210692697 /nfs/dbraw/zinc/69/26/97/210692697.db2.gz ISJOHUDMZYWVPE-UHFFFAOYSA-N 0 0 337.198 4.140 50 0 EIAARN COc1ccc(-c2noc(CCSCc3ccccc3)n2)cc1 ZINC000006697089 210681043 /nfs/dbraw/zinc/68/10/43/210681043.db2.gz XEVUUTUMISSOHQ-UHFFFAOYSA-N 0 0 326.421 4.221 50 0 EIAARN O=C(NCc1cccnc1)c1ccc(Oc2ccccc2Cl)o1 ZINC000096183866 218646542 /nfs/dbraw/zinc/64/65/42/218646542.db2.gz YZURKYACJSAERX-UHFFFAOYSA-N 0 0 328.755 4.050 50 0 EIAARN CCCc1sc(C(=O)N2CCCCCC2)cc1Br ZINC000006636436 210666958 /nfs/dbraw/zinc/66/69/58/210666958.db2.gz DXJXNJWJQBVHHS-UHFFFAOYSA-N 0 0 330.291 4.479 50 0 EIAARN C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000006626206 210666070 /nfs/dbraw/zinc/66/60/70/210666070.db2.gz KFMQCNWQRVWJMP-VIFPVBQESA-N 0 0 348.226 4.172 50 0 EIAARN Cc1nc2sc(C(=O)N3[C@H](C)CCC[C@H]3C)c(N)c2c(C)c1C ZINC000006659480 210673353 /nfs/dbraw/zinc/67/33/53/210673353.db2.gz BMZKYRZDWXTOPE-NXEZZACHSA-N 0 0 331.485 4.207 50 0 EIAARN CCc1c(C)sc2[nH]c(=S)n(-c3ccc(OC)cc3C)c(=O)c21 ZINC000006648775 210668865 /nfs/dbraw/zinc/66/88/65/210668865.db2.gz GYGBDBJRXKSCHH-UHFFFAOYSA-N 0 0 346.477 4.298 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000006610625 210662731 /nfs/dbraw/zinc/66/27/31/210662731.db2.gz TVXOJVOZNYPGDD-UHFFFAOYSA-N 0 0 332.407 4.109 50 0 EIAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2c(c1)OCCO2 ZINC000006587922 210660156 /nfs/dbraw/zinc/66/01/56/210660156.db2.gz IOBLKBPPXSLLKJ-UHFFFAOYSA-N 0 0 345.826 4.488 50 0 EIAARN Cc1cc(C)n2nc(S[C@H](C)c3nc4ccccc4s3)nc2n1 ZINC000006589759 210659580 /nfs/dbraw/zinc/65/95/80/210659580.db2.gz UKEVWSDOXZPGFV-LLVKDONJSA-N 0 0 341.465 4.204 50 0 EIAARN Cc1c(C(=O)NC2CCCC2)sc2nc(-c3ccccc3)cn12 ZINC000006309227 210615820 /nfs/dbraw/zinc/61/58/20/210615820.db2.gz NXICVPBXFJILAL-UHFFFAOYSA-N 0 0 325.437 4.044 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000006215046 210600941 /nfs/dbraw/zinc/60/09/41/210600941.db2.gz ATVKKVDUMSXPLG-UHFFFAOYSA-N 0 0 328.437 4.228 50 0 EIAARN CC(C)Sc1nc2sc3c(c2c2n[nH]c(=S)n21)CCCC3 ZINC000006256558 210608072 /nfs/dbraw/zinc/60/80/72/210608072.db2.gz DPBICLBZMGHCFJ-UHFFFAOYSA-N 0 0 336.511 4.007 50 0 EIAARN Fc1ccccc1OCCSc1ncnc2sc3c(c21)CCC3 ZINC000006112450 210590669 /nfs/dbraw/zinc/59/06/69/210590669.db2.gz DQIUDBINICLXAM-UHFFFAOYSA-N 0 0 346.452 4.490 50 0 EIAARN O=C1c2ccccc2[C@H]2C[C@H](Oc3ccccc3)N1N2c1ccccc1 ZINC000096318812 218743527 /nfs/dbraw/zinc/74/35/27/218743527.db2.gz KCCOAQWYRISVFM-RTWAWAEBSA-N 0 0 342.398 4.414 50 0 EIAARN C[C@@H](c1ccccc1F)[S@](=O)Cc1ccc(OC(F)F)cc1 ZINC000096404387 218754129 /nfs/dbraw/zinc/75/41/29/218754129.db2.gz DPSQQLOCLPCVAT-SAHAZLINSA-N 0 0 328.355 4.437 50 0 EIAARN COC(=O)C[C@@H](C)S[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000096409803 218763579 /nfs/dbraw/zinc/76/35/79/218763579.db2.gz PUGOUUJZFISPSY-NXEZZACHSA-N 0 0 340.832 4.136 50 0 EIAARN C[S@](=O)c1cccc(NC(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000096413417 218770355 /nfs/dbraw/zinc/77/03/55/218770355.db2.gz NMSCTQDTHASPSK-UPCLLVRISA-N 0 0 346.452 4.166 50 0 EIAARN Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2ccccc2)n1 ZINC000005751486 210529725 /nfs/dbraw/zinc/52/97/25/210529725.db2.gz PDQNAXCYCAXNLS-UHFFFAOYSA-N 0 0 335.451 4.336 50 0 EIAARN COc1ccc(C=C(Cl)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000005696290 210519365 /nfs/dbraw/zinc/51/93/65/210519365.db2.gz 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/nfs/dbraw/zinc/48/90/41/210489041.db2.gz CALHYICXIQHRAG-UHFFFAOYSA-N 0 0 337.404 4.021 50 0 EIAARN COc1cccc(F)c1[C@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000096478593 218855175 /nfs/dbraw/zinc/85/51/75/218855175.db2.gz KQVKRGFXFMVTSU-OLZOCXBDSA-N 0 0 330.403 4.205 50 0 EIAARN Cc1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)n1 ZINC000005516045 210480799 /nfs/dbraw/zinc/48/07/99/210480799.db2.gz OEJDIEJSZRHTNR-UHFFFAOYSA-N 0 0 336.391 4.033 50 0 EIAARN CCn1nc(NC(=O)c2ccc(F)cc2)c2cc3cc(C)ccc3nc21 ZINC000005478466 210471797 /nfs/dbraw/zinc/47/17/97/210471797.db2.gz WNXNYDGJRRBRPY-UHFFFAOYSA-N 0 0 348.381 4.304 50 0 EIAARN O=C1OC(c2cccs2)=N/C1=C/c1ccc(N2CCCCC2)s1 ZINC000096634979 218885667 /nfs/dbraw/zinc/88/56/67/218885667.db2.gz MDSZBDNJZLFRDO-ACCUITESSA-N 0 0 344.461 4.144 50 0 EIAARN C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005454374 210466644 /nfs/dbraw/zinc/46/66/44/210466644.db2.gz XMPDUNWAASGIJX-XSVYXWTESA-N 0 0 327.468 4.175 50 0 EIAARN Cc1nc(CNC(=O)N[C@H](CC2CCC2)c2ccccc2)oc1C ZINC000096497011 218874721 /nfs/dbraw/zinc/87/47/21/218874721.db2.gz UEQDMDCXWLASHX-QGZVFWFLSA-N 0 0 327.428 4.022 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)Nc2ccccc2SC)cc1 ZINC000005443603 210464964 /nfs/dbraw/zinc/46/49/64/210464964.db2.gz SQIRNKARQZZYGP-UHFFFAOYSA-N 0 0 329.421 4.019 50 0 EIAARN COc1ccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc1F ZINC000096891368 218896322 /nfs/dbraw/zinc/89/63/22/218896322.db2.gz CTNAVDCFRGPOOX-XYOKQWHBSA-N 0 0 330.746 4.220 50 0 EIAARN COc1cccc(C(=O)Nc2nc3c(cccc3SC)s2)c1 ZINC000005299220 210435836 /nfs/dbraw/zinc/43/58/36/210435836.db2.gz QJKLOECCLPUWGJ-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)ON1C ZINC000005211493 210415922 /nfs/dbraw/zinc/41/59/22/210415922.db2.gz LJAMJJBEGUHOSV-DYVFJYSZSA-N 0 0 345.830 4.138 50 0 EIAARN CCn1c(C(=O)NCc2ccccc2F)cc2oc3ccccc3c21 ZINC000005135188 210398001 /nfs/dbraw/zinc/39/80/01/210398001.db2.gz AHFNXFXMGPHUGL-UHFFFAOYSA-N 0 0 336.366 4.477 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccccc1F ZINC000005118067 210393448 /nfs/dbraw/zinc/39/34/48/210393448.db2.gz QIXIHJIKPDFDQT-GFCCVEGCSA-N 0 0 325.339 4.044 50 0 EIAARN Cc1cc(COC(=O)c2ccc3noc(-c4ccccc4)c3c2)no1 ZINC000005108849 210391396 /nfs/dbraw/zinc/39/13/96/210391396.db2.gz CDLLWMVSJKVOET-UHFFFAOYSA-N 0 0 334.331 4.148 50 0 EIAARN Cc1cc2oc(=O)cc(COC(=O)c3ccc(Cl)cc3)c2cc1C ZINC000005077437 210385546 /nfs/dbraw/zinc/38/55/46/210385546.db2.gz JDKUYLCCQDSNQW-UHFFFAOYSA-N 0 0 342.778 4.420 50 0 EIAARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)c1C ZINC000005050621 210375471 /nfs/dbraw/zinc/37/54/71/210375471.db2.gz PHHSCGWMJKNFNO-UHFFFAOYSA-N 0 0 348.446 4.334 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(C)s1 ZINC000005054254 210376984 /nfs/dbraw/zinc/37/69/84/210376984.db2.gz UVRYWZFXRRKIKS-QWRGUYRKSA-N 0 0 335.498 4.479 50 0 EIAARN Cc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)no1 ZINC000005032290 210368797 /nfs/dbraw/zinc/36/87/97/210368797.db2.gz FNJPUQNGUZDHOQ-UHFFFAOYSA-N 0 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ZVJSWXFCMJIVFF-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN COc1ccc([C@@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 ZINC000000032432 208551975 /nfs/dbraw/zinc/55/19/75/208551975.db2.gz OPOFGSVKVBXFMJ-INIZCTEOSA-N 0 0 342.445 4.084 50 0 EIAARN CCCN1Cc2cccc(C(=O)Nc3cc(Cl)ccc3C)c2C1=O ZINC000004960914 210340967 /nfs/dbraw/zinc/34/09/67/210340967.db2.gz MNJRFPXJGMWSRM-UHFFFAOYSA-N 0 0 342.826 4.267 50 0 EIAARN COc1cccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 ZINC000004955910 210339630 /nfs/dbraw/zinc/33/96/30/210339630.db2.gz QMVSIWSXZWDYER-LSDHHAIUSA-N 0 0 336.218 4.221 50 0 EIAARN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(Cl)c1 ZINC000004950183 210337519 /nfs/dbraw/zinc/33/75/19/210337519.db2.gz MEPPDHWRDRUXKL-UHFFFAOYSA-N 0 0 348.793 4.302 50 0 EIAARN CC[C@H](Oc1ccccc1)c1nn2c(nnc2-c2ccoc2C)s1 ZINC000004939100 210330171 /nfs/dbraw/zinc/33/01/71/210330171.db2.gz GRNLCEBENBSDHQ-AWEZNQCLSA-N 0 0 340.408 4.284 50 0 EIAARN Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccc(O)cc3)c12 ZINC000004934809 210328595 /nfs/dbraw/zinc/32/85/95/210328595.db2.gz APNRBSTZJDYEKO-UHFFFAOYSA-N 0 0 334.379 4.139 50 0 EIAARN O=C(NCCc1ccc(Cl)cc1)c1ccccc1Br ZINC000000036026 208554306 /nfs/dbraw/zinc/55/43/06/208554306.db2.gz ZZZVEHTVEKXMDB-UHFFFAOYSA-N 0 0 338.632 4.075 50 0 EIAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)c1 ZINC000004926625 210326169 /nfs/dbraw/zinc/32/61/69/210326169.db2.gz PIXYJPKBEYFXCK-UHFFFAOYSA-N 0 0 339.420 4.084 50 0 EIAARN Cc1cc2cc(CNC(=S)Nc3ccc(F)cc3)ccc2n1C ZINC000004925095 210325848 /nfs/dbraw/zinc/32/58/48/210325848.db2.gz FUTBYEOTLSWLTK-UHFFFAOYSA-N 0 0 327.428 4.112 50 0 EIAARN COC(=O)c1ccccc1NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000000042750 208555694 /nfs/dbraw/zinc/55/56/94/208555694.db2.gz HFQAPTUIFKOBRP-GXFFZTMASA-N 0 0 342.222 4.003 50 0 EIAARN CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccs1 ZINC000004943560 210334565 /nfs/dbraw/zinc/33/45/65/210334565.db2.gz CNNOBDMFDVIFAW-UHFFFAOYSA-N 0 0 341.436 4.239 50 0 EIAARN Cc1ccc(Cn2cccc(C(=O)Nc3ccc(C)cc3C)c2=O)cc1 ZINC000004940402 210331600 /nfs/dbraw/zinc/33/16/00/210331600.db2.gz YCHBMWDHTFGPBL-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN Cc1cc(C)cc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)c1 ZINC000004917696 210322478 /nfs/dbraw/zinc/32/24/78/210322478.db2.gz DWZZATVQCWJQAJ-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN O=C1c2ccccc2[C@@H](Nc2ccc(F)cc2F)N1c1ccccn1 ZINC000004915992 210322569 /nfs/dbraw/zinc/32/25/69/210322569.db2.gz VNLYLDOUQNAXSP-SFHVURJKSA-N 0 0 337.329 4.131 50 0 EIAARN CCOc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccccn2)cc1 ZINC000004915764 210322286 /nfs/dbraw/zinc/32/22/86/210322286.db2.gz IQLOXTYATMDRNA-FQEVSTJZSA-N 0 0 345.402 4.251 50 0 EIAARN CCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccc(C)c2)N1 ZINC000004903163 210317778 /nfs/dbraw/zinc/31/77/78/210317778.db2.gz TYDSLBPWXLEJAC-INIZCTEOSA-N 0 0 342.361 4.028 50 0 EIAARN c1nc(COc2cccc(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)c2)cs1 ZINC000097232283 219001094 /nfs/dbraw/zinc/00/10/94/219001094.db2.gz CREWLHZUAQZBJT-KSZLIROESA-N 0 0 342.464 4.092 50 0 EIAARN Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000097235212 219002142 /nfs/dbraw/zinc/00/21/42/219002142.db2.gz MQVQTGGVIIHBNQ-HNNXBMFYSA-N 0 0 332.469 4.055 50 0 EIAARN CC1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=S)N2 ZINC000004891053 210312790 /nfs/dbraw/zinc/31/27/90/210312790.db2.gz SJKTXPSRMIXATC-UHFFFAOYSA-N 0 0 337.286 4.075 50 0 EIAARN Cc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1F ZINC000004885513 210311614 /nfs/dbraw/zinc/31/16/14/210311614.db2.gz JUAXMETZBFTMNI-UHFFFAOYSA-N 0 0 327.750 4.122 50 0 EIAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2cccs2)c1 ZINC000004854574 210302487 /nfs/dbraw/zinc/30/24/87/210302487.db2.gz ABDYGHOVGSYLMM-SFHVURJKSA-N 0 0 337.448 4.495 50 0 EIAARN COc1ccccc1/C(C)=C\C(=O)N(C)Cc1ccc(F)cc1F ZINC000097298173 219010470 /nfs/dbraw/zinc/01/04/70/219010470.db2.gz HRDCYWWGARAREX-RAXLEYEMSA-N 0 0 331.362 4.035 50 0 EIAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)Cc1ccccc1 ZINC000004850616 210299191 /nfs/dbraw/zinc/29/91/91/210299191.db2.gz HTCOFBWCALGNNX-UHFFFAOYSA-N 0 0 334.375 4.022 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349.799 4.022 50 0 EIAARN Cc1cc(C)cc(NC(=O)COC(=O)c2cccc3ccccc32)c1 ZINC000004836681 210293262 /nfs/dbraw/zinc/29/32/62/210293262.db2.gz KBWKCMZWDUCLHF-UHFFFAOYSA-N 0 0 333.387 4.252 50 0 EIAARN O=C(/C=C/c1ccccc1)n1cnnc1SC/C=C/c1ccccc1 ZINC000004837562 210293334 /nfs/dbraw/zinc/29/33/34/210293334.db2.gz MYVJOINBZKGSRB-MZXMXVKLSA-N 0 0 347.443 4.437 50 0 EIAARN CCSc1ccccc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000004834742 210292233 /nfs/dbraw/zinc/29/22/33/210292233.db2.gz YSBRMONEYKDQHH-UHFFFAOYSA-N 0 0 347.436 4.077 50 0 EIAARN CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1 ZINC000004833557 210291538 /nfs/dbraw/zinc/29/15/38/210291538.db2.gz OTFCWUPHOPBYLR-UHFFFAOYSA-N 0 0 341.476 4.436 50 0 EIAARN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000004834365 210291559 /nfs/dbraw/zinc/29/15/59/210291559.db2.gz KLOMBRLHPDMKLW-ZDUSSCGKSA-N 0 0 348.240 4.472 50 0 EIAARN Cc1ccc2oc(-c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)nc2c1 ZINC000004826060 210289796 /nfs/dbraw/zinc/28/97/96/210289796.db2.gz AMDOZETXHDUAEZ-UHFFFAOYSA-N 0 0 334.375 4.055 50 0 EIAARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nc(C)cs2)cc1 ZINC000004815832 210286702 /nfs/dbraw/zinc/28/67/02/210286702.db2.gz MEIOKIDEFLNFNP-UHFFFAOYSA-N 0 0 331.441 4.079 50 0 EIAARN CCCCSc1ccc(NC(=O)CSc2nccn2C)cc1 ZINC000004810556 210282867 /nfs/dbraw/zinc/28/28/67/210282867.db2.gz ZAJMGRBLPSTTJK-UHFFFAOYSA-N 0 0 335.498 4.043 50 0 EIAARN CCCOc1cc(C)c(S(=O)(=O)Nc2ccccc2CC)cc1C ZINC000004809187 210281225 /nfs/dbraw/zinc/28/12/25/210281225.db2.gz ADXONNPXYKAGKS-UHFFFAOYSA-N 0 0 347.480 4.455 50 0 EIAARN Cc1cc2cc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)ccc2o1 ZINC000097532684 219034418 /nfs/dbraw/zinc/03/44/18/219034418.db2.gz PLTOTEMQWJKBFN-UHFFFAOYSA-N 0 0 339.439 4.408 50 0 EIAARN COc1ccc(-c2onc3ccc(Br)cc32)cc1OC ZINC000004776154 210275099 /nfs/dbraw/zinc/27/50/99/210275099.db2.gz KDLHHJXLUVHSEE-UHFFFAOYSA-N 0 0 334.169 4.275 50 0 EIAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000004750235 210270901 /nfs/dbraw/zinc/27/09/01/210270901.db2.gz PZBLNBGWYYJAHM-UHFFFAOYSA-N 0 0 331.371 4.377 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000004749479 210268507 /nfs/dbraw/zinc/26/85/07/210268507.db2.gz IIMRXRQCTWQUPA-UHFFFAOYSA-N 0 0 342.826 4.218 50 0 EIAARN CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCC3)cc1 ZINC000004769680 210274505 /nfs/dbraw/zinc/27/45/05/210274505.db2.gz RRNOQPUVCPIIEM-UHFFFAOYSA-N 0 0 333.478 4.088 50 0 EIAARN CCOC(=O)c1ccc(NCc2ccc(Br)cc2)cc1 ZINC000004759752 210272898 /nfs/dbraw/zinc/27/28/98/210272898.db2.gz IDAJVDGUSVDZEB-UHFFFAOYSA-N 0 0 334.213 4.238 50 0 EIAARN CCc1cccc2c(C(C)=O)cn(CC(=O)Nc3ccc(C)cc3)c21 ZINC000004759455 210272555 /nfs/dbraw/zinc/27/25/55/210272555.db2.gz NVQBBXCUTZJMIU-UHFFFAOYSA-N 0 0 334.419 4.353 50 0 EIAARN c1csc([C@H]2CCCCN2Cc2c[nH]c(CC3CCCC3)n2)n1 ZINC000097594897 219037401 /nfs/dbraw/zinc/03/74/01/219037401.db2.gz ZWHGOJNUSKXGDD-MRXNPFEDSA-N 0 0 330.501 4.326 50 0 EIAARN CO[C@H](C)c1nc(COc2ccc(C(C)=O)cc2Cl)cs1 ZINC000119555955 221346665 /nfs/dbraw/zinc/34/66/65/221346665.db2.gz MVGYZTFCMIUUNQ-SNVBAGLBSA-N 0 0 325.817 4.286 50 0 EIAARN c1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccccc1 ZINC000009368767 257898505 /nfs/dbraw/zinc/89/85/05/257898505.db2.gz DADBZUPBYUUPTE-UHFFFAOYSA-N 0 0 334.404 4.215 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C ZINC000263617164 257899014 /nfs/dbraw/zinc/89/90/14/257899014.db2.gz MKCMDBUCEHRWRY-GOSISDBHSA-N 0 0 347.418 4.331 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000096415481 257834776 /nfs/dbraw/zinc/83/47/76/257834776.db2.gz SLSXEHYXQSQGKV-QZTJIDSGSA-N 0 0 327.403 4.001 50 0 EIAARN O=C1c2ccccc2C(=O)N1c1ccccc1SOC(F)(F)F ZINC000000992639 257837598 /nfs/dbraw/zinc/83/75/98/257837598.db2.gz VOMOMVKJZXMDEL-UHFFFAOYSA-N 0 0 339.294 4.031 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)c1occc1Br ZINC000177434504 257954226 /nfs/dbraw/zinc/95/42/26/257954226.db2.gz TVKJTMZUOBLMOG-ZDUSSCGKSA-N 0 0 337.217 4.051 50 0 EIAARN O=C(CCc1ccccn1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000174648546 257954812 /nfs/dbraw/zinc/95/48/12/257954812.db2.gz UQKYSFMVAKVGBF-QFIPXVFZSA-N 0 0 342.442 4.340 50 0 EIAARN CN(C(=O)c1cccc(-c2ccc(F)c(Cl)c2)c1)C1CCOCC1 ZINC000426642860 257960059 /nfs/dbraw/zinc/96/00/59/257960059.db2.gz FKRTWVSDTSNEEM-UHFFFAOYSA-N 0 0 347.817 4.397 50 0 EIAARN Cc1cnccc1-c1ccc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1 ZINC000426530371 257965088 /nfs/dbraw/zinc/96/50/88/257965088.db2.gz FJJOBGYMRGIOQU-LJQANCHMSA-N 0 0 338.451 4.088 50 0 EIAARN CCC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(CCO)cc2)cc1 ZINC000426490709 257966803 /nfs/dbraw/zinc/96/68/03/257966803.db2.gz ZXEAMJXFDVHRGY-OAQYLSRUSA-N 0 0 337.463 4.293 50 0 EIAARN Cc1cccnc1[C@@H](C)NC(=O)c1cc2cccc(Cl)c2n1C ZINC000426420504 257968448 /nfs/dbraw/zinc/96/84/48/257968448.db2.gz XSKXMCDOZNFCMQ-GFCCVEGCSA-N 0 0 327.815 4.026 50 0 EIAARN Cc1ccc(-c2ncco2)cc1NC(=O)NCCc1cccs1 ZINC000089318673 257972903 /nfs/dbraw/zinc/97/29/03/257972903.db2.gz GGIZYMQLFJHJPC-UHFFFAOYSA-N 0 0 327.409 4.076 50 0 EIAARN COCc1nsc(N[C@@H](C)c2sc(-c3ccccc3)nc2C)n1 ZINC000267359317 257943062 /nfs/dbraw/zinc/94/30/62/257943062.db2.gz HYAGEAMTQSGXJY-NSHDSACASA-N 0 0 346.481 4.290 50 0 EIAARN C[C@H](C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)c1cccs1 ZINC000246348339 257944147 /nfs/dbraw/zinc/94/41/47/257944147.db2.gz OXSWYCIYQMNIHA-BFHYXJOUSA-N 0 0 335.494 4.028 50 0 EIAARN O=C(CSc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000000128430 258047728 /nfs/dbraw/zinc/04/77/28/258047728.db2.gz VNTDJLRJYLFQMY-UHFFFAOYSA-N 0 0 338.787 4.225 50 0 EIAARN O=C([O-])c1ccccc1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000328587811 258045281 /nfs/dbraw/zinc/04/52/81/258045281.db2.gz IJUOHYSBKOHCEP-UHFFFAOYSA-N 0 0 346.430 4.313 50 0 EIAARN CN1C=C(C(=O)N2CCCCC2)C=C/C1=C/C=C1/C=Nc2ccccc21 ZINC000334159017 258004698 /nfs/dbraw/zinc/00/46/98/258004698.db2.gz RBGGXWZHTJIADV-ORFKAXFXSA-N 0 0 345.446 4.068 50 0 EIAARN CC(C)c1nn(C)cc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000280867468 258014096 /nfs/dbraw/zinc/01/40/96/258014096.db2.gz 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4.192 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000000617533 563359494 /nfs/dbraw/zinc/35/94/94/563359494.db2.gz LBEAVPKMIUYSRK-FQEVSTJZSA-N 0 0 346.430 4.472 50 0 EIAARN CC(=O)Oc1ccccc1C(=O)OCc1c(Cl)cccc1Cl ZINC000000618227 563359929 /nfs/dbraw/zinc/35/99/29/563359929.db2.gz SDJKLKZIHSIPCE-UHFFFAOYSA-N 0 0 339.174 4.276 50 0 EIAARN O=C(Nc1ccccc1-c1ccccc1)[C@H]1COc2ccccc2O1 ZINC000000800468 563363813 /nfs/dbraw/zinc/36/38/13/563363813.db2.gz WOEPEUPWXFJIHW-HXUWFJFHSA-N 0 0 331.371 4.132 50 0 EIAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)CC(C)C ZINC000000858745 563364809 /nfs/dbraw/zinc/36/48/09/563364809.db2.gz HLBPQCZXWKETJQ-UHFFFAOYSA-N 0 0 342.830 4.367 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1Cl ZINC000000858560 563364924 /nfs/dbraw/zinc/36/49/24/563364924.db2.gz HXWNABQLGSSQMH-UHFFFAOYSA-N 0 0 330.815 4.201 50 0 EIAARN COc1ccc2oc(=O)c(C(=O)Nc3cccc4ccccc43)cc2c1 ZINC000000859410 563365230 /nfs/dbraw/zinc/36/52/30/563365230.db2.gz QOWRVGPGWKIYKN-UHFFFAOYSA-N 0 0 345.354 4.207 50 0 EIAARN O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000000917739 563365958 /nfs/dbraw/zinc/36/59/58/563365958.db2.gz HUQQLZHUXJNKMR-UHFFFAOYSA-N 0 0 336.416 4.182 50 0 EIAARN CCOC(=O)c1cnc(SC)nc1Sc1cccc(Cl)c1 ZINC000000984112 563367021 /nfs/dbraw/zinc/36/70/21/563367021.db2.gz KTPODDYRDWVLFC-UHFFFAOYSA-N 0 0 340.857 4.180 50 0 EIAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 ZINC000000978103 563367073 /nfs/dbraw/zinc/36/70/73/563367073.db2.gz LKOBDBGCQQSYIZ-PZJWPPBQSA-N 0 0 327.387 4.324 50 0 EIAARN NC(=O)c1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000001002518 563367785 /nfs/dbraw/zinc/36/77/85/563367785.db2.gz WIDZWRQHIAXPML-UHFFFAOYSA-N 0 0 348.786 4.045 50 0 EIAARN O=C(NCc1ccc(-c2cccs2)cc1)c1cnc2ccccc2n1 ZINC000001025906 563369408 /nfs/dbraw/zinc/36/94/08/563369408.db2.gz DZCADGLQAXYSNA-UHFFFAOYSA-N 0 0 345.427 4.288 50 0 EIAARN CCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)N1CCCCC1 ZINC000001055187 563370857 /nfs/dbraw/zinc/37/08/57/563370857.db2.gz DBIAHYROHIOCPR-UHFFFAOYSA-N 0 0 346.452 4.090 50 0 EIAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccco1 ZINC000001055015 563370882 /nfs/dbraw/zinc/37/08/82/563370882.db2.gz UACPNLBKMFVBIT-UHFFFAOYSA-N 0 0 327.361 4.047 50 0 EIAARN COc1ccccc1O[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000001056988 563371571 /nfs/dbraw/zinc/37/15/71/563371571.db2.gz DRVLCSQYSVKLOC-GFCCVEGCSA-N 0 0 342.420 4.019 50 0 EIAARN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2CO1 ZINC000001063583 563372116 /nfs/dbraw/zinc/37/21/16/563372116.db2.gz PIACQVUHEZGCDQ-JLCFBVMHSA-N 0 0 348.446 4.423 50 0 EIAARN O=C1OCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000001111204 563375217 /nfs/dbraw/zinc/37/52/17/563375217.db2.gz RTWXQWVWRRRBND-OAHLLOKOSA-N 0 0 337.400 4.416 50 0 EIAARN Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(C)cc3C)C2=O)c1 ZINC000001232460 563380587 /nfs/dbraw/zinc/38/05/87/563380587.db2.gz XEEOMZRAXDQLRZ-MRXNPFEDSA-N 0 0 326.421 4.250 50 0 EIAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)Nc1ccccc1F ZINC000001250909 563381678 /nfs/dbraw/zinc/38/16/78/563381678.db2.gz NZXHZLHVFJTBHF-UHFFFAOYSA-N 0 0 332.335 4.127 50 0 EIAARN Cc1ccccc1-c1nnc(NC(=O)Nc2ccc(F)cc2)s1 ZINC000001251209 563381708 /nfs/dbraw/zinc/38/17/08/563381708.db2.gz NAMYRLJWTLAVDO-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN COC(=O)c1sccc1Oc1ncc(-c2ccc(Cl)cc2)cn1 ZINC000001383866 563385037 /nfs/dbraw/zinc/38/50/37/563385037.db2.gz RTDIICAKVUAMMG-UHFFFAOYSA-N 0 0 346.795 4.437 50 0 EIAARN C[C@H](NC(=O)N(C)Cc1ccco1)c1nc(-c2ccccc2)cs1 ZINC000071885980 563385324 /nfs/dbraw/zinc/38/53/24/563385324.db2.gz UBADOVFQUCSBKD-ZDUSSCGKSA-N 0 0 341.436 4.306 50 0 EIAARN CC[C@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)c1ccccc1 ZINC000001456543 563389865 /nfs/dbraw/zinc/38/98/65/563389865.db2.gz CVBBTBMWVMHGNS-FQEVSTJZSA-N 0 0 336.479 4.146 50 0 EIAARN O=C(OCc1ccccc1)c1ccccc1C(=O)OCc1ccccc1 ZINC000001470694 563390524 /nfs/dbraw/zinc/39/05/24/563390524.db2.gz UCVPKAZCQPRWAY-UHFFFAOYSA-N 0 0 346.382 4.401 50 0 EIAARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000001660122 563399956 /nfs/dbraw/zinc/39/99/56/563399956.db2.gz NWHZCAHINMSRQA-ZCQKWSGTSA-N 0 0 327.383 4.135 50 0 EIAARN O=C(CC[C@H]1CCCO1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000071888328 563400322 /nfs/dbraw/zinc/40/03/22/563400322.db2.gz WEWKFYZOBUMLEA-VQIMIIECSA-N 0 0 326.440 4.181 50 0 EIAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000001777956 563411211 /nfs/dbraw/zinc/41/12/11/563411211.db2.gz PSDBBQBSZNVYNI-KPKJPENVSA-N 0 0 341.407 4.145 50 0 EIAARN Clc1ccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)cc1 ZINC000071889758 563417269 /nfs/dbraw/zinc/41/72/69/563417269.db2.gz WJLNHOHNBPJODZ-UHFFFAOYSA-N 0 0 340.810 4.487 50 0 EIAARN CC[C@@H](NC(=O)N(Cc1ccsc1)C1CCCC1)c1nc(C)c[nH]1 ZINC000584902363 563417619 /nfs/dbraw/zinc/41/76/19/563417619.db2.gz JLABQKRLUWSTLO-MRXNPFEDSA-N 0 0 346.500 4.385 50 0 EIAARN O=C([O-])CCCCCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000002001740 563417952 /nfs/dbraw/zinc/41/79/52/563417952.db2.gz ONNOFKFOZAJDHT-UHFFFAOYSA-N 0 0 337.463 4.499 50 0 world EIAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccncc1 ZINC000002058285 563420361 /nfs/dbraw/zinc/42/03/61/563420361.db2.gz PMDAFSWMNJQAIE-UHFFFAOYSA-N 0 0 325.195 4.186 50 0 EIAARN CCCCCOc1cccc(OCC(=O)Nc2cccc(OC)c2)c1 ZINC000002082494 563422023 /nfs/dbraw/zinc/42/20/23/563422023.db2.gz UMNLHYKFCQOZLX-UHFFFAOYSA-N 0 0 343.423 4.282 50 0 EIAARN CCCOC(=O)c1c(N)scc1-c1ccc(Br)cc1 ZINC000002088211 563422424 /nfs/dbraw/zinc/42/24/24/563422424.db2.gz GKEDOMVAFMPVOE-UHFFFAOYSA-N 0 0 340.242 4.327 50 0 EIAARN CC(C)Oc1cc(C(F)(F)F)nc2ccc(CSCCO)cc21 ZINC000002157091 563424426 /nfs/dbraw/zinc/42/44/26/563424426.db2.gz BLGBNKRFXWGTKQ-UHFFFAOYSA-N 0 0 345.386 4.266 50 0 EIAARN CC[C@H](C(=O)NCCc1c[nH]c2cc(OC)ccc12)c1ccccc1 ZINC000002161199 563424785 /nfs/dbraw/zinc/42/47/85/563424785.db2.gz GGNAKHXMYIEERM-SFHVURJKSA-N 0 0 336.435 4.029 50 0 biogenic EIAARN CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)C2=O ZINC000002212605 563427004 /nfs/dbraw/zinc/42/70/04/563427004.db2.gz APSDNHILMKVJBP-JOCHJYFZSA-N 0 0 333.431 4.267 50 0 EIAARN CCCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000002299965 563428764 /nfs/dbraw/zinc/42/87/64/563428764.db2.gz FJFQGKQAKORBLM-INIZCTEOSA-N 0 0 341.451 4.235 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1 ZINC000002481909 563433461 /nfs/dbraw/zinc/43/34/61/563433461.db2.gz FWYSCQIJGIRKDH-UHFFFAOYSA-N 0 0 326.783 4.233 50 0 EIAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc1 ZINC000002492916 563434146 /nfs/dbraw/zinc/43/41/46/563434146.db2.gz SPSVLKFEDWDEHI-APPDUMDISA-N 0 0 342.464 4.126 50 0 EIAARN O=C(CCSc1ccc2ccccc2n1)Nc1ccc(F)cc1 ZINC000002502419 563434645 /nfs/dbraw/zinc/43/46/45/563434645.db2.gz KKSOEURMPJEPTR-UHFFFAOYSA-N 0 0 326.396 4.495 50 0 EIAARN O=C(c1cccc(CN2CCC2)c1)c1ccc(Br)c(F)c1 ZINC000002515127 563436407 /nfs/dbraw/zinc/43/64/07/563436407.db2.gz INPQEDYXWPSYGQ-UHFFFAOYSA-N 0 0 348.215 4.025 50 0 EIAARN CC1(C)COC(CCCC(=O)c2ccc(Br)cc2)OC1 ZINC000002518043 563437991 /nfs/dbraw/zinc/43/79/91/563437991.db2.gz NOADXQSDQOHWIA-UHFFFAOYSA-N 0 0 341.245 4.201 50 0 EIAARN CCOC(=O)CCCCCC(=O)c1ccc(C)c(Br)c1 ZINC000002518023 563438002 /nfs/dbraw/zinc/43/80/02/563438002.db2.gz QEXXJTDLURGZDB-UHFFFAOYSA-N 0 0 341.245 4.454 50 0 EIAARN Nc1cc(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1 ZINC000002532574 563439884 /nfs/dbraw/zinc/43/98/84/563439884.db2.gz MAZWWXVKFBZQHK-UHFFFAOYSA-N 0 0 332.176 4.023 50 0 EIAARN CCCc1ccc(OCC2N=NC(=S)N2c2ccccc2)cc1 ZINC000002544681 563440252 /nfs/dbraw/zinc/44/02/52/563440252.db2.gz MMBHZDYLMFRAMN-UHFFFAOYSA-N 0 0 325.437 4.088 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 ZINC000002734290 563447307 /nfs/dbraw/zinc/44/73/07/563447307.db2.gz ONVITAMSQVADEJ-QHHAFSJGSA-N 0 0 336.174 4.374 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000002763296 563449715 /nfs/dbraw/zinc/44/97/15/563449715.db2.gz KNFBXDRIDWCTRT-UHFFFAOYSA-N 0 0 336.178 4.084 50 0 EIAARN Cc1ccccc1CSCCNC(=O)COc1ccc(Cl)cc1 ZINC000002817363 563452648 /nfs/dbraw/zinc/45/26/48/563452648.db2.gz PHKWJEUMCZKSDT-UHFFFAOYSA-N 0 0 349.883 4.077 50 0 EIAARN CCCCC(=O)Nc1cccc(NC(=O)c2cccc(OCC)c2)c1 ZINC000002830347 563453281 /nfs/dbraw/zinc/45/32/81/563453281.db2.gz RLYUSBHJTUTDEG-UHFFFAOYSA-N 0 0 340.423 4.466 50 0 EIAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)N(C)c2ccccc2)c1C ZINC000002841395 563454590 /nfs/dbraw/zinc/45/45/90/563454590.db2.gz NFHPOZHZKMILMK-UHFFFAOYSA-N 0 0 331.481 4.426 50 0 EIAARN CCCc1ccc(OCCNC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000002839868 563454654 /nfs/dbraw/zinc/45/46/54/563454654.db2.gz BWOBLLOAZSWPJY-UHFFFAOYSA-N 0 0 331.843 4.410 50 0 EIAARN CCc1cc2c(ncnc2SCC(=O)Nc2cccc(C)c2)s1 ZINC000002846770 563455329 /nfs/dbraw/zinc/45/53/29/563455329.db2.gz RSOQFPFJXZMREB-UHFFFAOYSA-N 0 0 343.477 4.293 50 0 EIAARN CCOC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000002846119 563455394 /nfs/dbraw/zinc/45/53/94/563455394.db2.gz FTDORVDVHVJVAU-UHFFFAOYSA-N 0 0 334.828 4.326 50 0 EIAARN Cc1cc(C)c(OCCCCn2cnc3ccccc3c2=O)c(C)c1 ZINC000002863212 563457686 /nfs/dbraw/zinc/45/76/86/563457686.db2.gz KQCZXYHWTUJZPY-UHFFFAOYSA-N 0 0 336.435 4.181 50 0 EIAARN CCCn1cc([C@H]2CC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 ZINC000002884725 563461450 /nfs/dbraw/zinc/46/14/50/563461450.db2.gz SKXUDWGRSSYDLH-GOSISDBHSA-N 0 0 346.430 4.407 50 0 EIAARN CCCCSc1nnc2c(n1)O[C@](C)(CC)Nc1ccccc1-2 ZINC000002915264 563463475 /nfs/dbraw/zinc/46/34/75/563463475.db2.gz ZUCQTPFECGHHOP-QGZVFWFLSA-N 0 0 330.457 4.361 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000002968524 563465098 /nfs/dbraw/zinc/46/50/98/563465098.db2.gz LXGKWTPKXYUJPE-UHFFFAOYSA-N 0 0 330.815 4.260 50 0 EIAARN CC(C)(C)C(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002967772 563465099 /nfs/dbraw/zinc/46/50/99/563465099.db2.gz JVFQIYNBJNYETC-UHFFFAOYSA-N 0 0 336.387 4.454 50 0 EIAARN COc1cc(C=O)ccc1OCCCCOc1cc(C)ccc1C ZINC000002985676 563466869 /nfs/dbraw/zinc/46/68/69/563466869.db2.gz LHMICWHQXGTDIS-UHFFFAOYSA-N 0 0 328.408 4.363 50 0 EIAARN CCCOc1cccc(C(=O)Nc2ccc(NC(=O)CC)cc2)c1 ZINC000003002628 563469554 /nfs/dbraw/zinc/46/95/54/563469554.db2.gz ICWNXWAJJJAODZ-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN CCCCc1ccc(NC(=O)C(=S)NCc2ccccc2)c(C)c1 ZINC000003078909 563471352 /nfs/dbraw/zinc/47/13/52/563471352.db2.gz GGESSQPEBKQERG-UHFFFAOYSA-N 0 0 340.492 4.393 50 0 EIAARN Cc1[nH]nc(CCc2ccccc2)c1NC(=O)c1c(F)cccc1F ZINC000034795314 563479917 /nfs/dbraw/zinc/47/99/17/563479917.db2.gz BBOKIEIPDMDSJA-UHFFFAOYSA-N 0 0 341.361 4.034 50 0 EIAARN COc1ccccc1C(=O)Nc1c(C)[nH]nc1-c1cccc(Cl)c1 ZINC000034796801 563481186 /nfs/dbraw/zinc/48/11/86/563481186.db2.gz XRSSYPGNKVVMMC-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN Fc1ccc(OCc2noc(-c3ccccc3C(F)(F)F)n2)cc1 ZINC000034907081 563481902 /nfs/dbraw/zinc/48/19/02/563481902.db2.gz SDNKMABILCMGTI-UHFFFAOYSA-N 0 0 338.260 4.474 50 0 EIAARN CCn1nc(C(=O)Nc2ccc(C)cc2)cc1-c1cccc(OC)c1 ZINC000034901354 563483589 /nfs/dbraw/zinc/48/35/89/563483589.db2.gz RYNRPTFEDVGRJQ-UHFFFAOYSA-N 0 0 335.407 4.139 50 0 EIAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(CC)n1 ZINC000034901990 563483993 /nfs/dbraw/zinc/48/39/93/563483993.db2.gz YHRSCSZUUGCMRW-AWEZNQCLSA-N 0 0 327.472 4.396 50 0 EIAARN Cc1n[nH]c(C)c1NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000071899835 563497993 /nfs/dbraw/zinc/49/79/93/563497993.db2.gz GRCZBLRNCBQYSE-UHFFFAOYSA-N 0 0 343.333 4.349 50 0 EIAARN Cc1cccc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000004865772 563514323 /nfs/dbraw/zinc/51/43/23/563514323.db2.gz NXAIZZUATCDXGV-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2ccc(F)cc12 ZINC000004982041 563517380 /nfs/dbraw/zinc/51/73/80/563517380.db2.gz KAFFJADXEIPMNZ-UHFFFAOYSA-N 0 0 339.389 4.148 50 0 EIAARN CCCc1cc(-n2ccnc2CC)n2ncc(-c3ccccc3)c2n1 ZINC000005207631 563522995 /nfs/dbraw/zinc/52/29/95/563522995.db2.gz TXGXJTHCFYEJNA-UHFFFAOYSA-N 0 0 331.423 4.097 50 0 EIAARN COc1ccccc1Nc1ncnc2c1c(C)c(C)n2-c1cccnc1 ZINC000005348886 563527940 /nfs/dbraw/zinc/52/79/40/563527940.db2.gz IQDVGZFYOGYAIQ-UHFFFAOYSA-N 0 0 345.406 4.185 50 0 EIAARN O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1cccc(F)c1 ZINC000005703263 563546256 /nfs/dbraw/zinc/54/62/56/563546256.db2.gz BOVSXBQWPZJHAA-IUXPMGMMSA-N 0 0 325.383 4.338 50 0 EIAARN Cc1nnc([C@H](C)Nc2cccc(OCc3cccc(F)c3)c2)o1 ZINC000071902532 563555144 /nfs/dbraw/zinc/55/51/44/563555144.db2.gz PQVCLVLTYWYGLC-LBPRGKRZSA-N 0 0 327.359 4.269 50 0 EIAARN Cc1nnc([C@@H](C)Nc2ccc(OCc3ccccc3F)cc2)o1 ZINC000071902637 563555447 /nfs/dbraw/zinc/55/54/47/563555447.db2.gz LEZDWXALLCICGL-GFCCVEGCSA-N 0 0 327.359 4.269 50 0 EIAARN CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(F)cc2F)c1 ZINC000071902612 563555448 /nfs/dbraw/zinc/55/54/48/563555448.db2.gz MQQRXZKTGCRDIP-NEPJUHHUSA-N 0 0 334.366 4.111 50 0 EIAARN C[C@H](c1cccnc1)N(C)C(=O)CCCC(=O)c1ccc(Cl)cc1 ZINC000071909748 563575498 /nfs/dbraw/zinc/57/54/98/563575498.db2.gz FSLSJLAWDQOZJI-CQSZACIVSA-N 0 0 344.842 4.308 50 0 EIAARN Cc1c(C)n(-c2ccccn2)c2ncnc(NCc3ccccc3)c12 ZINC000006670146 563577422 /nfs/dbraw/zinc/57/74/22/563577422.db2.gz AEWVSIPEYOOKFO-UHFFFAOYSA-N 0 0 329.407 4.044 50 0 EIAARN Cc1cccc(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1C ZINC000006699160 563579009 /nfs/dbraw/zinc/57/90/09/563579009.db2.gz WUAJQAOLFZOREO-UHFFFAOYSA-N 0 0 337.423 4.183 50 0 EIAARN Cc1ccc(C)c(OCCCn2cnc3ccccc3c2=O)c1Cl ZINC000006701013 563579668 /nfs/dbraw/zinc/57/96/68/563579668.db2.gz JLMFLKRXUBTHIV-UHFFFAOYSA-N 0 0 342.826 4.136 50 0 EIAARN O=C(NC1CCCCC1)c1cccnc1-c1nc2ccccc2s1 ZINC000006703180 563580819 /nfs/dbraw/zinc/58/08/19/563580819.db2.gz BGPLBPCGZALBED-UHFFFAOYSA-N 0 0 337.448 4.421 50 0 EIAARN O=C(Nc1ccccn1)Nc1ccc(Br)cc1Cl ZINC000006715144 563582071 /nfs/dbraw/zinc/58/20/71/563582071.db2.gz SAZIWOGPTOUJPU-UHFFFAOYSA-N 0 0 326.581 4.142 50 0 EIAARN CCCn1c2ccccc2c2nnc(SCc3ccccn3)nc21 ZINC000006715890 563582349 /nfs/dbraw/zinc/58/23/49/563582349.db2.gz HPSRFCVKOZVDKD-UHFFFAOYSA-N 0 0 335.436 4.077 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)Nc2ccc(Br)cc2)c1 ZINC000006729052 563583498 /nfs/dbraw/zinc/58/34/98/563583498.db2.gz OELGWOCVNUFINV-UHFFFAOYSA-N 0 0 348.200 4.052 50 0 EIAARN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cccs1 ZINC000006746814 563584858 /nfs/dbraw/zinc/58/48/58/563584858.db2.gz UIABTENITYYEHG-LBPRGKRZSA-N 0 0 337.828 4.212 50 0 EIAARN Cc1ccc(OCc2nn3c(nnc3C3CCCCC3)s2)cc1 ZINC000006786207 563586429 /nfs/dbraw/zinc/58/64/29/563586429.db2.gz QIKYMFOOYVAGPC-UHFFFAOYSA-N 0 0 328.441 4.121 50 0 EIAARN Cc1cc([C@H](C)NC(=O)c2cccnc2NC2CCCC2)c(C)o1 ZINC000071911663 563588217 /nfs/dbraw/zinc/58/82/17/563588217.db2.gz UEAZACIFDWRWMK-ZDUSSCGKSA-N 0 0 327.428 4.137 50 0 EIAARN O=C(COCc1cc(-c2cccs2)on1)Nc1ccccc1Cl ZINC000006876590 563590103 /nfs/dbraw/zinc/59/01/03/563590103.db2.gz PVIFQIYSEISRLQ-UHFFFAOYSA-N 0 0 348.811 4.212 50 0 EIAARN CC(=O)[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(C)c1 ZINC000002616073 563593843 /nfs/dbraw/zinc/59/38/43/563593843.db2.gz CNKAGKCCPQCILE-SFHVURJKSA-N 0 0 329.827 4.343 50 0 EIAARN COc1cccc([C@@H](C)NC(=O)c2csc3c2CC[C@H](C)C3)c1 ZINC000002730439 563609098 /nfs/dbraw/zinc/60/90/98/563609098.db2.gz IJLMIQZTLLFXAO-QWHCGFSZSA-N 0 0 329.465 4.373 50 0 EIAARN CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000007650088 563609111 /nfs/dbraw/zinc/60/91/11/563609111.db2.gz YALNRGMQVQXBEO-UHFFFAOYSA-N 0 0 338.201 4.329 50 0 EIAARN CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1C ZINC000007720115 563611935 /nfs/dbraw/zinc/61/19/35/563611935.db2.gz WQSNURNVOBXTFS-UHFFFAOYSA-N 0 0 335.407 4.016 50 0 EIAARN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000002785984 563612783 /nfs/dbraw/zinc/61/27/83/563612783.db2.gz NMPNSWXPMITRFR-NWDGAFQWSA-N 0 0 342.187 4.317 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)c2c(Cl)c(C)nn2C)CC1 ZINC000002781917 563612794 /nfs/dbraw/zinc/61/27/94/563612794.db2.gz ZXHIFMOSJWXFQI-UHFFFAOYSA-N 0 0 325.884 4.107 50 0 EIAARN COc1cccc(NC2CCN(C(=O)c3cc(C)sc3C)CC2)c1 ZINC000071915007 563615964 /nfs/dbraw/zinc/61/59/64/563615964.db2.gz KFNDNCUJCPOBFB-UHFFFAOYSA-N 0 0 344.480 4.090 50 0 EIAARN O=C(Nc1ccc(OC(F)F)cc1)c1cc(-c2ccccc2)on1 ZINC000002794468 563616274 /nfs/dbraw/zinc/61/62/74/563616274.db2.gz GAJKZEFHLOWBPH-UHFFFAOYSA-N 0 0 330.290 4.195 50 0 EIAARN COc1cc(C(=O)Nc2ccccc2SC)ccc1OC(F)F ZINC000002796962 563616921 /nfs/dbraw/zinc/61/69/21/563616921.db2.gz SVBASRFRNXPFHW-UHFFFAOYSA-N 0 0 339.363 4.271 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)N[C@@H](C)c1ccncc1 ZINC000043449136 563618334 /nfs/dbraw/zinc/61/83/34/563618334.db2.gz JQHSTWZRPNRABK-NSHDSACASA-N 0 0 334.217 4.035 50 0 EIAARN O=C(NC(c1cccs1)c1cccs1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000071915266 563618977 /nfs/dbraw/zinc/61/89/77/563618977.db2.gz AZGHLNJRCXUBQZ-ZIAGYGMSSA-N 0 0 340.473 4.214 50 0 EIAARN CCCCc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2C)cc1 ZINC000008021982 563619301 /nfs/dbraw/zinc/61/93/01/563619301.db2.gz UKKXHPCJIYKFKW-UHFFFAOYSA-N 0 0 334.423 4.171 50 0 EIAARN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@@H]2c2cccnc2)o1 ZINC000071916075 563620803 /nfs/dbraw/zinc/62/08/03/563620803.db2.gz ZOBKBGDOCLCIIY-QRVBRYPASA-N 0 0 338.451 4.484 50 0 EIAARN COC(=O)c1ccc(NC(=S)Nc2ccc3ccccc3c2)cc1 ZINC000008670360 563634956 /nfs/dbraw/zinc/63/49/56/563634956.db2.gz MDFHIXPMFWXRPV-UHFFFAOYSA-N 0 0 336.416 4.435 50 0 aggregator EIAARN O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2ccccc12 ZINC000008716915 563637407 /nfs/dbraw/zinc/63/74/07/563637407.db2.gz UIOARAWRTQNPDH-UHFFFAOYSA-N 0 0 336.338 4.234 50 0 EIAARN CCOc1ccc2[nH]c(=NC(=O)c3cc4ccccc4o3)sc2c1 ZINC000008744534 563639205 /nfs/dbraw/zinc/63/92/05/563639205.db2.gz PWARUHCPHLCYGU-UHFFFAOYSA-N 0 0 338.388 4.115 50 0 EIAARN CCC(=O)Nc1ccc(NC(=O)COc2ccccc2C(C)C)cc1 ZINC000012138833 563654728 /nfs/dbraw/zinc/65/47/28/563654728.db2.gz MLHHGBRWROPZBS-UHFFFAOYSA-N 0 0 340.423 4.176 50 0 EIAARN Cc1cccc(SC2CCN(Cc3nc(CC4CC4)no3)CC2)c1 ZINC000012579325 563663917 /nfs/dbraw/zinc/66/39/17/563663917.db2.gz SVMXBJCQOWHJDO-UHFFFAOYSA-N 0 0 343.496 4.087 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccccc1Cl ZINC000032611700 563665595 /nfs/dbraw/zinc/66/55/95/563665595.db2.gz OSERUPMFHIHUJA-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1 ZINC000012778913 563670813 /nfs/dbraw/zinc/67/08/13/563670813.db2.gz JWOOFYBJPMCMLJ-LJQANCHMSA-N 0 0 339.435 4.422 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1C ZINC000012796241 563672670 /nfs/dbraw/zinc/67/26/70/563672670.db2.gz NFMVNKIKLNWKQH-CYBMUJFWSA-N 0 0 343.496 4.244 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 ZINC000012818306 563674841 /nfs/dbraw/zinc/67/48/41/563674841.db2.gz FLUUPZWKRQZSCP-INIZCTEOSA-N 0 0 325.408 4.114 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1 ZINC000012939654 563677849 /nfs/dbraw/zinc/67/78/49/563677849.db2.gz KTJQDDGQRWHGAH-UHFFFAOYSA-N 0 0 343.496 4.244 50 0 EIAARN O=C(OCCOc1ccccc1)c1cccnc1Oc1ccccc1 ZINC000032666166 563678327 /nfs/dbraw/zinc/67/83/27/563678327.db2.gz YXBPWEASELTNDF-UHFFFAOYSA-N 0 0 335.359 4.110 50 0 EIAARN O=C(N[C@H]1CCc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012971791 563679235 /nfs/dbraw/zinc/67/92/35/563679235.db2.gz JFDOQFIEQKBSPJ-IBGZPJMESA-N 0 0 343.430 4.167 50 0 EIAARN C[C@@H](SCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012972618 563679584 /nfs/dbraw/zinc/67/95/84/563679584.db2.gz QCKDXRUKJMUUOO-CQSZACIVSA-N 0 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/nfs/dbraw/zinc/70/02/48/563700248.db2.gz QNZNHGWSZHJTKF-LBPRGKRZSA-N 0 0 336.892 4.037 50 0 EIAARN O=C(Nc1nc2ccccc2s1)c1ccccc1Br ZINC000013549915 563701045 /nfs/dbraw/zinc/70/10/45/563701045.db2.gz KIRDIYGBKFSZHS-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN Clc1ccc(-n2nnnc2COc2cccc3ccccc32)cc1 ZINC000013629899 563704787 /nfs/dbraw/zinc/70/47/87/563704787.db2.gz BYGCXSXECIHVGW-UHFFFAOYSA-N 0 0 336.782 4.048 50 0 EIAARN Fc1ccc(-c2nnc3sc(-c4ccccc4F)nn32)cc1Cl ZINC000013691342 563712437 /nfs/dbraw/zinc/71/24/37/563712437.db2.gz RTZWEJFYJKWOEF-UHFFFAOYSA-N 0 0 348.765 4.451 50 0 EIAARN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013708461 563713188 /nfs/dbraw/zinc/71/31/88/563713188.db2.gz PEUJWPIBTMBMNP-AWEZNQCLSA-N 0 0 349.386 4.017 50 0 EIAARN CCCc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013744238 563720261 /nfs/dbraw/zinc/72/02/61/563720261.db2.gz MWQILTSFTAENKZ-UHFFFAOYSA-N 0 0 336.479 4.218 50 0 EIAARN COc1cc(OC)c(NC(=O)c2cc(C)sc2C)cc1Cl ZINC000032739195 563721072 /nfs/dbraw/zinc/72/10/72/563721072.db2.gz LFQOGFVTMRVZCK-UHFFFAOYSA-N 0 0 325.817 4.288 50 0 EIAARN CCc1ccc([C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000032741330 563721773 /nfs/dbraw/zinc/72/17/73/563721773.db2.gz NILBIJARUBNSFX-HXUWFJFHSA-N 0 0 348.446 4.218 50 0 EIAARN Cc1cccc2cc(CN(C(=O)C(C)C)c3ccccc3)c(=O)[nH]c12 ZINC000013788270 563723675 /nfs/dbraw/zinc/72/36/75/563723675.db2.gz BFVLZPVVUXUSER-UHFFFAOYSA-N 0 0 334.419 4.026 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)co1 ZINC000032752879 563724501 /nfs/dbraw/zinc/72/45/01/563724501.db2.gz HBNPRCIXSMXBIB-AWEZNQCLSA-N 0 0 336.391 4.364 50 0 EIAARN Cc1cc2occ(CC(=O)NCCCOCC3CC3)c2cc1C(C)C ZINC000032750764 563724513 /nfs/dbraw/zinc/72/45/13/563724513.db2.gz QVZYKCHAFUQHFB-UHFFFAOYSA-N 0 0 343.467 4.340 50 0 EIAARN O=S(=O)(Nc1c(F)cccc1F)c1ccccc1-c1ccccc1 ZINC000032754900 563727957 /nfs/dbraw/zinc/72/79/57/563727957.db2.gz WQPHQNUPJBLXFA-UHFFFAOYSA-N 0 0 345.370 4.433 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000032754468 563727997 /nfs/dbraw/zinc/72/79/97/563727997.db2.gz CDEZQCHRQMGNHG-ZDUSSCGKSA-N 0 0 326.371 4.203 50 0 EIAARN c1nnc(SCc2nc3ccccc3c(-c3ccccc3)n2)s1 ZINC000032754529 563728030 /nfs/dbraw/zinc/72/80/30/563728030.db2.gz KWMABIHEKHOBNY-UHFFFAOYSA-N 0 0 336.445 4.441 50 0 EIAARN COc1ccccc1OS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000032755055 563728053 /nfs/dbraw/zinc/72/80/53/563728053.db2.gz AHXZQJJORQJDIP-UHFFFAOYSA-N 0 0 340.400 4.130 50 0 EIAARN CN(Cc1nc(C2CC2)no1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000032769908 563730357 /nfs/dbraw/zinc/73/03/57/563730357.db2.gz ATAOVJDQTFMTHS-IBGZPJMESA-N 0 0 337.398 4.308 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1cccs1 ZINC000014069326 563737279 /nfs/dbraw/zinc/73/72/79/563737279.db2.gz MJPDRZGJELQGTC-GFCCVEGCSA-N 0 0 325.437 4.042 50 0 EIAARN CN(Cc1nc2ccccc2o1)Cc1ccccc1N1CCCCC1 ZINC000032806096 563740946 /nfs/dbraw/zinc/74/09/46/563740946.db2.gz MJZZXMYKYQXKQY-UHFFFAOYSA-N 0 0 335.451 4.450 50 0 EIAARN Cc1cc(C)cc(OCCN(C)Cc2coc(-c3ccccc3)n2)c1 ZINC000032806082 563740995 /nfs/dbraw/zinc/74/09/95/563740995.db2.gz GMYFUCZZASJPCY-UHFFFAOYSA-N 0 0 336.435 4.469 50 0 EIAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCc2ccccc2C1 ZINC000014115408 563742063 /nfs/dbraw/zinc/74/20/63/563742063.db2.gz UQPBCXFCGWLUGU-UHFFFAOYSA-N 0 0 347.439 4.178 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000014113683 563742088 /nfs/dbraw/zinc/74/20/88/563742088.db2.gz IMHRXUSGQVHONB-UHFFFAOYSA-N 0 0 335.432 4.255 50 0 EIAARN CC(C)[C@H](C)NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000014167480 563746317 /nfs/dbraw/zinc/74/63/17/563746317.db2.gz MQWPEDCHWUCPHQ-AWEZNQCLSA-N 0 0 335.407 4.178 50 0 EIAARN O=c1[nH]c2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc2o1 ZINC000014164105 563746403 /nfs/dbraw/zinc/74/64/03/563746403.db2.gz MFNOZAWGJWBVTB-UHFFFAOYSA-N 0 0 327.340 4.127 50 0 EIAARN CC(=O)NCc1ccc(-c2csc(-c3ccc(C)cc3C)n2)o1 ZINC000014185712 563748143 /nfs/dbraw/zinc/74/81/43/563748143.db2.gz XZITYLBCCJHLPZ-UHFFFAOYSA-N 0 0 326.421 4.323 50 0 EIAARN CCN(Cc1cccc(C)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000014185278 563748216 /nfs/dbraw/zinc/74/82/16/563748216.db2.gz JVEMJHNUKBUQKG-UHFFFAOYSA-N 0 0 341.842 4.319 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3ccsc3)n2)c(OC)c1 ZINC000014197270 563749307 /nfs/dbraw/zinc/74/93/07/563749307.db2.gz IUDHKXAZXHURJX-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN CCCOc1ccc(C(=O)NCc2ccccc2)cc1OCCC ZINC000014201509 563750605 /nfs/dbraw/zinc/75/06/05/563750605.db2.gz NXHDPLZHCFADOO-UHFFFAOYSA-N 0 0 327.424 4.194 50 0 EIAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000014225357 563751980 /nfs/dbraw/zinc/75/19/80/563751980.db2.gz NLLOEJILIGVVAS-UHFFFAOYSA-N 0 0 343.370 4.459 50 0 EIAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2ncsc2c1 ZINC000014239550 563753523 /nfs/dbraw/zinc/75/35/23/563753523.db2.gz JEEGAFUEVHYULB-UHFFFAOYSA-N 0 0 334.803 4.361 50 0 EIAARN CN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000014247222 563755108 /nfs/dbraw/zinc/75/51/08/563755108.db2.gz DAMVUFHMFNSPSC-UHFFFAOYSA-N 0 0 325.339 4.483 50 0 EIAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccccc2Cl)c1 ZINC000032820683 563757555 /nfs/dbraw/zinc/75/75/55/563757555.db2.gz GZIHNYKMMCFDAL-QGZVFWFLSA-N 0 0 345.826 4.335 50 0 EIAARN COc1ccc(NC(=O)CC(C)(C)C)cc1OCc1cccnc1 ZINC000032832179 563759226 /nfs/dbraw/zinc/75/92/26/563759226.db2.gz DPZVKPFPPMRFJK-UHFFFAOYSA-N 0 0 328.412 4.044 50 0 EIAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000014738338 563764146 /nfs/dbraw/zinc/76/41/46/563764146.db2.gz GWPAJTBSHXGWNM-AWEZNQCLSA-N 0 0 327.424 4.399 50 0 EIAARN C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1ccc(F)cc1F ZINC000032863070 563765225 /nfs/dbraw/zinc/76/52/25/563765225.db2.gz UQLJFKSVNFSFBU-NXEZZACHSA-N 0 0 340.320 4.364 50 0 EIAARN CC[C@H]1CN(Cc2cc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 ZINC000014983490 563770542 /nfs/dbraw/zinc/77/05/42/563770542.db2.gz DWBLMVMWKKKLSX-SFHVURJKSA-N 0 0 336.435 4.350 50 0 EIAARN Cc1ccccc1[C@@H](CC(=O)N(C)C1CCOCC1)c1ccccc1 ZINC000015076484 563776454 /nfs/dbraw/zinc/77/64/54/563776454.db2.gz HHBLAYJVJAOMCG-NRFANRHFSA-N 0 0 337.463 4.154 50 0 EIAARN CCc1ccc([C@H](Nc2ncnc3c2cnn3C)c2cccs2)cc1 ZINC000032888232 563779984 /nfs/dbraw/zinc/77/99/84/563779984.db2.gz YEKJBULXDJRKCE-KRWDZBQOSA-N 0 0 349.463 4.189 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000032895450 563781092 /nfs/dbraw/zinc/78/10/92/563781092.db2.gz HABUSLUWIISPGD-DOMZBBRYSA-N 0 0 344.377 4.006 50 0 EIAARN C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000032895451 563781133 /nfs/dbraw/zinc/78/11/33/563781133.db2.gz HABUSLUWIISPGD-WFASDCNBSA-N 0 0 344.377 4.006 50 0 EIAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccoc1 ZINC000032900353 563784959 /nfs/dbraw/zinc/78/49/59/563784959.db2.gz IQYHMOIRDSLEIE-HNNXBMFYSA-N 0 0 348.402 4.365 50 0 EIAARN COc1ccc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000015519720 563786133 /nfs/dbraw/zinc/78/61/33/563786133.db2.gz NPZMWPXCUQNCKY-CABCVRRESA-N 0 0 329.465 4.096 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)COc2cc(C)cc(C)c2)cc1 ZINC000015544352 563786531 /nfs/dbraw/zinc/78/65/31/563786531.db2.gz YKRSYNVWPPMGRC-FQEVSTJZSA-N 0 0 339.435 4.055 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C)cc2C)cc1 ZINC000015577762 563787609 /nfs/dbraw/zinc/78/76/09/563787609.db2.gz VTRPUSFWCSLZMF-LJQANCHMSA-N 0 0 339.435 4.055 50 0 EIAARN O=C(NCc1ccccc1)c1sc2ncccc2c1-n1cccc1 ZINC000015786012 563792169 /nfs/dbraw/zinc/79/21/69/563792169.db2.gz JZBFORWAYRLDJM-UHFFFAOYSA-N 0 0 333.416 4.017 50 0 EIAARN Cc1cc(Nc2cc(Cl)ccc2C)n2nc(-c3ccco3)nc2n1 ZINC000015780381 563792245 /nfs/dbraw/zinc/79/22/45/563792245.db2.gz SFLUZNQJDRCQGZ-UHFFFAOYSA-N 0 0 339.786 4.398 50 0 EIAARN O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(F)cc1 ZINC000015839939 563795123 /nfs/dbraw/zinc/79/51/23/563795123.db2.gz YHVVKUVJVPJEDC-SFHVURJKSA-N 0 0 340.785 4.394 50 0 EIAARN CCCCSc1nc(=O)n(-c2ccc(Cl)cc2)c2c1CCC2 ZINC000015840475 563795504 /nfs/dbraw/zinc/79/55/04/563795504.db2.gz JLWCIIDGVOKEAG-UHFFFAOYSA-N 0 0 334.872 4.267 50 0 EIAARN O=c1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)[nH]1 ZINC000015987506 563801517 /nfs/dbraw/zinc/80/15/17/563801517.db2.gz NZTXOSONBRNBDV-UHFFFAOYSA-N 0 0 328.824 4.383 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)c1cccc(Br)c1 ZINC000015997558 563801664 /nfs/dbraw/zinc/80/16/64/563801664.db2.gz WPYJEGNAOPCWIA-UHFFFAOYSA-N 0 0 348.244 4.403 50 0 EIAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(C)c1C ZINC000032911571 563804317 /nfs/dbraw/zinc/80/43/17/563804317.db2.gz NLSITZJMCUTZPO-UHFFFAOYSA-N 0 0 347.462 4.160 50 0 EIAARN Cc1cnc(NC(=O)c2sc(Cc3ccccc3)nc2C)s1 ZINC000032914358 563811319 /nfs/dbraw/zinc/81/13/19/563811319.db2.gz RUIWDPXIXHEXSB-UHFFFAOYSA-N 0 0 329.450 4.060 50 0 EIAARN CCc1ccc2c(Cl)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)sc2c1 ZINC000016603879 563816687 /nfs/dbraw/zinc/81/66/87/563816687.db2.gz CISRYJMKUALXNK-GWCFXTLKSA-N 0 0 337.872 4.414 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000016606003 563817395 /nfs/dbraw/zinc/81/73/95/563817395.db2.gz UDNNGURQBZILJT-UHFFFAOYSA-N 0 0 327.409 4.230 50 0 EIAARN O=c1oc(-c2ccccc2Br)nc2c(Cl)cccc12 ZINC000016622176 563817734 /nfs/dbraw/zinc/81/77/34/563817734.db2.gz HMEKOSMATPNERW-UHFFFAOYSA-N 0 0 336.572 4.271 50 0 EIAARN CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000016623263 563817806 /nfs/dbraw/zinc/81/78/06/563817806.db2.gz NWWQVVXORJACNE-HNNXBMFYSA-N 0 0 328.481 4.176 50 0 EIAARN Cc1nc(-c2cccnc2)sc1C(=O)NCCC1=CCCCC1 ZINC000016625781 563818143 /nfs/dbraw/zinc/81/81/43/563818143.db2.gz MSRZGLYOWJUCDX-UHFFFAOYSA-N 0 0 327.453 4.134 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1nnn(-c2ccccc2)c1C1CC1 ZINC000016648102 563818977 /nfs/dbraw/zinc/81/89/77/563818977.db2.gz PAEDYCKQCFOJDZ-UHFFFAOYSA-N 0 0 338.798 4.050 50 0 EIAARN CCc1ccccc1NC(=O)c1noc2c1COc1ccc(C)cc1-2 ZINC000032920453 563823382 /nfs/dbraw/zinc/82/33/82/563823382.db2.gz RYFUJVADDGMMRR-UHFFFAOYSA-N 0 0 334.375 4.357 50 0 EIAARN O=C(Nc1cnc2ccccc2c1)c1cc(-c2cccc(F)c2)no1 ZINC000032922879 563824383 /nfs/dbraw/zinc/82/43/83/563824383.db2.gz CVBXMYZWDPEVHM-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN Cc1ccc(Nc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1F ZINC000016941255 563826499 /nfs/dbraw/zinc/82/64/99/563826499.db2.gz OAGFGFUOQCRMKF-UHFFFAOYSA-N 0 0 341.367 4.436 50 0 EIAARN CCCCCCc1nnc(NC(=O)Nc2ccccc2OC)s1 ZINC000017044976 563830345 /nfs/dbraw/zinc/83/03/45/563830345.db2.gz DQGBRGLEFWKMGB-UHFFFAOYSA-N 0 0 334.445 4.314 50 0 EIAARN C[C@@H]1CCC[C@H](C)N1C(=S)Nc1ccc(Br)cc1 ZINC000017066938 563831126 /nfs/dbraw/zinc/83/11/26/563831126.db2.gz WAROPAWZKNHESM-PHIMTYICSA-N 0 0 327.291 4.409 50 0 EIAARN Cc1cc(F)ccc1NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000017071513 563834652 /nfs/dbraw/zinc/83/46/52/563834652.db2.gz GRCZRSVMIAJRJW-UHFFFAOYSA-N 0 0 342.395 4.358 50 0 EIAARN C[C@H]1CCCCN1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000017072490 563836052 /nfs/dbraw/zinc/83/60/52/563836052.db2.gz JSOFIFDVNUWEDR-ZDUSSCGKSA-N 0 0 348.903 4.156 50 0 EIAARN C[C@H](NC(=O)CCc1ccsc1)c1cccc(OC(F)F)c1 ZINC000032930441 563840926 /nfs/dbraw/zinc/84/09/26/563840926.db2.gz GGECUJSPRGOLGK-NSHDSACASA-N 0 0 325.380 4.160 50 0 EIAARN CCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccncc2)cc1 ZINC000032931655 563842038 /nfs/dbraw/zinc/84/20/38/563842038.db2.gz VDHYBIZCSJFFDK-UHFFFAOYSA-N 0 0 345.402 4.149 50 0 EIAARN C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc(Cl)c1Cl ZINC000032931277 563842718 /nfs/dbraw/zinc/84/27/18/563842718.db2.gz JUSWHZMTRCQHPV-SMDDNHRTSA-N 0 0 330.255 4.319 50 0 EIAARN C[C@@H](CNc1ncnc2scc(-c3ccccc3)c21)Cn1cccn1 ZINC000032935547 563845088 /nfs/dbraw/zinc/84/50/88/563845088.db2.gz ANVRPVVUOQZRLA-AWEZNQCLSA-N 0 0 349.463 4.303 50 0 EIAARN CCOc1ccc([C@@H]2Sc3ccccc3NC3=COC(=O)C32)cc1 ZINC000017888506 563846241 /nfs/dbraw/zinc/84/62/41/563846241.db2.gz IEJNSGVYJIOYRR-SFHVURJKSA-N 0 0 339.416 4.155 50 0 EIAARN CCC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000018134836 563849372 /nfs/dbraw/zinc/84/93/72/563849372.db2.gz QNNFAFUBOYAIDN-IBGZPJMESA-N 0 0 336.435 4.085 50 0 EIAARN Cc1cc(N)nc(S[C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000072031451 563860490 /nfs/dbraw/zinc/86/04/90/563860490.db2.gz ORVCBIJUSJIJAJ-SECBINFHSA-N 0 0 329.347 4.119 50 0 EIAARN Cc1ncsc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000043269287 563861325 /nfs/dbraw/zinc/86/13/25/563861325.db2.gz LGXRXWXFVFZTNG-UHFFFAOYSA-N 0 0 349.868 4.405 50 0 EIAARN COc1ccc(CCOC(=O)/C=C/c2ccc3ccccc3n2)cc1 ZINC000006121173 563861583 /nfs/dbraw/zinc/86/15/83/563861583.db2.gz DSIXKVOGTFRHPX-JLHYYAGUSA-N 0 0 333.387 4.043 50 0 EIAARN C[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc2ncccc21 ZINC000022240987 563862597 /nfs/dbraw/zinc/86/25/97/563862597.db2.gz PFHFEWSHYKDEHI-HNNXBMFYSA-N 0 0 331.419 4.015 50 0 EIAARN O=C(OCc1ncc(-c2ccccc2)o1)c1cc(Cl)ccc1O ZINC000022569476 563863407 /nfs/dbraw/zinc/86/34/07/563863407.db2.gz OCVBNEYARBPURI-UHFFFAOYSA-N 0 0 329.739 4.058 50 0 EIAARN COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000023954670 563867918 /nfs/dbraw/zinc/86/79/18/563867918.db2.gz UYWVQISUDOXWOT-MRXNPFEDSA-N 0 0 337.463 4.384 50 0 EIAARN CC(C)Nc1nn(CN(C)Cc2ccccc2Cl)c(=S)s1 ZINC000023995494 563868183 /nfs/dbraw/zinc/86/81/83/563868183.db2.gz FYHBWSQGDMSXOA-UHFFFAOYSA-N 0 0 342.921 4.237 50 0 EIAARN CC(C)[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000024014502 563868273 /nfs/dbraw/zinc/86/82/73/563868273.db2.gz VYFMCCSXYJMYAG-GOSISDBHSA-N 0 0 341.842 4.063 50 0 EIAARN Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000024183528 563869705 /nfs/dbraw/zinc/86/97/05/563869705.db2.gz DHPRGTNPYQQLRN-CYBMUJFWSA-N 0 0 338.329 4.065 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 ZINC000024225891 563869864 /nfs/dbraw/zinc/86/98/64/563869864.db2.gz XYGSYRAFMIUIQG-UHFFFAOYSA-N 0 0 342.826 4.359 50 0 EIAARN CCCOc1ccccc1NC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000043452275 563872899 /nfs/dbraw/zinc/87/28/99/563872899.db2.gz DTYRZOURUVTSGH-UHFFFAOYSA-N 0 0 346.402 4.287 50 0 EIAARN COCC(=O)N(Cc1ccccc1)c1nc2c(cc(C)cc2C)s1 ZINC000024716249 563874469 /nfs/dbraw/zinc/87/44/69/563874469.db2.gz JRNLPZILSHSTIS-UHFFFAOYSA-N 0 0 340.448 4.093 50 0 EIAARN Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c(C)c1 ZINC000024813780 563876072 /nfs/dbraw/zinc/87/60/72/563876072.db2.gz PINLZESFIKPDGI-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1 ZINC000024830669 563876299 /nfs/dbraw/zinc/87/62/99/563876299.db2.gz FXEFPMGMBGXLHG-CHWSQXEVSA-N 0 0 348.393 4.057 50 0 EIAARN O=C(CCCOc1ccc(F)cc1)Nc1ccc(F)c(F)c1F ZINC000024837420 563876669 /nfs/dbraw/zinc/87/66/69/563876669.db2.gz PKVZHYNFLBSESL-UHFFFAOYSA-N 0 0 327.277 4.041 50 0 EIAARN CCc1cccc(C)c1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000024923988 563877545 /nfs/dbraw/zinc/87/75/45/563877545.db2.gz LQZHRXHWTCBXRN-UHFFFAOYSA-N 0 0 345.446 4.484 50 0 EIAARN O[C@@H](Cn1c2ccccc2nc1-c1cscn1)c1ccc(F)cc1 ZINC000025225773 563882290 /nfs/dbraw/zinc/88/22/90/563882290.db2.gz RPBNRFTULGQQRI-KRWDZBQOSA-N 0 0 339.395 4.033 50 0 EIAARN CCCCCCNC(=O)CCc1c(C)c2ccc(C)cc2oc1=O ZINC000025343298 563883672 /nfs/dbraw/zinc/88/36/72/563883672.db2.gz IVBGDQVTJARHHZ-UHFFFAOYSA-N 0 0 329.440 4.039 50 0 EIAARN O=c1ccc2ccc(OCc3csc(-c4ccco4)n3)cc2o1 ZINC000025434289 563884717 /nfs/dbraw/zinc/88/47/17/563884717.db2.gz BKYZDOIASNNNAB-UHFFFAOYSA-N 0 0 325.345 4.089 50 0 EIAARN COc1cc(CNc2nc(-c3cccs3)nc3ccccc32)ccn1 ZINC000025510235 563885326 /nfs/dbraw/zinc/88/53/26/563885326.db2.gz NISAFGVOLSRMSX-UHFFFAOYSA-N 0 0 348.431 4.374 50 0 EIAARN Cc1ccc(CCC2CCN(C(=O)c3cc(C4CC4)on3)CC2)cc1 ZINC000025580546 563886069 /nfs/dbraw/zinc/88/60/69/563886069.db2.gz IMUDCCDGNBOPJH-UHFFFAOYSA-N 0 0 338.451 4.345 50 0 EIAARN O=C(C[C@H]1C=CCC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000025910449 563888984 /nfs/dbraw/zinc/88/89/84/563888984.db2.gz JKPZOIDHCSJDSS-GJZGRUSLSA-N 0 0 342.464 4.165 50 0 EIAARN CCc1nc2sc(C(=O)Nc3ccc(F)cc3F)c(C)c2c(C)n1 ZINC000026220668 563890416 /nfs/dbraw/zinc/89/04/16/563890416.db2.gz MOGSWQFAFOFUPN-UHFFFAOYSA-N 0 0 347.390 4.401 50 0 EIAARN C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1cccs1 ZINC000026245097 563890518 /nfs/dbraw/zinc/89/05/18/563890518.db2.gz XNLBXRAPOJRBSQ-JTQLQIEISA-N 0 0 344.358 4.207 50 0 EIAARN CCCCc1noc([C@H](C)Nc2cccc(N3CCCCC3=O)c2)n1 ZINC000027048942 563894588 /nfs/dbraw/zinc/89/45/88/563894588.db2.gz PKYXEFRENRTKAH-AWEZNQCLSA-N 0 0 342.443 4.102 50 0 EIAARN COc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccccc3)o2)cc1F ZINC000027211251 563894853 /nfs/dbraw/zinc/89/48/53/563894853.db2.gz UCVTUIDVEUPJCM-ZDUSSCGKSA-N 0 0 341.386 4.077 50 0 EIAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000027588476 563897610 /nfs/dbraw/zinc/89/76/10/563897610.db2.gz JAGVEEWNOQSGNW-HNNXBMFYSA-N 0 0 347.480 4.167 50 0 EIAARN CCc1ccc(CN(C(=O)c2cccc(OC)c2)c2ccccn2)cc1 ZINC000027664546 563898826 /nfs/dbraw/zinc/89/88/26/563898826.db2.gz VQWAESRJRXNKKU-UHFFFAOYSA-N 0 0 346.430 4.500 50 0 biogenic EIAARN Clc1ccccc1Cn1c2ccccc2nc1CN1CCCC1 ZINC000027757696 563899526 /nfs/dbraw/zinc/89/95/26/563899526.db2.gz SJZBMWMMBUKNPZ-UHFFFAOYSA-N 0 0 325.843 4.334 50 0 EIAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000027823788 563899922 /nfs/dbraw/zinc/89/99/22/563899922.db2.gz VXPLWYHBGUYAHX-UHFFFAOYSA-N 0 0 342.247 4.053 50 0 EIAARN O=C1[C@H](c2ccccc2)N(Cc2ccco2)C(=S)N1c1ccccc1 ZINC000028405656 563902834 /nfs/dbraw/zinc/90/28/34/563902834.db2.gz VIIOMBBUQOIZNQ-SFHVURJKSA-N 0 0 348.427 4.155 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c(C)c1 ZINC000028683295 563903703 /nfs/dbraw/zinc/90/37/03/563903703.db2.gz HRJVLUFHAFCVSO-AWEZNQCLSA-N 0 0 343.496 4.244 50 0 EIAARN Cc1cc2occ(CC(=O)NCCc3ccccn3)c2cc1C(C)C ZINC000028875881 563904499 /nfs/dbraw/zinc/90/44/99/563904499.db2.gz VSJSWBVLEIPLPE-UHFFFAOYSA-N 0 0 336.435 4.161 50 0 EIAARN Cc1ccccc1[C@@H](C)NC(=O)NCc1nc2ccccc2s1 ZINC000029677139 563907867 /nfs/dbraw/zinc/90/78/67/563907867.db2.gz OSVIWUXGBPZHLZ-CYBMUJFWSA-N 0 0 325.437 4.165 50 0 EIAARN Cc1noc(C)c1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000029702175 563908040 /nfs/dbraw/zinc/90/80/40/563908040.db2.gz MLIDXKBZYCEVEX-OAQYLSRUSA-N 0 0 346.430 4.008 50 0 EIAARN O=C(CCc1ccccc1Cl)Nc1nc(-c2ccccn2)cs1 ZINC000029770135 563908506 /nfs/dbraw/zinc/90/85/06/563908506.db2.gz WSFAGBTZMQATBQ-UHFFFAOYSA-N 0 0 343.839 4.430 50 0 EIAARN Cc1nccn1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000029937959 563908887 /nfs/dbraw/zinc/90/88/87/563908887.db2.gz CDMJPQKWEPTBEF-UHFFFAOYSA-N 0 0 341.798 4.276 50 0 EIAARN CN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccc2ccccc2n1 ZINC000072290484 563908911 /nfs/dbraw/zinc/90/89/11/563908911.db2.gz WXFOPAAUQPZPSQ-UHFFFAOYSA-N 0 0 334.206 4.157 50 0 EIAARN CCOCc1ccccc1CNC(=O)c1ccc(C)c(-n2cccc2)c1 ZINC000030178030 563909610 /nfs/dbraw/zinc/90/96/10/563909610.db2.gz AJLKOUCPKYSGNY-UHFFFAOYSA-N 0 0 348.446 4.252 50 0 EIAARN O=C(Nc1c2nsnc2ccc1Cl)c1cc2ccccc2o1 ZINC000030930107 563911777 /nfs/dbraw/zinc/91/17/77/563911777.db2.gz AAGXWSWOCRXHOY-UHFFFAOYSA-N 0 0 329.768 4.343 50 0 EIAARN Cc1c(C(=O)N2C[C@@H](C)CCC[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000072295436 563912074 /nfs/dbraw/zinc/91/20/74/563912074.db2.gz DDGCWOKATKYXEN-QWRGUYRKSA-N 0 0 331.485 4.267 50 0 EIAARN CCCCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 ZINC000033088780 563915243 /nfs/dbraw/zinc/91/52/43/563915243.db2.gz GVRWJLLEENVLQV-UHFFFAOYSA-N 0 0 346.430 4.153 50 0 EIAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1F ZINC000033087356 563915250 /nfs/dbraw/zinc/91/52/50/563915250.db2.gz NHXBBANFRXACEE-AWEZNQCLSA-N 0 0 335.354 4.193 50 0 EIAARN O=C1c2ccccc2C(=O)N1CC[C@H](c1ccco1)c1ccccc1 ZINC000000545280 563917627 /nfs/dbraw/zinc/91/76/27/563917627.db2.gz YPKZONTUWJSOQS-INIZCTEOSA-N 0 0 331.371 4.098 50 0 EIAARN Cc1cc(C)c(C)c(OCCCCn2cnc3ccccc3c2=O)c1 ZINC000002863099 563917690 /nfs/dbraw/zinc/91/76/90/563917690.db2.gz IYAGTVNHSHBBGO-UHFFFAOYSA-N 0 0 336.435 4.181 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1 ZINC000002877930 563918640 /nfs/dbraw/zinc/91/86/40/563918640.db2.gz JCAMPSIRKCINNF-UHFFFAOYSA-N 0 0 343.308 4.415 50 0 EIAARN O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccco1 ZINC000004821195 563918875 /nfs/dbraw/zinc/91/88/75/563918875.db2.gz PINILVXMHHEAFL-UHFFFAOYSA-N 0 0 346.386 4.125 50 0 EIAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[C@@H]3CCCCO3)c2C1 ZINC000032964020 563919895 /nfs/dbraw/zinc/91/98/95/563919895.db2.gz DDMJMHYIUTXHRB-CABCVRRESA-N 0 0 339.435 4.086 50 0 EIAARN O=C(NC1CCCC1)c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000032971480 563920126 /nfs/dbraw/zinc/92/01/26/563920126.db2.gz YUYKONCZYCUKSJ-UHFFFAOYSA-N 0 0 325.412 4.067 50 0 EIAARN O=C(Nc1cccc(Oc2ncccn2)c1)[C@@H]1CCCc2ccccc21 ZINC000046292032 563920322 /nfs/dbraw/zinc/92/03/22/563920322.db2.gz ZNFJNPYWNBAHCW-LJQANCHMSA-N 0 0 345.402 4.328 50 0 EIAARN CCOc1ccccc1OCCC(=O)Nc1cccc2cccnc21 ZINC000032983132 563920590 /nfs/dbraw/zinc/92/05/90/563920590.db2.gz CNAUAKMUPQDYSI-UHFFFAOYSA-N 0 0 336.391 4.041 50 0 EIAARN COCc1c2ccccc2oc1C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000032983406 563920608 /nfs/dbraw/zinc/92/06/08/563920608.db2.gz NZGWNUBJASGFLO-LLVKDONJSA-N 0 0 345.345 4.348 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000072273871 563920942 /nfs/dbraw/zinc/92/09/42/563920942.db2.gz ZJRTUZYOHIHLBJ-ZACQAIPSSA-N 0 0 326.465 4.309 50 0 EIAARN O=C(c1cccc(-n2cccc2)c1)N(C[C@@H]1CCOC1)c1ccccc1 ZINC000071805633 563922579 /nfs/dbraw/zinc/92/25/79/563922579.db2.gz FJDOHGJBGRORCK-SFHVURJKSA-N 0 0 346.430 4.161 50 0 EIAARN CC(C)c1csc(-c2ccc(CNC(=O)c3ccoc3)cc2)n1 ZINC000097938127 563922840 /nfs/dbraw/zinc/92/28/40/563922840.db2.gz RQYPOPKYCLENFP-UHFFFAOYSA-N 0 0 326.421 4.457 50 0 EIAARN CCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O ZINC000097939210 563923910 /nfs/dbraw/zinc/92/39/10/563923910.db2.gz HLBVYNGQFITJKW-UHFFFAOYSA-N 0 0 344.480 4.012 50 0 EIAARN Cc1ccc(C)c(C(=O)CCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000033018869 563926068 /nfs/dbraw/zinc/92/60/68/563926068.db2.gz COCDXTNRCHSZRS-UHFFFAOYSA-N 0 0 339.479 4.351 50 0 EIAARN CCOC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000044200637 563926366 /nfs/dbraw/zinc/92/63/66/563926366.db2.gz MOTCFMNUJWFPPX-UHFFFAOYSA-N 0 0 335.197 4.205 50 0 EIAARN CC(C)C(=O)Nc1nc2cc(NC(=O)c3cccs3)ccc2s1 ZINC000033020294 563928864 /nfs/dbraw/zinc/92/88/64/563928864.db2.gz CRWDPTCZIZESHT-UHFFFAOYSA-N 0 0 345.449 4.205 50 0 EIAARN CCc1cccc(C)c1NC(=O)CCC(=O)c1ccc(F)cc1F ZINC000177729610 563929781 /nfs/dbraw/zinc/92/97/81/563929781.db2.gz HJCCAQGWSVXWRO-UHFFFAOYSA-N 0 0 331.362 4.437 50 0 EIAARN CC(C)CNC(=O)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1 ZINC000033025376 563930457 /nfs/dbraw/zinc/93/04/57/563930457.db2.gz GDFICQIUUSDAMF-UHFFFAOYSA-N 0 0 346.434 4.273 50 0 EIAARN COc1cccc2cc(C(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)oc21 ZINC000013692705 563931893 /nfs/dbraw/zinc/93/18/93/563931893.db2.gz XPHDYYGBODTRGV-ZDUSSCGKSA-N 0 0 348.402 4.284 50 0 EIAARN CCn1nc(C(=O)Nc2nc3c(cccc3C(C)C)s2)cc1C ZINC000013703396 563931982 /nfs/dbraw/zinc/93/19/82/563931982.db2.gz TVVQTUJTTYRUHA-UHFFFAOYSA-N 0 0 328.441 4.197 50 0 EIAARN C[C@@H](Sc1nc2c3ccccc3[nH]c2c(=O)n1C)c1ccccc1 ZINC000013878714 563935794 /nfs/dbraw/zinc/93/57/94/563935794.db2.gz PMOUOFAYCYMFBP-GFCCVEGCSA-N 0 0 335.432 4.268 50 0 EIAARN O=C(Nc1ccccc1F)NC1(c2ccc(Br)cc2)CC1 ZINC000058018751 563936884 /nfs/dbraw/zinc/93/68/84/563936884.db2.gz IOGWCYSTPWMWAI-UHFFFAOYSA-N 0 0 349.203 4.399 50 0 EIAARN Cc1cccc2cc([C@@H]3Nc4cccc(C)c4C(=O)N3)c(Cl)nc12 ZINC000058128903 563937522 /nfs/dbraw/zinc/93/75/22/563937522.db2.gz GZRUPPXNEQNBMZ-GOSISDBHSA-N 0 0 337.810 4.359 50 0 EIAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC1CCC(C)CC1 ZINC000058149649 563937881 /nfs/dbraw/zinc/93/78/81/563937881.db2.gz QWNYPEVNILEDFA-UHFFFAOYSA-N 0 0 329.444 4.044 50 0 EIAARN Cc1cccc(Nc2nc(-c3ccc4c(c3)oc(=O)n4C)cs2)c1 ZINC000058163114 563938645 /nfs/dbraw/zinc/93/86/45/563938645.db2.gz WZMYJAXJEXUFEQ-UHFFFAOYSA-N 0 0 337.404 4.307 50 0 EIAARN CC(=O)c1c(C)cc(C)c(CNc2ccc(-n3nccn3)cc2)c1C ZINC000058194472 563939450 /nfs/dbraw/zinc/93/94/50/563939450.db2.gz GMHMPOAAVOZLOW-UHFFFAOYSA-N 0 0 334.423 4.007 50 0 EIAARN CC(C)c1nc(CNCc2cccc(NC(=O)C3CCC3)c2)cs1 ZINC000058208982 563939834 /nfs/dbraw/zinc/93/98/34/563939834.db2.gz PCBZMMXTVFVFIE-UHFFFAOYSA-N 0 0 343.496 4.295 50 0 EIAARN Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000058283851 563941818 /nfs/dbraw/zinc/94/18/18/563941818.db2.gz GYCCSCRVWCWTOE-UHFFFAOYSA-N 0 0 349.724 4.229 50 0 EIAARN Cc1ccc(-c2nsc(NC(=O)c3oc4ccccc4c3C)n2)o1 ZINC000058294745 563941874 /nfs/dbraw/zinc/94/18/74/563941874.db2.gz MNTFSTNEWKVAFG-UHFFFAOYSA-N 0 0 339.376 4.413 50 0 EIAARN Cc1cc(NC(=O)Cn2c(C)cc3ccccc32)n(-c2ccccc2)n1 ZINC000058305177 563942077 /nfs/dbraw/zinc/94/20/77/563942077.db2.gz LWWSORBKRFPGQJ-UHFFFAOYSA-N 0 0 344.418 4.083 50 0 EIAARN Cc1cn2cc(NC(=O)c3ccc(SC(C)C)cc3)ccc2n1 ZINC000058305306 563942097 /nfs/dbraw/zinc/94/20/97/563942097.db2.gz AYIRWOUCXUAXRE-UHFFFAOYSA-N 0 0 325.437 4.396 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)cn1 ZINC000058314145 563942314 /nfs/dbraw/zinc/94/23/14/563942314.db2.gz UVEKIEYOOXSCFJ-UHFFFAOYSA-N 0 0 342.402 4.196 50 0 EIAARN Cc1ccccc1[C@H](C)NC(=O)c1cnn(C(C)C)c1C(F)(F)F ZINC000058323222 563942548 /nfs/dbraw/zinc/94/25/48/563942548.db2.gz ZOJVGHXWDYGBEW-LBPRGKRZSA-N 0 0 339.361 4.282 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)no1 ZINC000058377566 563944199 /nfs/dbraw/zinc/94/41/99/563944199.db2.gz WQMRVBGCTBYBCA-CQSZACIVSA-N 0 0 342.292 4.118 50 0 EIAARN Cn1ccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)n1 ZINC000058377733 563944201 /nfs/dbraw/zinc/94/42/01/563944201.db2.gz CCSCICGRTVSJGQ-UHFFFAOYSA-N 0 0 347.846 4.139 50 0 EIAARN O=C(CCCOc1cccc2ccccc21)N1CCOc2ccccc21 ZINC000058378274 563944240 /nfs/dbraw/zinc/94/42/40/563944240.db2.gz VNRLTDWLVHIXBI-UHFFFAOYSA-N 0 0 347.414 4.424 50 0 EIAARN O=C(Cn1cc(-c2ccccc2)cn1)Nc1ccc2ccccc2c1 ZINC000058404321 563944942 /nfs/dbraw/zinc/94/49/42/563944942.db2.gz OSVZMDKHIVJDLJ-UHFFFAOYSA-N 0 0 327.387 4.342 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(-c3nnco3)ccc2C)C1(C)C ZINC000058414433 563945441 /nfs/dbraw/zinc/94/54/41/563945441.db2.gz HACZHFWEGWXYGL-ZBFHGGJFSA-N 0 0 325.412 4.222 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(Cn3cccn3)cc2)c(C)n1C(C)C ZINC000058472170 563946691 /nfs/dbraw/zinc/94/66/91/563946691.db2.gz MBKLYPUVDCQYEQ-UHFFFAOYSA-N 0 0 336.439 4.183 50 0 EIAARN C[C@H](c1nc(C2CC2)no1)N(C)Cc1ccccc1C(F)(F)F ZINC000059402470 563948918 /nfs/dbraw/zinc/94/89/18/563948918.db2.gz HXLBYJKPOIMDQV-SNVBAGLBSA-N 0 0 325.334 4.159 50 0 EIAARN Cc1ccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000060120776 563949657 /nfs/dbraw/zinc/94/96/57/563949657.db2.gz QOIMFIWEKBDCSN-UHFFFAOYSA-N 0 0 343.427 4.160 50 0 EIAARN CC(C)Cc1nnc([C@@H](C)Sc2ncccc2Br)o1 ZINC000096411952 563950681 /nfs/dbraw/zinc/95/06/81/563950681.db2.gz WKSWVIIIBSDGKM-SECBINFHSA-N 0 0 342.262 4.279 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000096415164 563951075 /nfs/dbraw/zinc/95/10/75/563951075.db2.gz JYCLMSDMTJJAPA-YVEFUNNKSA-N 0 0 333.382 4.214 50 0 EIAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(F)(F)F ZINC000062139075 563951690 /nfs/dbraw/zinc/95/16/90/563951690.db2.gz BZSQSUOORMKBNL-UHFFFAOYSA-N 0 0 337.297 4.005 50 0 EIAARN CCN(CC)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)c(F)c1 ZINC000096428218 563952263 /nfs/dbraw/zinc/95/22/63/563952263.db2.gz ACZNPNQVDKSLOL-CYBMUJFWSA-N 0 0 331.391 4.125 50 0 EIAARN Cc1nn(C)c(Cl)c1CSCc1nnc(-c2ccc(C)cc2)o1 ZINC000096433438 563952850 /nfs/dbraw/zinc/95/28/50/563952850.db2.gz NYZZTFZCKKZWAV-UHFFFAOYSA-N 0 0 348.859 4.174 50 0 EIAARN CCn1nc(C)c(NC(=O)Nc2ccc(OC(C)C)cc2F)c1C ZINC000096434370 563953048 /nfs/dbraw/zinc/95/30/48/563953048.db2.gz ONZSYXFHNFJWHS-UHFFFAOYSA-N 0 0 334.395 4.090 50 0 EIAARN CO[C@H](C)c1cccc(NC(=O)N2CC[C@@H](OCCC(C)C)C2)c1 ZINC000096459615 563953959 /nfs/dbraw/zinc/95/39/59/563953959.db2.gz DHYVUIXZOJHWCJ-CRAIPNDOSA-N 0 0 334.460 4.063 50 0 EIAARN Cc1ccoc1C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000096484083 563955389 /nfs/dbraw/zinc/95/53/89/563955389.db2.gz PIFBMWXFYHYCFU-UHFFFAOYSA-N 0 0 330.384 4.496 50 0 EIAARN COc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)c(OC)c1 ZINC000064667104 563956930 /nfs/dbraw/zinc/95/69/30/563956930.db2.gz GXIUUPXHMPYZMB-QGZVFWFLSA-N 0 0 330.428 4.152 50 0 EIAARN COc1cc(CN2CCC[C@@H]2c2cc(C)no2)ccc1OCC(C)C ZINC000064666865 563957035 /nfs/dbraw/zinc/95/70/35/563957035.db2.gz XCMSCXOPYMDAOL-QGZVFWFLSA-N 0 0 344.455 4.364 50 0 EIAARN Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2cccc(F)c2)cc1 ZINC000064983869 563957389 /nfs/dbraw/zinc/95/73/89/563957389.db2.gz BJZVTVQZVHSPSI-IBGZPJMESA-N 0 0 347.455 4.440 50 0 EIAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2F)cc1 ZINC000064984243 563957406 /nfs/dbraw/zinc/95/74/06/563957406.db2.gz LQXXAZDGKYHHPZ-GOSISDBHSA-N 0 0 347.455 4.440 50 0 EIAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2OC)no1 ZINC000064984938 563957807 /nfs/dbraw/zinc/95/78/07/563957807.db2.gz APIRDPWFQYGNHX-QGZVFWFLSA-N 0 0 343.427 4.313 50 0 EIAARN CC(C)(C)Cc1c(-c2ccccc2)ncn1C[C@@H](O)c1cccnc1 ZINC000065373715 563958716 /nfs/dbraw/zinc/95/87/16/563958716.db2.gz DJGHQQCRKUJOME-LJQANCHMSA-N 0 0 335.451 4.267 50 0 EIAARN CC[C@@H](c1nccs1)n1cnc(-c2ccccc2)c1-c1nccn1C ZINC000065398440 563959859 /nfs/dbraw/zinc/95/98/59/563959859.db2.gz XRJARFMRCJKXLS-HNNXBMFYSA-N 0 0 349.463 4.407 50 0 EIAARN CSCC[C@@H]1CC(=O)Nc2c1c(C(C)C)nn2-c1ccccc1 ZINC000065461676 563961134 /nfs/dbraw/zinc/96/11/34/563961134.db2.gz QFHIHEUXEADYTG-CYBMUJFWSA-N 0 0 329.469 4.175 50 0 EIAARN Cc1cc(NC(=O)c2cnccn2)ccc1-c1nc2ccccc2s1 ZINC000033084466 563963433 /nfs/dbraw/zinc/96/34/33/563963433.db2.gz QMKYDPZOJKPISL-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1cc(C)ccc1C ZINC000033085958 563963469 /nfs/dbraw/zinc/96/34/69/563963469.db2.gz YYMWXTWCWMWUPT-UHFFFAOYSA-N 0 0 348.450 4.345 50 0 EIAARN O=C(c1cnc(NCCc2ccsc2)c(Cl)c1)N1CCCCC1 ZINC000060446356 563963539 /nfs/dbraw/zinc/96/35/39/563963539.db2.gz VRSYEWVYBIPTLE-UHFFFAOYSA-N 0 0 349.887 4.077 50 0 EIAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2/C=C/c2ccco2)cc1 ZINC000070038068 563963880 /nfs/dbraw/zinc/96/38/80/563963880.db2.gz KFCROCWORHNZMR-SJFMBGHLSA-N 0 0 346.386 4.400 50 0 EIAARN Brc1ccc(-c2cnn3c2nccc3-c2ccco2)cc1 ZINC000071375484 563964202 /nfs/dbraw/zinc/96/42/02/563964202.db2.gz CQTOHQPRXCLUPZ-UHFFFAOYSA-N 0 0 340.180 4.419 50 0 EIAARN COCc1nn2c(nccc2-c2ccccc2OC)c1-c1ccccc1 ZINC000071376137 563964231 /nfs/dbraw/zinc/96/42/31/563964231.db2.gz GPNDEEAHLRHVGA-UHFFFAOYSA-N 0 0 345.402 4.218 50 0 EIAARN Oc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1Cl ZINC000071614141 563964591 /nfs/dbraw/zinc/96/45/91/563964591.db2.gz QXDJSUYQHRJWDW-KRWDZBQOSA-N 0 0 338.234 4.273 50 0 EIAARN CCCNC(=S)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000060544714 563964881 /nfs/dbraw/zinc/96/48/81/563964881.db2.gz DOIDUAAPRGFMDY-JAGHRAMZSA-N 0 0 336.504 4.158 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)c1nn2c(nnc2C2CC2)s1 ZINC000071767596 563965573 /nfs/dbraw/zinc/96/55/73/563965573.db2.gz ATGBBSBRBVZMCD-VIFPVBQESA-N 0 0 334.832 4.165 50 0 EIAARN c1csc(-c2ncc(-c3nccn3CC[C@H]3CCCCO3)cn2)c1 ZINC000071771728 563965638 /nfs/dbraw/zinc/96/56/38/563965638.db2.gz FPCWXRLXZDKQAT-OAHLLOKOSA-N 0 0 340.452 4.028 50 0 EIAARN Nc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccccc1 ZINC000033251641 563966067 /nfs/dbraw/zinc/96/60/67/563966067.db2.gz MYDMCEIHQKKSIA-UHFFFAOYSA-N 0 0 329.812 4.353 50 0 EIAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)no1 ZINC000033257294 563966179 /nfs/dbraw/zinc/96/61/79/563966179.db2.gz CPYYGJWVUYCHSZ-UHFFFAOYSA-N 0 0 340.358 4.391 50 0 EIAARN CCOC(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1NC1CCCCC1 ZINC000033256872 563966186 /nfs/dbraw/zinc/96/61/86/563966186.db2.gz VPWIAWSKWLMRLM-UHFFFAOYSA-N 0 0 348.830 4.103 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)NCCC3=CCCCC3)cc2)no1 ZINC000033257367 563966190 /nfs/dbraw/zinc/96/61/90/563966190.db2.gz XONYCZFABRBNTQ-UHFFFAOYSA-N 0 0 326.400 4.057 50 0 EIAARN Cc1nc(-c2cccc(C(=O)Nc3ccc(F)cc3Cl)c2)no1 ZINC000033257659 563966220 /nfs/dbraw/zinc/96/62/20/563966220.db2.gz VEDSDGZGXCLUFB-UHFFFAOYSA-N 0 0 331.734 4.090 50 0 EIAARN CC(C)CNC(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033261322 563966293 /nfs/dbraw/zinc/96/62/93/563966293.db2.gz ULXNWGVTCBFRRV-UHFFFAOYSA-N 0 0 346.434 4.273 50 0 EIAARN COC(=O)c1ccc(-c2ccc(C(=O)OC)c(Cl)c2)cc1Cl ZINC000074938332 563967092 /nfs/dbraw/zinc/96/70/92/563967092.db2.gz LAFFMQZEZWDTBZ-UHFFFAOYSA-N 0 0 339.174 4.234 50 0 EIAARN COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2OC)o1 ZINC000097094892 563967432 /nfs/dbraw/zinc/96/74/32/563967432.db2.gz WEHCDLFEEPTDJB-MRXNPFEDSA-N 0 0 344.411 4.112 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000000032943 563967771 /nfs/dbraw/zinc/96/77/71/563967771.db2.gz RWGPMCRFVSZGEE-UHFFFAOYSA-N 0 0 339.445 4.227 50 0 EIAARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2-c2nonc2N)cc1 ZINC000000034803 563967858 /nfs/dbraw/zinc/96/78/58/563967858.db2.gz YITVNTKWKUCSCF-UHFFFAOYSA-N 0 0 347.422 4.014 50 0 EIAARN COCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2cc(C)oc2C)o1 ZINC000097161849 563968404 /nfs/dbraw/zinc/96/84/04/563968404.db2.gz HKUNMSQQWAECSU-CXAGYDPISA-N 0 0 346.427 4.244 50 0 EIAARN CSc1ccsc1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000337270381 563968628 /nfs/dbraw/zinc/96/86/28/563968628.db2.gz ZTCWCEBBPPYYDU-UHFFFAOYSA-N 0 0 334.441 4.063 50 0 EIAARN CN(Cc1cccc2ncccc12)C(=O)CCCOc1ccccc1 ZINC000077339350 563969020 /nfs/dbraw/zinc/96/90/20/563969020.db2.gz XFPDPAYEMOOXON-UHFFFAOYSA-N 0 0 334.419 4.052 50 0 EIAARN Cc1ccccc1SC1CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000077379383 563969255 /nfs/dbraw/zinc/96/92/55/563969255.db2.gz QNPYWNVQKFHKIO-UHFFFAOYSA-N 0 0 343.496 4.169 50 0 EIAARN Clc1cncc(Cl)c1CN1CCCC[C@@H]1CCn1cccn1 ZINC000077407231 563969464 /nfs/dbraw/zinc/96/94/64/563969464.db2.gz GGQKXUHQXMKCGM-CYBMUJFWSA-N 0 0 339.270 4.030 50 0 EIAARN CCCCN(Cc1ccncc1)C(=O)c1cc(-c2ccccc2)on1 ZINC000077436435 563969643 /nfs/dbraw/zinc/96/96/43/563969643.db2.gz YGMFGGKKDKROFS-UHFFFAOYSA-N 0 0 335.407 4.179 50 0 EIAARN Cc1cc(C)n([C@@H](C)Cn2ccnc2-c2c(C)ccc3ncccc32)n1 ZINC000077459398 563969827 /nfs/dbraw/zinc/96/98/27/563969827.db2.gz CTSMEWKEUMUCNJ-KRWDZBQOSA-N 0 0 345.450 4.481 50 0 EIAARN Cc1nc(C(=O)N2CCC(Sc3ccc(C)cc3)CC2)cs1 ZINC000077503838 563969998 /nfs/dbraw/zinc/96/99/98/563969998.db2.gz YEVFJRASWMTAMM-UHFFFAOYSA-N 0 0 332.494 4.157 50 0 EIAARN Cc1cc(C(F)(F)F)n(C[C@H](C)Cn2ccnc2-c2ccco2)n1 ZINC000077505572 563970094 /nfs/dbraw/zinc/97/00/94/563970094.db2.gz ABBBDRDARDJWDC-LLVKDONJSA-N 0 0 338.333 4.003 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077519270 563970185 /nfs/dbraw/zinc/97/01/85/563970185.db2.gz NMFDBKRRVZSWGY-GOSISDBHSA-N 0 0 330.403 4.117 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)c2ccc3occc3c2)[C@@H](C)C1 ZINC000077555598 563970320 /nfs/dbraw/zinc/97/03/20/563970320.db2.gz YQOFAXJLSWQTAU-INIZCTEOSA-N 0 0 334.419 4.092 50 0 EIAARN C[C@H](Nc1cccc(C(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000097232252 563970733 /nfs/dbraw/zinc/97/07/33/563970733.db2.gz MEXMGOULHZIGSJ-NSHDSACASA-N 0 0 340.395 4.169 50 0 EIAARN C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000097232253 563970808 /nfs/dbraw/zinc/97/08/08/563970808.db2.gz MEXMGOULHZIGSJ-LLVKDONJSA-N 0 0 340.395 4.169 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc3c(C)cccc23)on1 ZINC000082091422 563972044 /nfs/dbraw/zinc/97/20/44/563972044.db2.gz WDGRJCMGSSAVMB-KRWDZBQOSA-N 0 0 335.407 4.125 50 0 EIAARN O=C(C1=Cc2ccccc2OC=C1)N1CC[C@H](c2ccccc2F)C1 ZINC000082099802 563972281 /nfs/dbraw/zinc/97/22/81/563972281.db2.gz YYJJMXOXYMHDHI-KRWDZBQOSA-N 0 0 335.378 4.131 50 0 EIAARN CC(=O)Nc1ccc(-n2ccnc2-c2c(C)ccc3ncccc32)cc1 ZINC000082128053 563972564 /nfs/dbraw/zinc/97/25/64/563972564.db2.gz GOYYXOQNQYDXHC-UHFFFAOYSA-N 0 0 342.402 4.354 50 0 EIAARN Cc1cc2cccc(C(=O)N3CCCC[C@H]3CCn3cccn3)c2o1 ZINC000082138797 563972642 /nfs/dbraw/zinc/97/26/42/563972642.db2.gz YPGJESHESGCEOP-KRWDZBQOSA-N 0 0 337.423 4.023 50 0 EIAARN O=C(C1=Cc2ccccc2OC=C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000082156985 563972740 /nfs/dbraw/zinc/97/27/40/563972740.db2.gz JUIGNTVXCKQWEP-UHFFFAOYSA-N 0 0 342.398 4.042 50 0 EIAARN CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cc(Cl)ccc1F ZINC000082161618 563972846 /nfs/dbraw/zinc/97/28/46/563972846.db2.gz RLGKKANKVIHRKZ-AWEZNQCLSA-N 0 0 346.833 4.078 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033278994 563972871 /nfs/dbraw/zinc/97/28/71/563972871.db2.gz DROMMXQKZMODQO-GFCCVEGCSA-N 0 0 339.370 4.071 50 0 EIAARN O=C(NC1CCCC1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278872 563972881 /nfs/dbraw/zinc/97/28/81/563972881.db2.gz WFALSRVONPYIJM-UHFFFAOYSA-N 0 0 333.391 4.076 50 0 EIAARN Cc1noc(C)c1NC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000585140647 563973350 /nfs/dbraw/zinc/97/33/50/563973350.db2.gz ADWBGDQILHMMTO-UHFFFAOYSA-N 0 0 331.391 4.062 50 0 EIAARN Cc1ccc(C(=O)N[C@H](c2cccs2)C2CCOCC2)cc1F ZINC000585149308 563974193 /nfs/dbraw/zinc/97/41/93/563974193.db2.gz IKNDHIHBEMIKGG-KRWDZBQOSA-N 0 0 333.428 4.093 50 0 EIAARN CSc1cccc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)c1 ZINC000585149424 563974218 /nfs/dbraw/zinc/97/42/18/563974218.db2.gz RHEZFIXPTCCVNQ-QGZVFWFLSA-N 0 0 347.505 4.368 50 0 EIAARN CC(C)c1noc([C@H]2CCCN2C(=O)c2ccc3sccc3c2)n1 ZINC000091270178 563975124 /nfs/dbraw/zinc/97/51/24/563975124.db2.gz YLLJYULSRPLVSO-CQSZACIVSA-N 0 0 341.436 4.385 50 0 EIAARN CCCc1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)cs1 ZINC000091270218 563975188 /nfs/dbraw/zinc/97/51/88/563975188.db2.gz NULOWNPFXHGUAD-KRWDZBQOSA-N 0 0 345.512 4.291 50 0 EIAARN Cc1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)cs1 ZINC000091319724 563975272 /nfs/dbraw/zinc/97/52/72/563975272.db2.gz XHHCBMDFPDHYRC-KRWDZBQOSA-N 0 0 329.465 4.390 50 0 EIAARN CN(C)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 ZINC000000090766 563976521 /nfs/dbraw/zinc/97/65/21/563976521.db2.gz ODIPDNKSGGZOKP-UHFFFAOYSA-N 0 0 327.409 4.031 50 0 EIAARN Cc1cc2nnn(-c3nc(C)nc4sc5c(c43)CCCC5)c2cc1C ZINC000000091391 563976576 /nfs/dbraw/zinc/97/65/76/563976576.db2.gz ZMLWUGVANYFLAE-UHFFFAOYSA-N 0 0 349.463 4.229 50 0 EIAARN O=C(CN1CCc2ccccc2C1)n1c2ccccc2c2c1CCCC2 ZINC000095883200 563977768 /nfs/dbraw/zinc/97/77/68/563977768.db2.gz UEBSRNFBVVUCPE-UHFFFAOYSA-N 0 0 344.458 4.219 50 0 EIAARN Cc1nc2cc(NC(=O)N3CCCC[C@H]3c3cccnc3)ccc2[nH]1 ZINC000096137770 563979442 /nfs/dbraw/zinc/97/94/42/563979442.db2.gz ZTRXKXZWRYZNOJ-SFHVURJKSA-N 0 0 335.411 4.025 50 0 EIAARN COc1cccc(-c2ccc(F)cn2)c1C(=O)N(C(C)C)C(C)C ZINC000096139121 563979462 /nfs/dbraw/zinc/97/94/62/563979462.db2.gz NOIAEICEONLWLN-UHFFFAOYSA-N 0 0 330.403 4.155 50 0 EIAARN COC[C@H]1CCCN1C(=O)Nc1ccc(-c2ccc(OC)cc2)cc1 ZINC000096151238 563979673 /nfs/dbraw/zinc/97/96/73/563979673.db2.gz PGBGSELREWCEDK-GOSISDBHSA-N 0 0 340.423 4.005 50 0 EIAARN O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccccc1Cl ZINC000096287841 563980721 /nfs/dbraw/zinc/98/07/21/563980721.db2.gz NTXHRJAYPLDINI-ARFHVFGLSA-N 0 0 339.822 4.413 50 0 EIAARN CCC[C@H]1C=CCN1C(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000097117339 563981285 /nfs/dbraw/zinc/98/12/85/563981285.db2.gz IBNJSXWPJNGOQF-KRWDZBQOSA-N 0 0 343.430 4.478 50 0 EIAARN Cc1ccc(N2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000006275971 563981448 /nfs/dbraw/zinc/98/14/48/563981448.db2.gz PRHZXGGRNOMSGR-UHFFFAOYSA-N 0 0 344.418 4.011 50 0 EIAARN CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1noc2c1CCCC2 ZINC000097568830 563981700 /nfs/dbraw/zinc/98/17/00/563981700.db2.gz POGWPWHZSHQCRA-GOSISDBHSA-N 0 0 330.428 4.020 50 0 EIAARN CC(C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000014137381 563983300 /nfs/dbraw/zinc/98/33/00/563983300.db2.gz VGSKARPASAODCR-GFCCVEGCSA-N 0 0 340.448 4.495 50 0 EIAARN O=C(NCCCOc1ccccc1F)c1ccc(C(F)(F)F)cc1 ZINC000014167081 563983368 /nfs/dbraw/zinc/98/33/68/563983368.db2.gz CCTIEAQZXGIYPW-UHFFFAOYSA-N 0 0 341.304 4.043 50 0 EIAARN CN(Cc1ccccn1)c1ccnc2c(F)cc(Br)cc12 ZINC000095463608 563983402 /nfs/dbraw/zinc/98/34/02/563983402.db2.gz RFYIZKUNXLPTAW-UHFFFAOYSA-N 0 0 346.203 4.168 50 0 EIAARN CC[C@@H]1CCCCN1c1cc(C)nc2nc(-c3ccc(C)cc3)nn21 ZINC000014610269 563986135 /nfs/dbraw/zinc/98/61/35/563986135.db2.gz JDDNGTNJWNGLNP-QGZVFWFLSA-N 0 0 335.455 4.177 50 0 EIAARN COc1ccc(Nc2cc(C)nc3nc(-c4ccccc4C)nn32)cc1 ZINC000014610497 563986163 /nfs/dbraw/zinc/98/61/63/563986163.db2.gz CGYYIMXSYQITOI-UHFFFAOYSA-N 0 0 345.406 4.160 50 0 EIAARN COc1ccc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc1 ZINC000000109630 563986545 /nfs/dbraw/zinc/98/65/45/563986545.db2.gz XDZNIPCRIYUCSA-UHFFFAOYSA-N 0 0 337.354 4.225 50 0 EIAARN COc1ccc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000000108543 563986564 /nfs/dbraw/zinc/98/65/64/563986564.db2.gz YZFUQKPOIQMEOT-UHFFFAOYSA-N 0 0 337.354 4.225 50 0 EIAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(C)c(C)c1 ZINC000000130815 563986931 /nfs/dbraw/zinc/98/69/31/563986931.db2.gz YOWDMAXOVPSZSQ-UHFFFAOYSA-N 0 0 339.435 4.224 50 0 EIAARN CCc1ccccc1OCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000000148505 563987289 /nfs/dbraw/zinc/98/72/89/563987289.db2.gz BCJDUTAOMMFXHB-UHFFFAOYSA-N 0 0 345.468 4.166 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc3ccccc32)cc1 ZINC000000151399 563987428 /nfs/dbraw/zinc/98/74/28/563987428.db2.gz PGSLNZDMRUXXQG-CQSZACIVSA-N 0 0 349.386 4.032 50 0 EIAARN CCN1c2ccc(NC(=O)c3ccccc3OC)c3cccc(c23)C1=O ZINC000000175391 563987626 /nfs/dbraw/zinc/98/76/26/563987626.db2.gz NTEYVMYRWPQEFR-UHFFFAOYSA-N 0 0 346.386 4.081 50 0 EIAARN COc1cc2ccccc2cc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000000188305 563988024 /nfs/dbraw/zinc/98/80/24/563988024.db2.gz XCQKJZQIZVZTPZ-UHFFFAOYSA-N 0 0 338.432 4.436 50 0 EIAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(F)cc1 ZINC000000190386 563988122 /nfs/dbraw/zinc/98/81/22/563988122.db2.gz JTMVUFVBGRCTOA-UHFFFAOYSA-N 0 0 329.352 4.079 50 0 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0 334.510 4.201 50 0 EIAARN O=C(CCc1cscn1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000272709417 564007464 /nfs/dbraw/zinc/00/74/64/564007464.db2.gz AMFBYFNRIUAJMZ-UHFFFAOYSA-N 0 0 332.444 4.057 50 0 EIAARN CC(C)n1cccc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273467899 564007805 /nfs/dbraw/zinc/00/78/05/564007805.db2.gz FCIGTFCKADBBEA-PKOBYXMFSA-N 0 0 344.430 4.200 50 0 EIAARN CO[C@H](c1noc(-c2cnn(C(C)(C)C)c2)n1)c1ccccc1Cl ZINC000274103663 564008126 /nfs/dbraw/zinc/00/81/26/564008126.db2.gz TUCBZEMMBIMLKP-AWEZNQCLSA-N 0 0 346.818 4.077 50 0 EIAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000017291364 564011495 /nfs/dbraw/zinc/01/14/95/564011495.db2.gz ZPXLTQVABXTVCV-GFCCVEGCSA-N 0 0 343.427 4.067 50 0 EIAARN COc1c(Cl)cc(C(=O)Nc2nc3ccccc3[nH]2)cc1Cl ZINC000017304315 564011573 /nfs/dbraw/zinc/01/15/73/564011573.db2.gz BUHBKIISOWBHJZ-UHFFFAOYSA-N 0 0 336.178 4.131 50 0 EIAARN CCOc1ccc(OCC)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000017334740 564011704 /nfs/dbraw/zinc/01/17/04/564011704.db2.gz HATFBFIXEFBUEO-UHFFFAOYSA-N 0 0 343.467 4.183 50 0 EIAARN Cc1nn(-c2ccc(C(=O)N3CCC(C)CC3)cc2)c(C)c1Cl ZINC000017355508 564011736 /nfs/dbraw/zinc/01/17/36/564011736.db2.gz XXHQDBXINAWZEN-UHFFFAOYSA-N 0 0 331.847 4.015 50 0 EIAARN COc1cccc(CNc2ccc(Br)c(C)c2)c1OC ZINC000000263189 564012300 /nfs/dbraw/zinc/01/23/00/564012300.db2.gz XEWRAZKWTVVWOU-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN COc1ccc(CNc2ccc(C)cc2Br)cc1OC ZINC000000293472 564012320 /nfs/dbraw/zinc/01/23/20/564012320.db2.gz LSGSVYPQKBZSHJ-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN COc1cc(CNc2ccc(Br)cc2C)cc(OC)c1 ZINC000000293260 564012335 /nfs/dbraw/zinc/01/23/35/564012335.db2.gz HBXCOXDFXRCEKL-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN COc1ccc(Br)cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000000316589 564012400 /nfs/dbraw/zinc/01/24/00/564012400.db2.gz MRXSIDUWZANXNL-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000000434891 564012582 /nfs/dbraw/zinc/01/25/82/564012582.db2.gz OZBQDKIFIYHBDV-UHFFFAOYSA-N 0 0 346.386 4.200 50 0 EIAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(F)cc1 ZINC000096759031 564013062 /nfs/dbraw/zinc/01/30/62/564013062.db2.gz KERRMDWCKPGUPI-UKTHLTGXSA-N 0 0 326.396 4.158 50 0 EIAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCc1ccco1 ZINC000017910175 564013240 /nfs/dbraw/zinc/01/32/40/564013240.db2.gz AALODODXFAMUEJ-UHFFFAOYSA-N 0 0 344.414 4.260 50 0 EIAARN CCCOc1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000002975180 564013488 /nfs/dbraw/zinc/01/34/88/564013488.db2.gz XQQJBTZNCIOGMY-UHFFFAOYSA-N 0 0 334.213 4.490 50 0 EIAARN Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c2ccccc2n1 ZINC000007989303 564013614 /nfs/dbraw/zinc/01/36/14/564013614.db2.gz QWMMCNPBTUSIDT-LBPRGKRZSA-N 0 0 326.346 4.312 50 0 EIAARN CCc1cccc(N(C#N)Cc2coc(-c3ccc(OC)cc3)n2)c1 ZINC000177089805 564013705 /nfs/dbraw/zinc/01/37/05/564013705.db2.gz XFVRDUPTWPCYBG-UHFFFAOYSA-N 0 0 333.391 4.400 50 0 EIAARN O=C(Nc1ccncc1F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000189641300 564016046 /nfs/dbraw/zinc/01/60/46/564016046.db2.gz ITIZZXBGKFKNFP-UHFFFAOYSA-N 0 0 342.267 4.049 50 0 EIAARN CCOc1ccc2[nH]c(SCC(=O)c3ccc(F)cc3)nc2c1 ZINC000008310863 564016103 /nfs/dbraw/zinc/01/61/03/564016103.db2.gz RDHGHYMOKLJVIJ-UHFFFAOYSA-N 0 0 330.384 4.076 50 0 EIAARN C[C@H]1CCCN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)C1 ZINC000169680772 564017174 /nfs/dbraw/zinc/01/71/74/564017174.db2.gz WHXMWXGPFQEMKH-JBMMNVDBSA-N 0 0 347.462 4.171 50 0 EIAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)c1ccco1 ZINC000000490792 564017568 /nfs/dbraw/zinc/01/75/68/564017568.db2.gz DYKCZLJVTLXZCR-UHFFFAOYSA-N 0 0 332.311 4.272 50 0 biogenic EIAARN CC(=O)Nc1ccc(CC(=O)Oc2ccc(C(C)(C)C)cc2C)cc1 ZINC000018119420 564018228 /nfs/dbraw/zinc/01/82/28/564018228.db2.gz QOVZXEQRTPUJHS-UHFFFAOYSA-N 0 0 339.435 4.399 50 0 EIAARN CC(C)C[C@@H](NC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000018131192 564018346 /nfs/dbraw/zinc/01/83/46/564018346.db2.gz QXURKCDPPKSCTK-MRXNPFEDSA-N 0 0 347.256 4.361 50 0 EIAARN COc1ccc(N2C(=O)[C@@H]3CC4=C(CCCC4(C)C)C[C@@H]3C2=O)cc1 ZINC000018128653 564018351 /nfs/dbraw/zinc/01/83/51/564018351.db2.gz KRACRVVHXOTNTQ-DLBZAZTESA-N 0 0 339.435 4.101 50 0 biogenic EIAARN CC(=O)c1c(NC(=O)c2ccccc2)nc(-c2ccccc2)[nH]c1=S ZINC000018193254 564018640 /nfs/dbraw/zinc/01/86/40/564018640.db2.gz RKNWDNVKVPSWCW-UHFFFAOYSA-N 0 0 349.415 4.261 50 0 EIAARN CC[C@@H](C)Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000018202650 564018769 /nfs/dbraw/zinc/01/87/69/564018769.db2.gz YODZFVHETPEETC-SECBINFHSA-N 0 0 334.832 4.065 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1CCCC1 ZINC000005689320 564018804 /nfs/dbraw/zinc/01/88/04/564018804.db2.gz KXWKONFGCBIEIH-UHFFFAOYSA-N 0 0 326.362 4.434 50 0 EIAARN Clc1ccc(CN(Cc2ccccc2)c2ncnc3nc[nH]c32)cc1 ZINC000018275927 564019127 /nfs/dbraw/zinc/01/91/27/564019127.db2.gz XRJAFPONNKQNLV-UHFFFAOYSA-N 0 0 349.825 4.213 50 0 EIAARN CC(=O)Nc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1C ZINC000012843536 564019261 /nfs/dbraw/zinc/01/92/61/564019261.db2.gz RCDDUCLENFIBPB-UHFFFAOYSA-N 0 0 326.440 4.108 50 0 EIAARN Cc1cc(=O)oc(C)c1C(=O)Nc1ccccc1SC(F)(F)F ZINC000000507637 564019743 /nfs/dbraw/zinc/01/97/43/564019743.db2.gz FJXIPXIRAOZVFY-UHFFFAOYSA-N 0 0 343.326 4.121 50 0 EIAARN CCC[C@H]1C[C@](C)(c2csc(Nc3ccccc3OC)n2)OC1=O ZINC000000518491 564020514 /nfs/dbraw/zinc/02/05/14/564020514.db2.gz WSDGNMGDWQSZKD-KPZWWZAWSA-N 0 0 346.452 4.474 50 0 biogenic EIAARN CC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1C ZINC000013956557 564020752 /nfs/dbraw/zinc/02/07/52/564020752.db2.gz YFOGJSUFLNJFKZ-UHFFFAOYSA-N 0 0 326.440 4.108 50 0 EIAARN COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)cc1 ZINC000000525793 564021256 /nfs/dbraw/zinc/02/12/56/564021256.db2.gz MFPKKSWIBKONEN-SJORKVTESA-N 0 0 340.814 4.086 50 0 EIAARN O=C(Nc1ncnc2sc3c(c21)CCCC3)c1ccc(Cl)cc1 ZINC000000527594 564021276 /nfs/dbraw/zinc/02/12/76/564021276.db2.gz OGGAXNWJVYIFGT-UHFFFAOYSA-N 0 0 343.839 4.476 50 0 EIAARN CCOc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2)cc1 ZINC000000528205 564021351 /nfs/dbraw/zinc/02/13/51/564021351.db2.gz VYXMYKLGALMOPK-RTBURBONSA-N 0 0 334.423 4.132 50 0 EIAARN COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000000528616 564021376 /nfs/dbraw/zinc/02/13/76/564021376.db2.gz ZDAZOEZZDSVHGK-UHFFFAOYSA-N 0 0 327.714 4.202 50 0 EIAARN O=C(/C=C/c1ccc(SC(F)(F)F)cc1)Nc1nccs1 ZINC000014105018 564021492 /nfs/dbraw/zinc/02/14/92/564021492.db2.gz CSRJKSRSHMEISG-ZZXKWVIFSA-N 0 0 330.356 4.407 50 0 EIAARN CCCn1c2ccccc2nc1NCc1cc(OC)ccc1OC ZINC000000531422 564021630 /nfs/dbraw/zinc/02/16/30/564021630.db2.gz OOTUNTOVVJLPRW-UHFFFAOYSA-N 0 0 325.412 4.076 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)cc1 ZINC000000539728 564022325 /nfs/dbraw/zinc/02/23/25/564022325.db2.gz XZALIXSEDICSQV-LBPRGKRZSA-N 0 0 343.448 4.302 50 0 EIAARN O/N=c1\oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 ZINC000103465372 564022469 /nfs/dbraw/zinc/02/24/69/564022469.db2.gz RJCPRRWHWXOPMI-VZCXRCSSSA-N 0 0 325.408 4.239 50 0 EIAARN COc1ccc(-c2nc3nc4ccccc4nc3n2CC(C)C)cc1 ZINC000000541742 564022490 /nfs/dbraw/zinc/02/24/90/564022490.db2.gz GOHFBAPDXDPSGN-UHFFFAOYSA-N 0 0 332.407 4.311 50 0 EIAARN CCc1nc2ccccc2n1C[C@H](O)COc1cc(C)ccc1Cl ZINC000000549694 564022902 /nfs/dbraw/zinc/02/29/02/564022902.db2.gz VNHGTXZRTKLTAX-AWEZNQCLSA-N 0 0 344.842 4.000 50 0 EIAARN Cc1cc(OCC(=O)Nc2cccc3cccnc32)ccc1Cl ZINC000000556630 564023141 /nfs/dbraw/zinc/02/31/41/564023141.db2.gz QLUMSWSJQPVUMX-UHFFFAOYSA-N 0 0 326.783 4.214 50 0 EIAARN Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000000571568 564023806 /nfs/dbraw/zinc/02/38/06/564023806.db2.gz SADLNGAUBFVBPP-UHFFFAOYSA-N 0 0 344.263 4.268 50 0 EIAARN O=S(=O)([N-]c1ccccc1SCC(F)(F)F)c1ccccc1 ZINC000014849611 564023840 /nfs/dbraw/zinc/02/38/40/564023840.db2.gz UWICTHRGSGRQJA-UHFFFAOYSA-N 0 0 347.383 4.142 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000014796901 564023884 /nfs/dbraw/zinc/02/38/84/564023884.db2.gz XYMRCVQXPRUIAT-UHFFFAOYSA-N 0 0 327.334 4.020 50 0 EIAARN CCN(C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1 ZINC000000573747 564024014 /nfs/dbraw/zinc/02/40/14/564024014.db2.gz WSKIZQMRENKHOK-UHFFFAOYSA-N 0 0 346.430 4.287 50 0 EIAARN COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015538944 564024283 /nfs/dbraw/zinc/02/42/83/564024283.db2.gz SGAQSDUZTRPFNM-CDXDBMBRSA-N 0 0 337.419 4.081 50 0 EIAARN CN(Cc1ccc(Br)o1)C(=O)CCCc1ccccc1 ZINC000046788041 564025396 /nfs/dbraw/zinc/02/53/96/564025396.db2.gz VTZVDXRYCBLEJM-UHFFFAOYSA-N 0 0 336.229 4.023 50 0 EIAARN Cn1cc(-c2nc(CSc3nc4ccccc4s3)cs2)cn1 ZINC000047171242 564025844 /nfs/dbraw/zinc/02/58/44/564025844.db2.gz XMTJKPDOXJHNCT-UHFFFAOYSA-N 0 0 344.490 4.446 50 0 EIAARN Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)on1 ZINC000047287629 564026023 /nfs/dbraw/zinc/02/60/23/564026023.db2.gz KFOWZXKCOQGPLG-CQSZACIVSA-N 0 0 330.453 4.291 50 0 EIAARN O=C1CC2(CCCCC2)C(=O)N1Cc1csc(C2CCCCC2)n1 ZINC000047354189 564026155 /nfs/dbraw/zinc/02/61/55/564026155.db2.gz LCVDUABRQLTPHO-UHFFFAOYSA-N 0 0 346.496 4.400 50 0 EIAARN CCN(C(=O)Nc1cccc(NC(C)=O)c1)[C@H](C)c1ccc(F)cc1 ZINC000047388893 564026213 /nfs/dbraw/zinc/02/62/13/564026213.db2.gz SFLLQVMZEZHVIX-CYBMUJFWSA-N 0 0 343.402 4.399 50 0 EIAARN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc2c(c1)CCC2 ZINC000047515353 564026386 /nfs/dbraw/zinc/02/63/86/564026386.db2.gz GJSSDGQIEQKCKQ-UHFFFAOYSA-N 0 0 349.434 4.055 50 0 EIAARN COC(=O)Nc1ccc(NC(=O)N2CCc3sccc3[C@@H]2C)cc1 ZINC000047584179 564026495 /nfs/dbraw/zinc/02/64/95/564026495.db2.gz MISFAEIEUXGVLP-NSHDSACASA-N 0 0 345.424 4.078 50 0 EIAARN Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)s1 ZINC000044869418 564027226 /nfs/dbraw/zinc/02/72/26/564027226.db2.gz NHRABBPZDHGAJJ-JTQLQIEISA-N 0 0 331.466 4.203 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1noc2ccccc21 ZINC000044907386 564027678 /nfs/dbraw/zinc/02/76/78/564027678.db2.gz JWGHMLBTNAEHGP-ZDUSSCGKSA-N 0 0 334.375 4.336 50 0 EIAARN Fc1cccc([C@H]2CCCN2Cc2csc(-c3ncccn3)n2)c1 ZINC000044976915 564028048 /nfs/dbraw/zinc/02/80/48/564028048.db2.gz MQAONWXSNZURSS-MRXNPFEDSA-N 0 0 340.427 4.076 50 0 EIAARN COc1ccc(CCn2c3ccc(C)cc3c3c2CCN(C)C3)cc1 ZINC000045336254 564028404 /nfs/dbraw/zinc/02/84/04/564028404.db2.gz IJQSFAYWVZPICY-UHFFFAOYSA-N 0 0 334.463 4.189 50 0 EIAARN COC(=O)CSc1nc2ccccc2n1C/C=C\c1ccccc1 ZINC000108732853 564028464 /nfs/dbraw/zinc/02/84/64/564028464.db2.gz SBEIELNCRCHCII-YFHOEESVSA-N 0 0 338.432 4.015 50 0 EIAARN CC(C)COC(=O)c1nc2ccccc2nc1NCc1cccs1 ZINC000045901732 564028843 /nfs/dbraw/zinc/02/88/43/564028843.db2.gz LSUDEGYDOFDODQ-UHFFFAOYSA-N 0 0 341.436 4.116 50 0 EIAARN CCCCOC(=O)c1nc2ccccc2nc1NCCc1ccccc1 ZINC000045901552 564028845 /nfs/dbraw/zinc/02/88/45/564028845.db2.gz AQABVBSHSRZHDR-UHFFFAOYSA-N 0 0 349.434 4.241 50 0 EIAARN O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2)C1c1ccccc1 ZINC000045942686 564028980 /nfs/dbraw/zinc/02/89/80/564028980.db2.gz ZKGCRNRUJUENMH-HXUWFJFHSA-N 0 0 342.398 4.134 50 0 EIAARN COC(=O)Nc1cccc(NC(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000047711646 564029682 /nfs/dbraw/zinc/02/96/82/564029682.db2.gz MELOKDQHGZWIMB-NSHDSACASA-N 0 0 345.424 4.078 50 0 EIAARN O=C(NCc1ccc(Cl)cc1)Nc1cccc(OC(F)F)c1 ZINC000047908078 564029767 /nfs/dbraw/zinc/02/97/67/564029767.db2.gz IIJPEGNOIBCVKC-UHFFFAOYSA-N 0 0 326.730 4.263 50 0 EIAARN CC[C@@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)c1ccccc1 ZINC000048202644 564030016 /nfs/dbraw/zinc/03/00/16/564030016.db2.gz YJJFADSNILVQSE-GOSISDBHSA-N 0 0 333.391 4.401 50 0 EIAARN O=C(Nc1ccc2ccccc2n1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000048234495 564030091 /nfs/dbraw/zinc/03/00/91/564030091.db2.gz FAWFWRSSDQHDFG-UHFFFAOYSA-N 0 0 346.415 4.335 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)o1 ZINC000048236892 564030188 /nfs/dbraw/zinc/03/01/88/564030188.db2.gz HBDRSQDHBKFAQO-PBHICJAKSA-N 0 0 337.423 4.009 50 0 EIAARN Cc1cc2[nH]c(C(=O)OCc3cn4cccc(C)c4n3)cc2c(C)c1 ZINC000048264992 564030372 /nfs/dbraw/zinc/03/03/72/564030372.db2.gz WCYJOQLPBRXPAA-UHFFFAOYSA-N 0 0 333.391 4.098 50 0 EIAARN COc1ccccc1NC(=O)NCc1cc2cc(F)ccc2s1 ZINC000048303359 564030671 /nfs/dbraw/zinc/03/06/71/564030671.db2.gz YJVWUCOHKWDVCU-UHFFFAOYSA-N 0 0 330.384 4.371 50 0 EIAARN CC(C)(C)C(=O)CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000048309879 564030760 /nfs/dbraw/zinc/03/07/60/564030760.db2.gz RIAZMDGJSLZKLP-UHFFFAOYSA-N 0 0 328.359 4.356 50 0 EIAARN CCCc1noc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000048302945 564030877 /nfs/dbraw/zinc/03/08/77/564030877.db2.gz NQTQZFCEECYPLY-IBGZPJMESA-N 0 0 333.435 4.170 50 0 EIAARN COc1cc([C@H](C)NC(=O)[C@H]2C[C@H]2C)ccc1OCc1ccccc1 ZINC000048354814 564031310 /nfs/dbraw/zinc/03/13/10/564031310.db2.gz XDHQWOVMKLHIBX-VKJFTORMSA-N 0 0 339.435 4.107 50 0 EIAARN CC(C)n1cnnc1SCC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000048356154 564031399 /nfs/dbraw/zinc/03/13/99/564031399.db2.gz QMQPNLSSNGPGFQ-UHFFFAOYSA-N 0 0 349.459 4.405 50 0 EIAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(F)cc1F ZINC000048417490 564031727 /nfs/dbraw/zinc/03/17/27/564031727.db2.gz BEEWVWWMJSMOSC-YRNVUSSQSA-N 0 0 344.748 4.272 50 0 EIAARN CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1c[nH]c2ccccc12 ZINC000048463846 564031879 /nfs/dbraw/zinc/03/18/79/564031879.db2.gz CCELYGPUOJLGKQ-OAHLLOKOSA-N 0 0 336.435 4.375 50 0 EIAARN Cc1cc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)n(C)n1 ZINC000062922900 564031968 /nfs/dbraw/zinc/03/19/68/564031968.db2.gz AOYVVOVJHBDWQI-KDOFPFPSSA-N 0 0 341.455 4.076 50 0 EIAARN Cc1cc(C)n2cc(CSc3cc(C)c4ccccc4n3)nc2n1 ZINC000048655595 564031998 /nfs/dbraw/zinc/03/19/98/564031998.db2.gz ITSSAPJORNDMPT-UHFFFAOYSA-N 0 0 334.448 4.495 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1cccc(F)c1 ZINC000005406314 564032116 /nfs/dbraw/zinc/03/21/16/564032116.db2.gz NNUFOBAKEFRRMZ-MDZDMXLPSA-N 0 0 326.396 4.107 50 0 EIAARN O=C(c1ccc(F)c(F)c1)N1CCC[C@H](COCc2ccccc2)C1 ZINC000049031504 564032461 /nfs/dbraw/zinc/03/24/61/564032461.db2.gz QIMLAMRGEHTBRT-INIZCTEOSA-N 0 0 345.389 4.034 50 0 EIAARN O=C(/C=C/c1cccs1)N1CCC[C@H](COCc2ccccc2)C1 ZINC000049031467 564032467 /nfs/dbraw/zinc/03/24/67/564032467.db2.gz QWJLWWOPPWAIPX-ZGKFYVQTSA-N 0 0 341.476 4.217 50 0 EIAARN Cc1cc(F)ccc1CNc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000181822624 564032472 /nfs/dbraw/zinc/03/24/72/564032472.db2.gz RWKAJMDBDZYYTA-UHFFFAOYSA-N 0 0 340.320 4.038 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)Nc2ccc(OC)cc2)c1C ZINC000113554396 564032856 /nfs/dbraw/zinc/03/28/56/564032856.db2.gz JXBCWCURDDDQJL-UHFFFAOYSA-N 0 0 341.411 4.386 50 0 EIAARN Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000006767140 564033491 /nfs/dbraw/zinc/03/34/91/564033491.db2.gz ZXRRWQNBWSBKQY-KRWDZBQOSA-N 0 0 346.430 4.279 50 0 EIAARN O=C(CCSc1ccccc1)Nc1nc(-c2ccncc2)cs1 ZINC000000755252 564034149 /nfs/dbraw/zinc/03/41/49/564034149.db2.gz AHKSNINVAOSWIA-UHFFFAOYSA-N 0 0 341.461 4.326 50 0 EIAARN COc1ccc(OC)c([C@@H]2CCCN2c2ncnc3sccc32)c1 ZINC000007470173 564034362 /nfs/dbraw/zinc/03/43/62/564034362.db2.gz IUSCJWKFNZCTHX-HNNXBMFYSA-N 0 0 341.436 4.050 50 0 EIAARN S=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)NC1CC1 ZINC000007530462 564034369 /nfs/dbraw/zinc/03/43/69/564034369.db2.gz TYJYXKYGYDYRGQ-UHFFFAOYSA-N 0 0 339.489 4.336 50 0 EIAARN COc1cc(NC(=O)c2csc(-c3ccccc3)n2)cc(OC)c1 ZINC000008060889 564034671 /nfs/dbraw/zinc/03/46/71/564034671.db2.gz JZUDSFHDUHGWHA-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN Cc1sc(CC(=O)NCc2ccccc2)nc1-c1ccc(F)cc1 ZINC000008103361 564034707 /nfs/dbraw/zinc/03/47/07/564034707.db2.gz IFZDQXXVVPSFCU-UHFFFAOYSA-N 0 0 340.423 4.117 50 0 EIAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000008118302 564034807 /nfs/dbraw/zinc/03/48/07/564034807.db2.gz TUVCFJAMYCSZEI-CYBMUJFWSA-N 0 0 348.368 4.091 50 0 EIAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000008117244 564034826 /nfs/dbraw/zinc/03/48/26/564034826.db2.gz JAYPFSGOCDKQGT-UHFFFAOYSA-N 0 0 349.217 4.138 50 0 EIAARN O=C(CCCCCn1cccc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000604404893 564034846 /nfs/dbraw/zinc/03/48/46/564034846.db2.gz INRIQHQGQZZPHG-UHFFFAOYSA-N 0 0 335.451 4.115 50 0 EIAARN COc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c(OC)c1 ZINC000000817739 564035002 /nfs/dbraw/zinc/03/50/02/564035002.db2.gz MHUSQFUDTXFACO-HXUWFJFHSA-N 0 0 335.407 4.157 50 0 EIAARN Cn1ccnc1CN(C(=O)c1ccc(-c2cccc(F)c2)cc1)C1CC1 ZINC000220417395 564035905 /nfs/dbraw/zinc/03/59/05/564035905.db2.gz OZCGQIOMXHGUIU-UHFFFAOYSA-N 0 0 349.409 4.031 50 0 EIAARN Cc1nc(SCC(=O)N[C@H](C)c2ccccc2C)n(C2CC2)c1C ZINC000032894144 564036260 /nfs/dbraw/zinc/03/62/60/564036260.db2.gz KAAHECSHUZFGSQ-CQSZACIVSA-N 0 0 343.496 4.113 50 0 EIAARN CN(C(=O)c1cc(Cl)c(Cl)n1C)[C@@H]1CCCc2ccccc21 ZINC000032968981 564036336 /nfs/dbraw/zinc/03/63/36/564036336.db2.gz DQBQWBQDLZCDSR-CQSZACIVSA-N 0 0 337.250 4.482 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(C(=O)N4CCCC4)c3)no2)s1 ZINC000032996617 564036411 /nfs/dbraw/zinc/03/64/11/564036411.db2.gz QTXLZDHJZUCYSW-UHFFFAOYSA-N 0 0 339.420 4.010 50 0 EIAARN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ncc(CC)s2)C1 ZINC000221860535 564036487 /nfs/dbraw/zinc/03/64/87/564036487.db2.gz TVHKJWNROUUXJB-SGMGOOAPSA-N 0 0 341.546 4.082 50 0 EIAARN CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ncc(CC)s2)C1 ZINC000221860462 564036501 /nfs/dbraw/zinc/03/65/01/564036501.db2.gz TVHKJWNROUUXJB-OUCADQQQSA-N 0 0 341.546 4.082 50 0 EIAARN CCc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)no1 ZINC000033254197 564036569 /nfs/dbraw/zinc/03/65/69/564036569.db2.gz OGWGXJQHMBAYAD-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN CC(C)NC(=O)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 ZINC000033257480 564036612 /nfs/dbraw/zinc/03/66/12/564036612.db2.gz ZLVUGQMNFKTEGG-UHFFFAOYSA-N 0 0 340.358 4.073 50 0 EIAARN CC(C)(C)n1ccc(C(=O)N2CCCC[C@H]2CCc2ccccn2)c1 ZINC000222782831 564037783 /nfs/dbraw/zinc/03/77/83/564037783.db2.gz WOJLHJBNDJIBPF-IBGZPJMESA-N 0 0 339.483 4.266 50 0 EIAARN CC(C)(C)n1ccc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)c1 ZINC000222782761 564037804 /nfs/dbraw/zinc/03/78/04/564037804.db2.gz WOJLHJBNDJIBPF-LJQANCHMSA-N 0 0 339.483 4.266 50 0 EIAARN CC(C)n1ccnc1CNC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000223037607 564038800 /nfs/dbraw/zinc/03/88/00/564038800.db2.gz UPEPDIZQZGZWHN-UHFFFAOYSA-N 0 0 345.752 4.066 50 0 EIAARN CC(C)n1cccc1C(=O)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000223398244 564039792 /nfs/dbraw/zinc/03/97/92/564039792.db2.gz MUHYJBKXWPOXIK-SFHVURJKSA-N 0 0 340.467 4.402 50 0 EIAARN C[C@@H](NCc1ncc(Cl)s1)c1ccc(Br)cc1 ZINC000225296071 564045687 /nfs/dbraw/zinc/04/56/87/564045687.db2.gz SSEAQLLEASYIRB-MRVPVSSYSA-N 0 0 331.666 4.410 50 0 EIAARN CCC[C@](C)(CC)C(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000225416403 564046556 /nfs/dbraw/zinc/04/65/56/564046556.db2.gz WPHPJJICQRJWME-IBGZPJMESA-N 0 0 329.444 4.154 50 0 EIAARN CO[C@H]1CCCCC[C@@H]1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000225453860 564046918 /nfs/dbraw/zinc/04/69/18/564046918.db2.gz SHMPGOQNHITHRM-HOTGVXAUSA-N 0 0 346.452 4.013 50 0 EIAARN CC(C)Sc1ccc(Cl)cc1NC(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000225611205 564048386 /nfs/dbraw/zinc/04/83/86/564048386.db2.gz OPNICSCHHDIKLB-SMDDNHRTSA-N 0 0 342.892 4.075 50 0 EIAARN CC[C@@H](NC(=O)N1CCCC[C@@H]1c1nccn1CC)c1cccs1 ZINC000239637132 564051643 /nfs/dbraw/zinc/05/16/43/564051643.db2.gz BJADIHHUXHXIOK-HUUCEWRRSA-N 0 0 346.500 4.352 50 0 EIAARN Cc1ccc(C(C)(C)NC(=O)c2ccc(F)cc2C(F)(F)F)cn1 ZINC000240555659 564051798 /nfs/dbraw/zinc/05/17/98/564051798.db2.gz GWZQHQXSFRXCJC-UHFFFAOYSA-N 0 0 340.320 4.213 50 0 EIAARN CN(C(=O)c1cc(F)cc2cccnc21)c1cccc2ncccc21 ZINC000241587875 564052048 /nfs/dbraw/zinc/05/20/48/564052048.db2.gz OXUBUFODUHBPSC-UHFFFAOYSA-N 0 0 331.350 4.199 50 0 EIAARN CCCC1(CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)CCC1 ZINC000241693931 564052066 /nfs/dbraw/zinc/05/20/66/564052066.db2.gz QIWZNWJDAMMHEU-UHFFFAOYSA-N 0 0 327.472 4.218 50 0 EIAARN CC[C@H](C(=O)NCC[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000225608345 564052657 /nfs/dbraw/zinc/05/26/57/564052657.db2.gz ZAKHOAQFWKPTTC-ROUUACIJSA-N 0 0 331.843 4.074 50 0 EIAARN COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1OC(F)F ZINC000025055884 564052661 /nfs/dbraw/zinc/05/26/61/564052661.db2.gz UCRVPYKGAVASJW-LBPRGKRZSA-N 0 0 335.350 4.429 50 0 EIAARN CN(C)C(=O)c1ccc(CN2CCCCC[C@@H]2c2cccc(F)c2)o1 ZINC000252485268 564053417 /nfs/dbraw/zinc/05/34/17/564053417.db2.gz GPWTTWFKKIDXRM-GOSISDBHSA-N 0 0 344.430 4.238 50 0 EIAARN CN(Cc1cc(-c2ccccc2)on1)Cc1cc(-c2cccnc2)no1 ZINC000252504255 564053558 /nfs/dbraw/zinc/05/35/58/564053558.db2.gz VIWVNUQPLGTVQD-UHFFFAOYSA-N 0 0 346.390 4.024 50 0 EIAARN c1ccc2c(c1)ncnc2NCc1ccc(OCc2cccnc2)cc1 ZINC000052187213 564053753 /nfs/dbraw/zinc/05/37/53/564053753.db2.gz TVGACOGQYCKVHK-UHFFFAOYSA-N 0 0 342.402 4.216 50 0 EIAARN COc1ccc(-c2nc(Nc3cnc(SC)nc3)sc2C)cc1 ZINC000000983701 564053883 /nfs/dbraw/zinc/05/38/83/564053883.db2.gz PDKSWFUFIKEIPO-UHFFFAOYSA-N 0 0 344.465 4.383 50 0 EIAARN Cc1ccc(OCC(=O)N2c3ccc(F)cc3CC[C@H]2C)c(C)c1 ZINC000000997553 564053915 /nfs/dbraw/zinc/05/39/15/564053915.db2.gz PYYAWGIWWYJBNR-OAHLLOKOSA-N 0 0 327.399 4.189 50 0 EIAARN COc1cc(F)ccc1NC(=O)CCC(=O)c1cc(C)sc1C ZINC000025311651 564054107 /nfs/dbraw/zinc/05/41/07/564054107.db2.gz AHNHSGUFTOENAR-UHFFFAOYSA-N 0 0 335.400 4.114 50 0 EIAARN CC(C)c1noc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000025461169 564054462 /nfs/dbraw/zinc/05/44/62/564054462.db2.gz YDBKQVLHMDIBOQ-LJQANCHMSA-N 0 0 333.435 4.341 50 0 EIAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@@](C)(O)C[C@@]12C ZINC000257357095 564055946 /nfs/dbraw/zinc/05/59/46/564055946.db2.gz LZCICCXBBYHFCF-MXLVAXEKSA-N 0 0 346.511 4.164 50 0 EIAARN Cc1ccccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000005815820 564056024 /nfs/dbraw/zinc/05/60/24/564056024.db2.gz XCOKWQNMHNCHLH-HNNXBMFYSA-N 0 0 346.839 4.090 50 0 EIAARN COc1ccc(CCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001200306 564056431 /nfs/dbraw/zinc/05/64/31/564056431.db2.gz LMIOQAXCVIVRCE-UHFFFAOYSA-N 0 0 338.234 4.251 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2Cl)o1 ZINC000005824429 564056519 /nfs/dbraw/zinc/05/65/19/564056519.db2.gz MGCOZMNKPOIPFA-UHFFFAOYSA-N 0 0 343.814 4.008 50 0 EIAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1F ZINC000005862059 564056702 /nfs/dbraw/zinc/05/67/02/564056702.db2.gz XWSXRWOFKLVRPU-MRVPVSSYSA-N 0 0 329.705 4.163 50 0 EIAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccccc3F)nc2c1 ZINC000005927857 564057021 /nfs/dbraw/zinc/05/70/21/564057021.db2.gz SNNOOHYVJWETAJ-LLVKDONJSA-N 0 0 329.400 4.130 50 0 EIAARN COc1ccccc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000005965355 564057346 /nfs/dbraw/zinc/05/73/46/564057346.db2.gz FKCQNYRZPJJPIC-OAHLLOKOSA-N 0 0 335.403 4.105 50 0 EIAARN COc1cccc2c1Oc1nc(-c3ccc(F)cc3)[nH]c(=S)c1C2 ZINC000006009493 564057568 /nfs/dbraw/zinc/05/75/68/564057568.db2.gz KYZQARSJTNWGBG-UHFFFAOYSA-N 0 0 340.379 4.277 50 0 EIAARN O=c1ccc2ccc(OCc3nc4ccccc4n3C(F)F)cc2o1 ZINC000031640389 564057880 /nfs/dbraw/zinc/05/78/80/564057880.db2.gz GWROTRJSVDJHSZ-UHFFFAOYSA-N 0 0 342.301 4.117 50 0 EIAARN O=C(c1ccc(Cl)cc1F)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000183803663 564057904 /nfs/dbraw/zinc/05/79/04/564057904.db2.gz YYPGJJIFWMHLGP-SNVBAGLBSA-N 0 0 329.758 4.200 50 0 EIAARN C[C@@H]1CCc2c(sc3[nH]c(SCc4ccccc4)nc(=O)c23)C1 ZINC000001973095 564058104 /nfs/dbraw/zinc/05/81/04/564058104.db2.gz IAYGBZPVLNPCMG-LLVKDONJSA-N 0 0 342.489 4.402 50 0 EIAARN Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000012544345 564058820 /nfs/dbraw/zinc/05/88/20/564058820.db2.gz LKQMNGJUSABYFJ-LBPRGKRZSA-N 0 0 329.350 4.231 50 0 EIAARN O=C(OCc1cc(-c2ccccc2)on1)c1c[nH]nc1-c1ccccc1 ZINC000012548242 564058971 /nfs/dbraw/zinc/05/89/71/564058971.db2.gz TVWMNMYYLSMYRF-UHFFFAOYSA-N 0 0 345.358 4.089 50 0 EIAARN COc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)c(OC)c1 ZINC000003292131 564059093 /nfs/dbraw/zinc/05/90/93/564059093.db2.gz FCJSZBGISNYYTH-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN COc1ccccc1CN(C)C(=O)Cc1c(C)nc2ccccc2c1C ZINC000012550791 564059154 /nfs/dbraw/zinc/05/91/54/564059154.db2.gz HMPPIZWWHIFIQU-UHFFFAOYSA-N 0 0 348.446 4.061 50 0 EIAARN Cc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 ZINC000012556271 564059364 /nfs/dbraw/zinc/05/93/64/564059364.db2.gz KKHIMIYJHTVSDY-UHFFFAOYSA-N 0 0 327.384 4.235 50 0 EIAARN CCc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000012556278 564059376 /nfs/dbraw/zinc/05/93/76/564059376.db2.gz UNBIFQHKFHOUQP-UHFFFAOYSA-N 0 0 341.411 4.489 50 0 EIAARN CC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c2c(C)cc(C)nn12 ZINC000012559979 564059449 /nfs/dbraw/zinc/05/94/49/564059449.db2.gz LSFVOKFYFZIKOP-CQSZACIVSA-N 0 0 325.437 4.083 50 0 EIAARN O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCC(F)(F)F ZINC000044225885 564059826 /nfs/dbraw/zinc/05/98/26/564059826.db2.gz IQJIFCUXSWVJBA-UHFFFAOYSA-N 0 0 341.304 4.229 50 0 EIAARN Cc1cc(-n2c(C)cc(C(=O)COc3cccc(Cl)c3)c2C)no1 ZINC000003516084 564059891 /nfs/dbraw/zinc/05/98/91/564059891.db2.gz AUGAULJZFBLKLL-UHFFFAOYSA-N 0 0 344.798 4.306 50 0 EIAARN O=C(Nc1ccccc1Cn1cccn1)N[C@H]1CCCc2ccccc21 ZINC000044268481 564059895 /nfs/dbraw/zinc/05/98/95/564059895.db2.gz XHFRLXGXZDJDGY-FQEVSTJZSA-N 0 0 346.434 4.131 50 0 EIAARN CC(=O)c1c(F)cccc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000012582642 564060115 /nfs/dbraw/zinc/06/01/15/564060115.db2.gz DURSXWVBYSANCR-AWEZNQCLSA-N 0 0 337.398 4.289 50 0 EIAARN Cc1cc(C)cc(NC(=O)COc2cccc3c2OC(C)(C)C3)c1 ZINC000015281093 564060341 /nfs/dbraw/zinc/06/03/41/564060341.db2.gz UXIQQNLHXTXISV-UHFFFAOYSA-N 0 0 325.408 4.034 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(C)c3)o2)cs1 ZINC000012619268 564060685 /nfs/dbraw/zinc/06/06/85/564060685.db2.gz DPFGFXGKQFBQIB-UHFFFAOYSA-N 0 0 326.421 4.258 50 0 EIAARN COCC[C@@H]1CCCCN1C(=O)NCc1cccc(Cl)c1Cl ZINC000534591491 564061215 /nfs/dbraw/zinc/06/12/15/564061215.db2.gz SXBSAQNHOHWTBW-ZDUSSCGKSA-N 0 0 345.270 4.094 50 0 EIAARN O=C(NC[C@H](c1ccccc1)C1CCCC1)N1CC(c2ccncc2)C1 ZINC000534637353 564061364 /nfs/dbraw/zinc/06/13/64/564061364.db2.gz BKQNSRJHGDIQQK-OAQYLSRUSA-N 0 0 349.478 4.164 50 0 EIAARN CCCC[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccnc1 ZINC000534654332 564061459 /nfs/dbraw/zinc/06/14/59/564061459.db2.gz FUHADAVOGVVDDH-SFHVURJKSA-N 0 0 332.394 4.340 50 0 EIAARN CCCN(CC1CC1)C(=O)c1ccc(-c2cc(OC)ccc2O)cc1 ZINC000534664671 564061540 /nfs/dbraw/zinc/06/15/40/564061540.db2.gz VDPQDOPIFOCGGJ-UHFFFAOYSA-N 0 0 339.435 4.330 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2Cl)ccc1N1CCCCC1=O ZINC000005441316 564062449 /nfs/dbraw/zinc/06/24/49/564062449.db2.gz FXSLAPBROUBROE-UHFFFAOYSA-N 0 0 342.826 4.418 50 0 EIAARN CCCCc1nc2ccccc2n1CC(=O)N(CC)Cc1ccccc1 ZINC000012657369 564062491 /nfs/dbraw/zinc/06/24/91/564062491.db2.gz ZYBQOXKDQYIKFT-UHFFFAOYSA-N 0 0 349.478 4.428 50 0 EIAARN CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1C ZINC000001254673 564062755 /nfs/dbraw/zinc/06/27/55/564062755.db2.gz NCDRJWVNAHAVCP-UHFFFAOYSA-N 0 0 334.419 4.170 50 0 EIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1ccco1 ZINC000001273887 564062854 /nfs/dbraw/zinc/06/28/54/564062854.db2.gz SWRLFEFDMDYGQU-UHFFFAOYSA-N 0 0 340.191 4.357 50 0 EIAARN CCn1nc(NC(=O)c2ccc(C)cc2)c2cc3cc(C)ccc3nc21 ZINC000001278277 564062868 /nfs/dbraw/zinc/06/28/68/564062868.db2.gz WMHIPZNGDVBYNU-UHFFFAOYSA-N 0 0 344.418 4.474 50 0 EIAARN CCn1nc(NC(=O)c2cccs2)c2cc3cccc(C)c3nc21 ZINC000001277941 564062875 /nfs/dbraw/zinc/06/28/75/564062875.db2.gz UJATWJDXAKTIGP-UHFFFAOYSA-N 0 0 336.420 4.227 50 0 EIAARN C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000012692894 564063281 /nfs/dbraw/zinc/06/32/81/564063281.db2.gz FFXLYHICQVUDGS-SECBINFHSA-N 0 0 340.167 4.218 50 0 EIAARN CCn1cc(CC(=O)Nc2ccnn2[C@@H](C)C2CC2)c2ccccc21 ZINC000083843381 564063606 /nfs/dbraw/zinc/06/36/06/564063606.db2.gz NISTYTGQQCXBKK-AWEZNQCLSA-N 0 0 336.439 4.010 50 0 EIAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)cc1 ZINC000001384260 564064128 /nfs/dbraw/zinc/06/41/28/564064128.db2.gz PVUDZTKHCJHHOJ-UHFFFAOYSA-N 0 0 341.720 4.386 50 0 EIAARN COc1ccc(Cc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1 ZINC000001384035 564064140 /nfs/dbraw/zinc/06/41/40/564064140.db2.gz NWKDRKIQGWRIPJ-UHFFFAOYSA-N 0 0 342.395 4.134 50 0 EIAARN Cc1ccc(SC[C@H]2CSc3nc4ccccc4c(=O)n32)cc1 ZINC000001392667 564064581 /nfs/dbraw/zinc/06/45/81/564064581.db2.gz BDKBHDYQAIPWGI-ZDUSSCGKSA-N 0 0 340.473 4.144 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2ccncc2)n1 ZINC000001397252 564064728 /nfs/dbraw/zinc/06/47/28/564064728.db2.gz AIFPXANKFYDRSD-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000083943893 564065000 /nfs/dbraw/zinc/06/50/00/564065000.db2.gz QFAWQQNGFBZYOO-AQNXPRMDSA-N 0 0 336.435 4.098 50 0 EIAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2OCC(C)C)c(C)c1 ZINC000001401767 564065047 /nfs/dbraw/zinc/06/50/47/564065047.db2.gz BRZXTJCIVUNJNF-UHFFFAOYSA-N 0 0 347.480 4.183 50 0 EIAARN Cc1ccc(-c2cc(N)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1 ZINC000001405083 564065126 /nfs/dbraw/zinc/06/51/26/564065126.db2.gz ZTIBNVCHNWKOJA-UHFFFAOYSA-N 0 0 348.431 4.259 50 0 EIAARN Cc1cc(C)n(-c2nc(-c3sccc3Br)cs2)n1 ZINC000001403932 564065160 /nfs/dbraw/zinc/06/51/60/564065160.db2.gz SSGIGGSFXXGJMI-UHFFFAOYSA-N 0 0 340.271 4.437 50 0 EIAARN Cc1cc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)no1 ZINC000012748381 564066036 /nfs/dbraw/zinc/06/60/36/564066036.db2.gz GABNSAXVBNRTLL-UHFFFAOYSA-N 0 0 341.364 4.160 50 0 EIAARN Cc1ccccc1C(=O)N(Cc1nc(-c2cccs2)no1)C(C)C ZINC000016650268 564066095 /nfs/dbraw/zinc/06/60/95/564066095.db2.gz BXOKOSLRSAXIBG-UHFFFAOYSA-N 0 0 341.436 4.157 50 0 EIAARN COc1ccc2nc(C)cc(C(=O)N3CCCc4ccccc43)c2c1 ZINC000084083283 564066266 /nfs/dbraw/zinc/06/62/66/564066266.db2.gz KYGYIWIFDJIWJZ-UHFFFAOYSA-N 0 0 332.403 4.145 50 0 EIAARN O=C(Cc1ccc(F)cc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000001424357 564066732 /nfs/dbraw/zinc/06/67/32/564066732.db2.gz TVUJNVPPOVKUSX-UHFFFAOYSA-N 0 0 336.410 4.045 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)no1 ZINC000001428891 564066865 /nfs/dbraw/zinc/06/68/65/564066865.db2.gz VYRIDIWSNSFKRY-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1C ZINC000012756342 564067250 /nfs/dbraw/zinc/06/72/50/564067250.db2.gz LEUUPOUZCIQVPF-QGZVFWFLSA-N 0 0 325.408 4.114 50 0 EIAARN O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccsc1 ZINC000012764387 564067947 /nfs/dbraw/zinc/06/79/47/564067947.db2.gz KSURBUVCSBXMEW-UHFFFAOYSA-N 0 0 336.388 4.326 50 0 EIAARN O=C(Cc1ccc2c(c1)CCC2)N(Cc1ccc(F)cc1F)C1CC1 ZINC000084452461 564068210 /nfs/dbraw/zinc/06/82/10/564068210.db2.gz MQEDWTKEUNKOPU-UHFFFAOYSA-N 0 0 341.401 4.187 50 0 EIAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H]1CC1CCCCC1 ZINC000084489881 564068235 /nfs/dbraw/zinc/06/82/35/564068235.db2.gz QECIZQREOTYUDZ-KRWDZBQOSA-N 0 0 344.455 4.425 50 0 EIAARN O=C(Nc1nc(SCc2ccccc2)ns1)c1cccc(F)c1 ZINC000012770711 564068843 /nfs/dbraw/zinc/06/88/43/564068843.db2.gz NZDBFWFZSZHCEP-UHFFFAOYSA-N 0 0 345.424 4.222 50 0 EIAARN CC(C)N(C)c1cccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000084597188 564068911 /nfs/dbraw/zinc/06/89/11/564068911.db2.gz XELYCLQJAVBNSR-QGZVFWFLSA-N 0 0 341.459 4.013 50 0 EIAARN O=C(NC[C@H](O)c1cc2ccccc2s1)c1ccccc1Cl ZINC000084595023 564068944 /nfs/dbraw/zinc/06/89/44/564068944.db2.gz BIGGWWHSLGJGCV-AWEZNQCLSA-N 0 0 331.824 4.018 50 0 EIAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=S)NCc1cccs1 ZINC000084718146 564069796 /nfs/dbraw/zinc/06/97/96/564069796.db2.gz ZTDVPVHSOJJAGK-GFCCVEGCSA-N 0 0 341.505 4.223 50 0 EIAARN O=C(Nc1nc2c(s1)CCC2)c1ccc(C2SCCS2)cc1 ZINC000015636722 564069841 /nfs/dbraw/zinc/06/98/41/564069841.db2.gz VBEUMEYSHNKGMR-UHFFFAOYSA-N 0 0 348.518 4.363 50 0 EIAARN CCCn1nccc1NC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000084759132 564070072 /nfs/dbraw/zinc/07/00/72/564070072.db2.gz RZEHKICELCSIJK-YLJYHZDGSA-N 0 0 338.455 4.226 50 0 EIAARN COc1ccc(C)cc1-n1c(SC(C)C)nc2ccccc2c1=O ZINC000012782647 564070090 /nfs/dbraw/zinc/07/00/90/564070090.db2.gz IDULNROKNFKJDD-UHFFFAOYSA-N 0 0 340.448 4.203 50 0 EIAARN CC[C@H](C)[C@@H](C(=O)Nc1cc(OC)ccc1OC)c1ccccc1 ZINC000012783947 564070137 /nfs/dbraw/zinc/07/01/37/564070137.db2.gz FCKSPBMIEYJTHA-IFXJQAMLSA-N 0 0 327.424 4.472 50 0 EIAARN CC[C@H](C)[C@H](C(=O)Nc1cc(OC)ccc1OC)c1ccccc1 ZINC000012783955 564070191 /nfs/dbraw/zinc/07/01/91/564070191.db2.gz FCKSPBMIEYJTHA-LIRRHRJNSA-N 0 0 327.424 4.472 50 0 EIAARN CCOc1ccc(NC(=O)COc2cccc(OCC(C)C)c2)cc1 ZINC000084809284 564070325 /nfs/dbraw/zinc/07/03/25/564070325.db2.gz HVGSBCPEFIZFHU-UHFFFAOYSA-N 0 0 343.423 4.138 50 0 EIAARN Cc1cccc(-c2noc(-c3cccnc3NCc3ccccn3)n2)c1 ZINC000015669973 564070437 /nfs/dbraw/zinc/07/04/37/564070437.db2.gz SWOZFDSEZUWJCT-UHFFFAOYSA-N 0 0 343.390 4.114 50 0 EIAARN COc1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1 ZINC000001439968 564070618 /nfs/dbraw/zinc/07/06/18/564070618.db2.gz TZAMEEKWDQYUQF-UHFFFAOYSA-N 0 0 341.436 4.065 50 0 EIAARN CCc1ccc(NC(=O)c2ccc(-n3cnc4cccnc43)cc2)cc1 ZINC000015681911 564070767 /nfs/dbraw/zinc/07/07/67/564070767.db2.gz LJTPMDVZMYQCGY-UHFFFAOYSA-N 0 0 342.402 4.235 50 0 EIAARN CCc1cccc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2C)c1 ZINC000015731568 564072669 /nfs/dbraw/zinc/07/26/69/564072669.db2.gz LVBOGNJNAJKJAR-UHFFFAOYSA-N 0 0 345.406 4.164 50 0 EIAARN O=C(NCc1cccc(Cl)c1)c1noc2c1CCc1sccc1-2 ZINC000015733247 564072723 /nfs/dbraw/zinc/07/27/23/564072723.db2.gz PMGJIPGNYOLFGG-UHFFFAOYSA-N 0 0 344.823 4.085 50 0 EIAARN CCOc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc(OCC)c1OCC ZINC000006047774 564072744 /nfs/dbraw/zinc/07/27/44/564072744.db2.gz UWVJZUBZQLAEFM-GJZGRUSLSA-N 0 0 349.471 4.286 50 0 EIAARN O=C(COc1cccc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000006052964 564073089 /nfs/dbraw/zinc/07/30/89/564073089.db2.gz BPQCFMYDSFMNBE-UHFFFAOYSA-N 0 0 349.386 4.019 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000005411348 564073103 /nfs/dbraw/zinc/07/31/03/564073103.db2.gz QODCZXNALAJTCO-UHFFFAOYSA-N 0 0 325.408 4.088 50 0 EIAARN COc1ccc(SCC2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000085472338 564073442 /nfs/dbraw/zinc/07/34/42/564073442.db2.gz MRYVNVKCKUWFLH-UHFFFAOYSA-N 0 0 347.505 4.401 50 0 EIAARN Cc1ccccc1OCCC(=O)OCc1nc2ccccc2s1 ZINC000006078756 564073568 /nfs/dbraw/zinc/07/35/68/564073568.db2.gz NQGSRXHSBHNBJN-UHFFFAOYSA-N 0 0 327.405 4.117 50 0 EIAARN Cc1c(C[NH2+]C(C)C)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000015776944 564073866 /nfs/dbraw/zinc/07/38/66/564073866.db2.gz QUIBCZKFAZCNLO-UHFFFAOYSA-N 0 0 334.847 4.003 50 0 EIAARN COc1cccc(-c2ocnc2C(=O)Nc2ccc(F)cc2C)c1 ZINC000015782225 564074137 /nfs/dbraw/zinc/07/41/37/564074137.db2.gz YYIDHBKPIOCTJW-UHFFFAOYSA-N 0 0 326.327 4.050 50 0 EIAARN C[C@H](NC(=O)c1ncoc1-c1cccc(Cl)c1)c1ccccc1 ZINC000015782294 564074162 /nfs/dbraw/zinc/07/41/62/564074162.db2.gz VGOAEEHUAXVKOL-LBPRGKRZSA-N 0 0 326.783 4.486 50 0 EIAARN O=C(Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1ccccc1 ZINC000001510208 564074898 /nfs/dbraw/zinc/07/48/98/564074898.db2.gz RDWUBPFAVCEULB-GXDHUFHOSA-N 0 0 341.413 4.235 50 0 EIAARN Fc1cccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1 ZINC000015823098 564075504 /nfs/dbraw/zinc/07/55/04/564075504.db2.gz QMZJKRRTPINDCU-UHFFFAOYSA-N 0 0 349.369 4.403 50 0 EIAARN Cc1ncc(CNC(=O)N([C@@H](C)c2ccccc2F)C2CC2)s1 ZINC000086371471 564075553 /nfs/dbraw/zinc/07/55/53/564075553.db2.gz VGHNFKMJJFYEFQ-NSHDSACASA-N 0 0 333.432 4.026 50 0 EIAARN CC(C)[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccncc1 ZINC000086398546 564075625 /nfs/dbraw/zinc/07/56/25/564075625.db2.gz BDQOMXVHPGSWAL-KSSFIOAISA-N 0 0 327.428 4.307 50 0 EIAARN Cc1ccc(C)c(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c1 ZINC000012859780 564075687 /nfs/dbraw/zinc/07/56/87/564075687.db2.gz KEZOBHFBNKNSQF-ZDUSSCGKSA-N 0 0 341.382 4.150 50 0 EIAARN C[C@H](NC(=O)NCCc1ccccc1)c1ccc(Br)cc1 ZINC000012860892 564075718 /nfs/dbraw/zinc/07/57/18/564075718.db2.gz WCTBRANSVLBFDP-ZDUSSCGKSA-N 0 0 347.256 4.052 50 0 EIAARN O=c1[nH]c2c(-c3cccc(F)c3)sc(=S)n2c2ccccc12 ZINC000015828614 564075744 /nfs/dbraw/zinc/07/57/44/564075744.db2.gz JHERRUOJLMUFQC-UHFFFAOYSA-N 0 0 328.393 4.378 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1C ZINC000012866056 564075837 /nfs/dbraw/zinc/07/58/37/564075837.db2.gz OXXLARJWKALBIS-CYBMUJFWSA-N 0 0 334.419 4.478 50 0 EIAARN CCOC(=O)N[C@@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002141176 564076060 /nfs/dbraw/zinc/07/60/60/564076060.db2.gz DJBVVKOPJRBXLL-VIFPVBQESA-N 0 0 347.025 4.161 50 0 EIAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1ccccc1 ZINC000012870937 564076385 /nfs/dbraw/zinc/07/63/85/564076385.db2.gz JSQWSMAXYPOLNO-UHFFFAOYSA-N 0 0 341.461 4.488 50 0 EIAARN COc1cc(OC)c(OC)cc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000015837203 564076475 /nfs/dbraw/zinc/07/64/75/564076475.db2.gz ZENDTUCTLSEFLF-QGZVFWFLSA-N 0 0 345.414 4.189 50 0 EIAARN O=C(Nc1ccccc1SCc1ccsc1)c1cnccn1 ZINC000012873762 564076588 /nfs/dbraw/zinc/07/65/88/564076588.db2.gz SAUFUDVJRDAQAM-UHFFFAOYSA-N 0 0 327.434 4.083 50 0 EIAARN Cc1ccc(CNC(=O)Cc2scnc2-c2cccs2)cc1 ZINC000015840245 564076669 /nfs/dbraw/zinc/07/66/69/564076669.db2.gz CLPKPLRMZDJTKX-UHFFFAOYSA-N 0 0 328.462 4.039 50 0 EIAARN CC(C)OC(=O)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000006151754 564076827 /nfs/dbraw/zinc/07/68/27/564076827.db2.gz ODGQAJVBSQWTGQ-UHFFFAOYSA-N 0 0 349.333 4.106 50 0 EIAARN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccco1 ZINC000015863620 564077094 /nfs/dbraw/zinc/07/70/94/564077094.db2.gz GVTJLUDRZFOUAK-UHFFFAOYSA-N 0 0 331.375 4.193 50 0 EIAARN COC(=O)[C@@]12CCCC[C@@H]1c1ccccc1N(Cc1ccccc1)C2=O ZINC000006169632 564077132 /nfs/dbraw/zinc/07/71/32/564077132.db2.gz KFMXHCOILPXXGL-GCJKJVERSA-N 0 0 349.430 4.050 50 0 EIAARN Clc1ccc(OCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000006178370 564077349 /nfs/dbraw/zinc/07/73/49/564077349.db2.gz YMHYICYZDFGUQH-UHFFFAOYSA-N 0 0 331.828 4.296 50 0 EIAARN Cc1ccc2c(C)c(CCC(=O)N(C)c3ccccc3)c(=O)oc2c1 ZINC000012887429 564077476 /nfs/dbraw/zinc/07/74/76/564077476.db2.gz ZTXMEAZGQXIVGE-UHFFFAOYSA-N 0 0 335.403 4.005 50 0 EIAARN C[C@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012887792 564077515 /nfs/dbraw/zinc/07/75/15/564077515.db2.gz KZWZZKAVSJJINW-MRXNPFEDSA-N 0 0 345.446 4.194 50 0 EIAARN C[C@@H](O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000012894802 564077595 /nfs/dbraw/zinc/07/75/95/564077595.db2.gz VWNZBPADPDNNDJ-SNVBAGLBSA-N 0 0 330.434 4.177 50 0 EIAARN CC(C)c1ccc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000012913468 564077983 /nfs/dbraw/zinc/07/79/83/564077983.db2.gz TZUBGIYRPVHHGZ-WNSKOXEYSA-N 0 0 329.465 4.086 50 0 EIAARN O=C(NCCSCc1ccsc1)Nc1cccc(Cl)c1 ZINC000012914326 564077990 /nfs/dbraw/zinc/07/79/90/564077990.db2.gz DVECHVOLWUHGIU-UHFFFAOYSA-N 0 0 326.874 4.456 50 0 EIAARN Cc1ccccc1[C@@H](C)NC(=O)CN(C)Cc1ccc2ccccc2c1 ZINC000012914614 564078034 /nfs/dbraw/zinc/07/80/34/564078034.db2.gz LQOUKCWROJXBQF-GOSISDBHSA-N 0 0 346.474 4.457 50 0 EIAARN COc1ccc([C@H]2CCCN2Cc2cc(C(C)=O)ccc2OC)cc1 ZINC000012915418 564078084 /nfs/dbraw/zinc/07/80/84/564078084.db2.gz FOUBXFLQEKTNTG-HXUWFJFHSA-N 0 0 339.435 4.244 50 0 EIAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)cc1Cl ZINC000012925020 564078493 /nfs/dbraw/zinc/07/84/93/564078493.db2.gz GQPILZGXFQTNHL-UHFFFAOYSA-N 0 0 349.217 4.138 50 0 EIAARN Cc1nc2cc(NC(=O)Cc3ccc(Br)cc3)ccc2o1 ZINC000012926210 564078540 /nfs/dbraw/zinc/07/85/40/564078540.db2.gz VHBOWOAASUGKKI-UHFFFAOYSA-N 0 0 345.196 4.080 50 0 EIAARN CCCCCCC(=O)N[C@@H](NC(C)(C)C)C(Cl)(Cl)Cl ZINC000019925273 564078675 /nfs/dbraw/zinc/07/86/75/564078675.db2.gz HCPHPNMDYMTNTH-NSHDSACASA-N 0 0 331.715 4.157 50 0 EIAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2cccnc2)[nH]n1 ZINC000074630079 564078941 /nfs/dbraw/zinc/07/89/41/564078941.db2.gz IPGFNEHZVYFPML-UHFFFAOYSA-N 0 0 333.178 4.031 50 0 EIAARN CC[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(C)cc1 ZINC000012933041 564078953 /nfs/dbraw/zinc/07/89/53/564078953.db2.gz QSPRCYNLGQEUDT-SJLPKXTDSA-N 0 0 329.827 4.219 50 0 EIAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000012935881 564079249 /nfs/dbraw/zinc/07/92/49/564079249.db2.gz XFVISXMYPPKEJF-IBGZPJMESA-N 0 0 338.451 4.088 50 0 EIAARN CSCC[C@@H](C(=O)Nc1nc2c(s1)CCCCC2)n1cccc1 ZINC000575443385 564079519 /nfs/dbraw/zinc/07/95/19/564079519.db2.gz UBQXTJLTPCZCDR-AWEZNQCLSA-N 0 0 349.525 4.146 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012942047 564079642 /nfs/dbraw/zinc/07/96/42/564079642.db2.gz DHVLVXYOEKKURT-CYBMUJFWSA-N 0 0 338.329 4.065 50 0 EIAARN CC[C@H](C)[C@@H](NC(=O)NC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000575444548 564079731 /nfs/dbraw/zinc/07/97/31/564079731.db2.gz ZCDPBUSYYQJXGD-SUMWQHHRSA-N 0 0 328.460 4.282 50 0 EIAARN CCSc1cncc(N[C@@H](C)c2ccc(-c3cncnc3)cc2)n1 ZINC000075064319 564079853 /nfs/dbraw/zinc/07/98/53/564079853.db2.gz BKKMUWFELUVHCN-ZDUSSCGKSA-N 0 0 337.452 4.219 50 0 EIAARN C[C@H]1CSc2ccccc2N1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000075105949 564080094 /nfs/dbraw/zinc/08/00/94/564080094.db2.gz CZSFNIARVHVVNX-LBPRGKRZSA-N 0 0 340.423 4.377 50 0 EIAARN COC(=O)c1ccc(CSc2ncccc2C(F)(F)F)cc1 ZINC000075252380 564081203 /nfs/dbraw/zinc/08/12/03/564081203.db2.gz UXPIKUSUYXKDRN-UHFFFAOYSA-N 0 0 327.327 4.179 50 0 EIAARN Cc1sccc1CC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000346261263 564081768 /nfs/dbraw/zinc/08/17/68/564081768.db2.gz ZAOPONIVUUZLQN-QZTJIDSGSA-N 0 0 347.455 4.117 50 0 EIAARN CC(C)c1ccc(-c2cc(-c3nc(-c4ccccn4)no3)n[nH]2)cc1 ZINC000075351800 564082048 /nfs/dbraw/zinc/08/20/48/564082048.db2.gz LKVOEEDGFAYKMV-UHFFFAOYSA-N 0 0 331.379 4.312 50 0 EIAARN CC1=C(C)[C@H](c2cn(C)c3ccccc23)N(CCCOC(C)C)C1=O ZINC000006202311 564082297 /nfs/dbraw/zinc/08/22/97/564082297.db2.gz JLVAZEHYZWDJKV-HXUWFJFHSA-N 0 0 340.467 4.213 50 0 EIAARN O=C(NCc1ccc(-c2ccco2)o1)c1ccccc1Br ZINC000575607630 564082433 /nfs/dbraw/zinc/08/24/33/564082433.db2.gz AWSRHHGHCXIJGT-UHFFFAOYSA-N 0 0 346.180 4.232 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1F ZINC000575609544 564082549 /nfs/dbraw/zinc/08/25/49/564082549.db2.gz DGWRHHPGECRVTN-CQSZACIVSA-N 0 0 347.436 4.079 50 0 EIAARN Cc1cc(C)n([C@@H](CNC(=O)Nc2cccs2)c2cccs2)n1 ZINC000575611490 564082599 /nfs/dbraw/zinc/08/25/99/564082599.db2.gz VPDQQRXXVFKZMP-ZDUSSCGKSA-N 0 0 346.481 4.034 50 0 EIAARN Cc1ccccc1[C@H]1c2cccn2CCN1C(=O)NC1CCCCC1 ZINC000006234634 564083182 /nfs/dbraw/zinc/08/31/82/564083182.db2.gz RTBVWMGUOIIQMP-FQEVSTJZSA-N 0 0 337.467 4.244 50 0 EIAARN O=C(COc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000006249219 564083277 /nfs/dbraw/zinc/08/32/77/564083277.db2.gz MFOYJCHWLJQDLS-UHFFFAOYSA-N 0 0 344.842 4.348 50 0 EIAARN Cc1nn(CCNC(=O)Nc2ccccc2)c(C)c1-c1ccsc1 ZINC000575614851 564083374 /nfs/dbraw/zinc/08/33/74/564083374.db2.gz KRKJZYLJDOHJHV-UHFFFAOYSA-N 0 0 340.452 4.050 50 0 EIAARN CCOc1ccc2c(c1)CN(c1ncnc3sc(CC)cc31)CC2 ZINC000063992386 564083490 /nfs/dbraw/zinc/08/34/90/564083490.db2.gz RIKUMSUMTCHGOU-UHFFFAOYSA-N 0 0 339.464 4.215 50 0 EIAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)c1 ZINC000006287246 564083595 /nfs/dbraw/zinc/08/35/95/564083595.db2.gz QQJDKXDTEKMLQF-ZDUSSCGKSA-N 0 0 348.240 4.472 50 0 EIAARN O=C1NCCCC[C@H]1Sc1nnc(-c2ccccc2)c2ccccc21 ZINC000064025392 564083633 /nfs/dbraw/zinc/08/36/33/564083633.db2.gz CAGOOQJTUKOAOF-QGZVFWFLSA-N 0 0 349.459 4.058 50 0 EIAARN O=C(NCc1cncc(-c2ccco2)c1)c1ccccc1C(F)(F)F ZINC000575618855 564083708 /nfs/dbraw/zinc/08/37/08/564083708.db2.gz QDGDZUGJQQXWCI-UHFFFAOYSA-N 0 0 346.308 4.290 50 0 EIAARN Cc1ccc(C2=NC(=CNc3cccc(C(F)(F)F)c3)C(=O)O2)cc1 ZINC000006301002 564083734 /nfs/dbraw/zinc/08/37/34/564083734.db2.gz OJEFSSRYGWYETF-GDNBJRDFSA-N 0 0 346.308 4.271 50 0 EIAARN Cc1nccn1-c1ccc([C@@H](C)NCc2nc(C3CC3)cs2)cc1 ZINC000090458963 564084467 /nfs/dbraw/zinc/08/44/67/564084467.db2.gz LLKPSAGNYNQGNE-CYBMUJFWSA-N 0 0 338.480 4.365 50 0 EIAARN Cc1cccc(C2(C(=O)OCC(=O)c3c[nH]c4cccc(C)c34)CC2)c1 ZINC000064064064 564084556 /nfs/dbraw/zinc/08/45/56/564084556.db2.gz NEOMQDIHGLXHCT-UHFFFAOYSA-N 0 0 347.414 4.242 50 0 EIAARN COc1ccc2oc(C(=O)Nc3cc(OC)cc(OC)c3)c(C)c2c1 ZINC000006378441 564085318 /nfs/dbraw/zinc/08/53/18/564085318.db2.gz HMCSLQCUZJOZFM-UHFFFAOYSA-N 0 0 341.363 4.019 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)c3cccc(F)c3)cc2)cs1 ZINC000012980578 564085434 /nfs/dbraw/zinc/08/54/34/564085434.db2.gz PSNKXOHOSJLNTC-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1ccccc1 ZINC000006391082 564085488 /nfs/dbraw/zinc/08/54/88/564085488.db2.gz ZYLDHSIJXCOPFH-NSHDSACASA-N 0 0 330.844 4.166 50 0 EIAARN O=C(Nc1cccnc1)c1ccccc1COc1ccc(F)cc1F ZINC000006402693 564085586 /nfs/dbraw/zinc/08/55/86/564085586.db2.gz YGGAVMQCKUZWKM-UHFFFAOYSA-N 0 0 340.329 4.191 50 0 EIAARN O=C1OCCN1c1ccc(-c2csc(N3CCCCCC3)n2)cc1 ZINC000123203953 564085794 /nfs/dbraw/zinc/08/57/94/564085794.db2.gz VMJGMUQYACMNJF-UHFFFAOYSA-N 0 0 343.452 4.147 50 0 EIAARN O=C(CSc1nnc(-c2ccco2)o1)c1ccc2ccccc2c1 ZINC000002620812 564087170 /nfs/dbraw/zinc/08/71/70/564087170.db2.gz ZJQONKCMTKRVOG-UHFFFAOYSA-N 0 0 336.372 4.458 50 0 EIAARN Cc1ccc(-c2nocc2CCC(=O)NCc2cccc(F)c2)cc1 ZINC000075510157 564087338 /nfs/dbraw/zinc/08/73/38/564087338.db2.gz HCWLFSBWEHURPD-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN Cc1ccccc1CNC(=O)CCc1conc1-c1ccc(F)cc1 ZINC000075510450 564087342 /nfs/dbraw/zinc/08/73/42/564087342.db2.gz HELGUHHGVPBGSG-UHFFFAOYSA-N 0 0 338.382 4.038 50 0 EIAARN CCCCOc1ccccc1NC(=O)COc1cc(C)cc(C)c1 ZINC000001777463 564087517 /nfs/dbraw/zinc/08/75/17/564087517.db2.gz GLPZAHDGZUNTNV-UHFFFAOYSA-N 0 0 327.424 4.500 50 0 EIAARN CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC(=O)[C@@H]1C[C@H]1C ZINC000239760937 564088217 /nfs/dbraw/zinc/08/82/17/564088217.db2.gz CINXRRCYEJIDJE-YUELXQCFSA-N 0 0 333.428 4.224 50 0 EIAARN CCn1c(-c2cc(NC(=O)c3ccc(F)cc3)n[nH]2)cc2ccccc21 ZINC000075544380 564088678 /nfs/dbraw/zinc/08/86/78/564088678.db2.gz ZAGWGWVRPIQSJV-UHFFFAOYSA-N 0 0 348.381 4.443 50 0 EIAARN CCCCc1c(C)c2ccc(O[C@H](CC)C(=O)OCC)cc2oc1=O ZINC000001833649 564088792 /nfs/dbraw/zinc/08/87/92/564088792.db2.gz HATHUPRNLIEKML-QGZVFWFLSA-N 0 0 346.423 4.165 50 0 EIAARN Cc1cc(OCCCCn2c3ccccc3nc2CO)ccc1Cl ZINC000001926893 564090256 /nfs/dbraw/zinc/09/02/56/564090256.db2.gz GXIVAWXCPMANBS-UHFFFAOYSA-N 0 0 344.842 4.350 50 0 EIAARN Cc1ccc(C)c(Cn2c(CNC(=O)C(C)(C)C)nc3ccccc32)c1 ZINC000001927058 564090282 /nfs/dbraw/zinc/09/02/82/564090282.db2.gz QRJADWXVZZVISJ-UHFFFAOYSA-N 0 0 349.478 4.364 50 0 EIAARN Cc1cc(N=NC(C)c2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1 ZINC000252639510 564090781 /nfs/dbraw/zinc/09/07/81/564090781.db2.gz YLANCISXYJPIDN-UHFFFAOYSA-N 0 0 347.378 4.196 50 0 EIAARN CC(=O)Nc1cccc([C@@H](C)OC(=O)Cc2cccc3cccnc32)c1 ZINC000089492829 564090792 /nfs/dbraw/zinc/09/07/92/564090792.db2.gz GFINTVKBZVZEGY-CQSZACIVSA-N 0 0 348.402 4.040 50 0 EIAARN CC(=O)Nc1cccc2c1N(Cc1cccc3cccnc31)CCC2 ZINC000064430823 564091117 /nfs/dbraw/zinc/09/11/17/564091117.db2.gz MLIWXNGXIGVIMK-UHFFFAOYSA-N 0 0 331.419 4.146 50 0 EIAARN c1ccc(-c2cc(N3CCCC3)nc3cc4c(cc32)OCCO4)cc1 ZINC000006508524 564091168 /nfs/dbraw/zinc/09/11/68/564091168.db2.gz LJTQLBOHIJVQIK-UHFFFAOYSA-N 0 0 332.403 4.273 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1OC(F)F ZINC000006508199 564091172 /nfs/dbraw/zinc/09/11/72/564091172.db2.gz UTQYOHKODAWZKP-UHFFFAOYSA-N 0 0 347.346 4.059 50 0 EIAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3CC3)cc12 ZINC000006510790 564091358 /nfs/dbraw/zinc/09/13/58/564091358.db2.gz BCOLCAIYXJOHRF-UHFFFAOYSA-N 0 0 345.855 4.000 50 0 EIAARN COC(=O)c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@H]32)cc1 ZINC000016651044 564091414 /nfs/dbraw/zinc/09/14/14/564091414.db2.gz NCAZXJBAFALTTE-QGTPRVQTSA-N 0 0 343.810 4.371 50 0 EIAARN CCOc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC ZINC000006587358 564092270 /nfs/dbraw/zinc/09/22/70/564092270.db2.gz LMWMFWUTOCUSMV-SLEUVZQESA-N 0 0 339.863 4.302 50 0 EIAARN O=C(OCc1c(F)cccc1Cl)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000006590134 564092399 /nfs/dbraw/zinc/09/23/99/564092399.db2.gz GQNQKDDWMAQVRQ-HNNXBMFYSA-N 0 0 341.165 4.179 50 0 EIAARN O=C(COc1ccc2oc3ccccc3c2c1)NCc1ccc(F)cc1 ZINC000006602202 564092712 /nfs/dbraw/zinc/09/27/12/564092712.db2.gz ODCLXFNUJYSZKW-UHFFFAOYSA-N 0 0 349.361 4.420 50 0 EIAARN Cc1cccc(-c2nc3ccccn3c2NC(=O)NCCC(C)C)c1 ZINC000064611182 564093148 /nfs/dbraw/zinc/09/31/48/564093148.db2.gz XXRRBNQGEUCLHK-UHFFFAOYSA-N 0 0 336.439 4.477 50 0 EIAARN CCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2cccs2)cc1 ZINC000426396070 564093607 /nfs/dbraw/zinc/09/36/07/564093607.db2.gz YOHZWTHWORLLCB-QGZVFWFLSA-N 0 0 329.465 4.446 50 0 EIAARN Cc1ccsc1-c1ccc(C(=O)N(C)CCCn2cccn2)cc1 ZINC000426497047 564093891 /nfs/dbraw/zinc/09/38/91/564093891.db2.gz WZBDJSBAQJSIGQ-UHFFFAOYSA-N 0 0 339.464 4.082 50 0 EIAARN O=C(c1cccnc1-c1ccc(F)cc1Cl)N1C[C@H]2CC[C@@H]1C2 ZINC000426529328 564093986 /nfs/dbraw/zinc/09/39/86/564093986.db2.gz OJXWECYRPSUITF-WCQYABFASA-N 0 0 330.790 4.166 50 0 EIAARN O=C(NC[C@@H]1CCCOC1)c1cccc(-c2ccc3ncccc3c2)c1 ZINC000426551087 564094107 /nfs/dbraw/zinc/09/41/07/564094107.db2.gz IVONHQPIPOJYQU-INIZCTEOSA-N 0 0 346.430 4.058 50 0 EIAARN O=C(c1onc2c1CCCC2)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000426649688 564094314 /nfs/dbraw/zinc/09/43/14/564094314.db2.gz NVNGOXUNUOUIFA-QGZVFWFLSA-N 0 0 328.387 4.060 50 0 EIAARN CCOc1cc2nc(-c3ccccc3Cl)oc(=O)c2cc1OCC ZINC000006610458 564094481 /nfs/dbraw/zinc/09/44/81/564094481.db2.gz LWNRVMICSLHQLS-UHFFFAOYSA-N 0 0 345.782 4.306 50 0 EIAARN Cc1ccc2c(cnn2C(=O)Nc2ccc(Br)cc2)c1 ZINC000064662577 564094846 /nfs/dbraw/zinc/09/48/46/564094846.db2.gz WQXNSUSZBILUGK-UHFFFAOYSA-N 0 0 330.185 4.187 50 0 EIAARN Cc1ccc(CN2CCN(C(=O)c3cccs3)c3cccnc32)cc1 ZINC000064663157 564094853 /nfs/dbraw/zinc/09/48/53/564094853.db2.gz XPBJMGWNLWYALP-UHFFFAOYSA-N 0 0 349.459 4.119 50 0 EIAARN Cc1ccc(-c2csc3c2ncn(Cc2ccccc2)c3=O)cc1 ZINC000064667617 564094972 /nfs/dbraw/zinc/09/49/72/564094972.db2.gz TXHRTMAYHXQUKZ-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN CCc1nc(-c2ccc(-c3noc(-c4ccccn4)n3)cc2)cs1 ZINC000064669143 564095047 /nfs/dbraw/zinc/09/50/47/564095047.db2.gz GCRHKQUDSHYWTA-UHFFFAOYSA-N 0 0 334.404 4.485 50 0 EIAARN O=C(c1ccc(F)c(F)c1)N1CCC(CCOc2ccccc2)CC1 ZINC000064678029 564095324 /nfs/dbraw/zinc/09/53/24/564095324.db2.gz FVFMJJJPFGMUGO-UHFFFAOYSA-N 0 0 345.389 4.286 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC(CCOc2ccccc2)CC1 ZINC000064678034 564095337 /nfs/dbraw/zinc/09/53/37/564095337.db2.gz RFONFGRTDLVPJH-UHFFFAOYSA-N 0 0 327.399 4.147 50 0 EIAARN CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1 ZINC000006654317 564095515 /nfs/dbraw/zinc/09/55/15/564095515.db2.gz ZUQIZFRGNUXFDX-UHFFFAOYSA-N 0 0 337.350 4.218 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2c(=O)o1 ZINC000006659931 564095566 /nfs/dbraw/zinc/09/55/66/564095566.db2.gz VCQKIRMTCYLYCG-UHFFFAOYSA-N 0 0 333.265 4.064 50 0 EIAARN CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc12 ZINC000006667909 564095680 /nfs/dbraw/zinc/09/56/80/564095680.db2.gz ZEENWVIQNBKDIF-WMLDXEAASA-N 0 0 347.480 4.096 50 0 EIAARN CC[C@H](C)NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000064747401 564095815 /nfs/dbraw/zinc/09/58/15/564095815.db2.gz DKUFWSCFJONSOD-SMDDNHRTSA-N 0 0 348.834 4.035 50 0 EIAARN Cc1cc(C)cc(CSc2nnc(NC(=O)CC(C)C)s2)c1 ZINC000006705834 564096244 /nfs/dbraw/zinc/09/62/44/564096244.db2.gz LAKYWILOKYYWRE-UHFFFAOYSA-N 0 0 335.498 4.432 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)nnn2C(C)C ZINC000064818463 564096495 /nfs/dbraw/zinc/09/64/95/564096495.db2.gz DPIABOGYEKHRJV-UHFFFAOYSA-N 0 0 328.803 4.226 50 0 EIAARN O=C(c1ccc2c(c1)nnn2C1CCCC1)N1CCCc2ccccc21 ZINC000064818524 564096526 /nfs/dbraw/zinc/09/65/26/564096526.db2.gz GHZMTXBYDSANRY-UHFFFAOYSA-N 0 0 346.434 4.139 50 0 EIAARN CCOc1ccc(Nc2ncnc3c(-c4ccccc4)noc32)cc1 ZINC000064820834 564096612 /nfs/dbraw/zinc/09/66/12/564096612.db2.gz JNQWUAVIYQPLBM-UHFFFAOYSA-N 0 0 332.363 4.427 50 0 EIAARN Cc1ccc(-c2noc3c2ncnc3NCCc2cccs2)cc1 ZINC000064835087 564096698 /nfs/dbraw/zinc/09/66/98/564096698.db2.gz ZPKOPNBLJWFKOT-UHFFFAOYSA-N 0 0 336.420 4.309 50 0 EIAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000006747501 564096925 /nfs/dbraw/zinc/09/69/25/564096925.db2.gz IFOHFMYBCHRKLC-UHFFFAOYSA-N 0 0 327.330 4.400 50 0 EIAARN COc1ccc(-c2nc(C)c(C(=O)NCc3cccs3)s2)cc1 ZINC000006760354 564097315 /nfs/dbraw/zinc/09/73/15/564097315.db2.gz GFEJHLZRQDJJBC-UHFFFAOYSA-N 0 0 344.461 4.119 50 0 EIAARN CCCNC(=O)COc1c(C)cccc1-c1nc2cc(C)ccc2o1 ZINC000006776184 564097581 /nfs/dbraw/zinc/09/75/81/564097581.db2.gz KYVAAYOXKOZFDK-UHFFFAOYSA-N 0 0 338.407 4.017 50 0 EIAARN Cc1cc(Cl)cc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 ZINC000155024788 564098021 /nfs/dbraw/zinc/09/80/21/564098021.db2.gz SBMJXRWPTWSVGV-UHFFFAOYSA-N 0 0 328.721 4.253 50 0 EIAARN COc1ccc2c(c1)[nH]c(C(=O)NC(C)C)c2Sc1ccccc1 ZINC000006798867 564098083 /nfs/dbraw/zinc/09/80/83/564098083.db2.gz PPUGKHPFRMDHSQ-UHFFFAOYSA-N 0 0 340.448 4.466 50 0 EIAARN Cc1cccc(NC(=O)CCCn2sc3ccccc3c2=O)c1C ZINC000006800148 564098179 /nfs/dbraw/zinc/09/81/79/564098179.db2.gz YLJNDYXIMKOZFO-UHFFFAOYSA-N 0 0 340.448 4.099 50 0 EIAARN Cc1ccc(NC(=O)CCCn2sc3ccccc3c2=O)cc1C ZINC000006800164 564098200 /nfs/dbraw/zinc/09/82/00/564098200.db2.gz QBPFCPQWKKWHJU-UHFFFAOYSA-N 0 0 340.448 4.099 50 0 EIAARN CCC[NH2+]Cc1c2ccccc2n(Cc2ccccc2F)c1C(=O)[O-] ZINC000006803261 564098293 /nfs/dbraw/zinc/09/82/93/564098293.db2.gz QMKBYQJVDWDEEA-UHFFFAOYSA-N 0 0 340.398 4.027 50 0 EIAARN CCn1c2ccccc2c(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1C(=O)[O-] ZINC000006803548 564098302 /nfs/dbraw/zinc/09/83/02/564098302.db2.gz OYVOOALBGOQSSH-JKIFEVAISA-N 0 0 328.456 4.274 50 0 EIAARN CCOc1ccccc1NC(=O)c1cc(=O)c2cc(CC)ccc2o1 ZINC000006811283 564098597 /nfs/dbraw/zinc/09/85/97/564098597.db2.gz AUXRMTUDQMGLOA-UHFFFAOYSA-N 0 0 337.375 4.006 50 0 EIAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(Cl)cc3)oc2c1C ZINC000006811345 564098601 /nfs/dbraw/zinc/09/86/01/564098601.db2.gz OJXLBYFDULPOQI-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000007973726 564099065 /nfs/dbraw/zinc/09/90/65/564099065.db2.gz 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564101713 /nfs/dbraw/zinc/10/17/13/564101713.db2.gz QOPLSFAOZJTIEG-UHFFFAOYSA-N 0 0 327.819 4.258 50 0 EIAARN CCc1nc2cc(-c3noc(Cc4ccc(OC)cc4)n3)ccc2o1 ZINC000065149728 564101783 /nfs/dbraw/zinc/10/17/83/564101783.db2.gz HAEQAUCIYDXFQE-UHFFFAOYSA-N 0 0 335.363 4.040 50 0 EIAARN CCn1cc(CCNC(=O)Nc2ccc(Cl)cc2)c2cccnc21 ZINC000065156269 564101927 /nfs/dbraw/zinc/10/19/27/564101927.db2.gz TWRALWHNBJSJSR-UHFFFAOYSA-N 0 0 342.830 4.074 50 0 EIAARN Cc1noc(C)c1COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000006945848 564101999 /nfs/dbraw/zinc/10/19/99/564101999.db2.gz SYQGFGIIHZTSBM-LLVKDONJSA-N 0 0 338.407 4.255 50 0 EIAARN Cc1cccc(-c2ncccc2CNC(=O)c2ccc(F)c(F)c2)c1 ZINC000065171222 564102227 /nfs/dbraw/zinc/10/22/27/564102227.db2.gz KXELEYPTWALOLZ-UHFFFAOYSA-N 0 0 338.357 4.265 50 0 EIAARN O=C(c1ccccc1)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000065180710 564102365 /nfs/dbraw/zinc/10/23/65/564102365.db2.gz JBLBUUVIBJWFRY-UHFFFAOYSA-N 0 0 327.399 4.147 50 0 EIAARN O=C(c1cccs1)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000065180772 564102381 /nfs/dbraw/zinc/10/23/81/564102381.db2.gz FZAABZYEPZRUQE-UHFFFAOYSA-N 0 0 333.428 4.209 50 0 EIAARN O=C(Oc1cccc(Nc2nc(-c3ccccn3)cs2)c1)C1CC1 ZINC000169849645 564102404 /nfs/dbraw/zinc/10/24/04/564102404.db2.gz DPAUKAWKCZNOTQ-UHFFFAOYSA-N 0 0 337.404 4.264 50 0 EIAARN CC(C)NC(=O)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1 ZINC000065178243 564102530 /nfs/dbraw/zinc/10/25/30/564102530.db2.gz ZUMUJPOQDQDVEE-UHFFFAOYSA-N 0 0 337.467 4.267 50 0 EIAARN Cc1occc1-c1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1 ZINC000006979555 564102617 /nfs/dbraw/zinc/10/26/17/564102617.db2.gz UFZCQPXSCDFADE-HNNXBMFYSA-N 0 0 341.436 4.107 50 0 EIAARN Cc1ccsc1-c1nnc(CC(=O)Nc2cccc(C(C)C)c2)o1 ZINC000065214416 564102829 /nfs/dbraw/zinc/10/28/29/564102829.db2.gz YCAOFBJMSBOPCU-UHFFFAOYSA-N 0 0 341.436 4.411 50 0 EIAARN CCn1cc(C(=O)Nc2cccc(Br)c2)c2cccnc21 ZINC000065216710 564102870 /nfs/dbraw/zinc/10/28/70/564102870.db2.gz YEGYJVSZNDKYPC-UHFFFAOYSA-N 0 0 344.212 4.071 50 0 EIAARN CCCn1cc(C(=O)NCc2cccc(Cl)c2)c2cccnc21 ZINC000065216802 564102872 /nfs/dbraw/zinc/10/28/72/564102872.db2.gz MIWAMBWTVROHPR-UHFFFAOYSA-N 0 0 327.815 4.030 50 0 EIAARN CCn1cc(C(=O)NCc2ccccc2C(F)(F)F)c2cccnc21 ZINC000065216703 564102873 /nfs/dbraw/zinc/10/28/73/564102873.db2.gz JTFWHVRECJIXIP-UHFFFAOYSA-N 0 0 347.340 4.005 50 0 EIAARN COc1cc(C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000007007692 564103116 /nfs/dbraw/zinc/10/31/16/564103116.db2.gz TXILCEHYAHVACS-UHFFFAOYSA-N 0 0 339.313 4.040 50 0 EIAARN CCCn1ccc2sc(C)c(C(=O)NCC3CCCCC3)c2c1=O ZINC000065230202 564103165 /nfs/dbraw/zinc/10/31/65/564103165.db2.gz VSFYEIARHRAQGF-UHFFFAOYSA-N 0 0 346.496 4.092 50 0 EIAARN COc1cccc(-c2nc(Cc3nc(-c4ccccc4)oc3C)no2)c1 ZINC000065247386 564103366 /nfs/dbraw/zinc/10/33/66/564103366.db2.gz HMQSHWCLBLEKSJ-UHFFFAOYSA-N 0 0 347.374 4.299 50 0 EIAARN c1coc(-c2nnc(SCCc3ccccn3)n2-c2ccccc2)c1 ZINC000007035112 564103507 /nfs/dbraw/zinc/10/35/07/564103507.db2.gz ALUIOGPKACQJPH-UHFFFAOYSA-N 0 0 348.431 4.257 50 0 EIAARN CC[C@H](C)[C@H](NC(=O)CCCn1cccc1)c1nc2ccccc2[nH]1 ZINC000524735704 564103870 /nfs/dbraw/zinc/10/38/70/564103870.db2.gz SFPVSXKIJJKJMJ-KXBFYZLASA-N 0 0 338.455 4.048 50 0 EIAARN Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000007053124 564103887 /nfs/dbraw/zinc/10/38/87/564103887.db2.gz WBRCSPSSGLPSMM-UHFFFAOYSA-N 0 0 330.236 4.411 50 0 EIAARN O=c1[nH]c(CSc2nc3ccccc3o2)nc2ccc(Cl)cc21 ZINC000007059876 564104038 /nfs/dbraw/zinc/10/40/38/564104038.db2.gz SODPBSQEDLZCME-UHFFFAOYSA-N 0 0 343.795 4.010 50 0 EIAARN CCn1cc(-c2ccc(C)cc2)cc1C(=O)N[C@@H](C)c1ccccn1 ZINC000065307126 564104903 /nfs/dbraw/zinc/10/49/03/564104903.db2.gz OPDWXJJQCMJWLW-INIZCTEOSA-N 0 0 333.435 4.369 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)OCc1ncc(-c2ccccc2)o1 ZINC000007107917 564104949 /nfs/dbraw/zinc/10/49/49/564104949.db2.gz LBBZPNNTUIIDPK-UHFFFAOYSA-N 0 0 345.757 4.420 50 0 EIAARN CCCCn1c(CN2CCCCC2)nc2cc(NC(=O)CC)ccc21 ZINC000065322331 564105197 /nfs/dbraw/zinc/10/51/97/564105197.db2.gz SLWWUHMMJORZHL-UHFFFAOYSA-N 0 0 342.487 4.171 50 0 EIAARN CCOc1ccc(Nc2c(-c3ccc(O)cc3)nc3cnccn32)cc1 ZINC000065323356 564105249 /nfs/dbraw/zinc/10/52/49/564105249.db2.gz CDAJJDOPQIHUHS-UHFFFAOYSA-N 0 0 346.390 4.244 50 0 EIAARN CCCCn1c(CN2CCCC2)nc2cc(NC(=O)CCC)ccc21 ZINC000065322489 564105268 /nfs/dbraw/zinc/10/52/68/564105268.db2.gz HSZYPAGPSWKETE-UHFFFAOYSA-N 0 0 342.487 4.171 50 0 EIAARN CCc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000065331529 564105351 /nfs/dbraw/zinc/10/53/51/564105351.db2.gz NWNSFUTUDNPPTM-GOSISDBHSA-N 0 0 331.419 4.217 50 0 EIAARN CC[C@@H](C)c1ccc(N[C@H](C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000007241169 564105921 /nfs/dbraw/zinc/10/59/21/564105921.db2.gz OOVWRPYRUDHUNE-HZPDHXFCSA-N 0 0 340.467 4.326 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000007248898 564106031 /nfs/dbraw/zinc/10/60/31/564106031.db2.gz OMHMRPQHKFCTIC-UHFFFAOYSA-N 0 0 344.263 4.123 50 0 EIAARN CCCc1noc([C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000065477519 564106300 /nfs/dbraw/zinc/10/63/00/564106300.db2.gz FJBBZOLBNSXAGW-CYBMUJFWSA-N 0 0 340.427 4.104 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000065500963 564106580 /nfs/dbraw/zinc/10/65/80/564106580.db2.gz VKEYEVQNYBGILO-LBPRGKRZSA-N 0 0 345.418 4.163 50 0 EIAARN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](C(F)(F)F)C1 ZINC000065564737 564107049 /nfs/dbraw/zinc/10/70/49/564107049.db2.gz FAYQCTPDKHVNEW-AAEUAGOBSA-N 0 0 325.334 4.072 50 0 EIAARN C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@H](C(F)(F)F)C1 ZINC000065566254 564107108 /nfs/dbraw/zinc/10/71/08/564107108.db2.gz IPBPUCPVWHBYGT-ZJUUUORDSA-N 0 0 331.363 4.133 50 0 EIAARN C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@H](C(F)(F)F)C1 ZINC000065566252 564107114 /nfs/dbraw/zinc/10/71/14/564107114.db2.gz IPBPUCPVWHBYGT-UWVGGRQHSA-N 0 0 331.363 4.133 50 0 EIAARN S=c1sc(SCc2nnc(C3CC3)o2)nn1-c1ccccc1 ZINC000065532867 564107183 /nfs/dbraw/zinc/10/71/83/564107183.db2.gz NBEZNQUMQNKTON-UHFFFAOYSA-N 0 0 348.478 4.216 50 0 EIAARN CC(C)c1nnc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)s1 ZINC000007347903 564107285 /nfs/dbraw/zinc/10/72/85/564107285.db2.gz LHCMVZAQNFHFCG-VIFPVBQESA-N 0 0 341.889 4.434 50 0 EIAARN COc1cc(C(C)=O)ccc1OCc1nc(-c2ccco2)oc1C ZINC000065562246 564107592 /nfs/dbraw/zinc/10/75/92/564107592.db2.gz BONKJDCICABMFI-UHFFFAOYSA-N 0 0 327.336 4.033 50 0 EIAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)c2ccccc2)c1Cl ZINC000007386555 564107632 /nfs/dbraw/zinc/10/76/32/564107632.db2.gz PAXFJJUVUANSDA-UHFFFAOYSA-N 0 0 344.263 4.435 50 0 EIAARN O=C(CCC(=O)c1ccccc1)OCc1ncc(-c2ccccc2)o1 ZINC000007396090 564107795 /nfs/dbraw/zinc/10/77/95/564107795.db2.gz SENFPVVCUXQLOR-UHFFFAOYSA-N 0 0 335.359 4.048 50 0 EIAARN COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2F)c(Cl)c1 ZINC000065591090 564107905 /nfs/dbraw/zinc/10/79/05/564107905.db2.gz JBIIVIAZGVEGNV-UHFFFAOYSA-N 0 0 342.153 4.171 50 0 EIAARN CCOc1cccc([C@@H](C)NC(=O)Nc2ccccc2COC)c1 ZINC000065607490 564108217 /nfs/dbraw/zinc/10/82/17/564108217.db2.gz JVBRSGHKZAHKTF-CQSZACIVSA-N 0 0 328.412 4.114 50 0 EIAARN CC(C)CCC(=O)N[C@H](Cc1nccn1C(F)F)c1ccccc1 ZINC000065622150 564108482 /nfs/dbraw/zinc/10/84/82/564108482.db2.gz WLMKCRSZMIZUER-OAHLLOKOSA-N 0 0 335.398 4.114 50 0 EIAARN O=C(CSc1nncs1)Nc1ccc2oc3ccccc3c2c1 ZINC000007442624 564108592 /nfs/dbraw/zinc/10/85/92/564108592.db2.gz MRUDLRNSEWLHPM-UHFFFAOYSA-N 0 0 341.417 4.168 50 0 EIAARN Cc1cc(C)c(C(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1C ZINC000007471536 564108738 /nfs/dbraw/zinc/10/87/38/564108738.db2.gz NSKYHUPALMSPNP-UHFFFAOYSA-N 0 0 337.448 4.372 50 0 EIAARN CC[C@@H](CC(F)(F)F)NC(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC000170595307 564109032 /nfs/dbraw/zinc/10/90/32/564109032.db2.gz GWUKTADAPDXAMN-JTQLQIEISA-N 0 0 343.349 4.115 50 0 EIAARN Cc1ccc(OCCC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c(C)c1 ZINC000170594667 564109063 /nfs/dbraw/zinc/10/90/63/564109063.db2.gz KZWADBPSBYWHMG-QFBILLFUSA-N 0 0 338.451 4.077 50 0 EIAARN CCc1nc(C)c(NC(=O)COc2ccc(C(F)(F)F)cc2)s1 ZINC000170601201 564109352 /nfs/dbraw/zinc/10/93/52/564109352.db2.gz ATWTVSRQKYEOLE-UHFFFAOYSA-N 0 0 344.358 4.050 50 0 EIAARN O=C(C[C@@H](c1cccs1)n1cccc1)NCCc1ccc(F)cc1 ZINC000170607837 564109666 /nfs/dbraw/zinc/10/96/66/564109666.db2.gz AOUAXHFDKFBTOZ-KRWDZBQOSA-N 0 0 342.439 4.027 50 0 EIAARN CC[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)c1ccncc1 ZINC000170611087 564109777 /nfs/dbraw/zinc/10/97/77/564109777.db2.gz DIWMRKDGQNEQDU-KBPBESRZSA-N 0 0 343.393 4.153 50 0 EIAARN c1c(CSc2nnc(NC3CC3)s2)noc1-c1ccccc1 ZINC000007535439 564109900 /nfs/dbraw/zinc/10/99/00/564109900.db2.gz QJFYNJCJSCVBBD-UHFFFAOYSA-N 0 0 330.438 4.060 50 0 EIAARN CC(C)c1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)cc1 ZINC000007535509 564109954 /nfs/dbraw/zinc/10/99/54/564109954.db2.gz QSGYCKUREIZNOI-UHFFFAOYSA-N 0 0 345.826 4.188 50 0 EIAARN COCCCOc1cccc(NC(=O)c2ccc3c(c2)CCC=C3)c1 ZINC000170614660 564109979 /nfs/dbraw/zinc/10/99/79/564109979.db2.gz XCHZNOMMNNOBMF-UHFFFAOYSA-N 0 0 337.419 4.314 50 0 EIAARN O=C(C[C@@H]1OCCc2ccsc21)NCc1ccc2ccccc2c1 ZINC000170621036 564110275 /nfs/dbraw/zinc/11/02/75/564110275.db2.gz BRUHFJOZLUEMPG-SFHVURJKSA-N 0 0 337.444 4.222 50 0 EIAARN Cc1ccc2[nH]c(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2c1C ZINC000170629537 564110630 /nfs/dbraw/zinc/11/06/30/564110630.db2.gz QJPZOSVDVRJOJL-UHFFFAOYSA-N 0 0 342.402 4.494 50 0 EIAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](C2=Cc3ccccc3OC2)S1 ZINC000071287339 564110948 /nfs/dbraw/zinc/11/09/48/564110948.db2.gz OSHJFOAAVHTRMO-INIZCTEOSA-N 0 0 341.436 4.483 50 0 EIAARN Cc1csc(-c2cccc(NC(=O)N(C)Cc3ccncc3)c2)n1 ZINC000071855069 564111349 /nfs/dbraw/zinc/11/13/49/564111349.db2.gz BYVHEGGSIPKMDB-UHFFFAOYSA-N 0 0 338.436 4.177 50 0 EIAARN COC(=O)N[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004029854 564111655 /nfs/dbraw/zinc/11/16/55/564111655.db2.gz CEZKLEHYJURHTB-GNFVNJEZSA-N 0 0 349.515 4.115 50 0 biogenic EIAARN CC(C)(C)c1cc(NC(=O)Nc2ccccc2Br)no1 ZINC000013745987 564111988 /nfs/dbraw/zinc/11/19/88/564111988.db2.gz UYTYETDWJCNCBR-UHFFFAOYSA-N 0 0 338.205 4.379 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)Nc1ccccc1Br ZINC000013746466 564112016 /nfs/dbraw/zinc/11/20/16/564112016.db2.gz DIGUFAHLVZBLOU-NSHDSACASA-N 0 0 331.213 4.432 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1OC(F)F ZINC000014244693 564112383 /nfs/dbraw/zinc/11/23/83/564112383.db2.gz XNIINQSUOAMBRL-UHFFFAOYSA-N 0 0 347.346 4.059 50 0 EIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 ZINC000014401808 564112476 /nfs/dbraw/zinc/11/24/76/564112476.db2.gz RLVIRPBIBNPMLI-ZDUSSCGKSA-N 0 0 341.904 4.289 50 0 EIAARN Cc1nc(CC(=O)N2CCCc3cc(Cl)cc(Cl)c32)cs1 ZINC000089709070 564113410 /nfs/dbraw/zinc/11/34/10/564113410.db2.gz PDLIZPWPRMJJBD-UHFFFAOYSA-N 0 0 341.263 4.280 50 0 EIAARN Clc1cnccc1NCc1cccc(COC2CCOCC2)c1 ZINC000089774559 564113679 /nfs/dbraw/zinc/11/36/79/564113679.db2.gz SDGSFDUMRLZSOI-UHFFFAOYSA-N 0 0 332.831 4.043 50 0 EIAARN CC(C)CCNC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 ZINC000016850351 564113897 /nfs/dbraw/zinc/11/38/97/564113897.db2.gz GWBCVMGUBWABMD-UHFFFAOYSA-N 0 0 337.876 4.245 50 0 EIAARN O[C@@H]1CCCC[C@@H]1Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000089866710 564114409 /nfs/dbraw/zinc/11/44/09/564114409.db2.gz GXNHPMSUEAXYTG-NEPJUHHUSA-N 0 0 328.359 4.044 50 0 EIAARN C[C@H](Sc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nn1 ZINC000089913520 564115207 /nfs/dbraw/zinc/11/52/07/564115207.db2.gz KCIYPNPHESSDIQ-ZDUSSCGKSA-N 0 0 349.419 4.171 50 0 EIAARN CCn1c(SCC(=O)c2cccc(F)c2)nnc1-c1ccccc1 ZINC000007579190 564115472 /nfs/dbraw/zinc/11/54/72/564115472.db2.gz LWTPAGLTKXSPOJ-UHFFFAOYSA-N 0 0 341.411 4.079 50 0 EIAARN COCc1nc(C)cc(N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)n1 ZINC000076091827 564115652 /nfs/dbraw/zinc/11/56/52/564115652.db2.gz ISXURUWOFQEVEG-MSOLQXFVSA-N 0 0 325.456 4.012 50 0 EIAARN CCCn1c(=O)c2ccccc2nc1SCc1ccc(OC)cc1 ZINC000014705709 564115818 /nfs/dbraw/zinc/11/58/18/564115818.db2.gz JJNUPTKVPOMKAD-UHFFFAOYSA-N 0 0 340.448 4.107 50 0 EIAARN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C)CC3)c12 ZINC000089960427 564115882 /nfs/dbraw/zinc/11/58/82/564115882.db2.gz KYKRBHSEPINKHY-ZDUSSCGKSA-N 0 0 341.455 4.315 50 0 EIAARN Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)c2ccc(C)cc2)o1 ZINC000170634377 564116532 /nfs/dbraw/zinc/11/65/32/564116532.db2.gz KAKIZTDUHYBZIX-QGZVFWFLSA-N 0 0 325.408 4.223 50 0 EIAARN Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)c2ccc(C)cc2)o1 ZINC000170634378 564116541 /nfs/dbraw/zinc/11/65/41/564116541.db2.gz KAKIZTDUHYBZIX-KRWDZBQOSA-N 0 0 325.408 4.223 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000170634742 564116591 /nfs/dbraw/zinc/11/65/91/564116591.db2.gz WOCMFSRCJSFXDE-LJQANCHMSA-N 0 0 334.423 4.487 50 0 EIAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1 ZINC000000150782 564116668 /nfs/dbraw/zinc/11/66/68/564116668.db2.gz XPWHEXNKJNHRJJ-SFHVURJKSA-N 0 0 345.442 4.480 50 0 EIAARN CN(C)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000000151339 564116670 /nfs/dbraw/zinc/11/66/70/564116670.db2.gz XLEDKTYDODEJLY-UHFFFAOYSA-N 0 0 332.329 4.458 50 0 EIAARN Cc1[nH]c2ccc(C)cc2c1/C=C1/N=C(c2cccc(C)c2)OC1=O ZINC000000460681 564116694 /nfs/dbraw/zinc/11/66/94/564116694.db2.gz QNIZLEBVWQADSP-YBFXNURJSA-N 0 0 330.387 4.438 50 0 EIAARN CCOC(=O)Cc1csc(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000090471126 564117320 /nfs/dbraw/zinc/11/73/20/564117320.db2.gz WDKPKGFNTPCZAN-UHFFFAOYSA-N 0 0 330.331 4.011 50 0 EIAARN CC(C)c1nc(C(=O)N(C)Cc2ccccc2-c2ccccc2)c[nH]1 ZINC000170638205 564117508 /nfs/dbraw/zinc/11/75/08/564117508.db2.gz IUIFKLLVRDLFDO-UHFFFAOYSA-N 0 0 333.435 4.472 50 0 EIAARN Nn1c(SC/C=C/c2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000002386481 564117896 /nfs/dbraw/zinc/11/78/96/564117896.db2.gz IMALNBUQZZSNJU-VMPITWQZSA-N 0 0 342.855 4.118 50 0 EIAARN Cn1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)n1 ZINC000027156232 564118018 /nfs/dbraw/zinc/11/80/18/564118018.db2.gz SOEGYYDRRILUEW-UHFFFAOYSA-N 0 0 340.433 4.011 50 0 EIAARN CC(=O)Oc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2c1C ZINC000000302252 564118844 /nfs/dbraw/zinc/11/88/44/564118844.db2.gz AXNUEOINFFKGKO-UHFFFAOYSA-N 0 0 342.322 4.267 50 0 EIAARN Cc1cnn(CCCCC[S@](=O)Cc2cccc3ccccc32)c1 ZINC000170643307 564119042 /nfs/dbraw/zinc/11/90/42/564119042.db2.gz DOCUBIVCIDPPCL-DEOSSOPVSA-N 0 0 340.492 4.464 50 0 EIAARN CN(C(=O)c1ccc2ncoc2c1)c1ccc(Br)cc1F ZINC000252484213 564119239 /nfs/dbraw/zinc/11/92/39/564119239.db2.gz FRTAPXIHJIACDL-UHFFFAOYSA-N 0 0 349.159 4.006 50 0 EIAARN CCOC(=O)c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000027242927 564119524 /nfs/dbraw/zinc/11/95/24/564119524.db2.gz FQEJBTHMFKQDPF-UHFFFAOYSA-N 0 0 341.407 4.004 50 0 EIAARN COc1ccc(C)c(NC(=O)c2ccc(OC)cc2OC(C)C)c1 ZINC000252495004 564119670 /nfs/dbraw/zinc/11/96/70/564119670.db2.gz OKLAOMBDBFSYPD-UHFFFAOYSA-N 0 0 329.396 4.052 50 0 EIAARN O=C(NCCCCc1ccc(Cl)s1)[C@@H]1C[C@H]1c1cccnc1 ZINC000252500235 564119762 /nfs/dbraw/zinc/11/97/62/564119762.db2.gz SPVFYESNXFYTHB-LSDHHAIUSA-N 0 0 334.872 4.039 50 0 EIAARN O=C(NCCCCc1ccc(Cl)s1)[C@H]1C[C@H]1c1cccnc1 ZINC000252500233 564119769 /nfs/dbraw/zinc/11/97/69/564119769.db2.gz SPVFYESNXFYTHB-GJZGRUSLSA-N 0 0 334.872 4.039 50 0 EIAARN CCc1csc(CC(=O)Nc2ccc(C)c(C(F)(F)F)c2)n1 ZINC000170648249 564120329 /nfs/dbraw/zinc/12/03/29/564120329.db2.gz JKVKKJNCHUUMSC-UHFFFAOYSA-N 0 0 328.359 4.214 50 0 EIAARN CC(C)N1CC[C@@H](Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)C1=O ZINC000170650928 564120343 /nfs/dbraw/zinc/12/03/43/564120343.db2.gz JRBOIWIRAPCMQT-LSTHTHJFSA-N 0 0 344.499 4.203 50 0 EIAARN C[C@H](NC(=O)N(C)Cc1cscn1)c1ccc2ccccc2c1 ZINC000194265739 564120444 /nfs/dbraw/zinc/12/04/44/564120444.db2.gz FBQWTTMDWBBPHF-ZDUSSCGKSA-N 0 0 325.437 4.199 50 0 EIAARN CC(C)c1cc(C(=O)N2CC[C@@H]2c2ccccc2F)nn1C(C)(C)C ZINC000252570780 564120780 /nfs/dbraw/zinc/12/07/80/564120780.db2.gz XDSIOWVEAXSGOX-QGZVFWFLSA-N 0 0 343.446 4.488 50 0 EIAARN C[C@@H]1CC[C@H](Nc2cccc(C[S@](=O)C3CCOCC3)c2)[C@@H](C)C1 ZINC000252585094 564120799 /nfs/dbraw/zinc/12/07/99/564120799.db2.gz GAGLPYAGTBOIND-ONKLLMOWSA-N 0 0 349.540 4.351 50 0 EIAARN COc1ccccc1CCNC(=S)Nc1cccc(Cl)c1C ZINC000007620392 564121099 /nfs/dbraw/zinc/12/10/99/564121099.db2.gz ZSHLITABLUGSSA-UHFFFAOYSA-N 0 0 334.872 4.186 50 0 EIAARN CC[C@@H](C)[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000007657246 564121600 /nfs/dbraw/zinc/12/16/00/564121600.db2.gz OFFYUEMCGVMBPC-KDOFPFPSSA-N 0 0 325.408 4.242 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(CC)cc2)cs1 ZINC000007698929 564121993 /nfs/dbraw/zinc/12/19/93/564121993.db2.gz JZNPTBSTVFVNEL-UHFFFAOYSA-N 0 0 341.436 4.484 50 0 EIAARN Cc1cnc(CNc2cccc(C[S@](=O)c3ccccc3)c2)s1 ZINC000194733862 564122064 /nfs/dbraw/zinc/12/20/64/564122064.db2.gz HXYOCINVDOGESL-QHCPKHFHSA-N 0 0 342.489 4.371 50 0 EIAARN C[C@H](C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000194945075 564122601 /nfs/dbraw/zinc/12/26/01/564122601.db2.gz TVDLNMZMFCOIGO-ZDUSSCGKSA-N 0 0 345.439 4.112 50 0 EIAARN CC(C)(C)n1cc(NC(=O)Nc2nc(-c3ccccc3)cs2)cn1 ZINC000065985917 564122910 /nfs/dbraw/zinc/12/29/10/564122910.db2.gz RWVQHSQDFHACAG-UHFFFAOYSA-N 0 0 341.440 4.406 50 0 EIAARN O=C(CCCOc1ccccc1)N[C@H]1CCSc2ccccc21 ZINC000007777355 564123016 /nfs/dbraw/zinc/12/30/16/564123016.db2.gz PLFCPMNFUCQPSC-KRWDZBQOSA-N 0 0 327.449 4.199 50 0 EIAARN COC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c21 ZINC000007779113 564123078 /nfs/dbraw/zinc/12/30/78/564123078.db2.gz ASALGFJPUMTPNY-UHFFFAOYSA-N 0 0 330.434 4.246 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cc(F)ccc2Br)c1 ZINC000007807424 564123591 /nfs/dbraw/zinc/12/35/91/564123591.db2.gz OSPFKTINQGCRDE-UHFFFAOYSA-N 0 0 336.160 4.043 50 0 EIAARN C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000195528603 564123604 /nfs/dbraw/zinc/12/36/04/564123604.db2.gz ZVUILHDCYIJURD-SUHUHFCYSA-N 0 0 332.341 4.307 50 0 EIAARN Cc1nc2sc3c(c2c2nc(-c4ccncc4)nn21)[C@@H](C)CCC3 ZINC000002223130 564124063 /nfs/dbraw/zinc/12/40/63/564124063.db2.gz PGDTZSCUJCTYIW-JTQLQIEISA-N 0 0 335.436 4.149 50 0 EIAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)o1 ZINC000007884988 564124392 /nfs/dbraw/zinc/12/43/92/564124392.db2.gz RAGHYPRXYQSHNX-IBGZPJMESA-N 0 0 348.358 4.088 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccccc2OC(F)F)N1C1CC1 ZINC000007886011 564124413 /nfs/dbraw/zinc/12/44/13/564124413.db2.gz UXUSIRZISBZEOA-MRXNPFEDSA-N 0 0 330.334 4.017 50 0 EIAARN 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/nfs/dbraw/zinc/15/11/20/564151120.db2.gz WIAFUYAECPHQPD-UHFFFAOYSA-N 0 0 326.827 4.068 50 0 EIAARN CCc1nnc(NC(=O)CCCSc2ccc(Cl)cc2)s1 ZINC000002624445 564151293 /nfs/dbraw/zinc/15/12/93/564151293.db2.gz IEXOKJVNJOSUIR-UHFFFAOYSA-N 0 0 341.889 4.265 50 0 EIAARN CCCNC(=O)c1ccc(NC(=O)c2sccc2C)cc1Cl ZINC000056150628 564151356 /nfs/dbraw/zinc/15/13/56/564151356.db2.gz VSDBAJYFWMCBBO-UHFFFAOYSA-N 0 0 336.844 4.102 50 0 EIAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000002649871 564151860 /nfs/dbraw/zinc/15/18/60/564151860.db2.gz ASEQUVVHAWLRAW-ZDUSSCGKSA-N 0 0 328.437 4.073 50 0 EIAARN C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1 ZINC000002658080 564152004 /nfs/dbraw/zinc/15/20/04/564152004.db2.gz SZNLIZUQPOQMCY-LLVKDONJSA-N 0 0 349.839 4.231 50 0 EIAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(C)cc1C ZINC000002699055 564152158 /nfs/dbraw/zinc/15/21/58/564152158.db2.gz GEJWZEMIIIYBJG-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1c(F)cccc1F ZINC000002721070 564152252 /nfs/dbraw/zinc/15/22/52/564152252.db2.gz NPDUOLKGWCSDBK-UHFFFAOYSA-N 0 0 346.402 4.277 50 0 EIAARN Clc1ccc(Cc2nc3c4c5c(sc4ncn3n2)CCC5)cc1 ZINC000002785792 564152620 /nfs/dbraw/zinc/15/26/20/564152620.db2.gz UXSAQAVUWOFUFK-UHFFFAOYSA-N 0 0 340.839 4.072 50 0 EIAARN Cc1cc(C)cc(NC(=O)Nc2nnc(N3CCCC[C@@H]3C)s2)c1 ZINC000002908366 564153023 /nfs/dbraw/zinc/15/30/23/564153023.db2.gz GBTYDKGCXZDHIQ-ZDUSSCGKSA-N 0 0 345.472 4.178 50 0 EIAARN O=C(CCSCc1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000002944131 564153150 /nfs/dbraw/zinc/15/31/50/564153150.db2.gz QRDNKJBAFTUMHW-UHFFFAOYSA-N 0 0 337.847 4.419 50 0 EIAARN CCCn1cc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)ccc1=O ZINC000057144201 564153336 /nfs/dbraw/zinc/15/33/36/564153336.db2.gz YLTBZNMARQYIBO-UHFFFAOYSA-N 0 0 345.402 4.145 50 0 EIAARN COc1ccc([C@H]2CCCCCN2Cc2nc(C3CC3)no2)cc1 ZINC000029455625 564153476 /nfs/dbraw/zinc/15/34/76/564153476.db2.gz YEMNINSYIBZUPT-QGZVFWFLSA-N 0 0 327.428 4.073 50 0 EIAARN COc1cccc(CNC(=O)CCSCc2cccc(Cl)c2)c1 ZINC000002953842 564153758 /nfs/dbraw/zinc/15/37/58/564153758.db2.gz JZOYGQODUSPMRS-UHFFFAOYSA-N 0 0 349.883 4.288 50 0 EIAARN Cc1ccc(N(C)C(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 ZINC000057412405 564154114 /nfs/dbraw/zinc/15/41/14/564154114.db2.gz YKAQIBAVLWBEIE-UHFFFAOYSA-N 0 0 325.799 4.315 50 0 EIAARN Cn1cc(CCC(=O)NCc2ccccc2Cl)c2ccccc21 ZINC000003048715 564154685 /nfs/dbraw/zinc/15/46/85/564154685.db2.gz BUGRZXVDBRNLQV-UHFFFAOYSA-N 0 0 326.827 4.081 50 0 EIAARN CNc1nc2ccccc2c2nnc(-c3ccc(Cl)c(Cl)c3)n21 ZINC000003063677 564154904 /nfs/dbraw/zinc/15/49/04/564154904.db2.gz QWOREYAWFYSPJY-UHFFFAOYSA-N 0 0 344.205 4.293 50 0 EIAARN COc1cnc(-c2ccccn2)nc1Sc1cccc(Cl)c1 ZINC000003128549 564155341 /nfs/dbraw/zinc/15/53/41/564155341.db2.gz SCNLPUFJULYTHF-UHFFFAOYSA-N 0 0 329.812 4.352 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003192561 564155809 /nfs/dbraw/zinc/15/58/09/564155809.db2.gz HNPZTKSXABCZII-UHFFFAOYSA-N 0 0 346.434 4.232 50 0 EIAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000030367409 564155999 /nfs/dbraw/zinc/15/59/99/564155999.db2.gz YVLHDTZXGGOXRO-HNNXBMFYSA-N 0 0 329.783 4.046 50 0 EIAARN Cc1nc2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2s1 ZINC000003215075 564156041 /nfs/dbraw/zinc/15/60/41/564156041.db2.gz QHGUSCIWZBAAPB-UHFFFAOYSA-N 0 0 340.301 4.413 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1C)c1ccccc1 ZINC000003217239 564156082 /nfs/dbraw/zinc/15/60/82/564156082.db2.gz MGSRUMKBLUDONI-MRXNPFEDSA-N 0 0 345.826 4.324 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000003221724 564156217 /nfs/dbraw/zinc/15/62/17/564156217.db2.gz HORYKKSZAGYQKF-UHFFFAOYSA-N 0 0 334.803 4.022 50 0 EIAARN COc1cccc(OC)c1OCc1csc(-c2ccccc2)n1 ZINC000003242529 564156501 /nfs/dbraw/zinc/15/65/01/564156501.db2.gz BCHARIPYKIVIHL-UHFFFAOYSA-N 0 0 327.405 4.406 50 0 EIAARN C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003245793 564156565 /nfs/dbraw/zinc/15/65/65/564156565.db2.gz HEXMVSYYYIISCM-SNVBAGLBSA-N 0 0 344.238 4.444 50 0 EIAARN Cc1onc(NC(=O)c2ccc(Cl)cc2Cl)c1Br ZINC000003261788 564156706 /nfs/dbraw/zinc/15/67/06/564156706.db2.gz FQNMJUAIBRTCBS-UHFFFAOYSA-N 0 0 349.999 4.305 50 0 EIAARN Cc1ccc(-c2cc(CSCC(=O)NCCC(C)C)on2)cc1 ZINC000030527455 564156711 /nfs/dbraw/zinc/15/67/11/564156711.db2.gz UGNXCKFTGCBRDV-UHFFFAOYSA-N 0 0 332.469 4.046 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC=C(c3ccccc3)CC2)cc1 ZINC000003290722 564157091 /nfs/dbraw/zinc/15/70/91/564157091.db2.gz KIOPNTBWWZUGFS-MRXNPFEDSA-N 0 0 348.446 4.006 50 0 EIAARN C[C@H]1CCCN([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000058012618 564157195 /nfs/dbraw/zinc/15/71/95/564157195.db2.gz SACHTOPZGFUHHW-KSSFIOAISA-N 0 0 334.891 4.172 50 0 EIAARN O=C(Nc1nccs1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003360269 564157660 /nfs/dbraw/zinc/15/76/60/564157660.db2.gz WRDNTZCOFSIWOL-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 aggregator EIAARN C[C@@H](NC(=O)COc1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000003437204 564158153 /nfs/dbraw/zinc/15/81/53/564158153.db2.gz KRHYEONMJYRKEK-SNVBAGLBSA-N 0 0 342.197 4.389 50 0 EIAARN c1ccc2oc(CSc3nnc(CCC4CCCC4)[nH]3)nc2c1 ZINC000058381531 564158955 /nfs/dbraw/zinc/15/89/55/564158955.db2.gz BLNYUXZBUZXOBO-UHFFFAOYSA-N 0 0 328.441 4.361 50 0 EIAARN COc1ccccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000031273478 564159250 /nfs/dbraw/zinc/15/92/50/564159250.db2.gz YYCRIYLHKDJSRL-UHFFFAOYSA-N 0 0 328.393 4.281 50 0 EIAARN Cc1ccc(-c2cc(C(=O)NC(C)(C)C)c3c(C)noc3n2)s1 ZINC000058511453 564159268 /nfs/dbraw/zinc/15/92/68/564159268.db2.gz IGGGCANSITTWMQ-UHFFFAOYSA-N 0 0 329.425 4.096 50 0 EIAARN Cc1ccc(-c2nc(C(=O)Nc3nc(C4CC4)cs3)cs2)o1 ZINC000031287543 564159284 /nfs/dbraw/zinc/15/92/84/564159284.db2.gz TZCZOSDCMUESPS-UHFFFAOYSA-N 0 0 331.422 4.298 50 0 EIAARN O=C(CSCc1csc(-c2ccco2)n1)Nc1cccc(F)c1 ZINC000031420531 564159374 /nfs/dbraw/zinc/15/93/74/564159374.db2.gz WPAKBBMWWFPMTP-UHFFFAOYSA-N 0 0 348.424 4.414 50 0 EIAARN Cc1cc(C(=O)N(C)Cc2cccs2)c(C)n1Cc1ccccc1 ZINC000031526758 564159474 /nfs/dbraw/zinc/15/94/74/564159474.db2.gz SMGDOIWISTWBDE-UHFFFAOYSA-N 0 0 338.476 4.487 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1csc(Cc2ccccc2)n1 ZINC000031547925 564159521 /nfs/dbraw/zinc/15/95/21/564159521.db2.gz LRQPDBOJYXYRTN-UHFFFAOYSA-N 0 0 330.359 4.264 50 0 EIAARN CC(C)Oc1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000031776435 564159798 /nfs/dbraw/zinc/15/97/98/564159798.db2.gz UVZKWAUZWOYZDL-UHFFFAOYSA-N 0 0 334.213 4.489 50 0 EIAARN COc1ccccc1CC(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000031805553 564159873 /nfs/dbraw/zinc/15/98/73/564159873.db2.gz QRXDOZPQWJTMOW-IBGZPJMESA-N 0 0 329.465 4.347 50 0 EIAARN COc1ccc(CC(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 ZINC000031806337 564159895 /nfs/dbraw/zinc/15/98/95/564159895.db2.gz XRAYFQJMVAEJQA-LJQANCHMSA-N 0 0 329.465 4.347 50 0 EIAARN Cc1nc(Cc2ccccc2)sc1C(=O)NCCc1ccccc1 ZINC000031867919 564160067 /nfs/dbraw/zinc/16/00/67/564160067.db2.gz JOCPVIFAYHQOPY-UHFFFAOYSA-N 0 0 336.460 4.015 50 0 EIAARN O=C(/C=C/c1cccnc1)Nc1ccccc1-c1cn2ccsc2n1 ZINC000218559612 564160302 /nfs/dbraw/zinc/16/03/02/564160302.db2.gz ANQFFZSEUPZLDR-BQYQJAHWSA-N 0 0 346.415 4.110 50 0 EIAARN C[C@]12CC[C@@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000004081425 564160376 /nfs/dbraw/zinc/16/03/76/564160376.db2.gz UITNBJRZYAEYLY-TVEXYEQESA-N 0 0 344.495 4.386 50 0 biogenic EIAARN CC(=O)c1cc(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)cs1 ZINC000670459213 564160939 /nfs/dbraw/zinc/16/09/39/564160939.db2.gz CGSQGEKXXSNSSJ-IBGZPJMESA-N 0 0 327.449 4.048 50 0 EIAARN Cc1nn(C)c(C)c1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000032379997 564161311 /nfs/dbraw/zinc/16/13/11/564161311.db2.gz HOTNMLXBYPBVQL-OAQYLSRUSA-N 0 0 339.483 4.017 50 0 EIAARN CC(C)(c1ccc(F)cc1)C1([NH2+]Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263433174 564161684 /nfs/dbraw/zinc/16/16/84/564161684.db2.gz SUIAADFKGDXJBX-UHFFFAOYSA-N 0 0 327.399 4.124 50 0 EIAARN CC(C)n1cnnc1SCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000007980478 564161727 /nfs/dbraw/zinc/16/17/27/564161727.db2.gz ZIMVNHCJKJAQDI-UHFFFAOYSA-N 0 0 349.459 4.405 50 0 EIAARN COc1cc(C)c(NC(=O)c2ccc(CSC)cc2)cc1OC ZINC000007983742 564161789 /nfs/dbraw/zinc/16/17/89/564161789.db2.gz YJJPFABIIHLBTG-UHFFFAOYSA-N 0 0 331.437 4.128 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1cccc(Cl)c1)c1cc(F)ccc1O2 ZINC000008023622 564162190 /nfs/dbraw/zinc/16/21/90/564162190.db2.gz BGBHWHYGYAJDHV-RHSMWYFYSA-N 0 0 348.830 4.414 50 0 EIAARN Cc1noc(C)c1CCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000008038674 564162335 /nfs/dbraw/zinc/16/23/35/564162335.db2.gz BDFLJGQEGDMXBT-NRFANRHFSA-N 0 0 348.446 4.324 50 0 EIAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)s1 ZINC000008071438 564162510 /nfs/dbraw/zinc/16/25/10/564162510.db2.gz HNCFWGODASFDRE-UHFFFAOYSA-N 0 0 333.482 4.144 50 0 EIAARN O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccccn1 ZINC000008073304 564162535 /nfs/dbraw/zinc/16/25/35/564162535.db2.gz KVQMOLKGVBCTGG-UHFFFAOYSA-N 0 0 344.414 4.028 50 0 EIAARN Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)s1 ZINC000008103596 564162666 /nfs/dbraw/zinc/16/26/66/564162666.db2.gz DCBLRMKAMFWJBC-UHFFFAOYSA-N 0 0 342.489 4.347 50 0 EIAARN O=C(NCc1cccs1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000008130984 564163002 /nfs/dbraw/zinc/16/30/02/564163002.db2.gz YIYKVEYMOABTKU-UHFFFAOYSA-N 0 0 333.416 4.017 50 0 EIAARN COc1ccc(NC(C)=O)cc1NC(=O)C1CCC(C(C)(C)C)CC1 ZINC000008132037 564163051 /nfs/dbraw/zinc/16/30/51/564163051.db2.gz KFOFDPUCYVOSQN-UHFFFAOYSA-N 0 0 346.471 4.445 50 0 EIAARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)c1c[nH]c2ccccc21 ZINC000008134445 564163114 /nfs/dbraw/zinc/16/31/14/564163114.db2.gz LRIIDKYXDYORRB-GFCCVEGCSA-N 0 0 335.432 4.418 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2C)c(C)n1 ZINC000008139882 564163179 /nfs/dbraw/zinc/16/31/79/564163179.db2.gz CVBCMHOBNMYKEO-UHFFFAOYSA-N 0 0 349.887 4.348 50 0 EIAARN C[C@H](Sc1ncnc2ccccc21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000008189380 564163460 /nfs/dbraw/zinc/16/34/60/564163460.db2.gz LWDQCHJUZSWSSA-KBPBESRZSA-N 0 0 349.459 4.088 50 0 EIAARN C[C@H]1CCc2c(sc3ncnc(Sc4nnc(C5CC5)o4)c23)C1 ZINC000008198719 564163505 /nfs/dbraw/zinc/16/35/05/564163505.db2.gz TUFMGYURIJHJHS-QMMMGPOBSA-N 0 0 344.465 4.228 50 0 EIAARN Fc1ccc(-c2nnc(Sc3ncnc4sccc43)o2)cc1 ZINC000008198846 564163518 /nfs/dbraw/zinc/16/35/18/564163518.db2.gz YIOXQDYGHCNNLB-UHFFFAOYSA-N 0 0 330.369 4.032 50 0 EIAARN CC(=O)NCCc1ccc(-c2csc(Nc3ccccc3)n2)cc1 ZINC000008208280 564163550 /nfs/dbraw/zinc/16/35/50/564163550.db2.gz RRFHNYZXCBIKER-UHFFFAOYSA-N 0 0 337.448 4.232 50 0 EIAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 ZINC000008209523 564163601 /nfs/dbraw/zinc/16/36/01/564163601.db2.gz HVLKZJSESDAWIA-UHFFFAOYSA-N 0 0 336.416 4.370 50 0 EIAARN O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000008267708 564163898 /nfs/dbraw/zinc/16/38/98/564163898.db2.gz SLRLKULDMBMYPI-QWHCGFSZSA-N 0 0 341.282 4.444 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000008285937 564164012 /nfs/dbraw/zinc/16/40/12/564164012.db2.gz NSTDWCAKYOKMPX-UHFFFAOYSA-N 0 0 343.224 4.420 50 0 EIAARN O=C(/C=C/c1ccccc1)OCc1nc(-c2cccc(Cl)c2)no1 ZINC000008290915 564164035 /nfs/dbraw/zinc/16/40/35/564164035.db2.gz BYGMIDZTGSBYKE-MDZDMXLPSA-N 0 0 340.766 4.147 50 0 EIAARN O=C(NCc1ccccc1F)c1ccc(COc2ccccc2)cc1 ZINC000008312452 564164211 /nfs/dbraw/zinc/16/42/11/564164211.db2.gz FVCLJTPPTUBQRY-UHFFFAOYSA-N 0 0 335.378 4.335 50 0 EIAARN COc1ccc(CNC(=O)C2CCC(C(C)(C)C)CC2)cc1OC ZINC000008315779 564164229 /nfs/dbraw/zinc/16/42/29/564164229.db2.gz WWMXCMUOOQMDDY-UHFFFAOYSA-N 0 0 333.472 4.173 50 0 EIAARN O=C(Nc1ccccc1C(=O)OCCC(F)(F)F)c1ccccc1 ZINC000008327070 564164452 /nfs/dbraw/zinc/16/44/52/564164452.db2.gz FKWSMHJTLYQQOD-UHFFFAOYSA-N 0 0 337.297 4.048 50 0 EIAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000008327436 564164486 /nfs/dbraw/zinc/16/44/86/564164486.db2.gz WVNOCKDZGMOKKP-SJLPKXTDSA-N 0 0 349.478 4.402 50 0 EIAARN COc1ccc(Nc2ncnc3sc4c(c32)CCCCC4)cc1O ZINC000008346184 564164679 /nfs/dbraw/zinc/16/46/79/564164679.db2.gz WFXSIGIDDYKROC-UHFFFAOYSA-N 0 0 341.436 4.418 50 0 EIAARN COc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1Cl ZINC000008346715 564164681 /nfs/dbraw/zinc/16/46/81/564164681.db2.gz NZGTYUBJZZNHSN-UHFFFAOYSA-N 0 0 335.762 4.089 50 0 EIAARN O=C(Nn1cnc2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000008393598 564165022 /nfs/dbraw/zinc/16/50/22/564165022.db2.gz PGSHANFXOGYGIT-UHFFFAOYSA-N 0 0 329.359 4.213 50 0 EIAARN Cc1cc(C)n2cc(CSc3nc4cc(Cl)ccc4[nH]3)nc2n1 ZINC000008394111 564165033 /nfs/dbraw/zinc/16/50/33/564165033.db2.gz HBCLCXLDKDCTDR-UHFFFAOYSA-N 0 0 343.843 4.168 50 0 EIAARN COc1ccccc1CNC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000008395717 564165105 /nfs/dbraw/zinc/16/51/05/564165105.db2.gz KWFVVIGUISVKLF-UHFFFAOYSA-N 0 0 334.419 4.297 50 0 EIAARN Clc1cccc(-n2ncc3c2ncnc3NC2CCCCC2)c1 ZINC000008583031 564165840 /nfs/dbraw/zinc/16/58/40/564165840.db2.gz QOBXYZXYCVOFRL-UHFFFAOYSA-N 0 0 327.819 4.214 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2cccc(C)c2C)cc1 ZINC000008582995 564165842 /nfs/dbraw/zinc/16/58/42/564165842.db2.gz YCWDHLXFSWALEO-UHFFFAOYSA-N 0 0 329.407 4.484 50 0 EIAARN Cc1ccccc1NC(=O)CSc1cc(-c2ccccc2)nc(C)n1 ZINC000008654831 564166203 /nfs/dbraw/zinc/16/62/03/564166203.db2.gz WHLCPIYAZGOMPS-UHFFFAOYSA-N 0 0 349.459 4.491 50 0 EIAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccccc1Cl ZINC000008654202 564166213 /nfs/dbraw/zinc/16/62/13/564166213.db2.gz VNOCVFTXHZBTCK-KNTRCKAVSA-N 0 0 334.803 4.256 50 0 EIAARN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(F)c(F)c1 ZINC000008704187 564166409 /nfs/dbraw/zinc/16/64/09/564166409.db2.gz YSFSOSUVXVXYQR-UHFFFAOYSA-N 0 0 348.296 4.109 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1OC ZINC000008705485 564166444 /nfs/dbraw/zinc/16/64/44/564166444.db2.gz VEIOXRCYGDHZDD-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1 ZINC000008706076 564166485 /nfs/dbraw/zinc/16/64/85/564166485.db2.gz MKCDRWZDGNQFKA-CQSZACIVSA-N 0 0 341.436 4.063 50 0 EIAARN Cc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 ZINC000008747686 564167233 /nfs/dbraw/zinc/16/72/33/564167233.db2.gz IJWWTYFYHDPBMG-UHFFFAOYSA-N 0 0 342.345 4.500 50 0 EIAARN COc1ccc(-c2nnc(SCc3cccc(OC)c3)o2)cc1 ZINC000008749523 564167278 /nfs/dbraw/zinc/16/72/78/564167278.db2.gz ZRNSCLCMAMGQJN-UHFFFAOYSA-N 0 0 328.393 4.046 50 0 EIAARN CC(C)NC(=O)c1ccccc1-c1ccccc1C(=O)c1ccccn1 ZINC000039930425 564167699 /nfs/dbraw/zinc/16/76/99/564167699.db2.gz BMDNFPGIXYRZJJ-UHFFFAOYSA-N 0 0 344.414 4.118 50 0 EIAARN NC(=O)c1ccc(Cl)cc1NCc1csc(-c2ccsc2)n1 ZINC000172872380 564167857 /nfs/dbraw/zinc/16/78/57/564167857.db2.gz KEISCKRBYFNDCA-UHFFFAOYSA-N 0 0 349.868 4.236 50 0 EIAARN CCOc1ccccc1C(=O)N1CC=C(c2ccc(OC)cc2)CC1 ZINC000040119696 564168159 /nfs/dbraw/zinc/16/81/59/564168159.db2.gz YLCPNRFHKQUXNM-UHFFFAOYSA-N 0 0 337.419 4.023 50 0 EIAARN COc1ccc(C2=CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1 ZINC000040119684 564168179 /nfs/dbraw/zinc/16/81/79/564168179.db2.gz OXWNAEOZGCCNTD-UHFFFAOYSA-N 0 0 345.801 4.417 50 0 EIAARN CO[C@H](CNC(=O)c1ccccc1Cl)c1cc2ccccc2o1 ZINC000244998688 564168592 /nfs/dbraw/zinc/16/85/92/564168592.db2.gz KPPDXYBMJBNBEN-QGZVFWFLSA-N 0 0 329.783 4.204 50 0 EIAARN CCN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000245312473 564169058 /nfs/dbraw/zinc/16/90/58/564169058.db2.gz JKSOGEZRANEEKH-CUDHKJQZSA-N 0 0 338.426 4.205 50 0 EIAARN CC(C)(C)c1nc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)cs1 ZINC000069414595 564169214 /nfs/dbraw/zinc/16/92/14/564169214.db2.gz GJUMDJYKFVSDIF-UHFFFAOYSA-N 0 0 342.464 4.076 50 0 EIAARN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCCc2occc21 ZINC000069484165 564169820 /nfs/dbraw/zinc/16/98/20/564169820.db2.gz VXYQRHSSBOKFEN-AWEZNQCLSA-N 0 0 342.420 4.041 50 0 EIAARN O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1c1ccccn1 ZINC000069516325 564170053 /nfs/dbraw/zinc/17/00/53/564170053.db2.gz JNCZHBRKJRKJJB-NVXWUHKLSA-N 0 0 348.368 4.481 50 0 EIAARN Cc1noc(C)c1CCC(=O)N1CCSc2ccc(Cl)cc21 ZINC000040501044 564170129 /nfs/dbraw/zinc/17/01/29/564170129.db2.gz ICQRKHXBDBRPMD-UHFFFAOYSA-N 0 0 336.844 4.016 50 0 EIAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCC(OCc2ccccc2)CC1 ZINC000069530586 564170211 /nfs/dbraw/zinc/17/02/11/564170211.db2.gz IQHXCCFDICJIGV-OAHLLOKOSA-N 0 0 343.471 4.109 50 0 EIAARN CN(Cc1cccc(O)c1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000069561040 564170454 /nfs/dbraw/zinc/17/04/54/564170454.db2.gz PBSJEVMSPDVILC-INIZCTEOSA-N 0 0 337.341 4.087 50 0 EIAARN Cc1oc(-c2ccccc2)nc1COc1ccc(-c2nnco2)cc1 ZINC000069561993 564170459 /nfs/dbraw/zinc/17/04/59/564170459.db2.gz QJKUGYFQQAYPHN-UHFFFAOYSA-N 0 0 333.347 4.279 50 0 EIAARN Cc1nnc([C@@H](C)Sc2nnc(-c3c(C)cc(C)cc3C)o2)o1 ZINC000069581375 564170655 /nfs/dbraw/zinc/17/06/55/564170655.db2.gz GBGGQLPPTICPEI-LLVKDONJSA-N 0 0 330.413 4.207 50 0 EIAARN CCSc1ccc(Cl)cc1NC(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000069584007 564170683 /nfs/dbraw/zinc/17/06/83/564170683.db2.gz LMBOKRCDIXXDQL-UHFFFAOYSA-N 0 0 343.235 4.046 50 0 EIAARN Clc1cccc(-c2nnc(CSc3nccn3C3CC3)o2)c1 ZINC000069600772 564170842 /nfs/dbraw/zinc/17/08/42/564170842.db2.gz ICRSCRIOGKVCGT-UHFFFAOYSA-N 0 0 332.816 4.214 50 0 EIAARN Cc1cccc([C@H]2C[C@H]2C(=O)N(Cc2ccco2)Cc2cccnc2)c1 ZINC000069652843 564171139 /nfs/dbraw/zinc/17/11/39/564171139.db2.gz HNZXMRABPJUPER-NHCUHLMSSA-N 0 0 346.430 4.316 50 0 EIAARN C[C@@H](NC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1)c1nccs1 ZINC000069669058 564171416 /nfs/dbraw/zinc/17/14/16/564171416.db2.gz DTSHIBYWISTPQP-LLVKDONJSA-N 0 0 346.456 4.010 50 0 EIAARN CCn1nc(C)c(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C ZINC000069697560 564171490 /nfs/dbraw/zinc/17/14/90/564171490.db2.gz SSSSCNGMPTZRNJ-JTQLQIEISA-N 0 0 339.361 4.030 50 0 EIAARN Cc1ccsc1CNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000069697047 564171504 /nfs/dbraw/zinc/17/15/04/564171504.db2.gz AESRIYFFIRMEQD-GOSISDBHSA-N 0 0 337.448 4.040 50 0 EIAARN Cc1noc(C)c1CNC(=O)N[C@@H](C)c1oc2ccc(F)cc2c1C ZINC000069697565 564171514 /nfs/dbraw/zinc/17/15/14/564171514.db2.gz PUCHFXZZZBRVNA-NSHDSACASA-N 0 0 345.374 4.046 50 0 EIAARN CCN(C(=O)c1cc(C)on1)[C@@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000069700258 564171553 /nfs/dbraw/zinc/17/15/53/564171553.db2.gz QVIGTPLEWUDIJX-FQEVSTJZSA-N 0 0 349.434 4.247 50 0 EIAARN COc1cccc(CSCc2nnc(Cc3ccccc3)o2)c1 ZINC000069705549 564171676 /nfs/dbraw/zinc/17/16/76/564171676.db2.gz CTTJRKBYDJCJMS-UHFFFAOYSA-N 0 0 326.421 4.102 50 0 EIAARN Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000069780520 564172207 /nfs/dbraw/zinc/17/22/07/564172207.db2.gz FRSUOWICRQEGAX-AWEZNQCLSA-N 0 0 326.440 4.224 50 0 EIAARN Cc1nnc(COc2ccc(NC(=O)CCC3CCCCC3)cc2)o1 ZINC000069780346 564172211 /nfs/dbraw/zinc/17/22/11/564172211.db2.gz NZJICWRGQPXRGV-UHFFFAOYSA-N 0 0 343.427 4.256 50 0 EIAARN O=C(CCc1ccco1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000069811913 564172284 /nfs/dbraw/zinc/17/22/84/564172284.db2.gz NRTFKTBPPXYZJS-OAHLLOKOSA-N 0 0 338.407 4.146 50 0 EIAARN CC(C)(C)CC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000069869876 564172538 /nfs/dbraw/zinc/17/25/38/564172538.db2.gz LGNBYCZLLOHSKS-UHFFFAOYSA-N 0 0 343.496 4.347 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(C)nc2cc(F)ccc21 ZINC000069894235 564172677 /nfs/dbraw/zinc/17/26/77/564172677.db2.gz NNCBFSNVEPMDHX-UHFFFAOYSA-N 0 0 340.402 4.329 50 0 EIAARN O=C(Nc1cccc(-c2ncc[nH]2)c1)c1sccc1Br ZINC000069950860 564172868 /nfs/dbraw/zinc/17/28/68/564172868.db2.gz BCUQJBGZKSQPMX-UHFFFAOYSA-N 0 0 348.225 4.153 50 0 EIAARN O=C(c1ccccn1)N1CCC(c2nc(-c3ccccc3)cs2)CC1 ZINC000069951988 564172929 /nfs/dbraw/zinc/17/29/29/564172929.db2.gz SHNZVRDBXLEWKC-UHFFFAOYSA-N 0 0 349.459 4.225 50 0 EIAARN CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(C)cc1OC ZINC000041095044 564173096 /nfs/dbraw/zinc/17/30/96/564173096.db2.gz HECDJXLPVBENSQ-UHFFFAOYSA-N 0 0 345.892 4.000 50 0 EIAARN Cc1c(CSC(C)C)cccc1NC(=O)NC[C@H]1CCCOC1 ZINC000173878945 564173305 /nfs/dbraw/zinc/17/33/05/564173305.db2.gz GJYLXYRNHVPQIU-OAHLLOKOSA-N 0 0 336.501 4.185 50 0 EIAARN CC[C@@H](C)c1noc(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000041123107 564173378 /nfs/dbraw/zinc/17/33/78/564173378.db2.gz GDSRFYNXVNYVOR-GFCCVEGCSA-N 0 0 347.846 4.256 50 0 EIAARN Cc1ccccc1-c1nc([C@H](C)N2C(=O)c3ccccc3C2=O)cs1 ZINC000041195304 564173604 /nfs/dbraw/zinc/17/36/04/564173604.db2.gz WBIIVOYXAYLSMN-ZDUSSCGKSA-N 0 0 348.427 4.476 50 0 EIAARN CO[C@@H](C)c1cccc(NC(=O)NCCc2ccc(F)cc2F)c1 ZINC000070051762 564173609 /nfs/dbraw/zinc/17/36/09/564173609.db2.gz GXUKNOHRHQSXGF-LBPRGKRZSA-N 0 0 334.366 4.036 50 0 EIAARN CCc1ccc(NC(=O)CCCNc2ncnc3ccccc32)cc1 ZINC000041504699 564174002 /nfs/dbraw/zinc/17/40/02/564174002.db2.gz NNVOLJVLYCCWFX-UHFFFAOYSA-N 0 0 334.423 4.023 50 0 EIAARN O=C(C1CC(c2ccccc2)C1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000071834648 564175773 /nfs/dbraw/zinc/17/57/73/564175773.db2.gz USXCRHJTGVQJKL-LZBANZJXSA-N 0 0 349.474 4.152 50 0 EIAARN C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000071842122 564175867 /nfs/dbraw/zinc/17/58/67/564175867.db2.gz CVTBASIDJAHXSE-XZJROXQQSA-N 0 0 334.341 4.081 50 0 EIAARN CC[C@H](c1ccccc1)N(CC)C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000071844134 564175930 /nfs/dbraw/zinc/17/59/30/564175930.db2.gz UGSCCGRNAJAYCY-KBXCAEBGSA-N 0 0 327.472 4.140 50 0 EIAARN Cc1cc(NC(=O)[C@H](C)SCc2cccc(C(F)(F)F)c2)no1 ZINC000071877685 564176316 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ZINC000213920308 1045838394 /nfs/dbraw/zinc/83/83/94/1045838394.db2.gz KRNPBIVBCFYIGR-SREVYHEPSA-N 0 0 328.315 4.002 50 0 EIAARN O=C(C[C@H](c1ccccc1)C(F)(F)F)N(Cc1ccncc1)C1CC1 ZINC000264136821 1046713143 /nfs/dbraw/zinc/71/31/43/1046713143.db2.gz LIVUYMQYDGIOBL-QGZVFWFLSA-N 0 0 348.368 4.309 50 0 EIAARN CCc1ccc(C(=O)COC(=O)C=Cc2ccc3ccccc3n2)cc1 ZINC000033825025 1048020491 /nfs/dbraw/zinc/02/04/91/1048020491.db2.gz IFGHIUAKOMOYJR-YPKPFQOOSA-N 0 0 345.398 4.237 50 0 EIAARN O=C(Nc1cccc2cnccc21)N(C[C@H]1CCCO1)C1CCCC1 ZINC000175165227 1049155951 /nfs/dbraw/zinc/15/59/51/1049155951.db2.gz DZRISKVWVCSEMU-QGZVFWFLSA-N 0 0 339.439 4.190 50 0 EIAARN O=C(Nc1cccc2[nH]ccc21)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000175365397 1049331856 /nfs/dbraw/zinc/33/18/56/1049331856.db2.gz CNIVAAIPEQKDJC-HXUWFJFHSA-N 0 0 349.434 4.072 50 0 EIAARN Cc1ccc(N2C[C@H](c3nc(CCC(C)(C)C)no3)CC2=O)c(F)c1 ZINC000585081682 1049384737 /nfs/dbraw/zinc/38/47/37/1049384737.db2.gz GOWIDJPTDPCFEZ-CYBMUJFWSA-N 0 0 345.418 4.016 50 0 EIAARN CC[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 ZINC000585082400 1049390062 /nfs/dbraw/zinc/39/00/62/1049390062.db2.gz NEIKZETYPGYIIT-CVEARBPZSA-N 0 0 348.450 4.071 50 0 EIAARN CC(=O)[C@@H]1C[C@H](c2nc(-c3ccc(NC(C)(C)C)cn3)no2)C1(C)C ZINC000585084248 1049407858 /nfs/dbraw/zinc/40/78/58/1049407858.db2.gz RFPLICRFVVLHIQ-UONOGXRCSA-N 0 0 342.443 4.061 50 0 EIAARN COc1cccc(C2(c3noc(C4(C)CCC(OC)CC4)n3)CC2)c1 ZINC000585084292 1049412312 /nfs/dbraw/zinc/41/23/12/1049412312.db2.gz BVMQXTIDFUVERY-UHFFFAOYSA-N 0 0 342.439 4.005 50 0 EIAARN CC(C)CC1(C)CCN(C(=O)N[C@H](c2nccs2)C2CC2)CC1 ZINC000585085309 1049458816 /nfs/dbraw/zinc/45/88/16/1049458816.db2.gz MCORVKRHPLGQBZ-HNNXBMFYSA-N 0 0 335.517 4.452 50 0 EIAARN CCN(Cc1ccccn1)c1ccc([S@](=N)(=O)C(F)(F)F)cc1 ZINC000585092706 1049511331 /nfs/dbraw/zinc/51/13/31/1049511331.db2.gz JSXJCTFYHBEQNC-QHCPKHFHSA-N 0 0 343.374 4.034 50 0 EIAARN C[C@H](C(=O)N1CC=C(c2ccc(F)cc2)CC1)n1cnc2ccccc21 ZINC000193089336 1049512790 /nfs/dbraw/zinc/51/27/90/1049512790.db2.gz HNBGDWUWVHZGJN-OAHLLOKOSA-N 0 0 349.409 4.052 50 0 EIAARN CSC[C@H](C)c1nc(Cc2cc(Cl)c(N)c(Cl)c2)no1 ZINC000585120466 1049582270 /nfs/dbraw/zinc/58/22/70/1049582270.db2.gz OVFCADYVLVBMCG-ZETCQYMHSA-N 0 0 332.256 4.016 50 0 EIAARN CC[C@@H]1C[C@H](CC(=O)Nc2ccccc2-c2ncc(C)o2)CCO1 ZINC000585124416 1049587178 /nfs/dbraw/zinc/58/71/78/1049587178.db2.gz CIKSWPBLUWUOOQ-HUUCEWRRSA-N 0 0 328.412 4.184 50 0 EIAARN Cc1ccc(-c2noc([C@H]3CCO[C@H](c4ccccc4)O3)n2)cc1F ZINC000585133692 1049612233 /nfs/dbraw/zinc/61/22/33/1049612233.db2.gz RCDIXNCUIKAIGX-APWZRJJASA-N 0 0 340.354 4.361 50 0 EIAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)CC(C)(C)C)n2)cc1F ZINC000585133296 1049619504 /nfs/dbraw/zinc/61/95/04/1049619504.db2.gz DYQGHFLRBHLDPM-HNNXBMFYSA-N 0 0 345.418 4.284 50 0 EIAARN CCc1ccc([C@@H]2CN(C(=O)Nc3ccc4[nH]ccc4c3)CCO2)cc1 ZINC000192185664 1049645793 /nfs/dbraw/zinc/64/57/93/1049645793.db2.gz CYYYKEWFNVAWNQ-FQEVSTJZSA-N 0 0 349.434 4.336 50 0 EIAARN C[C@@H](C(=O)N1CCOc2cccc(F)c2C1)c1cc2ccccc2o1 ZINC000513079558 1049661118 /nfs/dbraw/zinc/66/11/18/1049661118.db2.gz HHKFUGITVADMOX-CYBMUJFWSA-N 0 0 339.366 4.097 50 0 EIAARN Cc1cc(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)cnc1C ZINC000952869955 1049678756 /nfs/dbraw/zinc/67/87/56/1049678756.db2.gz QWQMDLKRDHDPMT-UHFFFAOYSA-N 0 0 346.434 4.099 50 0 EIAARN CCn1ccc2ccc(C[N@H+](Cc3c(C)nn(C)c3C)C3CC3)cc21 ZINC000952868120 1049679862 /nfs/dbraw/zinc/67/98/62/1049679862.db2.gz BUWNNRRQKSDXAB-UHFFFAOYSA-N 0 0 336.483 4.176 50 0 EIAARN Cc1cc(NC(=O)[C@H](C)Cc2ccccc2)cc2sc(N)nc21 ZINC000952965777 1049683355 /nfs/dbraw/zinc/68/33/55/1049683355.db2.gz CONMEZREFDVBEP-GFCCVEGCSA-N 0 0 325.437 4.004 50 0 EIAARN Cc1c[nH]c2ccc(NC(=O)N3C[C@H](C)OC4(CCCCC4)C3)cc12 ZINC000952885669 1049683607 /nfs/dbraw/zinc/68/36/07/1049683607.db2.gz TZAJYQRMYDNDSW-HNNXBMFYSA-N 0 0 341.455 4.432 50 0 EIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1cccc2c1CCC2=O ZINC000952977097 1049686753 /nfs/dbraw/zinc/68/67/53/1049686753.db2.gz AUMILSYGCGQDEP-LJQANCHMSA-N 0 0 336.435 4.214 50 0 EIAARN CC[C@H](NCc1cnc(-c2ccco2)nc1)c1nc(C)c(C)s1 ZINC000952980080 1049687410 /nfs/dbraw/zinc/68/74/10/1049687410.db2.gz CIARIPWXBYNSPI-AWEZNQCLSA-N 0 0 328.441 4.051 50 0 EIAARN COC[C@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1ccccc1 ZINC000952968434 1049688611 /nfs/dbraw/zinc/68/86/11/1049688611.db2.gz GRCRRQLEZLUACP-OAQYLSRUSA-N 0 0 346.430 4.208 50 0 EIAARN CCCOc1c(Cl)cccc1NC(=O)CCc1c(C)noc1C ZINC000952991005 1049692305 /nfs/dbraw/zinc/69/23/05/1049692305.db2.gz YXJCKNDJMMCYQK-UHFFFAOYSA-N 0 0 336.819 4.305 50 0 EIAARN Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1cc2ccccc2o1 ZINC000180047015 1049830448 /nfs/dbraw/zinc/83/04/48/1049830448.db2.gz NARQBNIKHWCCCF-HNNXBMFYSA-N 0 0 337.423 4.146 50 0 EIAARN Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1cc2ccccc2o1 ZINC000180047035 1049830955 /nfs/dbraw/zinc/83/09/55/1049830955.db2.gz NARQBNIKHWCCCF-OAHLLOKOSA-N 0 0 337.423 4.146 50 0 EIAARN COc1ccc(Cl)cc1[C@H](C)Nc1cnn(Cc2ccccn2)c1 ZINC000182145517 1050505658 /nfs/dbraw/zinc/50/56/58/1050505658.db2.gz RVOLAKFNWCPURM-ZDUSSCGKSA-N 0 0 342.830 4.162 50 0 EIAARN O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccccc1Cl ZINC000010155760 1053046621 /nfs/dbraw/zinc/04/66/21/1053046621.db2.gz VINNOXVOLIBVHY-CYBMUJFWSA-N 0 0 331.799 4.150 50 0 EIAARN Cc1nc([C@@H](N[C@@H](C)[C@@H]2C[C@H]2C2CC2)c2ccc(Cl)cc2)no1 ZINC000527688056 1053471948 /nfs/dbraw/zinc/47/19/48/1053471948.db2.gz MZDJWFBRNZDUQC-KRTOXCLKSA-N 0 0 331.847 4.145 50 0 EIAARN C[C@@H](CNC(=O)c1ccccc1)c1noc(C2CCCCCC2)n1 ZINC000680779501 1053517772 /nfs/dbraw/zinc/51/77/72/1053517772.db2.gz JAQHCPWWATXLRY-AWEZNQCLSA-N 0 0 327.428 4.041 50 0 EIAARN CCc1oc2ccccc2c1CC(=O)N(Cc1cccnc1)C(C)C ZINC000528056762 1053547576 /nfs/dbraw/zinc/54/75/76/1053547576.db2.gz BFZCGWJPZSENRW-UHFFFAOYSA-N 0 0 336.435 4.370 50 0 EIAARN Cc1ccc2[nH]cc(CCC(=O)Nc3cnn([C@H](C)C4CC4)c3)c2c1 ZINC000186426288 1055728172 /nfs/dbraw/zinc/72/81/72/1055728172.db2.gz PQSCGZQKKQRZAK-CQSZACIVSA-N 0 0 336.439 4.215 50 0 EIAARN CO[C@@H](C)c1nsc(N2CCC[C@H]2c2nc3ccccc3s2)n1 ZINC000369334536 1055826509 /nfs/dbraw/zinc/82/65/09/1055826509.db2.gz LHNKNQZCOMXVKK-JQWIXIFHSA-N 0 0 346.481 4.197 50 0 EIAARN C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 ZINC000189647217 1059954607 /nfs/dbraw/zinc/95/46/07/1059954607.db2.gz WLXYWCXKZFCQPY-WFASDCNBSA-N 0 0 330.457 4.285 50 0 EIAARN COc1ccc(NC(=O)N2CC[C@H](CCOc3ccccc3)C2)cc1 ZINC000581788684 1059992260 /nfs/dbraw/zinc/99/22/60/1059992260.db2.gz SHCPEAJMXCMCHL-MRXNPFEDSA-N 0 0 340.423 4.018 50 0 EIAARN O=C(Nc1cccc(F)c1)N1CC[C@@H](CCOc2ccccc2)C1 ZINC000581788343 1059992588 /nfs/dbraw/zinc/99/25/88/1059992588.db2.gz HILQQBDUHGCHLW-HNNXBMFYSA-N 0 0 328.387 4.149 50 0 EIAARN CCc1cccc(NC(=O)CC2=C3CCCC[C@@H]3N(C(C)C)C2=O)c1 ZINC000581793385 1060007992 /nfs/dbraw/zinc/00/79/92/1060007992.db2.gz YAKMSQYNDWMWLS-IBGZPJMESA-N 0 0 340.467 4.067 50 0 EIAARN O=C(c1ccccc1)N1CCCCC[C@H]1c1nnc(-c2ccccc2)o1 ZINC000581790924 1060008626 /nfs/dbraw/zinc/00/86/26/1060008626.db2.gz ZYZOLUQWYKUYLP-SFHVURJKSA-N 0 0 347.418 4.494 50 0 EIAARN Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2nc(C3CC3)no2)c1 ZINC000581789590 1060009789 /nfs/dbraw/zinc/00/97/89/1060009789.db2.gz YOHAPWHDODFWLT-MRXNPFEDSA-N 0 0 340.427 4.405 50 0 EIAARN Cc1cnc([C@H]2CCN(C(=O)Nc3ccc(C)c(C)c3)C2)n1C(C)C ZINC000581815735 1060020913 /nfs/dbraw/zinc/02/09/13/1060020913.db2.gz HQCRGGFRHSTODP-KRWDZBQOSA-N 0 0 340.471 4.411 50 0 EIAARN Cc1cnc(-c2ccccc2)n1C1CCN(C(=O)C2CCCC2)CC1 ZINC000581808790 1060022374 /nfs/dbraw/zinc/02/23/74/1060022374.db2.gz MQVZKCKDNSEWLS-UHFFFAOYSA-N 0 0 337.467 4.212 50 0 EIAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCCCC1 ZINC000050078155 214043929 /nfs/dbraw/zinc/04/39/29/214043929.db2.gz OAGXGYULQBMPBK-UHFFFAOYSA-N 0 0 330.453 4.210 50 0 EIAARN COc1ccc(C(=O)N(C)Cc2cscn2)cc1-c1ccccc1 ZINC000050345999 214052898 /nfs/dbraw/zinc/05/28/98/214052898.db2.gz HLRDBNAUNQKYMG-UHFFFAOYSA-N 0 0 338.432 4.091 50 0 EIAARN Cc1ccc(C[C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)cc1 ZINC000050768780 214069591 /nfs/dbraw/zinc/06/95/91/214069591.db2.gz PLWNLIBFKZXQQF-GOSISDBHSA-N 0 0 345.446 4.033 50 0 EIAARN O=C1C[C@@H](c2cccs2)Cc2nc(Nc3ccc(F)cc3)ncc21 ZINC000004741439 210265659 /nfs/dbraw/zinc/26/56/59/210265659.db2.gz HQLPAYKKQOUMPK-NSHDSACASA-N 0 0 339.395 4.334 50 0 EIAARN CCSCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000097632070 219043004 /nfs/dbraw/zinc/04/30/04/219043004.db2.gz HZRAEEPUXVQMIJ-AGXSTUJCSA-N 0 0 343.536 4.394 50 0 EIAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3F)n[nH]2)cc1 ZINC000051315523 214087325 /nfs/dbraw/zinc/08/73/25/214087325.db2.gz BAJOPIQCOLQCIX-UHFFFAOYSA-N 0 0 339.370 4.175 50 0 EIAARN O=Cc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc12 ZINC000051319001 214088881 /nfs/dbraw/zinc/08/88/81/214088881.db2.gz ZHPIGRUWTSXWLI-UHFFFAOYSA-N 0 0 346.308 4.111 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000051354261 214089879 /nfs/dbraw/zinc/08/98/79/214089879.db2.gz UUVBDSAWJSEZNG-UHFFFAOYSA-N 0 0 326.396 4.433 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000051354303 214089941 /nfs/dbraw/zinc/08/99/41/214089941.db2.gz LKMZNVAJNUYYKE-UHFFFAOYSA-N 0 0 332.787 4.469 50 0 EIAARN CCn1cc(NC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000051190197 214083656 /nfs/dbraw/zinc/08/36/56/214083656.db2.gz SRPWYUNVPXTAGX-UHFFFAOYSA-N 0 0 341.242 4.267 50 0 EIAARN COc1ccc(Nc2c(-c3ccccc3)nc3ncccn32)cc1OC ZINC000004733994 210263807 /nfs/dbraw/zinc/26/38/07/210263807.db2.gz DIVGQYBFMKWXAA-UHFFFAOYSA-N 0 0 346.390 4.157 50 0 EIAARN Cc1ccc(OC2CCN(Cc3nnc(C(C)(C)C)o3)CC2)cc1C ZINC000051992328 214111453 /nfs/dbraw/zinc/11/14/53/214111453.db2.gz VTNTWRVTYAYUAM-UHFFFAOYSA-N 0 0 343.471 4.027 50 0 EIAARN O=C(/C=C/c1nccs1)OCc1csc(C2CCCCC2)n1 ZINC000051972038 214111511 /nfs/dbraw/zinc/11/15/11/214111511.db2.gz SWWAGAZWEAGQIF-VOTSOKGWSA-N 0 0 334.466 4.404 50 0 EIAARN CCCc1noc(CN(Cc2ccccc2C(F)(F)F)C2CC2)n1 ZINC000052045724 214114213 /nfs/dbraw/zinc/11/42/13/214114213.db2.gz YWBVHVOTKFFJJC-UHFFFAOYSA-N 0 0 339.361 4.206 50 0 EIAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)C(F)(F)c1ccccc1 ZINC000052449429 214129433 /nfs/dbraw/zinc/12/94/33/214129433.db2.gz NVUNQWSAPKMLHA-UHFFFAOYSA-N 0 0 345.374 4.265 50 0 EIAARN O=C(Nc1cccc(CNc2nc3ccccc3o2)c1)c1ccccn1 ZINC000052489116 214130560 /nfs/dbraw/zinc/13/05/60/214130560.db2.gz PWUROIOAJOAMSG-UHFFFAOYSA-N 0 0 344.374 4.087 50 0 EIAARN CC(C)[C@@H]1C=CCN1C(=O)Nc1ccc(OCc2ccccn2)cc1 ZINC000097657391 219045303 /nfs/dbraw/zinc/04/53/03/219045303.db2.gz ANBJIRNMCTXHTI-IBGZPJMESA-N 0 0 337.423 4.089 50 0 EIAARN CC(C)c1nc(CSc2nc(C3CC3)nc3ccccc32)no1 ZINC000052891381 214153878 /nfs/dbraw/zinc/15/38/78/214153878.db2.gz UNKPNISKLJJOTC-UHFFFAOYSA-N 0 0 326.425 4.306 50 0 EIAARN Cc1cccnc1NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000053281122 214174403 /nfs/dbraw/zinc/17/44/03/214174403.db2.gz DQRUMRNICKAZPF-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1ccc(C2=N/C(=C\c3ccccc3Br)C(=O)O2)cc1 ZINC000004714072 210256914 /nfs/dbraw/zinc/25/69/14/210256914.db2.gz SXUYRQGOJOJEBU-GDNBJRDFSA-N 0 0 342.192 4.102 50 0 EIAARN COc1cc2c(cc1OC)/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)N2 ZINC000004709873 210256555 /nfs/dbraw/zinc/25/65/55/210256555.db2.gz PMCITMSTGVFPRM-QPEQYQDCSA-N 0 0 349.308 4.215 50 0 EIAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1cccnc1 ZINC000053674458 214194088 /nfs/dbraw/zinc/19/40/88/214194088.db2.gz ZDVLINNFWTYMND-FQEVSTJZSA-N 0 0 328.371 4.347 50 0 EIAARN O=C(c1cccc2cccnc21)N1CCC(OCc2ccccc2)CC1 ZINC000053777895 214197444 /nfs/dbraw/zinc/19/74/44/214197444.db2.gz CHUCDEWMBOUKPT-UHFFFAOYSA-N 0 0 346.430 4.056 50 0 EIAARN c1nnc2c(Sc3nc4ccccc4s3)nc3ccccc3n12 ZINC000004707795 210254159 /nfs/dbraw/zinc/25/41/59/210254159.db2.gz UQSNBCDDQJFQAR-UHFFFAOYSA-N 0 0 335.417 4.038 50 0 EIAARN CCOC(=O)N(C)c1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000054312158 214230206 /nfs/dbraw/zinc/23/02/06/214230206.db2.gz HQGKXMQWJAKIMY-UHFFFAOYSA-N 0 0 337.379 4.013 50 0 EIAARN CCCCCC[C@H](C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000004699262 210251386 /nfs/dbraw/zinc/25/13/86/210251386.db2.gz IAYSTBNJYFOZCQ-HNNXBMFYSA-N 0 0 340.508 4.109 50 0 EIAARN CCCn1ncc(CN(Cc2ccsc2)Cc2cccnc2)c1C ZINC000055035858 214265280 /nfs/dbraw/zinc/26/52/80/214265280.db2.gz URJRIPLDJIAHKV-UHFFFAOYSA-N 0 0 340.496 4.260 50 0 EIAARN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)cs2)C1=O ZINC000004694871 210250979 /nfs/dbraw/zinc/25/09/79/210250979.db2.gz KGQGPEDHWGFXAZ-SYNIEDPSSA-N 0 0 346.271 4.345 50 0 EIAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccncc2Cl)cc1 ZINC000055071401 214269930 /nfs/dbraw/zinc/26/99/30/214269930.db2.gz SSXGFTYSHWCICW-UHFFFAOYSA-N 0 0 331.803 4.116 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)C1=NO[C@@H](c2ccccc2)C1 ZINC000055159002 214282326 /nfs/dbraw/zinc/28/23/26/214282326.db2.gz KQUZCFPRGRXXRZ-QGZVFWFLSA-N 0 0 349.415 4.266 50 0 EIAARN CC[C@H](c1ccc(OC)cc1)N(CC)C(=O)C1CCC(OC)CC1 ZINC000055196064 214286749 /nfs/dbraw/zinc/28/67/49/214286749.db2.gz ZQVMMSIAMBQTRS-NKELODKYSA-N 0 0 333.472 4.200 50 0 EIAARN Cc1cccc(-c2ncc(CN[C@H](C)c3cn4ccsc4n3)cn2)c1 ZINC000055211575 214289334 /nfs/dbraw/zinc/28/93/34/214289334.db2.gz OPGLTOHHOUIKHE-CQSZACIVSA-N 0 0 349.463 4.012 50 0 EIAARN CN(C(=O)c1ccc(NC(=O)c2ccco2)s1)C1CCCCCC1 ZINC000055318932 214306704 /nfs/dbraw/zinc/30/67/04/214306704.db2.gz FZSXKALKBAYJNB-UHFFFAOYSA-N 0 0 346.452 4.388 50 0 EIAARN Cc1ccc2occ(CN(Cc3ccccn3)CC(C)C)c(=O)c2c1 ZINC000055361123 214312013 /nfs/dbraw/zinc/31/20/13/214312013.db2.gz FGPZCAWEYJXHEA-UHFFFAOYSA-N 0 0 336.435 4.155 50 0 EIAARN CC(C)c1csc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000055360825 214311705 /nfs/dbraw/zinc/31/17/05/214311705.db2.gz GTOMAVDIEWFSGX-UHFFFAOYSA-N 0 0 344.459 4.428 50 0 EIAARN CN(CCSc1ccccc1)C(=O)c1ccc2ncsc2c1 ZINC000097775467 219056471 /nfs/dbraw/zinc/05/64/71/219056471.db2.gz UVKLFHDHIDALPR-UHFFFAOYSA-N 0 0 328.462 4.161 50 0 EIAARN CCCn1ncc(CN(Cc2nccs2)Cc2ccccc2)c1C ZINC000055568741 214330434 /nfs/dbraw/zinc/33/04/34/214330434.db2.gz KPZONGDMQWKMSC-UHFFFAOYSA-N 0 0 340.496 4.260 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=O)CCn2c3ccccc3oc2=S)[C@@H]1C ZINC000004686772 210247267 /nfs/dbraw/zinc/24/72/67/210247267.db2.gz PMBRAFYKURLEHX-MCIONIFRSA-N 0 0 332.469 4.295 50 0 biogenic EIAARN Cc1cc(/C=C/C(=O)NC[C@@H]2CCCOC2)c(C)n1C1CCCCC1 ZINC000055922539 214348910 /nfs/dbraw/zinc/34/89/10/214348910.db2.gz DAASZFLZINHEFX-ZGKFYVQTSA-N 0 0 344.499 4.166 50 0 EIAARN Cc1cccc(-c2n[nH]cc2C(=O)N(Cc2ccccn2)CC(C)C)c1 ZINC000097819564 219058815 /nfs/dbraw/zinc/05/88/15/219058815.db2.gz LIPLCBWZQDDQPM-UHFFFAOYSA-N 0 0 348.450 4.079 50 0 EIAARN O=C(C=C1CCCCC1)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000056350805 214372063 /nfs/dbraw/zinc/37/20/63/214372063.db2.gz QJGLTRRBZCBULK-QGZVFWFLSA-N 0 0 329.440 4.464 50 0 EIAARN C[C@H]1c2ccsc2CCN1C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000056737185 214386660 /nfs/dbraw/zinc/38/66/60/214386660.db2.gz YFQOOPBRVVBQTN-VIFPVBQESA-N 0 0 336.486 4.048 50 0 EIAARN CCOc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000057416172 214427703 /nfs/dbraw/zinc/42/77/03/214427703.db2.gz QFOPKQRXCZLFEE-UHFFFAOYSA-N 0 0 328.799 4.150 50 0 EIAARN COc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000057388447 214425292 /nfs/dbraw/zinc/42/52/92/214425292.db2.gz MXHVDWVNUDRCLT-SFHVURJKSA-N 0 0 344.842 4.124 50 0 EIAARN O=C(Nc1nnc(SCc2cccs2)s1)[C@H]1CC=CCC1 ZINC000057747026 214446987 /nfs/dbraw/zinc/44/69/87/214446987.db2.gz VWOSRAMFQUKREO-JTQLQIEISA-N 0 0 337.495 4.187 50 0 EIAARN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(C)c2)CC1 ZINC000004662524 210240087 /nfs/dbraw/zinc/24/00/87/210240087.db2.gz MAKLMFABABHANH-UHFFFAOYSA-N 0 0 330.472 4.045 50 0 EIAARN CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)c(C)c1 ZINC000004661206 210239606 /nfs/dbraw/zinc/23/96/06/210239606.db2.gz PNGOFFIYHGTABC-INIZCTEOSA-N 0 0 326.440 4.247 50 0 EIAARN CCOc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)cc1 ZINC000004654039 210239019 /nfs/dbraw/zinc/23/90/19/210239019.db2.gz UVGFPVDJCRFIPE-HDMKZQKVSA-N 0 0 347.455 4.172 50 0 EIAARN CCCCC(=O)Nc1ccc(C(=O)Nc2cccc(OC)c2)cc1 ZINC000004649101 210237102 /nfs/dbraw/zinc/23/71/02/210237102.db2.gz YCKZRANCPMENFE-UHFFFAOYSA-N 0 0 326.396 4.076 50 0 EIAARN CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccc(C)cc1 ZINC000004645880 210237223 /nfs/dbraw/zinc/23/72/23/210237223.db2.gz GGKYUHITYGTQFH-UHFFFAOYSA-N 0 0 335.455 4.189 50 0 EIAARN COCCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000058312856 214541812 /nfs/dbraw/zinc/54/18/12/214541812.db2.gz WJOAABUDNZMJOQ-UHFFFAOYSA-N 0 0 331.224 4.092 50 0 EIAARN C[C@H](NC(=O)/C=C\c1ccccc1)c1cccc(Br)c1 ZINC000098005559 219068122 /nfs/dbraw/zinc/06/81/22/219068122.db2.gz NLBKFLGYIVGFMZ-OEYXZAGESA-N 0 0 330.225 4.340 50 0 EIAARN CC[C@H](NC(=O)N1CCC2(C1)CCOCC2)c1cccc(Cl)c1 ZINC000098014408 219069589 /nfs/dbraw/zinc/06/95/89/219069589.db2.gz BGTQSUTTXFFBFH-INIZCTEOSA-N 0 0 336.863 4.003 50 0 EIAARN O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(-c2ccccc2)cc1 ZINC000058378146 214566011 /nfs/dbraw/zinc/56/60/11/214566011.db2.gz PULOJXVAVZFVAQ-FQEVSTJZSA-N 0 0 344.414 4.479 50 0 EIAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)CCO2 ZINC000058381059 214567963 /nfs/dbraw/zinc/56/79/63/214567963.db2.gz XCUAMTQDDBMWMB-UHFFFAOYSA-N 0 0 345.398 4.453 50 0 EIAARN C[C@@H](OC(=O)c1cccc(F)c1)c1nc2ccccc2n1C(F)F ZINC000058511914 214592925 /nfs/dbraw/zinc/59/29/25/214592925.db2.gz YIBJLVMUKARPMJ-SNVBAGLBSA-N 0 0 334.297 4.489 50 0 EIAARN C/C(=C\C(=O)Nc1cccc(Oc2cnccn2)c1)c1ccccc1F ZINC000098042642 219073761 /nfs/dbraw/zinc/07/37/61/219073761.db2.gz FVHNMINOMGOQPX-SDNWHVSQSA-N 0 0 349.365 4.450 50 0 EIAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c1 ZINC000004599620 210231144 /nfs/dbraw/zinc/23/11/44/210231144.db2.gz XYPMRHVIUVVABP-UHFFFAOYSA-N 0 0 348.855 4.254 50 0 EIAARN COc1ccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)c(Cl)c1 ZINC000004589670 210228193 /nfs/dbraw/zinc/22/81/93/210228193.db2.gz YPDUWUGAEAHPHM-NVNXTCNLSA-N 0 0 348.185 4.347 50 0 EIAARN COc1ccc(C2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 ZINC000004589816 210227631 /nfs/dbraw/zinc/22/76/31/210227631.db2.gz MNPRCBNXHKHQIO-DHDCSXOGSA-N 0 0 348.185 4.347 50 0 EIAARN Cn1ncc2c1NC(=O)CS[C@@H]2c1ccc(OC2CCCC2)cc1 ZINC000049544366 214016813 /nfs/dbraw/zinc/01/68/13/214016813.db2.gz RRTRMCPFIOLDLE-QGZVFWFLSA-N 0 0 343.452 4.166 50 0 EIAARN Cc1nn(C)c2c1[C@@H](c1cccc(OCC(C)C)c1)SCC(=O)N2 ZINC000049545483 214016956 /nfs/dbraw/zinc/01/69/56/214016956.db2.gz PMIPEYBANAXELX-QGZVFWFLSA-N 0 0 345.468 4.188 50 0 EIAARN Cc1ccc(-c2nc(CCNC(=O)/C=C/c3ccco3)cs2)cc1 ZINC000004570784 210222954 /nfs/dbraw/zinc/22/29/54/210222954.db2.gz QWAMSCNYLNFVRC-CMDGGOBGSA-N 0 0 338.432 4.084 50 0 EIAARN Cc1ccc(CN(CCCOC(C)C)C(=O)Nc2ccccc2)o1 ZINC000004556356 210220517 /nfs/dbraw/zinc/22/05/17/210220517.db2.gz HYKSNUVEZDABII-UHFFFAOYSA-N 0 0 330.428 4.437 50 0 EIAARN O=C(Nc1ccccn1)c1sc(-n2cccc2)nc1-c1ccccc1 ZINC000061718988 214673780 /nfs/dbraw/zinc/67/37/80/214673780.db2.gz XVKXSWRAHBEUER-UHFFFAOYSA-N 0 0 346.415 4.248 50 0 EIAARN C[C@@H]1C(=O)CCN(CC(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1 ZINC000061931297 214688017 /nfs/dbraw/zinc/68/80/17/214688017.db2.gz GIHFVUHAZSIUAO-QRQCRPRQSA-N 0 0 346.430 4.003 50 0 EIAARN Cc1ccc(Nc2ncncc2-c2nc(-c3ccsc3)no2)cc1 ZINC000098212676 219087353 /nfs/dbraw/zinc/08/73/53/219087353.db2.gz GWMQOGNEXYMEFO-UHFFFAOYSA-N 0 0 335.392 4.307 50 0 EIAARN COc1ccc(-c2noc(-c3ccccc3SC)n2)cc1OC ZINC000004520264 210212248 /nfs/dbraw/zinc/21/22/48/210212248.db2.gz YLFYOVPWARFHJN-UHFFFAOYSA-N 0 0 328.393 4.143 50 0 EIAARN CSc1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)o1 ZINC000004517444 210211765 /nfs/dbraw/zinc/21/17/65/210211765.db2.gz VSMBMWOKAYSMMJ-UHFFFAOYSA-N 0 0 345.811 4.364 50 0 EIAARN COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SC)cc1Cl ZINC000004514879 210209649 /nfs/dbraw/zinc/20/96/49/210209649.db2.gz BHFKADUENBYPHG-UKTHLTGXSA-N 0 0 348.811 4.048 50 0 EIAARN Cc1cccc(C2=N/C(=C\c3cc(Br)cs3)C(=O)O2)c1 ZINC000004508221 210208430 /nfs/dbraw/zinc/20/84/30/210208430.db2.gz XSDRHFSAJAOHGR-QPEQYQDCSA-N 0 0 348.221 4.164 50 0 EIAARN COc1cccc(CNCc2ccco2)c1OCc1ccccc1F ZINC000004488571 210201446 /nfs/dbraw/zinc/20/14/46/210201446.db2.gz HDNRTIGBEYRUTM-UHFFFAOYSA-N 0 0 341.382 4.296 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000004482372 210200093 /nfs/dbraw/zinc/20/00/93/210200093.db2.gz QFAIHEZZKXAUHZ-UHFFFAOYSA-N 0 0 339.464 4.360 50 0 EIAARN C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000004484981 210200244 /nfs/dbraw/zinc/20/02/44/210200244.db2.gz SJOODVKSVYJDCJ-SECBINFHSA-N 0 0 349.818 4.475 50 0 EIAARN O=C(Nc1ccc(F)cc1)N1CCC(COCc2ccccc2)CC1 ZINC000049447523 214008159 /nfs/dbraw/zinc/00/81/59/214008159.db2.gz OECXTYZHYYZXBK-UHFFFAOYSA-N 0 0 342.414 4.286 50 0 EIAARN Cc1ccc(CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000004477443 210198737 /nfs/dbraw/zinc/19/87/37/210198737.db2.gz YMGUSEKEEOELRT-QFIPXVFZSA-N 0 0 344.414 4.115 50 0 EIAARN Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)c1 ZINC000100743757 219105258 /nfs/dbraw/zinc/10/52/58/219105258.db2.gz VNJWARKBEPNOEI-KDURUIRLSA-N 0 0 333.387 4.243 50 0 EIAARN CCOC(=O)c1ccc(N[P@@](C)(=O)Oc2ccc(F)cc2)cc1 ZINC000100774244 219106731 /nfs/dbraw/zinc/10/67/31/219106731.db2.gz WQCGUGTWPGEYCJ-QHCPKHFHSA-N 0 0 337.287 4.316 50 0 EIAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000100800554 219107513 /nfs/dbraw/zinc/10/75/13/219107513.db2.gz KMLOBSGHLLHBMB-UWVGGRQHSA-N 0 0 331.721 4.038 50 0 EIAARN Cc1ccc(C)c(-c2cn3ccn(-c4ccc(Cl)cc4)c(=O)c3n2)c1 ZINC000064670232 214799664 /nfs/dbraw/zinc/79/96/64/214799664.db2.gz DJSJPUXZDQXDSV-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1cccs1 ZINC000004393830 210187681 /nfs/dbraw/zinc/18/76/81/210187681.db2.gz HZGNGYZECJMLRB-UHFFFAOYSA-N 0 0 343.429 4.220 50 0 EIAARN CCNC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000064677247 214800480 /nfs/dbraw/zinc/80/04/80/214800480.db2.gz AKWXLPJRDSKFNT-UHFFFAOYSA-N 0 0 345.855 4.068 50 0 EIAARN CC(C)n1cnc2cc(CNC(=O)c3c(F)cccc3Cl)ccc21 ZINC000064754917 214801615 /nfs/dbraw/zinc/80/16/15/214801615.db2.gz LLKLZTNADKPSRJ-UHFFFAOYSA-N 0 0 345.805 4.340 50 0 EIAARN Cc1ccc(CNc2ncnc3c(-c4ccc(Cl)cc4)noc32)o1 ZINC000064658437 214797624 /nfs/dbraw/zinc/79/76/24/214797624.db2.gz JEVIZTPWHBJMCQ-UHFFFAOYSA-N 0 0 340.770 4.452 50 0 EIAARN CC(C)Cn1cc(C(=O)Oc2ccc(F)cc2)c2ccccc2c1=O ZINC000064666545 214798642 /nfs/dbraw/zinc/79/86/42/214798642.db2.gz KSQSESRMZJHOPP-UHFFFAOYSA-N 0 0 339.366 4.016 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000004385035 210184459 /nfs/dbraw/zinc/18/44/59/210184459.db2.gz SISXMXSDJSQZBR-CYBMUJFWSA-N 0 0 339.826 4.230 50 0 EIAARN COc1ccc(Br)c(C[C@@H]2C(=O)Nc3ccc(C)cc32)c1 ZINC000101016406 219113672 /nfs/dbraw/zinc/11/36/72/219113672.db2.gz FTEPSPRMOAUDOI-AWEZNQCLSA-N 0 0 346.224 4.045 50 0 EIAARN CCOc1ccc(Br)c(C[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000101013948 219113939 /nfs/dbraw/zinc/11/39/39/219113939.db2.gz JLIBISSEDSEWJL-AWEZNQCLSA-N 0 0 346.224 4.126 50 0 EIAARN CC1=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C1 ZINC000101105942 219115950 /nfs/dbraw/zinc/11/59/50/219115950.db2.gz KMFCGRFHIFHIHO-MOPGFXCFSA-N 0 0 333.387 4.325 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3NCc2ccccc2Cl)cc1 ZINC000004354912 210179543 /nfs/dbraw/zinc/17/95/43/210179543.db2.gz BYFJARUGXKMUMY-UHFFFAOYSA-N 0 0 349.825 4.389 50 0 EIAARN CCN(c1ncnc2c1cnn2-c1ccc(C)cc1)C1CCCCC1 ZINC000004354995 210179569 /nfs/dbraw/zinc/17/95/69/210179569.db2.gz UCVQCUROELEYHI-UHFFFAOYSA-N 0 0 335.455 4.283 50 0 EIAARN Fc1cccc(Oc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000004355246 210179273 /nfs/dbraw/zinc/17/92/73/210179273.db2.gz RRKGIYKSFXFXFL-UHFFFAOYSA-N 0 0 340.745 4.400 50 0 EIAARN CN(Cc1ccccc1)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173414 219118982 /nfs/dbraw/zinc/11/89/82/219118982.db2.gz RCKNWYLUTXSHJF-NRFANRHFSA-N 0 0 328.415 4.212 50 0 EIAARN C[N@H+](CCOc1ccccc1C(=O)[O-])Cc1csc2ccccc12 ZINC000183913475 529927299 /nfs/dbraw/zinc/92/72/99/529927299.db2.gz WSFHMRSEHDGDQF-UHFFFAOYSA-N 0 0 341.432 4.110 50 0 EIAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2c(C)cccc2C)cc1 ZINC000065084288 214827306 /nfs/dbraw/zinc/82/73/06/214827306.db2.gz DRZKGXLUSPJRNI-UHFFFAOYSA-N 0 0 346.430 4.283 50 0 EIAARN O=C(C1=NNC[C@@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000004343153 210175387 /nfs/dbraw/zinc/17/53/87/210175387.db2.gz IFQPBZJRIGEGLS-GOSISDBHSA-N 0 0 334.806 4.419 50 0 EIAARN CCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2 ZINC000004336123 210174458 /nfs/dbraw/zinc/17/44/58/210174458.db2.gz WUIQZACHAGLCKW-UHFFFAOYSA-N 0 0 330.453 4.436 50 0 EIAARN COC(=O)c1cc(Nc2cccc(Cl)c2)c2cccc(OC)c2n1 ZINC000065033637 214824250 /nfs/dbraw/zinc/82/42/50/214824250.db2.gz NZJHKWLZDDUCQA-UHFFFAOYSA-N 0 0 342.782 4.427 50 0 EIAARN O=C(C1CCCC1)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135238 214831416 /nfs/dbraw/zinc/83/14/16/214831416.db2.gz SNMHKKMYKPLKTO-GOSISDBHSA-N 0 0 335.451 4.040 50 0 EIAARN CCc1cccc2sc(NC(=O)c3ccc(OC)cc3OC)nc21 ZINC000004325761 210171839 /nfs/dbraw/zinc/17/18/39/210171839.db2.gz FZDZXGCNKGFZNO-UHFFFAOYSA-N 0 0 342.420 4.128 50 0 EIAARN COc1ccc2oc(C(=O)OCc3ccc(OC)c(F)c3)c(C)c2c1 ZINC000004319132 210170930 /nfs/dbraw/zinc/17/09/30/210170930.db2.gz CMYJVPIGFDUNNU-UHFFFAOYSA-N 0 0 344.338 4.255 50 0 EIAARN CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000004323003 210169854 /nfs/dbraw/zinc/16/98/54/210169854.db2.gz YOOKKGANNLOXMM-UHFFFAOYSA-N 0 0 345.406 4.266 50 0 EIAARN C[C@H](OCC1CC1)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000048374175 213934560 /nfs/dbraw/zinc/93/45/60/213934560.db2.gz KLHPTSQPPMZLKN-AWEZNQCLSA-N 0 0 342.464 4.128 50 0 EIAARN Clc1ccc(OCc2csc(-c3ncccn3)n2)c(Cl)c1 ZINC000048355526 213929765 /nfs/dbraw/zinc/92/97/65/213929765.db2.gz YIBLRSANKHETRO-UHFFFAOYSA-N 0 0 338.219 4.486 50 0 EIAARN CC(C)OCc1cccc(CNC(=O)c2cc(Cl)ccc2F)c1 ZINC000048373983 213933402 /nfs/dbraw/zinc/93/34/02/213933402.db2.gz DFOWEFIXGUGARX-UHFFFAOYSA-N 0 0 335.806 4.334 50 0 EIAARN Cc1ccc(C(=O)c2sc(Nc3ccc(F)cc3)nc2N)cc1 ZINC000004299062 210163188 /nfs/dbraw/zinc/16/31/88/210163188.db2.gz XDXSUVZIICOBOE-UHFFFAOYSA-N 0 0 327.384 4.147 50 0 EIAARN Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000004293506 210162902 /nfs/dbraw/zinc/16/29/02/210162902.db2.gz GAZMCGHPHRQBPT-NHCUHLMSSA-N 0 0 349.455 4.482 50 0 EIAARN CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000004283720 210160640 /nfs/dbraw/zinc/16/06/40/210160640.db2.gz HFDVRTZOGAWCCE-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN COc1cc(C)ccc1Oc1ccc(NC(=O)NC2CCCC2)cn1 ZINC000048326472 213921613 /nfs/dbraw/zinc/92/16/13/213921613.db2.gz YZBINKGGHGCUCR-UHFFFAOYSA-N 0 0 341.411 4.255 50 0 EIAARN Cc1nc2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)cc2nc1C ZINC000048303771 213916795 /nfs/dbraw/zinc/91/67/95/213916795.db2.gz FYWBYWZPCCNLDF-PXAZEXFGSA-N 0 0 349.434 4.235 50 0 EIAARN COc1ccc(C(=O)c2cnc3ccccc3c2N2CCCCC2)cc1 ZINC000101552037 219135290 /nfs/dbraw/zinc/13/52/90/219135290.db2.gz FEAVWMJKPUHEHU-UHFFFAOYSA-N 0 0 346.430 4.465 50 0 EIAARN CCOC(=O)c1ccsc1NC(=O)c1ccc2ccccc2c1 ZINC000004275716 210158484 /nfs/dbraw/zinc/15/84/84/210158484.db2.gz RYBWHUGGDNHSHZ-UHFFFAOYSA-N 0 0 325.389 4.330 50 0 EIAARN Cc1cc(Br)c(I)cc1Cl ZINC000065337155 214872156 /nfs/dbraw/zinc/87/21/56/214872156.db2.gz GDJJZCBMGAOLJR-UHFFFAOYSA-N 0 0 331.378 4.016 50 0 EIAARN CCOc1cccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)c1 ZINC000065331572 214872476 /nfs/dbraw/zinc/87/24/76/214872476.db2.gz XYNXTKZWMQDFOW-SFHVURJKSA-N 0 0 347.418 4.054 50 0 EIAARN CCCSc1nc2c(c(=O)n1CCc1ccccc1)S[C@H](C)C2 ZINC000004265129 210154948 /nfs/dbraw/zinc/15/49/48/210154948.db2.gz QAVCLESTFGDLSB-CYBMUJFWSA-N 0 0 346.521 4.025 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000048250295 213902710 /nfs/dbraw/zinc/90/27/10/213902710.db2.gz HCIUJFNGDIUTBY-HNNXBMFYSA-N 0 0 345.446 4.009 50 0 EIAARN O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)c1ccccc1 ZINC000004251295 210152702 /nfs/dbraw/zinc/15/27/02/210152702.db2.gz UUKXBFWFDMCLHK-UHFFFAOYSA-N 0 0 345.427 4.371 50 0 EIAARN C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)c1c[nH]c2ccccc21 ZINC000004242445 210150040 /nfs/dbraw/zinc/15/00/40/210150040.db2.gz GBGHPBLFPPWVIY-VIFPVBQESA-N 0 0 333.796 4.311 50 0 EIAARN CCOc1ccccc1NCn1nc(-c2ccccc2O)oc1=S ZINC000004179826 210139936 /nfs/dbraw/zinc/13/99/36/210139936.db2.gz FYXKVGASNOIPJT-UHFFFAOYSA-N 0 0 343.408 4.046 50 0 EIAARN CCSc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 ZINC000004174453 210139665 /nfs/dbraw/zinc/13/96/65/210139665.db2.gz MQKLUQFTCMDFPD-UHFFFAOYSA-N 0 0 345.902 4.034 50 0 EIAARN Cc1csc2nc(CSc3nnc(-c4ccccc4)o3)cn12 ZINC000004150382 210132005 /nfs/dbraw/zinc/13/20/05/210132005.db2.gz IXIUTGXKNNGXAY-UHFFFAOYSA-N 0 0 328.422 4.047 50 0 EIAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(F)c(F)c1 ZINC000004138210 210129915 /nfs/dbraw/zinc/12/99/15/210129915.db2.gz XGFKTVXEXIDGDQ-UHFFFAOYSA-N 0 0 340.373 4.255 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000004135030 210129412 /nfs/dbraw/zinc/12/94/12/210129412.db2.gz NRHMWNNKJMFOTL-UHFFFAOYSA-N 0 0 336.391 4.082 50 0 EIAARN O=C(Nc1cc(F)cc(F)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000046864154 213814115 /nfs/dbraw/zinc/81/41/15/213814115.db2.gz AGVICQTZSIBIPK-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN O=C(Cc1ccccc1)N1CCN=C1SCc1ccccc1Cl ZINC000004120279 210125476 /nfs/dbraw/zinc/12/54/76/210125476.db2.gz IGDGXXAQLZJGPD-UHFFFAOYSA-N 0 0 344.867 4.014 50 0 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344.386 4.212 50 0 EIAARN Cc1c(-c2cccc(NC(=O)c3cccc(C)c3)c2)nc2ncccn12 ZINC000004033184 210104409 /nfs/dbraw/zinc/10/44/09/210104409.db2.gz PYOCVZVJQCSAAS-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Cc1c(-c2cccc(NC(=O)c3ccccc3C)c2)nc2ncccn12 ZINC000004033183 210104126 /nfs/dbraw/zinc/10/41/26/210104126.db2.gz CJKDPQASEWGSLU-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 ZINC000004039126 210106152 /nfs/dbraw/zinc/10/61/52/210106152.db2.gz ZXCNBPBAEBSWRS-OAHLLOKOSA-N 0 0 343.423 4.280 50 0 EIAARN O=c1[nH]c(-c2ccc(Br)cc2)cn1-c1cccc(Cl)c1 ZINC000003909688 210092967 /nfs/dbraw/zinc/09/29/67/210092967.db2.gz NPQUVRDKZONYFM-UHFFFAOYSA-N 0 0 349.615 4.249 50 0 EIAARN CC(C)(C)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000003912440 210093043 /nfs/dbraw/zinc/09/30/43/210093043.db2.gz SLVOWXSUWGSSEC-UHFFFAOYSA-N 0 0 335.860 4.257 50 0 EIAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1ccc(Cl)cc1 ZINC000003911955 210092713 /nfs/dbraw/zinc/09/27/13/210092713.db2.gz 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O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003560984 210055079 /nfs/dbraw/zinc/05/50/79/210055079.db2.gz CFZAHNWCRXFUAY-UHFFFAOYSA-N 0 0 329.705 4.420 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 ZINC000003452312 210044525 /nfs/dbraw/zinc/04/45/25/210044525.db2.gz ZHTYZEHFEWOIKQ-UHFFFAOYSA-N 0 0 347.370 4.247 50 0 EIAARN Brc1ccc(CSc2nncn2-c2ccccc2)cc1 ZINC000003452886 210044241 /nfs/dbraw/zinc/04/42/41/210044241.db2.gz TWLKTWRICKOASC-UHFFFAOYSA-N 0 0 346.253 4.322 50 0 EIAARN CSc1nc2ccc(NC(=O)c3ccc(Cl)nc3)cc2s1 ZINC000003431136 210037039 /nfs/dbraw/zinc/03/70/39/210037039.db2.gz PIFSQKKQMBBPAQ-UHFFFAOYSA-N 0 0 335.841 4.319 50 0 EIAARN Cc1cc2oc(=O)cc(CSc3nncs3)c2cc1C(C)C ZINC000003413168 210030976 /nfs/dbraw/zinc/03/09/76/210030976.db2.gz JJFOWGZJAYNIEE-UHFFFAOYSA-N 0 0 332.450 4.369 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)N1CC=C(c2ccccc2)CC1 ZINC000003405572 210029911 /nfs/dbraw/zinc/02/99/11/210029911.db2.gz VVJJWYFTQDVXGE-UHFFFAOYSA-N 0 0 330.431 4.416 50 0 EIAARN Cc1c(C(=O)N2CCCCC[C@H]2c2ccncc2)cnn1C(C)(C)C ZINC000044525280 213630785 /nfs/dbraw/zinc/63/07/85/213630785.db2.gz GNVOPIDCEDAQIZ-SFHVURJKSA-N 0 0 340.471 4.099 50 0 EIAARN O=C1NC2(CCCCCC2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000003407854 210029407 /nfs/dbraw/zinc/02/94/07/210029407.db2.gz NISRWHFLJUVBJM-UHFFFAOYSA-N 0 0 341.238 4.138 50 0 EIAARN CC(=O)c1cccc(OCCCCOc2cccc(C(C)=O)c2)c1 ZINC000003388060 210024947 /nfs/dbraw/zinc/02/49/47/210024947.db2.gz HSVRIPQAWOBSIT-UHFFFAOYSA-N 0 0 326.392 4.330 50 0 EIAARN COc1cccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c1OC ZINC000102730137 219225876 /nfs/dbraw/zinc/22/58/76/219225876.db2.gz TTXVJOCFLPDBGL-INIZCTEOSA-N 0 0 340.379 4.214 50 0 EIAARN O=C(O[C@H]1CCCCC1=O)c1c2ccccc2nc2c1CCCCC2 ZINC000003375027 210021688 /nfs/dbraw/zinc/02/16/88/210021688.db2.gz GRPKOJICCFFJCE-IBGZPJMESA-N 0 0 337.419 4.172 50 0 EIAARN COc1cccc2cc([C@@H](C)NCc3nc4ccccc4n3C)oc21 ZINC000066970978 215100442 /nfs/dbraw/zinc/10/04/42/215100442.db2.gz STNIOSDIWAJKJL-CYBMUJFWSA-N 0 0 335.407 4.179 50 0 EIAARN CN(Cc1cccs1)c1nc(-c2cccnc2)nc2ccccc21 ZINC000003358112 210016478 /nfs/dbraw/zinc/01/64/78/210016478.db2.gz FTIUOGWFBBKQAY-UHFFFAOYSA-N 0 0 332.432 4.390 50 0 EIAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ccccc2)s1 ZINC000003344588 210012845 /nfs/dbraw/zinc/01/28/45/210012845.db2.gz WIMKYYHROHOZHS-UHFFFAOYSA-N 0 0 336.460 4.286 50 0 EIAARN COC(=O)c1c(C)[nH]c(-c2csc(-c3cccc(OC)c3)n2)c1C ZINC000003324285 210006889 /nfs/dbraw/zinc/00/68/89/210006889.db2.gz UUGCYEGTXHTWGL-UHFFFAOYSA-N 0 0 342.420 4.217 50 0 EIAARN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000003333442 210010815 /nfs/dbraw/zinc/01/08/15/210010815.db2.gz YCOGXTGDPNENDO-NSHDSACASA-N 0 0 325.305 4.264 50 0 EIAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(Cl)cc1 ZINC000003334250 210010905 /nfs/dbraw/zinc/01/09/05/210010905.db2.gz JSUVVNVKWQLWOM-UHFFFAOYSA-N 0 0 344.842 4.139 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2ccc(OCCC(C)C)cc2)cc1 ZINC000003300304 210001504 /nfs/dbraw/zinc/00/15/04/210001504.db2.gz YHYZXYDRAKENMT-UHFFFAOYSA-N 0 0 340.423 4.322 50 0 EIAARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCc2ccccc21 ZINC000003323505 210006596 /nfs/dbraw/zinc/00/65/96/210006596.db2.gz MONRFQUCCZUTLC-LLVKDONJSA-N 0 0 335.234 4.383 50 0 EIAARN FC(F)(F)c1nc(-c2ccc(-c3ccccc3)nc2Cl)no1 ZINC000043828102 213598502 /nfs/dbraw/zinc/59/85/02/213598502.db2.gz MWCZTICCTDGJJU-UHFFFAOYSA-N 0 0 325.677 4.471 50 0 EIAARN CCOC(=O)c1cc(-c2cc3ccccc3o2)nn1-c1ccccc1 ZINC000003308397 210003355 /nfs/dbraw/zinc/00/33/55/210003355.db2.gz BHTIDXACTTUTKI-UHFFFAOYSA-N 0 0 332.359 4.462 50 0 EIAARN Cn1ccnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000003295561 209999693 /nfs/dbraw/zinc/99/96/93/209999693.db2.gz JRSWBKAZGSLQMZ-UHFFFAOYSA-N 0 0 335.517 4.006 50 0 EIAARN CCCCc1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1 ZINC000003279792 209997103 /nfs/dbraw/zinc/99/71/03/209997103.db2.gz TYHVHQIEYOFZDT-VAWYXSNFSA-N 0 0 343.448 4.286 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000043388674 213580423 /nfs/dbraw/zinc/58/04/23/213580423.db2.gz BGGHQLWBGOXFGU-OAHLLOKOSA-N 0 0 344.436 4.212 50 0 EIAARN CCc1ccccc1C(=O)c1ccc(I)cc1 ZINC000043210154 213567936 /nfs/dbraw/zinc/56/79/36/213567936.db2.gz ZAOPLTBXCKQXTJ-UHFFFAOYSA-N 0 0 336.172 4.085 50 0 EIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nccs1 ZINC000003216245 209979971 /nfs/dbraw/zinc/97/99/71/209979971.db2.gz GJEBJRAZCQNXRK-UHFFFAOYSA-N 0 0 337.763 4.151 50 0 EIAARN CC(C)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2Cl)cc1 ZINC000003235529 209984756 /nfs/dbraw/zinc/98/47/56/209984756.db2.gz BVPMVKOHCHBCDH-UHFFFAOYSA-N 0 0 349.789 4.398 50 0 EIAARN CCc1nc(-c2nccn2Cc2cccc(C(F)(F)F)c2)c(C)[nH]1 ZINC000067588645 215165585 /nfs/dbraw/zinc/16/55/85/215165585.db2.gz LZJLSLMTQXKPRJ-UHFFFAOYSA-N 0 0 334.345 4.211 50 0 EIAARN O=C1N[C@@](c2ccccc2)(C(F)(F)F)SC2=CCCCCN12 ZINC000003145504 209971276 /nfs/dbraw/zinc/97/12/76/209971276.db2.gz IWJPJJGWCQBIIU-CQSZACIVSA-N 0 0 328.359 4.185 50 0 EIAARN COc1ccc(C[NH+]2CCCC2)cc1Oc1cccc(C(C)=O)c1 ZINC000067757306 215205225 /nfs/dbraw/zinc/20/52/25/215205225.db2.gz AQYLLIZCCPYBQB-UHFFFAOYSA-N 0 0 325.408 4.286 50 0 EIAARN c1ccc(-c2noc(-c3ccccc3-c3n[nH]c(C4CC4)n3)n2)cc1 ZINC000067771212 215208365 /nfs/dbraw/zinc/20/83/65/215208365.db2.gz PJOWAUPNQKTDKE-UHFFFAOYSA-N 0 0 329.363 4.066 50 0 EIAARN C[C@@H](c1ccncn1)N(C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000067787209 215211803 /nfs/dbraw/zinc/21/18/03/215211803.db2.gz XRGCTOWCPBQALA-HNNXBMFYSA-N 0 0 343.434 4.213 50 0 EIAARN Cc1ccc(C)c(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1 ZINC000002908296 209940356 /nfs/dbraw/zinc/94/03/56/209940356.db2.gz DRJUKJPPICLAFN-UHFFFAOYSA-N 0 0 345.472 4.035 50 0 EIAARN COc1ccc(NC(=S)Nc2cnc3ccccc3c2)c(OC)c1 ZINC000002883016 209936497 /nfs/dbraw/zinc/93/64/97/209936497.db2.gz QTVNERJCMPZHFE-UHFFFAOYSA-N 0 0 339.420 4.061 50 0 EIAARN c1coc([C@@H]2CCCN2Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067820743 215221366 /nfs/dbraw/zinc/22/13/66/215221366.db2.gz UDCMMVGNGXJYJB-IBGZPJMESA-N 0 0 344.418 4.326 50 0 EIAARN COc1cc(C(=O)N2CCCC2)cc(Cl)c1OCc1ccccc1 ZINC000002872013 209932137 /nfs/dbraw/zinc/93/21/37/209932137.db2.gz GQYIXXGFAUIWAZ-UHFFFAOYSA-N 0 0 345.826 4.164 50 0 EIAARN c1c[nH]c(-c2c(-c3ccccc3)ncn2CCOc2ccccc2)n1 ZINC000067871873 215236253 /nfs/dbraw/zinc/23/62/53/215236253.db2.gz VTFXPJPIQQMMNU-UHFFFAOYSA-N 0 0 330.391 4.019 50 0 EIAARN FC(F)(F)c1cccc2c(N3CCC[C@@H](c4cc[nH]n4)C3)ccnc21 ZINC000067934233 215252792 /nfs/dbraw/zinc/25/27/92/215252792.db2.gz GNLQQCKNBZITJT-GFCCVEGCSA-N 0 0 346.356 4.361 50 0 EIAARN CCCCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1OC ZINC000002819501 209922667 /nfs/dbraw/zinc/92/26/67/209922667.db2.gz QLGKWDUAPOMCIU-UHFFFAOYSA-N 0 0 332.425 4.138 50 0 EIAARN C[C@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1-c1ncc[nH]1 ZINC000067948055 215257068 /nfs/dbraw/zinc/25/70/68/215257068.db2.gz YBUBQICMWGAXBX-OAHLLOKOSA-N 0 0 338.455 4.442 50 0 EIAARN Cc1sc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C(N)=O)c1C ZINC000002734186 209897579 /nfs/dbraw/zinc/89/75/79/209897579.db2.gz YFTMKHASVRAHIW-JXMROGBWSA-N 0 0 342.464 4.239 50 0 EIAARN CCCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 ZINC000002719774 209894028 /nfs/dbraw/zinc/89/40/28/209894028.db2.gz PDMNIVVBJBCMHJ-UHFFFAOYSA-N 0 0 332.494 4.081 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)cc1 ZINC000002662789 209888211 /nfs/dbraw/zinc/88/82/11/209888211.db2.gz URSIZLNPLLCZLN-UHFFFAOYSA-N 0 0 346.358 4.349 50 0 EIAARN Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)Nc3ccccc32)cc1C ZINC000068380351 215303949 /nfs/dbraw/zinc/30/39/49/215303949.db2.gz UPONKCKJMNBBRS-ICSRJNTNSA-N 0 0 348.446 4.093 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)Nc2noc3c2COc2ccccc2-3)[C@H]1C ZINC000103728418 219321678 /nfs/dbraw/zinc/32/16/78/219321678.db2.gz QMCLLJIYDYGMFT-TYNCELHUSA-N 0 0 341.411 4.180 50 0 EIAARN CSc1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2)n1 ZINC000002506041 209859507 /nfs/dbraw/zinc/85/95/07/209859507.db2.gz KXCXXUVXXCZKDM-UHFFFAOYSA-N 0 0 333.420 4.281 50 0 EIAARN CC(C)Cc1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041123422 213419425 /nfs/dbraw/zinc/41/94/25/213419425.db2.gz NAPJVVXMSAFUIJ-MRXNPFEDSA-N 0 0 333.476 4.292 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)c2cccnc2Br)cc1 ZINC000041107471 213416997 /nfs/dbraw/zinc/41/69/97/213416997.db2.gz HQPKGHVEQFAIHR-UHFFFAOYSA-N 0 0 333.229 4.394 50 0 EIAARN O=C(/C=C\c1ccncc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000104119098 219348011 /nfs/dbraw/zinc/34/80/11/219348011.db2.gz PXDCEVSGXHLWOZ-KTKRTIGZSA-N 0 0 340.386 4.277 50 0 EIAARN COC(=O)c1ccc(OC)cc1OCc1ccccc1C(F)(F)F ZINC000068675274 215326721 /nfs/dbraw/zinc/32/67/21/215326721.db2.gz FBIYBZBWRWKRDN-UHFFFAOYSA-N 0 0 340.297 4.080 50 0 EIAARN CC1=CC(C)(C)Nc2ccc(OS(=O)(=O)Cc3ccccc3)cc21 ZINC000002266542 209835923 /nfs/dbraw/zinc/83/59/23/209835923.db2.gz HDWXEECONLEFQU-UHFFFAOYSA-N 0 0 343.448 4.203 50 0 EIAARN CCCCCCNc1nc2sc3c(c2c2ncnn21)C[C@@H](C)CC3 ZINC000002193955 209829345 /nfs/dbraw/zinc/82/93/45/209829345.db2.gz ZXHXKTUIDYIIIQ-LBPRGKRZSA-N 0 0 343.500 4.456 50 0 EIAARN O=C1C(=Cc2ccccc2)NC(=NC2CCCCC2)N1c1ccccc1 ZINC000002179738 209826819 /nfs/dbraw/zinc/82/68/19/209826819.db2.gz NEAXEEKNHDEZHM-SILNSSARSA-N 0 0 345.446 4.353 50 0 EIAARN Cc1ncsc1C(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000068773625 215332961 /nfs/dbraw/zinc/33/29/61/215332961.db2.gz VAUGNZNAPQCZEP-UHFFFAOYSA-N 0 0 333.413 4.051 50 0 EIAARN CC[C@]1(C)C[C@](CCN2C(=O)c3ccccc3C2=O)(C(C)C)CCO1 ZINC000002109997 209821188 /nfs/dbraw/zinc/82/11/88/209821188.db2.gz BEJITXVNDNZAGW-NHCUHLMSSA-N 0 0 343.467 4.294 50 0 biogenic EIAARN Cc1cc(=O)oc2c1ccc1c2CN(c2cccc(Cl)c2)CO1 ZINC000002120319 209820873 /nfs/dbraw/zinc/82/08/73/209820873.db2.gz DTLNCFBOJHENOK-UHFFFAOYSA-N 0 0 327.767 4.111 50 0 biogenic EIAARN CC[C@H](C)c1noc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000040714427 213373495 /nfs/dbraw/zinc/37/34/95/213373495.db2.gz RZJJDQNYCRCVCK-ATOWBYMVSA-N 0 0 339.439 4.003 50 0 EIAARN CCCCC(=O)NC(=S)Nc1c(C)cc(Br)cc1C ZINC000002052166 209814409 /nfs/dbraw/zinc/81/44/09/209814409.db2.gz VLMKFVHRWIISDX-UHFFFAOYSA-N 0 0 343.290 4.069 50 0 EIAARN C[C@@H](c1cccnc1)N(C(=O)c1cnc(Cl)c(Cl)c1)C1CC1 ZINC000069323955 215377979 /nfs/dbraw/zinc/37/79/79/215377979.db2.gz XLCSXEPMSGKQGI-JTQLQIEISA-N 0 0 336.222 4.149 50 0 EIAARN O=C(CCc1cccs1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000069350239 215385005 /nfs/dbraw/zinc/38/50/05/215385005.db2.gz VFMVCGICQWMEFK-UHFFFAOYSA-N 0 0 341.432 4.208 50 0 EIAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c[nH]nc4c3)s2)o1 ZINC000069390330 215397801 /nfs/dbraw/zinc/39/78/01/215397801.db2.gz SFXXGMKTKUEPNU-UHFFFAOYSA-N 0 0 338.392 4.149 50 0 EIAARN O=C1C(=O)N(Cc2ccccn2)[C@H](c2ccccc2)C1c1ccccc1 ZINC000040485851 213316963 /nfs/dbraw/zinc/31/69/63/213316963.db2.gz YWVGUMMGUWSWHA-HXUWFJFHSA-N 0 0 342.398 4.134 50 0 EIAARN Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478363 213314317 /nfs/dbraw/zinc/31/43/17/213314317.db2.gz YFMXPYRYUIQHGK-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN COc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cc1 ZINC000040460668 213306965 /nfs/dbraw/zinc/30/69/65/213306965.db2.gz NXCRAYXPFLFGND-SFHVURJKSA-N 0 0 335.407 4.082 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@H](c3cccc(O)c3)O2)C1 ZINC000040450004 213305265 /nfs/dbraw/zinc/30/52/65/213305265.db2.gz ISFDSEQAKHNOGE-LPHOPBHVSA-N 0 0 333.428 4.013 50 0 EIAARN O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1C1CCCCC1 ZINC000040387690 213295922 /nfs/dbraw/zinc/29/59/22/213295922.db2.gz IRKZZOYQSATPCT-UHFFFAOYSA-N 0 0 344.418 4.216 50 0 EIAARN O=C1C[C@H](c2c(F)cccc2F)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040287088 213289029 /nfs/dbraw/zinc/28/90/29/213289029.db2.gz PMKFMDFOPHICJR-GFCCVEGCSA-N 0 0 343.308 4.413 50 0 EIAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1cccs1 ZINC000040160230 213276761 /nfs/dbraw/zinc/27/67/61/213276761.db2.gz OIURKPCQLNUXNI-UHFFFAOYSA-N 0 0 335.450 4.045 50 0 EIAARN COc1ccc(CCC(=O)N(C)Cc2ccc(SC)cc2)cc1 ZINC000040159565 213276245 /nfs/dbraw/zinc/27/62/45/213276245.db2.gz IBCGLFCDRPNPLB-UHFFFAOYSA-N 0 0 329.465 4.008 50 0 EIAARN CCCCc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000040157412 213276123 /nfs/dbraw/zinc/27/61/23/213276123.db2.gz BJPYYEJLSWHRLI-HNNXBMFYSA-N 0 0 335.451 4.325 50 0 EIAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(C)cs2)c1C ZINC000040159256 213275863 /nfs/dbraw/zinc/27/58/63/213275863.db2.gz BBAXZJHGHZIXPX-GFCCVEGCSA-N 0 0 338.498 4.052 50 0 EIAARN CCOC(=O)c1nc(CN(C)[C@H](C)c2cc3ccccc3o2)cs1 ZINC000040153899 213275179 /nfs/dbraw/zinc/27/51/79/213275179.db2.gz GLRFCXYLSGSVDA-GFCCVEGCSA-N 0 0 344.436 4.259 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)COC3CCCCC3)cc2)cs1 ZINC000040141564 213272586 /nfs/dbraw/zinc/27/25/86/213272586.db2.gz JPDXERFGXIYLSP-UHFFFAOYSA-N 0 0 330.453 4.406 50 0 EIAARN Fc1cccc([C@H]2CCCN2Cc2nc(Cc3ccccc3)no2)c1 ZINC000040153837 213274631 /nfs/dbraw/zinc/27/46/31/213274631.db2.gz MWTYPTFQUMBOGF-GOSISDBHSA-N 0 0 337.398 4.137 50 0 EIAARN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1ccccc1F ZINC000040156265 213274742 /nfs/dbraw/zinc/27/47/42/213274742.db2.gz YJXJNEPVNFNVRF-SFHVURJKSA-N 0 0 337.398 4.080 50 0 EIAARN Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000040142877 213271857 /nfs/dbraw/zinc/27/18/57/213271857.db2.gz PIMYGBOAULMWNQ-KRWDZBQOSA-N 0 0 325.456 4.062 50 0 EIAARN Cc1ccccc1C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000040108474 213267450 /nfs/dbraw/zinc/26/74/50/213267450.db2.gz ZIPDKQNJBURFJB-ZDUSSCGKSA-N 0 0 332.241 4.119 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1C(=O)N1CCCC1 ZINC000040107668 213267338 /nfs/dbraw/zinc/26/73/38/213267338.db2.gz SRUONDIOLMGOTD-UHFFFAOYSA-N 0 0 342.826 4.137 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccco2)cs1 ZINC000040111355 213267057 /nfs/dbraw/zinc/26/70/57/213267057.db2.gz VGIMFXIANAZAQZ-UHFFFAOYSA-N 0 0 337.404 4.456 50 0 EIAARN COc1ccc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cc1 ZINC000040118754 213268147 /nfs/dbraw/zinc/26/81/47/213268147.db2.gz CFQCSILBPMYGCA-IBGZPJMESA-N 0 0 349.434 4.006 50 0 EIAARN Cc1cc(C(=O)COc2cnc(-c3ccccc3)nc2)c(C)n1C1CC1 ZINC000040091273 213262459 /nfs/dbraw/zinc/26/24/59/213262459.db2.gz HTHKNYJQQGKPFO-UHFFFAOYSA-N 0 0 347.418 4.159 50 0 EIAARN C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1 ZINC000040103181 213264706 /nfs/dbraw/zinc/26/47/06/213264706.db2.gz UBMBDDYRHUUVOD-VIFPVBQESA-N 0 0 342.292 4.449 50 0 EIAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C)cc1C ZINC000040095398 213263924 /nfs/dbraw/zinc/26/39/24/213263924.db2.gz FBBDHBXSNBHJAK-UHFFFAOYSA-N 0 0 326.396 4.086 50 0 EIAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2ccccc2F)on1 ZINC000040087390 213260022 /nfs/dbraw/zinc/26/00/22/213260022.db2.gz NGTIOTFMKNTXEX-LBPRGKRZSA-N 0 0 342.345 4.453 50 0 EIAARN C[C@H](OCCCNC(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000040050732 213255712 /nfs/dbraw/zinc/25/57/12/213255712.db2.gz XJSLTEHWWJNQRN-AWEZNQCLSA-N 0 0 340.448 4.194 50 0 EIAARN O=C(CCSc1nccn1-c1ccccc1)Nc1cccc(F)c1 ZINC000040051775 213255613 /nfs/dbraw/zinc/25/56/13/213255613.db2.gz HTKDUXWKIVYDOZ-UHFFFAOYSA-N 0 0 341.411 4.132 50 0 EIAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccco1 ZINC000040067770 213256874 /nfs/dbraw/zinc/25/68/74/213256874.db2.gz IOVCRSHKKUIWFV-SNVBAGLBSA-N 0 0 327.211 4.489 50 0 EIAARN O=C(NCCC1=CCCCC1)c1ccccc1OCc1ccncc1 ZINC000040069659 213257013 /nfs/dbraw/zinc/25/70/13/213257013.db2.gz JOKPEYLNMXZALB-UHFFFAOYSA-N 0 0 336.435 4.281 50 0 EIAARN Cc1nc(CSCCC(=O)Nc2cccc3ncccc32)cs1 ZINC000040069578 213256750 /nfs/dbraw/zinc/25/67/50/213256750.db2.gz CKYKOSHEUALGNF-UHFFFAOYSA-N 0 0 343.477 4.262 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccccc1NC(=O)c1cccs1 ZINC000069594651 215490983 /nfs/dbraw/zinc/49/09/83/215490983.db2.gz IQPGQJNQZDIZQA-UHFFFAOYSA-N 0 0 336.416 4.182 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@@H]1c1cccs1 ZINC000040024684 213252780 /nfs/dbraw/zinc/25/27/80/213252780.db2.gz YDZCAYSOUWCCEQ-IQIBNGDESA-N 0 0 325.433 4.060 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@H]1c1cccs1 ZINC000040024683 213252510 /nfs/dbraw/zinc/25/25/10/213252510.db2.gz YDZCAYSOUWCCEQ-BVBGJJFLSA-N 0 0 325.433 4.060 50 0 EIAARN C[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000040038941 213254432 /nfs/dbraw/zinc/25/44/32/213254432.db2.gz CZTYEOBHFDIJQX-DLBZAZTESA-N 0 0 348.450 4.336 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)CCC2CCCC2)cc1OC ZINC000040042745 213254228 /nfs/dbraw/zinc/25/42/28/213254228.db2.gz XVOLYVHDQYSQSM-QGZVFWFLSA-N 0 0 331.456 4.338 50 0 EIAARN O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1c1nccs1 ZINC000001438818 209749336 /nfs/dbraw/zinc/74/93/36/209749336.db2.gz XKCPCVSOGFTJJI-LLVKDONJSA-N 0 0 331.249 4.229 50 0 EIAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)c1ccc(F)cc1 ZINC000001429200 209747651 /nfs/dbraw/zinc/74/76/51/209747651.db2.gz FREUJVMCLLMBIT-UHFFFAOYSA-N 0 0 337.398 4.248 50 0 EIAARN CCOC(=O)c1sc(=S)n(-c2ccc(C)cc2)c1SC ZINC000001403338 209741551 /nfs/dbraw/zinc/74/15/51/209741551.db2.gz BSUNJQOXPNXWJQ-UHFFFAOYSA-N 0 0 325.480 4.475 50 0 EIAARN Cc1cc(C(=O)NCc2cc(-c3cc4ccccc4o3)on2)c(C)o1 ZINC000038754661 213224056 /nfs/dbraw/zinc/22/40/56/213224056.db2.gz HNVSPJJUCFRPKR-UHFFFAOYSA-N 0 0 336.347 4.228 50 0 EIAARN FC(F)(F)c1ccccc1[C@@H](NCc1cccnc1)C(F)(F)F ZINC000183334763 235015137 /nfs/dbraw/zinc/01/51/37/235015137.db2.gz KFSCDWXFLYGVBB-CYBMUJFWSA-N 0 0 334.263 4.494 50 0 EIAARN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)SCc2ccccc2)c1 ZINC000000859764 209692158 /nfs/dbraw/zinc/69/21/58/209692158.db2.gz NLSRBLJZGTYLJE-AWEZNQCLSA-N 0 0 343.448 4.042 50 0 EIAARN C[C@H](Oc1ccc(Br)cc1)c1nc(-c2cccnc2)no1 ZINC000000620993 209683773 /nfs/dbraw/zinc/68/37/73/209683773.db2.gz ZGQIOUGNHVIKJJ-JTQLQIEISA-N 0 0 346.184 4.034 50 0 EIAARN Cc1nn(-c2cccc(Cl)n2)c(C(F)(F)F)c1Br ZINC000038537387 213213860 /nfs/dbraw/zinc/21/38/60/213213860.db2.gz DLZAPWLLSCNBQV-UHFFFAOYSA-N 0 0 340.530 4.010 50 0 EIAARN O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2)on1 ZINC000000614607 209679982 /nfs/dbraw/zinc/67/99/82/209679982.db2.gz REVTXOQRDXUBLE-UHFFFAOYSA-N 0 0 343.180 4.356 50 0 EIAARN Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@H]2C2CC2)c(C(F)F)n1 ZINC000038248381 213206209 /nfs/dbraw/zinc/20/62/09/213206209.db2.gz XQJQCBDIXRIYRP-QWHCGFSZSA-N 0 0 331.366 4.124 50 0 in-vivo EIAARN CCSc1nc(SC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000000553628 209661103 /nfs/dbraw/zinc/66/11/03/209661103.db2.gz NJXZUTMQWQHESG-UHFFFAOYSA-N 0 0 326.512 4.377 50 0 EIAARN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 ZINC000069709702 215548642 /nfs/dbraw/zinc/54/86/42/215548642.db2.gz YCOXVIOYVPXCQR-UHFFFAOYSA-N 0 0 348.805 4.212 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)n1 ZINC000069737764 215552264 /nfs/dbraw/zinc/55/22/64/215552264.db2.gz JGBWJYBLOIJBBX-UHFFFAOYSA-N 0 0 343.430 4.205 50 0 EIAARN C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000000536336 209654020 /nfs/dbraw/zinc/65/40/20/209654020.db2.gz DAHFBNNQAHMNQB-SNVBAGLBSA-N 0 0 333.313 4.073 50 0 EIAARN CN(C)C(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000000534878 209653634 /nfs/dbraw/zinc/65/36/34/209653634.db2.gz CGIYVSYMCTXYKV-UHFFFAOYSA-N 0 0 343.766 4.174 50 0 EIAARN CC(C)(C)c1ccc(-c2nn3c(nnc3-c3cccnc3)s2)cc1 ZINC000000532800 209653135 /nfs/dbraw/zinc/65/31/35/209653135.db2.gz KXCHFZCDQKLOBB-UHFFFAOYSA-N 0 0 335.436 4.212 50 0 EIAARN CC1(C)C[C@@](CC(=O)N2CCCC2)(c2ccc(Cl)cc2)CCO1 ZINC000000532569 209652911 /nfs/dbraw/zinc/65/29/11/209652911.db2.gz BZLAFTCERFGMIZ-LJQANCHMSA-N 0 0 335.875 4.179 50 0 EIAARN CCn1c(SCc2cccc3ccccc32)nnc1-c1cnccn1 ZINC000000525441 209647845 /nfs/dbraw/zinc/64/78/45/209647845.db2.gz ZXUSTVLMAHMBTB-UHFFFAOYSA-N 0 0 347.447 4.201 50 0 EIAARN O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000000503273 209638132 /nfs/dbraw/zinc/63/81/32/209638132.db2.gz SPIIQZHASBRWMQ-UHFFFAOYSA-N 0 0 325.220 4.120 50 0 EIAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(C)C)nc(N)c23)CO1 ZINC000000507389 209639181 /nfs/dbraw/zinc/63/91/81/209639181.db2.gz XUYKKQQGOHCUJA-INIZCTEOSA-N 0 0 337.514 4.263 50 0 EIAARN CCOc1ccc2c(c1)oc(C)c(Oc1cccc(OC)c1)c2=O ZINC000000491340 209634107 /nfs/dbraw/zinc/63/41/07/209634107.db2.gz RHXZHZULQXNPTD-UHFFFAOYSA-N 0 0 326.348 4.301 50 0 biogenic EIAARN COc1ccc(-c2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 ZINC000000491015 209633617 /nfs/dbraw/zinc/63/36/17/209633617.db2.gz JXPOUDKBFQQTLU-UHFFFAOYSA-N 0 0 338.359 4.030 50 0 biogenic EIAARN Cc1ccc(F)c(N[C@H]2CCCN(C(=O)c3ccccc3C)C2)c1 ZINC000037579195 213159282 /nfs/dbraw/zinc/15/92/82/213159282.db2.gz GABGPTUKIQUZSZ-INIZCTEOSA-N 0 0 326.415 4.159 50 0 EIAARN CCCNC(=O)c1cc2sc(C)cc2n1Cc1ccc(F)cc1 ZINC000037541321 213154247 /nfs/dbraw/zinc/15/42/47/213154247.db2.gz KNOVMRBXFNMXQG-UHFFFAOYSA-N 0 0 330.428 4.338 50 0 EIAARN Cn1c(Cc2cccs2)nnc1Sc1nc2ccccc2s1 ZINC000037132435 213134587 /nfs/dbraw/zinc/13/45/87/213134587.db2.gz VSNRKTFXMMQXPV-UHFFFAOYSA-N 0 0 344.490 4.228 50 0 EIAARN Cc1cc(NC(=O)c2ccccc2)ccc1NC(=O)Cc1ccccc1 ZINC000000470858 209622786 /nfs/dbraw/zinc/62/27/86/209622786.db2.gz RFWWSZGFFFJTGB-UHFFFAOYSA-N 0 0 344.414 4.429 50 0 EIAARN O=C(NCCSCc1ccsc1)c1ccccc1OC(F)F ZINC000036686545 213109851 /nfs/dbraw/zinc/10/98/51/213109851.db2.gz RKINUPQVOQWPCZ-UHFFFAOYSA-N 0 0 343.420 4.013 50 0 EIAARN Cc1c2c(nn1-c1ccc(C)cc1)c(NCc1ccccc1)nnc2C ZINC000036646282 213106965 /nfs/dbraw/zinc/10/69/65/213106965.db2.gz MAUIIIDTFJXBCN-UHFFFAOYSA-N 0 0 343.434 4.353 50 0 EIAARN COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000036621116 213105207 /nfs/dbraw/zinc/10/52/07/213105207.db2.gz OLOLATQSFRXYGA-OAHLLOKOSA-N 0 0 345.826 4.335 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000036620990 213104625 /nfs/dbraw/zinc/10/46/25/213104625.db2.gz DBMYBFHEIQVDCD-KRWDZBQOSA-N 0 0 335.856 4.174 50 0 EIAARN COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000036619735 213103992 /nfs/dbraw/zinc/10/39/92/213103992.db2.gz IRAAXXHLKAQGAK-OAHLLOKOSA-N 0 0 344.436 4.212 50 0 EIAARN Cc1cc(C)cc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c1 ZINC000036611948 213101442 /nfs/dbraw/zinc/10/14/42/213101442.db2.gz VYYVLCABMMQUGB-INIZCTEOSA-N 0 0 346.789 4.228 50 0 EIAARN Cc1cccc(C(=O)NCc2cccc(COCc3ccco3)c2)c1 ZINC000036394245 213096132 /nfs/dbraw/zinc/09/61/32/213096132.db2.gz SZBZMYYLGPBNAP-UHFFFAOYSA-N 0 0 335.403 4.235 50 0 EIAARN CCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000000447186 209606367 /nfs/dbraw/zinc/60/63/67/209606367.db2.gz MRHAVVLJBCSEMH-UHFFFAOYSA-N 0 0 347.212 4.050 50 0 EIAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N1CCC[C@@H](C)C1 ZINC000036390417 213094999 /nfs/dbraw/zinc/09/49/99/213094999.db2.gz GPCPYXWKQMVFMV-VXGBXAGGSA-N 0 0 343.452 4.038 50 0 EIAARN O=C1C[C@H](c2ccccc2F)c2sc(N3CCCCC3)nc2N1 ZINC000036358841 213089886 /nfs/dbraw/zinc/08/98/86/213089886.db2.gz ZZHUPWXUEHLBKE-GFCCVEGCSA-N 0 0 331.416 4.396 50 0 EIAARN O=C(Nc1ccccc1)N1CCC[C@H](OCc2cccc(F)c2F)C1 ZINC000036315876 213084629 /nfs/dbraw/zinc/08/46/29/213084629.db2.gz XVIXCKIKSWVEIW-INIZCTEOSA-N 0 0 346.377 4.178 50 0 EIAARN Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccc(F)cc3)C2)cc1 ZINC000036315782 213084683 /nfs/dbraw/zinc/08/46/83/213084683.db2.gz GNVFUYFKWXZTGW-IBGZPJMESA-N 0 0 342.414 4.347 50 0 EIAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c(OC)c1 ZINC000036357348 213089158 /nfs/dbraw/zinc/08/91/58/213089158.db2.gz XHCACBXPDDWTHC-INIZCTEOSA-N 0 0 349.390 4.013 50 0 EIAARN Clc1ccccc1Nc1ncnc2c1ncn2Cc1ccccc1 ZINC000036357391 213089113 /nfs/dbraw/zinc/08/91/13/213089113.db2.gz ACFSHOKGIYOWAP-UHFFFAOYSA-N 0 0 335.798 4.272 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](OCc3ccc(F)c(F)c3)C2)cc1 ZINC000036315101 213083375 /nfs/dbraw/zinc/08/33/75/213083375.db2.gz HPICYCAKLGDALT-QGZVFWFLSA-N 0 0 345.389 4.095 50 0 EIAARN COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cn2)cc1Cl ZINC000000444129 209603847 /nfs/dbraw/zinc/60/38/47/209603847.db2.gz QEFAPIGIFHAGOW-UHFFFAOYSA-N 0 0 331.586 4.303 50 0 EIAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(C)=O ZINC000036245907 213078889 /nfs/dbraw/zinc/07/88/89/213078889.db2.gz BZPWBSKDHJLMIA-HNNXBMFYSA-N 0 0 343.471 4.333 50 0 EIAARN CCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(C)=O ZINC000036106106 213069216 /nfs/dbraw/zinc/06/92/16/213069216.db2.gz NPCQWBYGFQGYTK-UHFFFAOYSA-N 0 0 346.496 4.406 50 0 EIAARN Cc1ccc(OCc2nc(C(=O)N3CCC(C)CC3)cs2)c(C)c1 ZINC000036084304 213061947 /nfs/dbraw/zinc/06/19/47/213061947.db2.gz UKCGZIKEKIMYJD-UHFFFAOYSA-N 0 0 344.480 4.211 50 0 EIAARN O=C(Nc1ccc(F)cc1)c1csc(COc2ccccc2F)n1 ZINC000036084475 213061357 /nfs/dbraw/zinc/06/13/57/213061357.db2.gz VJAALXBKSNGDMD-UHFFFAOYSA-N 0 0 346.358 4.253 50 0 EIAARN CC(C)NC(=O)c1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036084649 213061317 /nfs/dbraw/zinc/06/13/17/213061317.db2.gz ZVFVMYYOWGJXTF-UHFFFAOYSA-N 0 0 345.251 4.167 50 0 EIAARN CON(C)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000036037244 213057639 /nfs/dbraw/zinc/05/76/39/213057639.db2.gz JKXPAULBEFFXNR-UHFFFAOYSA-N 0 0 344.461 4.222 50 0 EIAARN O=C(c1cnn(Cc2ccccc2)c1-c1ccccc1)N1CCCCC1 ZINC000036016560 213056594 /nfs/dbraw/zinc/05/65/94/213056594.db2.gz SXXDZEDFMMFKMQ-UHFFFAOYSA-N 0 0 345.446 4.225 50 0 EIAARN CCCN(Cc1cc(-c2cccc(OC)c2)on1)C(=O)NC(C)(C)C ZINC000036012764 213055458 /nfs/dbraw/zinc/05/54/58/213055458.db2.gz LEAUXRWYHDQIFF-UHFFFAOYSA-N 0 0 345.443 4.070 50 0 EIAARN CCCNC(=O)N(CCC)Cc1cc(-c2ccc(C)cc2C)on1 ZINC000036012774 213054914 /nfs/dbraw/zinc/05/49/14/213054914.db2.gz OMFYPULOCOXMAJ-UHFFFAOYSA-N 0 0 329.444 4.290 50 0 EIAARN C[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2cccc(Cl)c2)no1 ZINC000035845083 213050197 /nfs/dbraw/zinc/05/01/97/213050197.db2.gz ZWURVVXANAORAA-SNVBAGLBSA-N 0 0 345.761 4.020 50 0 EIAARN Cc1c2c(n(Cc3c(F)cccc3F)c1C(=O)NC(C)C)CCCC2 ZINC000035837053 213050053 /nfs/dbraw/zinc/05/00/53/213050053.db2.gz UALHSBOMXFHJIS-UHFFFAOYSA-N 0 0 346.421 4.140 50 0 EIAARN COc1ccc(NC(=O)Nc2nc3c(s2)CCCCCC3)cc1 ZINC000035562430 213039128 /nfs/dbraw/zinc/03/91/28/213039128.db2.gz PCKISCPZMXPKQC-UHFFFAOYSA-N 0 0 331.441 4.455 50 0 EIAARN O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1ccco1 ZINC000000434110 209599192 /nfs/dbraw/zinc/59/91/92/209599192.db2.gz PEVUXFJYQITDFJ-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN CCc1nc(-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)no1 ZINC000035539636 213037241 /nfs/dbraw/zinc/03/72/41/213037241.db2.gz YYNBKJARXOXYFM-UHFFFAOYSA-N 0 0 341.798 4.134 50 0 EIAARN CCCn1c2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2oc1=O ZINC000035506305 213034134 /nfs/dbraw/zinc/03/41/34/213034134.db2.gz HMGXZMAKBBLMBT-UHFFFAOYSA-N 0 0 339.395 4.265 50 0 EIAARN Cc1cccc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)c1 ZINC000035534890 213036068 /nfs/dbraw/zinc/03/60/68/213036068.db2.gz KNYFJBVYOVAXIA-UHFFFAOYSA-N 0 0 335.432 4.254 50 0 EIAARN CC[C@@H]1Cn2c(C(=O)NCCC3=CCCCC3)cc3cccc(c32)O1 ZINC000035477401 213031653 /nfs/dbraw/zinc/03/16/53/213031653.db2.gz QFXXPIRSYMNURJ-QGZVFWFLSA-N 0 0 338.451 4.433 50 0 EIAARN COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000035476527 213031544 /nfs/dbraw/zinc/03/15/44/213031544.db2.gz TWVWDTFOIAVCSR-CQSZACIVSA-N 0 0 348.399 4.043 50 0 EIAARN CCOc1ccc2c(cc(C(=O)Nc3ccc(F)cc3F)n2C)c1 ZINC000035476054 213031215 /nfs/dbraw/zinc/03/12/15/213031215.db2.gz DJOXAILXMCMZRV-UHFFFAOYSA-N 0 0 330.334 4.108 50 0 EIAARN CCCCNC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000035429792 213027366 /nfs/dbraw/zinc/02/73/66/213027366.db2.gz YGSUNJCSVDOTDP-UHFFFAOYSA-N 0 0 334.423 4.212 50 0 EIAARN CC[C@H](C(=O)Nc1ccccc1)n1c(C(=O)OC)cc2ccsc21 ZINC000035397128 213026376 /nfs/dbraw/zinc/02/63/76/213026376.db2.gz ISBWQROLXXMVQK-CQSZACIVSA-N 0 0 342.420 4.079 50 0 EIAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)C3CCCCC3)n2)c1 ZINC000035318724 213022359 /nfs/dbraw/zinc/02/23/59/213022359.db2.gz LUWWNGVNLYLUBS-QGZVFWFLSA-N 0 0 339.439 4.289 50 0 EIAARN COc1ccc(-c2nsc3c2NC(=O)C[C@H]3c2ccsc2)cc1 ZINC000035325483 213021647 /nfs/dbraw/zinc/02/16/47/213021647.db2.gz XLOUBGPMIJYYDY-ZDUSSCGKSA-N 0 0 342.445 4.354 50 0 EIAARN Cc1cccc(-c2nccn2Cc2scnc2-c2ccccc2)n1 ZINC000071415732 215769814 /nfs/dbraw/zinc/76/98/14/215769814.db2.gz OTMDNQBBUPMTBK-UHFFFAOYSA-N 0 0 332.432 4.425 50 0 EIAARN COc1ccc2cc3cc(C(=O)N4C[C@@H](C)C[C@H](C)C4)oc3nc2c1 ZINC000000429143 209595191 /nfs/dbraw/zinc/59/51/91/209595191.db2.gz XNCMBWIECGLVFO-STQMWFEESA-N 0 0 338.407 4.108 50 0 EIAARN CCn1nc(C(=O)N2CCC(C)CC2)cc1-c1cccc(Cl)c1 ZINC000034901619 212994817 /nfs/dbraw/zinc/99/48/17/212994817.db2.gz WQVDHJRXRLBQLT-UHFFFAOYSA-N 0 0 331.847 4.096 50 0 EIAARN CC(C)CNC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000034831053 212990798 /nfs/dbraw/zinc/99/07/98/212990798.db2.gz CARHUMREPJWMDD-UHFFFAOYSA-N 0 0 327.815 4.041 50 0 EIAARN CCCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)CC(C)(C)C ZINC000034794611 212987300 /nfs/dbraw/zinc/98/73/00/212987300.db2.gz CLWIRTIUDMDFTD-UHFFFAOYSA-N 0 0 343.427 4.133 50 0 EIAARN CC(C)Sc1ccc([C@H](C)NC(=O)N(C)Cc2ccncc2)cc1 ZINC000071803464 215839785 /nfs/dbraw/zinc/83/97/85/215839785.db2.gz QSZYYSUPAFRUPV-HNNXBMFYSA-N 0 0 343.496 4.485 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000033458035 212939945 /nfs/dbraw/zinc/93/99/45/212939945.db2.gz PKWAZRHFLNBZPH-OEYXZAGESA-N 0 0 328.437 4.320 50 0 EIAARN O=C(Cc1csc(COc2ccccc2)n1)NC1CCCCCC1 ZINC000033326211 212926344 /nfs/dbraw/zinc/92/63/44/212926344.db2.gz UVEMWGZBEOWZPA-UHFFFAOYSA-N 0 0 344.480 4.104 50 0 EIAARN O=C(/C=C\c1ccco1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000033315007 212922787 /nfs/dbraw/zinc/92/27/87/212922787.db2.gz SKYMIPRUFZVPAX-VURMDHGXSA-N 0 0 331.331 4.135 50 0 EIAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 ZINC000033271180 212915352 /nfs/dbraw/zinc/91/53/52/212915352.db2.gz DYTSJOXCXDRLSJ-DBVUQKKJSA-N 0 0 337.419 4.280 50 0 EIAARN CCCNC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033261092 212911430 /nfs/dbraw/zinc/91/14/30/212911430.db2.gz AFOZXFVXQNNVJJ-UHFFFAOYSA-N 0 0 332.407 4.027 50 0 EIAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(OC(F)F)cc2)cc1 ZINC000000423961 209587366 /nfs/dbraw/zinc/58/73/66/209587366.db2.gz OWDKQQWOKHXMAY-INIZCTEOSA-N 0 0 335.375 4.375 50 0 EIAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NC4CC4)c3)ncn2)cc1 ZINC000033260999 212911865 /nfs/dbraw/zinc/91/18/65/212911865.db2.gz OTWXRZIHLIZBTG-UHFFFAOYSA-N 0 0 344.418 4.088 50 0 EIAARN COc1ccc(NC(=O)c2cccnc2-c2cccs2)c(OC)c1 ZINC000033139021 212902406 /nfs/dbraw/zinc/90/24/06/212902406.db2.gz SVPPJHFJHCICTJ-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN CC(C)C(=O)Nc1nc2cc(NC(=O)CC3CCCC3)ccc2s1 ZINC000033020310 212888674 /nfs/dbraw/zinc/88/86/74/212888674.db2.gz CXSWWFWHXAJLKC-UHFFFAOYSA-N 0 0 345.468 4.410 50 0 EIAARN Cc1ccccc1Nc1nc(N)c(C(=O)c2c[nH]c3ccccc23)s1 ZINC000032947416 212879659 /nfs/dbraw/zinc/87/96/59/212879659.db2.gz BGHYZWCPNIHMIF-UHFFFAOYSA-N 0 0 348.431 4.490 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)c1 ZINC000032932012 212877233 /nfs/dbraw/zinc/87/72/33/212877233.db2.gz FCRKRAMBRMWYAI-UHFFFAOYSA-N 0 0 346.430 4.323 50 0 EIAARN NC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000032901844 212865557 /nfs/dbraw/zinc/86/55/57/212865557.db2.gz LGFCLFMXHCAZHT-UHFFFAOYSA-N 0 0 349.390 4.009 50 0 EIAARN C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000032895453 212862906 /nfs/dbraw/zinc/86/29/06/212862906.db2.gz HABUSLUWIISPGD-SWLSCSKDSA-N 0 0 344.377 4.006 50 0 EIAARN O=C(N[C@H]1CCc2ccccc21)c1occc1COc1ccccc1 ZINC000032889053 212861775 /nfs/dbraw/zinc/86/17/75/212861775.db2.gz IUBRBTCIOXGTKZ-IBGZPJMESA-N 0 0 333.387 4.276 50 0 EIAARN Cc1occc1C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000032906997 212866992 /nfs/dbraw/zinc/86/69/92/212866992.db2.gz UJCYGMKYZTYPQT-UHFFFAOYSA-N 0 0 334.347 4.166 50 0 EIAARN c1ccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)cc1 ZINC000071889557 215927787 /nfs/dbraw/zinc/92/77/87/215927787.db2.gz HONGGOYBYXOSAW-UHFFFAOYSA-N 0 0 326.440 4.289 50 0 EIAARN Cc1ccccc1CCNC(=O)N[C@@H]1CCSc2ccccc21 ZINC000032795067 212844436 /nfs/dbraw/zinc/84/44/36/212844436.db2.gz XTHSCIDXZQRUMI-QGZVFWFLSA-N 0 0 326.465 4.074 50 0 EIAARN O=C(Nc1cccc2ccccc21)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000032833075 212853518 /nfs/dbraw/zinc/85/35/18/212853518.db2.gz CRNQRRPOVXAZJH-LJQANCHMSA-N 0 0 334.350 4.111 50 0 EIAARN CCCc1nc(CSc2nnc(-c3ccoc3C)n2C)cs1 ZINC000032777102 212841024 /nfs/dbraw/zinc/84/10/24/212841024.db2.gz UONUTGIAJKMLST-UHFFFAOYSA-N 0 0 334.470 4.085 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000032721158 212829358 /nfs/dbraw/zinc/82/93/58/212829358.db2.gz FZCXMTCLSPQOKD-CQSZACIVSA-N 0 0 327.424 4.404 50 0 EIAARN CC(C)c1ccccc1NC(=O)COc1cccc2c1CCC[C@@H]2O ZINC000032691498 212826946 /nfs/dbraw/zinc/82/69/46/212826946.db2.gz NQXJHZWQZPWDEZ-IBGZPJMESA-N 0 0 339.435 4.197 50 0 EIAARN CC(C)[C@@H](OC(=O)Cc1ccccc1Cl)C(=O)Nc1ccccc1 ZINC000032672085 212825939 /nfs/dbraw/zinc/82/59/39/212825939.db2.gz QDUHPVMHZYRKEX-GOSISDBHSA-N 0 0 345.826 4.089 50 0 EIAARN O=C(CCCc1nnc(-c2ccccc2)o1)NC1CCCCCCC1 ZINC000032488342 212804361 /nfs/dbraw/zinc/80/43/61/212804361.db2.gz ITYLCQINDCMFET-UHFFFAOYSA-N 0 0 341.455 4.288 50 0 EIAARN COc1cccc(CC(=O)N[C@@H](c2cccs2)C2CCCC2)c1 ZINC000032398262 212799592 /nfs/dbraw/zinc/79/95/92/212799592.db2.gz FKQRHTWBXRWFGQ-LJQANCHMSA-N 0 0 329.465 4.347 50 0 EIAARN Cc1ccc(O)c(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c1 ZINC000072129630 216020066 /nfs/dbraw/zinc/02/00/66/216020066.db2.gz VZYDWKZSAXGBEV-UHFFFAOYSA-N 0 0 330.391 4.251 50 0 EIAARN CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1cccc(Cl)c1 ZINC000072139289 216025558 /nfs/dbraw/zinc/02/55/58/216025558.db2.gz HGNKAMXOEGTJQC-UHFFFAOYSA-N 0 0 348.815 4.115 50 0 EIAARN Cc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1CCn1ccnc1 ZINC000072147119 216033887 /nfs/dbraw/zinc/03/38/87/216033887.db2.gz ROUYCCWZLPFMQB-HNNXBMFYSA-N 0 0 346.862 4.322 50 0 EIAARN Fc1cccc([C@@H]2CCCCN2Cc2nnc(-c3ccco3)o2)c1 ZINC000072147922 216034892 /nfs/dbraw/zinc/03/48/92/216034892.db2.gz RIZGYZOVGFZZOD-HNNXBMFYSA-N 0 0 327.359 4.196 50 0 EIAARN C[C@H]1CC(=O)c2c1c(Cl)ccc2OCC(=O)N(C)C1CCCCC1 ZINC000031871373 212755001 /nfs/dbraw/zinc/75/50/01/212755001.db2.gz DJZGQGJJJMEUDG-LBPRGKRZSA-N 0 0 349.858 4.200 50 0 EIAARN CCn1c(SCc2ccccc2Cl)nnc1-c1ccncc1 ZINC000000411901 209574948 /nfs/dbraw/zinc/57/49/48/209574948.db2.gz XHMVTKQYPGISHV-UHFFFAOYSA-N 0 0 330.844 4.306 50 0 EIAARN Cc1nccn1CC[C@@H]1CCCCN1C(=O)Nc1cccc(C)c1C ZINC000072168860 216060210 /nfs/dbraw/zinc/06/02/10/216060210.db2.gz WLNILYIKDIWUMT-SFHVURJKSA-N 0 0 340.471 4.285 50 0 EIAARN Cc1cccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c1 ZINC000072238566 216077506 /nfs/dbraw/zinc/07/75/06/216077506.db2.gz TYWVGPJBFSKUNE-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 EIAARN O=C(NCC[C@H](O)c1ccccc1)c1sc2ccccc2c1Cl ZINC000072242744 216082712 /nfs/dbraw/zinc/08/27/12/216082712.db2.gz GSXKDFPBTRBSQP-AWEZNQCLSA-N 0 0 345.851 4.408 50 0 EIAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000072255969 216084313 /nfs/dbraw/zinc/08/43/13/216084313.db2.gz ORQQWUCHPNIQSH-UHFFFAOYSA-N 0 0 332.363 4.087 50 0 EIAARN Cc1nn(C)c(C)c1NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000072275386 216099931 /nfs/dbraw/zinc/09/99/31/216099931.db2.gz LDCCRULYFASTIE-UHFFFAOYSA-N 0 0 343.818 4.125 50 0 EIAARN Cc1nc([C@@H](C)NC(=O)N(Cc2ccc(F)cc2)C2CC2)cs1 ZINC000072271617 216094694 /nfs/dbraw/zinc/09/46/94/216094694.db2.gz URJAHUZAZQSXDT-LLVKDONJSA-N 0 0 333.432 4.026 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000072273771 216097072 /nfs/dbraw/zinc/09/70/72/216097072.db2.gz UDCMKNOLKHGTHB-ZACQAIPSSA-N 0 0 344.455 4.448 50 0 EIAARN Cc1c(Br)cccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000000409458 209573171 /nfs/dbraw/zinc/57/31/71/209573171.db2.gz RNOVAHXPFCDWLS-KBPBESRZSA-N 0 0 330.225 4.500 50 0 EIAARN CCOc1cc(CNc2ccc3c(c2)OCCO3)cc(Cl)c1OC ZINC000000386391 209565195 /nfs/dbraw/zinc/56/51/95/209565195.db2.gz LKCVAHAXYHGWTO-UHFFFAOYSA-N 0 0 349.814 4.131 50 0 EIAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000000390775 209567219 /nfs/dbraw/zinc/56/72/19/209567219.db2.gz BXEHBSZUFMKXTB-UHFFFAOYSA-N 0 0 336.178 4.131 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1Cl ZINC000000359167 209550222 /nfs/dbraw/zinc/55/02/22/209550222.db2.gz LMVATTSRSWLCLB-UHFFFAOYSA-N 0 0 332.856 4.094 50 0 EIAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccs1 ZINC000000357259 209549018 /nfs/dbraw/zinc/54/90/18/209549018.db2.gz AJAQEOYRLNGEPS-UHFFFAOYSA-N 0 0 328.437 4.063 50 0 EIAARN Cc1ccc(C(=O)c2cccc(I)c2)cc1C ZINC000036944796 213126294 /nfs/dbraw/zinc/12/62/94/213126294.db2.gz XVECZUFLEFJGAK-UHFFFAOYSA-N 0 0 336.172 4.139 50 0 EIAARN Cc1ccccc1N[C@@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl ZINC000000365119 209553327 /nfs/dbraw/zinc/55/33/27/209553327.db2.gz AFSDDRLMQMEWPW-ZDUSSCGKSA-N 0 0 347.629 4.126 50 0 EIAARN CCOc1cc(C=O)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 ZINC000000316487 209533478 /nfs/dbraw/zinc/53/34/78/209533478.db2.gz AGPNXGCNVOGDJG-UHFFFAOYSA-N 0 0 339.174 4.424 50 0 EIAARN Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)C=CS1 ZINC000000314414 209531262 /nfs/dbraw/zinc/53/12/62/209531262.db2.gz NZBLEWUCLAJCPX-CYBMUJFWSA-N 0 0 326.446 4.284 50 0 EIAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ccc2c(c1)OCO2 ZINC000030315258 212694894 /nfs/dbraw/zinc/69/48/94/212694894.db2.gz VXOLHBFPCBBADW-CYBMUJFWSA-N 0 0 345.826 4.221 50 0 EIAARN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000000284208 209517313 /nfs/dbraw/zinc/51/73/13/209517313.db2.gz KPLILFUHUWGBJG-CQSZACIVSA-N 0 0 327.733 4.243 50 0 EIAARN O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000000281391 209515812 /nfs/dbraw/zinc/51/58/12/209515812.db2.gz CQYGCUSVMDHCTG-GFCCVEGCSA-N 0 0 334.202 4.116 50 0 EIAARN CC(C)(c1ccccc1)c1ccc(O)c(-n2nc3ccccc3n2)c1 ZINC000000254455 209506169 /nfs/dbraw/zinc/50/61/69/209506169.db2.gz DFPWANCFLBQQDE-UHFFFAOYSA-N 0 0 329.403 4.452 50 0 EIAARN COc1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000000240188 209499799 /nfs/dbraw/zinc/49/97/99/209499799.db2.gz JDYXFMUXYCXJMQ-KRWDZBQOSA-N 0 0 327.453 4.014 50 0 biogenic EIAARN Cc1cccnc1[C@H](NC(=O)Nc1ccc2ccn(C)c2c1)C(C)C ZINC000072303971 216141861 /nfs/dbraw/zinc/14/18/61/216141861.db2.gz GFMKJDJCWSFOBH-GOSISDBHSA-N 0 0 336.439 4.401 50 0 EIAARN Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000000247772 209503671 /nfs/dbraw/zinc/50/36/71/209503671.db2.gz JVHULTLZOYTTIO-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN CC[C@@](C)(NCC(=O)N(c1ccccc1)C(C)C)c1nc(C)cs1 ZINC000072305291 216143911 /nfs/dbraw/zinc/14/39/11/216143911.db2.gz BNPITAOVXZXKGJ-LJQANCHMSA-N 0 0 345.512 4.108 50 0 EIAARN Cc1cccc(-c2n[nH]cc2C(=O)NCc2ccc(C(C)C)cc2)c1 ZINC000072329105 216153586 /nfs/dbraw/zinc/15/35/86/216153586.db2.gz YLAQONBFKGCXHL-UHFFFAOYSA-N 0 0 333.435 4.439 50 0 EIAARN CCCOc1ccc(CNC(=O)c2c[nH]nc2-c2ccc(C)cc2)cc1 ZINC000072328924 216153949 /nfs/dbraw/zinc/15/39/49/216153949.db2.gz NHISRETZUCISCH-UHFFFAOYSA-N 0 0 349.434 4.104 50 0 EIAARN CCc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000072329200 216154300 /nfs/dbraw/zinc/15/43/00/216154300.db2.gz XSWHUWSRNYIHFW-CQSZACIVSA-N 0 0 349.434 4.139 50 0 EIAARN CCCCc1ccc(NC(=O)COC(=O)Cc2cccc(C)c2)cc1 ZINC000072331180 216154596 /nfs/dbraw/zinc/15/45/96/216154596.db2.gz BEHYJKUKDHLIEM-UHFFFAOYSA-N 0 0 339.435 4.062 50 0 EIAARN Cc1cccc(-c2noc(COc3ccc(Br)cc3)n2)c1 ZINC000000204067 209481996 /nfs/dbraw/zinc/48/19/96/209481996.db2.gz SJGRPWQRPQCQND-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)OC12CCCCC2 ZINC000000201128 209481170 /nfs/dbraw/zinc/48/11/70/209481170.db2.gz XADDEUNOKRZRLW-NSHDSACASA-N 0 0 342.222 4.198 50 0 EIAARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1 ZINC000000190304 209474331 /nfs/dbraw/zinc/47/43/31/209474331.db2.gz CFHFKDBBBFWHEJ-UHFFFAOYSA-N 0 0 349.459 4.488 50 0 EIAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1ccco1 ZINC000000168824 209462044 /nfs/dbraw/zinc/46/20/44/209462044.db2.gz VDIQPKLHPBSWIA-UHFFFAOYSA-N 0 0 340.766 4.438 50 0 EIAARN Cc1nnsc1C(=O)Nc1cccc2c1ccn2CCC(C)C ZINC000072404289 216196015 /nfs/dbraw/zinc/19/60/15/216196015.db2.gz BOUDXFLQUSRNFE-UHFFFAOYSA-N 0 0 328.441 4.100 50 0 EIAARN O=C(CCn1ccc2ccc(Cl)cc21)N1CCc2ccccc2C1 ZINC000072404357 216196299 /nfs/dbraw/zinc/19/62/99/216196299.db2.gz RZUZCNOPNXMMBU-UHFFFAOYSA-N 0 0 338.838 4.270 50 0 EIAARN CCOC(=O)c1sc(N2CCCCC2)c2c1CC(C)(C)CC2=O ZINC000000148860 209451456 /nfs/dbraw/zinc/45/14/56/209451456.db2.gz PBKXGBQAXSWILA-UHFFFAOYSA-N 0 0 335.469 4.070 50 0 EIAARN O=C1C[C@H](c2ccc(O)c(Cl)c2)c2cnn(Cc3ccco3)c2N1 ZINC000072405576 216197388 /nfs/dbraw/zinc/19/73/88/216197388.db2.gz QKTJWXLNKPSMRO-GFCCVEGCSA-N 0 0 343.770 4.007 50 0 EIAARN Cc1nn(Cc2nc(C(C)(C)C)cs2)c(C)c1Br ZINC000000125982 209437405 /nfs/dbraw/zinc/43/74/05/209437405.db2.gz ZUJQFJVPPJWRHK-UHFFFAOYSA-N 0 0 328.279 4.065 50 0 EIAARN CCCCc1nc(CN2CCC(Oc3cccc(C)c3)CC2)c[nH]1 ZINC000072408235 216199292 /nfs/dbraw/zinc/19/92/92/216199292.db2.gz DSJVXDXAZALTMH-UHFFFAOYSA-N 0 0 327.472 4.104 50 0 EIAARN Brc1ccc2ncnc(NCCc3ccccc3)c2c1 ZINC000000122253 209435021 /nfs/dbraw/zinc/43/50/21/209435021.db2.gz GFAXHVDRUDGRNF-UHFFFAOYSA-N 0 0 328.213 4.047 50 0 EIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3nsnc32)c1 ZINC000000104104 209423162 /nfs/dbraw/zinc/42/31/62/209423162.db2.gz PQQMPQCTOCYKRF-UHFFFAOYSA-N 0 0 341.436 4.141 50 0 EIAARN CC(=O)N1CCc2cc(NC(=S)Nc3ccccc3Cl)ccc21 ZINC000000080844 209407248 /nfs/dbraw/zinc/40/72/48/209407248.db2.gz OMKGNXODKOFSEY-UHFFFAOYSA-N 0 0 345.855 4.058 50 0 EIAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 ZINC000000066507 209397540 /nfs/dbraw/zinc/39/75/40/209397540.db2.gz YJXFBQKEPWZBQE-UHFFFAOYSA-N 0 0 344.366 4.350 50 0 EIAARN Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000000063179 209395315 /nfs/dbraw/zinc/39/53/15/209395315.db2.gz XCGVQKJXGUTYFA-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)c1cccc(N(C)C)c1 ZINC000000060789 209394673 /nfs/dbraw/zinc/39/46/73/209394673.db2.gz QOPGKQYVEVCOKT-UHFFFAOYSA-N 0 0 333.229 4.076 50 0 EIAARN COc1cc(OC)c(NCCC(=O)c2cccs2)cc1Cl ZINC000000053627 209391697 /nfs/dbraw/zinc/39/16/97/209391697.db2.gz RQHJUUUSZKXBMA-UHFFFAOYSA-N 0 0 325.817 4.104 50 0 EIAARN O=C(COC(=O)c1ccc(Oc2ccc(O)cc2)cc1)c1ccccc1 ZINC000000051017 209390463 /nfs/dbraw/zinc/39/04/63/209390463.db2.gz ZTTOUQTVBHTLCR-UHFFFAOYSA-N 0 0 348.354 4.224 50 0 biogenic EIAARN COc1ccc(OC)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000000045053 209388049 /nfs/dbraw/zinc/38/80/49/209388049.db2.gz XRMZCCONLJVXTJ-UHFFFAOYSA-N 0 0 343.423 4.153 50 0 EIAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1)CCCCC3 ZINC000000044744 209387825 /nfs/dbraw/zinc/38/78/25/209387825.db2.gz XLUWDRNECAPOQW-UHFFFAOYSA-N 0 0 337.448 4.400 50 0 EIAARN CCc1ccc(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1 ZINC000072446725 216236315 /nfs/dbraw/zinc/23/63/15/216236315.db2.gz LZUYWRPLGQJMEG-UHFFFAOYSA-N 0 0 333.391 4.392 50 0 EIAARN O=C(/C=C/c1cccs1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027385667 212554816 /nfs/dbraw/zinc/55/48/16/212554816.db2.gz LBAGSBRBHQCEOV-HBWSCVEGSA-N 0 0 338.432 4.309 50 0 EIAARN CCCCNC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000026939494 212541241 /nfs/dbraw/zinc/54/12/41/212541241.db2.gz QYFQVAFOSADFQH-UHFFFAOYSA-N 0 0 341.842 4.273 50 0 EIAARN CCCn1c(C)cc(C(=O)CSc2ncnc3ccsc32)c1C ZINC000026957759 212543185 /nfs/dbraw/zinc/54/31/85/212543185.db2.gz ULFDORFPXALWMQ-UHFFFAOYSA-N 0 0 345.493 4.495 50 0 EIAARN CC(C)COCCCNC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000026265717 212512706 /nfs/dbraw/zinc/51/27/06/212512706.db2.gz POMIKKVPFBGIJB-UHFFFAOYSA-N 0 0 328.456 4.044 50 0 EIAARN O=C(NCCSCc1ccccc1)C1(c2ccccc2)CCC1 ZINC000026064180 212506350 /nfs/dbraw/zinc/50/63/50/212506350.db2.gz SYGAUZYKTBDKHF-UHFFFAOYSA-N 0 0 325.477 4.158 50 0 EIAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(C2CC2)on1 ZINC000025624143 212491115 /nfs/dbraw/zinc/49/11/15/212491115.db2.gz PTAIRBSIVSVWOH-SFHVURJKSA-N 0 0 332.403 4.266 50 0 EIAARN O=C(Nc1cccc2c1CCCC2)c1cc2c(c(Cl)c1)OCO2 ZINC000025512362 212485571 /nfs/dbraw/zinc/48/55/71/212485571.db2.gz GRYRNZJOBHBBNC-UHFFFAOYSA-N 0 0 329.783 4.200 50 0 EIAARN Cc1csc(C(=O)Nc2ncccc2Cl)c1Br ZINC000191467698 239127416 /nfs/dbraw/zinc/12/74/16/239127416.db2.gz YDFGSOJCMIVNHT-UHFFFAOYSA-N 0 0 331.622 4.120 50 0 EIAARN Cc1csc(CCNc2ncnc3sc4c(c32)CC[C@H](C)C4)n1 ZINC000024760968 212437599 /nfs/dbraw/zinc/43/75/99/212437599.db2.gz ZZSHFXASMWPNGK-JTQLQIEISA-N 0 0 344.509 4.236 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)c1 ZINC000024510021 212423914 /nfs/dbraw/zinc/42/39/14/212423914.db2.gz QQXCGDFKZPEXOV-UHFFFAOYSA-N 0 0 325.412 4.086 50 0 EIAARN Cc1ccc2nc(C)c(C(=O)Nc3ccc(-n4ccnc4)cc3)cc2c1 ZINC000023890333 212398595 /nfs/dbraw/zinc/39/85/95/212398595.db2.gz NPQUUQJKDZBCDZ-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN COc1ccc([C@H](NC(=O)c2ccc(C(C)=O)s2)C(C)C)cc1 ZINC000023770924 212394856 /nfs/dbraw/zinc/39/48/56/212394856.db2.gz BOJFTTIZRBSBTG-QGZVFWFLSA-N 0 0 331.437 4.086 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c(F)c1 ZINC000023698257 212389855 /nfs/dbraw/zinc/38/98/55/212389855.db2.gz XRFOWJVPSWKQFE-UHFFFAOYSA-N 0 0 344.367 4.293 50 0 EIAARN CCOC(=O)c1c(C)[nH]c(-c2csc(Nc3ccccn3)n2)c1C ZINC000023625450 212386515 /nfs/dbraw/zinc/38/65/15/212386515.db2.gz YMJBZVNFDZFPKB-UHFFFAOYSA-N 0 0 342.424 4.070 50 0 EIAARN COc1ccc(NC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000023233668 212361913 /nfs/dbraw/zinc/36/19/13/212361913.db2.gz HAYOFGZOMYTNRH-UHFFFAOYSA-N 0 0 336.844 4.262 50 0 EIAARN O=C(c1ccc(Br)o1)N1CCCSc2ccccc21 ZINC000023228294 212360518 /nfs/dbraw/zinc/36/05/18/212360518.db2.gz NSSJWVWSADDJNI-UHFFFAOYSA-N 0 0 338.226 4.185 50 0 EIAARN O=C(Nc1cccnc1)c1ccccc1SCc1cscn1 ZINC000023177537 212358445 /nfs/dbraw/zinc/35/84/45/212358445.db2.gz UEYLLHSDBZPOIN-UHFFFAOYSA-N 0 0 327.434 4.083 50 0 EIAARN c1cc([C@@H]2CCCCO2)oc1CN1CCc2[nH]nc(C3CCC3)c2C1 ZINC000023158604 212357501 /nfs/dbraw/zinc/35/75/01/212357501.db2.gz QAOVLGTWRIMHRO-SFHVURJKSA-N 0 0 341.455 4.070 50 0 EIAARN Cc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000023118449 212349356 /nfs/dbraw/zinc/34/93/56/212349356.db2.gz WOAWTXXJUFBYET-UHFFFAOYSA-N 0 0 334.423 4.450 50 0 EIAARN CCCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccs2)cc1 ZINC000023079557 212346947 /nfs/dbraw/zinc/34/69/47/212346947.db2.gz CSFGEIVFTGZIKI-CQSZACIVSA-N 0 0 345.464 4.377 50 0 EIAARN O=c1cc(-c2ccc(F)cc2)ncn1Cc1cccc(C(F)(F)F)c1 ZINC000023144943 212355732 /nfs/dbraw/zinc/35/57/32/212355732.db2.gz FDZIAHPFQWSDMU-UHFFFAOYSA-N 0 0 348.299 4.117 50 0 EIAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000023025385 212342935 /nfs/dbraw/zinc/34/29/35/212342935.db2.gz WRVWGBUXSYCFAD-QGZVFWFLSA-N 0 0 335.856 4.174 50 0 EIAARN O=C(NC12CC3CC(CC(C3)C1)C2)C1(c2cccc(F)c2)CCC1 ZINC000022841589 212328216 /nfs/dbraw/zinc/32/82/16/212328216.db2.gz WXSBYKMDALRESX-UHFFFAOYSA-N 0 0 327.443 4.332 50 0 EIAARN CCn1nc(NC(=O)N(C)Cc2ccc(Cl)s2)cc1C1CC1 ZINC000075105719 216555132 /nfs/dbraw/zinc/55/51/32/216555132.db2.gz XCCMWRNKDWLRIN-UHFFFAOYSA-N 0 0 338.864 4.159 50 0 EIAARN O=C(Cc1ccccc1)N1CCC[C@H]1c1nc(C2CCCCC2)no1 ZINC000193167516 240044349 /nfs/dbraw/zinc/04/43/49/240044349.db2.gz DEPPCURHJLMLOE-KRWDZBQOSA-N 0 0 339.439 4.024 50 0 EIAARN COc1ccc(CN[C@H](C)c2ccccc2Cl)c(OC)c1OC ZINC000022781157 212324212 /nfs/dbraw/zinc/32/42/12/212324212.db2.gz QWBQVNHVNXXLCE-GFCCVEGCSA-N 0 0 335.831 4.217 50 0 EIAARN O=C(c1ccc(COc2ccccc2)o1)N1CCc2sccc2C1 ZINC000022597372 212309628 /nfs/dbraw/zinc/30/96/28/212309628.db2.gz IZDGYTROHORCJE-UHFFFAOYSA-N 0 0 339.416 4.119 50 0 EIAARN O=c1cc(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1Cl ZINC000022605013 212309648 /nfs/dbraw/zinc/30/96/48/212309648.db2.gz DLNHRYVZQPUEQW-UHFFFAOYSA-N 0 0 349.192 4.405 50 0 EIAARN CCc1cccc(C)c1NC(=O)CSCCOc1ccccc1 ZINC000022701565 212318285 /nfs/dbraw/zinc/31/82/85/212318285.db2.gz IIZVLMAVCOWBNO-UHFFFAOYSA-N 0 0 329.465 4.308 50 0 EIAARN Cc1noc(-c2ccccc2C)c1C(=O)NCc1cc(F)cc(F)c1 ZINC000022660928 212314590 /nfs/dbraw/zinc/31/45/90/212314590.db2.gz WXFLKNTXWQLQMK-UHFFFAOYSA-N 0 0 342.345 4.167 50 0 EIAARN CCc1ccccc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000022628076 212313471 /nfs/dbraw/zinc/31/34/71/212313471.db2.gz OPHXDWZVTMETCV-UHFFFAOYSA-N 0 0 333.370 4.261 50 0 EIAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000022558517 212307459 /nfs/dbraw/zinc/30/74/59/212307459.db2.gz PRJSRZURHUEKCH-UHFFFAOYSA-N 0 0 327.815 4.199 50 0 EIAARN CC(=O)c1cccc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)c1 ZINC000075142852 216581335 /nfs/dbraw/zinc/58/13/35/216581335.db2.gz NDDHXYSZFKBTKP-UHFFFAOYSA-N 0 0 331.441 4.019 50 0 EIAARN CSc1cccc(NC(=O)N[C@@H](CCCO)c2ccccc2)c1 ZINC000075145537 216583598 /nfs/dbraw/zinc/58/35/98/216583598.db2.gz HTOQZZOPLHGXQD-KRWDZBQOSA-N 0 0 330.453 4.044 50 0 EIAARN O=C(/C=C/c1ccco1)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000022480488 212300781 /nfs/dbraw/zinc/30/07/81/212300781.db2.gz JBJMERXKQXKYTF-SOFGYWHQSA-N 0 0 339.420 4.141 50 0 EIAARN O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1cccs1 ZINC000022461587 212298147 /nfs/dbraw/zinc/29/81/47/212298147.db2.gz ZXYHYAHYSGLNDD-UHFFFAOYSA-N 0 0 337.360 4.310 50 0 EIAARN C[C@@H](Nc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1)c1ccccc1 ZINC000022459545 212297837 /nfs/dbraw/zinc/29/78/37/212297837.db2.gz OXCYMPDGNOVLQA-LLVKDONJSA-N 0 0 336.420 4.153 50 0 EIAARN c1sc(-c2ccccc2)nc1CN1CCN(Cc2ccccc2)CC1 ZINC000022455064 212297587 /nfs/dbraw/zinc/29/75/87/212297587.db2.gz SUBIJFYEXXITCD-UHFFFAOYSA-N 0 0 349.503 4.128 50 0 EIAARN Cc1noc(C2(NC(=O)Nc3cccc(Cl)c3C)CCCCC2)n1 ZINC000075164123 216592470 /nfs/dbraw/zinc/59/24/70/216592470.db2.gz YMUVNGPAAACGFP-UHFFFAOYSA-N 0 0 348.834 4.321 50 0 EIAARN CC(C)CCC(=O)Nc1ccccc1-c1nc(-c2ccccn2)no1 ZINC000022463159 212299833 /nfs/dbraw/zinc/29/98/33/212299833.db2.gz ZCHSMIRMYLPPDX-UHFFFAOYSA-N 0 0 336.395 4.173 50 0 EIAARN O=C(CCSc1ccc(F)cc1)Nc1cccc2ncccc21 ZINC000022411252 212295899 /nfs/dbraw/zinc/29/58/99/212295899.db2.gz UXQKYVOTHNWVKJ-UHFFFAOYSA-N 0 0 326.396 4.495 50 0 EIAARN O=C(NCc1ccc2ncccc2c1)Nc1cccc(-c2ncco2)c1 ZINC000193853261 240336747 /nfs/dbraw/zinc/33/67/47/240336747.db2.gz QDVZQRSQJKIJQP-UHFFFAOYSA-N 0 0 344.374 4.212 50 0 EIAARN CC(C)n1nccc1NC(=O)CCCc1nc2ccccc2s1 ZINC000022289761 212288841 /nfs/dbraw/zinc/28/88/41/212288841.db2.gz IIXJRFISDKXVHB-UHFFFAOYSA-N 0 0 328.441 4.035 50 0 EIAARN C[C@H]1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc2S1 ZINC000022192112 212281126 /nfs/dbraw/zinc/28/11/26/212281126.db2.gz IMSZTGVBTHXQOP-HZMBPMFUSA-N 0 0 330.280 4.488 50 0 EIAARN O=C(c1cc2c(ccc3ccccc23)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000022195246 212281466 /nfs/dbraw/zinc/28/14/66/212281466.db2.gz SUNLMNPKUWOUGW-UHFFFAOYSA-N 0 0 343.338 4.148 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)NCc2coc(-c3cccs3)n2)C1(C)C ZINC000022186463 212281468 /nfs/dbraw/zinc/28/14/68/212281468.db2.gz RLJNHVCLTMAWGT-DZGCQCFKSA-N 0 0 330.453 4.258 50 0 EIAARN Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000022131934 212278126 /nfs/dbraw/zinc/27/81/26/212278126.db2.gz MRMJAWBKOHAMRG-OAHLLOKOSA-N 0 0 343.448 4.195 50 0 EIAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(NC3CC3)s2)c1 ZINC000022173693 212279975 /nfs/dbraw/zinc/27/99/75/212279975.db2.gz YHSCOMCTTOIANW-NSHDSACASA-N 0 0 333.482 4.093 50 0 EIAARN O=C(Cc1ccccc1)Nc1cc(NC[C@H]2CCC=CO2)ccc1F ZINC000194586417 240638702 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C[C@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccc2c(c1)CCCC2 ZINC000021398352 212223965 /nfs/dbraw/zinc/22/39/65/212223965.db2.gz OFYVRHIOAHKWNW-VBKZILBWSA-N 0 0 337.488 4.460 50 0 EIAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCCC1 ZINC000021298584 212219858 /nfs/dbraw/zinc/21/98/58/212219858.db2.gz DZCGKONEYPHIMU-UHFFFAOYSA-N 0 0 339.222 4.203 50 0 EIAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ncccn1 ZINC000021211018 212216444 /nfs/dbraw/zinc/21/64/44/212216444.db2.gz IZHNITLCZVCZPN-UHFFFAOYSA-N 0 0 348.431 4.108 50 0 EIAARN Cc1cccc(-c2nc3nc(C)cc(N(C)Cc4ccccc4)n3n2)c1 ZINC000021173779 212214330 /nfs/dbraw/zinc/21/43/30/212214330.db2.gz OHSKXDWOYXIFAR-UHFFFAOYSA-N 0 0 343.434 4.045 50 0 EIAARN CCc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1 ZINC000021108113 212208581 /nfs/dbraw/zinc/20/85/81/212208581.db2.gz ASUFKVDDBGHRNI-HXUWFJFHSA-N 0 0 329.403 4.415 50 0 EIAARN CCc1ccc(CNC(=O)c2ccc3nc(CC)c(CC)nc3c2)cc1 ZINC000021117182 212208492 /nfs/dbraw/zinc/20/84/92/212208492.db2.gz MPJNUFJWOZLGTE-UHFFFAOYSA-N 0 0 347.462 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Cc1ccc(Nc2cc(C)nc3nc(-c4cccc(C)c4)nn32)cc1 ZINC000020888817 212182456 /nfs/dbraw/zinc/18/24/56/212182456.db2.gz JMVQWDKSNBAYQB-UHFFFAOYSA-N 0 0 329.407 4.460 50 0 EIAARN CCc1noc(CN(C(=O)c2oc3ccc(C)cc3c2C)C(C)C)n1 ZINC000020860570 212177269 /nfs/dbraw/zinc/17/72/69/212177269.db2.gz GNBAWDXELUREBL-UHFFFAOYSA-N 0 0 341.411 4.046 50 0 EIAARN CCN(CC)c1nc2c(-c3ccc(C)cc3)nnn2c2ccccc21 ZINC000020859521 212176474 /nfs/dbraw/zinc/17/64/74/212176474.db2.gz ABUNKGDJPZZDNJ-UHFFFAOYSA-N 0 0 331.423 4.099 50 0 EIAARN CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)N(CC)CC ZINC000020790233 212172200 /nfs/dbraw/zinc/17/22/00/212172200.db2.gz LWIDHMCFFRTMMB-IBGZPJMESA-N 0 0 325.452 4.440 50 0 EIAARN CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)N(CC)CC ZINC000020790229 212171519 /nfs/dbraw/zinc/17/15/19/212171519.db2.gz LWIDHMCFFRTMMB-LJQANCHMSA-N 0 0 325.452 4.440 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000020851186 212175239 /nfs/dbraw/zinc/17/52/39/212175239.db2.gz IMRGPXXGIQTXBB-HNNXBMFYSA-N 0 0 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Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCO)c1 ZINC000016739868 211932174 /nfs/dbraw/zinc/93/21/74/211932174.db2.gz BZOWIIZWCINRPU-ZZEZOPTASA-N 0 0 344.867 4.403 50 0 EIAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000016649393 211924903 /nfs/dbraw/zinc/92/49/03/211924903.db2.gz MIANPKRKEADPLK-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Cc1cccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)c1 ZINC000016577448 211913118 /nfs/dbraw/zinc/91/31/18/211913118.db2.gz WSWPULDVOOQCRF-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1c(F)cccc1F ZINC000079029628 217177855 /nfs/dbraw/zinc/17/78/55/217177855.db2.gz NVTCGDWNNCBRNZ-CYBMUJFWSA-N 0 0 330.378 4.260 50 0 EIAARN CC(C)n1cc(CCC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21 ZINC000079189296 217200173 /nfs/dbraw/zinc/20/01/73/217200173.db2.gz HPBCDTHLHNPLFF-KRWDZBQOSA-N 0 0 342.483 4.229 50 0 biogenic EIAARN Fc1cc(Br)cc(Br)c1OC(F)(F)F ZINC000263623676 245465926 /nfs/dbraw/zinc/46/59/26/245465926.db2.gz JPMKZQSQQMAUCD-UHFFFAOYSA-N 0 0 337.892 4.249 50 0 EIAARN O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl ZINC000263639941 245467411 /nfs/dbraw/zinc/46/74/11/245467411.db2.gz PFOLWORQHVFIOV-UHFFFAOYSA-N 0 0 349.139 4.337 50 0 EIAARN COc1ccccc1CCC(=O)Nc1ccc2[nH]c(C3CC3)nc2c1 ZINC000079476815 217230183 /nfs/dbraw/zinc/23/01/83/217230183.db2.gz GXWBRDSQXFBVTC-UHFFFAOYSA-N 0 0 335.407 4.020 50 0 EIAARN CCCn1c2ccc(NC(=O)c3cccc(C)c3)cc2sc1=O ZINC000015865049 211862971 /nfs/dbraw/zinc/86/29/71/211862971.db2.gz QMELNXBVUAOIHE-UHFFFAOYSA-N 0 0 326.421 4.034 50 0 EIAARN COc1cccc(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)c1 ZINC000015839825 211860603 /nfs/dbraw/zinc/86/06/03/211860603.db2.gz CHMPQPQGUPCFKP-OAQYLSRUSA-N 0 0 346.430 4.226 50 0 EIAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccccc1)=C2 ZINC000015838656 211859399 /nfs/dbraw/zinc/85/93/99/211859399.db2.gz UIEBMMXVHLEOTF-UHFFFAOYSA-N 0 0 327.767 4.277 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1C ZINC000015836330 211858688 /nfs/dbraw/zinc/85/86/88/211858688.db2.gz OXWSBHUGBVOFCE-HNNXBMFYSA-N 0 0 335.494 4.199 50 0 EIAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1cccc(C)c1 ZINC000015768055 211850888 /nfs/dbraw/zinc/85/08/88/211850888.db2.gz KNEIGCFQYMZJNL-UHFFFAOYSA-N 0 0 336.391 4.176 50 0 EIAARN CCOC(=O)c1nc2ccccc2c(N(C)c2cc(C)ccc2C)n1 ZINC000015784046 211852581 /nfs/dbraw/zinc/85/25/81/211852581.db2.gz ILFOLMGDDLSZMZ-UHFFFAOYSA-N 0 0 335.407 4.191 50 0 EIAARN Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000015318487 211815131 /nfs/dbraw/zinc/81/51/31/211815131.db2.gz ROAARDPQRNPITB-UHFFFAOYSA-N 0 0 343.766 4.053 50 0 EIAARN CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccc(OC)c(Cl)c1 ZINC000080345905 217299033 /nfs/dbraw/zinc/29/90/33/217299033.db2.gz KRLBVYNXZUBBSS-HNNXBMFYSA-N 0 0 347.842 4.244 50 0 EIAARN CC[S@@](=O)c1ccccc1NC(=O)c1oc2ccc(C)cc2c1C ZINC000080344466 217299084 /nfs/dbraw/zinc/29/90/84/217299084.db2.gz NHWFLJUACQMTLL-DEOSSOPVSA-N 0 0 341.432 4.429 50 0 EIAARN C[C@@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1nc(C(C)(C)C)no1 ZINC000080560128 217313523 /nfs/dbraw/zinc/31/35/23/217313523.db2.gz HSMJCRPKQIVUPJ-VXGBXAGGSA-N 0 0 348.472 4.036 50 0 EIAARN O=C1C[C@H](c2cccs2)c2sc(Nc3ccccc3)nc2N1 ZINC000015110027 211802789 /nfs/dbraw/zinc/80/27/89/211802789.db2.gz MAQGPGAVSSQBAS-LLVKDONJSA-N 0 0 327.434 4.422 50 0 EIAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ocnc2C)cc1 ZINC000081108506 217362960 /nfs/dbraw/zinc/36/29/60/217362960.db2.gz IPBJRHDEKPYDAS-UHFFFAOYSA-N 0 0 338.363 4.426 50 0 EIAARN CCn1cc(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cn1 ZINC000081279688 217378260 /nfs/dbraw/zinc/37/82/60/217378260.db2.gz HYHCCBAXWVONJY-MRXNPFEDSA-N 0 0 333.435 4.403 50 0 EIAARN O=C(/C=C/c1cccc2ccccc12)N[C@H]1CCOc2ccccc21 ZINC000014780469 211762690 /nfs/dbraw/zinc/76/26/90/211762690.db2.gz NKXOTOPFGWGMQG-SJFMBGHLSA-N 0 0 329.399 4.493 50 0 EIAARN COc1ccc(-c2nc3nc(C)cc(Nc4cccc(C)c4)n3n2)cc1 ZINC000014610419 211748943 /nfs/dbraw/zinc/74/89/43/211748943.db2.gz HMWCQSSBUHQNDD-UHFFFAOYSA-N 0 0 345.406 4.160 50 0 EIAARN Cc1cc(Oc2cc(Cl)c(Cl)cc2Cl)n2ncnc2n1 ZINC000014248381 211723508 /nfs/dbraw/zinc/72/35/08/211723508.db2.gz UNWJGSHBRQINMG-UHFFFAOYSA-N 0 0 329.574 4.185 50 0 EIAARN Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000014109356 211684206 /nfs/dbraw/zinc/68/42/06/211684206.db2.gz YXFLVBFGLWQYFI-SUMWQHHRSA-N 0 0 345.439 4.255 50 0 EIAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cccc2ccccc21 ZINC000014075050 211677343 /nfs/dbraw/zinc/67/73/43/211677343.db2.gz XFFJDUAKLRSEPH-UHFFFAOYSA-N 0 0 334.375 4.059 50 0 EIAARN COc1ccc(C)cc1-c1csc(NC(=O)c2occc2C)n1 ZINC000014019458 211672113 /nfs/dbraw/zinc/67/21/13/211672113.db2.gz WAQPINKSTFEJFC-UHFFFAOYSA-N 0 0 328.393 4.281 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc21 ZINC000013816309 211645567 /nfs/dbraw/zinc/64/55/67/211645567.db2.gz YBLWOZUPHDKFOT-UHFFFAOYSA-N 0 0 341.798 4.271 50 0 in-vitro EIAARN CC[C@H](C)[C@@H](C(=O)NCC1(CCO)CCCCC1)c1ccccc1 ZINC000084721600 217636076 /nfs/dbraw/zinc/63/60/76/217636076.db2.gz NPDPGKLGWITRKF-PKOBYXMFSA-N 0 0 331.500 4.265 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=S)Nc2ccccc2Cl)cc1 ZINC000013813631 211643999 /nfs/dbraw/zinc/64/39/99/211643999.db2.gz YUTJZQDOEBQABB-UHFFFAOYSA-N 0 0 333.844 4.132 50 0 EIAARN Cc1cc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)ccc1F ZINC000086012859 217688817 /nfs/dbraw/zinc/68/88/17/217688817.db2.gz AIQKSNCCCLHALL-FQEVSTJZSA-N 0 0 334.394 4.181 50 0 EIAARN CC(C)CN1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 ZINC000013683496 211609116 /nfs/dbraw/zinc/60/91/16/211609116.db2.gz OTLHYTWJMCGKCZ-UHFFFAOYSA-N 0 0 335.403 4.268 50 0 biogenic EIAARN Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(Cl)c2)n1 ZINC000013495317 211568344 /nfs/dbraw/zinc/56/83/44/211568344.db2.gz FJWNECOEUCFFHT-GFCCVEGCSA-N 0 0 341.798 4.189 50 0 EIAARN CCCc1c(C)nc2ncnn2c1Nc1cccc(C(F)(F)F)c1 ZINC000013364975 211551609 /nfs/dbraw/zinc/55/16/09/211551609.db2.gz OHEXJRJGBRTLID-UHFFFAOYSA-N 0 0 335.333 4.148 50 0 EIAARN CCn1c2ccccc2nc1S[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013298041 211541478 /nfs/dbraw/zinc/54/14/78/211541478.db2.gz SICXNSGIJAQIBB-QLFBSQMISA-N 0 0 345.512 4.326 50 0 EIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000013200327 211534997 /nfs/dbraw/zinc/53/49/97/211534997.db2.gz CNWPJPKQXNLPHC-UHFFFAOYSA-N 0 0 349.337 4.476 50 0 EIAARN COc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1-c1ccccn1 ZINC000089466096 217801121 /nfs/dbraw/zinc/80/11/21/217801121.db2.gz KERKMFHUCZQRHT-GOSISDBHSA-N 0 0 348.402 4.328 50 0 EIAARN CN(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1Cl ZINC000013056029 211516546 /nfs/dbraw/zinc/51/65/46/211516546.db2.gz MAOMZQTWKSOXPY-UHFFFAOYSA-N 0 0 341.213 4.203 50 0 EIAARN O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012995343 211503685 /nfs/dbraw/zinc/50/36/85/211503685.db2.gz LZDDLXGKYPCHJL-UHFFFAOYSA-N 0 0 337.810 4.267 50 0 EIAARN CCOc1ccc(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)cc1 ZINC000012989352 211501425 /nfs/dbraw/zinc/50/14/25/211501425.db2.gz VXSBNFSISICIRR-ZDUSSCGKSA-N 0 0 341.407 4.060 50 0 EIAARN Cc1ccc(F)c(NC(=O)c2cccc(OCc3cscn3)c2)c1 ZINC000012973455 211496373 /nfs/dbraw/zinc/49/63/73/211496373.db2.gz XQKRIBORDUDLAK-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN Brc1ccc(-c2csc3ncnc(N4CCC4)c23)cc1 ZINC000012931605 211486263 /nfs/dbraw/zinc/48/62/63/211486263.db2.gz FLWXKFVPITXGGS-UHFFFAOYSA-N 0 0 346.253 4.331 50 0 EIAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000012786759 211456104 /nfs/dbraw/zinc/45/61/04/211456104.db2.gz IQYFBQINQZGHRG-UHFFFAOYSA-N 0 0 348.226 4.099 50 0 EIAARN O=C(COc1ccccc1F)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000012891521 211476284 /nfs/dbraw/zinc/47/62/84/211476284.db2.gz FAVJIJAUSJVDKH-SFHVURJKSA-N 0 0 333.790 4.125 50 0 EIAARN COc1ccccc1[C@H](C)NC(=O)N[C@@H](C)CCc1ccccc1 ZINC000012865808 211472716 /nfs/dbraw/zinc/47/27/16/211472716.db2.gz AHGFBPQSDDOKKH-HOTGVXAUSA-N 0 0 326.440 4.077 50 0 EIAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000012862580 211472056 /nfs/dbraw/zinc/47/20/56/211472056.db2.gz DNIRSQSMLBPVDM-ZDUSSCGKSA-N 0 0 335.190 4.058 50 0 EIAARN CSCc1nnc(SCCOc2ccc(C(C)(C)C)cc2)o1 ZINC000012862449 211472067 /nfs/dbraw/zinc/47/20/67/211472067.db2.gz OCYGPLWBQBIHQX-UHFFFAOYSA-N 0 0 338.498 4.401 50 0 EIAARN c1coc(C2=Nc3cc4c(cc3[C@@H](c3ccccc3)O2)OCCO4)c1 ZINC000012854782 211469669 /nfs/dbraw/zinc/46/96/69/211469669.db2.gz HDCFLCDERXUKSG-LJQANCHMSA-N 0 0 333.343 4.249 50 0 EIAARN Cc1nc(-c2ccc([C@H](C)NC(=O)c3cccc(C)n3)cc2)cs1 ZINC000012851295 211468112 /nfs/dbraw/zinc/46/81/12/211468112.db2.gz WHLYAJNUXUKCMS-ZDUSSCGKSA-N 0 0 337.448 4.313 50 0 EIAARN CC(=O)c1ccccc1NC(=O)C=Cc1ccccc1OC(F)F ZINC000012747587 211443841 /nfs/dbraw/zinc/44/38/41/211443841.db2.gz BQYPVKXOLIAARD-ZHACJKMWSA-N 0 0 331.318 4.143 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccncc1)N[C@H]1CCCc2occc21 ZINC000089827675 217852853 /nfs/dbraw/zinc/85/28/53/217852853.db2.gz BMNAFHZMYQFYJH-AZUAARDMSA-N 0 0 347.418 4.141 50 0 EIAARN C[C@H]1CN(C(=O)c2cnc([C@H]3CCCO3)s2)c2ccccc2S1 ZINC000089824727 217853021 /nfs/dbraw/zinc/85/30/21/217853021.db2.gz IZTKFIDZDBWFKU-WCQYABFASA-N 0 0 346.477 4.136 50 0 EIAARN Cc1cc(C)cc(-n2nnnc2S[C@@H](C)c2ccc(F)cc2)c1 ZINC000012730086 211439722 /nfs/dbraw/zinc/43/97/22/211439722.db2.gz HUVHJERKPYOLFW-ZDUSSCGKSA-N 0 0 328.416 4.272 50 0 EIAARN Cc1occc1-c1nnc(S[C@@H]2CCCC2=O)n1-c1ccccc1 ZINC000012640084 211427500 /nfs/dbraw/zinc/42/75/00/211427500.db2.gz IOHVNPMGSOJNCY-MRXNPFEDSA-N 0 0 339.420 4.049 50 0 EIAARN Cc1ccsc1C(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012755946 211447529 /nfs/dbraw/zinc/44/75/29/211447529.db2.gz CKAIVXOLDVJNSZ-AWEZNQCLSA-N 0 0 347.867 4.445 50 0 EIAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000012562722 211411590 /nfs/dbraw/zinc/41/15/90/211411590.db2.gz MNKNYVIYSABVKA-OXQOHEQNSA-N 0 0 336.435 4.049 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(COc3ccccc3)o2)[C@@H]1C ZINC000012551894 211407777 /nfs/dbraw/zinc/40/77/77/211407777.db2.gz RSTUAYCZSBIHGT-RKVPGOIHSA-N 0 0 327.424 4.413 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)Nc2cc(C)ccn2)cc1OC ZINC000012528034 211398624 /nfs/dbraw/zinc/39/86/24/211398624.db2.gz LATDJTZETHFMRV-UHFFFAOYSA-N 0 0 334.803 4.093 50 0 EIAARN O=C(NCCCn1ccnc1)c1cc2sc3ccccc3c2s1 ZINC000012523874 211398035 /nfs/dbraw/zinc/39/80/35/211398035.db2.gz YHTIFCMKHPPYAF-UHFFFAOYSA-N 0 0 341.461 4.133 50 0 EIAARN COc1cccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000012523491 211398091 /nfs/dbraw/zinc/39/80/91/211398091.db2.gz CKSFTKUEMLKVNI-TWLJRWAQSA-N 0 0 344.414 4.009 50 0 EIAARN CC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1 ZINC000012520347 211397681 /nfs/dbraw/zinc/39/76/81/211397681.db2.gz NTOOPPMVMQMUFO-UHFFFAOYSA-N 0 0 339.464 4.423 50 0 EIAARN O=C(C[C@H]1C=CCC1)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000012520732 211397311 /nfs/dbraw/zinc/39/73/11/211397311.db2.gz KDIRDPKPSOMIJE-LBPRGKRZSA-N 0 0 341.411 4.497 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1C[C@H]1CCCO1 ZINC000012517385 211396300 /nfs/dbraw/zinc/39/63/00/211396300.db2.gz RNHVANYOFSTJSF-FZKQIMNGSA-N 0 0 342.826 4.086 50 0 EIAARN Clc1ccc2c(c1)ncnc2Nc1ccc2c(c1)OCCCO2 ZINC000012515958 211395914 /nfs/dbraw/zinc/39/59/14/211395914.db2.gz DPBTVRUWYKATFM-UHFFFAOYSA-N 0 0 327.771 4.188 50 0 EIAARN O=C(Cc1cccs1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000012487917 211394012 /nfs/dbraw/zinc/39/40/12/211394012.db2.gz VGYIGRFYAPUFMC-UHFFFAOYSA-N 0 0 333.416 4.473 50 0 EIAARN FC(F)n1ccnc1CSCc1cc(Cl)cc2c1OCOC2 ZINC000089884684 217870565 /nfs/dbraw/zinc/87/05/65/217870565.db2.gz RODYPECUMIWNAD-UHFFFAOYSA-N 0 0 346.786 4.232 50 0 EIAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccnc3)cc12 ZINC000012420674 211375085 /nfs/dbraw/zinc/37/50/85/211375085.db2.gz CIKVPKTZGJLVLZ-UHFFFAOYSA-N 0 0 334.404 4.043 50 0 EIAARN CCN(C(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 ZINC000012406125 211370106 /nfs/dbraw/zinc/37/01/06/211370106.db2.gz ZLDHVGVPVYMIHX-UHFFFAOYSA-N 0 0 345.402 4.001 50 0 EIAARN O=C(Nc1ccc(C(=O)c2cc3ccccc3o2)cc1)c1cccnc1 ZINC000012389242 211364826 /nfs/dbraw/zinc/36/48/26/211364826.db2.gz AUMXWPUQZUPTGZ-UHFFFAOYSA-N 0 0 342.354 4.311 50 0 EIAARN CC(C)(C)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)no1 ZINC000012381590 211362342 /nfs/dbraw/zinc/36/23/42/211362342.db2.gz OAVQTJQZVPBPEK-UHFFFAOYSA-N 0 0 327.211 4.460 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 ZINC000012380871 211362117 /nfs/dbraw/zinc/36/21/17/211362117.db2.gz BCBKLVQGVPODDA-AWEZNQCLSA-N 0 0 348.402 4.204 50 0 EIAARN O=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc2nsnc21 ZINC000012340965 211352663 /nfs/dbraw/zinc/35/26/63/211352663.db2.gz BJKBDIDJRRSHHG-UHFFFAOYSA-N 0 0 348.387 4.131 50 0 EIAARN Cc1nn2c(nc(C)cc2NCc2ccccn2)c1-c1ccccc1 ZINC000012374422 211358383 /nfs/dbraw/zinc/35/83/83/211358383.db2.gz IMEWIAJMZWMQBP-UHFFFAOYSA-N 0 0 329.407 4.020 50 0 EIAARN CC1(C(=O)NC[C@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)CC1 ZINC000012279291 211333236 /nfs/dbraw/zinc/33/32/36/211333236.db2.gz UXVQITJDHYYTKM-CQSZACIVSA-N 0 0 347.867 4.288 50 0 EIAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccccc1F)=C2 ZINC000012274750 211332176 /nfs/dbraw/zinc/33/21/76/211332176.db2.gz SHOWBNWLWIPOOP-UHFFFAOYSA-N 0 0 345.757 4.416 50 0 EIAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c1 ZINC000012299827 211337332 /nfs/dbraw/zinc/33/73/32/211337332.db2.gz VSQLXOHWYRWRCV-QFIPXVFZSA-N 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OLKZCNWBQSKZAQ-NSHDSACASA-N 0 0 331.416 4.439 50 0 EIAARN COc1ccc(N[C@@H]2CCCN(C(=O)C3(C)CCCCC3)C2)cc1 ZINC000011937093 211272297 /nfs/dbraw/zinc/27/22/97/211272297.db2.gz JNPKOHLNIZJFBY-QGZVFWFLSA-N 0 0 330.472 4.069 50 0 EIAARN CO[C@H]1CCCN(C(=O)c2ccc3nc(C4CCCCC4)oc3c2)C1 ZINC000011934600 211271709 /nfs/dbraw/zinc/27/17/09/211271709.db2.gz CMHCNFYEZBYCNU-INIZCTEOSA-N 0 0 342.439 4.127 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 ZINC000011916792 211269500 /nfs/dbraw/zinc/26/95/00/211269500.db2.gz METKEPJZSOFLRE-UHFFFAOYSA-N 0 0 340.354 4.440 50 0 EIAARN CC[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000011922050 211269589 /nfs/dbraw/zinc/26/95/89/211269589.db2.gz QNCOLHYQLJCCON-MRXNPFEDSA-N 0 0 333.435 4.127 50 0 EIAARN CCOc1ccccc1NC(=O)c1cc(=O)c2c(C)cc(C)cc2o1 ZINC000011914564 211268119 /nfs/dbraw/zinc/26/81/19/211268119.db2.gz FAVNFWQBYJKNLF-UHFFFAOYSA-N 0 0 337.375 4.061 50 0 EIAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2onc3c2CCCC3)c1 ZINC000011914998 211268152 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COc1cccc(NC(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC000011561845 211222334 /nfs/dbraw/zinc/22/23/34/211222334.db2.gz KUXWHRSXGVUTNF-UHFFFAOYSA-N 0 0 340.301 4.280 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000091726108 218055089 /nfs/dbraw/zinc/05/50/89/218055089.db2.gz OUQYFZYYAHQJBW-NSHDSACASA-N 0 0 349.525 4.401 50 0 EIAARN Cc1ccc(OC[C@H](O)CSc2ccccn2)c(C(C)(C)C)c1 ZINC000011692580 211234769 /nfs/dbraw/zinc/23/47/69/211234769.db2.gz GLNXCSFNGJPTTM-HNNXBMFYSA-N 0 0 331.481 4.220 50 0 EIAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1cc(C)cc(C)c1 ZINC000011690214 211234531 /nfs/dbraw/zinc/23/45/31/211234531.db2.gz XJVUBPRMEWEIND-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Oc3ccccc3)c12 ZINC000011611178 211224885 /nfs/dbraw/zinc/22/48/85/211224885.db2.gz RYWNHCSNZJSQCP-UHFFFAOYSA-N 0 0 349.415 4.224 50 0 EIAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3)c12 ZINC000011610295 211224750 /nfs/dbraw/zinc/22/47/50/211224750.db2.gz QTTZRWJHPXHSPS-UHFFFAOYSA-N 0 0 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COc1ccc(NC(=O)c2csc(-c3ccsc3)n2)c(OC)c1 ZINC000009690706 211115572 /nfs/dbraw/zinc/11/55/72/211115572.db2.gz RWBSHDNNWDAMIE-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN CC(C)Cc1ccc([C@H](NC(=O)NCc2ccccn2)C(C)C)cc1 ZINC000009795975 211123881 /nfs/dbraw/zinc/12/38/81/211123881.db2.gz PLRHTCNENBXUCP-HXUWFJFHSA-N 0 0 339.483 4.477 50 0 EIAARN CCN(CCCNc1nc(-c2ccccc2F)no1)c1ccccc1 ZINC000009726802 211119695 /nfs/dbraw/zinc/11/96/95/211119695.db2.gz QRGBIUJOWAXEHE-UHFFFAOYSA-N 0 0 340.402 4.204 50 0 EIAARN Cc1cccc(NC(=O)NCc2cccn2Cc2ccccc2F)c1 ZINC000009723808 211119777 /nfs/dbraw/zinc/11/97/77/211119777.db2.gz UKWUMHFZZJYYAU-UHFFFAOYSA-N 0 0 337.398 4.306 50 0 EIAARN COc1ccccc1NC(=O)/C=C/c1ccc(Br)s1 ZINC000009721401 211117302 /nfs/dbraw/zinc/11/73/02/211117302.db2.gz ZTGJUQXUKWSHHD-VQHVLOKHSA-N 0 0 338.226 4.171 50 0 EIAARN Clc1snnc1CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000009578288 211103529 /nfs/dbraw/zinc/10/35/29/211103529.db2.gz UAINQQCFINFFMA-UHFFFAOYSA-N 0 0 349.828 4.015 50 0 EIAARN Cc1ccn2cc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc2n1 ZINC000009572065 211102392 /nfs/dbraw/zinc/10/23/92/211102392.db2.gz MMZRVLAOPLGRJC-UHFFFAOYSA-N 0 0 346.365 4.096 50 0 EIAARN CCCC(=O)Nc1ccc(Nc2nc(C)cc(N(CC)CC)n2)cc1 ZINC000009573375 211102193 /nfs/dbraw/zinc/10/21/93/211102193.db2.gz UIPPUJSBGWBFGE-UHFFFAOYSA-N 0 0 341.459 4.113 50 0 EIAARN Cc1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)cc1C ZINC000009687654 211114047 /nfs/dbraw/zinc/11/40/47/211114047.db2.gz BLZUYTIWIVULQW-UHFFFAOYSA-N 0 0 337.448 4.116 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)c1 ZINC000009687649 211113065 /nfs/dbraw/zinc/11/30/65/211113065.db2.gz DOQXEQOTSKFKQH-UHFFFAOYSA-N 0 0 337.448 4.116 50 0 EIAARN O=C(CSc1ncc(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC000009667806 211112532 /nfs/dbraw/zinc/11/25/32/211112532.db2.gz GOPXVXHPWBEQID-UHFFFAOYSA-N 0 0 341.823 4.167 50 0 EIAARN Cc1nc2ccccc2c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1 ZINC000009635994 211111311 /nfs/dbraw/zinc/11/13/11/211111311.db2.gz HWQPBKOJYVIPKJ-NSHDSACASA-N 0 0 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CCOc1ccc2oc(=O)c(C(=O)Nc3cc(C)ccc3C)cc2c1 ZINC000009236152 211057045 /nfs/dbraw/zinc/05/70/45/211057045.db2.gz RLPZEROGADDLMK-UHFFFAOYSA-N 0 0 337.375 4.061 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000009230472 211056960 /nfs/dbraw/zinc/05/69/60/211056960.db2.gz CUXKIFSIJGULGI-SFHVURJKSA-N 0 0 340.423 4.077 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C)c1 ZINC000009229939 211056291 /nfs/dbraw/zinc/05/62/91/211056291.db2.gz NDWUNFATFHZITO-UHFFFAOYSA-N 0 0 340.423 4.060 50 0 EIAARN O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1c(F)cccc1F ZINC000009169668 211048538 /nfs/dbraw/zinc/04/85/38/211048538.db2.gz ICYNCECYKQHJHQ-UHFFFAOYSA-N 0 0 341.273 4.013 50 0 EIAARN O=C(NCc1ccccc1Cl)c1cnn(-c2ccccc2)c1Cl ZINC000095117417 218281567 /nfs/dbraw/zinc/28/15/67/218281567.db2.gz UDQPBDCSPIANDX-UHFFFAOYSA-N 0 0 346.217 4.109 50 0 EIAARN Fc1cc(F)c(OC(Cl)(Cl)Cl)c(Br)c1 ZINC000095215742 218282495 /nfs/dbraw/zinc/28/24/95/218282495.db2.gz MNRLBGYQFQDSRB-UHFFFAOYSA-N 0 0 326.351 4.434 50 0 EIAARN CCC(CC)NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 ZINC000009156743 211046749 /nfs/dbraw/zinc/04/67/49/211046749.db2.gz SEEAGFKSYYMNHV-UHFFFAOYSA-N 0 0 345.443 4.049 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(C(F)(F)F)cc1 ZINC000009154948 211046215 /nfs/dbraw/zinc/04/62/15/211046215.db2.gz DXVGXYMIVQGQHC-UHFFFAOYSA-N 0 0 333.269 4.008 50 0 EIAARN CN(Cc1ccccc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000009114390 211041873 /nfs/dbraw/zinc/04/18/73/211041873.db2.gz RXNPMCWQONREOH-MRXNPFEDSA-N 0 0 330.428 4.204 50 0 EIAARN Cc1cn2nc(Oc3ccc(OCc4ccccc4)cc3)sc2n1 ZINC000095352981 218287541 /nfs/dbraw/zinc/28/75/41/218287541.db2.gz OVCDQPVWDGJGDJ-UHFFFAOYSA-N 0 0 337.404 4.471 50 0 EIAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1Cl ZINC000009134366 211043223 /nfs/dbraw/zinc/04/32/23/211043223.db2.gz QIYRZXLXMLNVPR-UHFFFAOYSA-N 0 0 335.190 4.130 50 0 EIAARN CCCOc1nn(CCC)cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009071034 211037478 /nfs/dbraw/zinc/03/74/78/211037478.db2.gz WTOSUUDKTAUSCB-UHFFFAOYSA-N 0 0 339.798 4.127 50 0 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Cc1ccc(C)c(OC(=O)CSc2nnc(-c3cccs3)o2)c1 ZINC000008587386 210969857 /nfs/dbraw/zinc/96/98/57/210969857.db2.gz SEDDCCPWEKGFEF-UHFFFAOYSA-N 0 0 346.433 4.113 50 0 EIAARN Cc1csc(CSc2nnc3c(Cl)cc(Cl)cn23)n1 ZINC000095418395 218357777 /nfs/dbraw/zinc/35/77/77/218357777.db2.gz IWWBTQBGIRGFGN-UHFFFAOYSA-N 0 0 331.253 4.093 50 0 EIAARN C[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000095419552 218359420 /nfs/dbraw/zinc/35/94/20/218359420.db2.gz VKEZCWVNJAYVBW-HRAATJIYSA-N 0 0 344.418 4.301 50 0 EIAARN CC[C@@H](NC(=O)N1CCO[C@H](c2ccsc2)C1)c1cccs1 ZINC000095412410 218349522 /nfs/dbraw/zinc/34/95/22/218349522.db2.gz GNSPVKUWHYVKSQ-KGLIPLIRSA-N 0 0 336.482 4.044 50 0 EIAARN C[C@@H](NCc1cn2cc(Br)ccc2n1)c1ccsc1 ZINC000095420693 218362006 /nfs/dbraw/zinc/36/20/06/218362006.db2.gz UYSVOWPGRLCWSS-SNVBAGLBSA-N 0 0 336.258 4.009 50 0 EIAARN CCOC(=O)c1sc(N[C@@H](C)c2ccc(F)cc2F)nc1C ZINC000095427474 218368982 /nfs/dbraw/zinc/36/89/82/218368982.db2.gz GBLNVZIRUYQXQN-QMMMGPOBSA-N 0 0 326.368 4.080 50 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CCCN(CCC)C(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000005050942 210376227 /nfs/dbraw/zinc/37/62/27/210376227.db2.gz XSSYNNQDIHERNJ-UHFFFAOYSA-N 0 0 333.284 4.130 50 0 EIAARN CN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005051269 210375669 /nfs/dbraw/zinc/37/56/69/210375669.db2.gz QOCYPFZMUNMKFR-UHFFFAOYSA-N 0 0 325.389 4.173 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000005061191 210379610 /nfs/dbraw/zinc/37/96/10/210379610.db2.gz PUVOKOOLZDHBAW-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN Cc1cnc([C@H](C)CNC(=O)Nc2cccc(-c3ncco3)c2)s1 ZINC000097113482 218961764 /nfs/dbraw/zinc/96/17/64/218961764.db2.gz ICQXVHQCUFUDNL-LLVKDONJSA-N 0 0 342.424 4.032 50 0 EIAARN CC(C)NC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036742 210371710 /nfs/dbraw/zinc/37/17/10/210371710.db2.gz MZIVUSMSRBDPMD-ZDUSSCGKSA-N 0 0 341.842 4.442 50 0 EIAARN CC(C)CCNc1nc2c(-c3ccccc3)nnn2c2ccccc21 ZINC000005035198 210370302 /nfs/dbraw/zinc/37/03/02/210370302.db2.gz BTTWYRQUHXWVMH-UHFFFAOYSA-N 0 0 331.423 4.403 50 0 EIAARN COc1ccc(NC(=O)c2ccoc2COc2ccc(C)cc2)cc1 ZINC000005032776 210368211 /nfs/dbraw/zinc/36/82/11/210368211.db2.gz HMOSKVGIADWDGN-UHFFFAOYSA-N 0 0 337.375 4.428 50 0 EIAARN Cc1ccc([C@@]2(CC(=O)N3CCCCC3)CCO[C@@H](C(C)C)C2)cc1 ZINC000005024934 210365781 /nfs/dbraw/zinc/36/57/81/210365781.db2.gz ATVIILYCGCSENE-IRLDBZIGSA-N 0 0 343.511 4.470 50 0 EIAARN N=C1NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S1 ZINC000005027431 210366341 /nfs/dbraw/zinc/36/63/41/210366341.db2.gz MCNIXRWSSHCKSP-DHDCSXOGSA-N 0 0 344.823 4.058 50 0 EIAARN CCc1c(C(=O)Nc2cc(Cl)ccc2OC)[nH]c(C)c1C(C)=O ZINC000005026150 210364836 /nfs/dbraw/zinc/36/48/36/210364836.db2.gz WVNRZOZQUSMATA-UHFFFAOYSA-N 0 0 334.803 4.002 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000005001108 210357397 /nfs/dbraw/zinc/35/73/97/210357397.db2.gz XCESHTWOUPBPCA-UHFFFAOYSA-N 0 0 338.338 4.296 50 0 EIAARN CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1 ZINC000004994962 210353752 /nfs/dbraw/zinc/35/37/52/210353752.db2.gz XPVMZXXDWURXGZ-UHFFFAOYSA-N 0 0 334.419 4.088 50 0 EIAARN Cc1ccc(Cn2cccc2C2=N[C@H](Cc3ccccc3)CO2)cc1 ZINC000004970434 210344075 /nfs/dbraw/zinc/34/40/75/210344075.db2.gz QEIKUQPTDJQMTH-HXUWFJFHSA-N 0 0 330.431 4.233 50 0 EIAARN CSCC[C@H]1COC(c2cccn2Cc2c(C)cc(C)cc2C)=N1 ZINC000004970724 210343367 /nfs/dbraw/zinc/34/33/67/210343367.db2.gz MPNVZEVLYLNZOL-KRWDZBQOSA-N 0 0 342.508 4.360 50 0 EIAARN Clc1ccccc1OCc1nn2c(nnc2-c2cccs2)s1 ZINC000004939227 210330304 /nfs/dbraw/zinc/33/03/04/210330304.db2.gz TYHFQZLWKILIGW-UHFFFAOYSA-N 0 0 348.840 4.147 50 0 EIAARN Cc1c(C(=O)NCc2ccccc2)sc2nc(-c3ccccc3)cn12 ZINC000004930783 210326903 /nfs/dbraw/zinc/32/69/03/210326903.db2.gz NEEGRBXLYGRFLT-UHFFFAOYSA-N 0 0 347.443 4.301 50 0 EIAARN O=C(CSc1c2c(nc3ccccc31)CCC2)N1CCCCCC1 ZINC000004923739 210326303 /nfs/dbraw/zinc/32/63/03/210326303.db2.gz QDMHQOCKDYCVHE-UHFFFAOYSA-N 0 0 340.492 4.218 50 0 EIAARN CC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccccn2)cc1 ZINC000004916324 210323106 /nfs/dbraw/zinc/32/31/06/210323106.db2.gz FVHQBUFUMPXDQN-HXUWFJFHSA-N 0 0 343.386 4.055 50 0 EIAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000003504309 208562155 /nfs/dbraw/zinc/56/21/55/208562155.db2.gz KZZAAUFVWQGFNC-INIZCTEOSA-N 0 0 325.408 4.220 50 0 EIAARN CCc1ccccc1NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O ZINC000004940366 210331754 /nfs/dbraw/zinc/33/17/54/210331754.db2.gz YJDSXJZQNPMJEQ-UHFFFAOYSA-N 0 0 346.430 4.020 50 0 EIAARN Cc1ccc(Cn2cccc(C(=O)Nc3cc(C)cc(C)c3)c2=O)cc1 ZINC000004940404 210331438 /nfs/dbraw/zinc/33/14/38/210331438.db2.gz UAJRUCLIGLMCQV-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN COc1cc(SC)ccc1C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000003513489 208564668 /nfs/dbraw/zinc/56/46/68/208564668.db2.gz REIFEAJMKNUFLF-ZDUSSCGKSA-N 0 0 344.432 4.154 50 0 EIAARN COc1cccc(CNC(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000007007653 208570575 /nfs/dbraw/zinc/57/05/75/208570575.db2.gz YYERWYWHHRBIFK-UHFFFAOYSA-N 0 0 333.387 4.418 50 0 EIAARN Cc1ccc(/C=C2\NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000004883231 210311818 /nfs/dbraw/zinc/31/18/18/210311818.db2.gz GDUVECRWTFCYRS-NVNXTCNLSA-N 0 0 346.814 4.050 50 0 EIAARN O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1cccs1 ZINC000004854595 210302142 /nfs/dbraw/zinc/30/21/42/210302142.db2.gz HPLWYRQUSGGVIE-OAHLLOKOSA-N 0 0 329.450 4.248 50 0 EIAARN Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccs2)cc1 ZINC000004854553 210301732 /nfs/dbraw/zinc/30/17/32/210301732.db2.gz BTSXBDYULTXUBZ-GOSISDBHSA-N 0 0 337.448 4.495 50 0 EIAARN CCCCOc1ccc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)cc1 ZINC000004845934 210297528 /nfs/dbraw/zinc/29/75/28/210297528.db2.gz LSBZHYHVKOXUQL-ATVHPVEESA-N 0 0 325.364 4.111 50 0 EIAARN CC(C)(C)c1ccc(C(=O)Nc2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000004850546 210298946 /nfs/dbraw/zinc/29/89/46/210298946.db2.gz RCHQPPCBZUFKGC-UHFFFAOYSA-N 0 0 348.446 4.072 50 0 EIAARN O=C(Nc1ccc(C(=O)c2cccs2)cc1)c1ccccc1F ZINC000004869411 210308632 /nfs/dbraw/zinc/30/86/32/210308632.db2.gz IMQMONRDCQQIIW-UHFFFAOYSA-N 0 0 325.364 4.371 50 0 EIAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(F)cc1 ZINC000004869821 210308795 /nfs/dbraw/zinc/30/87/95/210308795.db2.gz DWLABMDYCCQUQM-UHFFFAOYSA-N 0 0 338.338 4.232 50 0 EIAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)c1ccc(C)cc1 ZINC000004868108 210308245 /nfs/dbraw/zinc/30/82/45/210308245.db2.gz YJYKHVZQBXJMCF-UHFFFAOYSA-N 0 0 333.435 4.417 50 0 EIAARN Cc1ccc(-c2noc(CN(C(=O)CC(C)(C)C)C(C)C)n2)cc1 ZINC000004866137 210306992 /nfs/dbraw/zinc/30/69/92/210306992.db2.gz IJVUEPVDTSQMCA-UHFFFAOYSA-N 0 0 329.444 4.218 50 0 EIAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 ZINC000004867424 210307033 /nfs/dbraw/zinc/30/70/33/210307033.db2.gz HHGCKHHCZAOPSU-FPOVZHCZSA-N 0 0 345.377 4.463 50 0 EIAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 ZINC000004867426 210306225 /nfs/dbraw/zinc/30/62/25/210306225.db2.gz HHGCKHHCZAOPSU-CTNGQTDRSA-N 0 0 345.377 4.463 50 0 EIAARN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1OC ZINC000004843091 210296354 /nfs/dbraw/zinc/29/63/54/210296354.db2.gz CEMWOQFNZOJFBA-UHFFFAOYSA-N 0 0 329.396 4.088 50 0 EIAARN CCOc1ccc(NC(=O)CSCc2ccccc2)cc1OCC ZINC000004836578 210293631 /nfs/dbraw/zinc/29/36/31/210293631.db2.gz KXKFKOUHYNXEFJ-UHFFFAOYSA-N 0 0 345.464 4.356 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1nnc(-c2ccccc2)s1 ZINC000004827385 210289243 /nfs/dbraw/zinc/28/92/43/210289243.db2.gz SXSZHQMBXNRJSY-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccccc1-c1ncc[nH]1 ZINC000097532493 219034541 /nfs/dbraw/zinc/03/45/41/219034541.db2.gz XUHKXWHGHDYHCL-CQSZACIVSA-N 0 0 344.418 4.391 50 0 EIAARN CC(C)C(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000004814994 210284566 /nfs/dbraw/zinc/28/45/66/210284566.db2.gz WBRYXGGTCDIRTB-OALUTQOASA-N 0 0 346.434 4.002 50 0 EIAARN Cc1cc([C@@H]2CCCCN2Cc2cnn(-c3cccc(F)c3)c2)no1 ZINC000097463646 219026656 /nfs/dbraw/zinc/02/66/56/219026656.db2.gz PFWMBWUVTPFKDB-IBGZPJMESA-N 0 0 340.402 4.035 50 0 EIAARN Cc1ccc(-c2noc(CCCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000004810980 210283007 /nfs/dbraw/zinc/28/30/07/210283007.db2.gz PPFOYUGJDZVINO-UHFFFAOYSA-N 0 0 335.407 4.315 50 0 EIAARN CC1(c2ccccc2)COC(c2ccc(Br)cc2)OC1 ZINC000004782702 210276511 /nfs/dbraw/zinc/27/65/11/210276511.db2.gz SCXHPLJOQKPFJH-UHFFFAOYSA-N 0 0 333.225 4.452 50 0 EIAARN CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)c3ccccc3)c12 ZINC000004745971 210269061 /nfs/dbraw/zinc/26/90/61/210269061.db2.gz ZCTITRLINOITLJ-AWEZNQCLSA-N 0 0 336.387 4.314 50 0 EIAARN CCSc1nnc2c3cc(F)ccc3n(Cc3ccccc3)c2n1 ZINC000004748365 210268971 /nfs/dbraw/zinc/26/89/71/210268971.db2.gz IMWCUXKICOWSDH-UHFFFAOYSA-N 0 0 338.411 4.279 50 0 EIAARN COc1nc(C(=O)Nc2ccc(F)cc2Cl)cc2ccccc21 ZINC000129078579 533173345 /nfs/dbraw/zinc/17/33/45/533173345.db2.gz BPWQTEBWMYIPKN-UHFFFAOYSA-N 0 0 330.746 4.288 50 0 EIAARN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(Br)cc2)C1 ZINC000115037106 220800888 /nfs/dbraw/zinc/80/08/88/220800888.db2.gz NFTKVQYDQFSNHQ-LBPRGKRZSA-N 0 0 326.234 4.174 50 0 EIAARN CCCOc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)c(C)c1 ZINC000117625201 221078508 /nfs/dbraw/zinc/07/85/08/221078508.db2.gz JZONQJVHKZJEBI-UHFFFAOYSA-N 0 0 335.407 4.222 50 0 EIAARN Cc1cc(Br)c(NC(=O)C(Cl)(Cl)Cl)cc1C ZINC000002172268 257869093 /nfs/dbraw/zinc/86/90/93/257869093.db2.gz ONQRVDJIEIGAFH-UHFFFAOYSA-N 0 0 345.451 4.375 50 0 EIAARN O=C(COc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 ZINC000007755965 257898458 /nfs/dbraw/zinc/89/84/58/257898458.db2.gz ZTAUBGDQYGWDOE-UHFFFAOYSA-N 0 0 343.732 4.054 50 0 EIAARN O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc(O)cc1 ZINC000524735100 257842548 /nfs/dbraw/zinc/84/25/48/257842548.db2.gz VIFPCNSHOZEFLZ-GOSISDBHSA-N 0 0 340.810 4.465 50 0 EIAARN Cc1c(CSC(C)C)cccc1NC(=O)NCc1ccncc1 ZINC000173876136 257954821 /nfs/dbraw/zinc/95/48/21/257954821.db2.gz WHMZNUSPKRRMQQ-UHFFFAOYSA-N 0 0 329.469 4.353 50 0 EIAARN Cc1ccc(F)c2c1CCCN2C(=O)c1csc([C@H]2CCCO2)n1 ZINC000120809405 257974782 /nfs/dbraw/zinc/97/47/82/257974782.db2.gz HFYWBGQOIWFMCP-OAHLLOKOSA-N 0 0 346.427 4.035 50 0 EIAARN CCO[C@H](CC)CNC(=O)c1ccc(-c2cc(C)c(O)c(C)c2)cc1 ZINC000426465350 257967350 /nfs/dbraw/zinc/96/73/50/257967350.db2.gz YCJVGRJMYUAMLR-LJQANCHMSA-N 0 0 341.451 4.221 50 0 EIAARN O=C(Nc1ccncc1F)C1(c2ccc(Br)cc2)CCC1 ZINC000132008385 257971353 /nfs/dbraw/zinc/97/13/53/257971353.db2.gz HBMWCLOQSIYRIQ-UHFFFAOYSA-N 0 0 349.203 4.044 50 0 EIAARN O=C(C[C@H]1C=CCC1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000115258352 257975233 /nfs/dbraw/zinc/97/52/33/257975233.db2.gz OTWZTYGXHUDJRC-FYSMJZIKSA-N 0 0 339.460 4.289 50 0 EIAARN O=C(Nc1ccc(F)c(C2CC2)c1)N1CCCC2(CCOCC2)C1 ZINC000374184612 257930038 /nfs/dbraw/zinc/93/00/38/257930038.db2.gz UXVKWIKHZTURBN-UHFFFAOYSA-N 0 0 332.419 4.128 50 0 EIAARN COCc1ccsc1C(=O)Nc1ccc2cn(C(C)C)nc2c1 ZINC000353009104 257930626 /nfs/dbraw/zinc/93/06/26/257930626.db2.gz SNJFQMPBEDHXNQ-UHFFFAOYSA-N 0 0 329.425 4.077 50 0 EIAARN COc1ccc(OC(=O)Nc2csc(Cc3ccsc3)n2)cc1 ZINC000000172354 258047819 /nfs/dbraw/zinc/04/78/19/258047819.db2.gz OGQIQBGOLUVUQJ-UHFFFAOYSA-N 0 0 346.433 4.415 50 0 EIAARN Cc1ccc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)cc1O ZINC000408513175 257984718 /nfs/dbraw/zinc/98/47/18/257984718.db2.gz INGAFHIDBSEXGT-UHFFFAOYSA-N 0 0 346.814 4.201 50 0 EIAARN CCOc1ccc2c(c1)occ(Oc1ccccc1OCC)c2=O ZINC000000464833 258002877 /nfs/dbraw/zinc/00/28/77/258002877.db2.gz SRQGFLFHMYMJOB-UHFFFAOYSA-N 0 0 326.348 4.383 50 0 biogenic EIAARN COc1cccc(Cl)c1CN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000330031737 258003139 /nfs/dbraw/zinc/00/31/39/258003139.db2.gz CMGZNLPEJWQOFR-HNNXBMFYSA-N 0 0 335.835 4.096 50 0 EIAARN O=C(CCc1ccncc1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000280733957 258013403 /nfs/dbraw/zinc/01/34/03/258013403.db2.gz RHYOQCGAILDRQA-JCNLHEQBSA-N 0 0 348.368 4.095 50 0 EIAARN Cc1c(NC(=O)N[C@H](C)c2ccc(O)cc2)cccc1N1CCCC1 ZINC000299777665 258087911 /nfs/dbraw/zinc/08/79/11/258087911.db2.gz CLYSJHGTAYRTSJ-OAHLLOKOSA-N 0 0 339.439 4.184 50 0 EIAARN CC[C@H]1CCCN1C(=O)c1cccc(-c2ccc(OC)cc2OC)c1 ZINC000299786108 258093191 /nfs/dbraw/zinc/09/31/91/258093191.db2.gz VYIQBJDKLFJUDE-KRWDZBQOSA-N 0 0 339.435 4.385 50 0 EIAARN CN(CC1(CO)CCC1)C(=O)c1cccc(-c2ccccc2Cl)c1 ZINC000299787195 258093786 /nfs/dbraw/zinc/09/37/86/258093786.db2.gz VQNPEDPECITYRJ-UHFFFAOYSA-N 0 0 343.854 4.242 50 0 EIAARN Cc1cccnc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000455897 258048334 /nfs/dbraw/zinc/04/83/34/258048334.db2.gz BHXHEYFKDAXFFR-UHFFFAOYSA-N 0 0 347.443 4.184 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCO2 ZINC000003353463 258050622 /nfs/dbraw/zinc/05/06/22/258050622.db2.gz YELHVBBATKQGRW-KGLIPLIRSA-N 0 0 340.423 4.368 50 0 EIAARN Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)ccc1Br ZINC000004551697 258051087 /nfs/dbraw/zinc/05/10/87/258051087.db2.gz PBMHKRZEEVTCCF-ZDUSSCGKSA-N 0 0 348.240 4.014 50 0 EIAARN CCc1cccc(N[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000012534276 258054658 /nfs/dbraw/zinc/05/46/58/258054658.db2.gz HRVDHPMUGRWOHC-NSHDSACASA-N 0 0 327.453 4.337 50 0 EIAARN O=C(CCC(=O)c1cccs1)Nc1ccc(-c2nccs2)cc1 ZINC000012614893 258055180 /nfs/dbraw/zinc/05/51/80/258055180.db2.gz WCTZTRXNXSEMEX-UHFFFAOYSA-N 0 0 342.445 4.473 50 0 EIAARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(F)cc2)no1 ZINC000012879923 258055608 /nfs/dbraw/zinc/05/56/08/258055608.db2.gz ZIYWUHATOYSDIM-UHFFFAOYSA-N 0 0 342.713 4.303 50 0 EIAARN Cc1ccc(F)cc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000012877763 258055634 /nfs/dbraw/zinc/05/56/34/258055634.db2.gz BFIIARUIANIZGX-CQSZACIVSA-N 0 0 344.455 4.464 50 0 EIAARN CC[C@H](C)NC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058059 258062520 /nfs/dbraw/zinc/06/25/20/258062520.db2.gz JGYJBWQDQGQLST-HNNXBMFYSA-N 0 0 347.418 4.464 50 0 EIAARN Cc1ccc(CN(C(=O)c2cnccn2)[C@@H]2CCc3ccccc32)cc1 ZINC000071808659 258064007 /nfs/dbraw/zinc/06/40/07/258064007.db2.gz JWJDKNASRWFGDZ-OAQYLSRUSA-N 0 0 343.430 4.115 50 0 EIAARN Cc1cccnc1[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000299759429 258076806 /nfs/dbraw/zinc/07/68/06/258076806.db2.gz RHBOYYLKVHARFF-GOSISDBHSA-N 0 0 348.368 4.219 50 0 EIAARN Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)s1 ZINC000299768555 258082602 /nfs/dbraw/zinc/08/26/02/258082602.db2.gz JYIDUODCMMEOHJ-MRXNPFEDSA-N 0 0 332.444 4.195 50 0 EIAARN O=C(c1ccnc(OCc2ccccc2)c1)N1CCCc2ccccc21 ZINC000053057742 132185725 /nfs/dbraw/zinc/18/57/25/132185725.db2.gz JACCAVJRKTYEDA-UHFFFAOYSA-N 0 0 344.414 4.254 50 0 EIAARN CCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055543273 132195613 /nfs/dbraw/zinc/19/56/13/132195613.db2.gz KZKFGNCNNHXMEL-UHFFFAOYSA-N 0 0 330.859 4.061 50 0 EIAARN C[C@@H]1C(=O)N(c2ccc(C(C)(C)C)cc2)CCN1Cc1ccccc1 ZINC000037519605 132393922 /nfs/dbraw/zinc/39/39/22/132393922.db2.gz PPQIGKLGOILCBT-QGZVFWFLSA-N 0 0 336.479 4.221 50 0 EIAARN CCN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3Cl)ccc21 ZINC000038706825 132397085 /nfs/dbraw/zinc/39/70/85/132397085.db2.gz VUIFCWBHMQNXHL-UHFFFAOYSA-N 0 0 346.789 4.031 50 0 EIAARN O=C(c1csc(-c2ccco2)n1)N1CCCc2c(F)cc(F)cc21 ZINC000040090413 132397850 /nfs/dbraw/zinc/39/78/50/132397850.db2.gz RIFJXOXWLLXECU-UHFFFAOYSA-N 0 0 346.358 4.274 50 0 EIAARN Cc1ccc(CN2CCN(C(=O)CC3CCCC3)c3cccnc32)cc1 ZINC000064663162 132806592 /nfs/dbraw/zinc/80/65/92/132806592.db2.gz ZXDPDKNYNSTZLL-UHFFFAOYSA-N 0 0 349.478 4.324 50 0 EIAARN Cc1cccc(-c2noc(-c3ccc(N4CCC(C)CC4)nc3)n2)c1 ZINC000064676839 132806920 /nfs/dbraw/zinc/80/69/20/132806920.db2.gz WKFMDLJJSFFFJD-UHFFFAOYSA-N 0 0 334.423 4.343 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)CN1CCCc2ccccc21 ZINC000003537018 135660430 /nfs/dbraw/zinc/66/04/30/135660430.db2.gz NRTZBYIWCGIUQK-UHFFFAOYSA-N 0 0 344.842 4.048 50 0 EIAARN O=C(COc1cc(Cl)ccc1Cl)N1CCCc2ccccc21 ZINC000004524333 135664527 /nfs/dbraw/zinc/66/45/27/135664527.db2.gz UNQBUHAJRCYJSR-UHFFFAOYSA-N 0 0 336.218 4.352 50 0 EIAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccccc1 ZINC000005136199 135670260 /nfs/dbraw/zinc/67/02/60/135670260.db2.gz CIKLRZLWXMIRPE-UHFFFAOYSA-N 0 0 346.386 4.125 50 0 EIAARN Cc1cccc(N2CCN(c3ncnc4c5ccccc5oc43)CC2)c1 ZINC000005185864 135670551 /nfs/dbraw/zinc/67/05/51/135670551.db2.gz HQZLIPRGTJEPPF-UHFFFAOYSA-N 0 0 344.418 4.011 50 0 EIAARN CC(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000007989831 135681942 /nfs/dbraw/zinc/68/19/42/135681942.db2.gz SNZXOPRQGMCYPL-JTQLQIEISA-N 0 0 347.823 4.421 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1ccccc1Cl)c1cc(F)ccc1O2 ZINC000021117923 135723450 /nfs/dbraw/zinc/72/34/50/135723450.db2.gz YWAZOYTVRRIVIS-CXAGYDPISA-N 0 0 348.830 4.414 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)c2)no1 ZINC000158465560 225021664 /nfs/dbraw/zinc/02/16/64/225021664.db2.gz KXJQEQFYCSPFKY-FZKQIMNGSA-N 0 0 348.406 4.270 50 0 EIAARN c1ccc(-c2nc3ccccc3c(NCc3nnc(C4CC4)o3)n2)cc1 ZINC000170601961 226644483 /nfs/dbraw/zinc/64/44/83/226644483.db2.gz XTKZHAXGAGCLPG-UHFFFAOYSA-N 0 0 343.390 4.169 50 0 EIAARN CCCCN(C(=O)c1cnc(-c2ncccn2)s1)c1ccccc1 ZINC000121407084 221836099 /nfs/dbraw/zinc/83/60/99/221836099.db2.gz FBBJMTYMYWAZSI-UHFFFAOYSA-N 0 0 338.436 4.047 50 0 EIAARN Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(C)c(F)c(C)c1)CCC2 ZINC000121858047 221954668 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CSc1ccc(Cl)c(C(=O)NCCOc2ccccc2F)c1 ZINC000003000113 526012304 /nfs/dbraw/zinc/01/23/04/526012304.db2.gz XJZOZYZSURNWTE-UHFFFAOYSA-N 0 0 339.819 4.010 50 0 EIAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000040119892 526033496 /nfs/dbraw/zinc/03/34/96/526033496.db2.gz HLPGJFBTNSAHHA-HNNXBMFYSA-N 0 0 332.407 4.207 50 0 EIAARN COc1cccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 ZINC000014094305 526182936 /nfs/dbraw/zinc/18/29/36/526182936.db2.gz VHLNOYMRXXQCIT-UHFFFAOYSA-N 0 0 342.395 4.139 50 0 EIAARN O=C(CCSc1nc2ccccc2[nH]1)NCc1ccccc1Cl ZINC000028904728 526545689 /nfs/dbraw/zinc/54/56/89/526545689.db2.gz KELCOQTZPCWXKN-UHFFFAOYSA-N 0 0 345.855 4.015 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cc2occc2[nH]1 ZINC000132235975 528543387 /nfs/dbraw/zinc/54/33/87/528543387.db2.gz YJKHBIVMVYOUQJ-GFCCVEGCSA-N 0 0 336.395 4.183 50 0 EIAARN CCOCCC1(CNC(=O)c2cc(Cl)ncc2Cl)CCCC1 ZINC000156080204 528630678 /nfs/dbraw/zinc/63/06/78/528630678.db2.gz FSPOYUSXBNBGPN-UHFFFAOYSA-N 0 0 345.270 4.105 50 0 EIAARN CC(C)n1cnc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccn2)c1 ZINC000225606136 535099707 /nfs/dbraw/zinc/09/97/07/535099707.db2.gz AOLWGPWGUNXAQR-KRWDZBQOSA-N 0 0 348.450 4.263 50 0 EIAARN CC(C)(C)c1cnc(C2CCN(C(=O)c3ccccc3F)CC2)o1 ZINC000227163780 535137763 /nfs/dbraw/zinc/13/77/63/535137763.db2.gz LSIYAUGPOFRBPB-UHFFFAOYSA-N 0 0 330.403 4.131 50 0 EIAARN CCc1ccc(N2COc3ccc4c(CC)cc(=O)oc4c3C2)cc1 ZINC000005484650 536185203 /nfs/dbraw/zinc/18/52/03/536185203.db2.gz YWFZMDGJPXXIDW-UHFFFAOYSA-N 0 0 335.403 4.274 50 0 EIAARN CNC(=O)c1ccc(Cl)c(NC(=O)c2csc3ccccc23)c1 ZINC000193315250 536429343 /nfs/dbraw/zinc/42/93/43/536429343.db2.gz IPPCCVGTZJPOFB-UHFFFAOYSA-N 0 0 344.823 4.167 50 0 EIAARN Cc1nn(C[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C ZINC000008714358 563636318 /nfs/dbraw/zinc/63/63/18/563636318.db2.gz HSNFPIYHUDYDJG-VIFPVBQESA-N 0 0 340.254 4.390 50 0 EIAARN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)c(F)cc1Cl ZINC000025060485 563880463 /nfs/dbraw/zinc/88/04/63/563880463.db2.gz 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/nfs/dbraw/zinc/22/76/91/563227691.db2.gz FTWYUWCJVZUUIE-UHFFFAOYSA-N 0 0 343.333 4.250 50 0 EIAARN S=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cccnc1 ZINC000000112742 563230400 /nfs/dbraw/zinc/23/04/00/563230400.db2.gz XMSURAYEVVMWQO-UHFFFAOYSA-N 0 0 347.658 4.355 50 0 EIAARN Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(N)cc1 ZINC000000112358 563230498 /nfs/dbraw/zinc/23/04/98/563230498.db2.gz OUFPCLUUQYRIQE-UHFFFAOYSA-N 0 0 330.844 4.010 50 0 EIAARN COc1ccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1 ZINC000000113719 563230629 /nfs/dbraw/zinc/23/06/29/563230629.db2.gz RQGVRIYROYVBIW-UHFFFAOYSA-N 0 0 340.448 4.476 50 0 EIAARN Cc1cc(C)n2c(nnc2SCc2ccc(Cl)cc2Cl)n1 ZINC000000114745 563231399 /nfs/dbraw/zinc/23/13/99/563231399.db2.gz JKCOJLVRIKNVLI-UHFFFAOYSA-N 0 0 339.251 4.340 50 0 EIAARN O=C(CSc1ncccn1)N1c2ccccc2CCc2ccccc21 ZINC000000117888 563232896 /nfs/dbraw/zinc/23/28/96/563232896.db2.gz OTBCOCQAXFXPFB-UHFFFAOYSA-N 0 0 347.443 4.032 50 0 EIAARN Cc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1 ZINC000000119484 563233731 /nfs/dbraw/zinc/23/37/31/563233731.db2.gz KXCZDTVQQABRNS-UHFFFAOYSA-N 0 0 325.375 4.272 50 0 EIAARN COc1ccc2c(c1)CCCN2C(=O)c1cc(F)c(F)cc1Cl ZINC000000122244 563235089 /nfs/dbraw/zinc/23/50/89/563235089.db2.gz ROHWKDPRZFJGAR-UHFFFAOYSA-N 0 0 337.753 4.220 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2ccccc2n1 ZINC000000129511 563238120 /nfs/dbraw/zinc/23/81/20/563238120.db2.gz RKRIEJVWUJWHRL-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nccnc2c1 ZINC000000131550 563238825 /nfs/dbraw/zinc/23/88/25/563238825.db2.gz YABKMNBTSFPCNX-UHFFFAOYSA-N 0 0 341.798 4.079 50 0 EIAARN Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(Cl)cc3)C2=O)c1 ZINC000000138000 563241251 /nfs/dbraw/zinc/24/12/51/563241251.db2.gz LSYONXIXLFMKMT-UHFFFAOYSA-N 0 0 347.201 4.084 50 0 EIAARN COC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000000139492 563241463 /nfs/dbraw/zinc/24/14/63/563241463.db2.gz PIPBTZSRGDJLSK-SECBINFHSA-N 0 0 342.178 4.121 50 0 EIAARN Cc1c(-c2ccnn2C(=O)Nc2ccccc2)cnn1-c1ccccc1 ZINC000000141350 563242195 /nfs/dbraw/zinc/24/21/95/563242195.db2.gz GTNRGGXKQGSLNN-UHFFFAOYSA-N 0 0 343.390 4.124 50 0 EIAARN Cn1nc(C(C)(C)C)c(NC(=O)c2ccc(F)cc2)c1C(C)(C)C ZINC000000147228 563244820 /nfs/dbraw/zinc/24/48/20/563244820.db2.gz SDPOWQNMLJCAPY-UHFFFAOYSA-N 0 0 331.435 4.407 50 0 EIAARN CCOC(=O)c1c(N)sc(C)c1-c1ccc(Br)cc1 ZINC000000148058 563244880 /nfs/dbraw/zinc/24/48/80/563244880.db2.gz MFVVINYQHDGNMM-UHFFFAOYSA-N 0 0 340.242 4.245 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)COc1ccccc1C(C)C ZINC000000148560 563245108 /nfs/dbraw/zinc/24/51/08/563245108.db2.gz CWRZQWFUUHLZQS-UHFFFAOYSA-N 0 0 333.815 4.490 50 0 EIAARN O=C(Nc1cccc2ccccc21)Nc1ccccc1N1CCOCC1 ZINC000000153978 563247111 /nfs/dbraw/zinc/24/71/11/563247111.db2.gz WNPBZHOWEHCIJB-UHFFFAOYSA-N 0 0 347.418 4.320 50 0 EIAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000000168718 563250276 /nfs/dbraw/zinc/25/02/76/563250276.db2.gz XFCUATJBJJINJY-LBPRGKRZSA-N 0 0 333.790 4.226 50 0 EIAARN O[C@@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@H]1CCc1ccccc1 ZINC000000169817 563250855 /nfs/dbraw/zinc/25/08/55/563250855.db2.gz BBKPDCPIJZWWPW-HKUYNNGSSA-N 0 0 347.380 4.204 50 0 EIAARN O=C1CS[C@@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000000179893 563253698 /nfs/dbraw/zinc/25/36/98/563253698.db2.gz YFDZQHSDURAARR-HNNXBMFYSA-N 0 0 334.238 4.228 50 0 EIAARN Cc1ccc2cccc(OC(=O)c3ccc(Br)o3)c2n1 ZINC000000181725 563254455 /nfs/dbraw/zinc/25/44/55/563254455.db2.gz VIASPPLZEGJRMT-UHFFFAOYSA-N 0 0 332.153 4.118 50 0 EIAARN Cc1ccc(S(=O)(=O)NC2c3ccccc3-c3ccccc32)cc1 ZINC000000197461 563258351 /nfs/dbraw/zinc/25/83/51/563258351.db2.gz ATCWSWBSLYSQQA-UHFFFAOYSA-N 0 0 335.428 4.043 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccs1 ZINC000000204336 563259343 /nfs/dbraw/zinc/25/93/43/563259343.db2.gz DFWCZDAKJINNOO-UHFFFAOYSA-N 0 0 332.812 4.295 50 0 EIAARN CCOC(=O)c1ccc(N2C(=O)[C@H](C)S[C@H]2c2ccccc2)cc1 ZINC000000205692 563259843 /nfs/dbraw/zinc/25/98/43/563259843.db2.gz BHAVOXLQOYWZIO-UGSOOPFHSA-N 0 0 341.432 4.030 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563290138 /nfs/dbraw/zinc/29/01/38/563290138.db2.gz RKKVLEJJGADCFC-UHFFFAOYSA-N 0 0 341.465 4.195 50 0 EIAARN COc1cccc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)c1 ZINC000000354035 563290537 /nfs/dbraw/zinc/29/05/37/563290537.db2.gz MZXLSEBFYXRLLN-UHFFFAOYSA-N 0 0 348.354 4.134 50 0 EIAARN Cc1nn(Cc2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1Cl ZINC000000355103 563290853 /nfs/dbraw/zinc/29/08/53/563290853.db2.gz QKFKETQJZDBYPB-UHFFFAOYSA-N 0 0 345.874 4.264 50 0 EIAARN Cc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1C ZINC000000359960 563292964 /nfs/dbraw/zinc/29/29/64/563292964.db2.gz ABMAUKFIVHZBGU-UHFFFAOYSA-N 0 0 343.427 4.134 50 0 EIAARN Cc1nnc2sc(-c3ccc(NCc4ccccc4C)cc3)nn12 ZINC000000360604 563293312 /nfs/dbraw/zinc/29/33/12/563293312.db2.gz OOJNAEBTXVLQHF-UHFFFAOYSA-N 0 0 335.436 4.082 50 0 EIAARN O=C(Cc1ccccc1F)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000364358 563295389 /nfs/dbraw/zinc/29/53/89/563295389.db2.gz PDFYMWFEXLZQOH-UHFFFAOYSA-N 0 0 333.362 4.238 50 0 EIAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cc(C)ccn2)c1 ZINC000000364519 563295560 /nfs/dbraw/zinc/29/55/60/563295560.db2.gz ZBJGFXALYJNDIF-UHFFFAOYSA-N 0 0 325.412 4.017 50 0 EIAARN COc1cc(-c2nc3ccccc3s2)cc(Br)c1O ZINC000000366545 563296648 /nfs/dbraw/zinc/29/66/48/563296648.db2.gz WJKABZNHAAESOI-UHFFFAOYSA-N 0 0 336.210 4.440 50 0 EIAARN O=C1C(=CC=Cc2ccccc2)NC(=S)N1c1ccc(Cl)cc1 ZINC000000368385 563297286 /nfs/dbraw/zinc/29/72/86/563297286.db2.gz MUBBJQXPCCQHFL-QSJINSDNSA-N 0 0 340.835 4.158 50 0 EIAARN CC(C)Oc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000000370667 563297375 /nfs/dbraw/zinc/29/73/75/563297375.db2.gz DKQOUYXYBNVCBU-LICLKQGHSA-N 0 0 341.794 4.472 50 0 EIAARN CCOc1ccc2nc(NC(=O)c3cccc(OCC)c3)sc2c1 ZINC000000371640 563297884 /nfs/dbraw/zinc/29/78/84/563297884.db2.gz DWLUNANEWZADDE-UHFFFAOYSA-N 0 0 342.420 4.346 50 0 EIAARN Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000000375726 563298745 /nfs/dbraw/zinc/29/87/45/563298745.db2.gz KOTQUBPAOULJST-HNNXBMFYSA-N 0 0 331.843 4.165 50 0 EIAARN C[C@H]1C[C@@H](NC(=O)c2ccc(Br)s2)CC(C)(C)C1 ZINC000000376614 563299097 /nfs/dbraw/zinc/29/90/97/563299097.db2.gz DFYTWDOEZSZJGX-VHSXEESVSA-N 0 0 330.291 4.455 50 0 EIAARN COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cccc(C)n1 ZINC000000381970 563300025 /nfs/dbraw/zinc/30/00/25/563300025.db2.gz ORWUNGVPEFXEBK-FQEVSTJZSA-N 0 0 345.402 4.170 50 0 EIAARN CC(C)(C)c1ccc(-c2nnc3sc(-c4ccccn4)nn32)cc1 ZINC000000383130 563300646 /nfs/dbraw/zinc/30/06/46/563300646.db2.gz HNYJEFIKVCVIDI-UHFFFAOYSA-N 0 0 335.436 4.212 50 0 EIAARN O=C(Nc1ccc(Cl)cc1C(=O)N1CCCCCC1)c1ccco1 ZINC000000384375 563301309 /nfs/dbraw/zinc/30/13/09/563301309.db2.gz XNEGPUNEJXOJGH-UHFFFAOYSA-N 0 0 346.814 4.202 50 0 EIAARN Clc1ccccc1Cc1nn2c(nnc2-c2ccccc2)s1 ZINC000000385048 563301616 /nfs/dbraw/zinc/30/16/16/563301616.db2.gz CHGRUMCYWACPRM-UHFFFAOYSA-N 0 0 326.812 4.097 50 0 EIAARN Cc1c(C(=O)N(C)c2ccccc2Cl)cnn1-c1ccccc1 ZINC000000385348 563301970 /nfs/dbraw/zinc/30/19/70/563301970.db2.gz XVHANNFKVORIIM-UHFFFAOYSA-N 0 0 325.799 4.111 50 0 EIAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000000386083 563302836 /nfs/dbraw/zinc/30/28/36/563302836.db2.gz RUMIUPSQBSRERS-UHFFFAOYSA-N 0 0 330.796 4.365 50 0 EIAARN O=S(=O)(Nc1ccncc1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000000387194 563303512 /nfs/dbraw/zinc/30/35/12/563303512.db2.gz INQHPCYNYWMARL-UHFFFAOYSA-N 0 0 344.823 4.203 50 0 EIAARN CN(C)C(=O)Oc1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1 ZINC000000387365 563303541 /nfs/dbraw/zinc/30/35/41/563303541.db2.gz PHLZGTFMDLJGLR-UHFFFAOYSA-N 0 0 349.312 4.081 50 0 EIAARN CN(c1ncnc2c1cnn2-c1ccc(Cl)cc1)C1CCCCC1 ZINC000000426413 563310075 /nfs/dbraw/zinc/31/00/75/563310075.db2.gz VZHGIOGHAIPPGW-UHFFFAOYSA-N 0 0 341.846 4.238 50 0 EIAARN Cc1cccc(-n2ncc3c2ncnc3NCc2ccccc2Cl)c1 ZINC000000426468 563310150 /nfs/dbraw/zinc/31/01/50/563310150.db2.gz UDJBGEBQWUPIPF-UHFFFAOYSA-N 0 0 349.825 4.389 50 0 EIAARN O=c1[nH]c(-c2ccc(Br)cc2)cn1-c1ccc(Cl)cc1 ZINC000000426725 563310787 /nfs/dbraw/zinc/31/07/87/563310787.db2.gz XJNUOJNDQOVHHL-UHFFFAOYSA-N 0 0 349.615 4.249 50 0 EIAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccco1 ZINC000000442900 563314769 /nfs/dbraw/zinc/31/47/69/563314769.db2.gz HDHHPKAEGGACQS-UHFFFAOYSA-N 0 0 349.626 4.367 50 0 EIAARN Cc1ccccc1N1CCN(C(=S)c2ccc(Cl)cc2)CC1 ZINC000000443454 563315365 /nfs/dbraw/zinc/31/53/65/563315365.db2.gz ICRHUACNAMFBAF-UHFFFAOYSA-N 0 0 330.884 4.146 50 0 EIAARN COc1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000000445228 563316639 /nfs/dbraw/zinc/31/66/39/563316639.db2.gz DQSNGAVKPWRBCP-VQHVLOKHSA-N 0 0 336.218 4.332 50 0 EIAARN Cc1cc(Br)cc(C)c1NC(=O)C(Cl)(Cl)Cl ZINC000000451121 563320298 /nfs/dbraw/zinc/32/02/98/563320298.db2.gz CUIWAPYVBVOVGQ-UHFFFAOYSA-N 0 0 345.451 4.375 50 0 EIAARN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000000452162 563321044 /nfs/dbraw/zinc/32/10/44/563321044.db2.gz QNOJCRJFQUCFTF-LBPRGKRZSA-N 0 0 330.428 4.466 50 0 EIAARN C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000046151899 563322233 /nfs/dbraw/zinc/32/22/33/563322233.db2.gz KPJUWFOQXSJFBQ-ZDUSSCGKSA-N 0 0 345.395 4.157 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1Br ZINC000000453813 563322252 /nfs/dbraw/zinc/32/22/52/563322252.db2.gz XNHZDWLFUCUSDO-ZDUSSCGKSA-N 0 0 332.241 4.200 50 0 EIAARN CC(=O)N(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000456524 563324240 /nfs/dbraw/zinc/32/42/40/563324240.db2.gz VNTNXMCVRXASPE-UHFFFAOYSA-N 0 0 337.206 4.228 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 ZINC000000461507 563326722 /nfs/dbraw/zinc/32/67/22/563326722.db2.gz GMYORGALUUEILQ-UHFFFAOYSA-N 0 0 338.285 4.121 50 0 EIAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000463468 563327402 /nfs/dbraw/zinc/32/74/02/563327402.db2.gz KBQLUYUDNMUBRO-HNNXBMFYSA-N 0 0 331.437 4.042 50 0 EIAARN O=c1ccc2ccc(OCc3ccc(Br)cc3F)cc2o1 ZINC000000464051 563327967 /nfs/dbraw/zinc/32/79/67/563327967.db2.gz SJGJEZKRKYWJAN-UHFFFAOYSA-N 0 0 349.155 4.274 50 0 biogenic EIAARN O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC000000464401 563328083 /nfs/dbraw/zinc/32/80/83/563328083.db2.gz FVZWIHQXSNKCQW-UHFFFAOYSA-N 0 0 348.733 4.079 50 0 EIAARN CC(C)NC(=O)c1cccc(COc2ccccc2Br)c1 ZINC000000468171 563329615 /nfs/dbraw/zinc/32/96/15/563329615.db2.gz YIJXTYUOWAWETF-UHFFFAOYSA-N 0 0 348.240 4.166 50 0 EIAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000000469187 563330213 /nfs/dbraw/zinc/33/02/13/563330213.db2.gz UAZQNSLPYNHMHZ-UHFFFAOYSA-N 0 0 340.398 4.141 50 0 EIAARN C[C@H]1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)s1 ZINC000000469700 563330247 /nfs/dbraw/zinc/33/02/47/563330247.db2.gz QFOUOWKUVBUCIE-VIFPVBQESA-N 0 0 345.848 4.071 50 0 EIAARN Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(Cl)cc1Cl ZINC000000472403 563332149 /nfs/dbraw/zinc/33/21/49/563332149.db2.gz VKRRPZUTZRBGID-UHFFFAOYSA-N 0 0 336.284 4.255 50 0 EIAARN CC(C)Cc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000000473170 563332600 /nfs/dbraw/zinc/33/26/00/563332600.db2.gz UZIKBQSCOUCYID-UHFFFAOYSA-N 0 0 330.240 4.296 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000000475995 563334178 /nfs/dbraw/zinc/33/41/78/563334178.db2.gz ZSMRCDPTDNUBDG-JTQLQIEISA-N 0 0 325.742 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ZINC000002877769 563460122 /nfs/dbraw/zinc/46/01/22/563460122.db2.gz CHOHCEITGWKYRK-UHFFFAOYSA-N 0 0 346.430 4.132 50 0 EIAARN CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000002876835 563460128 /nfs/dbraw/zinc/46/01/28/563460128.db2.gz BZXYGKHGQPWECA-UHFFFAOYSA-N 0 0 342.464 4.189 50 0 EIAARN O=c1oc(-c2cccc(Br)c2)nc2cc(Cl)ccc12 ZINC000002876692 563460165 /nfs/dbraw/zinc/46/01/65/563460165.db2.gz MBQAJJKSHUMHHH-UHFFFAOYSA-N 0 0 336.572 4.271 50 0 EIAARN O=C(NCc1ccco1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000002878035 563460178 /nfs/dbraw/zinc/46/01/78/563460178.db2.gz ITLGLDLDUVUPTN-UHFFFAOYSA-N 0 0 335.281 4.488 50 0 EIAARN CCOc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000002883371 563461473 /nfs/dbraw/zinc/46/14/73/563461473.db2.gz WQGIISNTAWIBMH-UHFFFAOYSA-N 0 0 330.771 4.464 50 0 EIAARN O=c1nc(SC/C=C/c2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000002891769 563462106 /nfs/dbraw/zinc/46/21/06/563462106.db2.gz GUAYWTSKNJMELX-VMPITWQZSA-N 0 0 340.473 4.279 50 0 EIAARN CCOc1ccc(-c2nc(C(=O)N(C)C(C)C)cs2)c(Cl)c1 ZINC000034717480 563464568 /nfs/dbraw/zinc/46/45/68/563464568.db2.gz ZBRKFCXGPJSUFO-UHFFFAOYSA-N 0 0 338.860 4.343 50 0 EIAARN COc1ccc(Cl)cc1S(=O)(=O)Oc1cccc2ccccc21 ZINC000002982387 563465713 /nfs/dbraw/zinc/46/57/13/563465713.db2.gz URSICUZTPNHAFS-UHFFFAOYSA-N 0 0 348.807 4.270 50 0 EIAARN COc1cc(C=O)ccc1OCCCCOc1ccccc1Cl ZINC000002985441 563466845 /nfs/dbraw/zinc/46/68/45/563466845.db2.gz ZCQHOKYPMQLMQW-UHFFFAOYSA-N 0 0 334.799 4.399 50 0 EIAARN Cc1ccc(N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)cc1 ZINC000003009606 563469596 /nfs/dbraw/zinc/46/95/96/563469596.db2.gz GQNOLTSWYIFUIY-UHFFFAOYSA-N 0 0 341.366 4.027 50 0 EIAARN O=C1c2cc(Cl)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000003064248 563470479 /nfs/dbraw/zinc/47/04/79/563470479.db2.gz WSLZDTPFOQFMDU-UHFFFAOYSA-N 0 0 340.593 4.376 50 0 EIAARN CCCCOC(=O)C(C(=O)OCCCC)c1nc2ccccc2s1 ZINC000003107021 563472561 /nfs/dbraw/zinc/47/25/61/563472561.db2.gz QGSHJLCNZLNFRV-UHFFFAOYSA-N 0 0 349.452 4.067 50 0 EIAARN CC(C)(C)N(N)C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003222770 563477356 /nfs/dbraw/zinc/47/73/56/563477356.db2.gz WNWJBQGVERCSLB-UHFFFAOYSA-N 0 0 325.787 4.030 50 0 EIAARN CCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)Cc1ccccc1 ZINC000034794269 563479670 /nfs/dbraw/zinc/47/96/70/563479670.db2.gz AVXVUYSWDRECNS-UHFFFAOYSA-N 0 0 339.826 4.474 50 0 EIAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)C2CCCC2)cc1 ZINC000034795945 563480311 /nfs/dbraw/zinc/48/03/11/563480311.db2.gz QVJUBYUSIXFBPX-UHFFFAOYSA-N 0 0 341.455 4.413 50 0 EIAARN Cc1cc(NC(=O)c2cccc(F)c2)nn1-c1cccc(Cl)c1 ZINC000034907567 563482046 /nfs/dbraw/zinc/48/20/46/563482046.db2.gz GLCLKKVYCCCDRZ-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN Cn1nc(C(=O)NC2CCCCC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902093 563483879 /nfs/dbraw/zinc/48/38/79/563483879.db2.gz WRVLLOGKAUSCBH-UHFFFAOYSA-N 0 0 339.483 4.447 50 0 EIAARN Cc1nc2ccc(C)cc2n1C1CCN(C(=O)C2CCCC2)CC1 ZINC000034915332 563484235 /nfs/dbraw/zinc/48/42/35/563484235.db2.gz DYHWKWIDMZWGOM-UHFFFAOYSA-N 0 0 325.456 4.007 50 0 EIAARN O=C(Nc1c(-c2cc(F)ccc2F)nc2ccccn21)C1CCCC1 ZINC000034916128 563484654 /nfs/dbraw/zinc/48/46/54/563484654.db2.gz LOEOTRJSFJDPNR-UHFFFAOYSA-N 0 0 341.361 4.408 50 0 EIAARN CCCCC(=O)Nc1c(-c2ccccc2OC)nc2ccc(C)cn21 ZINC000034912717 563484878 /nfs/dbraw/zinc/48/48/78/563484878.db2.gz AHWCIKOHNIFPFM-UHFFFAOYSA-N 0 0 337.423 4.447 50 0 EIAARN COc1cccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)c1 ZINC000003894524 563490481 /nfs/dbraw/zinc/49/04/81/563490481.db2.gz CHCSSKICPPSTFH-UHFFFAOYSA-N 0 0 337.345 4.161 50 0 EIAARN NC(=O)c1ccccc1NC(=O)/C=C/c1cccc(-c2ccccc2)c1 ZINC000071898552 563495987 /nfs/dbraw/zinc/49/59/87/563495987.db2.gz ZJUPGTPFUXTZHQ-BUHFOSPRSA-N 0 0 342.398 4.104 50 0 EIAARN O=c1ccc(-c2cccs2)nn1Cc1cccc(C(F)(F)F)c1 ZINC000005388090 563530710 /nfs/dbraw/zinc/53/07/10/563530710.db2.gz FHNHWFDBHKIRGU-UHFFFAOYSA-N 0 0 336.338 4.039 50 0 EIAARN O=c1ccc(-c2ccc(F)cc2)nn1Cc1cccc(C(F)(F)F)c1 ZINC000005399494 563531237 /nfs/dbraw/zinc/53/12/37/563531237.db2.gz IQSIRMOZQJUQRM-UHFFFAOYSA-N 0 0 348.299 4.117 50 0 EIAARN CC(=O)OCc1ccccc1Oc1ccc(Br)cc1F ZINC000005481125 563534623 /nfs/dbraw/zinc/53/46/23/563534623.db2.gz LDUHWRDDQYXVRJ-UHFFFAOYSA-N 0 0 339.160 4.444 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccncc1 ZINC000005636391 563543285 /nfs/dbraw/zinc/54/32/85/563543285.db2.gz ARRLGLCWYFHJIH-WDEREUQCSA-N 0 0 339.222 4.033 50 0 EIAARN O=C(NC1CCCCC1)c1sccc1NC(=O)c1ccccc1 ZINC000005899710 563553586 /nfs/dbraw/zinc/55/35/86/563553586.db2.gz MHUBSKTURHELAU-UHFFFAOYSA-N 0 0 328.437 4.063 50 0 EIAARN C[C@H](Nc1cccc(N2CCCCC2)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000071902575 563555458 /nfs/dbraw/zinc/55/54/58/563555458.db2.gz CHCLWXBEXXBVET-HNNXBMFYSA-N 0 0 348.450 4.087 50 0 EIAARN O=P(N=c1[nH]ccs1)(N=c1[nH]ccs1)Oc1ccccc1 ZINC000005947484 563555465 /nfs/dbraw/zinc/55/54/65/563555465.db2.gz LTMUYKVESYHEOY-UHFFFAOYSA-N 0 0 338.354 4.311 50 0 EIAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cnn(Cc2ccccc2)c1 ZINC000006240455 563562359 /nfs/dbraw/zinc/56/23/59/563562359.db2.gz GNRZDUZNHZQNDL-UHFFFAOYSA-N 0 0 349.478 4.476 50 0 EIAARN O=C1C[C@@H]2Sc3ccccc3N=C2N1Cc1ccc(Cl)cc1 ZINC000006243609 563562363 /nfs/dbraw/zinc/56/23/63/563562363.db2.gz WHESWBBCMQMRIR-HNNXBMFYSA-N 0 0 328.824 4.277 50 0 EIAARN CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OCC)c1OCC ZINC000006328717 563565222 /nfs/dbraw/zinc/56/52/22/563565222.db2.gz TVOLYDLSHNAQBN-GOEBONIOSA-N 0 0 349.471 4.191 50 0 EIAARN CCCCNC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000071909609 563575088 /nfs/dbraw/zinc/57/50/88/563575088.db2.gz BHJYUJFSDFNIQL-DEOSSOPVSA-N 0 0 344.480 4.057 50 0 EIAARN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCCCCC2)c1 ZINC000071909600 563575171 /nfs/dbraw/zinc/57/51/71/563575171.db2.gz CRZJYGCVWFKRAL-QHCPKHFHSA-N 0 0 336.501 4.142 50 0 EIAARN C[C@H](c1ccccn1)N(C)C(=O)CCCC(=O)c1ccc(Cl)cc1 ZINC000071909746 563575559 /nfs/dbraw/zinc/57/55/59/563575559.db2.gz HXZQSXUKKIPWIR-CQSZACIVSA-N 0 0 344.842 4.308 50 0 EIAARN Cc1cccc(Oc2ccc(NC(=O)N(C)Cc3cnccn3)cc2)c1 ZINC000071910904 563576628 /nfs/dbraw/zinc/57/66/28/563576628.db2.gz LRSRJWAFRLJFKG-UHFFFAOYSA-N 0 0 348.406 4.241 50 0 EIAARN CC(C)c1c(O)cc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=O ZINC000006666645 563576993 /nfs/dbraw/zinc/57/69/93/563576993.db2.gz SAZMHORTSSQRSC-UHFFFAOYSA-N 0 0 340.810 4.382 50 0 EIAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)CCc1ccccc1 ZINC000006701594 563579790 /nfs/dbraw/zinc/57/97/90/563579790.db2.gz UGLWBFMYYSWLEN-UHFFFAOYSA-N 0 0 347.462 4.428 50 0 EIAARN CC(C)c1ccc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc1 ZINC000006805263 563587219 /nfs/dbraw/zinc/58/72/19/563587219.db2.gz HIMACXWSLDERII-UHFFFAOYSA-N 0 0 347.418 4.205 50 0 EIAARN CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1Cl ZINC000006819399 563587506 /nfs/dbraw/zinc/58/75/06/563587506.db2.gz CJGYRTSDZAVFNM-HNNXBMFYSA-N 0 0 349.858 4.197 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)N2CCSc3ccccc32)cc1 ZINC000006876862 563590646 /nfs/dbraw/zinc/59/06/46/563590646.db2.gz OIHOHTKWOSMKOU-UHFFFAOYSA-N 0 0 342.420 4.008 50 0 EIAARN Cc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 ZINC000002628018 563597161 /nfs/dbraw/zinc/59/71/61/563597161.db2.gz AYFMPDQELOVMCB-UHFFFAOYSA-N 0 0 332.812 4.276 50 0 EIAARN Cc1ccc2oc(=O)n(Cc3ccc(OCCC(C)C)cc3)c2c1 ZINC000002706815 563603156 /nfs/dbraw/zinc/60/31/56/563603156.db2.gz VXLGXFRUYKMLRS-UHFFFAOYSA-N 0 0 325.408 4.376 50 0 EIAARN COc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(C)ccc2O3)c1 ZINC000002716041 563607050 /nfs/dbraw/zinc/60/70/50/563607050.db2.gz IOZXWTVPIGGDDD-UHFFFAOYSA-N 0 0 336.416 4.446 50 0 EIAARN Cc1cc(C)n([C@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000007616295 563607607 /nfs/dbraw/zinc/60/76/07/563607607.db2.gz YZDCNUNTIBOMMV-LLVKDONJSA-N 0 0 326.227 4.397 50 0 EIAARN Cc1nn2c(nc(C)cc2N2CCCC2)c1-c1ccccc1Cl ZINC000007636187 563608253 /nfs/dbraw/zinc/60/82/53/563608253.db2.gz ITVRZWFNTTXNHP-UHFFFAOYSA-N 0 0 326.831 4.267 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002742339 563608619 /nfs/dbraw/zinc/60/86/19/563608619.db2.gz FMOMTHQRUUXMQH-VIFPVBQESA-N 0 0 345.267 4.178 50 0 EIAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1 ZINC000007720356 563612011 /nfs/dbraw/zinc/61/20/11/563612011.db2.gz UFWGPDFVEUUQOB-UHFFFAOYSA-N 0 0 341.798 4.052 50 0 EIAARN CCCCNC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002760091 563612440 /nfs/dbraw/zinc/61/24/40/563612440.db2.gz PQVACQAOXJFJNF-UHFFFAOYSA-N 0 0 348.450 4.139 50 0 EIAARN FC(F)(F)c1cc(C2CC2)c2c(nn3c2nccc3-c2ccco2)n1 ZINC000002788437 563613514 /nfs/dbraw/zinc/61/35/14/563613514.db2.gz XXHXQTWLWFSNBF-UHFFFAOYSA-N 0 0 344.296 4.434 50 0 EIAARN Cc1cccc(-c2nsc(SCC(=O)NC3CCCCC3)n2)c1 ZINC000002917557 563619331 /nfs/dbraw/zinc/61/93/31/563619331.db2.gz BUUANSHNMOQWKC-UHFFFAOYSA-N 0 0 347.509 4.055 50 0 EIAARN Cc1nnc(-c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)o1 ZINC000071916415 563621338 /nfs/dbraw/zinc/62/13/38/563621338.db2.gz YXTCCCFQKYVIIS-UHFFFAOYSA-N 0 0 343.386 4.379 50 0 EIAARN c1ccc(Cc2nn3c(CSc4ccccc4)nnc3s2)cc1 ZINC000008393168 563629302 /nfs/dbraw/zinc/62/93/02/563629302.db2.gz KCBNFTPQLRKFQR-UHFFFAOYSA-N 0 0 338.461 4.069 50 0 EIAARN Cc1ccc(CN[C@@H](C)c2cnc(N3CCCCCCC3)nc2C)o1 ZINC000012594338 563664686 /nfs/dbraw/zinc/66/46/86/563664686.db2.gz YSKFTIPLAZEPJM-INIZCTEOSA-N 0 0 342.487 4.308 50 0 EIAARN CSCC[C@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC000012602092 563665069 /nfs/dbraw/zinc/66/50/69/563665069.db2.gz RZBMQFCJJHVIST-INIZCTEOSA-N 0 0 340.452 4.179 50 0 EIAARN CCc1cc(C(=O)OC)c(NC(=O)Nc2ccc(F)cc2F)s1 ZINC000032610919 563665402 /nfs/dbraw/zinc/66/54/02/563665402.db2.gz HWCFKCOMRQKBHG-UHFFFAOYSA-N 0 0 340.351 4.019 50 0 EIAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000032623612 563669709 /nfs/dbraw/zinc/66/97/09/563669709.db2.gz KOCSSUKLJOMGJN-UHFFFAOYSA-N 0 0 327.771 4.406 50 0 EIAARN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 ZINC000012792072 563671576 /nfs/dbraw/zinc/67/15/76/563671576.db2.gz GNPKKJWREUJYIH-OAHLLOKOSA-N 0 0 325.408 4.166 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000012792462 563671932 /nfs/dbraw/zinc/67/19/32/563671932.db2.gz FOAZGUIWOXRDSL-IBGZPJMESA-N 0 0 338.382 4.293 50 0 EIAARN O=C(c1cccnc1Oc1ccccc1)N1CCc2sccc2C1 ZINC000012792503 563672068 /nfs/dbraw/zinc/67/20/68/563672068.db2.gz BSROIJPZMVCURA-UHFFFAOYSA-N 0 0 336.416 4.134 50 0 EIAARN O=C(Cc1nc(-c2ccc3c(c2)CCC3)cs1)NCc1ccccc1 ZINC000012799145 563673417 /nfs/dbraw/zinc/67/34/17/563673417.db2.gz KPEIMSQLZKJMSX-UHFFFAOYSA-N 0 0 348.471 4.158 50 0 EIAARN COc1ccc(-c2nc(C)c(C(=O)NCC3CCCCC3)s2)cc1 ZINC000012800894 563673809 /nfs/dbraw/zinc/67/38/09/563673809.db2.gz HYQASPLWGSTJAM-UHFFFAOYSA-N 0 0 344.480 4.437 50 0 EIAARN CCc1ccccc1NC(=O)c1ccccc1OC[C@H]1CCCO1 ZINC000012803326 563674059 /nfs/dbraw/zinc/67/40/59/563674059.db2.gz GBYOZJMDCDEAAF-MRXNPFEDSA-N 0 0 325.408 4.059 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000012865079 563675999 /nfs/dbraw/zinc/67/59/99/563675999.db2.gz PJKVSXFPDVJJMZ-HNNXBMFYSA-N 0 0 344.499 4.423 50 0 EIAARN Cc1c2oc(=O)c3c(c2cc2c1OC1(CCCCC1)C[C@H]2O)CCC3 ZINC000012892894 563676330 /nfs/dbraw/zinc/67/63/30/563676330.db2.gz IEBAMPNFBMIYQO-QGZVFWFLSA-N 0 0 340.419 4.109 50 0 biogenic EIAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCC1CCCCC1 ZINC000032648666 563676452 /nfs/dbraw/zinc/67/64/52/563676452.db2.gz ZPXKUCMLDRFNSC-UHFFFAOYSA-N 0 0 346.471 4.492 50 0 EIAARN O=C(c1ccccc1O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012937737 563677760 /nfs/dbraw/zinc/67/77/60/563677760.db2.gz PZTCFZKSZYQDSI-UHFFFAOYSA-N 0 0 338.432 4.022 50 0 EIAARN CCOc1ccccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000012946284 563678569 /nfs/dbraw/zinc/67/85/69/563678569.db2.gz PIBQJZCNWSORCT-AWEZNQCLSA-N 0 0 339.391 4.088 50 0 EIAARN COc1ccccc1COC(=O)c1ccc(COc2ccccc2)o1 ZINC000012967491 563678978 /nfs/dbraw/zinc/67/89/78/563678978.db2.gz WXEGYIXEWAEYMT-UHFFFAOYSA-N 0 0 338.359 4.224 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C)c(F)c1 ZINC000012994685 563683060 /nfs/dbraw/zinc/68/30/60/563683060.db2.gz HVIOALUEIMPQKT-UHFFFAOYSA-N 0 0 327.384 4.213 50 0 EIAARN CC(C)(C)c1ccccc1NC(=O)CCCNC(=O)c1ccsc1 ZINC000012995347 563683376 /nfs/dbraw/zinc/68/33/76/563683376.db2.gz ASNMTIXKKGGSBD-UHFFFAOYSA-N 0 0 344.480 4.194 50 0 EIAARN COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)cc1 ZINC000013002492 563684739 /nfs/dbraw/zinc/68/47/39/563684739.db2.gz FCRLXAOAFMUYCJ-ZDUSSCGKSA-N 0 0 338.432 4.310 50 0 EIAARN CC(C)c1ccc(N2C[C@@H](c3nc(-c4ccccc4)no3)CC2=O)cc1 ZINC000013036976 563686017 /nfs/dbraw/zinc/68/60/17/563686017.db2.gz FIHSEIUBUSXSCL-KRWDZBQOSA-N 0 0 347.418 4.381 50 0 EIAARN CCCCNc1ncnc2c1oc1nc(C)c3c(c12)CC(C)(C)OC3 ZINC000013207074 563691989 /nfs/dbraw/zinc/69/19/89/563691989.db2.gz VSIQFZPGRRAZGE-UHFFFAOYSA-N 0 0 340.427 4.143 50 0 EIAARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1Cl ZINC000013284265 563693808 /nfs/dbraw/zinc/69/38/08/563693808.db2.gz ZBRRZZZGVWNLRK-SECBINFHSA-N 0 0 349.818 4.475 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1c(F)cccc1Cl ZINC000013325381 563694549 /nfs/dbraw/zinc/69/45/49/563694549.db2.gz XOJDMBIFSZYHRM-UHFFFAOYSA-N 0 0 341.791 4.196 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013325811 563694945 /nfs/dbraw/zinc/69/49/45/563694945.db2.gz BTGMFPDVMIXQTJ-UHFFFAOYSA-N 0 0 332.709 4.470 50 0 EIAARN O=C1C[C@H](c2ccccc2)Cc2nc(Nc3ccc(F)cc3)ncc21 ZINC000013369953 563697072 /nfs/dbraw/zinc/69/70/72/563697072.db2.gz XLVOZQLTJWGIET-CQSZACIVSA-N 0 0 333.366 4.272 50 0 EIAARN C[C@H](CCc1ccco1)NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000032716954 563698439 /nfs/dbraw/zinc/69/84/39/563698439.db2.gz HTPYVQYCVLYUIH-CYBMUJFWSA-N 0 0 333.815 4.033 50 0 EIAARN O=C(NCCOc1ccccc1F)c1ccc(-c2ccc(F)cc2)o1 ZINC000032717174 563699555 /nfs/dbraw/zinc/69/95/55/563699555.db2.gz DXPNEZIMNFZFLY-UHFFFAOYSA-N 0 0 343.329 4.034 50 0 EIAARN COc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cn1 ZINC000013496751 563699773 /nfs/dbraw/zinc/69/97/73/563699773.db2.gz MQIHFVYPNFRVHC-UHFFFAOYSA-N 0 0 328.224 4.206 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(CCc3ccccc3)s2)cc1 ZINC000013570370 563702109 /nfs/dbraw/zinc/70/21/09/563702109.db2.gz PQVMXWNQHDUGMP-UHFFFAOYSA-N 0 0 338.436 4.276 50 0 EIAARN 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Fc1ccc(N2CCN(C/C(Cl)=C/c3ccccc3)CC2)cc1 ZINC000023282042 563866527 /nfs/dbraw/zinc/86/65/27/563866527.db2.gz XHLBWEGLRDDXID-VKAVYKQESA-N 0 0 330.834 4.228 50 0 EIAARN CC(=O)c1ccc(N2CCN([C@@H](C)c3ccc(F)cc3)CC2)c(F)c1 ZINC000023703079 563867147 /nfs/dbraw/zinc/86/71/47/563867147.db2.gz JBXFAAPVPBGOAM-AWEZNQCLSA-N 0 0 344.405 4.051 50 0 EIAARN CCc1cc2c(ncnc2NCCCc2nc3ccccc3[nH]2)s1 ZINC000024060039 563868668 /nfs/dbraw/zinc/86/86/68/563868668.db2.gz QBZIDDMSKVGOJF-UHFFFAOYSA-N 0 0 337.452 4.175 50 0 EIAARN COCc1c2ccccc2oc1C(=O)NCCCOC1CCCCC1 ZINC000024480764 563872010 /nfs/dbraw/zinc/87/20/10/563872010.db2.gz IIYPCXNOLBQRPT-UHFFFAOYSA-N 0 0 345.439 4.048 50 0 EIAARN Cc1c(C(=O)Nc2ccncc2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000024833614 563876264 /nfs/dbraw/zinc/87/62/64/563876264.db2.gz ONQNYJGBJKUQML-UHFFFAOYSA-N 0 0 340.452 4.253 50 0 EIAARN COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1OC1CCCC1 ZINC000024929384 563877884 /nfs/dbraw/zinc/87/78/84/563877884.db2.gz WLBTZJFGZSFBAF-UHFFFAOYSA-N 0 0 343.398 4.337 50 0 EIAARN CC(C)(C)OC(=O)N1CCCc2cc(Br)c(F)cc21 ZINC000584880010 563878904 /nfs/dbraw/zinc/87/89/04/563878904.db2.gz VHVXBKHQCWZFMQ-UHFFFAOYSA-N 0 0 330.197 4.276 50 0 EIAARN CCN(C(=O)COc1ccccc1)c1nc2cc(Cl)ccc2s1 ZINC000024992930 563879417 /nfs/dbraw/zinc/87/94/17/563879417.db2.gz YHHHFVGOEHDPEO-UHFFFAOYSA-N 0 0 346.839 4.382 50 0 EIAARN CN(C(=O)CSc1nc(C2CC2)nc2ccccc21)C1=CCCC1 ZINC000025045907 563880295 /nfs/dbraw/zinc/88/02/95/563880295.db2.gz SOMIFDGRCWAIEN-UHFFFAOYSA-N 0 0 339.464 4.126 50 0 EIAARN O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)c(F)cc1Cl ZINC000025060476 563880485 /nfs/dbraw/zinc/88/04/85/563880485.db2.gz BSOPOXJDYVOOHC-UFBFGSQYSA-N 0 0 341.707 4.469 50 0 EIAARN O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)c(F)cc1Cl ZINC000025060493 563880611 /nfs/dbraw/zinc/88/06/11/563880611.db2.gz BSOPOXJDYVOOHC-PELKAZGASA-N 0 0 341.707 4.469 50 0 EIAARN Cc1ccccc1CCNC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000043478224 563881528 /nfs/dbraw/zinc/88/15/28/563881528.db2.gz SSSCOKJIBYZMHB-HXUWFJFHSA-N 0 0 337.467 4.259 50 0 EIAARN CCn1cnnc1-c1cccc(NC(=O)c2ccc(F)cc2Cl)c1 ZINC000025286992 563882929 /nfs/dbraw/zinc/88/29/29/563882929.db2.gz HOKIJXYJWVPTDY-UHFFFAOYSA-N 0 0 344.777 4.010 50 0 EIAARN Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025538011 563885775 /nfs/dbraw/zinc/88/57/75/563885775.db2.gz BVAHDIIWEQBMLF-HXUWFJFHSA-N 0 0 349.409 4.297 50 0 EIAARN Cc1cc(=O)oc(C)c1C(=O)OCc1sc2ccccc2c1Cl ZINC000026017277 563889612 /nfs/dbraw/zinc/88/96/12/563889612.db2.gz MXORFFQHDQEQKC-UHFFFAOYSA-N 0 0 348.807 4.482 50 0 EIAARN C[C@@H](NC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1ccccn1 ZINC000026184225 563890234 /nfs/dbraw/zinc/89/02/34/563890234.db2.gz VUBBMOLOCAQSIO-ABAIWWIYSA-N 0 0 347.871 4.332 50 0 EIAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2C)c1 ZINC000026379268 563891025 /nfs/dbraw/zinc/89/10/25/563891025.db2.gz WKZUOJZEVLTDAD-HUUCEWRRSA-N 0 0 339.439 4.075 50 0 EIAARN CN(Cc1ccccc1)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000026520594 563892163 /nfs/dbraw/zinc/89/21/63/563892163.db2.gz 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/nfs/dbraw/zinc/89/88/50/563898850.db2.gz YEDKZUSNUKYKEE-OAHLLOKOSA-N 0 0 336.391 4.364 50 0 EIAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(-c3ccccc3)no2)c1 ZINC000027740212 563899028 /nfs/dbraw/zinc/89/90/28/563899028.db2.gz SATQFJCISSIVCJ-OAHLLOKOSA-N 0 0 336.391 4.364 50 0 EIAARN COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2F)cc1 ZINC000027795707 563899737 /nfs/dbraw/zinc/89/97/37/563899737.db2.gz FLBKWNCKMWBPHE-UHFFFAOYSA-N 0 0 325.339 4.274 50 0 EIAARN Cc1nc(CCNC(=O)c2oc3cc(C)c(Cl)cc3c2C)cs1 ZINC000027991695 563900887 /nfs/dbraw/zinc/90/08/87/563900887.db2.gz WGAFYHAKQMUUHE-UHFFFAOYSA-N 0 0 348.855 4.440 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000028199692 563901743 /nfs/dbraw/zinc/90/17/43/563901743.db2.gz AXUSPFMWYLPGAG-ZIAGYGMSSA-N 0 0 332.444 4.152 50 0 EIAARN CCCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1 ZINC000028292902 563902271 /nfs/dbraw/zinc/90/22/71/563902271.db2.gz QKZFGBGPFOTDAB-UHFFFAOYSA-N 0 0 349.434 4.281 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)NCc1csc(-c2ccsc2)n1 ZINC000072274491 563902595 /nfs/dbraw/zinc/90/25/95/563902595.db2.gz UARKUBBMAPKRPY-SNVBAGLBSA-N 0 0 332.498 4.073 50 0 EIAARN Cc1ccccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1 ZINC000032958398 563903089 /nfs/dbraw/zinc/90/30/89/563903089.db2.gz NBYRWPZOBOOCFU-UHFFFAOYSA-N 0 0 346.434 4.181 50 0 EIAARN CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2 ZINC000028871472 563904450 /nfs/dbraw/zinc/90/44/50/563904450.db2.gz OHIFLIAJJQBKAS-AWEZNQCLSA-N 0 0 340.423 4.020 50 0 EIAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)N1CCC(C)CC1 ZINC000029108584 563904976 /nfs/dbraw/zinc/90/49/76/563904976.db2.gz CXGFQKSROKGMMB-UHFFFAOYSA-N 0 0 347.509 4.108 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2csc(-c3ccsc3)n2)c1 ZINC000029633256 563907613 /nfs/dbraw/zinc/90/76/13/563907613.db2.gz UKMHTCXCIXSDIU-UHFFFAOYSA-N 0 0 346.433 4.141 50 0 EIAARN C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1ccc(F)c(F)c1 ZINC000029677196 563907798 /nfs/dbraw/zinc/90/77/98/563907798.db2.gz KVCCQCVIVUXGJV-SNVBAGLBSA-N 0 0 347.390 4.135 50 0 EIAARN CC(C)n1c(CNC(=O)c2c(F)cccc2Cl)nc2ccccc21 ZINC000072288878 563908522 /nfs/dbraw/zinc/90/85/22/563908522.db2.gz JRANGYGYFQMLBP-UHFFFAOYSA-N 0 0 345.805 4.340 50 0 EIAARN Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cn1 ZINC000029841003 563908701 /nfs/dbraw/zinc/90/87/01/563908701.db2.gz XMJGHZMTYDNCQQ-OAQYLSRUSA-N 0 0 328.415 4.178 50 0 EIAARN CCCc1noc(CCC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)n1 ZINC000072291602 563909002 /nfs/dbraw/zinc/90/90/02/563909002.db2.gz NFGZLHNAAOPFLP-OAHLLOKOSA-N 0 0 345.443 4.000 50 0 EIAARN c1coc(-c2noc(CNC(c3ccccc3)c3ccccc3)n2)c1 ZINC000029975028 563909053 /nfs/dbraw/zinc/90/90/53/563909053.db2.gz CEPMUTKNVIKBPO-UHFFFAOYSA-N 0 0 331.375 4.209 50 0 EIAARN COc1cc(OC)c(NC(=O)c2cc(C)n(C3CC3)c2C)cc1Cl ZINC000030061160 563909472 /nfs/dbraw/zinc/90/94/72/563909472.db2.gz XPYIQUUVDOMCBK-UHFFFAOYSA-N 0 0 348.830 4.363 50 0 EIAARN CCN(c1ccc(NC(=O)c2cn3c(cccc3C)n2)cc1)C(C)C ZINC000030675408 563910191 /nfs/dbraw/zinc/91/01/91/563910191.db2.gz HMKFKWOUGLIIKH-UHFFFAOYSA-N 0 0 336.439 4.130 50 0 EIAARN COc1cc(-c2nnc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC ZINC000030824067 563910803 /nfs/dbraw/zinc/91/08/03/563910803.db2.gz GIZGLIZZDWNOKJ-UHFFFAOYSA-N 0 0 346.770 4.083 50 0 EIAARN Cc1c(C(=O)N2C[C@H](C)CCC[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000072295435 563912060 /nfs/dbraw/zinc/91/20/60/563912060.db2.gz DDGCWOKATKYXEN-MNOVXSKESA-N 0 0 331.485 4.267 50 0 EIAARN Cc1csc([C@H]2CCCN(C(=O)C[C@H]3CCc4ccccc43)C2)n1 ZINC000072298872 563912393 /nfs/dbraw/zinc/91/23/93/563912393.db2.gz KSVIDYQIJMQRSX-SJORKVTESA-N 0 0 340.492 4.278 50 0 EIAARN Cc1cnn(CC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c1 ZINC000071185821 563913984 /nfs/dbraw/zinc/91/39/84/563913984.db2.gz RQVDLPLKWXZWIK-INIZCTEOSA-N 0 0 334.423 4.003 50 0 EIAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(C2CCCCC2)no1 ZINC000033269841 563915430 /nfs/dbraw/zinc/91/54/30/563915430.db2.gz ABUIXBNSBRCOTK-INIZCTEOSA-N 0 0 343.427 4.304 50 0 EIAARN CC(C)CNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258002 563915440 /nfs/dbraw/zinc/91/54/40/563915440.db2.gz BBEZZQKWVCYZKQ-UHFFFAOYSA-N 0 0 346.434 4.273 50 0 EIAARN O=C1c2ccccc2C(=O)N1CC[C@@H](c1ccco1)c1ccccc1 ZINC000002845934 563916873 /nfs/dbraw/zinc/91/68/73/563916873.db2.gz YPKZONTUWJSOQS-MRXNPFEDSA-N 0 0 331.371 4.098 50 0 EIAARN FC(F)(F)c1cccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1 ZINC000000217293 563917131 /nfs/dbraw/zinc/91/71/31/563917131.db2.gz KCAFLEYPLCJAJW-UHFFFAOYSA-N 0 0 334.253 4.151 50 0 EIAARN COc1cc(C=O)cc2c1O[C@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000000238051 563917133 /nfs/dbraw/zinc/91/71/33/563917133.db2.gz SOSWXHDRHCWCDK-NRFANRHFSA-N 0 0 335.403 4.037 50 0 EIAARN COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000000297117 563917225 /nfs/dbraw/zinc/91/72/25/563917225.db2.gz COFVOSVXAOKFIF-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN CC(C)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000002862163 563917719 /nfs/dbraw/zinc/91/77/19/563917719.db2.gz GZJADIFHWXTIIX-KRWDZBQOSA-N 0 0 340.448 4.252 50 0 EIAARN COc1ccc(OCCCCCOc2ncnc3ccccc32)cc1 ZINC000022079087 563918425 /nfs/dbraw/zinc/91/84/25/563918425.db2.gz LCFASVNYTCKLAP-UHFFFAOYSA-N 0 0 338.407 4.267 50 0 EIAARN CC[C@H](NC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C)c1ccc(OC)cc1 ZINC000034884136 563919897 /nfs/dbraw/zinc/91/98/97/563919897.db2.gz PLQXICAWNYECQA-NJSLBKSFSA-N 0 0 339.435 4.461 50 0 EIAARN O=C1CC(c2ccc(Cl)cc2)CC(=O)N1c1ccc(F)cc1F ZINC000032985377 563920691 /nfs/dbraw/zinc/92/06/91/563920691.db2.gz YELLEOIZKSGGRZ-UHFFFAOYSA-N 0 0 335.737 4.055 50 0 EIAARN O=C(COc1cc(-c2ccccc2)nc2ccccc21)NC1CCCC1 ZINC000032985655 563920707 /nfs/dbraw/zinc/92/07/07/563920707.db2.gz UCSHGQQZAKUMIP-UHFFFAOYSA-N 0 0 346.430 4.339 50 0 EIAARN Fc1cccc(-n2ccc(COc3ccccc3Br)n2)c1 ZINC000060278593 563920745 /nfs/dbraw/zinc/92/07/45/563920745.db2.gz QVZDQFNHJYFVRW-UHFFFAOYSA-N 0 0 347.187 4.353 50 0 EIAARN C[C@H]1CCCN(C(=O)c2nc3ccccn3c2-c2ccc(F)cc2)C1 ZINC000097939355 563924000 /nfs/dbraw/zinc/92/40/00/563924000.db2.gz KXXYZNGYQZTNBP-AWEZNQCLSA-N 0 0 337.398 4.013 50 0 EIAARN CCOC(=O)CCCCCCC(=O)c1ccc(Cl)cc1OC ZINC000043214378 563925504 /nfs/dbraw/zinc/92/55/04/563925504.db2.gz YWFWEANWFJQWPR-UHFFFAOYSA-N 0 0 326.820 4.435 50 0 EIAARN O=C(CCc1ccccc1F)Nc1ccc(Cc2ccncc2)cc1 ZINC000047340880 563929780 /nfs/dbraw/zinc/92/97/80/563929780.db2.gz IBSHGZKAFDCLJV-UHFFFAOYSA-N 0 0 334.394 4.383 50 0 EIAARN C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H]1c1ccsc1 ZINC000071904286 563931816 /nfs/dbraw/zinc/93/18/16/563931816.db2.gz JNXFHXBIGYBAHO-IUODEOHRSA-N 0 0 326.425 4.091 50 0 EIAARN Cc1ccc2c(c1)-c1c(cnc3cc(-c4ccc(F)cc4)nn31)CO2 ZINC000013828333 563935100 /nfs/dbraw/zinc/93/51/00/563935100.db2.gz JLLZJXRWQXJHJU-UHFFFAOYSA-N 0 0 331.350 4.403 50 0 EIAARN Cc1ccc(-c2ocnc2C(=O)NCCCc2ccccc2)s1 ZINC000033049108 563935385 /nfs/dbraw/zinc/93/53/85/563935385.db2.gz QQCJVEFHLADARZ-UHFFFAOYSA-N 0 0 326.421 4.074 50 0 EIAARN Cc1n[nH]cc1CCCNC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000058014502 563936617 /nfs/dbraw/zinc/93/66/17/563936617.db2.gz GTJZDDBMBVDRLI-UHFFFAOYSA-N 0 0 334.423 4.139 50 0 EIAARN CCCc1nc(C)c(C(=O)Nc2ccc3oc(CC)nc3c2)s1 ZINC000058114922 563937539 /nfs/dbraw/zinc/93/75/39/563937539.db2.gz OVHCHMDEQOVZOZ-UHFFFAOYSA-N 0 0 329.425 4.360 50 0 EIAARN CS[C@H](C)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000058184772 563939267 /nfs/dbraw/zinc/93/92/67/563939267.db2.gz GKBPIWYSHDKJAZ-SJKOYZFVSA-N 0 0 335.419 4.116 50 0 EIAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000058198015 563939555 /nfs/dbraw/zinc/93/95/55/563939555.db2.gz PBCDUTCQPZBBHU-AWEZNQCLSA-N 0 0 347.418 4.252 50 0 EIAARN C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000058222750 563940165 /nfs/dbraw/zinc/94/01/65/563940165.db2.gz YLWREEXYJAYJAH-IFXJQAMLSA-N 0 0 327.399 4.389 50 0 EIAARN Cc1c(NC(=O)C[C@H](C)c2ccc(F)cc2)n[nH]c1-c1ccncc1 ZINC000058228046 563940484 /nfs/dbraw/zinc/94/04/84/563940484.db2.gz DVYMVHGPUAREMX-LBPRGKRZSA-N 0 0 338.386 4.052 50 0 EIAARN CCn1cc(NC(=O)NC(CC)(CC)c2ccc(Cl)cc2)cn1 ZINC000058299376 563941993 /nfs/dbraw/zinc/94/19/93/563941993.db2.gz HBAJCFDHKXKVJP-UHFFFAOYSA-N 0 0 334.851 4.393 50 0 EIAARN CC[C@H](C)Sc1ccc(NC(=O)[C@H]2CCCN(C(C)=O)C2)c(C)c1 ZINC000058326060 563942558 /nfs/dbraw/zinc/94/25/58/563942558.db2.gz XFLKQYUVWWACSP-HOCLYGCPSA-N 0 0 348.512 4.083 50 0 EIAARN CC(C)(NC(=O)Nc1cccc2cnccc21)c1ccc2c(c1)OCO2 ZINC000058342543 563942998 /nfs/dbraw/zinc/94/29/98/563942998.db2.gz VELBAQIHQQTBMV-UHFFFAOYSA-N 0 0 349.390 4.020 50 0 EIAARN CN(CCOc1ccccc1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000058345246 563943192 /nfs/dbraw/zinc/94/31/92/563943192.db2.gz ZRZJYDBYYGIYHB-UHFFFAOYSA-N 0 0 344.414 4.472 50 0 EIAARN CCOc1ccc(OC(=O)/C=C/c2c(Cl)nc3sccn23)cc1 ZINC000058377469 563944189 /nfs/dbraw/zinc/94/41/89/563944189.db2.gz XEVCEGBMFKNDKJ-BQYQJAHWSA-N 0 0 348.811 4.067 50 0 EIAARN CC(C)n1ncc(C(=O)NC[C@@H](C)c2ccccc2)c1C(F)(F)F ZINC000058392893 563944660 /nfs/dbraw/zinc/94/46/60/563944660.db2.gz GBFPPPQCSCDZJN-GFCCVEGCSA-N 0 0 339.361 4.016 50 0 EIAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC1CCC1 ZINC000058394178 563944866 /nfs/dbraw/zinc/94/48/66/563944866.db2.gz XQIAEZGULOACDO-UHFFFAOYSA-N 0 0 328.359 4.153 50 0 EIAARN O=C(NCCc1ccccc1C(F)(F)F)c1ccc2ccccc2n1 ZINC000058414747 563945440 /nfs/dbraw/zinc/94/54/40/563945440.db2.gz UWWGZELGVIHRCP-UHFFFAOYSA-N 0 0 344.336 4.226 50 0 EIAARN O=C(OC[C@@H]1CCCO1)c1cc(-c2cccs2)nc2ccccc21 ZINC000058792036 563947247 /nfs/dbraw/zinc/94/72/47/563947247.db2.gz JHLDSQLYXQJRPE-ZDUSSCGKSA-N 0 0 339.416 4.299 50 0 EIAARN CC(C)c1nnc(NC(=O)N(C)[C@@H]2CCCc3ccccc32)s1 ZINC000043696249 563947409 /nfs/dbraw/zinc/94/74/09/563947409.db2.gz KTBNSMDCMJZYRF-CQSZACIVSA-N 0 0 330.457 4.203 50 0 EIAARN FC(F)(F)c1cccc(CN(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000060039414 563949487 /nfs/dbraw/zinc/94/94/87/563949487.db2.gz MXLGLWYBRIRLJQ-QGZVFWFLSA-N 0 0 339.357 4.480 50 0 EIAARN CCCCC[C@H](C)NC(=O)CCNc1cc(Cl)ccc1OC ZINC000060166775 563949780 /nfs/dbraw/zinc/94/97/80/563949780.db2.gz HGXVJMFEKNTSEE-ZDUSSCGKSA-N 0 0 326.868 4.236 50 0 EIAARN C[C@H]1SCCN(Cc2nnc(-c3ccco3)o2)[C@H]1c1ccccc1 ZINC000096411491 563950570 /nfs/dbraw/zinc/95/05/70/563950570.db2.gz CKVKMXUGIBCJGF-CXAGYDPISA-N 0 0 341.436 4.008 50 0 EIAARN COc1ccc(-c2c3cc(Cl)ccc3[nH]c(=O)c2C(C)=O)cc1 ZINC000061957972 563951455 /nfs/dbraw/zinc/95/14/55/563951455.db2.gz APNGTHGDDCHQDH-UHFFFAOYSA-N 0 0 327.767 4.060 50 0 EIAARN CS(=O)(=O)Cc1ccccc1NCc1cc(Cl)ccc1Cl ZINC000096427474 563952290 /nfs/dbraw/zinc/95/22/90/563952290.db2.gz ALUBRFJMSXCYAL-UHFFFAOYSA-N 0 0 344.263 4.150 50 0 EIAARN CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C(C)=O)c2)s1 ZINC000096433688 563952858 /nfs/dbraw/zinc/95/28/58/563952858.db2.gz RPVWTOPBKHMNHY-LBPRGKRZSA-N 0 0 345.468 4.441 50 0 EIAARN Cc1cc(NC(=O)NCCC(F)(F)F)ccc1Oc1cccnc1 ZINC000096434311 563953013 /nfs/dbraw/zinc/95/30/13/563953013.db2.gz FGWBKCWCVYOYMP-UHFFFAOYSA-N 0 0 339.317 4.256 50 0 EIAARN CC(=O)Nc1cccc2c1CCN([C@H](C)c1ncc(C(C)(C)C)o1)C2 ZINC000096447035 563953374 /nfs/dbraw/zinc/95/33/74/563953374.db2.gz ZYMDZKSEGZQNIV-CYBMUJFWSA-N 0 0 341.455 4.050 50 0 EIAARN C[C@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1ccncc1 ZINC000096466961 563954262 /nfs/dbraw/zinc/95/42/62/563954262.db2.gz DYVOLKWLEFEFHT-AWEZNQCLSA-N 0 0 327.403 4.046 50 0 EIAARN CCCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000096471188 563954571 /nfs/dbraw/zinc/95/45/71/563954571.db2.gz AGRZHGFGIRNRTP-OAHLLOKOSA-N 0 0 346.406 4.097 50 0 EIAARN CCCCNC(=O)c1sc2ncccc2c1-n1c(C)ccc1C ZINC000033059960 563954678 /nfs/dbraw/zinc/95/46/78/563954678.db2.gz BIFGVBOPCVCVQM-UHFFFAOYSA-N 0 0 327.453 4.234 50 0 EIAARN C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCSCC1 ZINC000096473556 563954738 /nfs/dbraw/zinc/95/47/38/563954738.db2.gz PPHYQECSUDDGNK-VIFPVBQESA-N 0 0 344.267 4.153 50 0 EIAARN CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 ZINC000033065727 563955289 /nfs/dbraw/zinc/95/52/89/563955289.db2.gz OJTPAPYKZJCTQG-UHFFFAOYSA-N 0 0 346.839 4.199 50 0 EIAARN CCc1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1 ZINC000064658162 563956965 /nfs/dbraw/zinc/95/69/65/563956965.db2.gz VWUUQARWVZEWDW-UHFFFAOYSA-N 0 0 327.453 4.405 50 0 EIAARN COc1cc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc(OC)c1 ZINC000064667122 563956992 /nfs/dbraw/zinc/95/69/92/563956992.db2.gz KZFCWYMCDANYCH-SFHVURJKSA-N 0 0 330.428 4.152 50 0 EIAARN Cc1cccc([C@H]2CCCCCN2S(=O)(=O)Cc2ccccc2)c1 ZINC000064984041 563957408 /nfs/dbraw/zinc/95/74/08/563957408.db2.gz BJJHZXUBSDJTGY-HXUWFJFHSA-N 0 0 343.492 4.442 50 0 EIAARN COc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000064984977 563957776 /nfs/dbraw/zinc/95/77/76/563957776.db2.gz OMTLPJJZLUAMKB-MRXNPFEDSA-N 0 0 329.400 4.176 50 0 EIAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)on1 ZINC000064985068 563957880 /nfs/dbraw/zinc/95/78/80/563957880.db2.gz KFOONNLRVOCTDB-AWEZNQCLSA-N 0 0 337.782 4.399 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)C[C@H]3c2ccoc2)c1 ZINC000065369980 563958351 /nfs/dbraw/zinc/95/83/51/563958351.db2.gz OFWZAOVCJKRJMW-SFHVURJKSA-N 0 0 346.386 4.314 50 0 EIAARN CC(C)Cc1nc(CC(F)(F)F)n(-c2cccc3cccnc32)n1 ZINC000065370892 563958392 /nfs/dbraw/zinc/95/83/92/563958392.db2.gz ICXZNDGLYBFZRO-UHFFFAOYSA-N 0 0 334.345 4.119 50 0 EIAARN O[C@H](COC1CCCCC1)Cn1cnc(-c2ccccc2)c1C1CC1 ZINC000065373302 563958681 /nfs/dbraw/zinc/95/86/81/563958681.db2.gz GXLXLRZFPCAPQL-SFHVURJKSA-N 0 0 340.467 4.138 50 0 EIAARN CCCCOc1c(OC)cccc1[C@@H]1C[C@H](NC(C)=O)C[C@H](CC)O1 ZINC000065375030 563958768 /nfs/dbraw/zinc/95/87/68/563958768.db2.gz VQRXDJFFMQRPMT-GJYPPUQNSA-N 0 0 349.471 4.009 50 0 EIAARN C/C(=C\c1ccccc1)[C@@H]1CC(=O)Nc2n[nH]c(-c3cccnc3)c21 ZINC000065386069 563959301 /nfs/dbraw/zinc/95/93/01/563959301.db2.gz ICZFRGNWVFGFDX-ISBHARSQSA-N 0 0 330.391 4.001 50 0 EIAARN CC(C)[C@@H]1C[C@H](NC(=O)c2ccccc2)C[C@H](Cc2ccccc2)O1 ZINC000065406988 563960312 /nfs/dbraw/zinc/96/03/12/563960312.db2.gz OCCCVIJAVDXBSK-HKBOAZHASA-N 0 0 337.463 4.231 50 0 EIAARN COc1ccc(OC)c(-c2nc(Cn3ccnc3C(C)C)c(C)o2)c1 ZINC000067641267 563962389 /nfs/dbraw/zinc/96/23/89/563962389.db2.gz XCVAIMFDYMHIDT-UHFFFAOYSA-N 0 0 341.411 4.035 50 0 EIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccc(C)c(F)c1 ZINC000033086132 563963455 /nfs/dbraw/zinc/96/34/55/563963455.db2.gz MEMNSPYRFKAEDZ-UHFFFAOYSA-N 0 0 338.386 4.152 50 0 EIAARN O=C(Nc1ccc(Cl)cn1)c1csc(Cc2ccccc2)n1 ZINC000033158727 563964006 /nfs/dbraw/zinc/96/40/06/563964006.db2.gz VRADOOWURPXUNQ-UHFFFAOYSA-N 0 0 329.812 4.035 50 0 EIAARN COc1ccccc1-c1nccn1[C@@H](Cn1ccnc1)c1ccccc1 ZINC000071479694 563964457 /nfs/dbraw/zinc/96/44/57/563964457.db2.gz BOVDETTWMULPNB-IBGZPJMESA-N 0 0 344.418 4.045 50 0 EIAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1c(F)cccc1F ZINC000033181637 563964539 /nfs/dbraw/zinc/96/45/39/563964539.db2.gz UVTBJJLYRARPFL-UHFFFAOYSA-N 0 0 340.329 4.191 50 0 EIAARN Cc1ccc(C)c(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)c1 ZINC000071639614 563964688 /nfs/dbraw/zinc/96/46/88/563964688.db2.gz GRFTZVOAKJJDNO-QGZVFWFLSA-N 0 0 343.854 4.041 50 0 EIAARN CC(=O)c1c(C)cc(C)c(-c2nccn2C[C@@H]2CCCCO2)c1C ZINC000071730259 563964859 /nfs/dbraw/zinc/96/48/59/563964859.db2.gz GPROXHZUVMNUIM-KRWDZBQOSA-N 0 0 326.440 4.247 50 0 EIAARN CC(=O)c1c(C)cc(C)c(-c2nccn2C[C@H]2CCCCO2)c1C ZINC000071730260 563964875 /nfs/dbraw/zinc/96/48/75/563964875.db2.gz GPROXHZUVMNUIM-QGZVFWFLSA-N 0 0 326.440 4.247 50 0 EIAARN O=C(c1cccc(O)c1)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071751624 563965112 /nfs/dbraw/zinc/96/51/12/563965112.db2.gz APJWRSZXGMXRFI-CQSZACIVSA-N 0 0 345.389 4.155 50 0 EIAARN Cc1c2cc(CNc3nccc(N)n3)ccc2[nH]c1-c1ccccc1F ZINC000071760435 563965361 /nfs/dbraw/zinc/96/53/61/563965361.db2.gz XBIKRGYFARNZAQ-UHFFFAOYSA-N 0 0 347.397 4.267 50 0 EIAARN CC(=O)c1c(C)cc(C)c(-c2nccn2[C@@H](C)c2cnn(C)c2)c1C ZINC000071774426 563965691 /nfs/dbraw/zinc/96/56/91/563965691.db2.gz IHHUNBZQWDIMRP-HNNXBMFYSA-N 0 0 336.439 4.021 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3F)c2)no1 ZINC000033257603 563966191 /nfs/dbraw/zinc/96/61/91/563966191.db2.gz NILGPFXZWWAMRW-UHFFFAOYSA-N 0 0 346.749 4.482 50 0 EIAARN CN(C(=O)c1ccc2sccc2c1)c1cccnc1N1CCCC1 ZINC000097015052 563966660 /nfs/dbraw/zinc/96/66/60/563966660.db2.gz JGKZRZRFRGUELY-UHFFFAOYSA-N 0 0 337.448 4.173 50 0 EIAARN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc(N2CCCC2=O)cc1 ZINC000097037105 563966894 /nfs/dbraw/zinc/96/68/94/563966894.db2.gz XQHXJSYMNJUFEG-AWEZNQCLSA-N 0 0 340.471 4.246 50 0 EIAARN Cc1ccc(-c2noc3ncnc(NCCc4ccsc4)c32)cc1 ZINC000033269120 563967720 /nfs/dbraw/zinc/96/77/20/563967720.db2.gz ZHAHWFUYOGDBBT-UHFFFAOYSA-N 0 0 336.420 4.309 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(C)cc1C)[NH2+]CC2 ZINC000000034546 563967802 /nfs/dbraw/zinc/96/78/02/563967802.db2.gz XCIQZOZFZZVHLG-NRFANRHFSA-N 0 0 325.452 4.336 50 0 EIAARN C[C@@H](NC(=O)CC1CCOCC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000127202847 563967828 /nfs/dbraw/zinc/96/78/28/563967828.db2.gz UJFSFZKTCAONLV-QWHCGFSZSA-N 0 0 343.389 4.130 50 0 EIAARN CCn1c2ccccc2nc1[C@H](C)Nc1nc(C(C)(C)C)ns1 ZINC000097165406 563968494 /nfs/dbraw/zinc/96/84/94/563968494.db2.gz BINAVISYTVUZBJ-NSHDSACASA-N 0 0 329.473 4.378 50 0 EIAARN COc1ccc(C(=O)N2CCC[C@H](c3ccccc3C)C2)c(F)c1F ZINC000077337097 563968978 /nfs/dbraw/zinc/96/89/78/563968978.db2.gz OJVDSDRBSUFEOH-AWEZNQCLSA-N 0 0 345.389 4.302 50 0 EIAARN CC(C)c1nc(CN(C)Cc2ccc([C@@H]3CCCCO3)s2)no1 ZINC000077376622 563969218 /nfs/dbraw/zinc/96/92/18/563969218.db2.gz NQGCYONFXZFLES-AWEZNQCLSA-N 0 0 335.473 4.128 50 0 EIAARN O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000077386276 563969334 /nfs/dbraw/zinc/96/93/34/563969334.db2.gz DBDPUJAGMPBPDA-OAHLLOKOSA-N 0 0 335.325 4.404 50 0 EIAARN CN(C(=O)c1ccccc1-c1ncc[nH]1)[C@@H]1CCCc2ccccc21 ZINC000077407202 563969455 /nfs/dbraw/zinc/96/94/55/563969455.db2.gz ADKNPECEEDYTOF-LJQANCHMSA-N 0 0 331.419 4.226 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)N(C)[C@@H](C)c3cncs3)c2c1 ZINC000077470026 563969802 /nfs/dbraw/zinc/96/98/02/563969802.db2.gz GZROHGWUVJJMQG-ZDUSSCGKSA-N 0 0 325.437 4.141 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)N[C@H](c3ncccc3C)C3CC3)c2c1 ZINC000077471192 563969864 /nfs/dbraw/zinc/96/98/64/563969864.db2.gz OVGIZJVAANEXON-NRFANRHFSA-N 0 0 345.446 4.436 50 0 EIAARN Clc1ccccc1-c1cc(Cn2ccnc2-c2ccncc2)no1 ZINC000077471790 563969912 /nfs/dbraw/zinc/96/99/12/563969912.db2.gz ITDJHTNDFVJWOH-UHFFFAOYSA-N 0 0 336.782 4.302 50 0 EIAARN COc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2Cl)c1 ZINC000077519547 563970156 /nfs/dbraw/zinc/97/01/56/563970156.db2.gz QZYGWDBVINGYQW-SFHVURJKSA-N 0 0 347.817 4.394 50 0 EIAARN CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000077524157 563970221 /nfs/dbraw/zinc/97/02/21/563970221.db2.gz KCWONDWZICQTPW-IBGZPJMESA-N 0 0 325.383 4.396 50 0 EIAARN Clc1cncc(Cl)c1CN1CCCC[C@@H]1CCn1ccnc1 ZINC000077555976 563970307 /nfs/dbraw/zinc/97/03/07/563970307.db2.gz HJAPRLGNWDPINW-CYBMUJFWSA-N 0 0 339.270 4.030 50 0 EIAARN Cc1nscc1C(=O)NC12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000097238598 563970858 /nfs/dbraw/zinc/97/08/58/563970858.db2.gz BKLLAJWFROGAAZ-MPLXBHQASA-N 0 0 344.402 4.083 50 0 EIAARN Cc1nc([C@@H](C)N(C)C(=O)Cc2c(F)cccc2Cl)c(C)s1 ZINC000082097656 563972176 /nfs/dbraw/zinc/97/21/76/563972176.db2.gz DIVLCUSRTPGZLE-SECBINFHSA-N 0 0 340.851 4.315 50 0 EIAARN CC(C)[C@H]1CC[C@H](C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000245537402 563972076 /nfs/dbraw/zinc/97/20/76/563972076.db2.gz ZOXWKEQLQDLNOW-XYPYZODXSA-N 0 0 334.407 4.241 50 0 EIAARN Cc1n[nH]c(C)c1CCCn1ccnc1-c1ccc(F)cc1Cl ZINC000082097489 563972184 /nfs/dbraw/zinc/97/21/84/563972184.db2.gz DBBAHBVRMYTFRW-UHFFFAOYSA-N 0 0 332.810 4.315 50 0 EIAARN Cc1cc(N2CCC[C@@H](c3nccn3C)C2)nc2cc(Cl)ccc12 ZINC000082166391 563972847 /nfs/dbraw/zinc/97/28/47/563972847.db2.gz NLHWUHJSGKHKPQ-CQSZACIVSA-N 0 0 340.858 4.314 50 0 EIAARN O=C(CSc1ccccc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000060643828 563973044 /nfs/dbraw/zinc/97/30/44/563973044.db2.gz PSTHUCYZGIGPQP-HXUWFJFHSA-N 0 0 334.444 4.080 50 0 EIAARN Cc1nc2cc(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)ccc2n1C ZINC000060291267 563973540 /nfs/dbraw/zinc/97/35/40/563973540.db2.gz RAHPTGQQZHHPRM-UHFFFAOYSA-N 0 0 347.340 4.461 50 0 EIAARN Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(N(C)C)nc12 ZINC000033318145 563973691 /nfs/dbraw/zinc/97/36/91/563973691.db2.gz GSRFDNRIVWCLAD-UHFFFAOYSA-N 0 0 330.391 4.326 50 0 EIAARN Cc1nc(-c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)no1 ZINC000128262568 563973786 /nfs/dbraw/zinc/97/37/86/563973786.db2.gz YDFOKRYNRHFKIR-UHFFFAOYSA-N 0 0 347.296 4.316 50 0 EIAARN O=C(Cc1ccccc1Cl)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146774 563973927 /nfs/dbraw/zinc/97/39/27/563973927.db2.gz OKVLNHFYBXINBZ-AWEZNQCLSA-N 0 0 345.851 4.485 50 0 EIAARN CCOC(=O)c1cnc2ccc(C)cc2c1N(C)Cc1ccccc1 ZINC000000071722 563974399 /nfs/dbraw/zinc/97/43/99/563974399.db2.gz WFNQRRMZAAZMSC-UHFFFAOYSA-N 0 0 334.419 4.356 50 0 EIAARN CCCC(=O)Nc1nc(C)c(-c2nc(-c3cccc(C)c3)no2)s1 ZINC000033331313 563974431 /nfs/dbraw/zinc/97/44/31/563974431.db2.gz KGMYJOVOONZHMG-UHFFFAOYSA-N 0 0 342.424 4.216 50 0 EIAARN O=C(c1ncoc1C1CC1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000328951308 563974541 /nfs/dbraw/zinc/97/45/41/563974541.db2.gz XEWAMZGWBBLAGT-AWEZNQCLSA-N 0 0 337.379 4.061 50 0 EIAARN FC(F)(F)c1cccc(-c2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000000080317 563974766 /nfs/dbraw/zinc/97/47/66/563974766.db2.gz KBEHVMDMXUFSTF-UHFFFAOYSA-N 0 0 331.219 4.434 50 0 EIAARN Cc1nc(CN(C)C(=O)[C@@H](C)Oc2ccc3ccccc3c2)cs1 ZINC000091575400 563975518 /nfs/dbraw/zinc/97/55/18/563975518.db2.gz XGSMNAWXAQYYTR-CYBMUJFWSA-N 0 0 340.448 4.031 50 0 EIAARN CC(C)(C)C1CCC(OC(=O)CCC(=O)Nc2nccs2)CC1 ZINC000000108537 563976313 /nfs/dbraw/zinc/97/63/13/563976313.db2.gz NQTGEEVPVHGAKJ-UHFFFAOYSA-N 0 0 338.473 4.010 50 0 EIAARN Cc1nc([C@H]2CCOC2)cc(N(Cc2cccs2)CC(C)C)n1 ZINC000426414817 563976427 /nfs/dbraw/zinc/97/64/27/563976427.db2.gz VVTAMBFDVOJTBJ-HNNXBMFYSA-N 0 0 331.485 4.013 50 0 EIAARN Cc1cc(C)c(NC(=O)NCCCSCc2ccco2)c(C)n1 ZINC000095497801 563977036 /nfs/dbraw/zinc/97/70/36/563977036.db2.gz WAZBFGLNBXLJFG-UHFFFAOYSA-N 0 0 333.457 4.045 50 0 EIAARN CCn1ccnc1C1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000095500761 563977051 /nfs/dbraw/zinc/97/70/51/563977051.db2.gz HHPGXBXBCGQZOF-UHFFFAOYSA-N 0 0 339.464 4.138 50 0 EIAARN CSc1ccc2c(c1)CCN(C(=O)Nc1c(C)cc(C)nc1C)C2 ZINC000095502823 563977073 /nfs/dbraw/zinc/97/70/73/563977073.db2.gz MLQBJYKZCQGCLD-UHFFFAOYSA-N 0 0 341.480 4.319 50 0 EIAARN CO[C@@H]1CCCN(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000095508098 563977164 /nfs/dbraw/zinc/97/71/64/563977164.db2.gz NBVZJKFUQWHBSM-GOSISDBHSA-N 0 0 328.387 4.135 50 0 EIAARN Cc1nc2ccc(NC(=O)NCc3cc(CC(C)C)no3)cc2s1 ZINC000095528749 563977510 /nfs/dbraw/zinc/97/75/10/563977510.db2.gz WAOWFVLCRZXARM-UHFFFAOYSA-N 0 0 344.440 4.113 50 0 EIAARN Cc1cc(C)c(NC(=O)N[C@H](C)c2nncn2C(C)C)c(Cl)c1 ZINC000096139198 563979510 /nfs/dbraw/zinc/97/95/10/563979510.db2.gz LTQUSQASNZDQAF-GFCCVEGCSA-N 0 0 335.839 4.012 50 0 EIAARN Cc1nc(CSCC2CC2)n(Cc2c(F)cccc2Cl)n1 ZINC000096160636 563979811 /nfs/dbraw/zinc/97/98/11/563979811.db2.gz PCDQDJKCKUMFRS-UHFFFAOYSA-N 0 0 325.840 4.071 50 0 EIAARN Cc1cccc(-c2cccc(NC(=O)N3CCCCC[C@H]3CO)c2)c1 ZINC000096163266 563979871 /nfs/dbraw/zinc/97/98/71/563979871.db2.gz RMQMPBDYJJQSKU-FQEVSTJZSA-N 0 0 338.451 4.431 50 0 EIAARN Clc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CCCCC2)cc1 ZINC000096165973 563979950 /nfs/dbraw/zinc/97/99/50/563979950.db2.gz DYKGTAZCOKRAFY-CYBMUJFWSA-N 0 0 332.831 4.477 50 0 EIAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCOCC2)n1)CC[C@@H](C)C3 ZINC000096236668 563980463 /nfs/dbraw/zinc/98/04/63/563980463.db2.gz NLQPRXZSWKJGPH-OLZOCXBDSA-N 0 0 345.512 4.166 50 0 EIAARN CSc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000000097863 563980805 /nfs/dbraw/zinc/98/08/05/563980805.db2.gz TYTFHFYLSDHGHW-UHFFFAOYSA-N 0 0 329.450 4.016 50 0 EIAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000044041263 563981122 /nfs/dbraw/zinc/98/11/22/563981122.db2.gz VISWITWHZXECEO-CYBMUJFWSA-N 0 0 346.386 4.108 50 0 EIAARN O=C(CC1CCCCC1)Nc1cccc(I)c1 ZINC000006241142 563981135 /nfs/dbraw/zinc/98/11/35/563981135.db2.gz VAUJFXCSSYHQHU-UHFFFAOYSA-N 0 0 343.208 4.200 50 0 EIAARN Fc1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)c1 ZINC000006251193 563981307 /nfs/dbraw/zinc/98/13/07/563981307.db2.gz PEESARKIVRFGQX-UHFFFAOYSA-N 0 0 338.411 4.414 50 0 EIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N([C@H](C)C(C)C)C3CC3)c12 ZINC000046445538 563982621 /nfs/dbraw/zinc/98/26/21/563982621.db2.gz RBPFKDDWAWZEJT-CQSZACIVSA-N 0 0 342.487 4.049 50 0 EIAARN CO[C@]1(CO)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCc2occc2[C@H]1CC3 ZINC000071769612 563983095 /nfs/dbraw/zinc/98/30/95/563983095.db2.gz BDVVNPOGDNWUOI-GVOJMRIRSA-N 0 0 330.468 4.293 50 0 biogenic,in-vitro EIAARN CC(=O)Nc1ccc(-c2csc(NCCc3cccs3)n2)cc1 ZINC000014103785 563983223 /nfs/dbraw/zinc/98/32/23/563983223.db2.gz QGPCYLMTOKVJSL-UHFFFAOYSA-N 0 0 343.477 4.485 50 0 EIAARN CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000539434394 563983974 /nfs/dbraw/zinc/98/39/74/563983974.db2.gz AQLSBNNENCGICH-QZTJIDSGSA-N 0 0 348.402 4.026 50 0 EIAARN CCOC(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl ZINC000003160305 563986114 /nfs/dbraw/zinc/98/61/14/563986114.db2.gz HROQDZLNVJMEMH-VIFPVBQESA-N 0 0 328.648 4.221 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc3ccccc23)cc1 ZINC000000148015 563987302 /nfs/dbraw/zinc/98/73/02/563987302.db2.gz PQDYIBGVYVITAW-SDNWHVSQSA-N 0 0 345.398 4.343 50 0 EIAARN CCc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 ZINC000000150381 563987386 /nfs/dbraw/zinc/98/73/86/563987386.db2.gz OTJHDYAOAZRQNN-LBPRGKRZSA-N 0 0 348.240 4.418 50 0 EIAARN Cc1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)c(C)c1 ZINC000000177493 563987702 /nfs/dbraw/zinc/98/77/02/563987702.db2.gz UILYJLHNVOGNGD-YBEGLDIGSA-N 0 0 326.783 4.214 50 0 EIAARN COc1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1Cl ZINC000000178762 563987798 /nfs/dbraw/zinc/98/77/98/563987798.db2.gz ZOMVBQAGWBTHHP-UHFFFAOYSA-N 0 0 337.762 4.302 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000000183498 563987899 /nfs/dbraw/zinc/98/78/99/563987899.db2.gz NWKSDDFZNYNLTQ-LJQANCHMSA-N 0 0 334.350 4.302 50 0 EIAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1 ZINC000000190359 563988115 /nfs/dbraw/zinc/98/81/15/563988115.db2.gz FTJCLBDUACOUGY-UHFFFAOYSA-N 0 0 339.420 4.081 50 0 EIAARN Cc1cc(C)c(C(N)=O)c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000000198135 563988290 /nfs/dbraw/zinc/98/82/90/563988290.db2.gz KLNRJWZZMRVORP-UHFFFAOYSA-N 0 0 333.391 4.333 50 0 EIAARN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000000200759 563988342 /nfs/dbraw/zinc/98/83/42/563988342.db2.gz APOHHZVAKRKDMO-GFCCVEGCSA-N 0 0 327.815 4.201 50 0 EIAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCC2)cc1C ZINC000000218488 563988725 /nfs/dbraw/zinc/98/87/25/563988725.db2.gz CYYFGWVJOMSHRE-HXUWFJFHSA-N 0 0 348.446 4.064 50 0 EIAARN C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1C(=O)NC1CCCC1 ZINC000000217688 563988728 /nfs/dbraw/zinc/98/87/28/563988728.db2.gz ZWLAIFCCUFFFGD-QRWLVFNGSA-N 0 0 348.446 4.004 50 0 EIAARN Cc1ccc(CCNC(=O)CCCc2cn(C)c3ccccc23)cc1 ZINC000000218753 563988788 /nfs/dbraw/zinc/98/87/88/563988788.db2.gz XYEPUBRUDBOWNG-UHFFFAOYSA-N 0 0 334.463 4.168 50 0 EIAARN CN(Cc1ccccc1)C(=O)CCn1c2ccccc2oc1=S ZINC000000224664 563989010 /nfs/dbraw/zinc/98/90/10/563989010.db2.gz OCAGHHPKWWMNBD-UHFFFAOYSA-N 0 0 326.421 4.012 50 0 EIAARN CCOC(=O)c1c(NC(=O)c2cc(C)cc(C)c2)sc2c1CCC2 ZINC000000244050 563989242 /nfs/dbraw/zinc/98/92/42/563989242.db2.gz XHTALALPUAJWIA-UHFFFAOYSA-N 0 0 343.448 4.283 50 0 EIAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)cc1Cl ZINC000000252334 563989500 /nfs/dbraw/zinc/98/95/00/563989500.db2.gz VXXNAMOTDAJSFK-CYBMUJFWSA-N 0 0 339.826 4.056 50 0 EIAARN CC[C@@H](C(=O)Nc1cccc(OC)c1)n1cc(C=O)c2ccccc21 ZINC000000264187 563989829 /nfs/dbraw/zinc/98/98/29/563989829.db2.gz MBMNBXKHWWSXBR-SFHVURJKSA-N 0 0 336.391 4.052 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC000000266069 563989939 /nfs/dbraw/zinc/98/99/39/563989939.db2.gz IJSQPCBSRQHHAL-UHFFFAOYSA-N 0 0 345.398 4.487 50 0 EIAARN COc1ccc(C=Cc2onc3c2C(=O)CC(C)(C)C3)cc1OC ZINC000000294632 563990330 /nfs/dbraw/zinc/99/03/30/563990330.db2.gz QIWNYUXWEVNJLM-SOFGYWHQSA-N 0 0 327.380 4.017 50 0 EIAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)c3ccccc3C)n2)c1 ZINC000000325138 563991234 /nfs/dbraw/zinc/99/12/34/563991234.db2.gz QWHYKURNBPHBKE-GOSISDBHSA-N 0 0 347.418 4.331 50 0 EIAARN Cc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 ZINC000000333338 563991306 /nfs/dbraw/zinc/99/13/06/563991306.db2.gz DELAWIHBMPRLAU-UHFFFAOYSA-N 0 0 347.237 4.180 50 0 EIAARN Cc1ccccc1OCC(=O)Nc1cc(N)cc(Oc2ccccc2)c1 ZINC000000353961 563991575 /nfs/dbraw/zinc/99/15/75/563991575.db2.gz BLGAJKJJMMYOAL-UHFFFAOYSA-N 0 0 348.402 4.387 50 0 EIAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1CCC1 ZINC000000371604 563991779 /nfs/dbraw/zinc/99/17/79/563991779.db2.gz ZOSJUVYHPIQKKT-UHFFFAOYSA-N 0 0 347.411 4.470 50 0 EIAARN O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000000380052 563991931 /nfs/dbraw/zinc/99/19/31/563991931.db2.gz ZDUDOPYECGFONE-UHFFFAOYSA-N 0 0 342.700 4.399 50 0 EIAARN FC(F)(F)c1cccc(-c2nnc3sc(-c4ccco4)nn32)c1 ZINC000000385188 563991990 /nfs/dbraw/zinc/99/19/90/563991990.db2.gz FEYVIKYDACZYDN-UHFFFAOYSA-N 0 0 336.298 4.132 50 0 EIAARN C[C@H](NC(=O)/C=C\c1cccs1)c1ccc(Br)cc1 ZINC000033477105 563992218 /nfs/dbraw/zinc/99/22/18/563992218.db2.gz XAYKMHFDYJKQMI-IQQGHNRFSA-N 0 0 336.254 4.401 50 0 EIAARN Cc1ccc(C)c(OCC(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000007986057 563992664 /nfs/dbraw/zinc/99/26/64/563992664.db2.gz JWBDIPZLNJUHGC-UHFFFAOYSA-N 0 0 338.234 4.305 50 0 EIAARN COc1ccc([C@H](NCc2ncc[nH]2)c2ccccc2Cl)c(C)c1 ZINC000408512996 563992717 /nfs/dbraw/zinc/99/27/17/563992717.db2.gz IDHQCJKULORJDE-IBGZPJMESA-N 0 0 341.842 4.259 50 0 EIAARN C[C@H]1CCN(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccn2)C1 ZINC000408513138 563992744 /nfs/dbraw/zinc/99/27/44/563992744.db2.gz NFQNNNOMBYWWPJ-LBPRGKRZSA-N 0 0 349.356 4.199 50 0 EIAARN Cc1nnc(CN(C2CC2)[C@@H]2CCCOc3c(Cl)cc(C)cc32)o1 ZINC000408513646 563992761 /nfs/dbraw/zinc/99/27/61/563992761.db2.gz PAZBHQXUWBAFQV-MRXNPFEDSA-N 0 0 347.846 4.218 50 0 EIAARN C[C@H](Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)[C@@H]1CCOC1 ZINC000408513839 563992778 /nfs/dbraw/zinc/99/27/78/563992778.db2.gz BDFCFDALKCDFKY-DZGCQCFKSA-N 0 0 334.435 4.181 50 0 EIAARN COC1CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)CC1 ZINC000408518740 563993099 /nfs/dbraw/zinc/99/30/99/563993099.db2.gz XJFBUARGWWDQLE-UHFFFAOYSA-N 0 0 329.149 4.022 50 0 EIAARN Cc1nnc([C@H](C)SCc2nn(-c3ccccc3)c3c2CCC3)o1 ZINC000125454547 563995563 /nfs/dbraw/zinc/99/55/63/563995563.db2.gz UIZGPPQNDRDBNA-LBPRGKRZSA-N 0 0 340.452 4.047 50 0 EIAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000248246573 563995600 /nfs/dbraw/zinc/99/56/00/563995600.db2.gz MKXGCYXVFZXYOM-AJNGGQMLSA-N 0 0 341.373 4.036 50 0 EIAARN CC(C)c1noc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000179069379 563996896 /nfs/dbraw/zinc/99/68/96/563996896.db2.gz UTKIHLBTMQLCNQ-KRWDZBQOSA-N 0 0 342.830 4.121 50 0 EIAARN Cc1cc(Cl)ncc1NC(=O)CSc1ccc(F)cc1F ZINC000135928430 563997533 /nfs/dbraw/zinc/99/75/33/563997533.db2.gz WOXDUGOHLVCOFP-UHFFFAOYSA-N 0 0 328.771 4.052 50 0 EIAARN c1ccc(Oc2ccc(-c3noc([C@H]4CC45CCOCC5)n3)cn2)cc1 ZINC000252480701 563997700 /nfs/dbraw/zinc/99/77/00/563997700.db2.gz CDPSIVUVOLYRIJ-MRXNPFEDSA-N 0 0 349.390 4.208 50 0 EIAARN Cc1cc(C)c2nc(Cl)c([C@@H]3Nc4ccccc4C(=O)N3)cc2c1 ZINC000000421623 563998305 /nfs/dbraw/zinc/99/83/05/563998305.db2.gz VWTJRPLEQWARJI-GOSISDBHSA-N 0 0 337.810 4.359 50 0 EIAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1Cl ZINC000000423788 563998368 /nfs/dbraw/zinc/99/83/68/563998368.db2.gz MFTJVJGZWYJKLI-MRXNPFEDSA-N 0 0 337.803 4.266 50 0 EIAARN COc1ccc(Cl)cc1N1C(=O)CS[C@@H]1c1ccccc1F ZINC000000423918 563998409 /nfs/dbraw/zinc/99/84/09/563998409.db2.gz MYERMKNNSDVUOB-MRXNPFEDSA-N 0 0 337.803 4.266 50 0 EIAARN CCOc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1OCC ZINC000000422226 563998492 /nfs/dbraw/zinc/99/84/92/563998492.db2.gz RLXFSGIKVSGHEQ-UHFFFAOYSA-N 0 0 340.379 4.210 50 0 EIAARN CC(C)(C)[C@H]1CCc2onc(C(=O)NCc3ccc(Cl)cc3)c2C1 ZINC000000426598 563998565 /nfs/dbraw/zinc/99/85/65/563998565.db2.gz JIRKIAUJEQVVFB-ZDUSSCGKSA-N 0 0 346.858 4.409 50 0 EIAARN Nc1c(C(=O)Nc2ccccc2)sc(=S)n1-c1ccccc1F ZINC000000425134 563998586 /nfs/dbraw/zinc/99/85/86/563998586.db2.gz ZQGPDLMJBJAORY-UHFFFAOYSA-N 0 0 345.424 4.242 50 0 EIAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C1CCCC1 ZINC000000425764 563998982 /nfs/dbraw/zinc/99/89/82/563998982.db2.gz WQZSBSAFEOLZDC-UHFFFAOYSA-N 0 0 347.871 4.401 50 0 EIAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccco1 ZINC000000425763 563999008 /nfs/dbraw/zinc/99/90/08/563999008.db2.gz ZIQNBNXMDYBROO-UHFFFAOYSA-N 0 0 345.811 4.118 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1noc2c1CCCC2 ZINC000000426348 563999019 /nfs/dbraw/zinc/99/90/19/563999019.db2.gz LDSUWMLULJOKMC-UHFFFAOYSA-N 0 0 344.720 4.478 50 0 EIAARN Cc1nc2ccccc2c(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1C(C)C ZINC000253416403 563999198 /nfs/dbraw/zinc/99/91/98/563999198.db2.gz ALJOYNZCCASUHW-DLBZAZTESA-N 0 0 348.450 4.142 50 0 EIAARN Cc1ccsc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000000430368 563999367 /nfs/dbraw/zinc/99/93/67/563999367.db2.gz OWYWWQPIUBZKNO-WQLSENKSSA-N 0 0 348.221 4.164 50 0 EIAARN Cc1cccc(NC=C2N=C(c3cccc4ccccc43)OC2=O)c1 ZINC000000431251 563999447 /nfs/dbraw/zinc/99/94/47/563999447.db2.gz HPGDSVBWXLXMMW-CPNJWEJPSA-N 0 0 328.371 4.405 50 0 EIAARN O=C(Cn1cnc2ccccc21)Nc1ccccc1Oc1ccccc1 ZINC000005198889 564000355 /nfs/dbraw/zinc/00/03/55/564000355.db2.gz MIXBKMORXXYHGZ-UHFFFAOYSA-N 0 0 343.386 4.467 50 0 EIAARN CCc1nsc(SCC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000079071423 564000998 /nfs/dbraw/zinc/00/09/98/564000998.db2.gz SFFXRSVYXZXTFL-UHFFFAOYSA-N 0 0 348.280 4.138 50 0 EIAARN O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccccc1F ZINC000005256013 564001613 /nfs/dbraw/zinc/00/16/13/564001613.db2.gz OCGJBUPPEGMHMK-QGZVFWFLSA-N 0 0 341.411 4.326 50 0 EIAARN CCn1cc(NC(=O)Nc2cc(OC)ccc2OC)c2ccccc21 ZINC000005266182 564001742 /nfs/dbraw/zinc/00/17/42/564001742.db2.gz JZVZWJBNBDLDBV-UHFFFAOYSA-N 0 0 339.395 4.322 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2cccn(Cc3ccccc3C)c2=O)c1 ZINC000005269196 564002174 /nfs/dbraw/zinc/00/21/74/564002174.db2.gz GAUHOZYBYNQSGN-UHFFFAOYSA-N 0 0 346.430 4.074 50 0 EIAARN CCc1ccccc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O ZINC000005269614 564002204 /nfs/dbraw/zinc/00/22/04/564002204.db2.gz XALCTWUBPKSIQF-UHFFFAOYSA-N 0 0 346.430 4.020 50 0 EIAARN Cc1ccccc1-c1noc(COc2ccc3c(C)cc(=O)oc3c2)n1 ZINC000005292806 564002372 /nfs/dbraw/zinc/00/23/72/564002372.db2.gz RKUFLEPJIUHEQU-UHFFFAOYSA-N 0 0 348.358 4.039 50 0 EIAARN COc1ccccc1C(=O)Nc1nc2c(cccc2SC)s1 ZINC000005299260 564002519 /nfs/dbraw/zinc/00/25/19/564002519.db2.gz IQNQFXQPAUXWQA-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN Cc1ccc(C)c(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 ZINC000005319181 564002571 /nfs/dbraw/zinc/00/25/71/564002571.db2.gz GKPODHKSZYDZPU-ZDUSSCGKSA-N 0 0 338.476 4.248 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)c(O)c1C ZINC000005340739 564002794 /nfs/dbraw/zinc/00/27/94/564002794.db2.gz XYDPPLOJKZRUBC-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN COc1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1 ZINC000005321526 564002807 /nfs/dbraw/zinc/00/28/07/564002807.db2.gz QFJHJZOCDXGFPL-UHFFFAOYSA-N 0 0 348.446 4.271 50 0 EIAARN COCCOc1cc(NC(=O)c2ccccc2)c(Cl)cc1Cl ZINC000005355872 564002892 /nfs/dbraw/zinc/00/28/92/564002892.db2.gz TVOKJTDAKJYHBU-UHFFFAOYSA-N 0 0 340.206 4.271 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)Nc3cc(C)ccc3C)nc2c1 ZINC000005357705 564002893 /nfs/dbraw/zinc/00/28/93/564002893.db2.gz XJTWUPZCJAQVEB-UHFFFAOYSA-N 0 0 325.437 4.219 50 0 EIAARN CCOc1ccccc1NC(=O)COc1ccc(Cl)c(CC)c1 ZINC000005347280 564002953 /nfs/dbraw/zinc/00/29/53/564002953.db2.gz PKCLBOZIQIBBFV-UHFFFAOYSA-N 0 0 333.815 4.319 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000005411419 564003712 /nfs/dbraw/zinc/00/37/12/564003712.db2.gz JDIXHDWKZGDVEE-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccc(Cl)cc1 ZINC000002616515 564003869 /nfs/dbraw/zinc/00/38/69/564003869.db2.gz BUKRXZXJECRYGG-UHFFFAOYSA-N 0 0 340.810 4.276 50 0 EIAARN CCC[C@H](C)NC(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000005428888 564003888 /nfs/dbraw/zinc/00/38/88/564003888.db2.gz ZWRCCSWQXBFQPG-VIFPVBQESA-N 0 0 337.514 4.013 50 0 EIAARN CCCCOc1ccccc1C(=O)Nc1nonc1-c1ccccc1 ZINC000005451956 564004187 /nfs/dbraw/zinc/00/41/87/564004187.db2.gz BBTRPTDEPZSCJM-UHFFFAOYSA-N 0 0 337.379 4.168 50 0 EIAARN Cc1ccccc1CSc1nc2cc(Br)cnc2[nH]1 ZINC000005454702 564004207 /nfs/dbraw/zinc/00/42/07/564004207.db2.gz YCEKPKDAAOIPNY-UHFFFAOYSA-N 0 0 334.242 4.321 50 0 EIAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1ccc(F)cc1 ZINC000005458557 564004281 /nfs/dbraw/zinc/00/42/81/564004281.db2.gz DKJOKPSKIWSCQR-UHFFFAOYSA-N 0 0 336.391 4.312 50 0 EIAARN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000005451521 564004300 /nfs/dbraw/zinc/00/43/00/564004300.db2.gz DQRRGTCGERSKFS-AWEZNQCLSA-N 0 0 346.814 4.020 50 0 EIAARN C/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000005558494 564005475 /nfs/dbraw/zinc/00/54/75/564005475.db2.gz YQZZIKURLJXFPJ-FNORWQNLSA-N 0 0 325.408 4.363 50 0 EIAARN Cc1ccccc1-c1noc(CCC(=O)Nc2cccc(Cl)c2)n1 ZINC000005561195 564005605 /nfs/dbraw/zinc/00/56/05/564005605.db2.gz CNDQWEYZDHHWCC-UHFFFAOYSA-N 0 0 341.798 4.270 50 0 EIAARN Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccccc3F)no2)c1 ZINC000005575701 564005785 /nfs/dbraw/zinc/00/57/85/564005785.db2.gz LSBSVNCVEPXLMF-UHFFFAOYSA-N 0 0 339.370 4.064 50 0 EIAARN CCC[C@H](C)NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000024348526 564006163 /nfs/dbraw/zinc/00/61/63/564006163.db2.gz CTYCVTCPTXYFKF-SCLBCKFNSA-N 0 0 348.537 4.062 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1nc(-c2cc(C)ccc2C)cs1 ZINC000005615855 564006429 /nfs/dbraw/zinc/00/64/29/564006429.db2.gz KVRRQQWLXNFPQD-UHFFFAOYSA-N 0 0 327.409 4.284 50 0 EIAARN CCC[C@H]1CCCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000062640043 564007026 /nfs/dbraw/zinc/00/70/26/564007026.db2.gz BALWLJHUOWKFRV-LBPRGKRZSA-N 0 0 340.261 4.197 50 0 EIAARN FC(F)(F)c1nc2ccccc2n1-c1cc(-c2ccccc2)n[nH]1 ZINC000005660386 564007414 /nfs/dbraw/zinc/00/74/14/564007414.db2.gz QQWDWADOHXNBQC-UHFFFAOYSA-N 0 0 328.297 4.434 50 0 EIAARN C[C@@H]1C[C@H](C)n2nccc2N1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000081031851 564008795 /nfs/dbraw/zinc/00/87/95/564008795.db2.gz CJSDKLSHZNNZJH-KGLIPLIRSA-N 0 0 346.434 4.309 50 0 EIAARN Cc1nc(C)c(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)o1 ZINC000156617010 564009163 /nfs/dbraw/zinc/00/91/63/564009163.db2.gz KLDKNKWNIQNGHI-GXFFZTMASA-N 0 0 339.222 4.132 50 0 EIAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCc2ccccc2C1 ZINC000017322000 564011690 /nfs/dbraw/zinc/01/16/90/564011690.db2.gz SMXRXLMSAMHLCX-UHFFFAOYSA-N 0 0 334.444 4.317 50 0 EIAARN COc1ccc(-c2nsc(NC(=O)c3csc(C)c3C)n2)cc1 ZINC000180123350 564011729 /nfs/dbraw/zinc/01/17/29/564011729.db2.gz FBHNWMOZHIPHBW-UHFFFAOYSA-N 0 0 345.449 4.144 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000000149922 564012095 /nfs/dbraw/zinc/01/20/95/564012095.db2.gz YISLUGRMWAXJNC-UHFFFAOYSA-N 0 0 341.436 4.065 50 0 EIAARN O=C(CSCc1cccc(Br)c1)NC1CCCCC1 ZINC000000192742 564012185 /nfs/dbraw/zinc/01/21/85/564012185.db2.gz MQAGPUACXJXLEE-UHFFFAOYSA-N 0 0 342.302 4.131 50 0 EIAARN Cc1c(Br)cccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000000409460 564012604 /nfs/dbraw/zinc/01/26/04/564012604.db2.gz RNOVAHXPFCDWLS-KGLIPLIRSA-N 0 0 330.225 4.500 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 ZINC000000444311 564012630 /nfs/dbraw/zinc/01/26/30/564012630.db2.gz KPKKRFCIGAEYIY-JXMROGBWSA-N 0 0 332.197 4.110 50 0 EIAARN C[C@H](CCc1ccccc1)NC(=O)c1ccccc1Br ZINC000000453814 564012673 /nfs/dbraw/zinc/01/26/73/564012673.db2.gz XNHZDWLFUCUSDO-CYBMUJFWSA-N 0 0 332.241 4.200 50 0 EIAARN CCCC(=O)Nc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000001209791 564013001 /nfs/dbraw/zinc/01/30/01/564013001.db2.gz FWWGNBOGHQEHFA-UHFFFAOYSA-N 0 0 340.423 4.060 50 0 EIAARN Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)c(C)c1 ZINC000003147289 564014389 /nfs/dbraw/zinc/01/43/89/564014389.db2.gz NIULVFSIQSIPMP-BOPFTXTBSA-N 0 0 338.432 4.409 50 0 EIAARN COC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC000005669621 564016855 /nfs/dbraw/zinc/01/68/55/564016855.db2.gz GTAQOEIWXCBOSF-KTHBZUIVSA-N 0 0 344.295 4.282 50 0 EIAARN C[C@@H](C(=O)Nc1cc(C(C)(C)C)ccc1O)n1cnc2ccccc21 ZINC000046669912 564017716 /nfs/dbraw/zinc/01/77/16/564017716.db2.gz RQVFGPCRBITVME-ZDUSSCGKSA-N 0 0 337.423 4.239 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)n[nH]1 ZINC000005696253 564019168 /nfs/dbraw/zinc/01/91/68/564019168.db2.gz KJZPTPWEZCYETK-UHFFFAOYSA-N 0 0 342.402 4.494 50 0 EIAARN S=C1N2CCCN2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000000509671 564019879 /nfs/dbraw/zinc/01/98/79/564019879.db2.gz AXTIMGDLGCBLQL-INIZCTEOSA-N 0 0 329.856 4.066 50 0 EIAARN O=C1CCCC2=Nc3nc(C(F)(F)F)nn3[C@H](c3cccs3)C12 ZINC000102583709 564020384 /nfs/dbraw/zinc/02/03/84/564020384.db2.gz DLFRUCPDGMYGDI-LLVKDONJSA-N 0 0 340.330 4.030 50 0 EIAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3)C(C)(C)C)cc2c1 ZINC000000522395 564021101 /nfs/dbraw/zinc/02/11/01/564021101.db2.gz WSGXOMDZHNIADT-UHFFFAOYSA-N 0 0 348.446 4.277 50 0 EIAARN Cc1csc(-c2cc3ccc(OC(=O)C(C)(C)C)cc3oc2=O)n1 ZINC000000528410 564021384 /nfs/dbraw/zinc/02/13/84/564021384.db2.gz CWVIKCJOROSWRM-UHFFFAOYSA-N 0 0 343.404 4.176 50 0 biogenic EIAARN Clc1nc2ccccc2cc1CSc1nnnn1C1CCCC1 ZINC000014114401 564021418 /nfs/dbraw/zinc/02/14/18/564021418.db2.gz WFRLPOWPZAZMOL-UHFFFAOYSA-N 0 0 345.859 4.282 50 0 EIAARN COc1ccccc1[C@@H]1C[C@H](c2ccccc2Cl)Nc2ncnn21 ZINC000000532478 564021558 /nfs/dbraw/zinc/02/15/58/564021558.db2.gz NGCAJKYLIFVFND-CVEARBPZSA-N 0 0 340.814 4.086 50 0 EIAARN Fc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 ZINC000000531224 564021641 /nfs/dbraw/zinc/02/16/41/564021641.db2.gz KTMXCDZTOSOCSP-HOTGVXAUSA-N 0 0 328.778 4.217 50 0 EIAARN Cc1c(O[C@@H]2CCCCC2=O)ccc2c3c(c(=O)oc12)CCCCC3 ZINC000000531296 564021654 /nfs/dbraw/zinc/02/16/54/564021654.db2.gz CGFFLJKRTWVWGG-LJQANCHMSA-N 0 0 340.419 4.261 50 0 EIAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)NC3CCCC3)cc12 ZINC000000536506 564022189 /nfs/dbraw/zinc/02/21/89/564022189.db2.gz PTCZOKZCKANWQU-UHFFFAOYSA-N 0 0 339.464 4.376 50 0 EIAARN Cc1ccc([C@H](CC(=O)NCc2ccco2)c2ccccc2)c(O)c1C ZINC000000543818 564022549 /nfs/dbraw/zinc/02/25/49/564022549.db2.gz HWSQMBAJYOOAHT-HXUWFJFHSA-N 0 0 349.430 4.440 50 0 EIAARN O=c1c2ccccc2nc(-c2ccccc2)n1CCc1ccccc1 ZINC000000546443 564022756 /nfs/dbraw/zinc/02/27/56/564022756.db2.gz KANHEDFPOIQKTH-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/02/38/05/564023805.db2.gz HVNKUSWWXJNTOP-UHFFFAOYSA-N 0 0 327.746 4.188 50 0 EIAARN Cc1cc2ncn(Cc3cc(Cl)cc4c3OCOC4)c2cc1C ZINC000000572574 564023878 /nfs/dbraw/zinc/02/38/78/564023878.db2.gz ZDWDIGXHOIMXJP-UHFFFAOYSA-N 0 0 328.799 4.221 50 0 EIAARN CCc1ccc([C@@H]2CC(=O)Oc3c4c(C)cc(C)cc4oc(=O)c32)cc1 ZINC000104766161 564024155 /nfs/dbraw/zinc/02/41/55/564024155.db2.gz KVAXIYYNHQZBGV-INIZCTEOSA-N 0 0 348.398 4.413 50 0 EIAARN O=C1c2cccc3c(O)ccc(c32)C(=O)N1c1cccc2ccccc21 ZINC000005731752 564024593 /nfs/dbraw/zinc/02/45/93/564024593.db2.gz PXSYDDKMYPCVFR-UHFFFAOYSA-N 0 0 339.350 4.499 50 0 EIAARN COC(=O)c1c(NCc2cccc(F)c2)onc1-c1ccc(F)cc1 ZINC000046914543 564025591 /nfs/dbraw/zinc/02/55/91/564025591.db2.gz IQQHFSYNSYLCHN-UHFFFAOYSA-N 0 0 344.317 4.019 50 0 EIAARN CCCc1nnc(NC(=O)N(CC)[C@H](C)c2ccc(F)cc2)s1 ZINC000047378537 564026177 /nfs/dbraw/zinc/02/61/77/564026177.db2.gz KUTBPIVECNMMBH-LLVKDONJSA-N 0 0 336.436 4.245 50 0 EIAARN c1coc(CN(Cc2ccco2)Cc2nc(Cc3ccccc3)no2)c1 ZINC000047406687 564026232 /nfs/dbraw/zinc/02/62/32/564026232.db2.gz FBPUYQWKBLQQBB-UHFFFAOYSA-N 0 0 349.390 4.049 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000107050794 564026782 /nfs/dbraw/zinc/02/67/82/564026782.db2.gz RFSHLQKWWGPALO-JLJPHGGASA-N 0 0 342.464 4.070 50 0 EIAARN CSc1ccsc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000107130449 564026827 /nfs/dbraw/zinc/02/68/27/564026827.db2.gz RSJSKQYHFCVQON-GOEBONIOSA-N 0 0 347.505 4.368 50 0 EIAARN CCC(=O)N1CCc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000044817256 564027199 /nfs/dbraw/zinc/02/71/99/564027199.db2.gz SDONOTASHXLKRL-UHFFFAOYSA-N 0 0 346.789 4.031 50 0 EIAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000044858076 564027213 /nfs/dbraw/zinc/02/72/13/564027213.db2.gz LKSYLBJVKOOABR-IBGZPJMESA-N 0 0 339.439 4.053 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3Cl)n[nH]2)cc1 ZINC000044837752 564027268 /nfs/dbraw/zinc/02/72/68/564027268.db2.gz YRTNDNBDNPTYGC-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN O=C1CS[C@H](c2ccsc2)c2cnn(-c3ccccc3)c2N1 ZINC000044890401 564027495 /nfs/dbraw/zinc/02/74/95/564027495.db2.gz WLSGPVBJMDPCFO-OAHLLOKOSA-N 0 0 327.434 4.358 50 0 EIAARN Cc1ccc2c(ccn2CCC(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000044900853 564027611 /nfs/dbraw/zinc/02/76/11/564027611.db2.gz OIICCBGWTFWNJV-UHFFFAOYSA-N 0 0 332.325 4.396 50 0 EIAARN CC(C)c1noc(CCCC(=O)N[C@@H](C)c2ccc(Cl)s2)n1 ZINC000044939454 564027810 /nfs/dbraw/zinc/02/78/10/564027810.db2.gz LDFRPANPVSONEA-JTQLQIEISA-N 0 0 341.864 4.108 50 0 EIAARN COc1ccc([C@@H]2CC(c3ccccn3)=NN2c2ccccc2)cc1 ZINC000044973457 564027966 /nfs/dbraw/zinc/02/79/66/564027966.db2.gz AMAYVBHOQWHADI-NRFANRHFSA-N 0 0 329.403 4.446 50 0 EIAARN Cc1cnc(C(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cn1 ZINC000045403280 564028451 /nfs/dbraw/zinc/02/84/51/564028451.db2.gz ZFHPQXJXTJVGSO-GFCCVEGCSA-N 0 0 349.356 4.170 50 0 EIAARN CCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(C)cc1 ZINC000045896275 564028759 /nfs/dbraw/zinc/02/87/59/564028759.db2.gz LZNSWPRAYBNEPQ-UHFFFAOYSA-N 0 0 337.379 4.177 50 0 EIAARN O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2)C1c1ccccc1 ZINC000045942688 564028979 /nfs/dbraw/zinc/02/89/79/564028979.db2.gz ZKGCRNRUJUENMH-FQEVSTJZSA-N 0 0 342.398 4.134 50 0 EIAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(C)ccc1C ZINC000045967237 564029049 /nfs/dbraw/zinc/02/90/49/564029049.db2.gz GTMAHHHIWVSMEX-UHFFFAOYSA-N 0 0 335.407 4.124 50 0 EIAARN O=C(Nc1cccc(-c2nnco2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000046003964 564029053 /nfs/dbraw/zinc/02/90/53/564029053.db2.gz SFCIAOYICODNKJ-OAHLLOKOSA-N 0 0 340.408 4.167 50 0 EIAARN Cc1ccccc1NC(=O)Nc1ccc2c(c1)oc(=O)n2C(C)C ZINC000046010485 564029132 /nfs/dbraw/zinc/02/91/32/564029132.db2.gz VPDVIUZBCHNUOP-UHFFFAOYSA-N 0 0 325.368 4.128 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1OC ZINC000046018372 564029247 /nfs/dbraw/zinc/02/92/47/564029247.db2.gz HKODYOMTXVHDGM-QGZVFWFLSA-N 0 0 340.423 4.381 50 0 EIAARN O=C(c1csc(-c2cccs2)n1)N(Cc1ccncc1)C1CC1 ZINC000046043147 564029325 /nfs/dbraw/zinc/02/93/25/564029325.db2.gz GAUINVAMROSXBN-UHFFFAOYSA-N 0 0 341.461 4.071 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1cc2c(cc1C)OCCCO2 ZINC000046077871 564029458 /nfs/dbraw/zinc/02/94/58/564029458.db2.gz PUWCIJJNNXAGLM-UHFFFAOYSA-N 0 0 331.799 4.370 50 0 EIAARN c1cc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cs1 ZINC000046088210 564029530 /nfs/dbraw/zinc/02/95/30/564029530.db2.gz NSVJYVAYFBQGHJ-INIZCTEOSA-N 0 0 325.437 4.059 50 0 EIAARN O=C(CSc1ccc(O)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000047884321 564029758 /nfs/dbraw/zinc/02/97/58/564029758.db2.gz KIIUIZNRIKCKRY-UHFFFAOYSA-N 0 0 343.326 4.022 50 0 EIAARN COc1cccc2c(C)c(C(=O)Nc3ccc(O)c(Cl)c3)oc21 ZINC000111667294 564029933 /nfs/dbraw/zinc/02/99/33/564029933.db2.gz JWHLUBBNAFCVTK-UHFFFAOYSA-N 0 0 331.755 4.361 50 0 EIAARN CN(Cc1cc(Br)cs1)C(=O)c1ccccc1Cl ZINC000048069563 564029951 /nfs/dbraw/zinc/02/99/51/564029951.db2.gz UUKABYVJDDCZIC-UHFFFAOYSA-N 0 0 344.661 4.436 50 0 EIAARN CCc1c(C(=O)N[C@@H](C)c2cccc(Cl)c2)[nH]c(C)c1C(C)=O ZINC000048166685 564029987 /nfs/dbraw/zinc/02/99/87/564029987.db2.gz OTZGPEVHYLHALO-JTQLQIEISA-N 0 0 332.831 4.233 50 0 EIAARN Cn1ccnc1SCc1ccc(C(=O)NC2CCCCCCC2)o1 ZINC000048234210 564030095 /nfs/dbraw/zinc/03/00/95/564030095.db2.gz KHDNIKLMCLLIDZ-UHFFFAOYSA-N 0 0 347.484 4.148 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1cccc(Cl)c1N(C)C ZINC000048275341 564030586 /nfs/dbraw/zinc/03/05/86/564030586.db2.gz ZJDWKNKNZVTUBW-UHFFFAOYSA-N 0 0 332.831 4.040 50 0 EIAARN CCCCOc1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000048277578 564030652 /nfs/dbraw/zinc/03/06/52/564030652.db2.gz UMFSJRRYHUXHAG-UHFFFAOYSA-N 0 0 335.407 4.304 50 0 EIAARN O=C(CSCCCc1ccccc1)NCc1ccccc1Cl ZINC000048309318 564030750 /nfs/dbraw/zinc/03/07/50/564030750.db2.gz AVDLRFICWWZMOC-UHFFFAOYSA-N 0 0 333.884 4.322 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)c2cc3cc(Br)ccc3[nH]2)o1 ZINC000048300328 564030824 /nfs/dbraw/zinc/03/08/24/564030824.db2.gz IZWITXKKSPRDIE-SNVBAGLBSA-N 0 0 347.212 4.323 50 0 EIAARN Cc1nc(CNC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cs1 ZINC000048341338 564031240 /nfs/dbraw/zinc/03/12/40/564031240.db2.gz XXGPYCIOZDISEH-ZBEGNZNMSA-N 0 0 345.468 4.042 50 0 EIAARN Cc1cc(C)c(NC(=O)CN(C)CCO[C@@H]2CCCC[C@@H]2C)c(C)c1 ZINC000048343402 564031274 /nfs/dbraw/zinc/03/12/74/564031274.db2.gz VXMHYJLIVVYGJE-QFBILLFUSA-N 0 0 346.515 4.077 50 0 EIAARN CCCn1cc(-c2ccnc(N[C@H]3CCc4ccccc43)n2)c(C)n1 ZINC000048488527 564031877 /nfs/dbraw/zinc/03/18/77/564031877.db2.gz IVBNDKUYYONSFM-SFHVURJKSA-N 0 0 333.439 4.158 50 0 EIAARN CCCOc1ccc(NC(=O)N2CCC[C@@H](COC)C2)cc1Cl ZINC000113548512 564032820 /nfs/dbraw/zinc/03/28/20/564032820.db2.gz COZATOGTPGLCLH-CYBMUJFWSA-N 0 0 340.851 4.019 50 0 EIAARN O=C(NCC1(c2ccccc2)CC1)c1csc(-c2cccs2)n1 ZINC000014901424 564033000 /nfs/dbraw/zinc/03/30/00/564033000.db2.gz WJQXDWKTTLHNNE-UHFFFAOYSA-N 0 0 340.473 4.333 50 0 EIAARN O=C1C[C@H](c2nc(-c3ccc(F)cc3Cl)no2)c2ccccc2N1 ZINC000115179663 564033056 /nfs/dbraw/zinc/03/30/56/564033056.db2.gz LSYZDNNUKOGXRJ-LBPRGKRZSA-N 0 0 343.745 4.003 50 0 EIAARN CCn1c2cc(C)ccc2c(C[NH2+]C2CCCCCC2)c1C(=O)[O-] ZINC000006795227 564033534 /nfs/dbraw/zinc/03/35/34/564033534.db2.gz NOMSGUPTYSEGOZ-UHFFFAOYSA-N 0 0 328.456 4.480 50 0 EIAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1 ZINC000002486945 564033714 /nfs/dbraw/zinc/03/37/14/564033714.db2.gz IYIITGYYTBUPTI-CQSZACIVSA-N 0 0 332.812 4.431 50 0 EIAARN COc1cc(/C=C/C(=O)OCc2ccccc2C)ccc1OC(F)F ZINC000007980552 564034609 /nfs/dbraw/zinc/03/46/09/564034609.db2.gz XUKFXPLDKWRHCU-CSKARUKUSA-N 0 0 348.345 4.362 50 0 EIAARN O=C(Nc1ccc(C2=CSC3=NCCCN23)cc1)c1ccccc1 ZINC000008129696 564034712 /nfs/dbraw/zinc/03/47/12/564034712.db2.gz MHZIHTLLCURIPC-UHFFFAOYSA-N 0 0 335.432 4.046 50 0 EIAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C2CC2)c1 ZINC000008132177 564034724 /nfs/dbraw/zinc/03/47/24/564034724.db2.gz IFCGPACCVWYJHK-MRXNPFEDSA-N 0 0 345.446 4.376 50 0 EIAARN O=C(/C=C/c1ccccc1Cl)NCc1ccnc(-c2ccncc2)c1 ZINC000390827853 564034756 /nfs/dbraw/zinc/03/47/56/564034756.db2.gz LESVYOZSSYSBRM-AATRIKPKSA-N 0 0 349.821 4.127 50 0 EIAARN OC1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000008149155 564034762 /nfs/dbraw/zinc/03/47/62/564034762.db2.gz RKAFTQOLJMOHJI-UHFFFAOYSA-N 0 0 343.427 4.213 50 0 EIAARN CSCC[C@H](C(=O)Nc1nc2ccc(F)cc2s1)n1cccc1 ZINC000604419343 564034889 /nfs/dbraw/zinc/03/48/89/564034889.db2.gz VZVFKHXCIBZZQR-CYBMUJFWSA-N 0 0 349.456 4.170 50 0 EIAARN O=C(Cc1ccccc1Cl)NCCCc1cc2ccccc2o1 ZINC000390831743 564035080 /nfs/dbraw/zinc/03/50/80/564035080.db2.gz UMXJFEPYYPSFDS-UHFFFAOYSA-N 0 0 327.811 4.378 50 0 EIAARN CCOc1ccccc1NC(=O)NCc1ccc(-c2ccoc2)nc1 ZINC000390831834 564035108 /nfs/dbraw/zinc/03/51/08/564035108.db2.gz VIPZCOBFJRRCKL-UHFFFAOYSA-N 0 0 337.379 4.062 50 0 EIAARN COc1cccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1OC ZINC000000818102 564035280 /nfs/dbraw/zinc/03/52/80/564035280.db2.gz DQRURWSPDDZBMW-FQEVSTJZSA-N 0 0 335.407 4.157 50 0 EIAARN COc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c(OC)c1 ZINC000000818105 564035296 /nfs/dbraw/zinc/03/52/96/564035296.db2.gz MLVLTLZIRMTBBI-HXUWFJFHSA-N 0 0 335.407 4.157 50 0 EIAARN COc1ccc2cc(C(=O)N[C@H](c3cccs3)C(C)C)[nH]c2c1 ZINC000031257829 564035827 /nfs/dbraw/zinc/03/58/27/564035827.db2.gz TXYDIXIBZLVTBC-KRWDZBQOSA-N 0 0 328.437 4.365 50 0 EIAARN O=C(Nc1cnc2ccccc2c1)c1ccccc1Br ZINC000025061216 564036834 /nfs/dbraw/zinc/03/68/34/564036834.db2.gz PVCRGNTXWINZTA-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN COc1ccc(C)nc1NC(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC000225440157 564046745 /nfs/dbraw/zinc/04/67/45/564046745.db2.gz UYZDFTHOHGEURD-UHFFFAOYSA-N 0 0 348.402 4.327 50 0 EIAARN O=C(NCCF)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000225496707 564047306 /nfs/dbraw/zinc/04/73/06/564047306.db2.gz QVHGQXCSXCFGFR-UHFFFAOYSA-N 0 0 346.452 4.288 50 0 EIAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000029378883 564048355 /nfs/dbraw/zinc/04/83/55/564048355.db2.gz MHLDXQVBYOFMSF-MRXNPFEDSA-N 0 0 332.403 4.497 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccncc1 ZINC000059790889 564050978 /nfs/dbraw/zinc/05/09/78/564050978.db2.gz SYXXNEICYFNACR-UHFFFAOYSA-N 0 0 345.118 4.115 50 0 EIAARN O=C1ON=C(c2ccccc2)C1=CNc1cc(Cl)ccc1Cl ZINC000000032268 564051512 /nfs/dbraw/zinc/05/15/12/564051512.db2.gz LNIBQBMDXNLJBL-FMIVXFBMSA-N 0 0 333.174 4.250 50 0 EIAARN CC(C)n1cnc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000239359628 564051625 /nfs/dbraw/zinc/05/16/25/564051625.db2.gz AEYHFBVEKKLRBG-HNNXBMFYSA-N 0 0 329.419 4.013 50 0 EIAARN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2Cc2nnc(C)o2)c1 ZINC000240886191 564051806 /nfs/dbraw/zinc/05/18/06/564051806.db2.gz INQIVRNLMDHJOU-FPOVZHCZSA-N 0 0 349.434 4.117 50 0 EIAARN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2Cc2nnc(C)o2)c1 ZINC000240886190 564051813 /nfs/dbraw/zinc/05/18/13/564051813.db2.gz INQIVRNLMDHJOU-CTNGQTDRSA-N 0 0 349.434 4.117 50 0 EIAARN CSc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1ncc(C)s1 ZINC000241371429 564051976 /nfs/dbraw/zinc/05/19/76/564051976.db2.gz MNNHFVZKSKKANP-NEPJUHHUSA-N 0 0 335.498 4.295 50 0 EIAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)C1CCCC1 ZINC000018705677 564052556 /nfs/dbraw/zinc/05/25/56/564052556.db2.gz DYMBWLDJYZVETH-UHFFFAOYSA-N 0 0 329.400 4.331 50 0 EIAARN Cc1ccc(NC(C)C)c(NC(=O)c2occc2Br)c1 ZINC000081838890 564052719 /nfs/dbraw/zinc/05/27/19/564052719.db2.gz VCLXBHFQCWUIRZ-UHFFFAOYSA-N 0 0 337.217 4.423 50 0 EIAARN Cc1cc(C(=O)N2CCn3cccc3[C@@H]2c2cccs2)ccc1F ZINC000086012787 564053095 /nfs/dbraw/zinc/05/30/95/564053095.db2.gz CTVAGGLFZMYSDF-GOSISDBHSA-N 0 0 340.423 4.243 50 0 EIAARN COc1ccccc1/C=C/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000015216984 564056048 /nfs/dbraw/zinc/05/60/48/564056048.db2.gz WPUJCXOLWXLEQJ-JCBYOESDSA-N 0 0 339.778 4.249 50 0 EIAARN Cc1nnc([C@H](C)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000190360664 564056630 /nfs/dbraw/zinc/05/66/30/564056630.db2.gz SWVUHQBAEVOQNS-ZJUUUORDSA-N 0 0 344.242 4.145 50 0 EIAARN O=C(COC(=O)c1ccco1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000005855054 564056674 /nfs/dbraw/zinc/05/66/74/564056674.db2.gz OQAXMHHEAJXWPZ-UHFFFAOYSA-N 0 0 345.354 4.468 50 0 EIAARN Cc1ccc(-c2nnc(SCc3cn4cc(C)ccc4n3)o2)cc1 ZINC000005862361 564056709 /nfs/dbraw/zinc/05/67/09/564056709.db2.gz GGPYUGZORBERLU-UHFFFAOYSA-N 0 0 336.420 4.293 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000005880718 564056790 /nfs/dbraw/zinc/05/67/90/564056790.db2.gz VBOKZKYIVMJVKN-UHFFFAOYSA-N 0 0 347.749 4.123 50 0 EIAARN O=C1OCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000005901549 564056900 /nfs/dbraw/zinc/05/69/00/564056900.db2.gz SUBQMFWDAFLXIQ-OAHLLOKOSA-N 0 0 336.416 4.151 50 0 EIAARN COC(=O)c1cc2c3ccccc3[nH]c2c(-c2cccc(OC)c2)n1 ZINC000005960727 564057313 /nfs/dbraw/zinc/05/73/13/564057313.db2.gz OLZPAMSKMDOAAY-UHFFFAOYSA-N 0 0 332.359 4.178 50 0 biogenic EIAARN OCCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001773042 564057315 /nfs/dbraw/zinc/05/73/15/564057315.db2.gz ZYHYKNXGKZUOEX-UHFFFAOYSA-N 0 0 334.206 4.008 50 0 EIAARN COc1ccccc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000005965352 564057356 /nfs/dbraw/zinc/05/73/56/564057356.db2.gz FKCQNYRZPJJPIC-HNNXBMFYSA-N 0 0 335.403 4.105 50 0 EIAARN CCC[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 ZINC000005978990 564057423 /nfs/dbraw/zinc/05/74/23/564057423.db2.gz GUTWDLAOMIKMDS-GFCCVEGCSA-N 0 0 348.512 4.271 50 0 EIAARN CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000006005473 564057569 /nfs/dbraw/zinc/05/75/69/564057569.db2.gz RSRJHQBTDDBRBW-ZDUSSCGKSA-N 0 0 331.437 4.204 50 0 EIAARN CC[C@H](C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000012529434 564058235 /nfs/dbraw/zinc/05/82/35/564058235.db2.gz LXCXATQYEXTQQA-AWEZNQCLSA-N 0 0 339.464 4.032 50 0 EIAARN COc1ccc2c(C)cc(SCC(=O)N(C(C)C)C(C)C)nc2c1 ZINC000012533672 564058338 /nfs/dbraw/zinc/05/83/38/564058338.db2.gz YKOWFRIGLUISKL-UHFFFAOYSA-N 0 0 346.496 4.289 50 0 EIAARN CC(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 ZINC000005373604 564058413 /nfs/dbraw/zinc/05/84/13/564058413.db2.gz PTEQSIKDEQZNEI-UHFFFAOYSA-N 0 0 346.789 4.031 50 0 EIAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000012539629 564058543 /nfs/dbraw/zinc/05/85/43/564058543.db2.gz CIIVHRJYVVCPRD-FTUXVVSKSA-N 0 0 345.446 4.433 50 0 EIAARN C[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2[nH]1 ZINC000012539776 564058547 /nfs/dbraw/zinc/05/85/47/564058547.db2.gz SONKNKOYRGOMGH-SSDOTTSWSA-N 0 0 340.235 4.422 50 0 EIAARN Clc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 ZINC000003235898 564058599 /nfs/dbraw/zinc/05/85/99/564058599.db2.gz JSFATXXNPXBLCX-UHFFFAOYSA-N 0 0 344.871 4.372 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1C ZINC000005373848 564058829 /nfs/dbraw/zinc/05/88/29/564058829.db2.gz VPDDBOSAHNPPPL-UHFFFAOYSA-N 0 0 348.446 4.245 50 0 EIAARN CCOc1ccc2oc(C(=O)OCC(=O)c3cccs3)c(C)c2c1 ZINC000003285424 564059016 /nfs/dbraw/zinc/05/90/16/564059016.db2.gz AESAIGYHCGGMQK-UHFFFAOYSA-N 0 0 344.388 4.241 50 0 EIAARN Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3s2)n1 ZINC000003286986 564059024 /nfs/dbraw/zinc/05/90/24/564059024.db2.gz QBBYTWAQFHMTJN-UHFFFAOYSA-N 0 0 340.433 4.104 50 0 EIAARN CN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000012550235 564059057 /nfs/dbraw/zinc/05/90/57/564059057.db2.gz WLPBUIBKRBAUBK-UHFFFAOYSA-N 0 0 325.799 4.002 50 0 EIAARN Cc1ccc(NC(=O)CSc2ncnc3ccccc32)c(Cl)c1 ZINC000003291721 564059098 /nfs/dbraw/zinc/05/90/98/564059098.db2.gz NIVRTBDJSLVJIO-UHFFFAOYSA-N 0 0 343.839 4.322 50 0 EIAARN CSCc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000012556374 564059321 /nfs/dbraw/zinc/05/93/21/564059321.db2.gz NHTKAKORHQOUGG-UHFFFAOYSA-N 0 0 338.476 4.324 50 0 EIAARN C[C@H](NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000003514798 564059902 /nfs/dbraw/zinc/05/99/02/564059902.db2.gz KDMCNGMSQPIYDK-HNNXBMFYSA-N 0 0 339.435 4.018 50 0 EIAARN O=C(/C=C/c1ccccc1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447467 564060083 /nfs/dbraw/zinc/06/00/83/564060083.db2.gz IGGMOAWLGIIJAQ-VOTSOKGWSA-N 0 0 325.355 4.352 50 0 EIAARN Cc1ccc2c(cccc2NC(=O)N[C@@H]2COC3(C2)CCCCC3)n1 ZINC000299770160 564060787 /nfs/dbraw/zinc/06/07/87/564060787.db2.gz POZQDAKXKBVVPC-HNNXBMFYSA-N 0 0 339.439 4.157 50 0 EIAARN Cc1ccc(CN(C)C(=O)N[C@@H](CC(C)(C)C)c2cccnc2)o1 ZINC000534658138 564061473 /nfs/dbraw/zinc/06/14/73/564061473.db2.gz XSWBXYHRNIZDNN-KRWDZBQOSA-N 0 0 329.444 4.302 50 0 EIAARN NC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl ZINC000031954231 564061728 /nfs/dbraw/zinc/06/17/28/564061728.db2.gz ILLLAIHERQPTRF-UHFFFAOYSA-N 0 0 349.173 4.091 50 0 EIAARN CCCCc1nc2ccccc2n1CC(=O)N(CC)c1ccccc1 ZINC000012650338 564062435 /nfs/dbraw/zinc/06/24/35/564062435.db2.gz UIOAZABSKZWMKM-UHFFFAOYSA-N 0 0 335.451 4.432 50 0 EIAARN Cc1cc(NC(=O)c2c(F)cccc2F)ccc1N1CCCCC1=O ZINC000005441344 564062467 /nfs/dbraw/zinc/06/24/67/564062467.db2.gz GNGIRDGUYGGEBA-UHFFFAOYSA-N 0 0 344.361 4.042 50 0 EIAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1 ZINC000012679698 564062582 /nfs/dbraw/zinc/06/25/82/564062582.db2.gz RFCTZAXSJUEOCI-SMDDNHRTSA-N 0 0 343.452 4.143 50 0 EIAARN CC1(C)Cc2ccccc2-c2[nH]c(=S)n(Cc3ccccc3)c(=O)c21 ZINC000001249336 564062736 /nfs/dbraw/zinc/06/27/36/564062736.db2.gz NJEBVYIPYIHUOL-UHFFFAOYSA-N 0 0 348.471 4.455 50 0 EIAARN CCOc1ccc(-c2cc(=O)oc(-c3ccc(Cl)cc3)n2)cc1 ZINC000001275821 564062836 /nfs/dbraw/zinc/06/28/36/564062836.db2.gz XSKJMUNOTVCONF-UHFFFAOYSA-N 0 0 327.767 4.421 50 0 EIAARN Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccco1)nn3CC(C)C ZINC000001295071 564063012 /nfs/dbraw/zinc/06/30/12/564063012.db2.gz WMVQZIABIMIQEH-UHFFFAOYSA-N 0 0 348.406 4.394 50 0 EIAARN Fc1ccc(CN=C2NN=C(c3cc4ccccc4o3)CS2)cc1 ZINC000015452995 564063361 /nfs/dbraw/zinc/06/33/61/564063361.db2.gz DCAIGWNJAATPBV-UHFFFAOYSA-N 0 0 339.395 4.169 50 0 EIAARN Cc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002772467 564063378 /nfs/dbraw/zinc/06/33/78/564063378.db2.gz OCPCFMBTDAOLEB-NSHDSACASA-N 0 0 344.263 4.341 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000083562318 564063408 /nfs/dbraw/zinc/06/34/08/564063408.db2.gz GKVGNCJNIAXOPV-ZUCKAHLUSA-N 0 0 349.862 4.483 50 0 EIAARN Cc1nc(CSCCC(=O)N[C@@H](C)CCCC(C)C)cs1 ZINC000045897074 564063718 /nfs/dbraw/zinc/06/37/18/564063718.db2.gz KJEVOTAKYPODEL-ZDUSSCGKSA-N 0 0 328.547 4.406 50 0 EIAARN CN(CCCOc1ccc(Cl)cc1)c1ncnc2sccc21 ZINC000083860843 564063917 /nfs/dbraw/zinc/06/39/17/564063917.db2.gz VVRXTMWDEDMGDC-UHFFFAOYSA-N 0 0 333.844 4.250 50 0 EIAARN c1ccc(SCc2cc(N3CCCC3)nc(-c3ccncc3)n2)cc1 ZINC000001383079 564064053 /nfs/dbraw/zinc/06/40/53/564064053.db2.gz VDFLPINNWTZJEA-UHFFFAOYSA-N 0 0 348.475 4.431 50 0 EIAARN COc1cc2ncnc(Nc3cccc(Cl)c3C)c2cc1OC ZINC000001386793 564064232 /nfs/dbraw/zinc/06/42/32/564064232.db2.gz ZHIWUZBOLSDWQZ-UHFFFAOYSA-N 0 0 329.787 4.352 50 0 EIAARN Cc1cccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCC3)c1 ZINC000046022645 564064477 /nfs/dbraw/zinc/06/44/77/564064477.db2.gz FVXURXIQUBFOGV-UHFFFAOYSA-N 0 0 341.418 4.332 50 0 EIAARN COC(=O)c1cc2cc(NC(=O)c3ccc(F)cc3)ccc2s1 ZINC000001392859 564064603 /nfs/dbraw/zinc/06/46/03/564064603.db2.gz CMJBBIDTNNTADS-UHFFFAOYSA-N 0 0 329.352 4.079 50 0 EIAARN O=C(NCc1ccco1)c1cccnc1SCCC(F)=C(F)F ZINC000001398631 564064854 /nfs/dbraw/zinc/06/48/54/564064854.db2.gz NXHZPCLTOGDBIE-UHFFFAOYSA-N 0 0 342.342 4.164 50 0 EIAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2ccc(Cl)cc2)c1C ZINC000046045881 564065065 /nfs/dbraw/zinc/06/50/65/564065065.db2.gz NTWMLWSLOPTZEU-UHFFFAOYSA-N 0 0 348.830 4.033 50 0 EIAARN Cc1cccc(OCC(=O)NCC(c2ccccc2)c2ccccc2)c1 ZINC000012745084 564065631 /nfs/dbraw/zinc/06/56/31/564065631.db2.gz DCFUWKRFMWNEFO-UHFFFAOYSA-N 0 0 345.442 4.322 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000084008386 564065772 /nfs/dbraw/zinc/06/57/72/564065772.db2.gz SYZGSJPHSAJXFF-UHFFFAOYSA-N 0 0 325.334 4.352 50 0 EIAARN Cc1cc(CN2CCC[C@H]2c2noc(C3CC3)n2)c2ccccc2n1 ZINC000084083431 564066245 /nfs/dbraw/zinc/06/62/45/564066245.db2.gz XFMXMXBKSOXTBY-SFHVURJKSA-N 0 0 334.423 4.141 50 0 EIAARN O=C1C[C@H](c2cccc3ccccc32)c2c(=O)oc3ccccc3c2O1 ZINC000001426884 564066778 /nfs/dbraw/zinc/06/67/78/564066778.db2.gz FUJLTSIRIILQHI-QGZVFWFLSA-N 0 0 342.350 4.387 50 0 EIAARN Fc1ccc(-n2ncc3c2ncnc3N[C@H]2CCc3ccccc32)cc1 ZINC000012751323 564067018 /nfs/dbraw/zinc/06/70/18/564067018.db2.gz KEOINVNMKATGHV-SFHVURJKSA-N 0 0 345.381 4.054 50 0 EIAARN Cc1ccc(-c2nc(CNCc3ccccc3-n3cccn3)co2)cc1 ZINC000084172064 564067132 /nfs/dbraw/zinc/06/71/32/564067132.db2.gz NZVNAYXYCNOMMJ-UHFFFAOYSA-N 0 0 344.418 4.126 50 0 EIAARN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2O)cc1OCC ZINC000012755029 564067200 /nfs/dbraw/zinc/06/72/00/564067200.db2.gz UJOVWZQELROTSZ-UHFFFAOYSA-N 0 0 349.814 4.485 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)N3CCC[C@H](C)C3)s2)cs1 ZINC000084275050 564067682 /nfs/dbraw/zinc/06/76/82/564067682.db2.gz GOHCOPCUMXBUBH-LBPRGKRZSA-N 0 0 349.525 4.164 50 0 EIAARN O=C(NCCCc1ccc(Cl)c(Cl)c1)N1CCCSCC1 ZINC000084341260 564067829 /nfs/dbraw/zinc/06/78/29/564067829.db2.gz SNBVGNYVRSMDPJ-UHFFFAOYSA-N 0 0 347.311 4.075 50 0 EIAARN CN(C)[C@H](CNC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000012765403 564067963 /nfs/dbraw/zinc/06/79/63/564067963.db2.gz JDBKYGMUPQZTRF-MRXNPFEDSA-N 0 0 337.250 4.026 50 0 EIAARN CC(C)[C@@H](Sc1ncc2ccccn21)C(=O)NC1CCCCCC1 ZINC000084409094 564068110 /nfs/dbraw/zinc/06/81/10/564068110.db2.gz MFJAFLBAQCPHJF-QGZVFWFLSA-N 0 0 345.512 4.290 50 0 EIAARN S=C(NCc1cccs1)NC1CCC(c2ccccc2)CC1 ZINC000084525483 564068437 /nfs/dbraw/zinc/06/84/37/564068437.db2.gz UKEBDQRUKBEOEI-UHFFFAOYSA-N 0 0 330.522 4.439 50 0 EIAARN S=C(NCCc1ccccc1)N[C@H]1CCc2c1cccc2Cl ZINC000084529098 564068521 /nfs/dbraw/zinc/06/85/21/564068521.db2.gz VMBQFNJKANRYDB-KRWDZBQOSA-N 0 0 330.884 4.034 50 0 EIAARN O=C(Nc1ncccc1OC(F)F)c1ccc(-c2cscn2)cc1 ZINC000087273045 564068557 /nfs/dbraw/zinc/06/85/57/564068557.db2.gz GHVXNSSVXJQANV-UHFFFAOYSA-N 0 0 347.346 4.059 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccccc3Cl)cnc21 ZINC000012769798 564068590 /nfs/dbraw/zinc/06/85/90/564068590.db2.gz VGBCGELZQQQURP-LBPRGKRZSA-N 0 0 342.830 4.157 50 0 EIAARN Clc1ccc(C2=NO[C@H](c3nc(Cc4ccccc4)no3)C2)s1 ZINC000084541497 564068624 /nfs/dbraw/zinc/06/86/24/564068624.db2.gz VLHHFXLZLCFQLU-LBPRGKRZSA-N 0 0 345.811 4.241 50 0 EIAARN O=C(CCc1cnn(-c2ccccc2)c1)O[C@H]1CCCc2ccccc21 ZINC000084573029 564068764 /nfs/dbraw/zinc/06/87/64/564068764.db2.gz ZNSYJRCLNCDKGJ-NRFANRHFSA-N 0 0 346.430 4.426 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012772425 564069042 /nfs/dbraw/zinc/06/90/42/564069042.db2.gz MAPWXQIKEDYIQH-HXUWFJFHSA-N 0 0 334.419 4.083 50 0 EIAARN O=C(NCc1cc2ccccc2[nH]1)N(CCC(F)(F)F)C1CCC1 ZINC000084637158 564069247 /nfs/dbraw/zinc/06/92/47/564069247.db2.gz XCGCAMJRSWLZOD-UHFFFAOYSA-N 0 0 339.361 4.184 50 0 EIAARN C[C@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)C1CC1 ZINC000084636396 564069252 /nfs/dbraw/zinc/06/92/52/564069252.db2.gz GMFRUSOZGOGTEK-HNNXBMFYSA-N 0 0 331.419 4.068 50 0 EIAARN C[C@@](O)(c1ccc(OCCCOc2ccccc2)cc1)C(F)(F)F ZINC000084651591 564069355 /nfs/dbraw/zinc/06/93/55/564069355.db2.gz DTGSFXNZRZTBRN-QGZVFWFLSA-N 0 0 340.341 4.304 50 0 EIAARN O=C(Cc1noc2ccccc12)Nc1ccc(Cl)c2cccnc12 ZINC000012776953 564069564 /nfs/dbraw/zinc/06/95/64/564069564.db2.gz HWRTYVLUDXTSIC-UHFFFAOYSA-N 0 0 337.766 4.211 50 0 EIAARN CC(=O)N(C)c1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000084671289 564069581 /nfs/dbraw/zinc/06/95/81/564069581.db2.gz HHYJZXSMJULPPR-UHFFFAOYSA-N 0 0 340.354 4.042 50 0 EIAARN COc1nc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc2ccccc21 ZINC000084697875 564069704 /nfs/dbraw/zinc/06/97/04/564069704.db2.gz MUWOQKSQYHCFPK-GMBSWORKSA-N 0 0 338.451 4.284 50 0 EIAARN CC(C)n1ncc2c1nc(C1CC1)cc2-c1nc(-c2ccccn2)no1 ZINC000074120937 564069943 /nfs/dbraw/zinc/06/99/43/564069943.db2.gz WJAJUUZUQGVZIZ-UHFFFAOYSA-N 0 0 346.394 4.002 50 0 EIAARN COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(F)ccc2OC)c1 ZINC000012782654 564070083 /nfs/dbraw/zinc/07/00/83/564070083.db2.gz VTQYISBAOUAIKY-SFHVURJKSA-N 0 0 345.414 4.189 50 0 EIAARN CCCn1nccc1NC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000084759135 564070102 /nfs/dbraw/zinc/07/01/02/564070102.db2.gz RZEHKICELCSIJK-PXNSSMCTSA-N 0 0 338.455 4.226 50 0 EIAARN CCN(C[C@@H]1CCCO1)c1ncnc2scc(-c3ccccc3)c21 ZINC000084774560 564070185 /nfs/dbraw/zinc/07/01/85/564070185.db2.gz WIMQCDORRKWCGN-HNNXBMFYSA-N 0 0 339.464 4.364 50 0 EIAARN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032416178 564070257 /nfs/dbraw/zinc/07/02/57/564070257.db2.gz OTBWSBUAAPVIJB-ROUUACIJSA-N 0 0 342.483 4.148 50 0 EIAARN Cc1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1C ZINC000015669577 564070406 /nfs/dbraw/zinc/07/04/06/564070406.db2.gz AFBSLVHCTHZCBF-UHFFFAOYSA-N 0 0 341.436 4.376 50 0 EIAARN CCc1ccccc1NC(=O)Nc1nnc(N2CCCC[C@@H]2C)s1 ZINC000015671714 564070458 /nfs/dbraw/zinc/07/04/58/564070458.db2.gz AAQWXOSFLTYNHY-LBPRGKRZSA-N 0 0 345.472 4.123 50 0 EIAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)NCc1ccc(F)cc1 ZINC000015671777 564070479 /nfs/dbraw/zinc/07/04/79/564070479.db2.gz UZNSLEMXPOJJPS-QGZVFWFLSA-N 0 0 329.419 4.002 50 0 EIAARN CCc1ccc(CNC(=O)c2cc3cccc4c3n2CCS4)cc1 ZINC000015682030 564070807 /nfs/dbraw/zinc/07/08/07/564070807.db2.gz IAPQCNHPYSYHLW-UHFFFAOYSA-N 0 0 336.460 4.239 50 0 EIAARN C[C@@H]1Cn2c(C(=O)NCCc3cccs3)cc3cccc(c32)S1 ZINC000015682041 564070821 /nfs/dbraw/zinc/07/08/21/564070821.db2.gz NKFGKQOFIFIODV-GFCCVEGCSA-N 0 0 342.489 4.170 50 0 EIAARN O=C(Nc1cc2c(cc1Cl)OCO2)c1c(F)cccc1Cl ZINC000032495984 564072234 /nfs/dbraw/zinc/07/22/34/564072234.db2.gz GNJXRRXXZBIWKU-UHFFFAOYSA-N 0 0 328.126 4.114 50 0 EIAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccncc1 ZINC000005073035 564072284 /nfs/dbraw/zinc/07/22/84/564072284.db2.gz QUCXUDXKHSAZBZ-UHFFFAOYSA-N 0 0 347.399 4.316 50 0 EIAARN CN1C(=O)c2ccccc2C12c1ccccc1CCc1ccccc12 ZINC000005208804 564072383 /nfs/dbraw/zinc/07/23/83/564072383.db2.gz NGMFSGAQSFCZQT-UHFFFAOYSA-N 0 0 325.411 4.163 50 0 EIAARN Cc1ccc(Nc2c(=O)c(=O)c2-c2ccc3c(c2)CCCC3)cc1C ZINC000015728236 564072474 /nfs/dbraw/zinc/07/24/74/564072474.db2.gz UEYCCIAZGODWEE-UHFFFAOYSA-N 0 0 331.415 4.189 50 0 EIAARN Cc1cc(NC(=O)c2oc3ccc(Br)cc3c2C)no1 ZINC000012808482 564072589 /nfs/dbraw/zinc/07/25/89/564072589.db2.gz WCASMPGKTMEHCC-UHFFFAOYSA-N 0 0 335.157 4.052 50 0 EIAARN O=C(NCc1cccnc1)c1ccc(-n2ccc3ccccc32)s1 ZINC000015732307 564072707 /nfs/dbraw/zinc/07/27/07/564072707.db2.gz FSJZGRVFWWIPCN-UHFFFAOYSA-N 0 0 333.416 4.017 50 0 EIAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC[C@@H](C)C3)c2c1 ZINC000001459722 564072973 /nfs/dbraw/zinc/07/29/73/564072973.db2.gz KQCDWPZOHIDADL-MRXNPFEDSA-N 0 0 345.446 4.477 50 0 EIAARN Cc1cnc(C(=O)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cn1 ZINC000006052805 564073080 /nfs/dbraw/zinc/07/30/80/564073080.db2.gz FAEBGDQTSJGFEC-UHFFFAOYSA-N 0 0 348.446 4.472 50 0 EIAARN COc1ccccc1-n1cnnc1S[C@@H](C)c1ccc(F)cc1 ZINC000006082000 564073659 /nfs/dbraw/zinc/07/36/59/564073659.db2.gz RIFHNPTURUECDS-LBPRGKRZSA-N 0 0 329.400 4.268 50 0 EIAARN C[C@H](OC(=O)c1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 ZINC000006085469 564073727 /nfs/dbraw/zinc/07/37/27/564073727.db2.gz IOZGJCNRWBZRIH-INIZCTEOSA-N 0 0 347.414 4.044 50 0 EIAARN O=C(C[C@@H](c1cccc(F)c1)n1cccc1)Nc1ccccc1F ZINC000015771191 564073755 /nfs/dbraw/zinc/07/37/55/564073755.db2.gz FZDMUUBWTHDCNN-SFHVURJKSA-N 0 0 326.346 4.385 50 0 EIAARN Cc1c(C[NH2+]CCC(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776845 564073880 /nfs/dbraw/zinc/07/38/80/564073880.db2.gz OUPOAQMEKHKCCZ-UHFFFAOYSA-N 0 0 346.446 4.126 50 0 EIAARN O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cc(Cl)ccc1Cl ZINC000085557849 564073936 /nfs/dbraw/zinc/07/39/36/564073936.db2.gz PTNAHJDBPDGTSS-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN Cc1csc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)c1 ZINC000085562183 564074034 /nfs/dbraw/zinc/07/40/34/564074034.db2.gz JFRLBSQMVWYFNE-OAHLLOKOSA-N 0 0 349.502 4.191 50 0 EIAARN O=c1c2c3c(sc2ncn1Cc1cccc2ccccc21)CCC3 ZINC000006111449 564074315 /nfs/dbraw/zinc/07/43/15/564074315.db2.gz CZBZHYIDWSAGDC-UHFFFAOYSA-N 0 0 332.428 4.148 50 0 EIAARN Cc1sc2ncnc(S[C@@H](C)C(=O)NC3CCCCC3)c2c1C ZINC000006113328 564074357 /nfs/dbraw/zinc/07/43/57/564074357.db2.gz SAFLFEZPVKAAPK-LBPRGKRZSA-N 0 0 349.525 4.238 50 0 EIAARN Cc1sc2ncnc(S[C@H](C)C(=O)NC3CCCCC3)c2c1C ZINC000006113329 564074378 /nfs/dbraw/zinc/07/43/78/564074378.db2.gz SAFLFEZPVKAAPK-GFCCVEGCSA-N 0 0 349.525 4.238 50 0 EIAARN C[C@H](Sc1cccc(O)c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000185683300 564074502 /nfs/dbraw/zinc/07/45/02/564074502.db2.gz RINRAXJFCGPUTC-SWLSCSKDSA-N 0 0 333.478 4.298 50 0 EIAARN CCc1ccc([C@H](Nc2cc(-n3ccnc3)ncn2)C(C)(C)C)o1 ZINC000085707101 564074833 /nfs/dbraw/zinc/07/48/33/564074833.db2.gz OCVVNLPASZKADN-KRWDZBQOSA-N 0 0 325.416 4.017 50 0 EIAARN CCOc1c(Cl)cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC ZINC000015796853 564075167 /nfs/dbraw/zinc/07/51/67/564075167.db2.gz IHIYZBGARMACSM-FZMZJTMJSA-N 0 0 325.836 4.056 50 0 EIAARN COCCn1ccc2ccc(C(=O)Nc3cccc4[nH]ccc43)cc21 ZINC000085878998 564075180 /nfs/dbraw/zinc/07/51/80/564075180.db2.gz GABGEBHTXCATOM-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 biogenic EIAARN CSc1ccc(NCc2nnc(Cc3ccccc3)o2)cc1F ZINC000086211076 564075369 /nfs/dbraw/zinc/07/53/69/564075369.db2.gz IXDNEQFDEADUIC-UHFFFAOYSA-N 0 0 329.400 4.134 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)c1cc2ccccc2o1 ZINC000012852828 564075427 /nfs/dbraw/zinc/07/54/27/564075427.db2.gz VKVTZVAUEKNKTL-LLVKDONJSA-N 0 0 347.773 4.482 50 0 EIAARN O[C@H]1CCCC[C@@H]1Oc1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000086278387 564075480 /nfs/dbraw/zinc/07/54/80/564075480.db2.gz JVCJQLDNNSNLMV-ROUUACIJSA-N 0 0 344.480 4.315 50 0 EIAARN C[C@H](c1ccccn1)N(C(=O)NC[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000086396435 564075627 /nfs/dbraw/zinc/07/56/27/564075627.db2.gz QYLCXFPIMIRXQI-SZVBFZGTSA-N 0 0 335.451 4.120 50 0 EIAARN COc1ccc2cc(CN(C)C(=O)COc3ccccc3C)ccc2c1 ZINC000012858563 564075681 /nfs/dbraw/zinc/07/56/81/564075681.db2.gz XSELTSWDCTUYGR-UHFFFAOYSA-N 0 0 349.430 4.194 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(C)c1 ZINC000012866251 564075866 /nfs/dbraw/zinc/07/58/66/564075866.db2.gz DHOVLDNJWMXLHO-HNNXBMFYSA-N 0 0 343.448 4.431 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)Oc2ccc(F)cc2Cl)cc1 ZINC000000399648 564075960 /nfs/dbraw/zinc/07/59/60/564075960.db2.gz DACGQNOCOWSBFK-UHFFFAOYSA-N 0 0 337.734 4.267 50 0 EIAARN CC[C@@H](C)CCCOC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000043198772 564076184 /nfs/dbraw/zinc/07/61/84/564076184.db2.gz CVDVLBUUDPPNJU-CZUORRHYSA-N 0 0 332.362 4.460 50 0 EIAARN Cc1nc(COc2cccc(C(=O)Nc3ccccc3F)c2)cs1 ZINC000012870327 564076364 /nfs/dbraw/zinc/07/63/64/564076364.db2.gz ZTQJAZLZGBWALV-UHFFFAOYSA-N 0 0 342.395 4.422 50 0 EIAARN Cc1oc(C)c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1C ZINC000012872947 564076551 /nfs/dbraw/zinc/07/65/51/564076551.db2.gz VGXOTSDHTPLHBY-UHFFFAOYSA-N 0 0 327.302 4.398 50 0 EIAARN CN(C)c1ccc(C2=NNC(c3cccs3)=Nc3ccccc32)cc1 ZINC000006135815 564076723 /nfs/dbraw/zinc/07/67/23/564076723.db2.gz GTGWJSZDLHXBBO-UHFFFAOYSA-N 0 0 346.459 4.248 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1OC ZINC000006170805 564077217 /nfs/dbraw/zinc/07/72/17/564077217.db2.gz XCKFLHBZHFTKOT-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)CSc2nc3ncccc3o2)cc1 ZINC000015867763 564077281 /nfs/dbraw/zinc/07/72/81/564077281.db2.gz UELMPOBOAQCRHV-UHFFFAOYSA-N 0 0 341.436 4.251 50 0 EIAARN COC(=O)c1cc(NC(=O)[C@@H]2CCCc3ccccc32)ccc1Cl ZINC000012893729 564077592 /nfs/dbraw/zinc/07/75/92/564077592.db2.gz LGVLQKMUFGZCAO-OAHLLOKOSA-N 0 0 343.810 4.185 50 0 EIAARN CC(C)c1ccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000012913483 564077980 /nfs/dbraw/zinc/07/79/80/564077980.db2.gz TZUBGIYRPVHHGZ-IQMFZBJNSA-N 0 0 329.465 4.086 50 0 EIAARN CSc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1 ZINC000012917477 564078126 /nfs/dbraw/zinc/07/81/26/564078126.db2.gz FYYXBPPNZHIDMM-UHFFFAOYSA-N 0 0 339.420 4.383 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(F)c3)c12 ZINC000012917474 564078142 /nfs/dbraw/zinc/07/81/42/564078142.db2.gz LRJSCLXGEOEPFA-UHFFFAOYSA-N 0 0 325.343 4.108 50 0 EIAARN Cc1ccc([C@@H]2CCCN2C(=O)c2cc(F)cc3nc[nH]c32)cc1C ZINC000063816427 564078777 /nfs/dbraw/zinc/07/87/77/564078777.db2.gz RBBMFQOUSFBYHQ-SFHVURJKSA-N 0 0 337.398 4.296 50 0 EIAARN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Nc2ccc(O)cc2)c1 ZINC000186603062 564078973 /nfs/dbraw/zinc/07/89/73/564078973.db2.gz NGKAIAVODSALJK-XMMPIXPASA-N 0 0 346.452 4.083 50 0 EIAARN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012933502 564079102 /nfs/dbraw/zinc/07/91/02/564079102.db2.gz ORDNCZIQCKSMDD-CQSZACIVSA-N 0 0 340.423 4.455 50 0 EIAARN CN(Cc1nccs1)C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 ZINC000074879969 564079542 /nfs/dbraw/zinc/07/95/42/564079542.db2.gz ASCGWQLCTZNMGO-QGZVFWFLSA-N 0 0 341.436 4.182 50 0 EIAARN COCc1nc(CN[C@@H](c2ccccc2F)C2CCCC2)cs1 ZINC000088765603 564079837 /nfs/dbraw/zinc/07/98/37/564079837.db2.gz BBDPJLMDPZRAMU-GOSISDBHSA-N 0 0 334.460 4.450 50 0 EIAARN CSCc1nnc(S[C@H](C)Cc2nc3ccccc3s2)o1 ZINC000075105918 564080083 /nfs/dbraw/zinc/08/00/83/564080083.db2.gz JHRMNNSYCHTOPX-SECBINFHSA-N 0 0 337.495 4.266 50 0 EIAARN Cc1nc(C)c(NC(=O)Cc2csc(-c3ccsc3)n2)s1 ZINC000075107234 564080149 /nfs/dbraw/zinc/08/01/49/564080149.db2.gz WCXXIUWLMAZKBW-UHFFFAOYSA-N 0 0 335.479 4.126 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000075108213 564080226 /nfs/dbraw/zinc/08/02/26/564080226.db2.gz VIMWLXBDGDXBMK-QZTJIDSGSA-N 0 0 346.471 4.045 50 0 EIAARN C[C@H](C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccsc1 ZINC000075142968 564080601 /nfs/dbraw/zinc/08/06/01/564080601.db2.gz AYOLVKYJIDLDSM-MEDUHNTESA-N 0 0 341.436 4.218 50 0 EIAARN C[C@H](C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccsc1 ZINC000075142962 564080611 /nfs/dbraw/zinc/08/06/11/564080611.db2.gz AYOLVKYJIDLDSM-ZBEGNZNMSA-N 0 0 341.436 4.218 50 0 EIAARN CC[C@H](O)c1ccc(OCc2ncc(-c3ccccc3OC)o2)cc1 ZINC000089126981 564081733 /nfs/dbraw/zinc/08/17/33/564081733.db2.gz WJQSWBVHRISHAK-KRWDZBQOSA-N 0 0 339.391 4.373 50 0 EIAARN CCOC(=O)c1c(=O)[nH]c2c(Cl)cccc2c1NC1CCCCC1 ZINC000075343942 564081944 /nfs/dbraw/zinc/08/19/44/564081944.db2.gz XALXCKJTIYDOKL-UHFFFAOYSA-N 0 0 348.830 4.103 50 0 EIAARN CC(=O)c1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)cc1 ZINC000346533684 564082140 /nfs/dbraw/zinc/08/21/40/564082140.db2.gz VGFMHDYWBBKPOR-UHFFFAOYSA-N 0 0 336.313 4.116 50 0 EIAARN CC1=C(C)[C@@H](c2cn(C)c3ccccc23)N(CCCOC(C)C)C1=O ZINC000006202309 564082304 /nfs/dbraw/zinc/08/23/04/564082304.db2.gz JLVAZEHYZWDJKV-FQEVSTJZSA-N 0 0 340.467 4.213 50 0 EIAARN CC(C)Oc1ccc(C(=O)NCc2ccc(-c3ccoc3)o2)cc1 ZINC000575610510 564082571 /nfs/dbraw/zinc/08/25/71/564082571.db2.gz OYUCPFHKNCGPNZ-UHFFFAOYSA-N 0 0 325.364 4.257 50 0 EIAARN O=C(NC1CCCCCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000026538212 564082876 /nfs/dbraw/zinc/08/28/76/564082876.db2.gz OCYKCPQJSLFDLY-UHFFFAOYSA-N 0 0 329.469 4.378 50 0 EIAARN CC(C)c1noc([C@@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000024667951 564082900 /nfs/dbraw/zinc/08/29/00/564082900.db2.gz XOMCAFQNIFMDKF-ZIAGYGMSSA-N 0 0 340.427 4.275 50 0 EIAARN O=C(OCc1coc(-c2ccccc2)n1)c1cccc(OC(F)F)c1 ZINC000035337416 564082964 /nfs/dbraw/zinc/08/29/64/564082964.db2.gz LQTWWEIJIMCRKS-UHFFFAOYSA-N 0 0 345.301 4.300 50 0 EIAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000006229187 564083082 /nfs/dbraw/zinc/08/30/82/564083082.db2.gz DWHCSALZYNYDPF-ATVHPVEESA-N 0 0 333.318 4.430 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)N1CCc2sc(Cl)cc2C1 ZINC000575615172 564083403 /nfs/dbraw/zinc/08/34/03/564083403.db2.gz AZWYRPXAJHHYNO-UHFFFAOYSA-N 0 0 344.238 4.321 50 0 EIAARN CC(C)(C)C1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000006248656 564083264 /nfs/dbraw/zinc/08/32/64/564083264.db2.gz JMXHZNMDKQSYOX-UHFFFAOYSA-N 0 0 344.499 4.314 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)c(C)c1 ZINC000006271959 564083483 /nfs/dbraw/zinc/08/34/83/564083483.db2.gz VQTIPLLFYBZMJF-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN O=C(CCc1cccc(Cl)c1)N1CCC(Oc2ccsc2)CC1 ZINC000575618002 564083620 /nfs/dbraw/zinc/08/36/20/564083620.db2.gz CYWCWVHZAPDFRB-UHFFFAOYSA-N 0 0 349.883 4.404 50 0 EIAARN O=C(CCc1cccc(Cl)c1)NCc1cncc(-c2ccoc2)c1 ZINC000575620002 564083818 /nfs/dbraw/zinc/08/38/18/564083818.db2.gz IPOKDSSXCRNEFE-UHFFFAOYSA-N 0 0 340.810 4.244 50 0 EIAARN C[C@@H](Cc1csc2ccccc12)NC(=O)NCc1cccs1 ZINC000575620472 564083846 /nfs/dbraw/zinc/08/38/46/564083846.db2.gz KIYUDVNZFKVABG-LBPRGKRZSA-N 0 0 330.478 4.393 50 0 EIAARN CC(=O)N(c1nc(CN2CCC=Cc3ccccc32)cs1)C1CC1 ZINC000191297996 564085644 /nfs/dbraw/zinc/08/56/44/564085644.db2.gz MBWUSKNJOXSIGG-UHFFFAOYSA-N 0 0 339.464 4.082 50 0 EIAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(Cl)c3)c12 ZINC000013006527 564086437 /nfs/dbraw/zinc/08/64/37/564086437.db2.gz FWTDVSFTIQVYAD-UHFFFAOYSA-N 0 0 342.830 4.306 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 ZINC000013011162 564086521 /nfs/dbraw/zinc/08/65/21/564086521.db2.gz BNBSYIZJIAMVMI-ZIAGYGMSSA-N 0 0 346.858 4.432 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-c3cccs3)nc2)cc1 ZINC000075502284 564087136 /nfs/dbraw/zinc/08/71/36/564087136.db2.gz KXDFULVEZPVCRV-CYBMUJFWSA-N 0 0 338.432 4.310 50 0 EIAARN Cc1nc2ccc(NC(=O)c3cncc(Br)c3)cc2s1 ZINC000002627711 564087496 /nfs/dbraw/zinc/08/74/96/564087496.db2.gz MALHKRCDHFAKIM-UHFFFAOYSA-N 0 0 348.225 4.015 50 0 EIAARN O=c1c2cc(-c3ccccc3)sc2nnn1CCCc1ccccc1 ZINC000001785062 564087589 /nfs/dbraw/zinc/08/75/89/564087589.db2.gz GSFWZINZBGXJDN-UHFFFAOYSA-N 0 0 347.443 4.153 50 0 EIAARN C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000239331258 564088081 /nfs/dbraw/zinc/08/80/81/564088081.db2.gz KJKARWKNWLOOHS-IPELMVKDSA-N 0 0 341.476 4.204 50 0 EIAARN O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@@H]2C(=O)N1c1ccccc1Cl ZINC000239377567 564088108 /nfs/dbraw/zinc/08/81/08/564088108.db2.gz OCGIXRYPQDPEGM-DTDBQYNISA-N 0 0 341.838 4.356 50 0 EIAARN C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000241171098 564088309 /nfs/dbraw/zinc/08/83/09/564088309.db2.gz KEDBRAGCGPOSJY-BFYDXBDKSA-N 0 0 328.456 4.121 50 0 EIAARN COCC(=O)N(c1nc2ccccc2s1)c1ccc(C)cc1C ZINC000064341348 564088558 /nfs/dbraw/zinc/08/85/58/564088558.db2.gz QWUSETPVWBWXOD-UHFFFAOYSA-N 0 0 326.421 4.224 50 0 EIAARN Cc1cc(C[S@](=O)Cc2ncoc2C(C)C)c2ccccc2n1 ZINC000092251995 564088892 /nfs/dbraw/zinc/08/88/92/564088892.db2.gz QQZHQBGBFXVEQF-HSZRJFAPSA-N 0 0 328.437 4.104 50 0 EIAARN O=C(Nc1cccc2[nH]cnc21)c1cccc(OCc2ccccc2)c1 ZINC000075566860 564089563 /nfs/dbraw/zinc/08/95/63/564089563.db2.gz YIOVFFFNANKSCD-UHFFFAOYSA-N 0 0 343.386 4.394 50 0 EIAARN CCn1cnnc1-c1cccc(NCc2csc(C(C)(C)C)n2)c1 ZINC000089310177 564089661 /nfs/dbraw/zinc/08/96/61/564089661.db2.gz OARHFZNERZRRRB-UHFFFAOYSA-N 0 0 341.484 4.331 50 0 EIAARN Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000001943857 564090325 /nfs/dbraw/zinc/09/03/25/564090325.db2.gz IGEAVSGKASBSPS-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN CCc1cc2c(cc1OC)oc(C)c(-c1ccc3c(c1)OCO3)c2=O ZINC000000178206 564090451 /nfs/dbraw/zinc/09/04/51/564090451.db2.gz DDDONTSVHFXOQR-UHFFFAOYSA-N 0 0 338.359 4.068 50 0 biogenic EIAARN CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1nc(C)cs1)c2=O ZINC000000517773 564090546 /nfs/dbraw/zinc/09/05/46/564090546.db2.gz TYTWXYSDYBZJEV-UHFFFAOYSA-N 0 0 343.404 4.021 50 0 biogenic EIAARN COc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1-c1ccccn1 ZINC000089466099 564090682 /nfs/dbraw/zinc/09/06/82/564090682.db2.gz KERKMFHUCZQRHT-SFHVURJKSA-N 0 0 348.402 4.328 50 0 EIAARN COc1cc(N=NC(C)c2ccc(O)c(C)c2)nc(-c2ccccc2)n1 ZINC000252598192 564090684 /nfs/dbraw/zinc/09/06/84/564090684.db2.gz CXXHZORKUDMCCW-UHFFFAOYSA-N 0 0 348.406 4.002 50 0 EIAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCCC1 ZINC000006495583 564090833 /nfs/dbraw/zinc/09/08/33/564090833.db2.gz RYVWMTPCLNFVBZ-UHFFFAOYSA-N 0 0 344.436 4.100 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000013961292 564091042 /nfs/dbraw/zinc/09/10/42/564091042.db2.gz BWVXCOSPEUYSIG-UHFFFAOYSA-N 0 0 332.325 4.159 50 0 EIAARN Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)nc2c1 ZINC000006506749 564091149 /nfs/dbraw/zinc/09/11/49/564091149.db2.gz RDAALDMDZZYDFI-JTQLQIEISA-N 0 0 346.843 4.039 50 0 EIAARN CCCCCCc1cc2c(C)c(CC(=O)OCC)c(=O)oc2cc1O ZINC000002024602 564091891 /nfs/dbraw/zinc/09/18/91/564091891.db2.gz PBOCXVFUSQHBHF-UHFFFAOYSA-N 0 0 346.423 4.035 50 0 biogenic EIAARN Cc1cc(NC(=O)CCc2ccncc2)ccc1Oc1ccncc1 ZINC000192591141 564092089 /nfs/dbraw/zinc/09/20/89/564092089.db2.gz NLTBEFMIKHKRNN-UHFFFAOYSA-N 0 0 333.391 4.149 50 0 EIAARN O=C(CCC(=O)c1cccs1)N[C@H]1CCSc2ccccc21 ZINC000006558761 564092093 /nfs/dbraw/zinc/09/20/93/564092093.db2.gz VCRKSPHKFRDGSN-ZDUSSCGKSA-N 0 0 331.462 4.064 50 0 EIAARN CCCCCCc1cc2cc(-c3csc(N)n3)c(=O)oc2cc1O ZINC000002030239 564092775 /nfs/dbraw/zinc/09/27/75/564092775.db2.gz MJUZCMJQQURJNS-UHFFFAOYSA-N 0 0 344.436 4.327 50 0 EIAARN Cc1nc(CN(C)[C@H](C)c2sc(-c3ccccc3)nc2C)no1 ZINC000089562797 564092865 /nfs/dbraw/zinc/09/28/65/564092865.db2.gz WEGNHPRHNSTNQD-GFCCVEGCSA-N 0 0 328.441 4.003 50 0 EIAARN C[C@@H]1CCc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2C1 ZINC000006607843 564093217 /nfs/dbraw/zinc/09/32/17/564093217.db2.gz BUBYNBILEUADEX-GFCCVEGCSA-N 0 0 339.464 4.321 50 0 EIAARN CC(C)C[C@H](C)NC(=O)c1ccccc1C(=O)N[C@@H](C)CC(C)C ZINC000005380747 564093253 /nfs/dbraw/zinc/09/32/53/564093253.db2.gz CZQFDOWOGQWTSG-HOTGVXAUSA-N 0 0 332.488 4.015 50 0 EIAARN CCOc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000006609580 564093264 /nfs/dbraw/zinc/09/32/64/564093264.db2.gz GYXRMRCRANITFQ-UHFFFAOYSA-N 0 0 338.234 4.365 50 0 EIAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)c1cc(Cl)c[nH]1 ZINC000426359362 564093459 /nfs/dbraw/zinc/09/34/59/564093459.db2.gz BKTIOFKSVXYIQI-UHFFFAOYSA-N 0 0 345.855 4.276 50 0 EIAARN CC(C)N(C(=O)c1ccccc1-c1ccc2oc(=O)[nH]c2c1)C(C)C ZINC000426424409 564093722 /nfs/dbraw/zinc/09/37/22/564093722.db2.gz VXSAIGGGGSGAHZ-UHFFFAOYSA-N 0 0 338.407 4.459 50 0 EIAARN Cc1ccc(-c2noc(CC(=O)N[C@@H](C)c3ccc(C)cc3C)n2)cc1 ZINC000064612448 564094534 /nfs/dbraw/zinc/09/45/34/564094534.db2.gz QDGHVPDPYDWEFY-INIZCTEOSA-N 0 0 349.434 4.082 50 0 EIAARN COc1cccc(CNc2ncnc3c(-c4ccc(C)cc4)noc32)c1 ZINC000064658397 564094706 /nfs/dbraw/zinc/09/47/06/564094706.db2.gz ZIPZWKDNJPAIGT-UHFFFAOYSA-N 0 0 346.390 4.214 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NCCc3ccccc3C)cc3cccc(c32)O1 ZINC000064657948 564094819 /nfs/dbraw/zinc/09/48/19/564094819.db2.gz ISWFNHQYZSVIEZ-SFHVURJKSA-N 0 0 348.446 4.093 50 0 EIAARN Cc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccc(Cl)cc1 ZINC000064667235 564094939 /nfs/dbraw/zinc/09/49/39/564094939.db2.gz WBJUZVPGWCIXNI-INIZCTEOSA-N 0 0 337.810 4.308 50 0 EIAARN Cc1ccc(C)c([C@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)c1 ZINC000064667259 564094985 /nfs/dbraw/zinc/09/49/85/564094985.db2.gz WGIYPXFBBIAQNZ-QGZVFWFLSA-N 0 0 335.382 4.102 50 0 EIAARN Cn1nccc1-c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)no1 ZINC000064667929 564094996 /nfs/dbraw/zinc/09/49/96/564094996.db2.gz WFGIETSNTDBNSG-UHFFFAOYSA-N 0 0 336.326 4.069 50 0 EIAARN O=C(N[C@H]1CCSc2ccccc21)c1ccc2ncsc2c1 ZINC000006649160 564095086 /nfs/dbraw/zinc/09/50/86/564095086.db2.gz ZVNYDWAIQLPYJQ-ZDUSSCGKSA-N 0 0 326.446 4.263 50 0 EIAARN CCCNC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000064675692 564095128 /nfs/dbraw/zinc/09/51/28/564095128.db2.gz LVGDFAOBHHAMIH-UHFFFAOYSA-N 0 0 341.842 4.114 50 0 EIAARN CCCNC(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)cs1 ZINC000064677208 564095260 /nfs/dbraw/zinc/09/52/60/564095260.db2.gz PLTPXXPSDKOBNJ-UHFFFAOYSA-N 0 0 339.464 4.113 50 0 EIAARN COc1cccc(C(=O)N2CCC(CCOc3ccccc3)CC2)c1 ZINC000064678013 564095327 /nfs/dbraw/zinc/09/53/27/564095327.db2.gz IAKAGIRJURBWMI-UHFFFAOYSA-N 0 0 339.435 4.017 50 0 EIAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc2c(c1)CCC2 ZINC000006654113 564095521 /nfs/dbraw/zinc/09/55/21/564095521.db2.gz KWIJUHVZODMNCB-UHFFFAOYSA-N 0 0 331.847 4.242 50 0 EIAARN O=C(N[C@H](c1nc2ccccc2[nH]1)c1ccccc1)c1cccs1 ZINC000006659583 564095571 /nfs/dbraw/zinc/09/55/71/564095571.db2.gz FKQFJKOMDFUBEH-KRWDZBQOSA-N 0 0 333.416 4.144 50 0 EIAARN O=C(/C=C/c1ccccc1Cl)Nc1nonc1-c1cccs1 ZINC000006670105 564095766 /nfs/dbraw/zinc/09/57/66/564095766.db2.gz HTDCJJSCRKIPGT-BQYQJAHWSA-N 0 0 331.784 4.103 50 0 EIAARN COc1c2cc(F)ccc2sc1C(=O)NCc1ccccc1C ZINC000064756481 564095950 /nfs/dbraw/zinc/09/59/50/564095950.db2.gz AHYGUVPTLRNMJK-UHFFFAOYSA-N 0 0 329.396 4.287 50 0 EIAARN CC(C)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000006705470 564096267 /nfs/dbraw/zinc/09/62/67/564096267.db2.gz PPSJBXSSNZKHSE-IBGZPJMESA-N 0 0 340.448 4.060 50 0 EIAARN CN(C)c1cccc(-c2nc3cc(NC(=O)C4CCC4)ccc3o2)c1 ZINC000006710474 564096274 /nfs/dbraw/zinc/09/62/74/564096274.db2.gz MNCAMXKRZQIIGV-UHFFFAOYSA-N 0 0 335.407 4.299 50 0 EIAARN c1nc2cc3c(cc2n1CCOc1cccc2ccccc21)OCCO3 ZINC000064794876 564096276 /nfs/dbraw/zinc/09/62/76/564096276.db2.gz KHFISGFEGPQKNU-UHFFFAOYSA-N 0 0 346.386 4.040 50 0 EIAARN O=C(C1=NO[C@@H](c2ccccc2)C1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000064809116 564096361 /nfs/dbraw/zinc/09/63/61/564096361.db2.gz VVMZJCHWWNYQGQ-LEWJYISDSA-N 0 0 346.430 4.183 50 0 EIAARN COc1ccc(Nc2c(-c3ccc(C)cc3)nc3ncccn32)cc1 ZINC000006729123 564096550 /nfs/dbraw/zinc/09/65/50/564096550.db2.gz ISMXCDWOGUFFSA-UHFFFAOYSA-N 0 0 330.391 4.457 50 0 EIAARN CCCn1nnc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc21 ZINC000064818557 564096554 /nfs/dbraw/zinc/09/65/54/564096554.db2.gz BFXFTFXDWJFDBQ-UHFFFAOYSA-N 0 0 348.328 4.112 50 0 EIAARN CCCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O ZINC000006737200 564096660 /nfs/dbraw/zinc/09/66/60/564096660.db2.gz GTYVBPFXCDEPRO-UHFFFAOYSA-N 0 0 346.789 4.097 50 0 EIAARN CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000006743456 564096882 /nfs/dbraw/zinc/09/68/82/564096882.db2.gz VCEMBSASRRBMIN-UHFFFAOYSA-N 0 0 349.478 4.242 50 0 EIAARN Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccco2)c1C ZINC000006747367 564096898 /nfs/dbraw/zinc/09/68/98/564096898.db2.gz UHLCKRLKMTXHBL-UHFFFAOYSA-N 0 0 339.391 4.097 50 0 EIAARN O=C(COc1ccccc1)N(Cc1ccco1)Cc1ccccc1F ZINC000006747632 564096920 /nfs/dbraw/zinc/09/69/20/564096920.db2.gz IDFBEFKEIGCBRJ-UHFFFAOYSA-N 0 0 339.366 4.027 50 0 EIAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1nonc1-c1cccs1 ZINC000006755169 564097233 /nfs/dbraw/zinc/09/72/33/564097233.db2.gz YMQUFEVLORZULR-UHFFFAOYSA-N 0 0 339.376 4.413 50 0 EIAARN COCc1c(C(=O)Nc2ccc(OC)cc2)sc2cccc(F)c21 ZINC000006789024 564097847 /nfs/dbraw/zinc/09/78/47/564097847.db2.gz QIIFTMDHIRPBKA-UHFFFAOYSA-N 0 0 345.395 4.448 50 0 EIAARN CSc1ccccc1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000006790684 564097967 /nfs/dbraw/zinc/09/79/67/564097967.db2.gz AWWSNJZVJBCJKE-UHFFFAOYSA-N 0 0 341.461 4.103 50 0 EIAARN CC(C)c1ccc(-c2c(=O)c(=O)c2N2c3ccccc3C[C@H]2C)cc1 ZINC000006793421 564098013 /nfs/dbraw/zinc/09/80/13/564098013.db2.gz IAIHTYVDOCBEHX-CQSZACIVSA-N 0 0 331.415 4.156 50 0 EIAARN COc1ccc2c(c1)n(C)c(C(=O)[O-])c2C[NH2+]C1CCCCCCC1 ZINC000006794864 564098105 /nfs/dbraw/zinc/09/81/05/564098105.db2.gz OEPXERCQJNKVLI-UHFFFAOYSA-N 0 0 344.455 4.088 50 0 EIAARN Cn1c2ccccc2c(C[NH2+][C@@H]2CCCc3ccccc32)c1C(=O)[O-] ZINC000006803477 564098289 /nfs/dbraw/zinc/09/82/89/564098289.db2.gz KLXBPMSVRWAQDG-GOSISDBHSA-N 0 0 334.419 4.044 50 0 EIAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1cc(C)cc(C)c1 ZINC000006815986 564098688 /nfs/dbraw/zinc/09/86/88/564098688.db2.gz XKBQGZPWVJDSGL-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN O=C(Nc1ccc(F)cc1F)c1noc2c1CSc1ccccc1-2 ZINC000006817356 564098709 /nfs/dbraw/zinc/09/87/09/564098709.db2.gz IVYSFIZDMCWLDE-UHFFFAOYSA-N 0 0 344.342 4.478 50 0 EIAARN CCn1cc(C(=O)Oc2ccc(F)cc2Cl)c2ccccc2c1=O ZINC000064977232 564098830 /nfs/dbraw/zinc/09/88/30/564098830.db2.gz PBMXGBRXPRRJBJ-UHFFFAOYSA-N 0 0 345.757 4.033 50 0 EIAARN Cc1nc2ccc(NC(=O)COc3ccc4c(c3)CCC4)cc2s1 ZINC000006832391 564099231 /nfs/dbraw/zinc/09/92/31/564099231.db2.gz YCWVMYWFLXJJIX-UHFFFAOYSA-N 0 0 338.432 4.111 50 0 EIAARN CC(=O)Nc1ccc(C2(C(=O)N3CCC[C@H](C)C3)CCCCC2)cc1 ZINC000065027456 564099661 /nfs/dbraw/zinc/09/96/61/564099661.db2.gz YEZRCCJJWNVOGY-INIZCTEOSA-N 0 0 342.483 4.105 50 0 EIAARN Cc1ccccc1Cn1cc(CCC(=O)NC(C)C)c2ccccc21 ZINC000006858294 564099671 /nfs/dbraw/zinc/09/96/71/564099671.db2.gz CVZJYKDRYBQHAX-UHFFFAOYSA-N 0 0 334.463 4.455 50 0 EIAARN CCCNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000006858295 564099685 /nfs/dbraw/zinc/09/96/85/564099685.db2.gz BLEKCXRRKNOQDU-UHFFFAOYSA-N 0 0 334.463 4.457 50 0 EIAARN Cc1ccccc1Cn1cc(CCC(=O)NC2CC2)c2ccccc21 ZINC000006858299 564099693 /nfs/dbraw/zinc/09/96/93/564099693.db2.gz TVRCSXXSQRXZJS-UHFFFAOYSA-N 0 0 332.447 4.209 50 0 EIAARN Cc1cccc(NC(=O)CSc2ccc(-c3cccs3)nn2)c1 ZINC000006858753 564099757 /nfs/dbraw/zinc/09/97/57/564099757.db2.gz RTBQOVXFAZKYJJ-UHFFFAOYSA-N 0 0 341.461 4.244 50 0 EIAARN COC(=O)c1cc(Nc2ccc(C)c(C)c2)c2cccc(OC)c2n1 ZINC000065033648 564099897 /nfs/dbraw/zinc/09/98/97/564099897.db2.gz KTUWITMFLXCUKW-UHFFFAOYSA-N 0 0 336.391 4.390 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c(C)c1 ZINC000169755472 564100165 /nfs/dbraw/zinc/10/01/65/564100165.db2.gz LGEAOBLGOUYTGF-UHFFFAOYSA-N 0 0 346.434 4.151 50 0 EIAARN O=C1C[C@@H](c2noc(-c3cccc(Cl)c3)n2)CN1C1CCCCC1 ZINC000169762190 564100467 /nfs/dbraw/zinc/10/04/67/564100467.db2.gz KXLFUIJIJJUHJO-CYBMUJFWSA-N 0 0 345.830 4.039 50 0 EIAARN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000065071134 564100555 /nfs/dbraw/zinc/10/05/55/564100555.db2.gz HIQZEFLPQMCSBM-CQSZACIVSA-N 0 0 348.402 4.066 50 0 EIAARN CC1(C)Cc2nc(NC(=O)CC(C3CC3)C3CC3)sc2C(=O)C1 ZINC000065065866 564100578 /nfs/dbraw/zinc/10/05/78/564100578.db2.gz CERMOSZOZZKMFC-UHFFFAOYSA-N 0 0 332.469 4.063 50 0 EIAARN CCN(Cc1ccccc1)C(=O)c1c2c(nc3ccccc31)CCC2 ZINC000006881525 564100584 /nfs/dbraw/zinc/10/05/84/564100584.db2.gz 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564110184 /nfs/dbraw/zinc/11/01/84/564110184.db2.gz PBXPSIRSRXDOOY-UHFFFAOYSA-N 0 0 340.810 4.097 50 0 EIAARN Cn1c2ccccc2nc1[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000170623215 564110443 /nfs/dbraw/zinc/11/04/43/564110443.db2.gz OZJNEMVQBXNKFY-QGZVFWFLSA-N 0 0 337.423 4.187 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@]4(CC=CCC4)C3)[nH]n2)cc1 ZINC000170626864 564110512 /nfs/dbraw/zinc/11/05/12/564110512.db2.gz LJYAUBKPCBZSHT-OAQYLSRUSA-N 0 0 335.451 4.348 50 0 EIAARN CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000071186281 564110752 /nfs/dbraw/zinc/11/07/52/564110752.db2.gz QCFAAOIKUAOOKA-TZMCWYRMSA-N 0 0 347.846 4.142 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000071195092 564110791 /nfs/dbraw/zinc/11/07/91/564110791.db2.gz FRWFBEWLRHKZRO-LLVKDONJSA-N 0 0 333.457 4.151 50 0 EIAARN CC1=Nc2c(c(=O)[nH]n2C2CCCC2)[C@@H](c2ccc(O)cc2)S1 ZINC000071285305 564110875 /nfs/dbraw/zinc/11/08/75/564110875.db2.gz RDFYHARMKXIUQK-OAHLLOKOSA-N 0 0 329.425 4.296 50 0 EIAARN 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4.261 50 0 EIAARN COc1cc2ccccc2cc1C(=O)Oc1ccc(NC(C)=O)cc1 ZINC000014628142 564112587 /nfs/dbraw/zinc/11/25/87/564112587.db2.gz DQDVZLCKLWBGBW-UHFFFAOYSA-N 0 0 335.359 4.026 50 0 EIAARN Cc1nccn1CCCSc1nccn1-c1cc(C)ccc1C ZINC000089626506 564112809 /nfs/dbraw/zinc/11/28/09/564112809.db2.gz SZOPVLDMBJDCTA-UHFFFAOYSA-N 0 0 326.469 4.176 50 0 EIAARN NC(=O)c1ccc(COC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000016751522 564113076 /nfs/dbraw/zinc/11/30/76/564113076.db2.gz XYUBCVARKLKPLO-UHFFFAOYSA-N 0 0 345.807 4.011 50 0 EIAARN CC(C)(C)c1noc(CN2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089725300 564113363 /nfs/dbraw/zinc/11/33/63/564113363.db2.gz LMQZSFZFKVRRML-UHFFFAOYSA-N 0 0 336.439 4.138 50 0 EIAARN O=C(c1ccccc1SCc1cscn1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000089809602 564113992 /nfs/dbraw/zinc/11/39/92/564113992.db2.gz JUFDMSBPTQOYDJ-OKILXGFUSA-N 0 0 344.505 4.308 50 0 EIAARN O=C([C@H](N[C@@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 ZINC000089825757 564114057 /nfs/dbraw/zinc/11/40/57/564114057.db2.gz AMMVVOCZZCQNTQ-NHCUHLMSSA-N 0 0 334.463 4.017 50 0 EIAARN O=C(NCCc1ccncc1)Nc1ccccc1COc1ccccc1 ZINC000089845804 564114262 /nfs/dbraw/zinc/11/42/62/564114262.db2.gz CWHJYERFOLVFIN-UHFFFAOYSA-N 0 0 347.418 4.025 50 0 EIAARN O=C(Cc1c[nH]c2cc(Cl)ccc12)N[C@H](c1nccs1)C1CC1 ZINC000076040955 564114809 /nfs/dbraw/zinc/11/48/09/564114809.db2.gz POZOFQDTJPJKOZ-INIZCTEOSA-N 0 0 345.855 4.088 50 0 EIAARN COC(=O)[C@@]1(C)CCN(C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000089893479 564114825 /nfs/dbraw/zinc/11/48/25/564114825.db2.gz LIDQKTMVGDEGAK-FQEVSTJZSA-N 0 0 346.471 4.350 50 0 EIAARN C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000089894252 564114969 /nfs/dbraw/zinc/11/49/69/564114969.db2.gz OBIJBSBNZJHLAJ-HOTGVXAUSA-N 0 0 340.423 4.104 50 0 EIAARN C[C@H](Nc1ccc(NC(=O)CCn2cccn2)cc1)c1ccccc1 ZINC000089905737 564115089 /nfs/dbraw/zinc/11/50/89/564115089.db2.gz JLRKPQHLRBDRAZ-INIZCTEOSA-N 0 0 334.423 4.085 50 0 EIAARN CCCCCOc1ccc(C(=O)Nc2ccccc2[S@](C)=O)cc1 ZINC000076059086 564115129 /nfs/dbraw/zinc/11/51/29/564115129.db2.gz VHZGJMCJUMKWMG-XMMPIXPASA-N 0 0 345.464 4.245 50 0 EIAARN CS[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 ZINC000076069478 564115381 /nfs/dbraw/zinc/11/53/81/564115381.db2.gz ISULTEVNCFGRGX-LSDHHAIUSA-N 0 0 331.441 4.056 50 0 EIAARN C[C@H](Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccncc1 ZINC000076083725 564115480 /nfs/dbraw/zinc/11/54/80/564115480.db2.gz AWXRNVNMFHCTGY-AWEZNQCLSA-N 0 0 336.395 4.169 50 0 EIAARN O=C(Nc1csc(N2CCCCC2)n1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000076094660 564115696 /nfs/dbraw/zinc/11/56/96/564115696.db2.gz PDSDWDRKVRAREE-CABCVRRESA-N 0 0 345.443 4.015 50 0 EIAARN O=c1c2c(-c3ccccc3)csc2ncn1CCOc1ccccc1 ZINC000000150929 564116659 /nfs/dbraw/zinc/11/66/59/564116659.db2.gz GGBARPFTEOOACZ-UHFFFAOYSA-N 0 0 348.427 4.204 50 0 EIAARN CCc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000000150410 564116666 /nfs/dbraw/zinc/11/66/66/564116666.db2.gz BSMUCHJHFXXPMM-CYBMUJFWSA-N 0 0 338.476 4.194 50 0 EIAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 ZINC000000527064 564116743 /nfs/dbraw/zinc/11/67/43/564116743.db2.gz JEIACBXBTZPWOF-HNNXBMFYSA-N 0 0 349.434 4.146 50 0 EIAARN Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000002889914 564117099 /nfs/dbraw/zinc/11/70/99/564117099.db2.gz LQSVBCTXPGYEEC-CYBMUJFWSA-N 0 0 349.217 4.046 50 0 EIAARN Cc1nc2ccccc2nc1NC[C@H](O)c1c(Cl)cccc1Cl ZINC000170637178 564117366 /nfs/dbraw/zinc/11/73/66/564117366.db2.gz XJUNWWMTULWCQU-HNNXBMFYSA-N 0 0 348.233 4.391 50 0 EIAARN Cc1n[nH]c(C)c1CCNC(=O)Nc1ccccc1-c1ccccc1 ZINC000006697670 564117411 /nfs/dbraw/zinc/11/74/11/564117411.db2.gz ZWMDVZPKBKWINX-UHFFFAOYSA-N 0 0 334.423 4.058 50 0 EIAARN O=C(Nc1cccc(-c2noc(-c3cccs3)n2)c1)c1ccco1 ZINC000006729295 564117471 /nfs/dbraw/zinc/11/74/71/564117471.db2.gz RJVZXXVMTPDLIT-UHFFFAOYSA-N 0 0 337.360 4.310 50 0 EIAARN O=C(Nc1cccc(-n2ccnc2)c1)c1ccc(F)cc1C(F)(F)F ZINC000135144365 564117674 /nfs/dbraw/zinc/11/76/74/564117674.db2.gz QBBCUFUUGOQLIU-UHFFFAOYSA-N 0 0 349.287 4.283 50 0 EIAARN CCc1cccc(N2COc3ccc4c(CC)cc(=O)oc4c3C2)c1 ZINC000002112656 564118073 /nfs/dbraw/zinc/11/80/73/564118073.db2.gz CLGURCHTOBHDAQ-UHFFFAOYSA-N 0 0 335.403 4.274 50 0 biogenic EIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000252457361 564118600 /nfs/dbraw/zinc/11/86/00/564118600.db2.gz BVZJNRTVFVITJB-GDLCADMTSA-N 0 0 349.780 4.345 50 0 EIAARN CCOC(=O)C1=C(NC(=S)Nc2ccccc2)CC2=C1CCCC2 ZINC000000122785 564118822 /nfs/dbraw/zinc/11/88/22/564118822.db2.gz KTQLCJNJAWZAJD-UHFFFAOYSA-N 0 0 342.464 4.065 50 0 EIAARN Cc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)o2)cc1C ZINC000007595697 564118920 /nfs/dbraw/zinc/11/89/20/564118920.db2.gz VDAMRTHJGPKJFM-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN COc1cccc(C(=O)N2CCCCC[C@H]2c2ccccc2)c1O ZINC000170642090 564118931 /nfs/dbraw/zinc/11/89/31/564118931.db2.gz RHYLZNMFRSRZNO-KRWDZBQOSA-N 0 0 325.408 4.158 50 0 EIAARN COc1cccc(C(=O)Nc2ccc(Cl)c3ncsc32)c1OC ZINC000007598999 564119003 /nfs/dbraw/zinc/11/90/03/564119003.db2.gz MHEHQEZFAHYNSA-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN CC(C)C[C@@H](C)NC(=O)c1ccccc1C(=O)N[C@H](C)CC(C)C ZINC000002573390 564119087 /nfs/dbraw/zinc/11/90/87/564119087.db2.gz CZQFDOWOGQWTSG-HZPDHXFCSA-N 0 0 332.488 4.015 50 0 EIAARN C[C@H](Oc1ccc(C(=O)NCc2cccnc2)cc1)c1ccccc1 ZINC000252484536 564119240 /nfs/dbraw/zinc/11/92/40/564119240.db2.gz FYVYMIBVRVJKAM-INIZCTEOSA-N 0 0 332.403 4.152 50 0 EIAARN Cc1cccnc1N(C)C(=O)c1ccc(Br)c(Cl)c1 ZINC000390833817 564120234 /nfs/dbraw/zinc/12/02/34/564120234.db2.gz NMAGMEBASSXJPX-UHFFFAOYSA-N 0 0 339.620 4.083 50 0 EIAARN CC(C)Cn1ccnc1CN[C@H](C)c1cc(Br)cs1 ZINC000194056447 564120385 /nfs/dbraw/zinc/12/03/85/564120385.db2.gz MLBDKWKMWMTKTK-LLVKDONJSA-N 0 0 342.306 4.214 50 0 EIAARN CCSc1ccccc1C(=O)NCc1cccnc1-c1ccco1 ZINC000225660149 564120679 /nfs/dbraw/zinc/12/06/79/564120679.db2.gz RBCSTUITQNDQPD-UHFFFAOYSA-N 0 0 338.432 4.384 50 0 EIAARN Cc1cc(C(=O)N(C)[C@H]2CCCc3cccnc32)c(C)n1C(C)C ZINC000252549423 564120774 /nfs/dbraw/zinc/12/07/74/564120774.db2.gz REHBBFGXNHEYHN-SFHVURJKSA-N 0 0 325.456 4.230 50 0 EIAARN C[C@H]1CCCc2sc3nc(NCc4ccccc4)n4ncnc4c3c21 ZINC000002201709 564120941 /nfs/dbraw/zinc/12/09/41/564120941.db2.gz HDDWOIDWZRVHKS-LBPRGKRZSA-N 0 0 349.463 4.391 50 0 EIAARN COc1ccc(-c2csc(N[C@@H]3OC(=O)c4ccccc43)n2)cc1 ZINC000002205740 564121113 /nfs/dbraw/zinc/12/11/13/564121113.db2.gz AJHIXYKYCQQHOB-MRXNPFEDSA-N 0 0 338.388 4.100 50 0 EIAARN CCCC(=O)Nc1ccc2c(c1)C(=O)C[C@@H](c1ccc(OC)cc1)O2 ZINC000007636265 564121372 /nfs/dbraw/zinc/12/13/72/564121372.db2.gz XIWHMXQTJHZKHK-IBGZPJMESA-N 0 0 339.391 4.140 50 0 EIAARN O=C(COc1cccc(F)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000007642064 564121469 /nfs/dbraw/zinc/12/14/69/564121469.db2.gz XQXXCTUTDLVTDD-UHFFFAOYSA-N 0 0 346.358 4.106 50 0 EIAARN Cc1noc(C)c1COc1ccc(CC(=O)Oc2ccccc2)cc1 ZINC000007657694 564121640 /nfs/dbraw/zinc/12/16/40/564121640.db2.gz DXFOWHDECCOXON-UHFFFAOYSA-N 0 0 337.375 4.019 50 0 EIAARN C[C@@H](c1ccc(Cl)cc1)[S@@](=O)Cc1nnc(C2CC2)n1C1CC1 ZINC000194543637 564121652 /nfs/dbraw/zinc/12/16/52/564121652.db2.gz MWTCUXROCHDMAR-RULNZOCKSA-N 0 0 349.887 4.154 50 0 EIAARN COc1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000007668536 564121720 /nfs/dbraw/zinc/12/17/20/564121720.db2.gz YOZBAFKONQJVGR-UHFFFAOYSA-N 0 0 347.414 4.204 50 0 EIAARN Cc1cc(OCC(=O)N[C@H](C)c2ccc(F)cc2F)ccc1Cl ZINC000007671804 564121788 /nfs/dbraw/zinc/12/17/88/564121788.db2.gz OFYGTHKBEUEKSM-LLVKDONJSA-N 0 0 339.769 4.183 50 0 EIAARN CS(=O)(=O)c1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 ZINC000007736653 564122469 /nfs/dbraw/zinc/12/24/69/564122469.db2.gz ILSXXSKDYLOQNY-UHFFFAOYSA-N 0 0 333.409 4.020 50 0 EIAARN O=c1cc(CSC2CCCCC2)nc2sc3c(n21)CCCC3 ZINC000007744046 564122565 /nfs/dbraw/zinc/12/25/65/564122565.db2.gz XXSKYYXWEIPOLS-UHFFFAOYSA-N 0 0 334.510 4.201 50 0 EIAARN CCCCn1nc(C)c(C(=O)N2CCCc3ccccc32)c1Cl ZINC000007779283 564123097 /nfs/dbraw/zinc/12/30/97/564123097.db2.gz KMZSVGLJEBCISV-UHFFFAOYSA-N 0 0 331.847 4.238 50 0 EIAARN C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccccc1C(F)(F)F ZINC000066050922 564123978 /nfs/dbraw/zinc/12/39/78/564123978.db2.gz JGHBFLTVJGVMJD-MRVPVSSYSA-N 0 0 345.267 4.180 50 0 EIAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cn1 ZINC000007848943 564124248 /nfs/dbraw/zinc/12/42/48/564124248.db2.gz SBDPRIUSUNGMCL-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN CCCCOC(=O)CNc1nc2ccc(C)cc2c(-c2ccccc2)n1 ZINC000002233385 564124932 /nfs/dbraw/zinc/12/49/32/564124932.db2.gz MYZYCEIZEIRRNM-UHFFFAOYSA-N 0 0 349.434 4.360 50 0 EIAARN COc1ccc2nc(NC(=O)c3ccccc3SC)sc2c1 ZINC000003479263 564125041 /nfs/dbraw/zinc/12/50/41/564125041.db2.gz PUNZXVFXKMCAPK-UHFFFAOYSA-N 0 0 330.434 4.279 50 0 EIAARN Cc1ccc([C@H](Nc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000007907524 564125052 /nfs/dbraw/zinc/12/50/52/564125052.db2.gz BQEAZYUTNHDQFH-SFHVURJKSA-N 0 0 347.447 4.234 50 0 EIAARN O=C(C[NH+]1CCCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003236858 564125064 /nfs/dbraw/zinc/12/50/64/564125064.db2.gz JVSVZYBRUBZATA-UHFFFAOYSA-N 0 0 334.769 4.173 50 0 EIAARN COc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000007918677 564125150 /nfs/dbraw/zinc/12/51/50/564125150.db2.gz WAUFVRXQLWFTHU-UHFFFAOYSA-N 0 0 342.395 4.295 50 0 EIAARN COCc1nc2ccccc2n1CCOc1ccc2ccccc2c1 ZINC000000246994 564125173 /nfs/dbraw/zinc/12/51/73/564125173.db2.gz ILKGBXHKGJGXCG-UHFFFAOYSA-N 0 0 332.403 4.415 50 0 EIAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1F ZINC000007922332 564125494 /nfs/dbraw/zinc/12/54/94/564125494.db2.gz SAUGSVVSRCVQOP-GFCCVEGCSA-N 0 0 343.427 4.067 50 0 EIAARN COc1ccc2cc(CN(C)CC(=O)Nc3cccc(C)c3)ccc2c1 ZINC000007926559 564125546 /nfs/dbraw/zinc/12/55/46/564125546.db2.gz UNKWRSDYXZMUJO-UHFFFAOYSA-N 0 0 348.446 4.227 50 0 EIAARN Cc1noc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@@H]1C2 ZINC000043735990 564129214 /nfs/dbraw/zinc/12/92/14/564129214.db2.gz CWEKHXSSQMBRHH-IJQKITLXSA-N 0 0 327.468 4.320 50 0 EIAARN C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C)[C@H](O)CC ZINC000043762241 564129216 /nfs/dbraw/zinc/12/92/16/564129216.db2.gz LECQFYAXBMWBMJ-OMFXLVFUSA-N 0 0 334.500 4.450 50 0 EIAARN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(C)[C@@H](C)c2ccccn2)cc1 ZINC000253392828 564130466 /nfs/dbraw/zinc/13/04/66/564130466.db2.gz HUXPXURGUJLMAZ-CVEARBPZSA-N 0 0 338.451 4.243 50 0 EIAARN CCCc1cc(=O)oc2cc(Oc3nc([C@@H](C)OC)ns3)ccc12 ZINC000253396562 564130552 /nfs/dbraw/zinc/13/05/52/564130552.db2.gz CUGNAQYKVNGWGZ-SNVBAGLBSA-N 0 0 346.408 4.097 50 0 EIAARN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(F)nc2F)o1 ZINC000253424332 564131040 /nfs/dbraw/zinc/13/10/40/564131040.db2.gz DSTSHVRDESFTHN-GWCFXTLKSA-N 0 0 335.354 4.266 50 0 EIAARN CC[C@H](NC(=O)NC1(CO)CCCCCC1)c1ccc(C)c(C)c1 ZINC000584885431 564131489 /nfs/dbraw/zinc/13/14/89/564131489.db2.gz BUVSOPPFMDPVAK-SFHVURJKSA-N 0 0 332.488 4.139 50 0 EIAARN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000002290811 564131580 /nfs/dbraw/zinc/13/15/80/564131580.db2.gz IXTOZTHYDCUXSC-OQLLNIDSSA-N 0 0 345.807 4.243 50 0 EIAARN Cc1nc([C@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)no1 ZINC000253433188 564131883 /nfs/dbraw/zinc/13/18/83/564131883.db2.gz SYZBYJDISOKIEO-ZETCQYMHSA-N 0 0 340.330 4.193 50 0 EIAARN Cc1ccc(-c2nnc(SCc3cccc4ccccc43)n2N)cc1 ZINC000002348960 564132580 /nfs/dbraw/zinc/13/25/80/564132580.db2.gz CGESKUCLGCYNIL-UHFFFAOYSA-N 0 0 346.459 4.413 50 0 EIAARN Cc1noc(C)c1COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000056663990 564132994 /nfs/dbraw/zinc/13/29/94/564132994.db2.gz UISFZXJHDUFEGV-VGOFMYFVSA-N 0 0 346.433 4.200 50 0 EIAARN O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000012948495 564133573 /nfs/dbraw/zinc/13/35/73/564133573.db2.gz OFADPSWJJOKKDE-RCCKNPSSSA-N 0 0 340.382 4.483 50 0 EIAARN Cc1ccccc1[C@@H]1CC(=O)c2cn3c4ccccc4nc3nc2C1 ZINC000002438706 564135176 /nfs/dbraw/zinc/13/51/76/564135176.db2.gz IPOLXRBNKKFARD-AWEZNQCLSA-N 0 0 327.387 4.104 50 0 EIAARN C[C@H]1CCc2sc3nc(NC4CCCCC4)n4ncnc4c3c2C1 ZINC000002443764 564135244 /nfs/dbraw/zinc/13/52/44/564135244.db2.gz ZIJMLLUWSQKNFT-NSHDSACASA-N 0 0 341.484 4.208 50 0 EIAARN CCn1c2ccccc2c2nnc(SCCc3ccccc3)nc21 ZINC000002446819 564135281 /nfs/dbraw/zinc/13/52/81/564135281.db2.gz ZHNZCJRWGOYASQ-UHFFFAOYSA-N 0 0 334.448 4.334 50 0 EIAARN Cc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012761392 564135517 /nfs/dbraw/zinc/13/55/17/564135517.db2.gz DXAAPWOZEKNUAE-QPGLYAHGSA-N 0 0 349.430 4.143 50 0 EIAARN COc1ccc(C)cc1NC(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000007950682 564135533 /nfs/dbraw/zinc/13/55/33/564135533.db2.gz JNBBDRPWNHXBGB-UHFFFAOYSA-N 0 0 343.471 4.044 50 0 EIAARN Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012941427 564135699 /nfs/dbraw/zinc/13/56/99/564135699.db2.gz QGIQGYNKCREKNE-SINXNMPMSA-N 0 0 349.430 4.143 50 0 EIAARN Cc1cc2n(n1)[C@H](c1cn(-c3ccccc3)nc1C)Nc1ccccc1-2 ZINC000013123876 564136016 /nfs/dbraw/zinc/13/60/16/564136016.db2.gz PPPUDCRSTSZKGP-OAQYLSRUSA-N 0 0 341.418 4.325 50 0 aggregator EIAARN CCCNC(=O)[C@H](C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369184 564136311 /nfs/dbraw/zinc/13/63/11/564136311.db2.gz SISKZVYRRPFTCZ-ZDUSSCGKSA-N 0 0 341.842 4.444 50 0 EIAARN Cc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c(O)c1 ZINC000007960411 564137089 /nfs/dbraw/zinc/13/70/89/564137089.db2.gz QREDLKAVDZHMLN-UHFFFAOYSA-N 0 0 333.387 4.455 50 0 EIAARN COc1ccccc1NC(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000078814322 564137235 /nfs/dbraw/zinc/13/72/35/564137235.db2.gz YSYKQKMZSWJZIT-QGZVFWFLSA-N 0 0 342.464 4.326 50 0 EIAARN CC(C)COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cn1 ZINC000079049895 564137749 /nfs/dbraw/zinc/13/77/49/564137749.db2.gz KJGTXWIWHNUKGJ-LPHOPBHVSA-N 0 0 338.451 4.135 50 0 EIAARN Cc1ccc(NC(C)C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000079105800 564137915 /nfs/dbraw/zinc/13/79/15/564137915.db2.gz YBRJYGOSISAETH-UHFFFAOYSA-N 0 0 338.860 4.270 50 0 EIAARN O=C(NCc1cccc(O)c1)Nc1cccc(C2SCCS2)c1 ZINC000079512704 564138251 /nfs/dbraw/zinc/13/82/51/564138251.db2.gz YDNVCNDQYHNSFT-UHFFFAOYSA-N 0 0 346.477 4.193 50 0 EIAARN O=C(Cc1ccc(F)cc1)N[C@H](c1ccsc1)c1cccs1 ZINC000390826834 564138489 /nfs/dbraw/zinc/13/84/89/564138489.db2.gz QCIVHYNTVDPTEU-QGZVFWFLSA-N 0 0 331.437 4.397 50 0 EIAARN O=C(NC1(c2cccs2)CCCC1)c1ccc(C(F)(F)F)nc1 ZINC000390829039 564138578 /nfs/dbraw/zinc/13/85/78/564138578.db2.gz WDYFKFYNELPHKR-UHFFFAOYSA-N 0 0 340.370 4.361 50 0 EIAARN CCc1oc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000390834226 564138913 /nfs/dbraw/zinc/13/89/13/564138913.db2.gz UVSSWXTWLVXQIX-FUHWJXTLSA-N 0 0 345.414 4.282 50 0 EIAARN C[C@H](C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)C1CC1 ZINC000279244394 564139191 /nfs/dbraw/zinc/13/91/91/564139191.db2.gz UIJBSJNYYUFGRS-KRWDZBQOSA-N 0 0 349.474 4.210 50 0 EIAARN Fc1cc(CNCc2coc(-c3ccccc3)n2)ccc1OC(F)F ZINC000095437389 564140443 /nfs/dbraw/zinc/14/04/43/564140443.db2.gz YGZIBRIUSVAXHX-UHFFFAOYSA-N 0 0 348.324 4.372 50 0 EIAARN CSc1cc(CNC(=O)c2cc(Cl)sc2Cl)ccn1 ZINC000095458968 564140703 /nfs/dbraw/zinc/14/07/03/564140703.db2.gz JWWZNDDQLDVVCO-UHFFFAOYSA-N 0 0 333.265 4.102 50 0 EIAARN Cc1cc([C@H](NCc2nc(-c3ccoc3)no2)C(C)C)c(C)s1 ZINC000095462599 564140822 /nfs/dbraw/zinc/14/08/22/564140822.db2.gz VUBKAJBQDYZFRH-MRXNPFEDSA-N 0 0 331.441 4.495 50 0 EIAARN O=C(NCc1cccc(-c2ncc[nH]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000095464765 564140954 /nfs/dbraw/zinc/14/09/54/564140954.db2.gz PMXVQLGNMRGZMV-UHFFFAOYSA-N 0 0 346.217 4.314 50 0 EIAARN O=C(NCc1cccc(-c2ncc[nH]2)c1)c1ccccc1C(F)(F)F ZINC000095464766 564140961 /nfs/dbraw/zinc/14/09/61/564140961.db2.gz YKLINIDEMUUPAB-UHFFFAOYSA-N 0 0 345.324 4.026 50 0 EIAARN COCC[C@@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1ccc(C)o1 ZINC000095465962 564141006 /nfs/dbraw/zinc/14/10/06/564141006.db2.gz OEQDXSSEFPMHCH-GOSISDBHSA-N 0 0 340.423 4.194 50 0 EIAARN CC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1Cl ZINC000095939242 564141980 /nfs/dbraw/zinc/14/19/80/564141980.db2.gz ZWUJKGYJUWULKV-INIZCTEOSA-N 0 0 346.818 4.025 50 0 EIAARN Cc1cccc(C[S@](=O)C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000095946409 564142209 /nfs/dbraw/zinc/14/22/09/564142209.db2.gz NIIWFFALYVEZLF-HRAATJIYSA-N 0 0 343.275 4.284 50 0 EIAARN CC[C@@H]1CN(CC(=O)NCc2ccc(C)cc2)c2ccccc2S1 ZINC000021093924 564142266 /nfs/dbraw/zinc/14/22/66/564142266.db2.gz PTUYLAVLZZYTJL-QGZVFWFLSA-N 0 0 340.492 4.002 50 0 EIAARN C[C@H](Cc1ccc2ccccc2c1)NC(=O)N[C@@H](C)c1ccncc1 ZINC000095948077 564142312 /nfs/dbraw/zinc/14/23/12/564142312.db2.gz JZUUPCJMZHROMU-CVEARBPZSA-N 0 0 333.435 4.226 50 0 EIAARN COc1cccc(-c2nc(COc3ccc(C)cn3)cs2)c1OC ZINC000095961137 564142741 /nfs/dbraw/zinc/14/27/41/564142741.db2.gz RBODJHRGKZOQAL-UHFFFAOYSA-N 0 0 342.420 4.110 50 0 EIAARN CCOCc1ccccc1NC(=O)N(C)[C@H]1CC[C@@H](SCC)C1 ZINC000095965228 564142878 /nfs/dbraw/zinc/14/28/78/564142878.db2.gz WPEZBRZRLONFAI-JKSUJKDBSA-N 0 0 336.501 4.361 50 0 EIAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1nccn1C(C)C ZINC000095965278 564142914 /nfs/dbraw/zinc/14/29/14/564142914.db2.gz WZKMEOFJUFLNSQ-UHFFFAOYSA-N 0 0 340.349 4.053 50 0 EIAARN CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000095965236 564142934 /nfs/dbraw/zinc/14/29/34/564142934.db2.gz CKXJSIHNBDBBGF-MRXNPFEDSA-N 0 0 329.444 4.004 50 0 EIAARN CC(=O)N1CCC(Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)CC1 ZINC000095971931 564143439 /nfs/dbraw/zinc/14/34/39/564143439.db2.gz OXQVHKGGPYWGFS-KKSFZXQISA-N 0 0 344.499 4.205 50 0 EIAARN CCCOc1cccc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000095984722 564143876 /nfs/dbraw/zinc/14/38/76/564143876.db2.gz WWARQCTVYDOQEV-KRWDZBQOSA-N 0 0 342.443 4.184 50 0 EIAARN C[C@H](Sc1ccccc1S(C)(=O)=O)c1nc2ccccc2o1 ZINC000095993791 564144197 /nfs/dbraw/zinc/14/41/97/564144197.db2.gz HZRSZLKFMLIUNA-NSHDSACASA-N 0 0 333.434 4.085 50 0 EIAARN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cc(C)ccc2C)no1 ZINC000095998786 564144325 /nfs/dbraw/zinc/14/43/25/564144325.db2.gz GUXBXKYUEHYKBV-INIZCTEOSA-N 0 0 328.416 4.144 50 0 EIAARN C[C@@H](Nc1ccc2cccc(Br)c2n1)[C@H]1CCCOC1 ZINC000096002030 564144401 /nfs/dbraw/zinc/14/44/01/564144401.db2.gz HRIKNUJVHJDLLY-YPMHNXCESA-N 0 0 335.245 4.224 50 0 EIAARN Cc1cccc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1 ZINC000096006641 564144515 /nfs/dbraw/zinc/14/45/15/564144515.db2.gz FJHNVSWXLGEAAT-UHFFFAOYSA-N 0 0 345.324 4.452 50 0 EIAARN Cc1noc(C2CC2)c1NC(=O)c1cccc(Br)c1C ZINC000096012110 564144759 /nfs/dbraw/zinc/14/47/59/564144759.db2.gz ZQRNSFJGZQITQA-UHFFFAOYSA-N 0 0 335.201 4.184 50 0 EIAARN Cc1cc(C(=O)NCc2nn(C3CCCC3)c3c2CCCC3)c(C)o1 ZINC000096099210 564145220 /nfs/dbraw/zinc/14/52/20/564145220.db2.gz VYPDFOKKBXRWAJ-UHFFFAOYSA-N 0 0 341.455 4.017 50 0 EIAARN O=C(Cc1cccs1)N(Cc1cnc2ccccn12)c1ccccc1 ZINC000096102997 564145265 /nfs/dbraw/zinc/14/52/65/564145265.db2.gz BCLNBGQWRBLFIK-UHFFFAOYSA-N 0 0 347.443 4.172 50 0 EIAARN CC(C)n1ccc2c1cccc2NC(=O)c1cc(-c2cccnc2)[nH]n1 ZINC000096117097 564145466 /nfs/dbraw/zinc/14/54/66/564145466.db2.gz ADDGGWVNWRYQLM-UHFFFAOYSA-N 0 0 345.406 4.260 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccccc1Cc1nc(C2CC2)no1 ZINC000096119583 564145530 /nfs/dbraw/zinc/14/55/30/564145530.db2.gz WNXUIDUWENXVBK-UHFFFAOYSA-N 0 0 333.391 4.099 50 0 EIAARN Cc1cccc(OC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000096119549 564145537 /nfs/dbraw/zinc/14/55/37/564145537.db2.gz HCOKSROFCMVOOL-UHFFFAOYSA-N 0 0 345.830 4.119 50 0 EIAARN COc1ccc2cc(C(=O)N3CCC(c4ccsc4)CC3)[nH]c2c1 ZINC000096120608 564145548 /nfs/dbraw/zinc/14/55/48/564145548.db2.gz CDPOGSLFSMYYHJ-UHFFFAOYSA-N 0 0 340.448 4.258 50 0 EIAARN Cc1ccc(/C=C\C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000096130119 564145758 /nfs/dbraw/zinc/14/57/58/564145758.db2.gz GKARAZIMGRXAJS-QBFSEMIESA-N 0 0 349.478 4.100 50 0 EIAARN O=C(NCc1ccc(F)cc1)c1ccc(Oc2cccc(F)c2)o1 ZINC000096182548 564145855 /nfs/dbraw/zinc/14/58/55/564145855.db2.gz GDHFECVMHYMOKB-UHFFFAOYSA-N 0 0 329.302 4.280 50 0 EIAARN CC(C)[C@H](NC(=O)c1ccc2c(ccn2C)c1)c1nc2ccccc2[nH]1 ZINC000096224187 564146071 /nfs/dbraw/zinc/14/60/71/564146071.db2.gz AKNFYZMWEYHPNB-IBGZPJMESA-N 0 0 346.434 4.182 50 0 EIAARN Cc1nc(C(C)C)c(C(=O)Nc2nc(-c3ccncc3)cs2)s1 ZINC000096231272 564146078 /nfs/dbraw/zinc/14/60/78/564146078.db2.gz PUXZATVLAXWWRK-UHFFFAOYSA-N 0 0 344.465 4.346 50 0 EIAARN CC[C@H](C)[C@H](NC(=O)C1CC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276012 564146252 /nfs/dbraw/zinc/14/62/52/564146252.db2.gz YXYSWJAZRSYNEZ-HZMBPMFUSA-N 0 0 333.819 4.003 50 0 EIAARN CC(C)[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccccc2)no1 ZINC000096276997 564146286 /nfs/dbraw/zinc/14/62/86/564146286.db2.gz AYKIDINJIVGDLY-MRXNPFEDSA-N 0 0 339.370 4.003 50 0 EIAARN Cc1ccc(-c2noc([C@@H](NC(=O)c3ccccc3)C(C)C)n2)cc1 ZINC000096278370 564146348 /nfs/dbraw/zinc/14/63/48/564146348.db2.gz HQMGWBSXRUINEW-KRWDZBQOSA-N 0 0 335.407 4.172 50 0 EIAARN O=C(/C=C\c1c(Cl)nc2ccccn21)OC/C=C/c1ccccc1 ZINC000096297578 564146621 /nfs/dbraw/zinc/14/66/21/564146621.db2.gz RRARWCDXKQINRF-SUNUYMGGSA-N 0 0 338.794 4.258 50 0 EIAARN O=C(Nc1cccc(CSc2ccccn2)c1)c1ccncc1F ZINC000126001033 564146785 /nfs/dbraw/zinc/14/67/85/564146785.db2.gz ZLAYIMHOSXLZIV-UHFFFAOYSA-N 0 0 339.395 4.160 50 0 EIAARN COc1cccc([C@@H](CNC(=O)c2cc3ccccc3s2)OC)c1 ZINC000096390132 564147028 /nfs/dbraw/zinc/14/70/28/564147028.db2.gz QMVXFIFZHQYVDX-MRXNPFEDSA-N 0 0 341.432 4.027 50 0 EIAARN C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1cccc(OC(F)F)c1 ZINC000096404444 564147294 /nfs/dbraw/zinc/14/72/94/564147294.db2.gz MALOSUVOIPQDQK-RKFFSXRUSA-N 0 0 328.355 4.437 50 0 EIAARN O=C(c1ccc(-c2cnco2)cc1)N1CC=C(c2cccs2)CC1 ZINC000096409977 564147558 /nfs/dbraw/zinc/14/75/58/564147558.db2.gz MUCUMZQMBDNAEL-UHFFFAOYSA-N 0 0 336.416 4.333 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccccc1N(C)C ZINC000096417946 564147841 /nfs/dbraw/zinc/14/78/41/564147841.db2.gz MCEQDRMVYOIRJG-KRWDZBQOSA-N 0 0 326.444 4.153 50 0 EIAARN CC[C@](C)(NC(=O)Nc1cccc([C@@H](C)OC)c1)c1nccs1 ZINC000096418039 564147869 /nfs/dbraw/zinc/14/78/69/564147869.db2.gz UYUPUGMTHBVDGR-PXAZEXFGSA-N 0 0 333.457 4.297 50 0 EIAARN CSc1ccc(O[C@H](C)C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 ZINC000096418249 564147893 /nfs/dbraw/zinc/14/78/93/564147893.db2.gz NRLMQQCNJOUVHD-CQSZACIVSA-N 0 0 347.484 4.209 50 0 EIAARN C[C@@H](C(=O)N[C@@H](C)c1ccc(F)c(C(F)(F)F)c1)C1CCOCC1 ZINC000096484920 564148695 /nfs/dbraw/zinc/14/86/95/564148695.db2.gz IPNDSAQBGIQIQT-MNOVXSKESA-N 0 0 347.352 4.084 50 0 EIAARN CCN(C(=O)c1cnc2c(cnn2CC(C)C)c1)c1ccccc1C ZINC000097000231 564149114 /nfs/dbraw/zinc/14/91/14/564149114.db2.gz CYAOJOIRTMVWQP-UHFFFAOYSA-N 0 0 336.439 4.062 50 0 EIAARN Cc1ccn(-c2ccccc2N[C@@H](C)c2ccc([S@](C)=O)cc2)n1 ZINC000097038705 564149259 /nfs/dbraw/zinc/14/92/59/564149259.db2.gz IYDINLAJXPDRFX-IZHWHUGBSA-N 0 0 339.464 4.091 50 0 EIAARN Cc1nn(C)c(Oc2cccnc2)c1CNc1cnc2ccccc2c1 ZINC000097115575 564149444 /nfs/dbraw/zinc/14/94/44/564149444.db2.gz LKLDYSJHIJWVGK-UHFFFAOYSA-N 0 0 345.406 4.076 50 0 EIAARN CC(C)c1ccc(-c2ncc(C[S@](=O)Cc3ccon3)s2)cc1 ZINC000097227758 564149619 /nfs/dbraw/zinc/14/96/19/564149619.db2.gz PWEWKRQZYFTCNX-QHCPKHFHSA-N 0 0 346.477 4.370 50 0 EIAARN C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cc2ccccc2s1 ZINC000225600474 564149931 /nfs/dbraw/zinc/14/99/31/564149931.db2.gz UVIWKXNAJWLBOK-ZDUSSCGKSA-N 0 0 337.444 4.197 50 0 EIAARN Cc1nc(CCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cs1 ZINC000028251587 564150902 /nfs/dbraw/zinc/15/09/02/564150902.db2.gz LFJLOUKZVIUQPL-CQSZACIVSA-N 0 0 346.496 4.010 50 0 EIAARN CCCC/[S@](Cc1ccccc1)=N/S(=O)(=O)c1ccccc1 ZINC000028294407 564150952 /nfs/dbraw/zinc/15/09/52/564150952.db2.gz GYPBAJJLWVNNAG-NRFANRHFSA-N 0 0 335.494 4.178 50 0 EIAARN COc1ccc(COC(=O)CCc2nc3ccccc3s2)cc1F ZINC000002623095 564151248 /nfs/dbraw/zinc/15/12/48/564151248.db2.gz KBUUJHPAXUDSCJ-UHFFFAOYSA-N 0 0 345.395 4.120 50 0 EIAARN O=C(COc1ccc(F)cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000002625928 564151310 /nfs/dbraw/zinc/15/13/10/564151310.db2.gz UTVJYCAGFRMILW-UHFFFAOYSA-N 0 0 332.133 4.289 50 0 EIAARN CC(=O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000002629199 564151439 /nfs/dbraw/zinc/15/14/39/564151439.db2.gz UYSJDTUSIDMYTF-UHFFFAOYSA-N 0 0 331.799 4.177 50 0 EIAARN Cc1nc2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2s1 ZINC000002640130 564151661 /nfs/dbraw/zinc/15/16/61/564151661.db2.gz XDXJBBKGGLAFNQ-UHFFFAOYSA-N 0 0 326.421 4.239 50 0 EIAARN Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000002644621 564151762 /nfs/dbraw/zinc/15/17/62/564151762.db2.gz VWKRHGLWXCBWCU-UHFFFAOYSA-N 0 0 340.404 4.355 50 0 EIAARN COc1cccc(CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC000002652506 564151895 /nfs/dbraw/zinc/15/18/95/564151895.db2.gz LJVBCXIUNMIIHN-SFHVURJKSA-N 0 0 331.843 4.405 50 0 EIAARN COc1ccccc1C(=O)NCCSc1c(C)[nH]c2ccccc21 ZINC000002721081 564152232 /nfs/dbraw/zinc/15/22/32/564152232.db2.gz YJRCNZJJNLJNER-UHFFFAOYSA-N 0 0 340.448 4.007 50 0 EIAARN Cc1ccc(NC(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)cc1 ZINC000002743847 564152403 /nfs/dbraw/zinc/15/24/03/564152403.db2.gz ADEDPNWBXROWDH-UHFFFAOYSA-N 0 0 342.349 4.105 50 0 EIAARN Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C)c1 ZINC000002752155 564152445 /nfs/dbraw/zinc/15/24/45/564152445.db2.gz OSVKGCVKJJOXIL-UHFFFAOYSA-N 0 0 337.345 4.035 50 0 EIAARN Cc1ccccc1Cn1cc(NC(=S)NC2CCC(C)CC2)cn1 ZINC000002799889 564152752 /nfs/dbraw/zinc/15/27/52/564152752.db2.gz NXPICVJOXAJQNY-UHFFFAOYSA-N 0 0 342.512 4.105 50 0 EIAARN CCc1ccc(NC(=O)Nc2nnc(N3CCCC[C@H]3C)s2)cc1 ZINC000002908354 564153000 /nfs/dbraw/zinc/15/30/00/564153000.db2.gz AJFMYEDBJKHJEE-GFCCVEGCSA-N 0 0 345.472 4.123 50 0 EIAARN Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C ZINC000002919577 564153038 /nfs/dbraw/zinc/15/30/38/564153038.db2.gz QGPVMDYIYHVIOF-IAGOWNOFSA-N 0 0 339.830 4.090 50 0 EIAARN O=C(C[C@H]1CCCO1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000057084640 564153258 /nfs/dbraw/zinc/15/32/58/564153258.db2.gz CHXQQUMSOCLKAS-NVXWUHKLSA-N 0 0 335.856 4.176 50 0 EIAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C1CC1)CO2 ZINC000057140887 564153290 /nfs/dbraw/zinc/15/32/90/564153290.db2.gz HQTQBCNTESDGAP-UHFFFAOYSA-N 0 0 333.387 4.083 50 0 biogenic EIAARN C[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000057413461 564154196 /nfs/dbraw/zinc/15/41/96/564154196.db2.gz XFOAZUHFOIFZMN-CYBMUJFWSA-N 0 0 339.826 4.264 50 0 EIAARN COC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)S2 ZINC000003029918 564154502 /nfs/dbraw/zinc/15/45/02/564154502.db2.gz SJMQUJMKTOHDSS-NVNXTCNLSA-N 0 0 345.807 4.212 50 0 EIAARN COC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)S2 ZINC000003029921 564154503 /nfs/dbraw/zinc/15/45/03/564154503.db2.gz GMWRUUQRDXWRIJ-DHDCSXOGSA-N 0 0 345.807 4.212 50 0 EIAARN C[C@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000057508782 564154629 /nfs/dbraw/zinc/15/46/29/564154629.db2.gz QFOSPGQRYDHJKR-KXBFYZLASA-N 0 0 336.460 4.454 50 0 EIAARN C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl ZINC000057529602 564154751 /nfs/dbraw/zinc/15/47/51/564154751.db2.gz HLAMDRGKWMQGOB-SCLBCKFNSA-N 0 0 328.843 4.011 50 0 EIAARN CCCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000003248638 564156597 /nfs/dbraw/zinc/15/65/97/564156597.db2.gz YQCSZEXFTCNOLF-UHFFFAOYSA-N 0 0 332.375 4.166 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)COc2ncnc3ccccc32)cc1 ZINC000003273335 564156836 /nfs/dbraw/zinc/15/68/36/564156836.db2.gz QVPUQASDPSPUPT-CQSZACIVSA-N 0 0 335.407 4.161 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc(OC(F)F)cc1 ZINC000003274878 564156870 /nfs/dbraw/zinc/15/68/70/564156870.db2.gz SZEGCUZOADMBFC-NSHDSACASA-N 0 0 334.391 4.436 50 0 EIAARN Cc1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1O ZINC000003281888 564156892 /nfs/dbraw/zinc/15/68/92/564156892.db2.gz AWNAIMVFAISLBC-UHFFFAOYSA-N 0 0 325.389 4.181 50 0 EIAARN O=C(NCc1ccccn1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000058003993 564157134 /nfs/dbraw/zinc/15/71/34/564157134.db2.gz DLDLAKFMWQGRMD-UHFFFAOYSA-N 0 0 344.846 4.047 50 0 EIAARN CC[C@@H](OC)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000058032460 564157278 /nfs/dbraw/zinc/15/72/78/564157278.db2.gz PPEGYTQBJDQIMB-MRXNPFEDSA-N 0 0 330.453 4.052 50 0 EIAARN O=C(NC1CCCC1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000030993878 564158315 /nfs/dbraw/zinc/15/83/15/564158315.db2.gz KWZLDWUMOQYQDX-OAHLLOKOSA-N 0 0 329.469 4.476 50 0 EIAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SC ZINC000003477774 564158353 /nfs/dbraw/zinc/15/83/53/564158353.db2.gz TWHVPUFYPAUIMS-UHFFFAOYSA-N 0 0 346.839 4.078 50 0 EIAARN O=C(CSc1nc2ccccc2s1)Nc1cc(F)ccc1F ZINC000003503854 564158561 /nfs/dbraw/zinc/15/85/61/564158561.db2.gz ZGNISPGAMFSVSU-UHFFFAOYSA-N 0 0 336.388 4.305 50 0 EIAARN O=C(CN1CCC[C@@H]1c1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000058377879 564158930 /nfs/dbraw/zinc/15/89/30/564158930.db2.gz HAPPCLBVNWAWQH-GOSISDBHSA-N 0 0 340.854 4.066 50 0 EIAARN Cc1[nH]c2ccccc2c1CC(=O)OCc1nc2ccccc2s1 ZINC000031149225 564158960 /nfs/dbraw/zinc/15/89/60/564158960.db2.gz MFFQOOJUJPZYMK-UHFFFAOYSA-N 0 0 336.416 4.372 50 0 EIAARN O=C(NCCCSc1ccccc1)[C@H]1Cc2ccccc2S1 ZINC000031355297 564159308 /nfs/dbraw/zinc/15/93/08/564159308.db2.gz VNYOLXATMITBEG-QGZVFWFLSA-N 0 0 329.490 4.002 50 0 EIAARN COc1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)ccc1C ZINC000031543765 564159522 /nfs/dbraw/zinc/15/95/22/564159522.db2.gz FZOUZCGKVDYSQR-UHFFFAOYSA-N 0 0 335.407 4.058 50 0 EIAARN Cc1cccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000031663172 564159656 /nfs/dbraw/zinc/15/96/56/564159656.db2.gz FDXOGEFVEPLYNN-UHFFFAOYSA-N 0 0 339.370 4.146 50 0 EIAARN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000031734607 564159786 /nfs/dbraw/zinc/15/97/86/564159786.db2.gz PZKHPXJOKITLCX-UHFFFAOYSA-N 0 0 342.782 4.040 50 0 EIAARN Cc1nccc(-c2cccc(NCc3nc(-c4ccsc4)no3)c2)n1 ZINC000031785665 564159828 /nfs/dbraw/zinc/15/98/28/564159828.db2.gz VCSJZLVKARPUFW-UHFFFAOYSA-N 0 0 349.419 4.176 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc(CCC3CCCC3)[nH]2)s1 ZINC000031797438 564159848 /nfs/dbraw/zinc/15/98/48/564159848.db2.gz SJYPMUAPVIEIDP-UHFFFAOYSA-N 0 0 335.498 4.272 50 0 EIAARN O=C(N[C@H](c1cccs1)C1CCCC1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000031805692 564159868 /nfs/dbraw/zinc/15/98/68/564159868.db2.gz CSDJEDVMTINRJG-ONYGOOLBSA-N 0 0 345.508 4.491 50 0 EIAARN COC(=O)c1ccc([C@H](C)Sc2n[nH]c(-c3ccc(C)cc3)n2)o1 ZINC000031843889 564160045 /nfs/dbraw/zinc/16/00/45/564160045.db2.gz JTHSDERPZXVOHH-NSHDSACASA-N 0 0 343.408 4.013 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 ZINC000004081337 564160401 /nfs/dbraw/zinc/16/04/01/564160401.db2.gz OQHMNEGOKQMOFM-CZUPSRJTSA-N 0 0 332.484 4.242 50 0 biogenic EIAARN CC(C)(C)c1nc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2o1 ZINC000032097489 564160740 /nfs/dbraw/zinc/16/07/40/564160740.db2.gz QJKHQRBIJFBHSB-UHFFFAOYSA-N 0 0 348.399 4.065 50 0 EIAARN CC(=O)Nc1ccc(SCc2noc(-c3cccc(C)c3)n2)cc1 ZINC000032325725 564161214 /nfs/dbraw/zinc/16/12/14/564161214.db2.gz GZOCRLDNXUZTOR-UHFFFAOYSA-N 0 0 339.420 4.296 50 0 EIAARN Cc1ccc(F)c(NC(=O)c2ccccc2OCc2ccncc2)c1 ZINC000032450245 564161479 /nfs/dbraw/zinc/16/14/79/564161479.db2.gz WAVQIFHHYBUTGU-UHFFFAOYSA-N 0 0 336.366 4.360 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccccn3)ccc2c1 ZINC000008025293 564162237 /nfs/dbraw/zinc/16/22/37/564162237.db2.gz KBJNKRHRVKXZKK-HUUCEWRRSA-N 0 0 334.419 4.224 50 0 EIAARN COc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OCC(C)C ZINC000008036298 564162286 /nfs/dbraw/zinc/16/22/86/564162286.db2.gz IBMCALSQGWNFSW-UHFFFAOYSA-N 0 0 335.350 4.261 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C)cc2)cc1OCC ZINC000008031502 564162306 /nfs/dbraw/zinc/16/23/06/564162306.db2.gz BAUTZEMZUTXZGJ-MRXNPFEDSA-N 0 0 341.451 4.212 50 0 EIAARN Cc1ccnn1-c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000008071785 564162493 /nfs/dbraw/zinc/16/24/93/564162493.db2.gz ZJIWJCJWCAIPNN-UHFFFAOYSA-N 0 0 325.799 4.395 50 0 EIAARN O=C(NC1CCCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000008076213 564162565 /nfs/dbraw/zinc/16/25/65/564162565.db2.gz XKQQCASWAWTRPP-UHFFFAOYSA-N 0 0 345.446 4.271 50 0 EIAARN O=C(CCc1nc2ccccc2o1)N[C@@H]1CCSc2ccccc21 ZINC000008156255 564163206 /nfs/dbraw/zinc/16/32/06/564163206.db2.gz OBPRZHGJKORSKD-CQSZACIVSA-N 0 0 338.432 4.114 50 0 EIAARN O=C(CCc1nc2ccccc2o1)N[C@H]1CCSc2ccccc21 ZINC000008156256 564163222 /nfs/dbraw/zinc/16/32/22/564163222.db2.gz OBPRZHGJKORSKD-AWEZNQCLSA-N 0 0 338.432 4.114 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000263536950 564163323 /nfs/dbraw/zinc/16/33/23/564163323.db2.gz ZVSPQHSVBITLPQ-KMUNFCNLSA-N 0 0 345.336 4.062 50 0 EIAARN Clc1ccc(-c2nc(Cn3nnc4ccccc43)cs2)cc1 ZINC000008185030 564163396 /nfs/dbraw/zinc/16/33/96/564163396.db2.gz PBHMHDVJCSDSRM-UHFFFAOYSA-N 0 0 326.812 4.257 50 0 EIAARN Cc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c(C)c1 ZINC000008209838 564163582 /nfs/dbraw/zinc/16/35/82/564163582.db2.gz CGPNPAQXUABAKZ-UHFFFAOYSA-N 0 0 336.416 4.425 50 0 EIAARN Cc1nnc(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)o1 ZINC000171301677 564163791 /nfs/dbraw/zinc/16/37/91/564163791.db2.gz WKXDEVUQKNSNJJ-UHFFFAOYSA-N 0 0 343.770 4.005 50 0 EIAARN CSc1ccc(C)c(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000171342537 564164046 /nfs/dbraw/zinc/16/40/46/564164046.db2.gz UCIHIFWEOFFSNS-UHFFFAOYSA-N 0 0 340.448 4.244 50 0 EIAARN O=C(NC1CC1)[C@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000008291289 564164051 /nfs/dbraw/zinc/16/40/51/564164051.db2.gz RHRISVMUDIAWAF-MRXNPFEDSA-N 0 0 336.218 4.392 50 0 EIAARN O=C(NC1CC1)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008293257 564164062 /nfs/dbraw/zinc/16/40/62/564164062.db2.gz GYPLTDOCJATHKF-MRXNPFEDSA-N 0 0 336.218 4.392 50 0 EIAARN COc1cccc(CCC(=O)Nc2cc(Cl)ccc2C)c1OC ZINC000008304370 564164146 /nfs/dbraw/zinc/16/41/46/564164146.db2.gz YBSYLXXJJUTIST-UHFFFAOYSA-N 0 0 333.815 4.237 50 0 EIAARN COc1cc(NC(=O)c2ccc3ccccc3n2)c(OC)cc1Cl ZINC000008313645 564164203 /nfs/dbraw/zinc/16/42/03/564164203.db2.gz VDAHPIZUUVQKCV-UHFFFAOYSA-N 0 0 342.782 4.158 50 0 EIAARN c1nnc(-c2ccc(Oc3ncnc4c5ccccc5oc43)cc2)o1 ZINC000008316093 564164253 /nfs/dbraw/zinc/16/42/53/564164253.db2.gz AMMULFBAKAJSLR-UHFFFAOYSA-N 0 0 330.303 4.218 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1CNc1ncnc2sccc21 ZINC000008325658 564164447 /nfs/dbraw/zinc/16/44/47/564164447.db2.gz YAZFHBVVRWQDIX-UHFFFAOYSA-N 0 0 349.463 4.165 50 0 EIAARN C[C@@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000008332514 564164561 /nfs/dbraw/zinc/16/45/61/564164561.db2.gz DSEODQXZUVXQIX-INIZCTEOSA-N 0 0 345.446 4.283 50 0 EIAARN CCOC(=O)c1cc(NC(=O)N(CC(C)C)CC(C)C)c(C)nc1C ZINC000008337971 564164567 /nfs/dbraw/zinc/16/45/67/564164567.db2.gz RVMMTPYMINZFEV-UHFFFAOYSA-N 0 0 349.475 4.021 50 0 EIAARN Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)no1 ZINC000008343651 564164653 /nfs/dbraw/zinc/16/46/53/564164653.db2.gz NWVKLYJIJMSCDB-CQSZACIVSA-N 0 0 340.448 4.318 50 0 EIAARN Cc1[nH]c(C(=O)N(C)[C@H](C)c2ccccc2)c(C)c1C(=O)OC(C)C ZINC000008404618 564165153 /nfs/dbraw/zinc/16/51/53/564165153.db2.gz DTSTWDJQJKBBCG-OAHLLOKOSA-N 0 0 342.439 4.030 50 0 EIAARN Cc1[nH]c(C(=O)N(C)[C@@H](C)c2ccccc2)c(C)c1C(=O)OC(C)C ZINC000008404617 564165174 /nfs/dbraw/zinc/16/51/74/564165174.db2.gz DTSTWDJQJKBBCG-HNNXBMFYSA-N 0 0 342.439 4.030 50 0 EIAARN Cc1ccc(OC(=O)CSc2nnc(-c3cccs3)o2)c(C)c1 ZINC000008587384 564165915 /nfs/dbraw/zinc/16/59/15/564165915.db2.gz HXANZGRHNKJVOL-UHFFFAOYSA-N 0 0 346.433 4.113 50 0 EIAARN CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)no2)cc1 ZINC000008599786 564165984 /nfs/dbraw/zinc/16/59/84/564165984.db2.gz RZTUWNMVPPLKQE-UHFFFAOYSA-N 0 0 339.420 4.030 50 0 EIAARN Cc1ccc(CNc2cc(C)nc3nc(-c4cccc(C)c4)nn32)cc1 ZINC000008609641 564166034 /nfs/dbraw/zinc/16/60/34/564166034.db2.gz BRYIYACETOPSFH-UHFFFAOYSA-N 0 0 343.434 4.329 50 0 EIAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000008673572 564166294 /nfs/dbraw/zinc/16/62/94/564166294.db2.gz PFCGMYLNRNSBAJ-CYBMUJFWSA-N 0 0 330.453 4.045 50 0 EIAARN CC(C)Cc1ncc2c(n1)CN(C(=O)C1(c3ccccc3)CCCC1)C2 ZINC000067724360 564166407 /nfs/dbraw/zinc/16/64/07/564166407.db2.gz JIQPNSCWXMPPTB-UHFFFAOYSA-N 0 0 349.478 4.029 50 0 EIAARN Cc1ccccc1SCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000008705703 564166467 /nfs/dbraw/zinc/16/64/67/564166467.db2.gz VRJNTPJAEQGYDR-UHFFFAOYSA-N 0 0 340.448 4.074 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(Cl)cc1 ZINC000008709309 564166568 /nfs/dbraw/zinc/16/65/68/564166568.db2.gz LPKVTVITJMZBIJ-UHFFFAOYSA-N 0 0 340.810 4.244 50 0 EIAARN O=C(COc1ccccc1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000008709914 564166581 /nfs/dbraw/zinc/16/65/81/564166581.db2.gz HPFSTOWTSOEYCN-UHFFFAOYSA-N 0 0 343.386 4.019 50 0 EIAARN C[C@@H](Sc1ncn(-c2ccccc2)n1)c1nnc(-c2ccccc2)o1 ZINC000008708960 564166594 /nfs/dbraw/zinc/16/65/94/564166594.db2.gz WSPLWCKNWLBPSI-CYBMUJFWSA-N 0 0 349.419 4.171 50 0 EIAARN C[C@H](Sc1nccn1C1CC1)C(=O)Nc1cccc2ccccc21 ZINC000008710170 564166630 /nfs/dbraw/zinc/16/66/30/564166630.db2.gz VYKUWIVVDMRMQT-ZDUSSCGKSA-N 0 0 337.448 4.491 50 0 EIAARN Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 ZINC000008718818 564166889 /nfs/dbraw/zinc/16/68/89/564166889.db2.gz OGRPGLSAYZYQIW-UHFFFAOYSA-N 0 0 329.446 4.189 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)CCc1ccccc1F ZINC000008719954 564166935 /nfs/dbraw/zinc/16/69/35/564166935.db2.gz HQNSANDVYQQHOR-UHFFFAOYSA-N 0 0 325.387 4.157 50 0 EIAARN C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1cccs1 ZINC000008753070 564167328 /nfs/dbraw/zinc/16/73/28/564167328.db2.gz MRCSXRWSNLLQMS-GFCCVEGCSA-N 0 0 328.462 4.292 50 0 EIAARN CCC(=O)N1CCCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 ZINC000008768628 564167375 /nfs/dbraw/zinc/16/73/75/564167375.db2.gz XDRNTIBEERVRFL-UHFFFAOYSA-N 0 0 342.826 4.282 50 0 EIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)CCc1ccccc1F ZINC000245180674 564168667 /nfs/dbraw/zinc/16/86/67/564168667.db2.gz ZFZIGYFEWOFYLH-AWEZNQCLSA-N 0 0 325.383 4.252 50 0 EIAARN CCOc1cc(CN=Nc2ncc(Cl)cc2Cl)ccc1OC 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CC(C)c1noc([C@@H](C)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000069659874 564171281 /nfs/dbraw/zinc/17/12/81/564171281.db2.gz PAPZDTQULAEQII-CYBMUJFWSA-N 0 0 339.443 4.010 50 0 EIAARN Cc1cc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)on1 ZINC000069663116 564171361 /nfs/dbraw/zinc/17/13/61/564171361.db2.gz XSSYJUZQVLNWPE-UHFFFAOYSA-N 0 0 338.411 4.027 50 0 EIAARN COCc1c2ccccc2sc1C(=O)N(CC(F)(F)F)C1CC1 ZINC000069665455 564171418 /nfs/dbraw/zinc/17/14/18/564171418.db2.gz PYPSGFZTVLOXCA-UHFFFAOYSA-N 0 0 343.370 4.215 50 0 EIAARN Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccn2)n1 ZINC000069696721 564171499 /nfs/dbraw/zinc/17/14/99/564171499.db2.gz FGIGYCAQVUYYEN-QGZVFWFLSA-N 0 0 331.419 4.189 50 0 EIAARN Cc1noc(C(C)C)c1C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000069709954 564171754 /nfs/dbraw/zinc/17/17/54/564171754.db2.gz VAPCRWSVWOHHNE-UHFFFAOYSA-N 0 0 344.802 4.198 50 0 EIAARN CCc1c(NC(=O)[C@H]2CCCc3ccccc32)n[nH]c1-c1ccncc1 ZINC000069776254 564172178 /nfs/dbraw/zinc/17/21/78/564172178.db2.gz 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ZINC000071800064 564175510 /nfs/dbraw/zinc/17/55/10/564175510.db2.gz FZEUGVKSXDJKFJ-CQSZACIVSA-N 0 0 335.476 4.162 50 0 EIAARN O=C(Nc1ccc2[nH]ccc2c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000071803340 564175546 /nfs/dbraw/zinc/17/55/46/564175546.db2.gz FINAMAZPCSSLKW-HXUWFJFHSA-N 0 0 349.434 4.145 50 0 EIAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc2c1OCCO2 ZINC000071818462 564175641 /nfs/dbraw/zinc/17/56/41/564175641.db2.gz BUTXUQPNDHAXGM-UHFFFAOYSA-N 0 0 345.398 4.306 50 0 EIAARN CC[C@@H](c1ccccc1)N(CC)C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000071842679 564175877 /nfs/dbraw/zinc/17/58/77/564175877.db2.gz MKGFNURDRYGZHT-FQEVSTJZSA-N 0 0 348.446 4.070 50 0 EIAARN CC[C@@H](c1ccccc1)N(CC)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000071844135 564175927 /nfs/dbraw/zinc/17/59/27/564175927.db2.gz UGSCCGRNAJAYCY-KDOFPFPSSA-N 0 0 327.472 4.140 50 0 EIAARN Cc1cc(NC(=O)[C@H](C)SCc2c(F)cccc2Cl)no1 ZINC000071877683 564176291 /nfs/dbraw/zinc/17/62/91/564176291.db2.gz ZOQYNJMZDUVIMN-VIFPVBQESA-N 0 0 328.796 4.036 50 0 EIAARN C[C@H](NCc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000073984412 564176420 /nfs/dbraw/zinc/17/64/20/564176420.db2.gz BUYZEEOZKOGDTF-JTQLQIEISA-N 0 0 327.350 4.237 50 0 EIAARN Cc1ccsc1[C@@H]1N2CCC[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000075402985 1032229774 /nfs/dbraw/zinc/22/97/74/1032229774.db2.gz YXIVIMIJZCGAHM-GOEBONIOSA-N 0 0 332.856 4.220 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000000325244 1032418885 /nfs/dbraw/zinc/41/88/85/1032418885.db2.gz KUUOBBWFHRJMDW-KRWDZBQOSA-N 0 0 333.391 4.022 50 0 EIAARN CC(C)C(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)C(C)C)ccc1-2 ZINC000000544531 1018763290 /nfs/dbraw/zinc/76/32/90/1018763290.db2.gz YAFKAARWKDBARX-UHFFFAOYSA-N 0 0 336.435 4.447 50 0 EIAARN COc1ccc(-c2nc(NC(=O)C3=C(C)OCCC3)sc2C)cc1 ZINC000160437813 1021785639 /nfs/dbraw/zinc/78/56/39/1021785639.db2.gz WSZGGEIVNCQIQS-UHFFFAOYSA-N 0 0 344.436 4.150 50 0 EIAARN Cc1nsc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)n1 ZINC000674136476 1021875621 /nfs/dbraw/zinc/87/56/21/1021875621.db2.gz PDDDUPRKXDMFMR-UHFFFAOYSA-N 0 0 342.251 4.214 50 0 EIAARN CCC(CC)c1cc(CN[C@H](c2cccs2)c2ncc[nH]2)on1 ZINC000195045724 1022136301 /nfs/dbraw/zinc/13/63/01/1022136301.db2.gz TUDDQTOMRLAOLY-MRXNPFEDSA-N 0 0 330.457 4.242 50 0 EIAARN Cc1ccc(-c2nnc([C@H](C)Nc3cnn(C(C)(C)C)c3)o2)cc1 ZINC000186260096 1022538756 /nfs/dbraw/zinc/53/87/56/1022538756.db2.gz MFTDAHYIZMPCOG-ZDUSSCGKSA-N 0 0 325.416 4.170 50 0 EIAARN O=C(N[C@H]1CCCc2sccc21)c1csc(C(F)(F)F)n1 ZINC000193838417 1022762546 /nfs/dbraw/zinc/76/25/46/1022762546.db2.gz AUTXDGPJRJTKBN-QMMMGPOBSA-N 0 0 332.372 4.031 50 0 EIAARN O=C(NC[C@H]1COc2ccccc21)c1ccc(-c2ccsc2)cc1 ZINC000675008067 1023310885 /nfs/dbraw/zinc/31/08/85/1023310885.db2.gz UWPKTQVHMLFYTJ-KRWDZBQOSA-N 0 0 335.428 4.321 50 0 EIAARN CN(Cc1ccccc1)C(=O)[C@@H]1CCCn2c(-c3ccccc3)cnc21 ZINC000675010258 1023316290 /nfs/dbraw/zinc/31/62/90/1023316290.db2.gz JBYXMOWODXZWMW-LJQANCHMSA-N 0 0 345.446 4.086 50 0 EIAARN O=C(CC1CCCCC1)N1CCC(CCc2noc(C3CC3)n2)CC1 ZINC000675018747 1023328629 /nfs/dbraw/zinc/32/86/29/1023328629.db2.gz BUPRCLJQFYSGSH-UHFFFAOYSA-N 0 0 345.487 4.089 50 0 EIAARN CC[C@@H](C(=O)N1CCCC1)n1cc(-c2cccc3ccccc32)cn1 ZINC000675031337 1023343318 /nfs/dbraw/zinc/34/33/18/1023343318.db2.gz ZBBUFBLVKTVVNK-FQEVSTJZSA-N 0 0 333.435 4.277 50 0 EIAARN COc1cc(/C=C\C(=O)N2CC=C(c3ccccc3)CC2)cc(OC)c1 ZINC000096920541 1023614999 /nfs/dbraw/zinc/61/49/99/1023614999.db2.gz NQVQUSITXGKOFZ-HJWRWDBZSA-N 0 0 349.430 4.033 50 0 EIAARN Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)n1 ZINC000331395496 1023657189 /nfs/dbraw/zinc/65/71/89/1023657189.db2.gz BZYAEAQWEZIING-XCRHUMRWSA-N 0 0 343.471 4.352 50 0 EIAARN O=C(Nc1c(F)cc(Br)cc1F)c1c(F)cccc1F ZINC000002842465 1023881027 /nfs/dbraw/zinc/88/10/27/1023881027.db2.gz GEMZEXPYWHKHNP-UHFFFAOYSA-N 0 0 348.093 4.258 50 0 EIAARN COCCOC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 ZINC000045917003 1024216790 /nfs/dbraw/zinc/21/67/90/1024216790.db2.gz UHZOLFGCTMNATR-UHFFFAOYSA-N 0 0 337.375 4.120 50 0 EIAARN Nc1c(NCc2ccccc2)nsc1C(=O)c1ccc(Cl)cc1 ZINC000004866962 1024886237 /nfs/dbraw/zinc/88/62/37/1024886237.db2.gz CAGPTCQUBXJKPR-UHFFFAOYSA-N 0 0 343.839 4.222 50 0 EIAARN CC(=Cc1c[nH]c(-c2ccccc2)n1)c1nc(=O)c2ccsc2[nH]1 ZINC000255423928 1025123356 /nfs/dbraw/zinc/12/33/56/1025123356.db2.gz GUTPXYSVNPZIFI-LUAWRHEFSA-N 0 0 334.404 4.348 50 0 EIAARN COC[C@H](C)Oc1ccc(Cl)cc1NCc1cnc(C)s1 ZINC000189684222 1025154892 /nfs/dbraw/zinc/15/48/92/1025154892.db2.gz KDNIVSVKVSZYFR-JTQLQIEISA-N 0 0 326.849 4.131 50 0 EIAARN CCOc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000005247670 1025400339 /nfs/dbraw/zinc/40/03/39/1025400339.db2.gz OHKIQDLVYIZTKS-UHFFFAOYSA-N 0 0 332.201 4.095 50 0 EIAARN COc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)C(C)C)cc1)C2 ZINC000888093955 1025930830 /nfs/dbraw/zinc/93/08/30/1025930830.db2.gz OBTCTAHTIMNKFF-UHFFFAOYSA-N 0 0 338.407 4.082 50 0 EIAARN CCN(CC)C(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000006593997 1026185644 /nfs/dbraw/zinc/18/56/44/1026185644.db2.gz ZKHPHYVZMGROLI-UHFFFAOYSA-N 0 0 331.419 4.293 50 0 EIAARN C[C@@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C1CCOCC1 ZINC000118968223 1029288427 /nfs/dbraw/zinc/28/84/27/1029288427.db2.gz QNAZFAGLHGSKLB-GFCCVEGCSA-N 0 0 345.443 4.062 50 0 EIAARN CCC1=NO[C@H](Cn2ccc(-c3cccc(-c4nccs4)c3)n2)C1 ZINC000023251720 1031227277 /nfs/dbraw/zinc/22/72/77/1031227277.db2.gz SWSPGXWBAYPYDQ-INIZCTEOSA-N 0 0 338.436 4.229 50 0 EIAARN CC(C)Oc1cncc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 ZINC000151148727 1035516951 /nfs/dbraw/zinc/51/69/51/1035516951.db2.gz SHBWONRCKYAKMV-LJQANCHMSA-N 0 0 339.439 4.021 50 0 EIAARN O=C1C[C@H](c2noc(-c3ccccc3Cl)n2)CN1C1CCCCC1 ZINC000169770777 1036323854 /nfs/dbraw/zinc/32/38/54/1036323854.db2.gz YNUNLDKQOBWPKU-LBPRGKRZSA-N 0 0 345.830 4.039 50 0 EIAARN c1ccc(COc2ccccc2-c2noc(C[C@H]3CCCO3)n2)cc1 ZINC000172051797 1036864077 /nfs/dbraw/zinc/86/40/77/1036864077.db2.gz YDDFDRXFNLPPKQ-MRXNPFEDSA-N 0 0 336.391 4.037 50 0 EIAARN CC(C)(C)c1ncc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cn1 ZINC000171316325 1037330750 /nfs/dbraw/zinc/33/07/50/1037330750.db2.gz KIFGFHPETIEMFP-MRXNPFEDSA-N 0 0 342.418 4.282 50 0 EIAARN COc1ccc(Cl)cc1C(=O)n1ccccc1=NC1CCCCC1 ZINC000254379525 1037740946 /nfs/dbraw/zinc/74/09/46/1037740946.db2.gz CTLACVAGYDGDPC-UHFFFAOYSA-N 0 0 344.842 4.072 50 0 EIAARN Cc1cn2c(/C=C3\C(=O)Nc4cc(Cl)ccc43)c(C)nc2s1 ZINC000058452765 1037777957 /nfs/dbraw/zinc/77/79/57/1037777957.db2.gz DGQKXYPKKFYYLD-SDQBBNPISA-N 0 0 329.812 4.159 50 0 EIAARN O=c1[nH]c(C=Cc2ccc(-c3ccccc3)s2)nc2cnccc12 ZINC000151496882 1037941613 /nfs/dbraw/zinc/94/16/13/1037941613.db2.gz CFIQVXOPQUVSOF-VQHVLOKHSA-N 0 0 331.400 4.217 50 0 EIAARN Cc1cnc([C@@H](NC(=O)c2cnc(-c3ccco3)s2)C2CC2)s1 ZINC000173576895 1038414050 /nfs/dbraw/zinc/41/40/50/1038414050.db2.gz CBQMRIPIRBJQON-ZDUSSCGKSA-N 0 0 345.449 4.049 50 0 EIAARN Cc1nc2ccccn2c1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000006567044 1039461477 /nfs/dbraw/zinc/46/14/77/1039461477.db2.gz HNNGDCMFKJUGJX-UHFFFAOYSA-N 0 0 335.388 4.162 50 0 EIAARN O[C@H](Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 ZINC000006566804 1039473378 /nfs/dbraw/zinc/47/33/78/1039473378.db2.gz BJVQUNDRPLKUEL-OAQYLSRUSA-N 0 0 344.414 4.349 50 0 EIAARN O=C(/C=C\c1ccccc1Br)N1CCc2sccc2C1 ZINC000096940819 1039856069 /nfs/dbraw/zinc/85/60/69/1039856069.db2.gz JTVIOWSGEOOYGK-WAYWQWQTSA-N 0 0 348.265 4.109 50 0 EIAARN Cc1ccc(NC(=O)NCc2cccn2Cc2ccccc2)cc1C ZINC000006917666 1039859030 /nfs/dbraw/zinc/85/90/30/1039859030.db2.gz MHQXFJFWIQIRMS-UHFFFAOYSA-N 0 0 333.435 4.475 50 0 EIAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCCC2)o1 ZINC000096554785 1040926147 /nfs/dbraw/zinc/92/61/47/1040926147.db2.gz IRVFDQOSIMZTPH-BENRWUELSA-N 0 0 347.418 4.076 50 0 EIAARN CC1(C)Cc2cc(-c3nnc4ccc(C(F)(F)F)cn43)ccc2O1 ZINC000032553323 1041248249 /nfs/dbraw/zinc/24/82/49/1041248249.db2.gz JFSIBEUNJJFJCN-UHFFFAOYSA-N 0 0 333.313 4.129 50 0 EIAARN Fc1cc2nc(/C(Cl)=C\c3cc4n(n3)CCCC4)[nH]c2cc1F ZINC000848639174 1042906395 /nfs/dbraw/zinc/90/63/95/1042906395.db2.gz PTCNONNYZGEAGC-IZZDOVSWSA-N 0 0 334.757 4.111 50 0 EIAARN O=C1c2cccc3c2c(ccc3-n2cccc2)C(=O)N1c1ccccc1 ZINC000618255082 1043154186 /nfs/dbraw/zinc/15/41/86/1043154186.db2.gz TZVHKBUODRECJP-UHFFFAOYSA-N 0 0 338.366 4.431 50 0 EIAARN CCCC(=O)N1CCC(n2c3ccccc3nc2-c2ccccn2)CC1 ZINC000012246517 1044475561 /nfs/dbraw/zinc/47/55/61/1044475561.db2.gz XCOIWJMMVGAEHN-UHFFFAOYSA-N 0 0 348.450 4.062 50 0 EIAARN Cn1ccc([C@H](NCc2ccc3occc3c2)c2ccc(F)cc2)n1 ZINC000375746167 1045232414 /nfs/dbraw/zinc/23/24/14/1045232414.db2.gz XEXGTZIRINLNHY-HXUWFJFHSA-N 0 0 335.382 4.185 50 0 EIAARN COc1ccc2c(c1NCc1nccn1Cc1ccccc1)CCC2 ZINC000190457825 1047575505 /nfs/dbraw/zinc/57/55/05/1047575505.db2.gz PLIRSBGGWYGRMY-UHFFFAOYSA-N 0 0 333.435 4.041 50 0 EIAARN COc1ccc(/C=C(\C)C(=O)Nc2ccc(N(C)C)cc2C)cc1F ZINC000584908561 1049088635 /nfs/dbraw/zinc/08/86/35/1049088635.db2.gz COXOEEMTPKBEDF-GXDHUFHOSA-N 0 0 342.414 4.251 50 0 EIAARN FC(F)(F)c1cc(N2CC[C@@H](COCc3ccccc3)C2)ccn1 ZINC000585080996 1049386492 /nfs/dbraw/zinc/38/64/92/1049386492.db2.gz JTRGPUCFLIYHCF-OAHLLOKOSA-N 0 0 336.357 4.144 50 0 EIAARN CC1(C)CN(Cc2csc([C@@H]3CCCO3)n2)Cc2ccccc2O1 ZINC000585083861 1049405599 /nfs/dbraw/zinc/40/55/99/1049405599.db2.gz DTJFRXMMMGHEMT-KRWDZBQOSA-N 0 0 344.480 4.168 50 0 EIAARN CC(C)n1c(=O)c2ccccc2nc1SCc1cnc(C2CC2)o1 ZINC000585132950 1049617280 /nfs/dbraw/zinc/61/72/80/1049617280.db2.gz JFBAKFNITYLXNW-UHFFFAOYSA-N 0 0 341.436 4.135 50 0 EIAARN CC[C@H]1C=CCN1C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000952869233 1049679113 /nfs/dbraw/zinc/67/91/13/1049679113.db2.gz GMEQBMDHBCFQGJ-QFIPXVFZSA-N 0 0 346.474 4.036 50 0 EIAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)Cc1cccs1 ZINC000952966881 1049686354 /nfs/dbraw/zinc/68/63/54/1049686354.db2.gz KMBFJPCETDKHTG-UHFFFAOYSA-N 0 0 342.489 4.285 50 0 EIAARN CC[C@@H](NCc1cnc(-c2ccco2)nc1)c1nc(C)c(C)s1 ZINC000952980086 1049686441 /nfs/dbraw/zinc/68/64/41/1049686441.db2.gz CIARIPWXBYNSPI-CQSZACIVSA-N 0 0 328.441 4.051 50 0 EIAARN O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccc2ncccc2c1 ZINC000952975411 1049687093 /nfs/dbraw/zinc/68/70/93/1049687093.db2.gz YHFJFMFQHJEVKJ-KRWDZBQOSA-N 0 0 348.402 4.045 50 0 EIAARN CC(C)Cn1cncc1CNCc1nc(-c2ccc(F)cc2)cs1 ZINC000952983773 1049688290 /nfs/dbraw/zinc/68/82/90/1049688290.db2.gz QQYIBPGUTABNRJ-UHFFFAOYSA-N 0 0 344.459 4.092 50 0 EIAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1CC=CCC1 ZINC000952990520 1049690882 /nfs/dbraw/zinc/69/08/82/1049690882.db2.gz VSDVPJRHRMUGOW-KRWDZBQOSA-N 0 0 326.465 4.337 50 0 EIAARN CCc1nc2cc(NC(=O)c3ccc4ccn(C)c4c3)ccc2n1CC ZINC000952987534 1049691030 /nfs/dbraw/zinc/69/10/30/1049691030.db2.gz FCCSGVWWTRVTME-UHFFFAOYSA-N 0 0 346.434 4.363 50 0 EIAARN CCNC(=O)c1ccc(C)c(NC(=O)c2c(F)ccc(C)c2Cl)c1 ZINC000952989637 1049692172 /nfs/dbraw/zinc/69/21/72/1049692172.db2.gz NWOUGHRFHIZMQS-UHFFFAOYSA-N 0 0 348.805 4.098 50 0 EIAARN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccn(C2CCCC2)n1 ZINC000179854519 1049774787 /nfs/dbraw/zinc/77/47/87/1049774787.db2.gz RGRZEPOXPCGYTL-UHFFFAOYSA-N 0 0 345.353 4.064 50 0 EIAARN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1scnc1C1CC1 ZINC000182456310 1050671924 /nfs/dbraw/zinc/67/19/24/1050671924.db2.gz QGWPYXMEJIIJGU-CYBMUJFWSA-N 0 0 348.855 4.318 50 0 EIAARN O=C(CCc1cc(Cl)cs1)Nc1ncn(C2CCCCC2)n1 ZINC000182691911 1050791975 /nfs/dbraw/zinc/79/19/75/1050791975.db2.gz GENWZNUOOAISCH-UHFFFAOYSA-N 0 0 338.864 4.070 50 0 EIAARN O=C(CCC1CCC1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000183989429 1051737818 /nfs/dbraw/zinc/73/78/18/1051737818.db2.gz NIQLCFBKQTVVTE-MRXNPFEDSA-N 0 0 341.373 4.186 50 0 EIAARN O=C(Nc1ccccc1Cl)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000005679811 1053364524 /nfs/dbraw/zinc/36/45/24/1053364524.db2.gz BNZAGOCLLDTAQR-UHFFFAOYSA-N 0 0 342.704 4.093 50 0 EIAARN CCc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc3c[nH]nc3c2)o1 ZINC000684448346 1053814173 /nfs/dbraw/zinc/81/41/73/1053814173.db2.gz RYVRVNBHQHEGAN-SFHVURJKSA-N 0 0 337.423 4.015 50 0 EIAARN CCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2)cc1 ZINC000006837682 1055294063 /nfs/dbraw/zinc/29/40/63/1055294063.db2.gz WSSGWCMANLPMTE-IBGZPJMESA-N 0 0 340.448 4.122 50 0 EIAARN CCCn1cc(N[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cn1 ZINC000186322421 1055352380 /nfs/dbraw/zinc/35/23/80/1055352380.db2.gz KWOSOLFHNSDBAO-AWEZNQCLSA-N 0 0 325.416 4.133 50 0 EIAARN O=C(Nc1ccccc1F)N1CCCCC[C@@H]1c1nc(C2CC2)no1 ZINC000581788916 1060005596 /nfs/dbraw/zinc/00/55/96/1060005596.db2.gz BGBMVEVHFGMRCR-OAHLLOKOSA-N 0 0 344.390 4.235 50 0 EIAARN Cc1ccc(OCC[C@@H]2CCN(C(=O)C3(c4ccccc4)CC3)C2)cc1 ZINC000581789143 1060010051 /nfs/dbraw/zinc/01/00/51/1060010051.db2.gz JRBAMLRKBJTBHT-IBGZPJMESA-N 0 0 349.474 4.344 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(C)c1 ZINC000004741193 210266089 /nfs/dbraw/zinc/26/60/89/210266089.db2.gz CIQQYEVYHVRXHU-UHFFFAOYSA-N 0 0 342.402 4.290 50 0 EIAARN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 ZINC000004741153 210265380 /nfs/dbraw/zinc/26/53/80/210265380.db2.gz LUIWXNOEUMZPKN-UHFFFAOYSA-N 0 0 344.842 4.266 50 0 EIAARN Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ncccn32)c(C)c1 ZINC000004734298 210264628 /nfs/dbraw/zinc/26/46/28/210264628.db2.gz MTRXHRHFFGHOCG-UHFFFAOYSA-N 0 0 330.391 4.462 50 0 EIAARN CN(C)c1ccc(NC(=O)Nc2cccc(Br)c2)cc1 ZINC000051354335 214089861 /nfs/dbraw/zinc/08/98/61/214089861.db2.gz XHAHGGBSLDUQFC-UHFFFAOYSA-N 0 0 334.217 4.159 50 0 EIAARN CC[C@H](O)c1ccccc1NC(=O)c1ccccc1Br ZINC000004733145 210263359 /nfs/dbraw/zinc/26/33/59/210263359.db2.gz JNMQHUCDECAELN-HNNXBMFYSA-N 0 0 334.213 4.145 50 0 EIAARN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@@]3(C[C@H]4O)CC[C@H]12 ZINC000004731321 210262594 /nfs/dbraw/zinc/26/25/94/210262594.db2.gz LYFJGTIFFFMUCR-JSUYNQPISA-N 0 0 334.500 4.323 50 0 biogenic EIAARN O=c1[nH]c(CSC2=Nc3ccccc3CS2)nc2ccccc21 ZINC000052463277 214129229 /nfs/dbraw/zinc/12/92/29/214129229.db2.gz BPXOMSGQHJDSJC-UHFFFAOYSA-N 0 0 339.445 4.091 50 0 EIAARN CC(C)(C)n1nc(C(=O)Nc2nc(C3CC3)cs2)cc1C1CC1 ZINC000052531928 214133188 /nfs/dbraw/zinc/13/31/88/214133188.db2.gz TXRDKTMDWZLALN-UHFFFAOYSA-N 0 0 330.457 4.102 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)cc1 ZINC000052897584 214153821 /nfs/dbraw/zinc/15/38/21/214153821.db2.gz NJKPMEUFVYNUQR-GOSISDBHSA-N 0 0 347.817 4.394 50 0 EIAARN CC(=O)N1N=C(c2cccs2)O[C@@]1(C)C12CC3CC(CC(C3)C1)C2 ZINC000004722163 210260002 /nfs/dbraw/zinc/26/00/02/210260002.db2.gz LEDZFRIOMUROPE-ZSWVUIPGSA-N 0 0 344.480 4.221 50 0 EIAARN S=C(Nc1cnn(Cc2ccccc2)c1)Nc1ccc2c(c1)CCC2 ZINC000053521323 214187422 /nfs/dbraw/zinc/18/74/22/214187422.db2.gz SPVAOTHRCIDRDV-UHFFFAOYSA-N 0 0 348.475 4.229 50 0 EIAARN CC(C)N1COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2C1 ZINC000054313660 214229797 /nfs/dbraw/zinc/22/97/97/214229797.db2.gz BEKMKBIVNPGLLD-UHFFFAOYSA-N 0 0 339.366 4.159 50 0 EIAARN CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000054528795 214241763 /nfs/dbraw/zinc/24/17/63/214241763.db2.gz CXOQOGSVFMOXCF-ZDUSSCGKSA-N 0 0 345.399 4.063 50 0 EIAARN Cc1noc([C@H]2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)n1 ZINC000054661496 214248986 /nfs/dbraw/zinc/24/89/86/214248986.db2.gz GJTMUUXWSISGEJ-IBGZPJMESA-N 0 0 347.418 4.065 50 0 EIAARN CCN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000055098983 214271926 /nfs/dbraw/zinc/27/19/26/214271926.db2.gz AYRIWSJAUPADFJ-FQEVSTJZSA-N 0 0 339.435 4.090 50 0 EIAARN CC(C)(C)CC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000004696189 210250780 /nfs/dbraw/zinc/25/07/80/210250780.db2.gz QHSBRCRIMCTAKY-UHFFFAOYSA-N 0 0 339.848 4.145 50 0 EIAARN C[C@H](CO)CN(Cc1ccccc1)Cc1c(Cl)cncc1Cl ZINC000055131374 214278289 /nfs/dbraw/zinc/27/82/89/214278289.db2.gz BKKFUAHCNZHVTP-ZDUSSCGKSA-N 0 0 339.266 4.019 50 0 EIAARN Cc1ccc2nc(C)c(C(=O)N(Cc3nccs3)C3CC3)cc2c1 ZINC000055153170 214279880 /nfs/dbraw/zinc/27/98/80/214279880.db2.gz KNCJVGFGRNKEFF-UHFFFAOYSA-N 0 0 337.448 4.113 50 0 EIAARN CCOc1ccccc1OCCN(C)C(=O)c1csc(C)c1CC ZINC000055196206 214286960 /nfs/dbraw/zinc/28/69/60/214286960.db2.gz KRANLVHIGGZPNE-UHFFFAOYSA-N 0 0 347.480 4.169 50 0 EIAARN CCOc1ccc(CC(=O)Nc2c(C)cnn2C(CC)CC)cc1 ZINC000055212062 214289585 /nfs/dbraw/zinc/28/95/85/214289585.db2.gz UGWMIBKRWUDPGG-UHFFFAOYSA-N 0 0 329.444 4.133 50 0 EIAARN C[C@]12CC3CC(C(=O)NCCCc4ccncc4)(C1)C[C@@](C)(C3)C2 ZINC000055253683 214295954 /nfs/dbraw/zinc/29/59/54/214295954.db2.gz QRUZTHRMOOMIFX-DLIHROTGSA-N 0 0 326.484 4.127 50 0 EIAARN COC[C@H](C)C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000055253157 214296846 /nfs/dbraw/zinc/29/68/46/214296846.db2.gz JKKMFFOFMQGERC-SIHNGCNOSA-N 0 0 333.516 4.114 50 0 EIAARN CCC(CC)n1nc(C)cc1NC(=O)c1cccc2c1NCCC2 ZINC000055227720 214292666 /nfs/dbraw/zinc/29/26/66/214292666.db2.gz DDEZLVGPYZDWRB-UHFFFAOYSA-N 0 0 326.444 4.163 50 0 EIAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cc(C)nc2c(C)cccc12 ZINC000055309468 214305700 /nfs/dbraw/zinc/30/57/00/214305700.db2.gz CEMYNAGRSAOOHW-HNNXBMFYSA-N 0 0 336.439 4.025 50 0 EIAARN Cc1ccc(NC2(C(=O)NCc3ccc(Cl)nc3)CCCC2)cc1 ZINC000055325227 214308048 /nfs/dbraw/zinc/30/80/48/214308048.db2.gz IHBRVWWRJHWFBE-UHFFFAOYSA-N 0 0 343.858 4.085 50 0 EIAARN CCOc1cccc(CN(C(=O)c2c[nH]c3ccccc23)C2CC2)c1 ZINC000055283110 214301938 /nfs/dbraw/zinc/30/19/38/214301938.db2.gz KLBSGIXNOQPKPU-UHFFFAOYSA-N 0 0 334.419 4.371 50 0 EIAARN O=C(c1cccc(Cl)n1)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000055307546 214303731 /nfs/dbraw/zinc/30/37/31/214303731.db2.gz DQLSXZSKRMIUHE-HNNXBMFYSA-N 0 0 344.842 4.068 50 0 EIAARN CCc1nc(C)c(CN(Cc2ccncc2)Cc2ccc(F)cc2)[nH]1 ZINC000055386050 214315839 /nfs/dbraw/zinc/31/58/39/214315839.db2.gz WJRRMXBSTWNMLM-UHFFFAOYSA-N 0 0 338.430 4.017 50 0 EIAARN c1cc(CN(Cc2cccnc2)Cc2cccc3c2OCO3)cs1 ZINC000055341082 214309332 /nfs/dbraw/zinc/30/93/32/214309332.db2.gz FLXRHFPJKGLSRL-UHFFFAOYSA-N 0 0 338.432 4.074 50 0 EIAARN Cc1ccncc1C(=O)Nc1ccccc1OCCOc1ccccc1 ZINC000055414407 214322360 /nfs/dbraw/zinc/32/23/60/214322360.db2.gz ZBGNIPDTIDANGM-UHFFFAOYSA-N 0 0 348.402 4.100 50 0 EIAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1ccccn1 ZINC000055520812 214327195 /nfs/dbraw/zinc/32/71/95/214327195.db2.gz UEYCPDXFWCOGLJ-AWEZNQCLSA-N 0 0 341.461 4.244 50 0 EIAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000055524176 214327771 /nfs/dbraw/zinc/32/77/71/214327771.db2.gz CAVHBVIRTCBCDF-CQSZACIVSA-N 0 0 339.826 4.064 50 0 EIAARN Cc1cc(F)ccc1C(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000055568911 214330543 /nfs/dbraw/zinc/33/05/43/214330543.db2.gz AOMMIMVIDQUDTE-INIZCTEOSA-N 0 0 333.428 4.017 50 0 EIAARN Cc1cc(C)c(NC(=O)N[C@@H](c2nccn2C)C(C)C)c(Cl)c1 ZINC000097785108 219057078 /nfs/dbraw/zinc/05/70/78/219057078.db2.gz WHMLXGXNPPHMSI-CQSZACIVSA-N 0 0 334.851 4.209 50 0 EIAARN CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000004688025 210247156 /nfs/dbraw/zinc/24/71/56/210247156.db2.gz PGTNHUIEEDCSRN-WOJGMQOQSA-N 0 0 348.427 4.356 50 0 EIAARN O=C(C=C1CCCCC1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000055993069 214352625 /nfs/dbraw/zinc/35/26/25/214352625.db2.gz LUBITMPHFFRJEX-FQEVSTJZSA-N 0 0 349.478 4.316 50 0 EIAARN O=C(C=C1CCCCC1)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000056350804 214371680 /nfs/dbraw/zinc/37/16/80/214371680.db2.gz QJGLTRRBZCBULK-KRWDZBQOSA-N 0 0 329.440 4.464 50 0 EIAARN COc1cc(C)c(CN(C)Cc2nc3ccccc3s2)cc1OC ZINC000056696787 214385352 /nfs/dbraw/zinc/38/53/52/214385352.db2.gz NIXUAHSBRUTVAA-UHFFFAOYSA-N 0 0 342.464 4.254 50 0 EIAARN CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000056765045 214387415 /nfs/dbraw/zinc/38/74/15/214387415.db2.gz XNAUEVCDBCHEEA-SNVBAGLBSA-N 0 0 335.791 4.105 50 0 EIAARN CCCn1cc(NC(=O)c2sc3ccccc3c2C)ccc1=O ZINC000057143732 214407646 /nfs/dbraw/zinc/40/76/46/214407646.db2.gz NTRSYOIFLJNSTB-UHFFFAOYSA-N 0 0 326.421 4.034 50 0 EIAARN CCCN1COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2C1 ZINC000057172548 214409322 /nfs/dbraw/zinc/40/93/22/214409322.db2.gz GBLFGPOHVQCYIX-UHFFFAOYSA-N 0 0 335.403 4.330 50 0 biogenic EIAARN C[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000057413456 214426433 /nfs/dbraw/zinc/42/64/33/214426433.db2.gz XFOAZUHFOIFZMN-ZDUSSCGKSA-N 0 0 339.826 4.264 50 0 EIAARN CC(C)CCO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000057994299 214468995 /nfs/dbraw/zinc/46/89/95/214468995.db2.gz DFBGEYKROKLTDK-AWEZNQCLSA-N 0 0 334.460 4.061 50 0 EIAARN O=[S@@](CCCOc1ccc(F)cc1)Cc1c(F)cccc1Cl ZINC000058130853 214480479 /nfs/dbraw/zinc/48/04/79/214480479.db2.gz QKWSFBDKOBXROB-JOCHJYFZSA-N 0 0 344.810 4.336 50 0 EIAARN O=[S@](CCCOc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000058132300 214480912 /nfs/dbraw/zinc/48/09/12/214480912.db2.gz MGDMCDJGEAZBOZ-NRFANRHFSA-N 0 0 326.820 4.197 50 0 EIAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1)CO3 ZINC000058088543 214477562 /nfs/dbraw/zinc/47/75/62/214477562.db2.gz AXNZXTKJCFXTEL-UHFFFAOYSA-N 0 0 335.403 4.016 50 0 biogenic EIAARN COc1ccccc1-c1nnc2sc(-c3ccc(C)c(C)c3)nn21 ZINC000004664944 210241248 /nfs/dbraw/zinc/24/12/48/210241248.db2.gz QYRDKIHCQBPNLS-UHFFFAOYSA-N 0 0 336.420 4.145 50 0 EIAARN COc1ccc(/C=C\C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000097986226 219065610 /nfs/dbraw/zinc/06/56/10/219065610.db2.gz ZTNATIYROFNTAS-YFHOEESVSA-N 0 0 335.325 4.044 50 0 EIAARN C[C@@H]1CC[C@@H](OC(=O)CCC(=O)Nc2ccc(F)cc2F)C[C@@H]1C ZINC000004654038 210238212 /nfs/dbraw/zinc/23/82/12/210238212.db2.gz RPFFOOSNJXMCPE-MBNYWOFBSA-N 0 0 339.382 4.051 50 0 EIAARN Nc1nc(NCc2ccccc2)sc1C(=O)c1ccc(Cl)cc1 ZINC000004652876 210238101 /nfs/dbraw/zinc/23/81/01/210238101.db2.gz BXGJNLNFEDZIIZ-UHFFFAOYSA-N 0 0 343.839 4.222 50 0 EIAARN CCOc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1OCC ZINC000058330053 214548392 /nfs/dbraw/zinc/54/83/92/214548392.db2.gz AQAHHWIIOBCZAC-UHFFFAOYSA-N 0 0 330.384 4.137 50 0 EIAARN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)OCC(F)(F)F ZINC000058331688 214550267 /nfs/dbraw/zinc/55/02/67/214550267.db2.gz VLWOUZWOMVGGDE-UHFFFAOYSA-N 0 0 338.285 4.050 50 0 EIAARN CC[C@@H](NC(=O)N1CCC2(C1)CCOCC2)c1cccc(Cl)c1 ZINC000098014409 219069467 /nfs/dbraw/zinc/06/94/67/219069467.db2.gz BGTQSUTTXFFBFH-MRXNPFEDSA-N 0 0 336.863 4.003 50 0 EIAARN Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3C)C2=O)cc1 ZINC000004622074 210234189 /nfs/dbraw/zinc/23/41/89/210234189.db2.gz RFXMTXKMDABYEE-GZTJUZNOSA-N 0 0 338.432 4.409 50 0 EIAARN O=C(/C=C\c1c(F)cccc1F)OCc1ncc(-c2ccccc2)o1 ZINC000098054766 219074130 /nfs/dbraw/zinc/07/41/30/219074130.db2.gz SCQGRQNTDIAMKJ-KTKRTIGZSA-N 0 0 341.313 4.376 50 0 EIAARN Cc1noc(C)c1C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000063691649 214765064 /nfs/dbraw/zinc/76/50/64/214765064.db2.gz STLLQQOEYLFISC-UHFFFAOYSA-N 0 0 332.403 4.374 50 0 EIAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 ZINC000004588301 210227128 /nfs/dbraw/zinc/22/71/28/210227128.db2.gz IQFJSBWJWYYZAV-YBEGLDIGSA-N 0 0 349.386 4.057 50 0 EIAARN Cc1ccc(C2=N/C(=C\c3cc(Br)cs3)C(=O)O2)cc1 ZINC000004588633 210227305 /nfs/dbraw/zinc/22/73/05/210227305.db2.gz PLKXPPFTKYINSY-QPEQYQDCSA-N 0 0 348.221 4.164 50 0 EIAARN O=C(OCc1coc(-c2cccs2)n1)c1cc2c(s1)CCC2 ZINC000004581417 210226666 /nfs/dbraw/zinc/22/66/66/210226666.db2.gz UTCUYIKTXIXFTR-UHFFFAOYSA-N 0 0 331.418 4.310 50 0 EIAARN Cc1nn(C)c2c1[C@@H](c1ccc(OCC(C)C)cc1)SCC(=O)N2 ZINC000049544741 214016805 /nfs/dbraw/zinc/01/68/05/214016805.db2.gz OXRLGTUHARHJBR-QGZVFWFLSA-N 0 0 345.468 4.188 50 0 EIAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccccc1OCCc1ccccc1 ZINC000049546354 214016310 /nfs/dbraw/zinc/01/63/10/214016310.db2.gz QMPYEMIMAYXZPR-KRWDZBQOSA-N 0 0 347.418 4.165 50 0 EIAARN Cc1sc2nc(C)nc(SCc3nnc(C4CC4)o3)c2c1C ZINC000098125809 219084857 /nfs/dbraw/zinc/08/48/57/219084857.db2.gz WTXBMEMSDCJKTB-UHFFFAOYSA-N 0 0 332.454 4.169 50 0 EIAARN C/C(=C\c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000004543373 210219142 /nfs/dbraw/zinc/21/91/42/210219142.db2.gz IIGCSMMYJZAWAD-MKGRGECFSA-N 0 0 338.476 4.458 50 0 EIAARN CC(C)(C)c1ccc(Cn2cnc3cc(Cl)ccc3c2=O)cc1 ZINC000004542314 210217983 /nfs/dbraw/zinc/21/79/83/210217983.db2.gz MJKDTFHKZGBLML-UHFFFAOYSA-N 0 0 326.827 4.396 50 0 EIAARN Clc1cccc(/C=C/c2nn3c(nnc3-c3ccncc3)s2)c1 ZINC000004540218 210216734 /nfs/dbraw/zinc/21/67/34/210216734.db2.gz BECTYCJDPXFTBN-SNAWJCMRSA-N 0 0 339.811 4.072 50 0 EIAARN C[S@](=O)(=NC(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000100016119 219088345 /nfs/dbraw/zinc/08/83/45/219088345.db2.gz PRVJQCSVSQRYHB-OAQYLSRUSA-N 0 0 344.223 4.077 50 0 EIAARN O=C1C[C@H](Sc2ccc3ccccc3c2)C(=O)N1c1ccccc1 ZINC000100026648 219089428 /nfs/dbraw/zinc/08/94/28/219089428.db2.gz LFKHHRYKUTZWBT-SFHVURJKSA-N 0 0 333.412 4.264 50 0 EIAARN COc1ccc(-c2noc(-c3cccc(OC(C)C)c3)n2)cc1OC ZINC000004520785 210213426 /nfs/dbraw/zinc/21/34/26/210213426.db2.gz PJGITSBBVOHVGS-UHFFFAOYSA-N 0 0 340.379 4.208 50 0 EIAARN CCCCOc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1 ZINC000100103852 219091340 /nfs/dbraw/zinc/09/13/40/219091340.db2.gz POIXPRUCJNVKRG-HDICACEKSA-N 0 0 327.424 4.101 50 0 EIAARN Clc1ccc(Cl)c(-c2nn3c(nnc3-c3ccco3)s2)c1 ZINC000004511795 210210397 /nfs/dbraw/zinc/21/03/97/210210397.db2.gz KWFWSRFITLGAMG-UHFFFAOYSA-N 0 0 337.191 4.420 50 0 EIAARN CC(C)Sc1ccc(CC(=O)N(Cc2cccn2C)C2CC2)cc1 ZINC000062150575 214702865 /nfs/dbraw/zinc/70/28/65/214702865.db2.gz OBCISWGKDWDPIS-UHFFFAOYSA-N 0 0 342.508 4.259 50 0 EIAARN O=C(CSc1ccccc1)Nc1nnc(-c2ccccc2Cl)o1 ZINC000004496676 210203822 /nfs/dbraw/zinc/20/38/22/210203822.db2.gz MYJXQPDWOVPHAJ-UHFFFAOYSA-N 0 0 345.811 4.121 50 0 EIAARN COc1cccc2sc(NC(=O)CSc3ccc(F)cc3)nc21 ZINC000004496699 210203466 /nfs/dbraw/zinc/20/34/66/210203466.db2.gz BOJYSEGVQMXCPD-UHFFFAOYSA-N 0 0 348.424 4.175 50 0 EIAARN c1coc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)N=C3N=CNN32)c1 ZINC000100435507 219099100 /nfs/dbraw/zinc/09/91/00/219099100.db2.gz MSMZLFRGZQEXER-LJQANCHMSA-N 0 0 340.386 4.247 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)Nc1c(F)cccc1F ZINC000004484559 210199722 /nfs/dbraw/zinc/19/97/22/210199722.db2.gz RCSSYJOFMTVYAI-UHFFFAOYSA-N 0 0 347.390 4.065 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)Nc1cc(F)ccc1C ZINC000004484423 210199519 /nfs/dbraw/zinc/19/95/19/210199519.db2.gz JOHMNRQNCNADND-UHFFFAOYSA-N 0 0 343.427 4.235 50 0 EIAARN COc1cc2nc(NC(=O)c3ccc(Cl)cc3)sc2cc1OC ZINC000004479894 210198731 /nfs/dbraw/zinc/19/87/31/210198731.db2.gz UEAMYICSFHZDPT-UHFFFAOYSA-N 0 0 348.811 4.219 50 0 EIAARN O=C(Nc1nc2ccccc2s1)C1(c2cccs2)CCOCC1 ZINC000004478933 210198547 /nfs/dbraw/zinc/19/85/47/210198547.db2.gz ZTUASSVJUXOZIO-UHFFFAOYSA-N 0 0 344.461 4.045 50 0 EIAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)c1 ZINC000004479501 210198579 /nfs/dbraw/zinc/19/85/79/210198579.db2.gz AXAQVZKLNNBEBB-UHFFFAOYSA-N 0 0 347.418 4.485 50 0 EIAARN CC1=N/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)O1 ZINC000004473580 210196009 /nfs/dbraw/zinc/19/60/09/210196009.db2.gz OHANLYDOOLURFQ-YBEGLDIGSA-N 0 0 327.767 4.235 50 0 EIAARN CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O ZINC000004457107 210193577 /nfs/dbraw/zinc/19/35/77/210193577.db2.gz YHKRMUYDMVTNKX-JASJWYONSA-N 0 0 344.411 4.451 50 0 EIAARN COc1c2cc(Cl)ccc2sc1C(=O)NCc1ccc(C)o1 ZINC000064756587 214803029 /nfs/dbraw/zinc/80/30/29/214803029.db2.gz FBPWAUCIQILDBU-UHFFFAOYSA-N 0 0 335.812 4.395 50 0 EIAARN CCOc1ccc(C[C@H]2C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000101014488 219113393 /nfs/dbraw/zinc/11/33/93/219113393.db2.gz UEACTWBMNZTLBV-CQSZACIVSA-N 0 0 331.799 4.026 50 0 EIAARN CCCCCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(C)o1 ZINC000064787782 214803569 /nfs/dbraw/zinc/80/35/69/214803569.db2.gz SLECPSXMDRYESF-UHFFFAOYSA-N 0 0 342.399 4.272 50 0 EIAARN Cc1ccc(CSc2nnc3ccc(-c4cccs4)nn32)cc1 ZINC000004376855 210183417 /nfs/dbraw/zinc/18/34/17/210183417.db2.gz YNNFFMVZPXMIPH-UHFFFAOYSA-N 0 0 338.461 4.454 50 0 EIAARN O=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccsc2)o1 ZINC000049029075 213978638 /nfs/dbraw/zinc/97/86/38/213978638.db2.gz BLJDUWIFBZCKIJ-AATRIKPKSA-N 0 0 331.784 4.103 50 0 EIAARN Cc1ccccc1CSc1ncc(CO)n1Cc1ccc(F)cc1 ZINC000004382445 210182830 /nfs/dbraw/zinc/18/28/30/210182830.db2.gz FILGYBCSNZUFOY-UHFFFAOYSA-N 0 0 342.439 4.164 50 0 EIAARN O=C1[C@@H]2[C@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000101137290 219116951 /nfs/dbraw/zinc/11/69/51/219116951.db2.gz KFWBPLWYFUKRBD-XMTFNYHQSA-N 0 0 341.838 4.356 50 0 EIAARN CCCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(F)ccc21 ZINC000049001940 213976042 /nfs/dbraw/zinc/97/60/42/213976042.db2.gz NROXQJYUCHQTFH-UHFFFAOYSA-N 0 0 349.365 4.268 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3NCCCc2ccccc2)cc1 ZINC000004354893 210179340 /nfs/dbraw/zinc/17/93/40/210179340.db2.gz XTEARZCLGHZRRY-UHFFFAOYSA-N 0 0 343.434 4.169 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3NCCC2=CCCCC2)cc1 ZINC000004355054 210178851 /nfs/dbraw/zinc/17/88/51/210178851.db2.gz TWJSQKHZNIUEDA-UHFFFAOYSA-N 0 0 333.439 4.426 50 0 EIAARN COC(=O)c1cc(Nc2ccc(F)cc2C)c2cccc(F)c2n1 ZINC000065033705 214824372 /nfs/dbraw/zinc/82/43/72/214824372.db2.gz MGNJFBKQAZKPFY-UHFFFAOYSA-N 0 0 328.318 4.352 50 0 EIAARN CC(C)c1nc(-n2cccc2)sc1C(=O)NCCc1ccccc1 ZINC000065118563 214830122 /nfs/dbraw/zinc/83/01/22/214830122.db2.gz OBSZLGNWZIMQMT-UHFFFAOYSA-N 0 0 339.464 4.030 50 0 EIAARN CCn1cc2c3c1cccc3CN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000065148587 214831876 /nfs/dbraw/zinc/83/18/76/214831876.db2.gz UWTZPJCTQDKVDS-UHFFFAOYSA-N 0 0 340.373 4.138 50 0 EIAARN CCc1nnc(-c2cc(NC(=O)c3cc(F)ccc3F)c(C)s2)o1 ZINC000065149274 214832640 /nfs/dbraw/zinc/83/26/40/214832640.db2.gz KMAAEZPGPAYWKY-UHFFFAOYSA-N 0 0 349.362 4.199 50 0 EIAARN COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1 ZINC000101390516 219125586 /nfs/dbraw/zinc/12/55/86/219125586.db2.gz LSZITCOEDRZMEN-VBKFSLOCSA-N 0 0 340.404 4.318 50 0 EIAARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1ccc(F)cc1 ZINC000065149371 214833178 /nfs/dbraw/zinc/83/31/78/214833178.db2.gz QXNDWUFUVUEBPS-UHFFFAOYSA-N 0 0 343.383 4.375 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc(-c2nc3cccnc3n2C(C)C)c1 ZINC000065172725 214838344 /nfs/dbraw/zinc/83/83/44/214838344.db2.gz PFGICXUAEFJEQK-CQSZACIVSA-N 0 0 336.439 4.208 50 0 EIAARN Cc1ccc(C(=O)NCCc2cn(CC(C)C)c3ncccc23)c(C)c1 ZINC000065163977 214835494 /nfs/dbraw/zinc/83/54/94/214835494.db2.gz RNFYSQYTSUIAQK-UHFFFAOYSA-N 0 0 349.478 4.282 50 0 EIAARN C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(-c3ccccc3)cc1)C2=O ZINC000004308987 210166283 /nfs/dbraw/zinc/16/62/83/210166283.db2.gz MKTASFILKHBQTM-AOMKIAJQSA-N 0 0 348.446 4.354 50 0 EIAARN CCCCCOc1ccc([C@H](C)NC(=O)c2ccoc2)cc1OC ZINC000048354937 213929063 /nfs/dbraw/zinc/92/90/63/213929063.db2.gz YKGNMXIVQFZNSA-AWEZNQCLSA-N 0 0 331.412 4.348 50 0 EIAARN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000048373869 213933702 /nfs/dbraw/zinc/93/37/02/213933702.db2.gz GTDLGLUBDQCVGG-VIFPVBQESA-N 0 0 338.816 4.071 50 0 EIAARN Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 ZINC000004292016 210162515 /nfs/dbraw/zinc/16/25/15/210162515.db2.gz WWJVOGUSXDDUAQ-CTNGQTDRSA-N 0 0 345.377 4.463 50 0 EIAARN CCc1ccc(C(=O)[C@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000004286621 210162100 /nfs/dbraw/zinc/16/21/00/210162100.db2.gz JQFWWSVYMLWEPO-HNNXBMFYSA-N 0 0 349.430 4.478 50 0 EIAARN CN(C)c1ccc(NC(=O)N[C@H](c2ccccc2)C2CCCC2)cn1 ZINC000048333350 213923615 /nfs/dbraw/zinc/92/36/15/213923615.db2.gz LERLDEUHSRSBFN-LJQANCHMSA-N 0 0 338.455 4.201 50 0 EIAARN CNC(=O)c1ccsc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004281743 210160739 /nfs/dbraw/zinc/16/07/39/210160739.db2.gz JTLMPNZEXDWMHO-UHFFFAOYSA-N 0 0 336.416 4.027 50 0 EIAARN Cc1nc(Nc2cc(C)ccn2)sc1C(=O)Nc1ccccc1C ZINC000065306306 214867817 /nfs/dbraw/zinc/86/78/17/214867817.db2.gz OJXNXVSWTVMWSD-UHFFFAOYSA-N 0 0 338.436 4.459 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2)o1)c1cc(Cl)sc1Cl ZINC000004276186 210157969 /nfs/dbraw/zinc/15/79/69/210157969.db2.gz RCZXMBSBNUDGBH-UHFFFAOYSA-N 0 0 340.191 4.357 50 0 aggregator EIAARN O=C1C[C@H](c2ccccc2)Sc2nc(-c3ccc(Cl)cc3)nn21 ZINC000004268660 210157268 /nfs/dbraw/zinc/15/72/68/210157268.db2.gz DVDBHNUIXBPZFX-CQSZACIVSA-N 0 0 341.823 4.476 50 0 EIAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)c3ccsc3)n2)c1 ZINC000065320375 214870033 /nfs/dbraw/zinc/87/00/33/214870033.db2.gz BDKMAFVGTSCZFP-OAHLLOKOSA-N 0 0 339.420 4.084 50 0 EIAARN CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000065331545 214871858 /nfs/dbraw/zinc/87/18/58/214871858.db2.gz LSETWYVKWUXWSA-GOSISDBHSA-N 0 0 347.418 4.054 50 0 EIAARN Cc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCC2)cc1 ZINC000004254190 210153613 /nfs/dbraw/zinc/15/36/13/210153613.db2.gz PUXWTCBYGAVDTM-UHFFFAOYSA-N 0 0 347.466 4.469 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc2ccccc2n1 ZINC000048242148 213901902 /nfs/dbraw/zinc/90/19/02/213901902.db2.gz YFCAMUZHKINIBD-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)Nc1cc(=O)oc2ccccc12 ZINC000101607643 219145052 /nfs/dbraw/zinc/14/50/52/219145052.db2.gz PAFYKSPMZAKJJR-UHFFFAOYSA-N 0 0 345.807 4.177 50 0 EIAARN O=C(NCC1(c2ccccc2)CC1)Nc1cccc(OC(F)F)c1 ZINC000047908565 213873669 /nfs/dbraw/zinc/87/36/69/213873669.db2.gz AFLDESGZFGHQCY-UHFFFAOYSA-N 0 0 332.350 4.141 50 0 EIAARN COc1ccccc1[C@H]1C[C@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000065496048 214933178 /nfs/dbraw/zinc/93/31/78/214933178.db2.gz RVEZHVDNUUIBDP-IAGOWNOFSA-N 0 0 327.449 4.051 50 0 EIAARN O=C(NCCCCc1nccs1)Nc1ccccc1C(F)(F)F ZINC000065515182 214941034 /nfs/dbraw/zinc/94/10/34/214941034.db2.gz SCKNBNAPCBTRGM-UHFFFAOYSA-N 0 0 343.374 4.306 50 0 EIAARN COc1cc2c(cc1O)NC(=O)C[C@@H]2c1oc2ccc(C)cc2c1C ZINC000065526074 214946772 /nfs/dbraw/zinc/94/67/72/214946772.db2.gz MUDHBVVRSSCPAH-AWEZNQCLSA-N 0 0 337.375 4.238 50 0 EIAARN Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000004140741 210130719 /nfs/dbraw/zinc/13/07/19/210130719.db2.gz JJGHVQNGNRZIMN-KRWDZBQOSA-N 0 0 325.371 4.498 50 0 EIAARN CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2 ZINC000004134512 210129472 /nfs/dbraw/zinc/12/94/72/210129472.db2.gz PPFLUKYHYXIBFN-UHFFFAOYSA-N 0 0 346.477 4.222 50 0 EIAARN COc1cc(C(=O)Nc2ccc3sccc3c2)cc(OC)c1OC ZINC000004134734 210129046 /nfs/dbraw/zinc/12/90/46/210129046.db2.gz BRXDBWWLPCZOKM-UHFFFAOYSA-N 0 0 343.404 4.179 50 0 EIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(C)=O)c1 ZINC000047157716 213833261 /nfs/dbraw/zinc/83/32/61/213833261.db2.gz OSLIUMYUSMNGQW-UHFFFAOYSA-N 0 0 349.390 4.061 50 0 EIAARN Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2F)cc1C ZINC000004120510 210126770 /nfs/dbraw/zinc/12/67/70/210126770.db2.gz VMONKUJMWSVXKB-UHFFFAOYSA-N 0 0 342.439 4.188 50 0 EIAARN O=C(c1ccccc1)N1CCN=C1SCc1cccc(Cl)c1 ZINC000004120599 210126376 /nfs/dbraw/zinc/12/63/76/210126376.db2.gz LQMQTDRYDMSQNK-UHFFFAOYSA-N 0 0 330.840 4.085 50 0 EIAARN Cc1cccc(CSC2=NCCN2C(=O)c2cccc(Cl)c2)c1 ZINC000004120204 210125400 /nfs/dbraw/zinc/12/54/00/210125400.db2.gz PVEJUKOXQRSWEK-UHFFFAOYSA-N 0 0 344.867 4.394 50 0 EIAARN O=C(c1ccccc1Cl)N1CCN=C1SCc1ccccc1 ZINC000004119809 210124887 /nfs/dbraw/zinc/12/48/87/210124887.db2.gz ZQKJLYWWNIQPMQ-UHFFFAOYSA-N 0 0 330.840 4.085 50 0 EIAARN CCCOc1ccc(C(=O)Nc2c3nsnc3ccc2C)cc1 ZINC000004093690 210119544 /nfs/dbraw/zinc/11/95/44/210119544.db2.gz DVUMVBBATRTLCP-UHFFFAOYSA-N 0 0 327.409 4.041 50 0 EIAARN Cc1ccc([C@@]2(CC(=O)NCC(C)C)CCO[C@@H](C(C)C)C2)cc1 ZINC000004087953 210116940 /nfs/dbraw/zinc/11/69/40/210116940.db2.gz QIAVYIRNOGKASV-CTNGQTDRSA-N 0 0 331.500 4.230 50 0 biogenic EIAARN COc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 ZINC000004072144 210113872 /nfs/dbraw/zinc/11/38/72/210113872.db2.gz PZXDOKTWAIXURB-UHFFFAOYSA-N 0 0 345.811 4.119 50 0 EIAARN COc1ccccc1-c1c[nH]cc1C(=O)N(C)CCc1ccccc1 ZINC000065626274 214988633 /nfs/dbraw/zinc/98/86/33/214988633.db2.gz HGUPRKOKVZFXMK-UHFFFAOYSA-N 0 0 334.419 4.005 50 0 EIAARN COCc1ccccc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000046176775 213789231 /nfs/dbraw/zinc/78/92/31/213789231.db2.gz AKGGHXQZQIZGGU-MRXNPFEDSA-N 0 0 347.867 4.453 50 0 EIAARN Cc1c(C(=O)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2n1C ZINC000004062658 210111912 /nfs/dbraw/zinc/11/19/12/210111912.db2.gz XEJFIQVGJLHPIY-UHFFFAOYSA-N 0 0 340.810 4.270 50 0 EIAARN S=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000004059415 210109782 /nfs/dbraw/zinc/10/97/82/210109782.db2.gz MYTFHYVBHDSQPT-IBGZPJMESA-N 0 0 333.460 4.290 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC(C)(C)C)n1 ZINC000004050112 210108078 /nfs/dbraw/zinc/10/80/78/210108078.db2.gz QIOCRCNQUZAYHU-UHFFFAOYSA-N 0 0 347.480 4.265 50 0 EIAARN CC[C@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1ccccc1C ZINC000046078013 213778694 /nfs/dbraw/zinc/77/86/94/213778694.db2.gz LTHKORZOUBYYEG-SFHVURJKSA-N 0 0 341.846 4.361 50 0 EIAARN CC[C@@](C)(Nc1ccccc1)c1nnnn1-c1cc(Cl)ccc1C ZINC000004042540 210107641 /nfs/dbraw/zinc/10/76/41/210107641.db2.gz WAOXLRDKINNHQB-GOSISDBHSA-N 0 0 341.846 4.361 50 0 EIAARN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000046018193 213774030 /nfs/dbraw/zinc/77/40/30/213774030.db2.gz NMYSHUPXWOPZFI-KRWDZBQOSA-N 0 0 335.856 4.174 50 0 EIAARN COc1ccc(-c2nc(SCc3cccc(C)c3)n[nH]2)c(OC)c1 ZINC000066006043 215002823 /nfs/dbraw/zinc/00/28/23/215002823.db2.gz QVDAXJGGPMUIFP-UHFFFAOYSA-N 0 0 341.436 4.090 50 0 EIAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C)c1C ZINC000045967285 213769650 /nfs/dbraw/zinc/76/96/50/213769650.db2.gz SDDWTMSJQDSTDA-UHFFFAOYSA-N 0 0 335.407 4.124 50 0 EIAARN COc1cc2nc(=S)n(C3CCCCCC3)c(N)c2cc1OC ZINC000004014567 210100136 /nfs/dbraw/zinc/10/01/36/210100136.db2.gz RWYBANSVWMIWSK-UHFFFAOYSA-N 0 0 333.457 4.091 50 0 EIAARN COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1Cl ZINC000004006275 210098622 /nfs/dbraw/zinc/09/86/22/210098622.db2.gz SZQLAWNXRYASKW-HNNXBMFYSA-N 0 0 348.855 4.143 50 0 EIAARN CSc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000003907646 210091275 /nfs/dbraw/zinc/09/12/75/210091275.db2.gz IWDFDGSIEMFHFH-UHFFFAOYSA-N 0 0 328.368 4.455 50 0 EIAARN O=C(NCc1ccccc1)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000003876461 210081839 /nfs/dbraw/zinc/08/18/39/210081839.db2.gz WPBLDVUCHRORRC-UHFFFAOYSA-N 0 0 327.387 4.160 50 0 EIAARN CCCCCC(=O)Nc1nnc(CSCc2ccccc2)s1 ZINC000003666928 210071417 /nfs/dbraw/zinc/07/14/17/210071417.db2.gz RNXJUEREWWHISB-UHFFFAOYSA-N 0 0 335.498 4.490 50 0 EIAARN Cc1ccc(Sc2c(C)c3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000003638771 210070309 /nfs/dbraw/zinc/07/03/09/210070309.db2.gz OMDGQMOZSIWGNZ-UHFFFAOYSA-N 0 0 325.389 4.025 50 0 EIAARN CCOc1ccccc1C(=O)Nc1n[nH]c(C)c1-c1ccc(C)cc1 ZINC000066407661 215038338 /nfs/dbraw/zinc/03/83/38/215038338.db2.gz AWWQDYZEBMCQCT-UHFFFAOYSA-N 0 0 335.407 4.345 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000003607377 210065069 /nfs/dbraw/zinc/06/50/69/210065069.db2.gz FWIHQEHBPKZJHA-CYBMUJFWSA-N 0 0 331.799 4.257 50 0 EIAARN Cc1ccc(CS(=O)(=O)C(Cl)(Cl)c2ccccc2)cc1 ZINC000045069255 213705378 /nfs/dbraw/zinc/70/53/78/213705378.db2.gz AHMNNOSIMWYEKD-UHFFFAOYSA-N 0 0 329.248 4.198 50 0 EIAARN O=C(NCc1ccco1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000003561710 210055685 /nfs/dbraw/zinc/05/56/85/210055685.db2.gz BFHNXJOPQXZEKI-UHFFFAOYSA-N 0 0 349.415 4.124 50 0 EIAARN COC(=O)c1ccc(CSc2ncnc3sc(C)c(C)c32)cc1 ZINC000003562722 210056559 /nfs/dbraw/zinc/05/65/59/210056559.db2.gz VSFSCSUJARWZPN-UHFFFAOYSA-N 0 0 344.461 4.387 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1OC ZINC000003565472 210056422 /nfs/dbraw/zinc/05/64/22/210056422.db2.gz NYEGWDHJYKAFON-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN O=C(CSc1nnc(NCc2ccccc2)s1)c1ccccc1 ZINC000003562874 210055708 /nfs/dbraw/zinc/05/57/08/210055708.db2.gz BVHLYOWTALIEFB-UHFFFAOYSA-N 0 0 341.461 4.125 50 0 EIAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc(F)c1 ZINC000003554629 210052886 /nfs/dbraw/zinc/05/28/86/210052886.db2.gz DGTXATCWTBKUPS-UHFFFAOYSA-N 0 0 334.322 4.480 50 0 EIAARN Cc1ccc(C)c(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1 ZINC000102549927 219209785 /nfs/dbraw/zinc/20/97/85/219209785.db2.gz ZEFIFGVSTCXILK-QRVBRYPASA-N 0 0 333.431 4.377 50 0 EIAARN O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C(=O)N1c1ccccc1Cl ZINC000102604137 219213876 /nfs/dbraw/zinc/21/38/76/219213876.db2.gz NTXHRJAYPLDINI-XHSDSOJGSA-N 0 0 339.822 4.413 50 0 EIAARN O=C1NC2(CCCCCCC2)C(=O)N1Cc1c(F)cccc1Cl ZINC000003463334 210046680 /nfs/dbraw/zinc/04/66/80/210046680.db2.gz HNXYTIKTXOORMV-UHFFFAOYSA-N 0 0 338.810 4.014 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)CCc1ccccc1 ZINC000003451635 210043369 /nfs/dbraw/zinc/04/33/69/210043369.db2.gz LAKVFVUJTXYBOG-MRXNPFEDSA-N 0 0 347.462 4.240 50 0 EIAARN CN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1cccc(F)c1 ZINC000003453876 210044147 /nfs/dbraw/zinc/04/41/47/210044147.db2.gz RXEQWRYIXKHBCG-UHFFFAOYSA-N 0 0 341.213 4.203 50 0 EIAARN Cc1ccc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000044891572 213660830 /nfs/dbraw/zinc/66/08/30/213660830.db2.gz HHFVZFWUMQVJGC-IBGZPJMESA-N 0 0 333.435 4.168 50 0 EIAARN O=C(Cc1ccccc1F)Nc1cc(Cl)ccc1N1CCCC1 ZINC000003437338 210039140 /nfs/dbraw/zinc/03/91/40/210039140.db2.gz JWYJTAXJSRIYAS-UHFFFAOYSA-N 0 0 332.806 4.261 50 0 EIAARN CCC(=O)c1ccc(OCC(=O)Nc2c(CC)cccc2CC)cc1 ZINC000003422975 210035872 /nfs/dbraw/zinc/03/58/72/210035872.db2.gz LDLHBNKUMNVJLZ-UHFFFAOYSA-N 0 0 339.435 4.422 50 0 EIAARN CSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1C(=O)CCCC1=N2 ZINC000102665623 219220250 /nfs/dbraw/zinc/22/02/50/219220250.db2.gz ZJEKYKPJCRBHNZ-AWEZNQCLSA-N 0 0 346.843 4.325 50 0 EIAARN COc1cc(C)c(CSc2ccc(NC(C)=O)cc2)cc1OC ZINC000003417121 210033315 /nfs/dbraw/zinc/03/33/15/210033315.db2.gz PRNLLFNUNILYRU-UHFFFAOYSA-N 0 0 331.437 4.263 50 0 EIAARN CCc1nc2ccccc2c(C(=O)Oc2ccc(C(=O)OC)cc2)c1C ZINC000003409889 210031935 /nfs/dbraw/zinc/03/19/35/210031935.db2.gz ITUZKPPGGNKURD-UHFFFAOYSA-N 0 0 349.386 4.111 50 0 EIAARN CN(Cc1ccccc1F)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000003405703 210029952 /nfs/dbraw/zinc/02/99/52/210029952.db2.gz AWDIGHLNYRTFCR-UHFFFAOYSA-N 0 0 326.799 4.447 50 0 EIAARN CC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000003403023 210028703 /nfs/dbraw/zinc/02/87/03/210028703.db2.gz OEOLZMPQGQRYBH-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(OC)cc1 ZINC000003392461 210026535 /nfs/dbraw/zinc/02/65/35/210026535.db2.gz SQWMEZOEQKVFEU-AWEZNQCLSA-N 0 0 341.407 4.004 50 0 EIAARN Cc1nnc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)s1 ZINC000003389198 210025448 /nfs/dbraw/zinc/02/54/48/210025448.db2.gz WLYLXMCFOFKOEV-ZCFIWIBFSA-N 0 0 348.280 4.273 50 0 EIAARN CC(=O)c1ccccc1OCCCCOc1ccccc1C(C)=O ZINC000003388076 210025301 /nfs/dbraw/zinc/02/53/01/210025301.db2.gz DUFQDQYTQJTEHO-UHFFFAOYSA-N 0 0 326.392 4.330 50 0 EIAARN CCN(CCOC(=O)c1nc(Cl)ccc1Cl)c1ccccc1 ZINC000003382566 210023617 /nfs/dbraw/zinc/02/36/17/210023617.db2.gz MASMZIWKTNBMNN-UHFFFAOYSA-N 0 0 339.222 4.072 50 0 EIAARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c(OC)c1 ZINC000102731925 219226194 /nfs/dbraw/zinc/22/61/94/219226194.db2.gz JMUVVGCEEZVUJM-QGZVFWFLSA-N 0 0 340.379 4.214 50 0 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Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)ccc1Cl ZINC000040478375 213314307 /nfs/dbraw/zinc/31/43/07/213314307.db2.gz URBBXNMNPBQGPB-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN CC(C)[C@H](NCc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000040466368 213308760 /nfs/dbraw/zinc/30/87/60/213308760.db2.gz IPFLOEVCTXTNNP-SFHVURJKSA-N 0 0 325.387 4.363 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@H](c3ccc(O)cc3)O2)C1 ZINC000040449999 213304918 /nfs/dbraw/zinc/30/49/18/213304918.db2.gz DCQWZNDAHMRGIR-VQIMIIECSA-N 0 0 333.428 4.013 50 0 EIAARN O=C1C[C@@H](c2c(F)cccc2F)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040287089 213288727 /nfs/dbraw/zinc/28/87/27/213288727.db2.gz PMKFMDFOPHICJR-LBPRGKRZSA-N 0 0 343.308 4.413 50 0 EIAARN O=C1C[C@@H](c2ccsc2)c2ncn(-c3cc(F)cc(F)c3)c2N1 ZINC000040287845 213288752 /nfs/dbraw/zinc/28/87/52/213288752.db2.gz XLQZYFPGFBNIQB-ZDUSSCGKSA-N 0 0 331.347 4.336 50 0 EIAARN O=C1C[C@H](c2cccc(F)c2)c2ncn(-c3cc(F)ccc3F)c2N1 ZINC000040287462 213288694 /nfs/dbraw/zinc/28/86/94/213288694.db2.gz 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343.814 4.010 50 0 EIAARN COCCN(Cc1ccccc1)C(=O)c1cc2cc(C)ccc2nc1C ZINC000040018243 213251192 /nfs/dbraw/zinc/25/11/92/213251192.db2.gz SXRVKKSPBYMTLB-UHFFFAOYSA-N 0 0 348.446 4.140 50 0 EIAARN COc1cc(NC(=O)N[C@@H](c2cccs2)C(C)C)cc(OC)c1 ZINC000040024001 213251067 /nfs/dbraw/zinc/25/10/67/213251067.db2.gz ZQGJDWLFWRWVME-MRXNPFEDSA-N 0 0 334.441 4.284 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(F)cc2)cc1 ZINC000040009490 213250431 /nfs/dbraw/zinc/25/04/31/213250431.db2.gz SQGCTELUOOJCAN-SFHVURJKSA-N 0 0 345.439 4.290 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCC1=CCCCC1 ZINC000039996385 213248680 /nfs/dbraw/zinc/24/86/80/213248680.db2.gz XBBYBYKAASZQBP-UHFFFAOYSA-N 0 0 331.504 4.095 50 0 EIAARN Cc1cc(SC2CCCCC2)ccc1NC(=O)CCn1cncn1 ZINC000069616113 215498138 /nfs/dbraw/zinc/49/81/38/215498138.db2.gz XUDBTBNQBYSSJC-UHFFFAOYSA-N 0 0 344.484 4.040 50 0 EIAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccco1 ZINC000039553339 213240437 /nfs/dbraw/zinc/24/04/37/213240437.db2.gz 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/nfs/dbraw/zinc/70/85/44/209708544.db2.gz CJAGNOBAFAJICM-UHFFFAOYSA-N 0 0 339.391 4.248 50 0 EIAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2CO1 ZINC000001063118 209706103 /nfs/dbraw/zinc/70/61/03/209706103.db2.gz OXBAXDSHHKIODY-JOCHJYFZSA-N 0 0 346.430 4.332 50 0 EIAARN COc1cccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c1OC ZINC000001059596 209705820 /nfs/dbraw/zinc/70/58/20/209705820.db2.gz VEHCNYMSNUVVBG-INIZCTEOSA-N 0 0 333.387 4.331 50 0 EIAARN O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)C1CCC1 ZINC000001003841 209698431 /nfs/dbraw/zinc/69/84/31/209698431.db2.gz GSRFAHSCSGOPCG-UHFFFAOYSA-N 0 0 326.421 4.092 50 0 EIAARN O=C(C1CCCCC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000038666445 213219457 /nfs/dbraw/zinc/21/94/57/213219457.db2.gz SUFDINRGYBUYRZ-AWEZNQCLSA-N 0 0 345.468 4.084 50 0 EIAARN CCOc1ccc(Br)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000000617455 209682465 /nfs/dbraw/zinc/68/24/65/209682465.db2.gz MIKGXKORVQITLI-LBPRGKRZSA-N 0 0 348.240 4.339 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc(Br)cc1 ZINC000000614947 209680261 /nfs/dbraw/zinc/68/02/61/209680261.db2.gz HWTMAJRLALNEMF-UHFFFAOYSA-N 0 0 342.595 4.423 50 0 EIAARN CC(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000000572335 209669327 /nfs/dbraw/zinc/66/93/27/209669327.db2.gz QSSIKWICFNUCSA-MRXNPFEDSA-N 0 0 333.435 4.213 50 0 EIAARN O=C(Nc1nc2c(s1)C(=O)CCC2)C1(c2cccs2)CCCC1 ZINC000038490479 213211197 /nfs/dbraw/zinc/21/11/97/213211197.db2.gz IWUAYAUIRSFECM-UHFFFAOYSA-N 0 0 346.477 4.174 50 0 EIAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(Cl)c(Cl)c1 ZINC000000578765 209670947 /nfs/dbraw/zinc/67/09/47/209670947.db2.gz WAQWQGDWNGPFCR-UHFFFAOYSA-N 0 0 334.158 4.352 50 0 EIAARN O=C(Nc1nc2c(cc(F)cc2F)s1)Nc1c(F)cccc1F ZINC000038488581 213210155 /nfs/dbraw/zinc/21/01/55/213210155.db2.gz TWCCJUQVTJESNN-UHFFFAOYSA-N 0 0 341.289 4.497 50 0 EIAARN COc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000000567316 209666883 /nfs/dbraw/zinc/66/68/83/209666883.db2.gz TUELMJUVFRQJIR-GFCCVEGCSA-N 0 0 335.856 4.146 50 0 EIAARN Cc1cccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1 ZINC000000560757 209664236 /nfs/dbraw/zinc/66/42/36/209664236.db2.gz UORXMCPWNJRSCM-UHFFFAOYSA-N 0 0 334.419 4.427 50 0 EIAARN C[C@@H](N[C@H](C)c1nnnn1-c1ccccc1)c1cc2ccccc2s1 ZINC000184367568 235379074 /nfs/dbraw/zinc/37/90/74/235379074.db2.gz MCGHRLKZGQDIDU-ZIAGYGMSSA-N 0 0 349.463 4.289 50 0 EIAARN COc1cccc(-c2nn3c(nnc3-c3ccc(Cl)cc3)s2)c1 ZINC000000554670 209661563 /nfs/dbraw/zinc/66/15/63/209661563.db2.gz GXDYAPBUVMXHJY-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN Cc1ccc([C@@H]2N(c3ccc(Cl)cc3)C(=O)N3CCCN23)cc1 ZINC000000546619 209659211 /nfs/dbraw/zinc/65/92/11/209659211.db2.gz AXKJDISEYVHZNG-KRWDZBQOSA-N 0 0 327.815 4.210 50 0 EIAARN CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccs1 ZINC000000526232 209647850 /nfs/dbraw/zinc/64/78/50/209647850.db2.gz WNJFIVGBJDQDSS-UHFFFAOYSA-N 0 0 331.466 4.327 50 0 EIAARN COc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000514290 209641774 /nfs/dbraw/zinc/64/17/74/209641774.db2.gz JBWRDDKFZZWUCZ-JTQLQIEISA-N 0 0 340.206 4.408 50 0 EIAARN COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000069741417 215560854 /nfs/dbraw/zinc/56/08/54/215560854.db2.gz PNUXBXRUGZZWAS-HKUYNNGSSA-N 0 0 339.460 4.076 50 0 EIAARN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OC)cc21 ZINC000000503643 209637843 /nfs/dbraw/zinc/63/78/43/209637843.db2.gz WJDMSFFQDCUZMF-UHFFFAOYSA-N 0 0 339.391 4.133 50 0 biogenic EIAARN CCCN(Cc1ccccc1)C(=O)c1cc(Br)cn1CC ZINC000037843713 213169207 /nfs/dbraw/zinc/16/92/07/213169207.db2.gz XBRNSBSXFHBDLW-UHFFFAOYSA-N 0 0 349.272 4.323 50 0 EIAARN O=C(NCCCCCc1nc2ccccc2[nH]1)c1ccccc1Cl ZINC000037866170 213172013 /nfs/dbraw/zinc/17/20/13/213172013.db2.gz NQIRQAPCACYPEB-UHFFFAOYSA-N 0 0 341.842 4.359 50 0 EIAARN Cc1ccnc(N(C(=O)Nc2ccccc2)C2=NCC(C)(C)S2)c1 ZINC000000497197 209635600 /nfs/dbraw/zinc/63/56/00/209635600.db2.gz ZSAQGMLWYQDSOD-UHFFFAOYSA-N 0 0 340.452 4.310 50 0 EIAARN CC(C)=CCn1c(C(=O)NCCc2ccccn2)cc2sccc21 ZINC000037525728 213152424 /nfs/dbraw/zinc/15/24/24/213152424.db2.gz POVBDNXXLRVPEI-UHFFFAOYSA-N 0 0 339.464 4.037 50 0 EIAARN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(Nc2ccccc2)CC1 ZINC000069895468 215622493 /nfs/dbraw/zinc/62/24/93/215622493.db2.gz MOPBJIITZQASBA-INIZCTEOSA-N 0 0 348.450 4.374 50 0 EIAARN O=C(C[C@H]1C=CCC1)N[C@@H](c1cc2ccccc2o1)c1ccncc1 ZINC000069898088 215623785 /nfs/dbraw/zinc/62/37/85/215623785.db2.gz QUURXKZVUMHTCK-YCRPNKLZSA-N 0 0 332.403 4.390 50 0 EIAARN COC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CC[C@H](C)C2 ZINC000000483972 209629483 /nfs/dbraw/zinc/62/94/83/209629483.db2.gz XDYCFCOAZXAOBK-JTQLQIEISA-N 0 0 349.496 4.280 50 0 EIAARN C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000000482413 209628307 /nfs/dbraw/zinc/62/83/07/209628307.db2.gz SIIHVHAXTBHGEU-NSHDSACASA-N 0 0 337.202 4.351 50 0 EIAARN CC1(C)C[C@H](NC(=O)C[C@H](c2ccco2)c2ccc(F)cc2)CCO1 ZINC000000472376 209623851 /nfs/dbraw/zinc/62/38/51/209623851.db2.gz ASBIGRMSMVGJFG-SJORKVTESA-N 0 0 345.414 4.015 50 0 EIAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2Br)c1C ZINC000000466664 209617880 /nfs/dbraw/zinc/61/78/80/209617880.db2.gz PLEJRJJRWGEWBP-CYBMUJFWSA-N 0 0 348.240 4.472 50 0 EIAARN O=C(NN1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000000469265 209620628 /nfs/dbraw/zinc/62/06/28/209620628.db2.gz KVKXUKVCHCGKBH-UHFFFAOYSA-N 0 0 344.842 4.050 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2cc[nH]n2)c1 ZINC000036763212 213117734 /nfs/dbraw/zinc/11/77/34/213117734.db2.gz JOAXEQPFBVUZMF-UHFFFAOYSA-N 0 0 330.391 4.129 50 0 EIAARN Cc1nc2ccccc2nc1Cn1c2ccccc2nc1C(F)(F)F ZINC000036729968 213114793 /nfs/dbraw/zinc/11/47/93/213114793.db2.gz VNROSZOGDHVBCM-UHFFFAOYSA-N 0 0 342.324 4.355 50 0 EIAARN O=C(Nc1cccnc1)c1csc(Nc2cccc(Cl)c2)n1 ZINC000036704629 213110515 /nfs/dbraw/zinc/11/05/15/213110515.db2.gz XJFXAVDJZUCVJI-UHFFFAOYSA-N 0 0 330.800 4.187 50 0 EIAARN Cc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000036714809 213113508 /nfs/dbraw/zinc/11/35/08/213113508.db2.gz ZYDOBWVFYOOIDI-OAQYLSRUSA-N 0 0 348.471 4.388 50 0 EIAARN Cc1cccnc1NC(=O)c1csc(-c2cc3ccccc3[nH]2)n1 ZINC000036708166 213111759 /nfs/dbraw/zinc/11/17/59/213111759.db2.gz XQXAMCZDEZRZQZ-UHFFFAOYSA-N 0 0 334.404 4.247 50 0 EIAARN O=C([C@H]1C[C@H]1c1ccccc1F)N1CCC(Cc2ccccc2)CC1 ZINC000070010759 215660769 /nfs/dbraw/zinc/66/07/69/215660769.db2.gz QBFZDGJNRHJGHZ-PMACEKPBSA-N 0 0 337.438 4.411 50 0 EIAARN COc1ccc(OC)c([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000000451392 209609376 /nfs/dbraw/zinc/60/93/76/209609376.db2.gz JJNQPZGCWQVOCK-HUUCEWRRSA-N 0 0 327.424 4.075 50 0 EIAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCCC[C@H]1C ZINC000036616837 213102951 /nfs/dbraw/zinc/10/29/51/213102951.db2.gz UYRYLDYJTKWPPI-OAHLLOKOSA-N 0 0 348.450 4.133 50 0 EIAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1C ZINC000036621228 213105422 /nfs/dbraw/zinc/10/54/22/213105422.db2.gz QWTAROZFXCSIGL-GOSISDBHSA-N 0 0 349.883 4.483 50 0 EIAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036621134 213105154 /nfs/dbraw/zinc/10/51/54/213105154.db2.gz NXDUCVLRJMAJCY-GOSISDBHSA-N 0 0 349.883 4.428 50 0 EIAARN CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)cc1 ZINC000036621143 213105186 /nfs/dbraw/zinc/10/51/86/213105186.db2.gz XJDWDVZAVULJBR-IBGZPJMESA-N 0 0 329.465 4.083 50 0 EIAARN COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000036620428 213105105 /nfs/dbraw/zinc/10/51/05/213105105.db2.gz ZNFPPSJEAGWJQT-GOSISDBHSA-N 0 0 338.407 4.151 50 0 EIAARN Cc1cc(C(=O)Nc2ccccc2)c2c(n1)onc2-c1ccccc1 ZINC000036617350 213103884 /nfs/dbraw/zinc/10/38/84/213103884.db2.gz GBWIRBWVSIEOBY-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1ccncc1)C1CCC(F)(F)CC1 ZINC000128987359 223008387 /nfs/dbraw/zinc/00/83/87/223008387.db2.gz DPTRLSNIWPDEDE-QGZVFWFLSA-N 0 0 330.378 4.113 50 0 EIAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)c(OC)c1 ZINC000036619749 213103556 /nfs/dbraw/zinc/10/35/56/213103556.db2.gz PPZBHYRFRXZQDL-GOSISDBHSA-N 0 0 340.423 4.381 50 0 EIAARN O=C(c1cccc(Br)c1)N1CCC[C@H]1c1ccsc1 ZINC000036398562 213098852 /nfs/dbraw/zinc/09/88/52/213098852.db2.gz FOIFNYXQGXIYPX-AWEZNQCLSA-N 0 0 336.254 4.488 50 0 EIAARN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000036425565 213097928 /nfs/dbraw/zinc/09/79/28/213097928.db2.gz VRGJKVNTDJWEQF-FQEVSTJZSA-N 0 0 348.471 4.486 50 0 EIAARN CCn1cc(-c2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cn1 ZINC000036613967 213101762 /nfs/dbraw/zinc/10/17/62/213101762.db2.gz BKRWZNAAYNLHCH-UHFFFAOYSA-N 0 0 339.365 4.123 50 0 EIAARN FC(F)c1cc(-c2ccc(Cl)cc2)nc(NC[C@H]2CCCO2)n1 ZINC000036614234 213101893 /nfs/dbraw/zinc/10/18/93/213101893.db2.gz WTPCEXLMZAQPFH-GFCCVEGCSA-N 0 0 339.773 4.326 50 0 EIAARN Cc1cccc(C(=O)Nc2ccccc2SCC(F)(F)F)n1 ZINC000036391622 213094336 /nfs/dbraw/zinc/09/43/36/213094336.db2.gz CZXGBNYERUANII-UHFFFAOYSA-N 0 0 326.343 4.297 50 0 EIAARN CN(C)c1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1 ZINC000036395204 213097361 /nfs/dbraw/zinc/09/73/61/213097361.db2.gz HFHDGQOWIXAYEP-UHFFFAOYSA-N 0 0 333.391 4.192 50 0 EIAARN O=C1C[C@@H](c2ccc(O)cc2)c2ncn(-c3cccc(Cl)c3)c2N1 ZINC000036360838 213091153 /nfs/dbraw/zinc/09/11/53/213091153.db2.gz WGHCJQDBVPGXBJ-HNNXBMFYSA-N 0 0 339.782 4.355 50 0 EIAARN COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(F)cc2)c1 ZINC000036358571 213089771 /nfs/dbraw/zinc/08/97/71/213089771.db2.gz XFJUFGJYKJYDLG-INIZCTEOSA-N 0 0 337.354 4.144 50 0 EIAARN CC(C)c1nnc2sc(Cc3c(Cl)cccc3Cl)nn21 ZINC000036353588 213087634 /nfs/dbraw/zinc/08/76/34/213087634.db2.gz HQTYPAFWVDXKOH-UHFFFAOYSA-N 0 0 327.240 4.207 50 0 EIAARN Clc1cc(Cl)cc(-c2nn3c(nnc3-c3cccnc3)s2)c1 ZINC000036354549 213087606 /nfs/dbraw/zinc/08/76/06/213087606.db2.gz BJWRLMAZHNGASU-UHFFFAOYSA-N 0 0 348.218 4.222 50 0 EIAARN O=C(Nc1ccccc1)N1CCC[C@@H](OCc2cc(F)cc(F)c2)C1 ZINC000036315885 213084550 /nfs/dbraw/zinc/08/45/50/213084550.db2.gz FHGIWZPGGLNYCR-GOSISDBHSA-N 0 0 346.377 4.178 50 0 EIAARN Cc1ccc(OCc2nc(CN(C(=O)C(C)C)C3CC3)cs2)cc1 ZINC000036114712 213069861 /nfs/dbraw/zinc/06/98/61/213069861.db2.gz RRFNZNPWUSBUGJ-UHFFFAOYSA-N 0 0 344.480 4.178 50 0 EIAARN CCC(=O)N(Cc1csc(COc2ccc(C)cc2)n1)C(C)C ZINC000036114666 213070482 /nfs/dbraw/zinc/07/04/82/213070482.db2.gz QPSDITGFZAIOPR-UHFFFAOYSA-N 0 0 332.469 4.178 50 0 EIAARN O=C1CCCc2ccc(NCc3nc(-c4ccccc4F)no3)cc21 ZINC000187506764 236228499 /nfs/dbraw/zinc/22/84/99/236228499.db2.gz PHFVRHHVFIQIAJ-UHFFFAOYSA-N 0 0 337.354 4.007 50 0 EIAARN CC(=O)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(C)C ZINC000036106913 213068349 /nfs/dbraw/zinc/06/83/49/213068349.db2.gz KGCQWXDIGOAZNH-UHFFFAOYSA-N 0 0 332.469 4.096 50 0 EIAARN C[C@@H]1C[C@H](C)CN([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000036067049 213059489 /nfs/dbraw/zinc/05/94/89/213059489.db2.gz DAHVBUUUGZCMAQ-KHYOSLBOSA-N 0 0 348.918 4.418 50 0 EIAARN CCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1OC ZINC000000440508 209601609 /nfs/dbraw/zinc/60/16/09/209601609.db2.gz WGSDTVJSBTXGRK-UHFFFAOYSA-N 0 0 346.452 4.364 50 0 EIAARN COc1ccccc1-c1cc(CN(C(=O)c2ccccc2)C2CC2)no1 ZINC000036004634 213055449 /nfs/dbraw/zinc/05/54/49/213055449.db2.gz BMTRQGPSGJFVCD-UHFFFAOYSA-N 0 0 348.402 4.155 50 0 EIAARN CCCNC(=O)N(Cc1cc(-c2cc(C)ccc2C)on1)C(C)C ZINC000036005675 213054918 /nfs/dbraw/zinc/05/49/18/213054918.db2.gz GLNGTTFHPJAMMN-UHFFFAOYSA-N 0 0 329.444 4.288 50 0 EIAARN O=C(Nc1nnc(SCCc2ccccc2)s1)c1ccccc1 ZINC000035924474 213051595 /nfs/dbraw/zinc/05/15/95/213051595.db2.gz WJGHCBIVMJBXLS-UHFFFAOYSA-N 0 0 341.461 4.125 50 0 EIAARN O=C(c1cccs1)N1CCn2cccc2[C@@H]1c1ccccc1Cl ZINC000035818431 213050475 /nfs/dbraw/zinc/05/04/75/213050475.db2.gz FSLPXSMGUNMITK-KRWDZBQOSA-N 0 0 342.851 4.448 50 0 EIAARN Nc1c(C(=O)c2ccccc2)c2ccccc2n1C(=O)c1ccccc1 ZINC000035682683 213046442 /nfs/dbraw/zinc/04/64/42/213046442.db2.gz CRXFMWNTLWPKTL-UHFFFAOYSA-N 0 0 340.382 4.143 50 0 EIAARN CC[C@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1cccc(C)c1 ZINC000035622152 213042535 /nfs/dbraw/zinc/04/25/35/213042535.db2.gz DOWHAWCSIFGUHF-SFHVURJKSA-N 0 0 341.846 4.361 50 0 EIAARN Oc1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1 ZINC000035616174 213042549 /nfs/dbraw/zinc/04/25/49/213042549.db2.gz LWEZGFNKNZPZHQ-UHFFFAOYSA-N 0 0 336.782 4.499 50 0 EIAARN CCSc1ccc(Cc2nnc(NC(=O)c3cccs3)o2)cc1 ZINC000035588428 213040416 /nfs/dbraw/zinc/04/04/16/213040416.db2.gz VVUVRZMFRNPLBI-UHFFFAOYSA-N 0 0 345.449 4.086 50 0 EIAARN Cc1nn(C(=O)Nc2ccc(Br)cc2)c2ccccc12 ZINC000035422255 213027816 /nfs/dbraw/zinc/02/78/16/213027816.db2.gz OTBSSSYBOOFOEF-UHFFFAOYSA-N 0 0 330.185 4.187 50 0 EIAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1nccs1 ZINC000035476094 213031456 /nfs/dbraw/zinc/03/14/56/213031456.db2.gz MYSUIGVEKJQZLC-UHFFFAOYSA-N 0 0 345.449 4.048 50 0 EIAARN Cc1ccc2ccc3cc(C(=O)NCCc4ccsc4)[nH]c3c2n1 ZINC000035477834 213031604 /nfs/dbraw/zinc/03/16/04/213031604.db2.gz FKOUPEZSCKFYFO-UHFFFAOYSA-N 0 0 335.432 4.059 50 0 EIAARN CC(C)c1cc(NC2CCCCC2)n2nc(-c3cccnc3)nc2n1 ZINC000035477170 213031283 /nfs/dbraw/zinc/03/12/83/213031283.db2.gz IEOUBUCMIXISSU-UHFFFAOYSA-N 0 0 336.443 4.054 50 0 EIAARN CCOc1ccc(Oc2nc3ccccc3n3c(CC)nnc23)cc1 ZINC000035461159 213030702 /nfs/dbraw/zinc/03/07/02/213030702.db2.gz XWSLVRXSHMYAPZ-UHFFFAOYSA-N 0 0 334.379 4.031 50 0 EIAARN Cc1ccc(Nc2nc(C(=O)NCCC(C)C)nc3ccccc32)cc1 ZINC000035429736 213027498 /nfs/dbraw/zinc/02/74/98/213027498.db2.gz UMFYLKJKGSYFHH-UHFFFAOYSA-N 0 0 348.450 4.458 50 0 EIAARN CCc1ccc(Nc2nc(C(=O)NC(C)C)nc3ccccc32)cc1 ZINC000035430036 213027223 /nfs/dbraw/zinc/02/72/23/213027223.db2.gz YAGFGDFNJJCSGL-UHFFFAOYSA-N 0 0 334.423 4.074 50 0 EIAARN Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000071282490 215751817 /nfs/dbraw/zinc/75/18/17/215751817.db2.gz WACMDZCHZHMWTE-UHFFFAOYSA-N 0 0 334.404 4.247 50 0 EIAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)c3ccco3)n2c1 ZINC000034913021 212998784 /nfs/dbraw/zinc/99/87/84/212998784.db2.gz KCCONAKTLHIVQW-UHFFFAOYSA-N 0 0 335.338 4.294 50 0 EIAARN CCn1nc(C(=O)N(C)C(C)C)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901469 212995133 /nfs/dbraw/zinc/99/51/33/212995133.db2.gz FXWIULQEINBZAO-UHFFFAOYSA-N 0 0 339.361 4.069 50 0 EIAARN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC(C)C)c1 ZINC000034796200 212989069 /nfs/dbraw/zinc/98/90/69/212989069.db2.gz JOQMWMAHZLWETD-UHFFFAOYSA-N 0 0 329.444 4.268 50 0 EIAARN CCc1cc(NC(=O)c2cccc(F)c2)nn1-c1ccc(Cl)cc1 ZINC000034907363 212997671 /nfs/dbraw/zinc/99/76/71/212997671.db2.gz XCDFDBPKJRKBDJ-UHFFFAOYSA-N 0 0 343.789 4.480 50 0 EIAARN COc1ccccc1/C=C\c1nn2c(nnc2-c2cccs2)s1 ZINC000033936611 212971301 /nfs/dbraw/zinc/97/13/01/212971301.db2.gz BWFCGQREKSEMJC-HJWRWDBZSA-N 0 0 340.433 4.093 50 0 EIAARN O=C(Nc1ccc(O[C@@H]2CCCCO2)c2ccccc12)C(F)(F)F ZINC000071767193 215821372 /nfs/dbraw/zinc/82/13/72/215821372.db2.gz MCSBOGGFTCLJDO-OAHLLOKOSA-N 0 0 339.313 4.246 50 0 EIAARN CCc1ccc(CNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)cc1 ZINC000071768891 215823356 /nfs/dbraw/zinc/82/33/56/215823356.db2.gz ZNHCZRTTWGKRCU-UHFFFAOYSA-N 0 0 339.826 4.223 50 0 EIAARN CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 ZINC000000427691 209592662 /nfs/dbraw/zinc/59/26/62/209592662.db2.gz BSUNLLCMKZGFRQ-SWLSCSKDSA-N 0 0 325.408 4.191 50 0 EIAARN Cc1sc(NC(=O)/C=C\c2ccco2)c(C(=O)OC(C)C)c1C ZINC000033455873 212940005 /nfs/dbraw/zinc/94/00/05/212940005.db2.gz NXIPUDKWAFEDDR-FPLPWBNLSA-N 0 0 333.409 4.175 50 0 EIAARN CCN(c1ccccc1)c1ncnc2c1cnn2-c1cccc(C)c1 ZINC000000426479 209589903 /nfs/dbraw/zinc/58/99/03/209589903.db2.gz HGZYUUZAOVNCDZ-UHFFFAOYSA-N 0 0 329.407 4.282 50 0 EIAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1C ZINC000000425775 209588201 /nfs/dbraw/zinc/58/82/01/209588201.db2.gz WZNFKUJGIDMNDO-UHFFFAOYSA-N 0 0 339.420 4.081 50 0 EIAARN Cc1ccnc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)c1 ZINC000033254370 212910606 /nfs/dbraw/zinc/91/06/06/212910606.db2.gz ZKABTHHTZYFLGD-UHFFFAOYSA-N 0 0 348.406 4.350 50 0 EIAARN CC[C@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccsc3)n2)c1 ZINC000033257488 212911701 /nfs/dbraw/zinc/91/17/01/212911701.db2.gz IQKXLABGUWZCGJ-NSHDSACASA-N 0 0 342.424 4.385 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)cc1C ZINC000033257779 212911829 /nfs/dbraw/zinc/91/18/29/212911829.db2.gz PHYGEVLGJDCACT-UHFFFAOYSA-N 0 0 335.407 4.159 50 0 EIAARN Cc1nc(-c2cccc(C(=O)Nc3cccc4c3CCCC4)c2)no1 ZINC000033257669 212911598 /nfs/dbraw/zinc/91/15/98/212911598.db2.gz IAEWIDBCSFSNLN-UHFFFAOYSA-N 0 0 333.391 4.176 50 0 EIAARN Cc1ccc(-c2nc(-c3cccc(C(=O)N4CCCC4)c3)no2)cc1C ZINC000033257820 212911599 /nfs/dbraw/zinc/91/15/99/212911599.db2.gz DMYWFHJJKOVMOV-UHFFFAOYSA-N 0 0 347.418 4.256 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)no1 ZINC000033145806 212903401 /nfs/dbraw/zinc/90/34/01/212903401.db2.gz PKGHNRWWQGCZBV-UHFFFAOYSA-N 0 0 328.755 4.256 50 0 EIAARN C=Cc1ccc(CSc2nccn(-c3ccc(F)cc3)c2=O)cc1 ZINC000033039909 212891925 /nfs/dbraw/zinc/89/19/25/212891925.db2.gz YOQUYCBYXNXQFH-UHFFFAOYSA-N 0 0 338.407 4.307 50 0 EIAARN COc1ccc2c(CC(=O)N3CCSc4ccccc43)coc2c1 ZINC000032997873 212886763 /nfs/dbraw/zinc/88/67/63/212886763.db2.gz FCZCFLODARQFLB-UHFFFAOYSA-N 0 0 339.416 4.123 50 0 EIAARN Cc1ccc(Nc2nc(N)c(C(=O)c3c[nH]c4ccccc34)s2)cc1 ZINC000032947559 212879746 /nfs/dbraw/zinc/87/97/46/212879746.db2.gz OUGNNYYNXMKQTA-UHFFFAOYSA-N 0 0 348.431 4.490 50 0 EIAARN CC(C)[C@@H](C(=O)Nc1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1 ZINC000032901849 212865032 /nfs/dbraw/zinc/86/50/32/212865032.db2.gz GJRJQZVVXQTQOX-MRXNPFEDSA-N 0 0 345.830 4.209 50 0 EIAARN CC(C)c1cc(C(=O)Nc2ccc(NC(N)=O)cc2)c2ccccc2n1 ZINC000032901858 212864815 /nfs/dbraw/zinc/86/48/15/212864815.db2.gz QYENPJUNNNJHPZ-UHFFFAOYSA-N 0 0 348.406 4.101 50 0 EIAARN Cc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)ccc1N1CCCC1 ZINC000032903203 212864821 /nfs/dbraw/zinc/86/48/21/212864821.db2.gz GYZYCVPNXKXUBG-UHFFFAOYSA-N 0 0 349.356 4.261 50 0 EIAARN COc1ccccc1CNC(=O)c1[nH]c2ccc(C)cc2c1Cl ZINC000032913271 212869286 /nfs/dbraw/zinc/86/92/86/212869286.db2.gz SAJDSTXEDBILJB-UHFFFAOYSA-N 0 0 328.799 4.068 50 0 EIAARN O=c1c(C(F)(F)F)cccn1Cc1csc(-c2ccccc2)n1 ZINC000032905952 212866329 /nfs/dbraw/zinc/86/63/29/212866329.db2.gz CUQLHWIEOFMQDK-UHFFFAOYSA-N 0 0 336.338 4.039 50 0 EIAARN COc1cccc(Oc2ccc(N[C@H](C)c3nnc(C)o3)cc2)c1 ZINC000071902539 215944503 /nfs/dbraw/zinc/94/45/03/215944503.db2.gz CMNHOTKRDLRXAV-GFCCVEGCSA-N 0 0 325.368 4.352 50 0 EIAARN Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000032818801 212850223 /nfs/dbraw/zinc/85/02/23/212850223.db2.gz PUBHGGXWPLSYAS-FQEVSTJZSA-N 0 0 345.446 4.047 50 0 EIAARN Cc1cc(COC(=O)c2cc(-c3ccco3)nc3ccccc32)on1 ZINC000032823689 212850390 /nfs/dbraw/zinc/85/03/90/212850390.db2.gz JXDZHVUVFKGGFF-UHFFFAOYSA-N 0 0 334.331 4.148 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1F ZINC000032796682 212844484 /nfs/dbraw/zinc/84/44/84/212844484.db2.gz WUISILQIANLOAJ-UHFFFAOYSA-N 0 0 346.365 4.120 50 0 EIAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000032796553 212843875 /nfs/dbraw/zinc/84/38/75/212843875.db2.gz YEEJCMKJWJGDBI-QGZVFWFLSA-N 0 0 346.430 4.494 50 0 EIAARN Cc1c(NC(=O)C[C@@H](C)c2ccccc2F)cnn1-c1ccccc1 ZINC000129187153 223031097 /nfs/dbraw/zinc/03/10/97/223031097.db2.gz VGCQIJHMFLXPOL-CQSZACIVSA-N 0 0 337.398 4.452 50 0 EIAARN CC(=O)c1c(C)[nH]c(-c2csc(Cc3csc(C)n3)n2)c1C ZINC000032825885 212851739 /nfs/dbraw/zinc/85/17/39/212851739.db2.gz GCJARFTYYGNTHR-UHFFFAOYSA-N 0 0 331.466 4.313 50 0 EIAARN CCc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C(C)C)cc1 ZINC000032741321 212833613 /nfs/dbraw/zinc/83/36/13/212833613.db2.gz GIPKKXAZPGSURG-NRFANRHFSA-N 0 0 349.430 4.483 50 0 EIAARN CCO[C@H](C)c1nc(CC(=O)N(CC)[C@H]2CCCC[C@H]2C)cs1 ZINC000071910048 215953585 /nfs/dbraw/zinc/95/35/85/215953585.db2.gz HOYAPFPYCFSQDE-FMKPAKJESA-N 0 0 338.517 4.210 50 0 EIAARN O=C(Nc1cnn(Cc2cccc3ccccc32)c1)c1ccccc1F ZINC000032609612 212817433 /nfs/dbraw/zinc/81/74/33/212817433.db2.gz GNIVGBAHBYUPBH-UHFFFAOYSA-N 0 0 345.377 4.476 50 0 EIAARN Cc1cccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)NCC(C)C)c1 ZINC000035562334 213039213 /nfs/dbraw/zinc/03/92/13/213039213.db2.gz MWMXDYYDIWAKMH-UHFFFAOYSA-N 0 0 349.434 4.114 50 0 EIAARN O=C(N[C@@H](c1cccs1)C1CCCC1)c1cc(-c2ccco2)n[nH]1 ZINC000032397768 212798958 /nfs/dbraw/zinc/79/89/58/212798958.db2.gz SNYOEHDOVKIALN-QGZVFWFLSA-N 0 0 341.436 4.393 50 0 EIAARN CSCc1nnc(SCc2csc(-c3ccc(C)o3)n2)o1 ZINC000032330576 212798145 /nfs/dbraw/zinc/79/81/45/212798145.db2.gz VRCFVUZELMFCHA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/57/02/86/209570286.db2.gz HLTBLXGLNPWUII-UHFFFAOYSA-N 0 0 327.019 4.461 50 0 EIAARN COc1ccccc1NC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000000401731 209570366 /nfs/dbraw/zinc/57/03/66/209570366.db2.gz XDVAAWHAUIOBIB-UHFFFAOYSA-N 0 0 325.195 4.324 50 0 EIAARN Cc1nnc2sc([C@@H](C)c3ccc(-c4ccccc4)c(F)c3)nn12 ZINC000000385331 209564021 /nfs/dbraw/zinc/56/40/21/209564021.db2.gz VHOHYPMNCSWMEU-NSHDSACASA-N 0 0 338.411 4.452 50 0 EIAARN Nc1c(-c2ccccc2)cnn1-c1nc2ccc(Cl)cc2s1 ZINC000000387600 209566218 /nfs/dbraw/zinc/56/62/18/209566218.db2.gz YHUGGVUERWGOGC-UHFFFAOYSA-N 0 0 326.812 4.385 50 0 EIAARN CCn1cc(Cl)c(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000000374965 209557278 /nfs/dbraw/zinc/55/72/78/209557278.db2.gz OKMIEDFKOZIFKX-GFCCVEGCSA-N 0 0 333.863 4.345 50 0 EIAARN Cc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 ZINC000000367032 209555460 /nfs/dbraw/zinc/55/54/60/209555460.db2.gz QFOSKOLZSHUMSJ-UHFFFAOYSA-N 0 0 328.824 4.346 50 0 EIAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Br ZINC000000364659 209553791 /nfs/dbraw/zinc/55/37/91/209553791.db2.gz VQHOTITYBPYLLP-LBPRGKRZSA-N 0 0 334.213 4.164 50 0 EIAARN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000000343169 209542538 /nfs/dbraw/zinc/54/25/38/209542538.db2.gz NHNVDTFKTKGEEU-UHFFFAOYSA-N 0 0 347.867 4.105 50 0 EIAARN CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2 ZINC000000318043 209535043 /nfs/dbraw/zinc/53/50/43/209535043.db2.gz XWFPUACSRCJVRT-UHFFFAOYSA-N 0 0 349.477 4.046 50 0 EIAARN Fc1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1 ZINC000000315189 209531848 /nfs/dbraw/zinc/53/18/48/209531848.db2.gz WBORCKNPOCEOOU-UHFFFAOYSA-N 0 0 339.233 4.075 50 0 EIAARN COc1ccc(-n2cnc3scc(-c4ccccc4)c3c2=O)cc1 ZINC000000313677 209531729 /nfs/dbraw/zinc/53/17/29/209531729.db2.gz LYYSGMYNSDWZJR-UHFFFAOYSA-N 0 0 334.400 4.123 50 0 EIAARN CC(C)CC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000000324604 209537787 /nfs/dbraw/zinc/53/77/87/209537787.db2.gz RTJYOESOTMJYKP-AWEZNQCLSA-N 0 0 347.846 4.142 50 0 EIAARN CCc1cccc(CC)c1NC(=O)Nc1cccc(NC(C)=O)c1 ZINC000072282502 216112535 /nfs/dbraw/zinc/11/25/35/216112535.db2.gz ILWZPJOYDVNDDX-UHFFFAOYSA-N 0 0 325.412 4.414 50 0 EIAARN CCOc1ncccc1CNC(=O)c1ccccc1-c1ccccc1 ZINC000030308341 212694827 /nfs/dbraw/zinc/69/48/27/212694827.db2.gz INYMCOXIIYEYTF-UHFFFAOYSA-N 0 0 332.403 4.077 50 0 EIAARN COc1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000000303012 209525786 /nfs/dbraw/zinc/52/57/86/209525786.db2.gz DMHFFGIVDLZASZ-UHFFFAOYSA-N 0 0 333.391 4.325 50 0 EIAARN C[C@H](NC(=O)c1cccnc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000030477930 212698507 /nfs/dbraw/zinc/69/85/07/212698507.db2.gz LXHMCTLXABBFPJ-VIFPVBQESA-N 0 0 328.721 4.245 50 0 EIAARN COc1ccccc1NC(=O)c1cc(Br)ccc1Cl ZINC000000272947 209513183 /nfs/dbraw/zinc/51/31/83/209513183.db2.gz WEJVRROOYASTLS-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN CC[C@](C)(NC(=O)Nc1c(F)cccc1F)c1nc(C)cs1 ZINC000072296069 216134253 /nfs/dbraw/zinc/13/42/53/216134253.db2.gz BRCFYGZZFTYCOL-HNNXBMFYSA-N 0 0 325.384 4.177 50 0 EIAARN COc1ccc(Cl)cc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000253773 209505947 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COc1cccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)n3ncnc3N2)c1 ZINC000072332442 216156398 /nfs/dbraw/zinc/15/63/98/216156398.db2.gz NLKVUNQWEWGQCC-OALUTQOASA-N 0 0 334.423 4.050 50 0 EIAARN O=C(Nc1cnc2ccccc2n1)c1csc(-c2cccs2)n1 ZINC000072310528 216146848 /nfs/dbraw/zinc/14/68/48/216146848.db2.gz YGCFJPYTVPONCX-UHFFFAOYSA-N 0 0 338.417 4.067 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000029319713 212661972 /nfs/dbraw/zinc/66/19/72/212661972.db2.gz MGQSKSUIORRIHT-JEYLPNPQSA-N 0 0 342.405 4.428 50 0 EIAARN CCOC(=O)c1cnc2c(OC)cccc2c1NC1CCCCC1 ZINC000000211185 209485588 /nfs/dbraw/zinc/48/55/88/209485588.db2.gz OKWLGXMGXNTZOC-UHFFFAOYSA-N 0 0 328.412 4.165 50 0 EIAARN COc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 ZINC000000196442 209478463 /nfs/dbraw/zinc/47/84/63/209478463.db2.gz BBNNTMCIJDDFPH-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1c[nH]nc1-c1cccs1 ZINC000028795553 212636867 /nfs/dbraw/zinc/63/68/67/212636867.db2.gz OEEHZDLCXVGWMX-KRWDZBQOSA-N 0 0 338.436 4.115 50 0 EIAARN COc1ccccc1Nc1ncc(F)c(Nc2ccccc2OC)n1 ZINC000000184195 209470197 /nfs/dbraw/zinc/47/01/97/209470197.db2.gz JLNHPQLRAKTOOH-UHFFFAOYSA-N 0 0 340.358 4.120 50 0 EIAARN O=C1NCCCN1c1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129572836 223070539 /nfs/dbraw/zinc/07/05/39/223070539.db2.gz XZNTZBIJSPDRLO-OLZOCXBDSA-N 0 0 341.377 4.139 50 0 EIAARN Cc1ccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C ZINC000000157976 209458395 /nfs/dbraw/zinc/45/83/95/209458395.db2.gz GLDAGGFMHZXZMJ-UHFFFAOYSA-N 0 0 349.434 4.234 50 0 EIAARN O=S(=O)(c1ccccc1)[C@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000000143953 209447653 /nfs/dbraw/zinc/44/76/53/209447653.db2.gz YOJIWIMJJYIWJI-IBGZPJMESA-N 0 0 340.375 4.495 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc2[nH]ccc21 ZINC000072403590 216195003 /nfs/dbraw/zinc/19/50/03/216195003.db2.gz JAMJHQFMTYGEAL-UHFFFAOYSA-N 0 0 344.418 4.152 50 0 EIAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1)CCCCC2 ZINC000000130328 209439137 /nfs/dbraw/zinc/43/91/37/209439137.db2.gz HSPLHVOLFSLZIZ-UHFFFAOYSA-N 0 0 343.448 4.364 50 0 EIAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000000130161 209438869 /nfs/dbraw/zinc/43/88/69/209438869.db2.gz FLZWUSZMYLZIRT-UHFFFAOYSA-N 0 0 346.386 4.200 50 0 EIAARN O=C(Nc1ccc(-c2csnn2)cc1)c1c(F)cccc1Cl ZINC000000106348 209424050 /nfs/dbraw/zinc/42/40/50/209424050.db2.gz BTKUOMZHNYGDCA-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN C[C@H]1C(=O)c2c(nn(-c3ccccc3)c2-c2ccc(O)cc2)C[C@@H]1C ZINC000000106075 209423726 /nfs/dbraw/zinc/42/37/26/209423726.db2.gz YXCWRLCZWVCEDO-UONOGXRCSA-N 0 0 332.403 4.256 50 0 EIAARN Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000104184 209423260 /nfs/dbraw/zinc/42/32/60/209423260.db2.gz CSEZLBZKPUGTMO-UHFFFAOYSA-N 0 0 338.432 4.444 50 0 EIAARN CCCc1ccc(OCc2ccc(C(=O)NCC(C)C)o2)c(OC)c1 ZINC000000115644 209430691 /nfs/dbraw/zinc/43/06/91/209430691.db2.gz PVPDRKBKTXCOIG-UHFFFAOYSA-N 0 0 345.439 4.206 50 0 EIAARN COc1ccc2c(c1)CCc1sc(NC(=O)c3cccs3)nc1-2 ZINC000000083047 209408504 /nfs/dbraw/zinc/40/85/04/209408504.db2.gz RTBDYYPOVGHLNW-UHFFFAOYSA-N 0 0 342.445 4.231 50 0 EIAARN COC(=O)c1scc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000082655 209408270 /nfs/dbraw/zinc/40/82/70/209408270.db2.gz VWMCVOUQCXOBFE-UHFFFAOYSA-N 0 0 343.326 4.114 50 0 EIAARN O=C(Nc1ccccc1C(F)(F)F)c1cc2ccccc2oc1=O ZINC000000067956 209398887 /nfs/dbraw/zinc/39/88/87/209398887.db2.gz FYSWVOJNVQWYKT-UHFFFAOYSA-N 0 0 333.265 4.064 50 0 EIAARN CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000000064045 209397344 /nfs/dbraw/zinc/39/73/44/209397344.db2.gz MIZFAUDZAALNSZ-FMIVXFBMSA-N 0 0 329.783 4.169 50 0 EIAARN CCSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000000060424 209394677 /nfs/dbraw/zinc/39/46/77/209394677.db2.gz XXKDNASNXOXYRQ-UHFFFAOYSA-N 0 0 340.492 4.317 50 0 biogenic EIAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1 ZINC000000056587 209393687 /nfs/dbraw/zinc/39/36/87/209393687.db2.gz AGGRGODMKWLSDE-UHFFFAOYSA-N 0 0 334.485 4.490 50 0 EIAARN Cc1cccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)c1 ZINC000000055197 209392660 /nfs/dbraw/zinc/39/26/60/209392660.db2.gz ULPCMKRJROOHGA-UHFFFAOYSA-N 0 0 343.386 4.257 50 0 EIAARN Cc1cc(C)n(-c2nc(-c3ccc(Br)cc3)cs2)n1 ZINC000000052805 209392199 /nfs/dbraw/zinc/39/21/99/209392199.db2.gz KNKGKGLYQPJURD-UHFFFAOYSA-N 0 0 334.242 4.375 50 0 EIAARN COc1cccc2cc(-c3nc4cc5ccccc5cc4[nH]3)c(=O)oc21 ZINC000000053662 209391443 /nfs/dbraw/zinc/39/14/43/209391443.db2.gz SQMOMMYKEQOKNA-UHFFFAOYSA-N 0 0 342.354 4.498 50 0 EIAARN Cc1cc(C)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(C)c1 ZINC000000048289 209389707 /nfs/dbraw/zinc/38/97/07/209389707.db2.gz GBIFKEIDKCEVPF-UHFFFAOYSA-N 0 0 325.408 4.429 50 0 EIAARN Cc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)[nH]n2)c(C)c1 ZINC000072427501 216218770 /nfs/dbraw/zinc/21/87/70/216218770.db2.gz RHCCKCZFQLDEKU-UHFFFAOYSA-N 0 0 335.407 4.268 50 0 EIAARN CC(C)(C)c1nc(CSc2nccn2-c2cccc(Cl)c2)no1 ZINC000028013563 212594707 /nfs/dbraw/zinc/59/47/07/212594707.db2.gz YOSBRCNVDATHPU-UHFFFAOYSA-N 0 0 348.859 4.499 50 0 EIAARN CSc1cccc(CNc2cc(-c3ccncc3)nc3ccnn32)c1 ZINC000072434930 216229733 /nfs/dbraw/zinc/22/97/33/216229733.db2.gz DXRZKKJMQBCQLG-UHFFFAOYSA-N 0 0 347.447 4.125 50 0 EIAARN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c(C)o1 ZINC000072440304 216233758 /nfs/dbraw/zinc/23/37/58/216233758.db2.gz IVDTULPRUKYIJZ-QGZVFWFLSA-N 0 0 341.386 4.279 50 0 EIAARN Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)nn1 ZINC000072437979 216232262 /nfs/dbraw/zinc/23/22/62/216232262.db2.gz FPCNOGQKCUIGAT-UHFFFAOYSA-N 0 0 339.782 4.483 50 0 EIAARN Cc1cc(C)n(CCC(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000027969152 212589141 /nfs/dbraw/zinc/58/91/41/212589141.db2.gz DNBGPWPCDCEBTK-UHFFFAOYSA-N 0 0 333.435 4.120 50 0 EIAARN CCc1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)[nH]n1 ZINC000072457314 216242720 /nfs/dbraw/zinc/24/27/20/216242720.db2.gz JPYHNJPGALDVCP-UHFFFAOYSA-N 0 0 335.407 4.037 50 0 EIAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@H]1CCc2ccccc21 ZINC000072463610 216246611 /nfs/dbraw/zinc/24/66/11/216246611.db2.gz XSCPCJSUYOOSSQ-IBGZPJMESA-N 0 0 332.403 4.030 50 0 EIAARN CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc2c(c1)CCO2 ZINC000130007476 223112667 /nfs/dbraw/zinc/11/26/67/223112667.db2.gz GDVLTJYQLIKHAY-UHFFFAOYSA-N 0 0 337.350 4.297 50 0 EIAARN CC(=O)c1cccc(CN2CCC[C@@H](C(=O)CCc3ccccc3)C2)c1 ZINC000072476318 216254252 /nfs/dbraw/zinc/25/42/52/216254252.db2.gz PNFRPEJRXHCETG-JOCHJYFZSA-N 0 0 349.474 4.303 50 0 EIAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc2c(c1)CCO2 ZINC000027128675 212547316 /nfs/dbraw/zinc/54/73/16/212547316.db2.gz PJWMHBXAQDDMNV-FPYGCLRLSA-N 0 0 344.208 4.036 50 0 EIAARN C[C@@H](NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccn1 ZINC000026184215 212510422 /nfs/dbraw/zinc/51/04/22/212510422.db2.gz VUBBMOLOCAQSIO-IAQYHMDHSA-N 0 0 347.871 4.332 50 0 EIAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccccc1 ZINC000025847622 212499836 /nfs/dbraw/zinc/49/98/36/212499836.db2.gz PECSUVHARDUVIB-UHFFFAOYSA-N 0 0 346.434 4.232 50 0 EIAARN O=C(Cc1csc(-c2ccco2)n1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000025530100 212486587 /nfs/dbraw/zinc/48/65/87/212486587.db2.gz WLTGVPPFUWPJRC-DZGCQCFKSA-N 0 0 330.453 4.127 50 0 EIAARN Cc1cc(C)cc(C2=CCN(C(=O)N[C@@H]3CCOC(C)(C)C3)CC2)c1 ZINC000131980554 223289514 /nfs/dbraw/zinc/28/95/14/223289514.db2.gz SBRVEWGQNUSKAD-LJQANCHMSA-N 0 0 342.483 4.060 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000025426445 212481265 /nfs/dbraw/zinc/48/12/65/212481265.db2.gz OAGAQNLWBQPAJO-OAHLLOKOSA-N 0 0 339.439 4.029 50 0 EIAARN Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1SC1CCCC1 ZINC000025267140 212469800 /nfs/dbraw/zinc/46/98/00/212469800.db2.gz IZXLXIVPVHEAMW-UHFFFAOYSA-N 0 0 343.496 4.253 50 0 EIAARN CCCc1noc(CSc2nc(C)nc3sc4c(c32)CCC4)n1 ZINC000024990468 212452485 /nfs/dbraw/zinc/45/24/85/212452485.db2.gz YMXGXQAKYCXLLC-UHFFFAOYSA-N 0 0 346.481 4.116 50 0 EIAARN Cc1noc(COC(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1 ZINC000024161422 212410840 /nfs/dbraw/zinc/41/08/40/212410840.db2.gz TXXKQALDTDQUBM-UHFFFAOYSA-N 0 0 334.784 4.117 50 0 EIAARN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(c2ccncc2)CC1 ZINC000192281322 239625152 /nfs/dbraw/zinc/62/51/52/239625152.db2.gz LGPPYRDCOHURDY-UHFFFAOYSA-N 0 0 348.368 4.049 50 0 EIAARN Cc1cnccc1Cn1ccc(-c2cccc(-c3nccnc3C)c2)n1 ZINC000023542469 212381529 /nfs/dbraw/zinc/38/15/29/212381529.db2.gz NPPQSEPLUFDXIT-UHFFFAOYSA-N 0 0 341.418 4.067 50 0 EIAARN COc1ccc2nc(C(=O)Nc3cnc4ccccc4c3)ccc2c1 ZINC000023353604 212371194 /nfs/dbraw/zinc/37/11/94/212371194.db2.gz GQYAZJJMSULOQR-UHFFFAOYSA-N 0 0 329.359 4.044 50 0 EIAARN O=C(c1cc2ccccc2o1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023383833 212374021 /nfs/dbraw/zinc/37/40/21/212374021.db2.gz HAQAAFKRVMWQOD-FQEVSTJZSA-N 0 0 335.403 4.019 50 0 EIAARN O=C(c1ccc(F)cc1Cl)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023384488 212373784 /nfs/dbraw/zinc/37/37/84/212373784.db2.gz GMCXIRCEIITKPN-SFHVURJKSA-N 0 0 347.817 4.065 50 0 EIAARN CC[C@H](Nc1cc(-c2ccccc2)nc2ncnn21)c1ccccc1 ZINC000023326490 212369220 /nfs/dbraw/zinc/36/92/20/212369220.db2.gz JTGYMTJNROKFLL-KRWDZBQOSA-N 0 0 329.407 4.355 50 0 EIAARN C[C@H](N[C@H](c1nccs1)C1CC1)c1ccc(Br)o1 ZINC000192903564 239933832 /nfs/dbraw/zinc/93/38/32/239933832.db2.gz LFNIXJMWPSWJLE-UFBFGSQYSA-N 0 0 327.247 4.301 50 0 EIAARN O=C(Nc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000023115713 212349532 /nfs/dbraw/zinc/34/95/32/212349532.db2.gz KTPRHHIZLDSJIG-KRWDZBQOSA-N 0 0 348.446 4.083 50 0 EIAARN C[C@@H](Sc1ccccc1)C(=O)OCc1noc(-c2ccsc2)n1 ZINC000023005595 212341769 /nfs/dbraw/zinc/34/17/69/212341769.db2.gz IMLMZKBMKIGEGZ-LLVKDONJSA-N 0 0 346.433 4.022 50 0 EIAARN COc1c(Cl)cc(C(=O)Nc2nnc(C(C)C)s2)cc1Cl ZINC000022975449 212339712 /nfs/dbraw/zinc/33/97/12/212339712.db2.gz UBPLRTYNDOOKRV-UHFFFAOYSA-N 0 0 346.239 4.229 50 0 EIAARN O=C(Nc1ccccc1NCc1nccn1C(F)F)c1ccccc1 ZINC000075093245 216551893 /nfs/dbraw/zinc/55/18/93/216551893.db2.gz CWYILACBEADOQY-UHFFFAOYSA-N 0 0 342.349 4.143 50 0 EIAARN Cc1sc(NC(=O)[C@@H]2CC23CCOCC3)nc1-c1ccc(F)cc1 ZINC000075093396 216552358 /nfs/dbraw/zinc/55/23/58/216552358.db2.gz DTAYXJLOGCXYNI-AWEZNQCLSA-N 0 0 346.427 4.013 50 0 EIAARN CSc1cc(C)ccc1CNC(=O)c1ccncc1C(F)(F)F ZINC000193106799 240022663 /nfs/dbraw/zinc/02/26/63/240022663.db2.gz MUEVUZPOXZQKGO-UHFFFAOYSA-N 0 0 340.370 4.061 50 0 EIAARN O=C(c1ccc2ncsc2c1)N(Cc1ccco1)c1ccccn1 ZINC000193147205 240040159 /nfs/dbraw/zinc/04/01/59/240040159.db2.gz ZHEISNOHGKPOJN-UHFFFAOYSA-N 0 0 335.388 4.131 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccncc3)ccc2c1 ZINC000022881396 212331510 /nfs/dbraw/zinc/33/15/10/212331510.db2.gz KUYVWYJVUJPJDN-GJZGRUSLSA-N 0 0 334.419 4.224 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000022603470 212309844 /nfs/dbraw/zinc/30/98/44/212309844.db2.gz FUKXMHMSDHJOEU-HUUCEWRRSA-N 0 0 346.789 4.180 50 0 EIAARN COc1cccc([C@@H](C)NC(=O)c2cc(-c3cccc(C)c3)on2)c1 ZINC000022649077 212314986 /nfs/dbraw/zinc/31/49/86/212314986.db2.gz NNOCOUSLGXRJND-CQSZACIVSA-N 0 0 336.391 4.150 50 0 EIAARN CCOC(=O)c1c(NC(=O)[C@H](C)CC)sc2c1Cc1ccccc1-2 ZINC000022640344 212314002 /nfs/dbraw/zinc/31/40/02/212314002.db2.gz ISKBEGLFNQUPTE-LLVKDONJSA-N 0 0 343.448 4.481 50 0 EIAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)C1CC1 ZINC000022626790 212313594 /nfs/dbraw/zinc/31/35/94/212313594.db2.gz SXRFXWLYMOCMCE-GFCCVEGCSA-N 0 0 343.448 4.425 50 0 EIAARN CCC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000022623684 212312283 /nfs/dbraw/zinc/31/22/83/212312283.db2.gz PFVJIODFSGCADG-CRAIPNDOSA-N 0 0 346.515 4.043 50 0 EIAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1Cl ZINC000022558491 212306811 /nfs/dbraw/zinc/30/68/11/212306811.db2.gz CWHDXMIRWJETOM-UHFFFAOYSA-N 0 0 327.815 4.199 50 0 EIAARN COc1cc(C(C)=O)ccc1OCc1csc(-c2ccco2)n1 ZINC000022518130 212303083 /nfs/dbraw/zinc/30/30/83/212303083.db2.gz PJDABEOHQVGIPO-UHFFFAOYSA-N 0 0 329.377 4.193 50 0 EIAARN Cc1ccc(C)c(Sc2ncccc2C(=O)NCc2ccco2)c1 ZINC000022505072 212302174 /nfs/dbraw/zinc/30/21/74/212302174.db2.gz YTOGEPNXZLHQMJ-UHFFFAOYSA-N 0 0 338.432 4.373 50 0 EIAARN Cc1ccc(Sc2ncccc2C(=O)NCc2ccccn2)cc1C ZINC000022506355 212301712 /nfs/dbraw/zinc/30/17/12/212301712.db2.gz FGYBDRSUZNNNLG-UHFFFAOYSA-N 0 0 349.459 4.175 50 0 EIAARN COc1cc(Cl)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1OC ZINC000022435396 212296567 /nfs/dbraw/zinc/29/65/67/212296567.db2.gz UEHKFLNMAGPWFZ-OLZOCXBDSA-N 0 0 349.789 4.239 50 0 EIAARN O=C(Nc1c(Cl)cc(F)cc1Br)c1ccncc1F ZINC000193621207 240239205 /nfs/dbraw/zinc/23/92/05/240239205.db2.gz JKISDVNVPLGEKW-UHFFFAOYSA-N 0 0 347.546 4.028 50 0 EIAARN CSCCCNC(=O)c1c(C)noc1-c1ccc(C(C)(C)C)cc1 ZINC000022342312 212292224 /nfs/dbraw/zinc/29/22/24/212292224.db2.gz URCPGSMYWWBBNB-UHFFFAOYSA-N 0 0 346.496 4.430 50 0 EIAARN O=C(c1ccc(F)cc1F)N1CCC(CCc2ccccc2)CC1 ZINC000022328897 212291300 /nfs/dbraw/zinc/29/13/00/212291300.db2.gz QCPWOPBQEJLJFZ-UHFFFAOYSA-N 0 0 329.390 4.450 50 0 EIAARN Cc1cc(NC(=O)CCc2cscn2)ccc1Oc1ccncc1 ZINC000193700258 240271633 /nfs/dbraw/zinc/27/16/33/240271633.db2.gz HXZAMRGMKLRIIT-UHFFFAOYSA-N 0 0 339.420 4.210 50 0 EIAARN CCCc1nnc(SCc2c(C)nn(-c3ccccc3)c2Cl)[nH]1 ZINC000022319141 212290098 /nfs/dbraw/zinc/29/00/98/212290098.db2.gz CDRSYPUSWIMUSO-UHFFFAOYSA-N 0 0 347.875 4.197 50 0 EIAARN O=C(CSc1ccc(F)cc1)Nc1nc2c(s1)CCCCC2 ZINC000022312210 212289158 /nfs/dbraw/zinc/28/91/58/212289158.db2.gz LXUAUUBTNDLXDF-UHFFFAOYSA-N 0 0 336.457 4.282 50 0 EIAARN CC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000022157723 212279914 /nfs/dbraw/zinc/27/99/14/212279914.db2.gz KJOMXXNSIWKILN-AWEZNQCLSA-N 0 0 338.359 4.146 50 0 EIAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000022135015 212278849 /nfs/dbraw/zinc/27/88/49/212278849.db2.gz ZGDXIOHEZQWZCW-LJQANCHMSA-N 0 0 348.450 4.202 50 0 EIAARN O=C(c1ccc(F)c(F)c1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000211141739 241080813 /nfs/dbraw/zinc/08/08/13/241080813.db2.gz FJURAWRWCYQKJV-QGZVFWFLSA-N 0 0 333.403 4.285 50 0 EIAARN O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000215067589 241104465 /nfs/dbraw/zinc/10/44/65/241104465.db2.gz ZWASSPWNXPSMPY-HXUWFJFHSA-N 0 0 338.426 4.403 50 0 EIAARN Cc1ncsc1CCN(C)C(=O)[C@@H](c1ccccc1)C1CCCC1 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CCCCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000021874441 212256666 /nfs/dbraw/zinc/25/66/66/212256666.db2.gz BOYLEVBKAZMGOT-UHFFFAOYSA-N 0 0 345.443 4.124 50 0 EIAARN CC(C)c1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cc1 ZINC000021806965 212253891 /nfs/dbraw/zinc/25/38/91/212253891.db2.gz JDTBGJCWVBLQJU-UHFFFAOYSA-N 0 0 345.752 4.468 50 0 EIAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)C(C)C)n2)cc1 ZINC000021792772 212250492 /nfs/dbraw/zinc/25/04/92/212250492.db2.gz PGDSRLZKKUMZMB-UHFFFAOYSA-N 0 0 347.418 4.414 50 0 EIAARN Cc1nc(NC(=O)C(C)C)sc1-c1nc(-c2cccc(C)c2)no1 ZINC000021787775 212249932 /nfs/dbraw/zinc/24/99/32/212249932.db2.gz YISSBMWBUHJQLZ-UHFFFAOYSA-N 0 0 342.424 4.071 50 0 EIAARN Cc1cnc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)o1 ZINC000075717860 216654602 /nfs/dbraw/zinc/65/46/02/216654602.db2.gz NUJATBXAGXAJJW-AWEZNQCLSA-N 0 0 345.201 4.002 50 0 EIAARN C[C@H](Cc1nc(-c2cccc(F)c2)no1)C(=O)c1cccc(F)c1 ZINC000225437508 241862497 /nfs/dbraw/zinc/86/24/97/241862497.db2.gz FABRFJNTAMWMDA-LLVKDONJSA-N 0 0 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O=c1c2ccc[nH]c-2c(Nc2ccccc2F)n1Cc1cccs1 ZINC000020319502 212118862 /nfs/dbraw/zinc/11/88/62/212118862.db2.gz YCWOCVGIIARUDD-QGZVFWFLSA-N 0 0 339.395 4.049 50 0 EIAARN CCc1ccccc1NC(=O)NCc1cccc(Br)c1 ZINC000020213700 212112068 /nfs/dbraw/zinc/11/20/68/212112068.db2.gz MZOFEPGTJVLPKB-UHFFFAOYSA-N 0 0 333.229 4.333 50 0 EIAARN CCCn1c2ccccc2n(CCOc2ccc(Cl)cc2)c1=N ZINC000019996241 212093761 /nfs/dbraw/zinc/09/37/61/212093761.db2.gz VAOZPMIRGSLPLA-UHFFFAOYSA-N 0 0 329.831 4.065 50 0 EIAARN CCc1c(C(=O)Nc2ccc(C(C)C)cc2)cnn1-c1ccccn1 ZINC000019910854 212082499 /nfs/dbraw/zinc/08/24/99/212082499.db2.gz PXGRLZAMWZSUDA-UHFFFAOYSA-N 0 0 334.423 4.205 50 0 EIAARN Cc1cc(C(=O)N(C)Cc2cc(C3CC3)on2)c2ccc(C)c(C)c2n1 ZINC000077388509 216890428 /nfs/dbraw/zinc/89/04/28/216890428.db2.gz JHUUCZBGBYICHT-UHFFFAOYSA-N 0 0 349.434 4.298 50 0 EIAARN O=C1CS[C@H](c2ccccc2Cl)N1c1ccc(F)cc1F ZINC000019927158 212084850 /nfs/dbraw/zinc/08/48/50/212084850.db2.gz PKJALQVLLDWMSI-OAHLLOKOSA-N 0 0 325.767 4.397 50 0 EIAARN CC(=O)c1cc(CC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cs1 ZINC000077422533 216900758 /nfs/dbraw/zinc/90/07/58/216900758.db2.gz LPWGBNVGVOKBJI-KRWDZBQOSA-N 0 0 345.439 4.386 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21C=CC(=O)O1 ZINC000257355909 244584542 /nfs/dbraw/zinc/58/45/42/244584542.db2.gz DMEFWCRLNXTGFD-DNNXKHSDSA-N 0 0 342.479 4.162 50 0 EIAARN COc1ccc([C@H](NC(=O)[C@]2(C)CC2(Cl)Cl)C(C)C)cc1 ZINC000019310793 212014351 /nfs/dbraw/zinc/01/43/51/212014351.db2.gz SDDJWEPKPFNTFD-HIFRSBDPSA-N 0 0 330.255 4.092 50 0 EIAARN CCC[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1 ZINC000049580936 214020138 /nfs/dbraw/zinc/02/01/38/214020138.db2.gz YLVRXFAZJKATJO-MRXNPFEDSA-N 0 0 341.842 4.208 50 0 EIAARN CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nc(C)cs1 ZINC000049544009 214015565 /nfs/dbraw/zinc/01/55/65/214015565.db2.gz AHEHONSFKRLPLQ-UHFFFAOYSA-N 0 0 346.481 4.294 50 0 EIAARN O=C(N[C@@H](c1cccs1)c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000018211311 211990434 /nfs/dbraw/zinc/99/04/34/211990434.db2.gz ADMQKHKTMSNJQW-GOSISDBHSA-N 0 0 333.416 4.144 50 0 EIAARN Cc1cc(C[S@](=O)[C@H](c2ccccc2)c2ccccc2C)no1 ZINC000078394594 217046226 /nfs/dbraw/zinc/04/62/26/217046226.db2.gz VKSHHSSUMGCPBT-AUSIDOKSSA-N 0 0 325.433 4.330 50 0 EIAARN Cc1sc2ncnc(N3C[C@@H](C)O[C@@H](C)C3)c2c1-c1ccccc1 ZINC000018170079 211985752 /nfs/dbraw/zinc/98/57/52/211985752.db2.gz UNAJOSIFFBYPHL-BETUJISGSA-N 0 0 339.464 4.280 50 0 EIAARN Cc1c(NC(=O)NCc2ccncc2)cccc1OC1CCCC1 ZINC000078550528 217074009 /nfs/dbraw/zinc/07/40/09/217074009.db2.gz JBSKIGPJMBODRO-UHFFFAOYSA-N 0 0 325.412 4.033 50 0 EIAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccccn2)cc(C)c1OC(F)F ZINC000078562112 217076858 /nfs/dbraw/zinc/07/68/58/217076858.db2.gz SWCMMNAZVAEOTJ-CYBMUJFWSA-N 0 0 334.366 4.133 50 0 EIAARN CC(C)(C)C1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000078646893 217094730 /nfs/dbraw/zinc/09/47/30/217094730.db2.gz JOHHTKYFFTVMDJ-HVERKPMGSA-N 0 0 347.474 4.013 50 0 EIAARN CCc1ccsc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000078752098 217113431 /nfs/dbraw/zinc/11/34/31/217113431.db2.gz HBAXUXHHGQTZFD-UHFFFAOYSA-N 0 0 348.431 4.297 50 0 EIAARN CCn1nc(C)c(NC(=O)Nc2ccc(F)cc2OCC2CC2)c1C ZINC000078937840 217152619 /nfs/dbraw/zinc/15/26/19/217152619.db2.gz BZHZAYPPCHWKQJ-UHFFFAOYSA-N 0 0 346.406 4.092 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(C)(C)C)on1 ZINC000016579971 211914293 /nfs/dbraw/zinc/91/42/93/211914293.db2.gz TVDLOIOIVTUOJJ-UHFFFAOYSA-N 0 0 325.368 4.188 50 0 EIAARN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccs1 ZINC000016475063 211906333 /nfs/dbraw/zinc/90/63/33/211906333.db2.gz HKMBQEFYPXDQCA-UHFFFAOYSA-N 0 0 328.437 4.017 50 0 EIAARN O=C(Nc1n[nH]cc1-c1ccccc1Br)c1ccsc1 ZINC000079002028 217172464 /nfs/dbraw/zinc/17/24/64/217172464.db2.gz PCGFYZZZSLKBMH-UHFFFAOYSA-N 0 0 348.225 4.153 50 0 EIAARN C[C@H](C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1)n1ccnc1 ZINC000079073571 217187633 /nfs/dbraw/zinc/18/76/33/217187633.db2.gz RDDBNXWRGRKCHJ-QRWLVFNGSA-N 0 0 345.402 4.096 50 0 EIAARN COC[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000079101196 217193555 /nfs/dbraw/zinc/19/35/55/217193555.db2.gz NSHFJLMUQVJGHC-SFHVURJKSA-N 0 0 338.451 4.168 50 0 EIAARN COc1cc(OC)c(NC(=S)Nc2ccc(F)cc2)cc1Cl ZINC000016281548 211893504 /nfs/dbraw/zinc/89/35/04/211893504.db2.gz LNMALBFIUSAZHV-UHFFFAOYSA-N 0 0 340.807 4.305 50 0 EIAARN COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H](CC(C)C)C3)c2c1 ZINC000079104728 217193859 /nfs/dbraw/zinc/19/38/59/217193859.db2.gz SEDGBMKIQFSBMW-HNNXBMFYSA-N 0 0 328.456 4.004 50 0 EIAARN CC[C@@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccc(Br)cc1 ZINC000016226121 211890759 /nfs/dbraw/zinc/89/07/59/211890759.db2.gz DCGQUHABKZDLEP-TXEJJXNPSA-N 0 0 348.306 4.037 50 0 EIAARN Cc1cc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)nn1C ZINC000079360291 217214815 /nfs/dbraw/zinc/21/48/15/217214815.db2.gz MOOOPBTVCIMPJD-HNNXBMFYSA-N 0 0 335.407 4.121 50 0 EIAARN Cc1onc(-c2ccccc2)c1C(=O)NC(=N)c1ccc(Cl)cc1 ZINC000015924048 211868705 /nfs/dbraw/zinc/86/87/05/211868705.db2.gz GLKDLJVTODGWIE-UHFFFAOYSA-N 0 0 339.782 4.059 50 0 EIAARN Cc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1 ZINC000015825290 211856530 /nfs/dbraw/zinc/85/65/30/211856530.db2.gz UMHZIQQKILBBOF-UHFFFAOYSA-N 0 0 329.469 4.428 50 0 EIAARN COc1ccc(C)cc1Nc1c2[nH]cccc-2c(=O)n1-c1ccccc1 ZINC000015822113 211856313 /nfs/dbraw/zinc/85/63/13/211856313.db2.gz YWXCWKSZIMNEHK-FQEVSTJZSA-N 0 0 345.402 4.170 50 0 EIAARN Cc1c(C[NH2+]C2CCCC2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776827 211851183 /nfs/dbraw/zinc/85/11/83/211851183.db2.gz NSQNNPUTPLCUFW-UHFFFAOYSA-N 0 0 344.430 4.023 50 0 EIAARN Cc1ccccc1[C@H](NC(=O)CCc1nnc(C(C)C)o1)C(C)(C)C ZINC000079635573 217245086 /nfs/dbraw/zinc/24/50/86/217245086.db2.gz GEVVROVJBNZQTD-SFHVURJKSA-N 0 0 343.471 4.338 50 0 EIAARN COc1cccc(-c2ocnc2C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000015782215 211852501 /nfs/dbraw/zinc/85/25/01/211852501.db2.gz KZUVDOGNTWSASI-GOSISDBHSA-N 0 0 348.402 4.158 50 0 EIAARN COc1cc(CCC(=O)Nc2ccc(Cl)cc2F)cc(OC)c1 ZINC000015581070 211832909 /nfs/dbraw/zinc/83/29/09/211832909.db2.gz AZECKCYXUIZHBZ-UHFFFAOYSA-N 0 0 337.778 4.068 50 0 EIAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc2ccccc2c1 ZINC000015609596 211835487 /nfs/dbraw/zinc/83/54/87/211835487.db2.gz CGZPNXACJZJWCS-UHFFFAOYSA-N 0 0 344.414 4.328 50 0 EIAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(NCc2ccccc2)cc1 ZINC000015412149 211822378 /nfs/dbraw/zinc/82/23/78/211822378.db2.gz FJOLBWUNJAPEIO-UHFFFAOYSA-N 0 0 342.402 4.427 50 0 EIAARN CCOCCCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000080345618 217298695 /nfs/dbraw/zinc/29/86/95/217298695.db2.gz LTWNIXQTBMXBEM-UHFFFAOYSA-N 0 0 348.855 4.205 50 0 EIAARN CC[S@](=O)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C ZINC000080344499 217299170 /nfs/dbraw/zinc/29/91/70/217299170.db2.gz RABYKMIQWSNWFQ-XMMPIXPASA-N 0 0 345.395 4.260 50 0 EIAARN CCOc1ccccc1-n1nnnc1SCc1cccc(Cl)c1 ZINC000015229051 211809728 /nfs/dbraw/zinc/80/97/28/211809728.db2.gz TXGSDDSMXQBVII-UHFFFAOYSA-N 0 0 346.843 4.007 50 0 EIAARN C[C@@H]1CCc2c(sc3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 ZINC000015085207 211801683 /nfs/dbraw/zinc/80/16/83/211801683.db2.gz UJBJCNMGWPCYBR-MFKMUULPSA-N 0 0 341.432 4.076 50 0 EIAARN O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccon1 ZINC000015062701 211793708 /nfs/dbraw/zinc/79/37/08/211793708.db2.gz KKYLFIWTKCZYAO-GOSISDBHSA-N 0 0 340.810 4.166 50 0 EIAARN CCN1c2ccc(Br)cc2[C@@H](Cc2ccc(C)cc2)C1=O ZINC000015018137 211789282 /nfs/dbraw/zinc/78/92/82/211789282.db2.gz QOHZQWVHXRPVSI-MRXNPFEDSA-N 0 0 344.252 4.450 50 0 EIAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c12 ZINC000014898361 211770084 /nfs/dbraw/zinc/77/00/84/211770084.db2.gz CATHWLPWCGOTOT-UHFFFAOYSA-N 0 0 349.221 4.144 50 0 EIAARN CSc1nc2ccc(NC(=O)/C=C/c3csc(C)n3)cc2s1 ZINC000014328573 211732027 /nfs/dbraw/zinc/73/20/27/211732027.db2.gz JFJYUGQDBYRLDB-GQCTYLIASA-N 0 0 347.490 4.435 50 0 EIAARN CCCN(Cc1cccc(Cl)c1)C(=O)c1cc(C(C)C)nn1C ZINC000082126633 217473936 /nfs/dbraw/zinc/47/39/36/217473936.db2.gz GJVGCFLXLZWLFU-UHFFFAOYSA-N 0 0 333.863 4.249 50 0 EIAARN Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000146412332 223721887 /nfs/dbraw/zinc/72/18/87/223721887.db2.gz KRZQOYODMFAQMZ-UHFFFAOYSA-N 0 0 346.308 4.108 50 0 EIAARN CC(C)[C@@H](C)NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000014167478 211698067 /nfs/dbraw/zinc/69/80/67/211698067.db2.gz MQWPEDCHWUCPHQ-CQSZACIVSA-N 0 0 335.407 4.178 50 0 EIAARN Cc1cc(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)no1 ZINC000014094323 211681526 /nfs/dbraw/zinc/68/15/26/211681526.db2.gz FJXFONVCISAVKC-UHFFFAOYSA-N 0 0 338.392 4.149 50 0 EIAARN CC(C)NC(=O)N(C)c1ccc(OCc2ncc(C(C)(C)C)o2)cc1 ZINC000084620530 217622054 /nfs/dbraw/zinc/62/20/54/217622054.db2.gz HOOPEYSAKHBDNQ-UHFFFAOYSA-N 0 0 345.443 4.105 50 0 EIAARN COc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1 ZINC000013745360 211630669 /nfs/dbraw/zinc/63/06/69/211630669.db2.gz MMYRLYQPHRURQE-NSHDSACASA-N 0 0 349.228 4.340 50 0 EIAARN Oc1ccccc1Oc1c(F)c(N2CCCC2)nc(F)c1Cl ZINC000013734963 211624751 /nfs/dbraw/zinc/62/47/51/211624751.db2.gz GPGKIVGFLWIYOP-UHFFFAOYSA-N 0 0 326.730 4.111 50 0 EIAARN CC(=O)Nc1nc2ccc(C(=O)N[C@@H](C)CCCC(C)C)cc2s1 ZINC000013726675 211622520 /nfs/dbraw/zinc/62/25/20/211622520.db2.gz RFLOXTCEPGBVNY-LBPRGKRZSA-N 0 0 347.484 4.199 50 0 EIAARN Cc1cc(C(=O)N2CCC(C)CC2)c2c(n1)onc2-c1ccccc1 ZINC000013641737 211596871 /nfs/dbraw/zinc/59/68/71/211596871.db2.gz KTIIPROOJDGZCK-UHFFFAOYSA-N 0 0 335.407 4.070 50 0 EIAARN C[C@H](C(=O)NCc1ccco1)n1nc(-c2ccccc2)c2ccccc21 ZINC000013369658 211551785 /nfs/dbraw/zinc/55/17/85/211551785.db2.gz YDXFZCWOBCFBBU-OAHLLOKOSA-N 0 0 345.402 4.174 50 0 EIAARN Cc1ccccc1Cn1ccc(NC(=S)Nc2ccccc2C)n1 ZINC000013331062 211547587 /nfs/dbraw/zinc/54/75/87/211547587.db2.gz WHHZIFCQUFKAQR-UHFFFAOYSA-N 0 0 336.464 4.357 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)N(CC(C)C)CC(C)C)nc2c1 ZINC000013240904 211537537 /nfs/dbraw/zinc/53/75/37/211537537.db2.gz XBLCCBFBYKCNDF-UHFFFAOYSA-N 0 0 333.501 4.104 50 0 EIAARN CC(=O)c1ccc(N(C)C)cc1OCc1coc(-c2ccccc2)n1 ZINC000089331229 217786885 /nfs/dbraw/zinc/78/68/85/217786885.db2.gz AALRKPHASNWCRV-UHFFFAOYSA-N 0 0 336.391 4.189 50 0 EIAARN CCn1c2ccccc2cc/c1=N\N=c1/ccc2ccccc2n1CC ZINC000013161638 211531834 /nfs/dbraw/zinc/53/18/34/211531834.db2.gz MNEKZEMIACTINB-MBALSZOMSA-N 0 0 342.446 4.052 50 0 EIAARN C[C@@H]1CN([C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)C[C@H](C)O1 ZINC000013071074 211517493 /nfs/dbraw/zinc/51/74/93/211517493.db2.gz MDZVDOLYUVELRM-VWKPWSFCSA-N 0 0 348.446 4.201 50 0 EIAARN CC(C)c1ccc(N2C[C@H](c3nc(-c4ccccc4)no3)CC2=O)cc1 ZINC000013036978 211514833 /nfs/dbraw/zinc/51/48/33/211514833.db2.gz FIHSEIUBUSXSCL-QGZVFWFLSA-N 0 0 347.418 4.381 50 0 EIAARN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1nc2ccccc2s1 ZINC000089522693 217807870 /nfs/dbraw/zinc/80/78/70/217807870.db2.gz BSEJMCBQUAQCHG-CYBMUJFWSA-N 0 0 341.440 4.005 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3cc(C)ccc3C)o2)cs1 ZINC000012997812 211505376 /nfs/dbraw/zinc/50/53/76/211505376.db2.gz YKQZEJDWAQUVTD-UHFFFAOYSA-N 0 0 326.421 4.258 50 0 EIAARN C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000012917678 211483301 /nfs/dbraw/zinc/48/33/01/211483301.db2.gz PQDJRKFGDPFCTC-LLVKDONJSA-N 0 0 344.263 4.174 50 0 EIAARN Cc1nc2ccccc2nc1SCc1noc(-c2cccs2)n1 ZINC000012948252 211491755 /nfs/dbraw/zinc/49/17/55/211491755.db2.gz MWJQKGDVIMRFFE-UHFFFAOYSA-N 0 0 340.433 4.342 50 0 EIAARN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000089769584 217840652 /nfs/dbraw/zinc/84/06/52/217840652.db2.gz PKBGSCAHWWXHBT-HYVNUMGLSA-N 0 0 349.421 4.066 50 0 EIAARN CN(Cc1cccc(F)c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012888388 211476395 /nfs/dbraw/zinc/47/63/95/211476395.db2.gz CGBDYXWFHKJJKM-UHFFFAOYSA-N 0 0 336.410 4.458 50 0 EIAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000012862570 211472588 /nfs/dbraw/zinc/47/25/88/211472588.db2.gz DNIRSQSMLBPVDM-CYBMUJFWSA-N 0 0 335.190 4.058 50 0 EIAARN CCOc1cc(/C=C/C(=O)NC(CC)CC)cc(Cl)c1OC ZINC000012747742 211444383 /nfs/dbraw/zinc/44/43/83/211444383.db2.gz CHHPPUHYQDLYCS-CMDGGOBGSA-N 0 0 325.836 4.065 50 0 EIAARN Fc1ccc(-c2nnc(CSc3nc4ccccc4o3)o2)cc1 ZINC000012700041 211435893 /nfs/dbraw/zinc/43/58/93/211435893.db2.gz PKFGXRPIBYFFTH-UHFFFAOYSA-N 0 0 327.340 4.309 50 0 EIAARN O=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccccn1 ZINC000012622249 211425509 /nfs/dbraw/zinc/42/55/09/211425509.db2.gz GLFJDBLBLNWBHT-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN Cc1ccc(CSCCNC(=O)CCNc2ccc(C)cc2)cc1 ZINC000012771597 211451424 /nfs/dbraw/zinc/45/14/24/211451424.db2.gz BKZKURZFDUORKK-UHFFFAOYSA-N 0 0 342.508 4.155 50 0 EIAARN C[C@@H](NC(=O)NCc1ccccc1)c1ccccc1Br ZINC000012765211 211449506 /nfs/dbraw/zinc/44/95/06/211449506.db2.gz UDAANFJYWFAHJE-GFCCVEGCSA-N 0 0 333.229 4.010 50 0 EIAARN CSCC[C@H](NC(=O)CC1CCCC1)c1nc2ccccc2[nH]1 ZINC000012579732 211414216 /nfs/dbraw/zinc/41/42/16/211414216.db2.gz PMSWBEKKIGZCKS-INIZCTEOSA-N 0 0 331.485 4.054 50 0 EIAARN COc1ccc(Cl)cc1C(=O)NCCCn1ccc2ccccc21 ZINC000012554953 211409078 /nfs/dbraw/zinc/40/90/78/211409078.db2.gz OXJYHSWQUGXLOV-UHFFFAOYSA-N 0 0 342.826 4.123 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(F)cc1 ZINC000012619073 211424797 /nfs/dbraw/zinc/42/47/97/211424797.db2.gz OGVSSMCTSCNINA-UHFFFAOYSA-N 0 0 328.318 4.191 50 0 EIAARN CCCCN1c2ccc(NC(=O)c3cc(C)no3)c3cccc(c23)C1=O ZINC000012422538 211376872 /nfs/dbraw/zinc/37/68/72/211376872.db2.gz DVFPMNPAKBDZQT-UHFFFAOYSA-N 0 0 349.390 4.149 50 0 EIAARN O=C(/C=C/c1ccc(OCc2cccnc2)cc1)Nc1cccc(F)c1 ZINC000012527341 211399564 /nfs/dbraw/zinc/39/95/64/211399564.db2.gz KEOCCNWEDFGNOE-DHZHZOJOSA-N 0 0 348.377 4.452 50 0 EIAARN O=C(Nc1ccccc1N1CCCCCC1)[C@H]1Cc2ccccc2O1 ZINC000012527738 211399224 /nfs/dbraw/zinc/39/92/24/211399224.db2.gz CMCBDHSYERSKDG-HXUWFJFHSA-N 0 0 336.435 4.009 50 0 EIAARN CCc1ccc(N[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 ZINC000012515633 211396550 /nfs/dbraw/zinc/39/65/50/211396550.db2.gz OAPDAZHWXBHXCF-LJQANCHMSA-N 0 0 335.407 4.337 50 0 EIAARN O=C(Nc1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012506579 211395492 /nfs/dbraw/zinc/39/54/92/211395492.db2.gz UHMORVYSVHQVPN-UHFFFAOYSA-N 0 0 343.386 4.166 50 0 EIAARN CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000012476187 211391628 /nfs/dbraw/zinc/39/16/28/211391628.db2.gz PSAXUMUZJDWYMN-SFHVURJKSA-N 0 0 335.451 4.399 50 0 EIAARN COCc1cc(C)nc2sc(-c3ccon3)c(-n3cccc3)c21 ZINC000012445392 211385015 /nfs/dbraw/zinc/38/50/15/211385015.db2.gz BZNVCCOYKJRIPS-UHFFFAOYSA-N 0 0 325.393 4.197 50 0 EIAARN CCCC(=O)Nc1cc(C)nn1-c1nc(-c2ccccc2)cs1 ZINC000012441679 211383567 /nfs/dbraw/zinc/38/35/67/211383567.db2.gz DIWJJIJDXYUZNV-UHFFFAOYSA-N 0 0 326.425 4.043 50 0 EIAARN Cc1cccc(C)c1OCc1cc(C(=O)NCC2CCCCC2)no1 ZINC000012440059 211381620 /nfs/dbraw/zinc/38/16/20/211381620.db2.gz MRFMPRPHGDCFSU-UHFFFAOYSA-N 0 0 342.439 4.181 50 0 EIAARN Cc1cc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)on1 ZINC000012422295 211376475 /nfs/dbraw/zinc/37/64/75/211376475.db2.gz HECLWWCWMFRBKM-UHFFFAOYSA-N 0 0 349.415 4.440 50 0 EIAARN Cc1cc(C)n(-c2cc(Oc3cccc(C(F)(F)F)c3)nc(C)n2)n1 ZINC000012408953 211371738 /nfs/dbraw/zinc/37/17/38/211371738.db2.gz VSHBNDIPQKUANU-UHFFFAOYSA-N 0 0 348.328 4.399 50 0 EIAARN O=C(Nc1cccc2cccnc21)C1=C(c2ccccc2)SCCO1 ZINC000012409856 211371463 /nfs/dbraw/zinc/37/14/63/211371463.db2.gz ILEKRSFFGWNQBU-UHFFFAOYSA-N 0 0 348.427 4.306 50 0 EIAARN CC(C)(C)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 ZINC000012401154 211367590 /nfs/dbraw/zinc/36/75/90/211367590.db2.gz RHHXWBUDQZESHG-UHFFFAOYSA-N 0 0 333.501 4.381 50 0 EIAARN O=C(Nc1ccc(O)cc1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000012389988 211366444 /nfs/dbraw/zinc/36/64/44/211366444.db2.gz MEVKFXYRORUUEF-UHFFFAOYSA-N 0 0 335.388 4.045 50 0 EIAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ccccc2o1)CC3 ZINC000012296747 211334379 /nfs/dbraw/zinc/33/43/79/211334379.db2.gz SXTJZTGQCKJPNN-UHFFFAOYSA-N 0 0 346.386 4.121 50 0 biogenic EIAARN CCCOc1ccc(S(=O)(=O)N(CCC)CCC)c2ccccc12 ZINC000012291760 211333708 /nfs/dbraw/zinc/33/37/08/211333708.db2.gz AKBCAILMANRRCA-UHFFFAOYSA-N 0 0 349.496 4.439 50 0 EIAARN O=C1c2ccccc2C(=O)N1CSc1cccc(C(F)(F)F)c1 ZINC000012264102 211331520 /nfs/dbraw/zinc/33/15/20/211331520.db2.gz YWVNZVILIUOQEK-UHFFFAOYSA-N 0 0 337.322 4.051 50 0 EIAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc[nH]1 ZINC000012305765 211339561 /nfs/dbraw/zinc/33/95/61/211339561.db2.gz TVQPCUOFOFCYBD-JOCHJYFZSA-N 0 0 342.446 4.347 50 0 EIAARN Cn1c2c(cccc2Cl)s/c1=N/C(=O)c1ccccc1Cl ZINC000012180813 211310644 /nfs/dbraw/zinc/31/06/44/211310644.db2.gz VTUBODPTCDHJLI-OBGWFSINSA-N 0 0 337.231 4.288 50 0 EIAARN CCCCNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000012138245 211303079 /nfs/dbraw/zinc/30/30/79/211303079.db2.gz YVJOVVOHYYAFNE-UHFFFAOYSA-N 0 0 330.815 4.122 50 0 EIAARN O=C(NCC1(c2ccccc2)CCCC1)c1cc(=O)c2ccccc2o1 ZINC000012101280 211290978 /nfs/dbraw/zinc/29/09/78/211290978.db2.gz AIBTZJSIKBRGCF-UHFFFAOYSA-N 0 0 347.414 4.035 50 0 EIAARN Cc1cc(C)nc(Oc2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000012089907 211290134 /nfs/dbraw/zinc/29/01/34/211290134.db2.gz PZZPWXRQTXAUMM-UHFFFAOYSA-N 0 0 337.354 4.277 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1C ZINC000012054493 211284567 /nfs/dbraw/zinc/28/45/67/211284567.db2.gz SPNYIIIHYJLTJW-LJQANCHMSA-N 0 0 326.415 4.159 50 0 EIAARN Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)[nH]1 ZINC000011935009 211272333 /nfs/dbraw/zinc/27/23/33/211272333.db2.gz XQMQNONCTBKWPE-OAHLLOKOSA-N 0 0 344.842 4.020 50 0 EIAARN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000011938226 211272204 /nfs/dbraw/zinc/27/22/04/211272204.db2.gz OOSYXCRTMIFMGB-GOSISDBHSA-N 0 0 347.418 4.058 50 0 EIAARN Cc1cc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)cc(C)c1Cl ZINC000011915463 211268631 /nfs/dbraw/zinc/26/86/31/211268631.db2.gz MEDHOMCSABAKQW-SNVBAGLBSA-N 0 0 348.830 4.087 50 0 EIAARN CCOc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)c1 ZINC000011914496 211267530 /nfs/dbraw/zinc/26/75/30/211267530.db2.gz YJURYVZPZSFRKS-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN CCCCOc1ccccc1C(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000011915437 211267562 /nfs/dbraw/zinc/26/75/62/211267562.db2.gz VRNKCVUKILSALT-CYBMUJFWSA-N 0 0 328.412 4.231 50 0 EIAARN Cc1nc(-c2cccs2)c(CC(=O)NCc2cccc(C)c2)s1 ZINC000011905899 211266021 /nfs/dbraw/zinc/26/60/21/211266021.db2.gz CKPGPUYTFKNNLY-UHFFFAOYSA-N 0 0 342.489 4.347 50 0 EIAARN Cc1oc(-c2ccoc2)nc1CN(C)Cc1nc2ccccc2s1 ZINC000011878636 211263393 /nfs/dbraw/zinc/26/33/93/211263393.db2.gz NCFZIUPYNUBIOO-UHFFFAOYSA-N 0 0 339.420 4.485 50 0 EIAARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)CCc1ccccc1 ZINC000011852851 211259379 /nfs/dbraw/zinc/25/93/79/211259379.db2.gz ZTECCALCCXXORX-QURGRASLSA-N 0 0 346.455 4.453 50 0 EIAARN COc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3ccccn3)oc2c1 ZINC000091587141 218027200 /nfs/dbraw/zinc/02/72/00/218027200.db2.gz PFYAPKLYWUVDRW-QGZVFWFLSA-N 0 0 336.391 4.122 50 0 EIAARN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc2ccccc2[nH]1 ZINC000011831161 211253616 /nfs/dbraw/zinc/25/36/16/211253616.db2.gz JGWVOFBKMJLCKA-UHFFFAOYSA-N 0 0 336.322 4.319 50 0 EIAARN COc1ccc2c(C)c(C(=O)N3CC[C@H]3c3ccc(F)cc3)oc2c1 ZINC000091616482 218031618 /nfs/dbraw/zinc/03/16/18/218031618.db2.gz AHGYLINPKZDUEO-KRWDZBQOSA-N 0 0 339.366 4.476 50 0 EIAARN CSc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000011744029 211241063 /nfs/dbraw/zinc/24/10/63/211241063.db2.gz JIWGCKSIIZRFBS-UHFFFAOYSA-N 0 0 340.448 4.096 50 0 EIAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CCC2CCCCC2)cc1 ZINC000011713193 211240300 /nfs/dbraw/zinc/24/03/00/211240300.db2.gz VPPHSIGCRPVGQB-OAHLLOKOSA-N 0 0 345.439 4.120 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2ccc(F)cc2)on1 ZINC000011693138 211237509 /nfs/dbraw/zinc/23/75/09/211237509.db2.gz ZMVMGKWOBFGDGO-CYBMUJFWSA-N 0 0 336.366 4.001 50 0 EIAARN C=Cc1ccc(C(=O)N2CCC(c3nccn3CCCC)CC2)cc1 ZINC000091649746 218039507 /nfs/dbraw/zinc/03/95/07/218039507.db2.gz LTXXKIFIENBJIU-UHFFFAOYSA-N 0 0 337.467 4.346 50 0 EIAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1c(C)noc1C ZINC000091657345 218042497 /nfs/dbraw/zinc/04/24/97/218042497.db2.gz URKHWTZHLPBXBJ-ZDUSSCGKSA-N 0 0 333.457 4.157 50 0 EIAARN O=C(Nc1ccc(SCc2ccccc2Cl)nn1)c1ccco1 ZINC000011739340 211242254 /nfs/dbraw/zinc/24/22/54/211242254.db2.gz BINZVGMYGHFMAD-UHFFFAOYSA-N 0 0 345.811 4.268 50 0 EIAARN CC[C@H](C(=O)OCC(=O)Nc1cccc(SC)c1)c1ccccc1 ZINC000011582591 211223157 /nfs/dbraw/zinc/22/31/57/211223157.db2.gz CDRJYAHXOXRIOQ-KRWDZBQOSA-N 0 0 343.448 4.084 50 0 EIAARN CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 ZINC000011636968 211228091 /nfs/dbraw/zinc/22/80/91/211228091.db2.gz LFBLRYFRXIJFMT-GOSISDBHSA-N 0 0 327.424 4.362 50 0 EIAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000011613846 211227082 /nfs/dbraw/zinc/22/70/82/211227082.db2.gz ADPJWDSBSHQBEJ-UHFFFAOYSA-N 0 0 334.199 4.242 50 0 EIAARN Cc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 ZINC000011620668 211226752 /nfs/dbraw/zinc/22/67/52/211226752.db2.gz CCRPQQCOPLLZIG-UHFFFAOYSA-N 0 0 343.858 4.299 50 0 EIAARN O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccccc1F ZINC000011620744 211226211 /nfs/dbraw/zinc/22/62/11/211226211.db2.gz DIQPIPCSSIFQET-UHFFFAOYSA-N 0 0 347.821 4.130 50 0 EIAARN CCC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1 ZINC000011238854 211208681 /nfs/dbraw/zinc/20/86/81/211208681.db2.gz KOYKOYZCJSEASS-OAHLLOKOSA-N 0 0 342.464 4.368 50 0 EIAARN O=C(NCc1ccc(OC(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000011510363 211220201 /nfs/dbraw/zinc/22/02/01/211220201.db2.gz UTKCHHUVASRLMO-UHFFFAOYSA-N 0 0 345.267 4.237 50 0 EIAARN O=C(NCc1csc2c1CCCC2)c1ccc([C@H]2CCCO2)s1 ZINC000091894530 218085418 /nfs/dbraw/zinc/08/54/18/218085418.db2.gz XHLJEEPHBFJHIF-CQSZACIVSA-N 0 0 347.505 4.470 50 0 EIAARN COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc(OC)c1 ZINC000011342812 211213168 /nfs/dbraw/zinc/21/31/68/211213168.db2.gz YIPZDJXAMFKEAB-GFCCVEGCSA-N 0 0 349.814 4.072 50 0 EIAARN O=C(CSCc1nc2ccccc2s1)N1CCc2ccccc21 ZINC000011101567 211203669 /nfs/dbraw/zinc/20/36/69/211203669.db2.gz LUPKBDASZGZFHK-UHFFFAOYSA-N 0 0 340.473 4.119 50 0 EIAARN Cc1ccc(C)c(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1 ZINC000011052500 211202813 /nfs/dbraw/zinc/20/28/13/211202813.db2.gz NGRCKEFQYIICNQ-OAHLLOKOSA-N 0 0 337.419 4.319 50 0 EIAARN COc1ccc(CNC(=O)c2oc3c(ccc4ccccc34)c2C)cn1 ZINC000011002965 211199373 /nfs/dbraw/zinc/19/93/73/211199373.db2.gz BOXOSXUWLBWWGO-UHFFFAOYSA-N 0 0 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EIAARN CCCCn1ccnc1[C@H]1CCCN(c2nnc(C(C)C)s2)C1 ZINC000095360711 218294258 /nfs/dbraw/zinc/29/42/58/218294258.db2.gz QOAIGCDLUYYXIY-AWEZNQCLSA-N 0 0 333.505 4.042 50 0 EIAARN Cc1nn2c(nc(C)cc2NCc2ccccn2)c1-c1ccc(F)cc1 ZINC000009061187 211035601 /nfs/dbraw/zinc/03/56/01/211035601.db2.gz OYHJVHZXPNKLBE-UHFFFAOYSA-N 0 0 347.397 4.159 50 0 EIAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCc2ccccc21 ZINC000009050790 211034231 /nfs/dbraw/zinc/03/42/31/211034231.db2.gz KUAMQKWBBCMXAB-UHFFFAOYSA-N 0 0 338.407 4.461 50 0 EIAARN Cc1cccc2cc(C(=O)NCc3cccc(N4CCCC4)c3)n(C)c21 ZINC000095368841 218301332 /nfs/dbraw/zinc/30/13/32/218301332.db2.gz YFVNHAVLJCSNOU-UHFFFAOYSA-N 0 0 347.462 4.017 50 0 EIAARN NC(=O)[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000008983187 211026011 /nfs/dbraw/zinc/02/60/11/211026011.db2.gz PZKMCFSAJHIJNY-LLVKDONJSA-N 0 0 346.761 4.073 50 0 EIAARN CSc1cccc(CN(C)C(=O)c2cc3cccc(C)c3n2C)c1 ZINC000095372532 218305751 /nfs/dbraw/zinc/30/57/51/218305751.db2.gz MQBYVGZXVBTVBI-UHFFFAOYSA-N 0 0 338.476 4.481 50 0 EIAARN C[C@@H](c1ccccc1F)N(C(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000095373551 218306453 /nfs/dbraw/zinc/30/64/53/218306453.db2.gz IMDLDGDVFSKFEA-LBPRGKRZSA-N 0 0 342.370 4.312 50 0 EIAARN C[C@@H](Nc1nc2ccccc2s1)c1ccc(N2CCOC2=O)cc1 ZINC000095377593 218309998 /nfs/dbraw/zinc/30/99/98/218309998.db2.gz BUWCJRJWLSURJT-GFCCVEGCSA-N 0 0 339.420 4.426 50 0 EIAARN Cc1ccccc1NC(=O)Nc1nnc(-c2cccc(F)c2)s1 ZINC000008927419 211020412 /nfs/dbraw/zinc/02/04/12/211020412.db2.gz RVTSDGJDXHRYAF-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN CCCCNC(=O)Cc1csc(SCc2ccc(C)cc2)n1 ZINC000008936123 211019676 /nfs/dbraw/zinc/01/96/76/211019676.db2.gz KIXBVDMHVMRTIL-UHFFFAOYSA-N 0 0 334.510 4.203 50 0 EIAARN CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(C)cc1 ZINC000008915726 211017558 /nfs/dbraw/zinc/01/75/58/211017558.db2.gz ARFXCTNFXWBIOW-UHFFFAOYSA-N 0 0 337.379 4.086 50 0 EIAARN CCOc1ccccc1C(=O)Nc1nonc1-c1ccc(Cl)cc1 ZINC000008915638 211016466 /nfs/dbraw/zinc/01/64/66/211016466.db2.gz SMXXOVKIRIEUKV-UHFFFAOYSA-N 0 0 343.770 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/nfs/dbraw/zinc/35/99/99/218359999.db2.gz VKEZCWVNJAYVBW-IIBYNOLFSA-N 0 0 344.418 4.301 50 0 EIAARN Cc1cc(C)nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000008548818 210963997 /nfs/dbraw/zinc/96/39/97/210963997.db2.gz PYQVJJZTFRNSNW-LLVKDONJSA-N 0 0 339.222 4.411 50 0 EIAARN COc1cc([C@@H](C)NCc2cscn2)ccc1SC(F)F ZINC000095421394 218363581 /nfs/dbraw/zinc/36/35/81/218363581.db2.gz HNPXFACTXZONPP-SECBINFHSA-N 0 0 330.425 4.317 50 0 EIAARN Cc1cccc2c1OCCC[C@@H]2NCc1nccn1Cc1ccccc1 ZINC000095423420 218365994 /nfs/dbraw/zinc/36/59/94/218365994.db2.gz JSQILKVMBQOOIS-FQEVSTJZSA-N 0 0 347.462 4.243 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(C)C ZINC000008478957 210957870 /nfs/dbraw/zinc/95/78/70/210957870.db2.gz RUIHIISVGUMADM-UHFFFAOYSA-N 0 0 339.844 4.273 50 0 EIAARN CCCOc1ccc(CNc2cc(C(=O)NC3CC3)ccc2C)cc1 ZINC000095428663 218370643 /nfs/dbraw/zinc/37/06/43/218370643.db2.gz LNUDEYPHEQPWFI-UHFFFAOYSA-N 0 0 338.451 4.288 50 0 EIAARN O=C(Nc1cccc(NCc2cccc3c[nH]nc32)c1)c1cccs1 ZINC000095428532 218370807 /nfs/dbraw/zinc/37/08/07/218370807.db2.gz YLHOVNYAOVTVAB-UHFFFAOYSA-N 0 0 348.431 4.489 50 0 EIAARN C[S@@](=O)Cc1cccc(NCc2ccc(Br)s2)c1 ZINC000095429146 218372153 /nfs/dbraw/zinc/37/21/53/218372153.db2.gz DDXCYIUJRCPJFF-SFHVURJKSA-N 0 0 344.299 4.001 50 0 EIAARN O=[S@](Cc1cccc(NCc2cccc(O)c2)c1)c1ccccc1 ZINC000095429125 218372219 /nfs/dbraw/zinc/37/22/19/218372219.db2.gz VIMKJLVCCJWBOL-DEOSSOPVSA-N 0 0 337.444 4.312 50 0 EIAARN CC(C)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000008428617 210952666 /nfs/dbraw/zinc/95/26/66/210952666.db2.gz VWLMPVQZMQLVJI-UHFFFAOYSA-N 0 0 330.472 4.033 50 0 EIAARN c1nc2n(n1)CCC[C@H]2NCc1ccc(Sc2ccccc2)cc1 ZINC000095436113 218378602 /nfs/dbraw/zinc/37/86/02/218378602.db2.gz LTNZMVNSUGXBBS-GOSISDBHSA-N 0 0 336.464 4.054 50 0 EIAARN Cc1[nH]c2ccc(C(=O)N3CC=C(c4cncc(F)c4)CC3)cc2c1C ZINC000095456631 218399841 /nfs/dbraw/zinc/39/98/41/218399841.db2.gz JJHYRGCPGWFNQW-UHFFFAOYSA-N 0 0 349.409 4.248 50 0 EIAARN Cc1ccc(OCCC(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000008192805 210911750 /nfs/dbraw/zinc/91/17/50/210911750.db2.gz ZESGAGNGHNMAMX-QGZVFWFLSA-N 0 0 327.449 4.117 50 0 EIAARN CC(C)n1ccc2c1cccc2C(=O)N1CCN(c2ccccc2)CC1 ZINC000095474936 218409171 /nfs/dbraw/zinc/40/91/71/218409171.db2.gz SUIVJLPSUTZCTB-UHFFFAOYSA-N 0 0 347.462 4.185 50 0 EIAARN Cc1c(NC(=O)N(C)C2CCSCC2)cccc1-n1cccc1 ZINC000095510671 218421724 /nfs/dbraw/zinc/42/17/24/218421724.db2.gz IWBQCTUCFPBUAI-UHFFFAOYSA-N 0 0 329.469 4.145 50 0 EIAARN C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000008086126 210892977 /nfs/dbraw/zinc/89/29/77/210892977.db2.gz FJHTUMSCUPHFQA-LBPRGKRZSA-N 0 0 333.790 4.319 50 0 EIAARN CCc1nc2ccccc2c(C)c1C(=O)NCc1ccccc1OC ZINC000008061217 210888424 /nfs/dbraw/zinc/88/84/24/210888424.db2.gz NYNITKZBJWNSGT-UHFFFAOYSA-N 0 0 334.419 4.044 50 0 EIAARN CCCCSc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000007997189 210881080 /nfs/dbraw/zinc/88/10/80/210881080.db2.gz OGKDTUQYOSIMPX-UHFFFAOYSA-N 0 0 341.477 4.076 50 0 EIAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCc2ccccc21 ZINC000007986833 210876465 /nfs/dbraw/zinc/87/64/65/210876465.db2.gz LRSLZIJXXVBVRB-UHFFFAOYSA-N 0 0 346.434 4.093 50 0 EIAARN COc1ccc(NC(C)=O)cc1Nc1ncnc2sc(C)c(C)c21 ZINC000007984053 210875923 /nfs/dbraw/zinc/87/59/23/210875923.db2.gz GDMNFNIQLQFILV-UHFFFAOYSA-N 0 0 342.424 4.019 50 0 EIAARN COCc1ccc([C@@H]2CCCN2C(=O)Nc2cc(OC)ccc2C)o1 ZINC000095944901 218457236 /nfs/dbraw/zinc/45/72/36/218457236.db2.gz ZGJMYZFMTIJVIJ-KRWDZBQOSA-N 0 0 344.411 4.112 50 0 EIAARN Cc1ccc([C@H](C)N(C)Cc2noc(Cc3ccccc3C)n2)cc1 ZINC000095964356 218469256 /nfs/dbraw/zinc/46/92/56/218469256.db2.gz IDZWBMQISVAVNR-KRWDZBQOSA-N 0 0 335.451 4.470 50 0 EIAARN Cc1occc1C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000007848064 210855175 /nfs/dbraw/zinc/85/51/75/210855175.db2.gz ARGHOTLEEIMLHZ-SECBINFHSA-N 0 0 342.178 4.079 50 0 EIAARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccccc1 ZINC000007699907 210834006 /nfs/dbraw/zinc/83/40/06/210834006.db2.gz WZYVKIWBESKODT-JLHYYAGUSA-N 0 0 342.320 4.360 50 0 EIAARN Cc1nc([C@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)no1 ZINC000095998815 218502971 /nfs/dbraw/zinc/50/29/71/218502971.db2.gz ZTDCOUQYZRAVIK-MRXNPFEDSA-N 0 0 328.416 4.144 50 0 EIAARN CC[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000007650808 210824786 /nfs/dbraw/zinc/82/47/86/210824786.db2.gz BJESLVDNAHDELQ-CQSZACIVSA-N 0 0 349.789 4.155 50 0 EIAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2ccccc2c1 ZINC000007645222 210824828 /nfs/dbraw/zinc/82/48/28/210824828.db2.gz VNGFMWSGAZACDG-UHFFFAOYSA-N 0 0 347.414 4.273 50 0 EIAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000007445169 210802363 /nfs/dbraw/zinc/80/23/63/210802363.db2.gz JDMJAEBFZFYEDP-UHFFFAOYSA-N 0 0 336.357 4.166 50 0 EIAARN C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007382806 210790553 /nfs/dbraw/zinc/79/05/53/210790553.db2.gz WFOYNDOXVQAKLC-JTQLQIEISA-N 0 0 326.293 4.284 50 0 EIAARN O=c1nc(CNc2ccc(Cl)cc2)[nH]c2sc3c(c21)CCCC3 ZINC000007321818 210784615 /nfs/dbraw/zinc/78/46/15/210784615.db2.gz 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Cn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccco1 ZINC000004923915 210326289 /nfs/dbraw/zinc/32/62/89/210326289.db2.gz ROWUVQGLQWXAFQ-UHFFFAOYSA-N 0 0 344.421 4.084 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000000040511 208555791 /nfs/dbraw/zinc/55/57/91/208555791.db2.gz IVYUUJUTIOIUHU-UHFFFAOYSA-N 0 0 348.642 4.411 50 0 EIAARN COc1cccc(C(=O)Nc2c3ccccc3nc3c2CCCC3)c1 ZINC000004922254 210323878 /nfs/dbraw/zinc/32/38/78/210323878.db2.gz KXTAJTJIRBTBRD-UHFFFAOYSA-N 0 0 332.403 4.375 50 0 EIAARN Cc1cccc(N[C@@H]2c3ccccc3C(=O)N2c2ccccn2)c1C ZINC000004915713 210323140 /nfs/dbraw/zinc/32/31/40/210323140.db2.gz RVEXFRKWSHDLMO-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN CC(C)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1 ZINC000004940421 210331425 /nfs/dbraw/zinc/33/14/25/210331425.db2.gz RXEMTEJGRQJYOQ-UHFFFAOYSA-N 0 0 346.430 4.272 50 0 EIAARN CCCCN1C(=O)S/C(=C\c2ccc(OCC)cc2OCC)C1=O ZINC000004873213 210310628 /nfs/dbraw/zinc/31/06/28/210310628.db2.gz BWGURAFRDWGTCX-WJDWOHSUSA-N 0 0 349.452 4.320 50 0 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RCJVZLHMJVEXIA-UHFFFAOYSA-N 0 0 327.306 4.244 50 0 EIAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1 ZINC000004854559 210302130 /nfs/dbraw/zinc/30/21/30/210302130.db2.gz DRJDHLHEVJWEKJ-NRFANRHFSA-N 0 0 345.446 4.111 50 0 EIAARN C[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000004853979 210300750 /nfs/dbraw/zinc/30/07/50/210300750.db2.gz CYXHKFCPUQJJSD-BZNIZROVSA-N 0 0 343.224 4.339 50 0 EIAARN COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccco1 ZINC000004869971 210308195 /nfs/dbraw/zinc/30/81/95/210308195.db2.gz SBTGXIHHGAUPIO-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN CCOc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000004866681 210306456 /nfs/dbraw/zinc/30/64/56/210306456.db2.gz ZXGFVZZONZDFHU-UHFFFAOYSA-N 0 0 327.277 4.496 50 0 EIAARN CC[C@H](C)Sc1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000004815809 210286334 /nfs/dbraw/zinc/28/63/34/210286334.db2.gz LNKRRXSGQFHFAM-QMMMGPOBSA-N 0 0 327.862 4.334 50 0 EIAARN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccs1 ZINC000004842545 210296538 /nfs/dbraw/zinc/29/65/38/210296538.db2.gz WGELDHRSCPRDMM-UHFFFAOYSA-N 0 0 334.400 4.486 50 0 EIAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)c1ccccc1C ZINC000004840320 210294925 /nfs/dbraw/zinc/29/49/25/210294925.db2.gz MZXUHAULOZGHSI-UHFFFAOYSA-N 0 0 333.435 4.417 50 0 EIAARN COc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 ZINC000004837879 210293361 /nfs/dbraw/zinc/29/33/61/210293361.db2.gz OCXWLCVGHDOCOX-UHFFFAOYSA-N 0 0 349.434 4.118 50 0 EIAARN Cc1ccccc1O[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000004833569 210292306 /nfs/dbraw/zinc/29/23/06/210292306.db2.gz VXLUEAXZNAMPMO-SFHVURJKSA-N 0 0 337.463 4.244 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000004833701 210291959 /nfs/dbraw/zinc/29/19/59/210291959.db2.gz UGBPZROAJWLIBU-HXUWFJFHSA-N 0 0 344.414 4.105 50 0 EIAARN Cc1noc(C)c1COC(=O)CSc1ccc2ccccc2c1 ZINC000004825698 210289818 /nfs/dbraw/zinc/28/98/18/210289818.db2.gz LMBCMTUVEURLTK-UHFFFAOYSA-N 0 0 327.405 4.280 50 0 EIAARN COc1ccccc1-c1nc(-c2cccc(Br)c2)no1 ZINC000004782985 210277052 /nfs/dbraw/zinc/27/70/52/210277052.db2.gz VCZGRQURDVFMNG-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN Cc1cc(C(=O)OCCOc2ccc(Cl)cc2)c2ccccc2n1 ZINC000004766272 210273647 /nfs/dbraw/zinc/27/36/47/210273647.db2.gz FXTBTWJQTFGMCU-UHFFFAOYSA-N 0 0 341.794 4.432 50 0 EIAARN O=C(Cn1ncc2ccccc21)Nc1cccc(NC2CCCC2)c1 ZINC000117977301 221104524 /nfs/dbraw/zinc/10/45/24/221104524.db2.gz MCOYVBBQAJOJDG-UHFFFAOYSA-N 0 0 334.423 4.030 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)NCC1(c2cccc(Cl)c2)CC1 ZINC000154823470 224310324 /nfs/dbraw/zinc/31/03/24/224310324.db2.gz MYYVTJYICGPOJE-UHFFFAOYSA-N 0 0 338.838 4.212 50 0 EIAARN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](C)Oc1ccccc1)CCC2 ZINC000119220222 221269809 /nfs/dbraw/zinc/26/98/09/221269809.db2.gz BLFVSOJESGSMGB-CZUORRHYSA-N 0 0 344.480 4.009 50 0 EIAARN COc1ccc(/C=C\C(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000006130388 257838022 /nfs/dbraw/zinc/83/80/22/257838022.db2.gz MIBDGHRUHQBXJU-CLFYSBASSA-N 0 0 325.408 4.281 50 0 EIAARN COCC1=CCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000186934733 257953078 /nfs/dbraw/zinc/95/30/78/257953078.db2.gz INARISRNFISGTQ-UHFFFAOYSA-N 0 0 334.485 4.388 50 0 EIAARN Cc1nc(C)c(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)o1 ZINC000175750409 257953893 /nfs/dbraw/zinc/95/38/93/257953893.db2.gz GIXIBGYNXMPERF-UHFFFAOYSA-N 0 0 332.403 4.106 50 0 EIAARN CC(C)N(C(=O)c1ccccc1-c1cccc(-n2cnnc2)c1)C(C)C ZINC000426727499 257957005 /nfs/dbraw/zinc/95/70/05/257957005.db2.gz NUTODBDDOXCIPB-UHFFFAOYSA-N 0 0 348.450 4.193 50 0 EIAARN CCCOc1cc(Nc2ccc(NC(=O)CC(C)C)cc2)nc(C)n1 ZINC000012225515 257927081 /nfs/dbraw/zinc/92/70/81/257927081.db2.gz UQVLSAGSFRGYLM-UHFFFAOYSA-N 0 0 342.443 4.302 50 0 EIAARN CSc1cccc(NC(=O)N[C@@H]2CCCC23CCOCC3)c1C ZINC000282077044 257938474 /nfs/dbraw/zinc/93/84/74/257938474.db2.gz NMWBXIHGWXNATF-MRXNPFEDSA-N 0 0 334.485 4.188 50 0 EIAARN CCn1c(=O)c2c(nc1SC)-c1ccccc1CC21CCCC1 ZINC000000119082 258047512 /nfs/dbraw/zinc/04/75/12/258047512.db2.gz ZKENJIDWQACMEP-UHFFFAOYSA-N 0 0 326.465 4.020 50 0 biogenic EIAARN CC(=O)c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000000130399 258047681 /nfs/dbraw/zinc/04/76/81/258047681.db2.gz OQKUWVMADSOKLI-UHFFFAOYSA-N 0 0 338.190 4.214 50 0 EIAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000452459 258048092 /nfs/dbraw/zinc/04/80/92/258048092.db2.gz DMGQTIGGCUFODT-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN O=C(Nc1scnc1-c1ccccc1)c1cc(F)cc2nc[nH]c21 ZINC000102758987 257976516 /nfs/dbraw/zinc/97/65/16/257976516.db2.gz ZSVRSJIWDAAMKH-UHFFFAOYSA-N 0 0 338.367 4.078 50 0 EIAARN COc1ccccc1COc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000000307902 258003214 /nfs/dbraw/zinc/00/32/14/258003214.db2.gz AWJGDZWHOLOYIO-UHFFFAOYSA-N 0 0 336.387 4.178 50 0 biogenic EIAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000334162468 258015836 /nfs/dbraw/zinc/01/58/36/258015836.db2.gz OCZFYSDFIGUXJR-UHFFFAOYSA-N 0 0 333.343 4.408 50 0 EIAARN CCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1N(C)C ZINC000334163444 258015995 /nfs/dbraw/zinc/01/59/95/258015995.db2.gz SIYHDPXATVHDRM-FQEVSTJZSA-N 0 0 347.462 4.200 50 0 EIAARN CCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1N(C)C ZINC000334163445 258016016 /nfs/dbraw/zinc/01/60/16/258016016.db2.gz SIYHDPXATVHDRM-HXUWFJFHSA-N 0 0 347.462 4.200 50 0 EIAARN CCCc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12 ZINC000000082675 258047244 /nfs/dbraw/zinc/04/72/44/258047244.db2.gz XTLYDLCPGJZMTE-UHFFFAOYSA-N 0 0 340.350 4.146 50 0 EIAARN CSCC1CCN(C(=O)c2cccc(-c3ccncc3F)c2)CC1 ZINC000299772938 258084769 /nfs/dbraw/zinc/08/47/69/258084769.db2.gz CYLAGUBXCBHNCH-UHFFFAOYSA-N 0 0 344.455 4.103 50 0 EIAARN CCSCCN(C(=O)c1cccn2cc(C)nc12)C1CCCCC1 ZINC000299775880 258086678 /nfs/dbraw/zinc/08/66/78/258086678.db2.gz LKITYRXNPVCOPV-UHFFFAOYSA-N 0 0 345.512 4.171 50 0 EIAARN O=C([C@@H]1CCCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000299785124 258092624 /nfs/dbraw/zinc/09/26/24/258092624.db2.gz JCTASYFEANJUSK-NRFANRHFSA-N 0 0 349.474 4.164 50 0 EIAARN CSc1ccccc1NC(=O)N[C@H](c1cc(C)ccn1)C1CC1 ZINC000299794447 258099427 /nfs/dbraw/zinc/09/94/27/258099427.db2.gz KJWORASZFTZLMT-KRWDZBQOSA-N 0 0 327.453 4.385 50 0 EIAARN C[C@H](Cc1cnccn1)NC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000299796968 258100983 /nfs/dbraw/zinc/10/09/83/258100983.db2.gz QITCAFZXXRCGMH-OAHLLOKOSA-N 0 0 338.455 4.277 50 0 EIAARN CC(C)c1nnc([C@@H](C)NC(=O)C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000299798737 258102443 /nfs/dbraw/zinc/10/24/43/258102443.db2.gz RCCWUMHNAYIGPX-GFCCVEGCSA-N 0 0 347.846 4.146 50 0 EIAARN CCOc1c(Cl)cc(C(=O)NCCc2ccccc2)cc1Cl ZINC000000465426 258048570 /nfs/dbraw/zinc/04/85/70/258048570.db2.gz UTJJIYDECQGODG-UHFFFAOYSA-N 0 0 338.234 4.365 50 0 EIAARN CCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)o1 ZINC000000998226 258048973 /nfs/dbraw/zinc/04/89/73/258048973.db2.gz LINTXCZYFAEULC-UHFFFAOYSA-N 0 0 336.210 4.241 50 0 EIAARN Nc1c(-c2ccsc2)cnn1-c1nc(-c2ccccc2F)cs1 ZINC000001386191 258049042 /nfs/dbraw/zinc/04/90/42/258049042.db2.gz JNNMKLHSQARAKJ-UHFFFAOYSA-N 0 0 342.424 4.446 50 0 EIAARN O=C(CCCCC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000002172326 258049688 /nfs/dbraw/zinc/04/96/88/258049688.db2.gz ZEYBUYQNABFBNB-UHFFFAOYSA-N 0 0 348.446 4.270 50 0 EIAARN Cc1ccc(C)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000003436760 258050688 /nfs/dbraw/zinc/05/06/88/258050688.db2.gz NXSLZXLUSWXKRQ-UHFFFAOYSA-N 0 0 335.403 4.143 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)nnn1-c1ccc(Cl)cc1 ZINC000004313375 258050951 /nfs/dbraw/zinc/05/09/51/258050951.db2.gz PZQVRWGCNATEJC-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc3cccnc32)c(Cl)c1 ZINC000006127964 258051662 /nfs/dbraw/zinc/05/16/62/258051662.db2.gz MQGOPVHIIFFPDY-UHFFFAOYSA-N 0 0 326.783 4.214 50 0 EIAARN O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(F)c1 ZINC000007127806 258052973 /nfs/dbraw/zinc/05/29/73/258052973.db2.gz KMQFEURICLCSFE-UHFFFAOYSA-N 0 0 331.730 4.491 50 0 EIAARN Cc1cc2occ(CC(=O)Oc3ccc4ccc(=O)oc4c3)c2cc1C ZINC000007977944 258053339 /nfs/dbraw/zinc/05/33/39/258053339.db2.gz YIEIHTWAZYCDDU-UHFFFAOYSA-N 0 0 348.354 4.304 50 0 EIAARN CCc1nnc(CSc2nnc(Nc3cccc(C)c3C)s2)o1 ZINC000009368083 258054075 /nfs/dbraw/zinc/05/40/75/258054075.db2.gz FAIKUGDTYXVLDF-UHFFFAOYSA-N 0 0 347.469 4.136 50 0 EIAARN CCCCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C ZINC000011565951 258054327 /nfs/dbraw/zinc/05/43/27/258054327.db2.gz YQIOOLXLDHXFQW-UHFFFAOYSA-N 0 0 333.453 4.283 50 0 EIAARN O=C(CCc1ccco1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012615686 258055201 /nfs/dbraw/zinc/05/52/01/258055201.db2.gz IYZKTCBMQCHISU-SFHVURJKSA-N 0 0 329.396 4.319 50 0 EIAARN Cc1cn2c([nH]1)c(-c1nc3ccccc3s1)c(=O)c1ccccc12 ZINC000012879244 258055630 /nfs/dbraw/zinc/05/56/30/258055630.db2.gz KJHKRJMHMKJNME-UHFFFAOYSA-N 0 0 331.400 4.366 50 0 EIAARN CCc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 ZINC000012879166 258055673 /nfs/dbraw/zinc/05/56/73/258055673.db2.gz VDJSZZZPMYKHJT-UHFFFAOYSA-N 0 0 326.421 4.204 50 0 EIAARN Cc1ccccc1OCCN(C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000017116363 258056718 /nfs/dbraw/zinc/05/67/18/258056718.db2.gz DUCVOJTWTDTDSC-SFHVURJKSA-N 0 0 340.467 4.037 50 0 EIAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2NCc1ccccn1 ZINC000040216638 258059746 /nfs/dbraw/zinc/05/97/46/258059746.db2.gz OFNJITSJIISXFV-UHFFFAOYSA-N 0 0 329.407 4.020 50 0 EIAARN COc1cccc(-c2noc(CNc3cc(Cl)ccc3OC)n2)c1 ZINC000066861748 258063303 /nfs/dbraw/zinc/06/33/03/258063303.db2.gz JJUPXUAXHVDMMC-UHFFFAOYSA-N 0 0 345.786 4.019 50 0 EIAARN COc1cc(-c2ccc(CC(=O)N(C)C)cc2)cc(C(F)(F)F)c1 ZINC000096164959 258067770 /nfs/dbraw/zinc/06/77/70/258067770.db2.gz JGXBKUSAPVFCQC-UHFFFAOYSA-N 0 0 337.341 4.012 50 0 EIAARN C[C@@H](Sc1nnc(C(C)(C)C)o1)c1noc(-c2ccccc2)n1 ZINC000170615487 258071133 /nfs/dbraw/zinc/07/11/33/258071133.db2.gz NNQKLXHHRJMZDK-SNVBAGLBSA-N 0 0 330.413 4.270 50 0 EIAARN O=C(C[C@H]1CCCOC1)NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000299766975 258081299 /nfs/dbraw/zinc/08/12/99/258081299.db2.gz FXDGNFVIZKEEEV-CYBMUJFWSA-N 0 0 333.815 4.033 50 0 EIAARN CO[C@@H](C(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000183728624 533322291 /nfs/dbraw/zinc/32/22/91/533322291.db2.gz NSUFMTXEHLSVJG-CQSZACIVSA-N 0 0 327.277 4.171 50 0 EIAARN C[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@H](c2ccco2)C1 ZINC000158424730 533620361 /nfs/dbraw/zinc/62/03/61/533620361.db2.gz AOWQDWXCEBXKBY-IUCAKERBSA-N 0 0 342.371 4.074 50 0 EIAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)o1 ZINC000054702738 132192482 /nfs/dbraw/zinc/19/24/82/132192482.db2.gz JPZMZJYLLAAYSP-KRWDZBQOSA-N 0 0 339.782 4.408 50 0 EIAARN Cc1oc(-c2cccs2)nc1CN1CCN(c2ccccc2)CC1 ZINC000057406580 132200374 /nfs/dbraw/zinc/20/03/74/132200374.db2.gz RSFYRTRXOYILGW-UHFFFAOYSA-N 0 0 339.464 4.034 50 0 EIAARN Cc1ccc2nc(N3CCCCC3)n3c(-c4ccccc4)nnc3c2c1 ZINC000034699810 132388069 /nfs/dbraw/zinc/38/80/69/132388069.db2.gz LCQAVELLAHZBIL-UHFFFAOYSA-N 0 0 343.434 4.243 50 0 EIAARN Clc1cnc(N2CCN(C/C=C\c3ccccc3)CC2)c(Cl)c1 ZINC000035681499 132389943 /nfs/dbraw/zinc/38/99/43/132389943.db2.gz BIWUYKYOINRVBO-DAXSKMNVSA-N 0 0 348.277 4.224 50 0 EIAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C)c(F)c1 ZINC000035477662 132390457 /nfs/dbraw/zinc/39/04/57/132390457.db2.gz RLWBXXLYTYGCMF-UHFFFAOYSA-N 0 0 331.416 4.290 50 0 EIAARN O=C(c1ccc2c(c1)OCO2)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000040069921 132398257 /nfs/dbraw/zinc/39/82/57/132398257.db2.gz KBWUMDVQWVKTTB-UHFFFAOYSA-N 0 0 349.308 4.027 50 0 EIAARN O=C(/C=C/c1cccc2ccccc12)N1CCN(c2ccccc2)CC1 ZINC000000102976 135644778 /nfs/dbraw/zinc/64/47/78/135644778.db2.gz RDQMYPNMNUPZNG-BUHFOSPRSA-N 0 0 342.442 4.202 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000000183497 135646422 /nfs/dbraw/zinc/64/64/22/135646422.db2.gz NWKSDDFZNYNLTQ-IBGZPJMESA-N 0 0 334.350 4.302 50 0 EIAARN COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cccc(C)n1 ZINC000000381971 135649557 /nfs/dbraw/zinc/64/95/57/135649557.db2.gz ORWUNGVPEFXEBK-HXUWFJFHSA-N 0 0 345.402 4.170 50 0 EIAARN O=C(c1cc2ccccc2o1)N1CCN(c2ccccc2Cl)CC1 ZINC000002663902 135658084 /nfs/dbraw/zinc/65/80/84/135658084.db2.gz CJDWLSPYPPAPQZ-UHFFFAOYSA-N 0 0 340.810 4.049 50 0 EIAARN Cc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3C)C[C@H]2C)cc1 ZINC000006698213 135675241 /nfs/dbraw/zinc/67/52/41/135675241.db2.gz JHSKVGDRAVNDCX-GOSISDBHSA-N 0 0 337.467 4.354 50 0 EIAARN C[C@@H](Cc1cc(C(=O)N2CCOc3ccccc32)on1)c1ccccc1 ZINC000012124377 135692223 /nfs/dbraw/zinc/69/22/23/135692223.db2.gz MICCCVUXLKGBFE-HNNXBMFYSA-N 0 0 348.402 4.060 50 0 EIAARN O=C(c1cccc(Oc2ccccc2)c1)N1CC(=O)Nc2ccccc21 ZINC000014017865 135704332 /nfs/dbraw/zinc/70/43/32/135704332.db2.gz FZULDRSRONUBKM-UHFFFAOYSA-N 0 0 344.370 4.078 50 0 EIAARN O=C(CCC(=O)c1ccccc1)Nc1ccccc1N1CCCCC1 ZINC000028700422 135741168 /nfs/dbraw/zinc/74/11/68/135741168.db2.gz CAFDVCQJJUMWIV-UHFFFAOYSA-N 0 0 336.435 4.279 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000169760447 226563368 /nfs/dbraw/zinc/56/33/68/226563368.db2.gz SKZDAZOQJWNABQ-SFHVURJKSA-N 0 0 347.418 4.331 50 0 EIAARN CCn1nc(C)c(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c1C ZINC000121072660 221749836 /nfs/dbraw/zinc/74/98/36/221749836.db2.gz KHKXFOVXEYDDPJ-IUODEOHRSA-N 0 0 330.432 4.118 50 0 EIAARN CC(C)Sc1ccccc1NC(=O)c1cc(-n2cccn2)ccn1 ZINC000122424421 222083197 /nfs/dbraw/zinc/08/31/97/222083197.db2.gz VYSZLURPMJMSQW-UHFFFAOYSA-N 0 0 338.436 4.020 50 0 EIAARN O=C(Nc1ccccc1-c1ccccc1)N(C[C@@H]1CCOC1)C1CC1 ZINC000123507062 222288254 /nfs/dbraw/zinc/28/82/54/222288254.db2.gz OHKKNCKMRDLZFS-INIZCTEOSA-N 0 0 336.435 4.386 50 0 EIAARN O=C(CN1CCc2ccccc21)Nc1ccccc1Cc1ccccc1 ZINC000002637349 262505925 /nfs/dbraw/zinc/50/59/25/262505925.db2.gz QRWJPIZDHOPJCJ-UHFFFAOYSA-N 0 0 342.442 4.279 50 0 EIAARN CC(=O)c1ccc(OCCC(=O)Nc2cccc3c2CCCC3)cc1 ZINC000036385435 262525878 /nfs/dbraw/zinc/52/58/78/262525878.db2.gz PIOZSGIOLPAOER-UHFFFAOYSA-N 0 0 337.419 4.176 50 0 EIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cccc2cccnc21 ZINC000061071526 262530062 /nfs/dbraw/zinc/53/00/62/262530062.db2.gz LDETXGHEJYSUHB-UHFFFAOYSA-N 0 0 333.416 4.117 50 0 EIAARN CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCc2cnccn2)cc1 ZINC000253428729 519839414 /nfs/dbraw/zinc/83/94/14/519839414.db2.gz LBXWNAVTGDQORK-FQEVSTJZSA-N 0 0 337.467 4.286 50 0 EIAARN CCNC(=O)c1ccc(NCc2csc(C(C)(C)C)n2)c(C)c1 ZINC000153653631 519896322 /nfs/dbraw/zinc/89/63/22/519896322.db2.gz ALPYHZTVOWEMCX-UHFFFAOYSA-N 0 0 331.485 4.111 50 0 EIAARN COc1ccc(C(=O)N2CCCc3ccccc32)cc1Br ZINC000000038883 523645124 /nfs/dbraw/zinc/64/51/24/523645124.db2.gz YZQXDXWLJMPIGJ-UHFFFAOYSA-N 0 0 346.224 4.051 50 0 EIAARN COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000045120535 523856964 /nfs/dbraw/zinc/85/69/64/523856964.db2.gz PYTCCWAXGYLIQH-MAUKXSAKSA-N 0 0 339.439 4.006 50 0 EIAARN C[C@H](CN(C)C(=O)N[C@H](C)c1ccccc1Cl)c1nccs1 ZINC000182050547 524283034 /nfs/dbraw/zinc/28/30/34/524283034.db2.gz AQFBCMJBUZGSKI-VXGBXAGGSA-N 0 0 337.876 4.303 50 0 EIAARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000253497718 534779540 /nfs/dbraw/zinc/77/95/40/534779540.db2.gz ITUMQEGPSUTXQQ-OAUKXNRCSA-N 0 0 346.511 4.178 50 0 EIAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1C ZINC000000037929 524718821 /nfs/dbraw/zinc/71/88/21/524718821.db2.gz UOEZEJCRTBOPAD-UHFFFAOYSA-N 0 0 338.451 4.311 50 0 EIAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC1CCOCC1 ZINC000117128319 526052879 /nfs/dbraw/zinc/05/28/79/526052879.db2.gz BZZPLAPURVDYJV-LLVKDONJSA-N 0 0 330.255 4.330 50 0 EIAARN Cc1ccc(C(=O)N2c3ccccc3O[C@H](c3ccccc3)C2=O)cc1 ZINC000000069379 526143092 /nfs/dbraw/zinc/14/30/92/526143092.db2.gz UGBCOLSYAACMKM-HXUWFJFHSA-N 0 0 343.382 4.302 50 0 EIAARN Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000078848856 526534751 /nfs/dbraw/zinc/53/47/51/526534751.db2.gz GCDRXYGDMAFIPV-LIRRHRJNSA-N 0 0 343.471 4.309 50 0 EIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)NCc1cccc(Cl)c1 ZINC000035536468 526843868 /nfs/dbraw/zinc/84/38/68/526843868.db2.gz IRCKNDLDLNNPEE-UHFFFAOYSA-N 0 0 344.773 4.373 50 0 EIAARN Cn1c(Cc2cccs2)nnc1SCc1ccccc1Cl ZINC000014112773 527068114 /nfs/dbraw/zinc/06/81/14/527068114.db2.gz LWKHNWHDPYSCJJ-UHFFFAOYSA-N 0 0 335.885 4.413 50 0 EIAARN CC(=O)Nc1cccc([C@H](C)NCc2cc(-c3ccccc3)on2)c1 ZINC000154738939 527083706 /nfs/dbraw/zinc/08/37/06/527083706.db2.gz IIYUBALHEQRVMV-AWEZNQCLSA-N 0 0 335.407 4.151 50 0 EIAARN O=c1cc(CNc2cccc(-c3cccs3)c2)nc2ccccn12 ZINC000225531727 527479440 /nfs/dbraw/zinc/47/94/40/527479440.db2.gz NPPHXWJOFLEJKV-UHFFFAOYSA-N 0 0 333.416 4.035 50 0 EIAARN CCN(C(=O)c1cnn(CCC(F)(F)F)c1)c1cc(C)ccc1C ZINC000181929070 529100096 /nfs/dbraw/zinc/10/00/96/529100096.db2.gz DRSBXESZHRYDTI-UHFFFAOYSA-N 0 0 339.361 4.119 50 0 EIAARN CC[C@@H](C(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccc(OC)cc1 ZINC000192604495 529276392 /nfs/dbraw/zinc/27/63/92/529276392.db2.gz KICJYNAUJFBNPY-SJLPKXTDSA-N 0 0 344.480 4.317 50 0 EIAARN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1nc2c(s1)CCCC2 ZINC000242292549 535017640 /nfs/dbraw/zinc/01/76/40/535017640.db2.gz YNENUNKJWJQQIM-NSHDSACASA-N 0 0 347.406 4.217 50 0 EIAARN CC(C)(C)c1cnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1 ZINC000227163834 535138330 /nfs/dbraw/zinc/13/83/30/535138330.db2.gz SKQQEGALUWGISD-UHFFFAOYSA-N 0 0 330.403 4.131 50 0 EIAARN CCCc1nc(C)c(CNC(=O)Cc2c(F)cccc2Cl)s1 ZINC000222428198 535505109 /nfs/dbraw/zinc/50/51/09/535505109.db2.gz HYZTXQVGUQOKAE-UHFFFAOYSA-N 0 0 340.851 4.055 50 0 EIAARN CCc1cccc(C)c1NC(=O)CN1CCn2c(Cl)ccc2[C@H]1C ZINC000225843537 535864686 /nfs/dbraw/zinc/86/46/86/535864686.db2.gz CGBRVORCTKFXQC-CQSZACIVSA-N 0 0 345.874 4.028 50 0 EIAARN CO[C@H](CNC(=O)/C=C/c1cccs1)c1cc2ccccc2o1 ZINC000253473498 536578065 /nfs/dbraw/zinc/57/80/65/536578065.db2.gz VPJWMKLVYYYYQC-KBOKABMXSA-N 0 0 327.405 4.011 50 0 EIAARN COc1ccc([C@H]2CCCCN(C(=O)CSC3CCCC3)C2)cc1 ZINC000206882641 536938620 /nfs/dbraw/zinc/93/86/20/536938620.db2.gz GKYXGYNGODZPFK-KRWDZBQOSA-N 0 0 347.524 4.467 50 0 EIAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SC(C)C)o1 ZINC000013748298 563720765 /nfs/dbraw/zinc/72/07/65/563720765.db2.gz OQBCRMMXJXMVLO-QWRGUYRKSA-N 0 0 329.466 4.182 50 0 EIAARN O=C(Nc1ccc(Cl)c(Cl)c1)C(=S)NC1CCCCC1 ZINC000000041477 563968632 /nfs/dbraw/zinc/96/86/32/563968632.db2.gz OKJOPQIGGGCHMW-UHFFFAOYSA-N 0 0 331.268 4.182 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Br)c(C)c2)c1C ZINC000000429443 563999051 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/nfs/dbraw/zinc/21/77/98/563217798.db2.gz HCTDFGIJRGSLLB-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN S=C1N=C(c2ccccc2)C[C@@H](c2ccc(Br)cc2)N1 ZINC000000085824 563219944 /nfs/dbraw/zinc/21/99/44/563219944.db2.gz KQCZHXHDFFWTQL-HNNXBMFYSA-N 0 0 345.265 4.009 50 0 EIAARN C[C@@H]1CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1 ZINC000000086413 563220481 /nfs/dbraw/zinc/22/04/81/563220481.db2.gz QWBDZHAFOLPGSV-CQSZACIVSA-N 0 0 325.437 4.212 50 0 EIAARN C[C@@H]1CCc2c(sc3ncnc(Nc4ccc5c(c4)OCO5)c23)C1 ZINC000000090125 563221793 /nfs/dbraw/zinc/22/17/93/563221793.db2.gz VIIBPIKBKUPPIT-SNVBAGLBSA-N 0 0 339.420 4.288 50 0 EIAARN O=C(NC[C@H]1CCCO1)N1c2ccccc2Sc2ccccc21 ZINC000000091230 563222447 /nfs/dbraw/zinc/22/24/47/563222447.db2.gz JREVVDNYEBPNSB-CYBMUJFWSA-N 0 0 326.421 4.178 50 0 EIAARN O=C(Cc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000000094605 563223620 /nfs/dbraw/zinc/22/36/20/563223620.db2.gz QRJKAWJQSFYOSR-UHFFFAOYSA-N 0 0 345.358 4.178 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 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O=C(c1cccc2c1-c1ccccc1C2=O)N1CCCc2ccccc21 ZINC000000116998 563232090 /nfs/dbraw/zinc/23/20/90/563232090.db2.gz XQJACRHWGZSYAJ-UHFFFAOYSA-N 0 0 339.394 4.491 50 0 EIAARN COc1cccc(-n2c(-c3ccc(C)cc3)nc3ccccc3c2=O)c1 ZINC000000116844 563232122 /nfs/dbraw/zinc/23/21/22/563232122.db2.gz ZZRHFPZYMXCDEH-UHFFFAOYSA-N 0 0 342.398 4.370 50 0 EIAARN O=C(Nc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000000121370 563234376 /nfs/dbraw/zinc/23/43/76/563234376.db2.gz ZENZLVABFRDYLF-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000000123175 563235469 /nfs/dbraw/zinc/23/54/69/563235469.db2.gz CHGVIJIPGRMWAC-UHFFFAOYSA-N 0 0 336.627 4.448 50 0 EIAARN CCOc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1O ZINC000000124206 563236138 /nfs/dbraw/zinc/23/61/38/563236138.db2.gz HQACKSMDOMZMFQ-KRWDZBQOSA-N 0 0 333.387 4.418 50 0 EIAARN COc1cc(NC(=O)c2cccc(Cl)c2)c(OC)cc1Cl ZINC000000128507 563237610 /nfs/dbraw/zinc/23/76/10/563237610.db2.gz XJDOYGKNHCVNRA-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN O=C(NCCc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000000128820 563237632 /nfs/dbraw/zinc/23/76/32/563237632.db2.gz SVBMHGLUEORUAY-UHFFFAOYSA-N 0 0 341.414 4.202 50 0 EIAARN COc1ccccc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000000129020 563237652 /nfs/dbraw/zinc/23/76/52/563237652.db2.gz DXDQAQJNFUBNPQ-UHFFFAOYSA-N 0 0 343.386 4.262 50 0 EIAARN CCOC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1C ZINC000000141547 563242220 /nfs/dbraw/zinc/24/22/20/563242220.db2.gz IIAKMKFTRFPFKO-UHFFFAOYSA-N 0 0 333.602 4.318 50 0 EIAARN C[C@@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c23)C1 ZINC000000143662 563243331 /nfs/dbraw/zinc/24/33/31/563243331.db2.gz YZNXZMZUADGCIU-LLVKDONJSA-N 0 0 344.867 4.285 50 0 EIAARN CCOC(=O)c1cccc(Nc2ncnc3sc(C)c(C)c32)c1 ZINC000000144734 563243915 /nfs/dbraw/zinc/24/39/15/563243915.db2.gz NHCHBZOULACGJA-UHFFFAOYSA-N 0 0 327.409 4.228 50 0 EIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nnc(C(C)C)s1 ZINC000000148445 563245120 /nfs/dbraw/zinc/24/51/20/563245120.db2.gz XTZMVPYHODHPIW-SNVBAGLBSA-N 0 0 339.848 4.029 50 0 EIAARN C[C@@H](c1ccccc1)n1c(CCc2ccc(O)cc2)n[nH]c1=S ZINC000000150170 563246131 /nfs/dbraw/zinc/24/61/31/563246131.db2.gz CFOKTTYFJMWEKH-ZDUSSCGKSA-N 0 0 325.437 4.041 50 0 EIAARN O=C(OCc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000150340 563246136 /nfs/dbraw/zinc/24/61/36/563246136.db2.gz NMOYKBFAUKIKMN-UHFFFAOYSA-N 0 0 332.355 4.263 50 0 EIAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCCC2 ZINC000000179211 563253630 /nfs/dbraw/zinc/25/36/30/563253630.db2.gz QATJUZVPPXRKRQ-UHFFFAOYSA-N 0 0 328.437 4.146 50 0 EIAARN COc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1 ZINC000000195082 563257711 /nfs/dbraw/zinc/25/77/11/563257711.db2.gz HOIVZPBETIIUIY-UHFFFAOYSA-N 0 0 328.375 4.005 50 0 EIAARN Brc1ccc(-c2noc(COc3ccccc3)n2)cc1 ZINC000000205785 563259820 /nfs/dbraw/zinc/25/98/20/563259820.db2.gz QYBJZQAWRTYESV-UHFFFAOYSA-N 0 0 331.169 4.078 50 0 EIAARN FC(F)(F)c1cc(-c2ccco2)nc(NCCc2ccccc2)n1 ZINC000000213264 563261514 /nfs/dbraw/zinc/26/15/14/563261514.db2.gz RKVNKRKTJZOCBT-UHFFFAOYSA-N 0 0 333.313 4.410 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4.424 50 0 EIAARN COc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(OC)cc1Cl ZINC000000294365 563274170 /nfs/dbraw/zinc/27/41/70/563274170.db2.gz AJALOVWJXGIFRK-CHWSQXEVSA-N 0 0 331.799 4.099 50 0 EIAARN Cc1cccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1Cl ZINC000000301864 563275943 /nfs/dbraw/zinc/27/59/43/563275943.db2.gz PLDXHJTUGWOGCX-CYBMUJFWSA-N 0 0 348.229 4.424 50 0 EIAARN O=C(CSC1CCCCC1)Nc1ccc(Br)cc1 ZINC000000303291 563276726 /nfs/dbraw/zinc/27/67/26/563276726.db2.gz IHFDOQZTOHEJKN-UHFFFAOYSA-N 0 0 328.275 4.454 50 0 EIAARN Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C)c(C)c1 ZINC000000307541 563278426 /nfs/dbraw/zinc/27/84/26/563278426.db2.gz DXKBCPYGHRLOHX-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000310523 563280611 /nfs/dbraw/zinc/28/06/11/563280611.db2.gz SUCTVSUKTNHEDG-UHFFFAOYSA-N 0 0 339.416 4.304 50 0 EIAARN COc1cc(OC)cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000000311178 563280885 /nfs/dbraw/zinc/28/08/85/563280885.db2.gz VRBACWBFWCATJH-UHFFFAOYSA-N 0 0 343.276 4.114 50 0 EIAARN CCSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000000312781 563281751 /nfs/dbraw/zinc/28/17/51/563281751.db2.gz GAGLSSGMNWRWPS-UHFFFAOYSA-N 0 0 331.466 4.203 50 0 EIAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C)c(C)c1 ZINC000000319032 563284034 /nfs/dbraw/zinc/28/40/34/563284034.db2.gz USJBSPALORDWHL-UHFFFAOYSA-N 0 0 333.815 4.291 50 0 EIAARN O=C(Nc1ccccn1)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000327373 563284632 /nfs/dbraw/zinc/28/46/32/563284632.db2.gz WKPBIALGYQFOJI-OBXNSHGQSA-N 0 0 326.399 4.317 50 0 EIAARN COc1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000000333051 563284930 /nfs/dbraw/zinc/28/49/30/563284930.db2.gz JDFHIKIRIASUFG-QGZVFWFLSA-N 0 0 346.430 4.276 50 0 EIAARN COc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000000341462 563286213 /nfs/dbraw/zinc/28/62/13/563286213.db2.gz HYSLDRMKYPCSEV-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN CC(C)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000000341335 563286259 /nfs/dbraw/zinc/28/62/59/563286259.db2.gz WDEDOHGLFMLSEF-UHFFFAOYSA-N 0 0 334.213 4.489 50 0 EIAARN Cc1ccc(C)c(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000000342104 563286934 /nfs/dbraw/zinc/28/69/34/563286934.db2.gz DBJYBCFBLHOMPK-UHFFFAOYSA-N 0 0 342.464 4.217 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 ZINC000000357593 563291564 /nfs/dbraw/zinc/29/15/64/563291564.db2.gz XLCXHISTEVCQRW-NTEUORMPSA-N 0 0 330.387 4.450 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000358811 563291853 /nfs/dbraw/zinc/29/18/53/563291853.db2.gz DURPXMBYFPEAGY-UHFFFAOYSA-N 0 0 326.465 4.419 50 0 EIAARN O=C(NC(=S)Nc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000000359674 563292585 /nfs/dbraw/zinc/29/25/85/563292585.db2.gz CHXGZSIVTNENSY-UHFFFAOYSA-N 0 0 343.210 4.259 50 0 EIAARN Cc1ccccc1NC(=O)CSc1ccc(Br)cc1 ZINC000000361560 563294008 /nfs/dbraw/zinc/29/40/08/563294008.db2.gz OURXGFMJBPCVLO-UHFFFAOYSA-N 0 0 336.254 4.488 50 0 EIAARN CCC(CC)C(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl ZINC000000365480 563296108 /nfs/dbraw/zinc/29/61/08/563296108.db2.gz ZSCVVTZKIGFVNI-UHFFFAOYSA-N 0 0 338.879 4.491 50 0 EIAARN COc1cc(OC)c(C(=O)Oc2ccc3ccccc3c2)cc1OC ZINC000000365312 563296166 /nfs/dbraw/zinc/29/61/66/563296166.db2.gz LSHCXJOHCQFNKZ-UHFFFAOYSA-N 0 0 338.359 4.085 50 0 EIAARN Cc1cccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1C ZINC000000371746 563297837 /nfs/dbraw/zinc/29/78/37/563297837.db2.gz OGGXTBOBZZKVNF-UHFFFAOYSA-N 0 0 343.858 4.311 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000000381710 563299699 /nfs/dbraw/zinc/29/96/99/563299699.db2.gz HVNKKIMSOBBKGH-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN Clc1ccccc1Cc1nn2c(Cc3ccccc3)nnc2s1 ZINC000000385282 563301989 /nfs/dbraw/zinc/30/19/89/563301989.db2.gz DDGVVTVREVKEHZ-UHFFFAOYSA-N 0 0 340.839 4.021 50 0 EIAARN CCc1ccc(CNn2cnnc2SCc2ccccc2F)cc1 ZINC000000386365 563302825 /nfs/dbraw/zinc/30/28/25/563302825.db2.gz IZVOGABOUGJCLJ-UHFFFAOYSA-N 0 0 342.443 4.016 50 0 EIAARN CCn1c(SCc2ccccc2Cl)nnc1-c1cccnc1 ZINC000000422171 563309060 /nfs/dbraw/zinc/30/90/60/563309060.db2.gz YCRQXBFFTSUFSD-UHFFFAOYSA-N 0 0 330.844 4.306 50 0 EIAARN CCSc1nnc(COc2ccc(C)cc2)n1Cc1ccccc1 ZINC000000421439 563309141 /nfs/dbraw/zinc/30/91/41/563309141.db2.gz OPQLWFKQUGODFD-UHFFFAOYSA-N 0 0 339.464 4.326 50 0 EIAARN C[C@@]12C[C@@H](NC(=S)N1c1ccc(Cl)cc1)c1ccccc1O2 ZINC000000424756 563309856 /nfs/dbraw/zinc/30/98/56/563309856.db2.gz POXRXVUWBMVWOZ-RHSMWYFYSA-N 0 0 330.840 4.275 50 0 EIAARN O=C(Nc1nncs1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000432899 563311488 /nfs/dbraw/zinc/31/14/88/563311488.db2.gz XZHYNIDBYPHYSS-AWEZNQCLSA-N 0 0 327.434 4.010 50 0 EIAARN Cc1cc(C)cc(C[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000000435525 563312834 /nfs/dbraw/zinc/31/28/34/563312834.db2.gz LIMAMPGWZLQTOH-INIZCTEOSA-N 0 0 341.838 4.387 50 0 EIAARN CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000000442441 563314471 /nfs/dbraw/zinc/31/44/71/563314471.db2.gz GPVLHZKWWXNMLG-LJQANCHMSA-N 0 0 342.870 4.182 50 0 EIAARN O=C(CSCc1ccccc1)Nc1ccccc1Br ZINC000000443202 563315126 /nfs/dbraw/zinc/31/51/26/563315126.db2.gz DHLLSPCSTRKKLZ-UHFFFAOYSA-N 0 0 336.254 4.321 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 ZINC000000450433 563319306 /nfs/dbraw/zinc/31/93/06/563319306.db2.gz WIUHFQYMRLVZIC-SECBINFHSA-N 0 0 326.179 4.105 50 0 EIAARN Cc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c1 ZINC000000450485 563319322 /nfs/dbraw/zinc/31/93/22/563319322.db2.gz JBGOYHCYYYVHGC-UHFFFAOYSA-N 0 0 339.247 4.429 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1 ZINC000000454280 563322647 /nfs/dbraw/zinc/32/26/47/563322647.db2.gz INJIQHBFFMCXPI-SECBINFHSA-N 0 0 326.179 4.105 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccccc1 ZINC000000454301 563322674 /nfs/dbraw/zinc/32/26/74/563322674.db2.gz BGUZSKGWVNIBKS-GFCCVEGCSA-N 0 0 338.234 4.419 50 0 EIAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)ccc1Br ZINC000000456012 563323956 /nfs/dbraw/zinc/32/39/56/563323956.db2.gz SYVCWJGAIOPKAV-LBPRGKRZSA-N 0 0 334.213 4.164 50 0 EIAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1Cl ZINC000000456879 563324595 /nfs/dbraw/zinc/32/45/95/563324595.db2.gz CAPPPCNZPYNFGD-FNORWQNLSA-N 0 0 336.174 4.374 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c2c1 ZINC000000457472 563324788 /nfs/dbraw/zinc/32/47/88/563324788.db2.gz ILJCFVGMRRJACE-HNNXBMFYSA-N 0 0 333.387 4.280 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000460341 563326129 /nfs/dbraw/zinc/32/61/29/563326129.db2.gz IEIDZNGIOMLVRZ-UHFFFAOYSA-N 0 0 336.435 4.310 50 0 EIAARN O=C(COC(=O)c1cc2ccccc2cc1O)c1ccccc1Cl ZINC000000460782 563326642 /nfs/dbraw/zinc/32/66/42/563326642.db2.gz JBWIWDXGTIELIZ-UHFFFAOYSA-N 0 0 340.762 4.239 50 0 EIAARN CC1(C)[C@@]2(C(=O)Nc3ncc(Cl)cc3Cl)CC[C@]1(C)C(=O)C2 ZINC000000468366 563329648 /nfs/dbraw/zinc/32/96/48/563329648.db2.gz RMRHPJUQWQEFAC-CVEARBPZSA-N 0 0 341.238 4.112 50 0 EIAARN CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC ZINC000000474993 563333494 /nfs/dbraw/zinc/33/34/94/563333494.db2.gz AAFLALGGEYRGTR-UHFFFAOYSA-N 0 0 337.828 4.311 50 0 EIAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000000475230 563333781 /nfs/dbraw/zinc/33/37/81/563333781.db2.gz KHOKSQNHOLYGLN-GJZGRUSLSA-N 0 0 331.843 4.245 50 0 EIAARN COC(=O)c1ccc(OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000476279 563334413 /nfs/dbraw/zinc/33/44/13/563334413.db2.gz KXAUEFOHNUNGEP-UHFFFAOYSA-N 0 0 346.382 4.402 50 0 EIAARN CCOC(=O)c1c(C(C)C)csc1NC(=O)c1cccc(F)c1 ZINC000000477035 563334763 /nfs/dbraw/zinc/33/47/63/563334763.db2.gz NMXJRGACBUIVJW-UHFFFAOYSA-N 0 0 335.400 4.440 50 0 EIAARN c1c(-n2nnc3ccccc32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000480036 563336135 /nfs/dbraw/zinc/33/61/35/563336135.db2.gz PVYWLPUNFQDJCA-UHFFFAOYSA-N 0 0 337.386 4.273 50 0 EIAARN COC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CC[C@@H](C)C2 ZINC000000483973 563337996 /nfs/dbraw/zinc/33/79/96/563337996.db2.gz XDYCFCOAZXAOBK-SNVBAGLBSA-N 0 0 349.496 4.280 50 0 EIAARN O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000000509172 563339711 /nfs/dbraw/zinc/33/97/11/563339711.db2.gz SEKXIYLJJLZNSN-UHFFFAOYSA-N 0 0 341.414 4.015 50 0 EIAARN COc1ccc([C@H](C)NC(=O)C[C@H](C)c2ccccc2)cc1OC ZINC000000519880 563340463 /nfs/dbraw/zinc/34/04/63/563340463.db2.gz VPRHXMASMQZGOF-GJZGRUSLSA-N 0 0 327.424 4.075 50 0 EIAARN CC1CCN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000525359 563341158 /nfs/dbraw/zinc/34/11/58/563341158.db2.gz ZWANYWRAKXRMQA-UHFFFAOYSA-N 0 0 338.476 4.100 50 0 EIAARN COc1ccc(-c2nnc3sc(-c4cccc(Cl)c4)nn32)cc1 ZINC000000533766 563343505 /nfs/dbraw/zinc/34/35/05/563343505.db2.gz HSGUXJUUGKRHDO-UHFFFAOYSA-N 0 0 342.811 4.182 50 0 EIAARN O=C(Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000000557987 563346337 /nfs/dbraw/zinc/34/63/37/563346337.db2.gz OJMJVRGSAGAIAS-UHFFFAOYSA-N 0 0 348.368 4.487 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccnc1 ZINC000000557976 563346378 /nfs/dbraw/zinc/34/63/78/563346378.db2.gz LDOMBYCGCPMGOO-UHFFFAOYSA-N 0 0 349.356 4.343 50 0 EIAARN CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000000574426 563350758 /nfs/dbraw/zinc/35/07/58/563350758.db2.gz COJZECXGZSRRQB-UHFFFAOYSA-N 0 0 340.206 4.410 50 0 EIAARN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1 ZINC000000578900 563351052 /nfs/dbraw/zinc/35/10/52/563351052.db2.gz WYGOXTNSMJHDGA-UHFFFAOYSA-N 0 0 346.430 4.490 50 0 EIAARN CSc1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000609578 563352860 /nfs/dbraw/zinc/35/28/60/563352860.db2.gz YBVRPLVRQNYOBQ-UHFFFAOYSA-N 0 0 346.496 4.045 50 0 EIAARN CCOC(=O)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000000618465 563360210 /nfs/dbraw/zinc/36/02/10/563360210.db2.gz UYZKYYVGZOOYMO-UHFFFAOYSA-N 0 0 326.783 4.369 50 0 EIAARN Cc1ccc(-c2nn(-c3ccc(Br)cc3)cc2C=O)cc1 ZINC000000732145 563362748 /nfs/dbraw/zinc/36/27/48/563362748.db2.gz ARNCWEIEKFVTDM-UHFFFAOYSA-N 0 0 341.208 4.423 50 0 EIAARN CC[C@H](C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)c1ccccc1 ZINC000000795408 563363462 /nfs/dbraw/zinc/36/34/62/563363462.db2.gz HYWFERYYCICFOV-ZDUSSCGKSA-N 0 0 342.464 4.431 50 0 EIAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CCCO4)cc3)sc2c1 ZINC000000804575 563363793 /nfs/dbraw/zinc/36/37/93/563363793.db2.gz WMAJULIUSGDHNE-MRXNPFEDSA-N 0 0 338.432 4.389 50 0 EIAARN CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCC2 ZINC000000974935 563366720 /nfs/dbraw/zinc/36/67/20/563366720.db2.gz FSIXZPXLTWNCOO-OUCADQQQSA-N 0 0 347.480 4.178 50 0 EIAARN Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000000993440 563367377 /nfs/dbraw/zinc/36/73/77/563367377.db2.gz SFDAJSHIVSTKDE-UHFFFAOYSA-N 0 0 335.359 4.102 50 0 EIAARN Cc1ccc2c(c1)C(=O)N(C(c1ccccc1)c1ccccc1)C2=O ZINC000000994271 563367419 /nfs/dbraw/zinc/36/74/19/563367419.db2.gz HEEJOGHYXAWZJX-UHFFFAOYSA-N 0 0 327.383 4.381 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C)c1 ZINC000001002143 563367763 /nfs/dbraw/zinc/36/77/63/563367763.db2.gz JVFJDPOIFJJDQP-UHFFFAOYSA-N 0 0 329.787 4.047 50 0 EIAARN Cc1ccc(CN2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1 ZINC000001127309 563375611 /nfs/dbraw/zinc/37/56/11/563375611.db2.gz MYARNXUQBNAUOW-HYLYESJESA-N 0 0 325.389 4.381 50 0 EIAARN COc1cccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000001169803 563377412 /nfs/dbraw/zinc/37/74/12/563377412.db2.gz NKZVXIOJBXPEKX-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN C[C@@H](NC(=O)Cc1noc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000071882929 563377445 /nfs/dbraw/zinc/37/74/45/563377445.db2.gz OXZZZYXRWQZHCA-LLVKDONJSA-N 0 0 343.452 4.002 50 0 EIAARN O=C(Nc1nncs1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001311822 563383168 /nfs/dbraw/zinc/38/31/68/563383168.db2.gz DLNVFJPJANBXEN-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN O=C1NN=C(c2ccc(Cl)cc2)C[C@H]1c1c(F)cccc1Cl ZINC000001397714 563386753 /nfs/dbraw/zinc/38/67/53/563386753.db2.gz DHUWLJNUMMLFFB-NSHDSACASA-N 0 0 337.181 4.140 50 0 EIAARN O=C(Cc1ccc(F)cc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000001424361 563388486 /nfs/dbraw/zinc/38/84/86/563388486.db2.gz VDAYSPQIXAKDAQ-UHFFFAOYSA-N 0 0 348.377 4.259 50 0 EIAARN CC1(C)[C@@]2(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@]1(C)C(=O)C2 ZINC000001432750 563389265 /nfs/dbraw/zinc/38/92/65/563389265.db2.gz GYENTNGSTLNTHQ-SJORKVTESA-N 0 0 339.357 4.429 50 0 EIAARN Nc1ccc(-c2ccc(N)cc2Br)c(Br)c1 ZINC000001610445 563396463 /nfs/dbraw/zinc/39/64/63/563396463.db2.gz 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CC(C)c1c(O)cc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=O ZINC000006493139 563569944 /nfs/dbraw/zinc/56/99/44/563569944.db2.gz NLZSMWXSSYKHLL-UHFFFAOYSA-N 0 0 340.810 4.382 50 0 EIAARN COc1ccccc1Cc1nc(-c2ccc(Br)cc2)no1 ZINC000006697467 563578706 /nfs/dbraw/zinc/57/87/06/563578706.db2.gz YWVIBUPHJUJEOB-UHFFFAOYSA-N 0 0 345.196 4.099 50 0 EIAARN C[C@H](NC(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000006703810 563581289 /nfs/dbraw/zinc/58/12/89/563581289.db2.gz PSTWABAQPOJGJL-JTQLQIEISA-N 0 0 345.761 4.020 50 0 EIAARN CC1CCN(C(=O)c2ccccc2NC(=O)Nc2ccccc2)CC1 ZINC000006728291 563583146 /nfs/dbraw/zinc/58/31/46/563583146.db2.gz JGFPUGHBKKRHQM-UHFFFAOYSA-N 0 0 337.423 4.203 50 0 EIAARN Cc1cccc(-c2noc(CNC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000006729962 563583511 /nfs/dbraw/zinc/58/35/11/563583511.db2.gz PJORFWUYYOQUOU-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2cccc(F)c2)cc1)c1ccccc1 ZINC000006829418 563588244 /nfs/dbraw/zinc/58/82/44/563588244.db2.gz UFJQAMVSMPWXNH-UHFFFAOYSA-N 0 0 334.350 4.330 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331.799 4.150 50 0 EIAARN CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000007981248 563623482 /nfs/dbraw/zinc/62/34/82/563623482.db2.gz SOYVTOBFCLFZGN-LJQANCHMSA-N 0 0 342.826 4.087 50 0 EIAARN COc1cc(NC(=O)c2cc(C)cc(C)c2)ccc1NC(=O)C(C)C ZINC000008335523 563627212 /nfs/dbraw/zinc/62/72/12/563627212.db2.gz GUXDWWRRVGYTET-UHFFFAOYSA-N 0 0 340.423 4.159 50 0 EIAARN O=c1[nH]c(C(Cl)=Cc2c[nH]c(-c3ccccc3)n2)nc2ccccc12 ZINC000071922068 563627568 /nfs/dbraw/zinc/62/75/68/563627568.db2.gz JCMKHAGMZUPCEY-XNTDXEJSSA-N 0 0 348.793 4.462 50 0 EIAARN COc1ccccc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000008488249 563631138 /nfs/dbraw/zinc/63/11/38/563631138.db2.gz NPUZIHKAPUOTJU-UHFFFAOYSA-N 0 0 340.810 4.028 50 0 EIAARN CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1OC ZINC000008494746 563631155 /nfs/dbraw/zinc/63/11/55/563631155.db2.gz FGRPUSLANFBQCG-AWEZNQCLSA-N 0 0 349.814 4.153 50 0 EIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([C@H](C)O)c1 ZINC000008714216 563636457 /nfs/dbraw/zinc/63/64/57/563636457.db2.gz 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/nfs/dbraw/zinc/66/26/75/563662675.db2.gz WDVKFTLXWROFNU-UHFFFAOYSA-N 0 0 349.390 4.448 50 0 EIAARN Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H](C(=O)CC(C)C)C1 ZINC000012573730 563663494 /nfs/dbraw/zinc/66/34/94/563663494.db2.gz UKWOLWCTCNNMKG-AWEZNQCLSA-N 0 0 345.414 4.348 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1C ZINC000012630770 563666138 /nfs/dbraw/zinc/66/61/38/563666138.db2.gz ANCVZUUPAYRLIO-UHFFFAOYSA-N 0 0 345.855 4.266 50 0 EIAARN Cc1nc(N2CCCCC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 ZINC000012653575 563667134 /nfs/dbraw/zinc/66/71/34/563667134.db2.gz VOOKKNLXLXLNCU-DOJUMQAQSA-N 0 0 347.462 4.234 50 0 EIAARN CCN(Cc1ccccc1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000012776568 563670470 /nfs/dbraw/zinc/67/04/70/563670470.db2.gz ZBGXAWYNBOWDEP-UHFFFAOYSA-N 0 0 333.435 4.151 50 0 EIAARN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000012795006 563672337 /nfs/dbraw/zinc/67/23/37/563672337.db2.gz WYIPYXHMQMJBBM-AWEZNQCLSA-N 0 0 329.421 4.123 50 0 EIAARN CCCOc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 ZINC000012802287 563673694 /nfs/dbraw/zinc/67/36/94/563673694.db2.gz KZWCFKIFBCQNTP-UHFFFAOYSA-N 0 0 339.420 4.246 50 0 EIAARN Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 ZINC000012937781 563677701 /nfs/dbraw/zinc/67/77/01/563677701.db2.gz LDXJXTAUIIMCSE-UHFFFAOYSA-N 0 0 334.423 4.450 50 0 EIAARN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000012942314 563678335 /nfs/dbraw/zinc/67/83/35/563678335.db2.gz GUOWDPYRQXKBPR-AWEZNQCLSA-N 0 0 339.464 4.236 50 0 EIAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CSC(F)F)o1 ZINC000012979170 563680907 /nfs/dbraw/zinc/68/09/07/563680907.db2.gz ODKMZMWZEJICFE-UHFFFAOYSA-N 0 0 341.423 4.434 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2c(C)cc(C)cc2C)c(C)n1 ZINC000012997840 563683744 /nfs/dbraw/zinc/68/37/44/563683744.db2.gz IXEWWKLKWHQBPK-UHFFFAOYSA-N 0 0 343.496 4.312 50 0 EIAARN O=C(c1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012998558 563684190 /nfs/dbraw/zinc/68/41/90/563684190.db2.gz JUIPISQKHSQKED-CQSZACIVSA-N 0 0 340.423 4.455 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000012999610 563684537 /nfs/dbraw/zinc/68/45/37/563684537.db2.gz LADWCWCMADNCSW-UHFFFAOYSA-N 0 0 328.799 4.028 50 0 EIAARN O=C(Nc1ccc2[nH]c(-c3cccnc3)nc2c1)c1ccccc1F ZINC000013108234 563687651 /nfs/dbraw/zinc/68/76/51/563687651.db2.gz RCXGQDPHZKTBKW-UHFFFAOYSA-N 0 0 332.338 4.016 50 0 EIAARN S=C1N=NC([C@@H]2C[C@H]2c2ccccc2)N1c1ccccc1Cl ZINC000013118936 563688456 /nfs/dbraw/zinc/68/84/56/563688456.db2.gz MXSIORKOPSDDFW-QWHCGFSZSA-N 0 0 327.840 4.481 50 0 EIAARN COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000013124764 563689242 /nfs/dbraw/zinc/68/92/42/563689242.db2.gz BAIZGCLOUWAISR-CVEARBPZSA-N 0 0 340.814 4.086 50 0 EIAARN CCOc1ccc([C@H]2C[C@H](c3cccc(C)c3)n3ncnc3N2)cc1 ZINC000013132343 563690658 /nfs/dbraw/zinc/69/06/58/563690658.db2.gz OKCWYSCYQJCNJK-RTBURBONSA-N 0 0 334.423 4.132 50 0 EIAARN CCc1ccc(OCc2ccc(C(=O)NCc3ccccn3)cc2)cc1 ZINC000013223718 563692676 /nfs/dbraw/zinc/69/26/76/563692676.db2.gz FBNFCYOKZCMQOS-UHFFFAOYSA-N 0 0 346.430 4.153 50 0 EIAARN C[C@H]1CCc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2C1 ZINC000013331300 563696407 /nfs/dbraw/zinc/69/64/07/563696407.db2.gz QQGRBJGTCLRSDW-ZETCQYMHSA-N 0 0 342.798 4.452 50 0 EIAARN CSc1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000013623833 563704385 /nfs/dbraw/zinc/70/43/85/563704385.db2.gz PUVQQAMEQPNYBX-UHFFFAOYSA-N 0 0 328.224 4.066 50 0 EIAARN C[C@@H]1CN(C(=S)c2cccc(Oc3ccccc3)c2)C[C@H](C)O1 ZINC000013714122 563715271 /nfs/dbraw/zinc/71/52/71/563715271.db2.gz LGGSQRDRCNFPEL-GASCZTMLSA-N 0 0 327.449 4.264 50 0 EIAARN CC(C)Oc1ccccc1Oc1ccc2nnc(-c3ccccc3)n2n1 ZINC000013728292 563719197 /nfs/dbraw/zinc/71/91/97/563719197.db2.gz KJFMNWOYUPROKF-UHFFFAOYSA-N 0 0 346.390 4.371 50 0 EIAARN Cc1ccc(C)n1-c1nc2ccc(C(=O)Nc3cccnc3)cc2s1 ZINC000013731401 563719423 /nfs/dbraw/zinc/71/94/23/563719423.db2.gz HTBNFFHFKXCXNP-UHFFFAOYSA-N 0 0 348.431 4.351 50 0 EIAARN Cc1ccccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000013744455 563720301 /nfs/dbraw/zinc/72/03/01/563720301.db2.gz 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/nfs/dbraw/zinc/72/88/56/563728856.db2.gz BSRGMULDLPHIJP-UHFFFAOYSA-N 0 0 328.532 4.450 50 0 EIAARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc2ccccc21 ZINC000032768046 563729572 /nfs/dbraw/zinc/72/95/72/563729572.db2.gz PVRHDGVZFHNTAE-UHFFFAOYSA-N 0 0 335.451 4.490 50 0 EIAARN O=C(N[C@H]1CCc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032769198 563729826 /nfs/dbraw/zinc/72/98/26/563729826.db2.gz JAKQIMWXOKKSEO-FQEVSTJZSA-N 0 0 343.430 4.167 50 0 EIAARN C[C@H](NC(=O)CCn1cnc2ccccc21)c1cccc2ccccc21 ZINC000032768651 563729878 /nfs/dbraw/zinc/72/98/78/563729878.db2.gz OTCKXSHJPGTLGE-INIZCTEOSA-N 0 0 343.430 4.457 50 0 EIAARN Cc1cc2occ(CC(=O)OCC(=O)c3ccc(F)cc3)c2cc1C ZINC000004493659 563733886 /nfs/dbraw/zinc/73/38/86/563733886.db2.gz SUWXHKYQOXYGGE-UHFFFAOYSA-N 0 0 340.350 4.157 50 0 EIAARN Cc1cccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)n1 ZINC000032796313 563737641 /nfs/dbraw/zinc/73/76/41/563737641.db2.gz QWWFBBKQZJYMEI-UHFFFAOYSA-N 0 0 336.366 4.360 50 0 EIAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1C(C)(C)C 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COc1ccc(-c2nnc(CN3CCC[C@H]3c3cccs3)o2)cc1 ZINC000014199159 563749732 /nfs/dbraw/zinc/74/97/32/563749732.db2.gz RLKSFCWWYXCZKJ-HNNXBMFYSA-N 0 0 341.436 4.144 50 0 EIAARN COc1ccc(-c2nnc(CN3CCC[C@@H]3c3cccs3)o2)cc1 ZINC000014199158 563749769 /nfs/dbraw/zinc/74/97/69/563749769.db2.gz RLKSFCWWYXCZKJ-OAHLLOKOSA-N 0 0 341.436 4.144 50 0 EIAARN CCc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC000014200695 563750566 /nfs/dbraw/zinc/75/05/66/563750566.db2.gz FSSQEAZECPMWRR-UHFFFAOYSA-N 0 0 343.473 4.443 50 0 EIAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)cc1 ZINC000014258100 563756408 /nfs/dbraw/zinc/75/64/08/563756408.db2.gz YGFCOCXWYDWUQO-UHFFFAOYSA-N 0 0 346.390 4.137 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CC=C(c4ccccc4)CC3)[nH]n2)cc1 ZINC000014348080 563757995 /nfs/dbraw/zinc/75/79/95/563757995.db2.gz DGNWPLZOHDXNMJ-UHFFFAOYSA-N 0 0 343.430 4.315 50 0 EIAARN O=c1c2sc(-c3ccccc3)cc2ncn1Cc1cccc(F)c1 ZINC000014366082 563758480 /nfs/dbraw/zinc/75/84/80/563758480.db2.gz ABUBXUWRFGUQFS-UHFFFAOYSA-N 0 0 336.391 4.312 50 0 EIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000032837413 563759662 /nfs/dbraw/zinc/75/96/62/563759662.db2.gz RDQZOQFRZMQKAM-AWEZNQCLSA-N 0 0 339.313 4.381 50 0 EIAARN COc1ccc2c(CC(=O)Nc3cccc4cccnc43)coc2c1 ZINC000014516788 563760059 /nfs/dbraw/zinc/76/00/59/563760059.db2.gz KENUYKZNWRZWPI-UHFFFAOYSA-N 0 0 332.359 4.171 50 0 EIAARN Cc1noc2nc(C3CC3)cc(C(=O)NCCC3=CCCCC3)c12 ZINC000014517579 563760132 /nfs/dbraw/zinc/76/01/32/563760132.db2.gz VWKWCCLAOUKVMW-UHFFFAOYSA-N 0 0 325.412 4.029 50 0 EIAARN CCn1nnc2cc(C(=O)Nc3ccccc3-c3cccs3)ccc21 ZINC000014704915 563763315 /nfs/dbraw/zinc/76/33/15/563763315.db2.gz NPJNKVMDWNTYSB-UHFFFAOYSA-N 0 0 348.431 4.432 50 0 EIAARN CC(C)(Nc1ccccc1)c1nnnn1-c1cccc(C(F)(F)F)c1 ZINC000004549512 563764893 /nfs/dbraw/zinc/76/48/93/563764893.db2.gz HHEGRWRNAVVGRV-UHFFFAOYSA-N 0 0 347.344 4.028 50 0 EIAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cccc2c1CCCC2 ZINC000014849274 563765926 /nfs/dbraw/zinc/76/59/26/563765926.db2.gz KFNNIYBLJUBDDI-KRWDZBQOSA-N 0 0 348.446 4.095 50 0 EIAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cccc(C)c3)c12 ZINC000014898314 563766415 /nfs/dbraw/zinc/76/64/15/563766415.db2.gz GOJMDXMUJWTXCU-UHFFFAOYSA-N 0 0 346.390 4.097 50 0 EIAARN CCc1sc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1C ZINC000014891425 563766497 /nfs/dbraw/zinc/76/64/97/563766497.db2.gz RGAHNKGJENKUPE-UHFFFAOYSA-N 0 0 327.405 4.286 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000014899854 563766737 /nfs/dbraw/zinc/76/67/37/563766737.db2.gz RIBAAOVMWBKFPW-CYBMUJFWSA-N 0 0 338.382 4.209 50 0 EIAARN O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000015008620 563771492 /nfs/dbraw/zinc/77/14/92/563771492.db2.gz DTBYZCAHSHMCCC-OQLLNIDSSA-N 0 0 345.807 4.282 50 0 EIAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)c1 ZINC000015016184 563772400 /nfs/dbraw/zinc/77/24/00/563772400.db2.gz AGMJZQSFAMHYAU-QFBILLFUSA-N 0 0 333.416 4.385 50 0 EIAARN Oc1cccc2ccc(/C=C/c3cc4c(cc3Cl)OCO4)nc12 ZINC000015015690 563772417 /nfs/dbraw/zinc/77/24/17/563772417.db2.gz ZOZYGAUGABSNNJ-FNORWQNLSA-N 0 0 325.751 4.493 50 0 EIAARN COc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1C ZINC000015018226 563773554 /nfs/dbraw/zinc/77/35/54/563773554.db2.gz QUCRYDKGFZRQTE-AWEZNQCLSA-N 0 0 346.224 4.045 50 0 EIAARN COCc1ccc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)o1 ZINC000015064309 563774595 /nfs/dbraw/zinc/77/45/95/563774595.db2.gz KUOYJJYMNHKRLA-HNNXBMFYSA-N 0 0 347.842 4.174 50 0 EIAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015539877 563786517 /nfs/dbraw/zinc/78/65/17/563786517.db2.gz CKWHVCRSKLIIJU-MRXNPFEDSA-N 0 0 340.423 4.342 50 0 EIAARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1F ZINC000015583734 563787625 /nfs/dbraw/zinc/78/76/25/563787625.db2.gz XRHGJZZAPDAEHS-NSHDSACASA-N 0 0 332.806 4.407 50 0 EIAARN CCc1ccccc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O ZINC000015604644 563788430 /nfs/dbraw/zinc/78/84/30/563788430.db2.gz ZBHQEZUZENIXDB-UHFFFAOYSA-N 0 0 342.826 4.282 50 0 EIAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCc2ccccc2C1 ZINC000015627449 563788701 /nfs/dbraw/zinc/78/87/01/563788701.db2.gz RTAKCHWDJALOQA-UHFFFAOYSA-N 0 0 340.473 4.379 50 0 EIAARN O=C(/C=C/c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000015615910 563788756 /nfs/dbraw/zinc/78/87/56/563788756.db2.gz DGKLKAGTEPRNHW-MDZDMXLPSA-N 0 0 347.443 4.150 50 0 EIAARN Cc1sc(CC(=O)NCc2ccco2)nc1-c1ccc(C)c(C)c1 ZINC000032903002 563790011 /nfs/dbraw/zinc/79/00/11/563790011.db2.gz CBRHGFHRZWIFHN-UHFFFAOYSA-N 0 0 340.448 4.187 50 0 EIAARN Cc1nc(CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)cs1 ZINC000015832312 563793435 /nfs/dbraw/zinc/79/34/35/563793435.db2.gz VWQOFQZHRUMNDJ-UHFFFAOYSA-N 0 0 334.828 4.398 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1SCC(F)(F)F ZINC000032907863 563800057 /nfs/dbraw/zinc/80/00/57/563800057.db2.gz ABPZNVXLNUGNID-ZYHUDNBSSA-N 0 0 332.391 4.045 50 0 EIAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH]2)c(C)c1C ZINC000032911887 563804346 /nfs/dbraw/zinc/80/43/46/563804346.db2.gz GVFQGMQYSOCWLB-GOSISDBHSA-N 0 0 346.496 4.083 50 0 EIAARN COc1cccc(-c2noc(Nc3ccc(C)c(C)c3)n2)c1OC ZINC000071928103 563805547 /nfs/dbraw/zinc/80/55/47/563805547.db2.gz DSCDTYUGBSRETR-UHFFFAOYSA-N 0 0 325.368 4.114 50 0 EIAARN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 ZINC000032914215 563811182 /nfs/dbraw/zinc/81/11/82/563811182.db2.gz QESPPESNOULDFD-CXAGYDPISA-N 0 0 345.402 4.082 50 0 EIAARN CCc1ccc(S(=O)(=O)N[C@H](c2cccs2)C(C)(C)C)cc1 ZINC000032916390 563814892 /nfs/dbraw/zinc/81/48/92/563814892.db2.gz YCILHOVAIXMTRV-MRXNPFEDSA-N 0 0 337.510 4.376 50 0 EIAARN Cc1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)no1 ZINC000016602604 563815835 /nfs/dbraw/zinc/81/58/35/563815835.db2.gz MYDKEPSSSHXSAQ-UHFFFAOYSA-N 0 0 327.409 4.284 50 0 EIAARN CCCc1sc(C(=O)Nc2ccccn2)cc1Br ZINC000016603116 563816298 /nfs/dbraw/zinc/81/62/98/563816298.db2.gz LZCWYEMYNIKUJH-UHFFFAOYSA-N 0 0 325.231 4.110 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)nc1 ZINC000016605501 563817058 /nfs/dbraw/zinc/81/70/58/563817058.db2.gz ORDUBTFRJHUXLP-SNVBAGLBSA-N 0 0 325.195 4.103 50 0 EIAARN CCc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cs1 ZINC000016605768 563817372 /nfs/dbraw/zinc/81/73/72/563817372.db2.gz NIOKBNYXFIDJQP-UHFFFAOYSA-N 0 0 342.464 4.189 50 0 EIAARN CC(C)c1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccccc1 ZINC000016626277 563818132 /nfs/dbraw/zinc/81/81/32/563818132.db2.gz GVXYYXWIEAPORL-UHFFFAOYSA-N 0 0 340.814 4.296 50 0 EIAARN O=C(Nc1nccs1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000016641248 563818566 /nfs/dbraw/zinc/81/85/66/563818566.db2.gz NJZFOKGHWPAPDT-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN Cc1ccc(C(C)C)c(Oc2nc3c(C)cccn3c(=O)c2C=O)c1 ZINC000016741263 563822215 /nfs/dbraw/zinc/82/22/15/563822215.db2.gz BLUPOKQJKWQBEC-UHFFFAOYSA-N 0 0 336.391 4.040 50 0 EIAARN O[C@H](COc1ccccc1Cl)Cn1c2ccccc2nc1C1CC1 ZINC000016903137 563825303 /nfs/dbraw/zinc/82/53/03/563825303.db2.gz BETAEDPCXMNEQH-AWEZNQCLSA-N 0 0 342.826 4.007 50 0 EIAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)OCC(C)C ZINC000032923911 563825330 /nfs/dbraw/zinc/82/53/30/563825330.db2.gz KFKHOIHLFRYTER-LBPRGKRZSA-N 0 0 347.377 4.494 50 0 EIAARN O=C(CCCc1nnc(-c2ccccc2)o1)NCCC1CCCCC1 ZINC000032924619 563827247 /nfs/dbraw/zinc/82/72/47/563827247.db2.gz SYIQYAKDKAOEPL-UHFFFAOYSA-N 0 0 341.455 4.146 50 0 EIAARN COc1ccccc1-c1nn(C)c(-c2ccccc2OC)c1Cl ZINC000017067394 563831653 /nfs/dbraw/zinc/83/16/53/563831653.db2.gz HKJMLBNHEAYWFM-UHFFFAOYSA-N 0 0 328.799 4.425 50 0 EIAARN COC(=O)c1c(C)c(C)sc1NC(=S)Nc1cccc(F)c1 ZINC000017071004 563834028 /nfs/dbraw/zinc/83/40/28/563834028.db2.gz UOBXJYBBKSMVOI-UHFFFAOYSA-N 0 0 338.429 4.100 50 0 EIAARN Cc1sc2nc3sc(CCC4CCCCC4)nn3c(=O)c2c1C ZINC000017072300 563835639 /nfs/dbraw/zinc/83/56/39/563835639.db2.gz DMHFCZBXHHIHNN-UHFFFAOYSA-N 0 0 347.509 4.495 50 0 EIAARN CC(C)CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000017129021 563837676 /nfs/dbraw/zinc/83/76/76/563837676.db2.gz IELUTQSIKZIDKD-UHFFFAOYSA-N 0 0 338.329 4.279 50 0 EIAARN CC(C)c1ccc(/C=C\[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000017150149 563838824 /nfs/dbraw/zinc/83/88/24/563838824.db2.gz PZKRHDFROJTOHK-OILJVOJPSA-N 0 0 346.474 4.447 50 0 EIAARN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccsc1 ZINC000359992098 563839902 /nfs/dbraw/zinc/83/99/02/563839902.db2.gz KTNGTUIYCAUYDY-QHCPKHFHSA-N 0 0 341.457 4.308 50 0 EIAARN COc1cccc(/C=C2/C=C(c3ccc(C)c(C)c3)OC2=O)c1OC ZINC000000320128 563840608 /nfs/dbraw/zinc/84/06/08/563840608.db2.gz TZWDMIBHYKMQRV-BOPFTXTBSA-N 0 0 336.387 4.302 50 0 EIAARN C[C@@H](NC(=O)Cc1ccccc1Cl)c1cccc(OC(F)F)c1 ZINC000032930434 563841013 /nfs/dbraw/zinc/84/10/13/563841013.db2.gz DARJLVXBGPCKCG-LLVKDONJSA-N 0 0 339.769 4.361 50 0 EIAARN N#CC(C#N)=C1c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000000565388 563845143 /nfs/dbraw/zinc/84/51/43/563845143.db2.gz BJRGOLVRSIBFJZ-UHFFFAOYSA-N 0 0 335.366 4.187 50 0 EIAARN Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)cc1 ZINC000018045161 563847485 /nfs/dbraw/zinc/84/74/85/563847485.db2.gz QXINESDBWLTSFM-XPGWFJOJSA-N 0 0 347.414 4.489 50 0 EIAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000018175844 563850360 /nfs/dbraw/zinc/85/03/60/563850360.db2.gz VYZKLZFQJKQBLM-QGZVFWFLSA-N 0 0 332.350 4.342 50 0 EIAARN COc1cccc(NCc2cn(C)nc2-c2cc3ccccc3o2)c1 ZINC000072032385 563860608 /nfs/dbraw/zinc/86/06/08/563860608.db2.gz OAJJKVVKLAPVAD-UHFFFAOYSA-N 0 0 333.391 4.454 50 0 EIAARN CC[C@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000006120971 563861260 /nfs/dbraw/zinc/86/12/60/563861260.db2.gz AZUYEPLGNXSTQM-ZDUSSCGKSA-N 0 0 348.402 4.159 50 0 EIAARN Cc1ccc(C)c(C(=O)c2sc(Nc3ccc(F)cc3)nc2N)c1 ZINC000032947892 563864683 /nfs/dbraw/zinc/86/46/83/563864683.db2.gz ALGUJISHQJRJNX-UHFFFAOYSA-N 0 0 341.411 4.456 50 0 EIAARN CC[C@@H]1CN(c2ncnc3scc(-c4ccc(F)cc4)c32)CCO1 ZINC000023888100 563867592 /nfs/dbraw/zinc/86/75/92/563867592.db2.gz RLHMJMPXSVTVLH-CQSZACIVSA-N 0 0 343.427 4.113 50 0 EIAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc2ccccc2c1 ZINC000024045194 563868739 /nfs/dbraw/zinc/86/87/39/563868739.db2.gz LGNZPQNHQNRPRD-OAHLLOKOSA-N 0 0 343.430 4.269 50 0 EIAARN CN1c2ccccc2C(=O)N[C@H]1c1ccccc1OCc1ccccc1 ZINC000024098522 563869316 /nfs/dbraw/zinc/86/93/16/563869316.db2.gz NISUOLAUDSNAAX-OAQYLSRUSA-N 0 0 344.414 4.144 50 0 EIAARN CCOCc1cc(C(=O)Nc2cccc3ncccc32)ccc1OC ZINC000024274985 563870190 /nfs/dbraw/zinc/87/01/90/563870190.db2.gz HRSZHTFWPVBKIK-UHFFFAOYSA-N 0 0 336.391 4.032 50 0 EIAARN COc1ccc2cc([C@H](C)C(=O)NCc3cccs3)ccc2c1 ZINC000024580435 563872872 /nfs/dbraw/zinc/87/28/72/563872872.db2.gz AERRSTOEGZOHQN-ZDUSSCGKSA-N 0 0 325.433 4.330 50 0 EIAARN COc1ccccc1CC(=O)N(Cc1ccco1)c1ccc(C)cc1 ZINC000024636838 563873472 /nfs/dbraw/zinc/87/34/72/563873472.db2.gz NYOBIWNYAXUHOG-UHFFFAOYSA-N 0 0 335.403 4.373 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(-c2nnco2)c1 ZINC000024744015 563874763 /nfs/dbraw/zinc/87/47/63/563874763.db2.gz NFEPWBOMUDDMAR-UHFFFAOYSA-N 0 0 346.390 4.179 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c(C)c1 ZINC000024751159 563875123 /nfs/dbraw/zinc/87/51/23/563875123.db2.gz YMTLYAMUOXKYJH-UHFFFAOYSA-N 0 0 341.476 4.090 50 0 EIAARN COc1cccc2sc(NC(=O)c3ccc(-n4cccc4)cc3)nc21 ZINC000024762048 563875480 /nfs/dbraw/zinc/87/54/80/563875480.db2.gz QSEXIYTYGMUTJE-UHFFFAOYSA-N 0 0 349.415 4.348 50 0 EIAARN C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1ccccc1 ZINC000024959003 563878150 /nfs/dbraw/zinc/87/81/50/563878150.db2.gz IDFVFCJWQBFWFK-GFCCVEGCSA-N 0 0 325.799 4.221 50 0 EIAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccsc1 ZINC000024968942 563878538 /nfs/dbraw/zinc/87/85/38/563878538.db2.gz RQHQOLPAYSPZGH-SFHVURJKSA-N 0 0 333.416 4.144 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000024987448 563879091 /nfs/dbraw/zinc/87/90/91/563879091.db2.gz OXKHFJXCCPQAIR-OKILXGFUSA-N 0 0 346.858 4.432 50 0 EIAARN Cc1cc(C)n(-c2ccccc2NC(=O)Cc2c[nH]c3ccccc23)n1 ZINC000025015089 563879980 /nfs/dbraw/zinc/87/99/80/563879980.db2.gz UXMYUTIEEVQGNT-UHFFFAOYSA-N 0 0 344.418 4.152 50 0 EIAARN Cc1cc2cc(NC(=O)c3cccc(NC(=O)[C@H]4C[C@H]4C)c3)ccc2[nH]1 ZINC000025129483 563881387 /nfs/dbraw/zinc/88/13/87/563881387.db2.gz YJZQDEQZESLUFT-XIKOKIGWSA-N 0 0 347.418 4.323 50 0 EIAARN CCCc1cc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)sc1C ZINC000025155732 563881475 /nfs/dbraw/zinc/88/14/75/563881475.db2.gz WSEDLGPHLKJLKE-UHFFFAOYSA-N 0 0 326.425 4.046 50 0 EIAARN CSc1ccccc1NC(=O)Cn1cnc2cc(C)c(C)cc21 ZINC000025218886 563882264 /nfs/dbraw/zinc/88/22/64/563882264.db2.gz IURHQNHEMZKEQK-UHFFFAOYSA-N 0 0 325.437 4.014 50 0 EIAARN CCCc1sc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1CC ZINC000025326143 563883201 /nfs/dbraw/zinc/88/32/01/563883201.db2.gz VERQOXYVULISIL-UHFFFAOYSA-N 0 0 344.480 4.217 50 0 EIAARN O=C(CCNc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC000025539924 563885809 /nfs/dbraw/zinc/88/58/09/563885809.db2.gz WQMUHXZCEHRRGZ-UHFFFAOYSA-N 0 0 333.231 4.206 50 0 EIAARN CC(C)CC(=O)Nc1ccc(Nc2ncnc3sccc32)cc1 ZINC000025523464 563885821 /nfs/dbraw/zinc/88/58/21/563885821.db2.gz IAVUAJRZTUNZBQ-UHFFFAOYSA-N 0 0 326.425 4.420 50 0 EIAARN CC(C)N(Cc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000025820724 563888632 /nfs/dbraw/zinc/88/86/32/563888632.db2.gz IQHIYQMHJSQCGA-UHFFFAOYSA-N 0 0 347.418 4.492 50 0 EIAARN O=C(COc1ccccc1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000025929446 563889250 /nfs/dbraw/zinc/88/92/50/563889250.db2.gz RKDRJKVUVNRXEF-UHFFFAOYSA-N 0 0 334.375 4.237 50 0 EIAARN CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2ccccc2C)c1 ZINC000026379271 563891542 /nfs/dbraw/zinc/89/15/42/563891542.db2.gz WKZUOJZEVLTDAD-LSDHHAIUSA-N 0 0 339.439 4.075 50 0 EIAARN Brc1ccc(NCc2nccn2Cc2ccccc2)cc1 ZINC000026904350 563893981 /nfs/dbraw/zinc/89/39/81/563893981.db2.gz IVDNYUOULVXAHO-UHFFFAOYSA-N 0 0 342.240 4.306 50 0 EIAARN Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000026978369 563894085 /nfs/dbraw/zinc/89/40/85/563894085.db2.gz ORRHVRBJDUOZKN-YJYMSZOUSA-N 0 0 342.439 4.179 50 0 EIAARN C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccncc1 ZINC000027403819 563895588 /nfs/dbraw/zinc/89/55/88/563895588.db2.gz RJBMWWGUHWNSAQ-INIZCTEOSA-N 0 0 332.403 4.152 50 0 EIAARN Cc1nc(COc2cccc(C(=O)N(C)c3ccccc3)c2)cs1 ZINC000027445736 563895783 /nfs/dbraw/zinc/89/57/83/563895783.db2.gz UQQJDZQZNIMJBY-UHFFFAOYSA-N 0 0 338.432 4.307 50 0 EIAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1F ZINC000027583774 563897154 /nfs/dbraw/zinc/89/71/54/563897154.db2.gz QRHYONXGROQRHJ-SFHVURJKSA-N 0 0 346.833 4.046 50 0 EIAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)cc1 ZINC000027583805 563897471 /nfs/dbraw/zinc/89/74/71/563897471.db2.gz DDAXKOHVPYIWMP-SFHVURJKSA-N 0 0 346.833 4.046 50 0 EIAARN O=C(COC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)CCC2 ZINC000032954364 563897675 /nfs/dbraw/zinc/89/76/75/563897675.db2.gz XDTIORTUJWENHT-UHFFFAOYSA-N 0 0 348.442 4.413 50 0 EIAARN CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(-c2ccccc2)no1 ZINC000027677062 563898832 /nfs/dbraw/zinc/89/88/32/563898832.db2.gz FSRHSGLRLFSDPH-UHFFFAOYSA-N 0 0 344.418 4.159 50 0 EIAARN CC[C@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000027680326 563898875 /nfs/dbraw/zinc/89/88/75/563898875.db2.gz GBMBIDADYYCRLI-JXFKEZNVSA-N 0 0 333.435 4.243 50 0 EIAARN Brc1ccccc1OCc1nnc(-c2cccs2)o1 ZINC000027672685 563898878 /nfs/dbraw/zinc/89/88/78/563898878.db2.gz PXJVEKFZLRJMKS-UHFFFAOYSA-N 0 0 337.198 4.140 50 0 EIAARN CCOc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1C ZINC000027746691 563899354 /nfs/dbraw/zinc/89/93/54/563899354.db2.gz CAGLRALEOUQCBO-UHFFFAOYSA-N 0 0 337.379 4.004 50 0 EIAARN Cc1cc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2C2CCCC2)no1 ZINC000027940732 563900430 /nfs/dbraw/zinc/90/04/30/563900430.db2.gz RVWJRURMDGDARJ-CYBMUJFWSA-N 0 0 348.472 4.031 50 0 EIAARN Cc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000027987709 563900643 /nfs/dbraw/zinc/90/06/43/563900643.db2.gz UAQGMSJKGBLDAI-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN O=C(COc1ccccc1Cl)Nc1cc(-c2ccc(F)cc2)no1 ZINC000027990654 563900912 /nfs/dbraw/zinc/90/09/12/563900912.db2.gz FNCFRQCZXOZSEU-UHFFFAOYSA-N 0 0 346.745 4.152 50 0 EIAARN Cc1ccc(-n2ccnc2SCc2noc(C(C)(C)C)n2)cc1C ZINC000028013415 563901126 /nfs/dbraw/zinc/90/11/26/563901126.db2.gz ILYODYOCRUHCSP-UHFFFAOYSA-N 0 0 342.468 4.462 50 0 EIAARN CCC(CC)NC(=O)Cn1c2ccccc2nc1SCC(C)C ZINC000032957729 563901386 /nfs/dbraw/zinc/90/13/86/563901386.db2.gz GMCRWZYSTUYSEU-UHFFFAOYSA-N 0 0 333.501 4.089 50 0 EIAARN CCCCCOc1ccc(S(=O)(=O)N(CC)CC)c2ccccc12 ZINC000028251858 563901870 /nfs/dbraw/zinc/90/18/70/563901870.db2.gz HBEYWYIHJKKHFM-UHFFFAOYSA-N 0 0 349.496 4.439 50 0 EIAARN O=C(OCc1c(F)cccc1Cl)c1cnn(Cc2ccccc2)c1 ZINC000028578266 563903291 /nfs/dbraw/zinc/90/32/91/563903291.db2.gz YENQUWXFXJDAJF-UHFFFAOYSA-N 0 0 344.773 4.081 50 0 EIAARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1 ZINC000028909433 563904473 /nfs/dbraw/zinc/90/44/73/563904473.db2.gz GVUFHWWYNFLXQP-LLVKDONJSA-N 0 0 341.436 4.052 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)COc2cc(C)ccc2C(C)C)no1 ZINC000029234500 563905235 /nfs/dbraw/zinc/90/52/35/563905235.db2.gz ANQLPBCGGGDNJY-SFHVURJKSA-N 0 0 342.439 4.157 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1cccc(Cl)c1Cl ZINC000000260828 563905923 /nfs/dbraw/zinc/90/59/23/563905923.db2.gz JDKXHJUZKLLDSA-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN Cc1nc(NC(=O)COc2ccc(Cl)cc2Cl)sc1C ZINC000000476267 563905943 /nfs/dbraw/zinc/90/59/43/563905943.db2.gz GUNKVYBKAKQKGU-UHFFFAOYSA-N 0 0 331.224 4.084 50 0 EIAARN Cc1nc(CCNC(=O)c2cc3c(s2)CCCCCC3)cs1 ZINC000029498843 563907035 /nfs/dbraw/zinc/90/70/35/563907035.db2.gz HXTPKBBESDKJCO-UHFFFAOYSA-N 0 0 334.510 4.145 50 0 EIAARN C[C@@H]1CCCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C1 ZINC000029509792 563907067 /nfs/dbraw/zinc/90/70/67/563907067.db2.gz IKRBDGXMXFLLST-CYBMUJFWSA-N 0 0 346.521 4.200 50 0 EIAARN C[C@H](COCc1ccccc1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072285824 563907205 /nfs/dbraw/zinc/90/72/05/563907205.db2.gz CMCLYCLMFXIHLM-NVXWUHKLSA-N 0 0 344.480 4.050 50 0 EIAARN COCCn1ccc2c1cccc2NC(=O)c1ccc2ccn(C)c2c1 ZINC000070666659 563907416 /nfs/dbraw/zinc/90/74/16/563907416.db2.gz CLDAMWXZUYPJNF-UHFFFAOYSA-N 0 0 347.418 4.032 50 0 biogenic EIAARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1cccs1 ZINC000072289082 563908656 /nfs/dbraw/zinc/90/86/56/563908656.db2.gz FWNJZLGOTPIYPG-OAHLLOKOSA-N 0 0 336.432 4.111 50 0 EIAARN Cc1noc(C)c1C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000072291398 563908993 /nfs/dbraw/zinc/90/89/93/563908993.db2.gz MBPVIHKMDUMDBG-UHFFFAOYSA-N 0 0 330.331 4.040 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC)nc1 ZINC000030009476 563909204 /nfs/dbraw/zinc/90/92/04/563909204.db2.gz WTGQQUJPJDAJHU-UONOGXRCSA-N 0 0 327.428 4.043 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000030011838 563909281 /nfs/dbraw/zinc/90/92/81/563909281.db2.gz NSLBGVINWAAEQB-LBPRGKRZSA-N 0 0 337.810 4.322 50 0 EIAARN CCc1cccc2c(-c3csc(CCN4CCCC4=O)n3)c[nH]c21 ZINC000030447773 563909791 /nfs/dbraw/zinc/90/97/91/563909791.db2.gz UDJVVQKSOJJKPV-UHFFFAOYSA-N 0 0 339.464 4.019 50 0 EIAARN Cn1ccnc1[C@@H](NCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000030644266 563910144 /nfs/dbraw/zinc/91/01/44/563910144.db2.gz VEIULOMNZIVWCQ-KRWDZBQOSA-N 0 0 329.806 4.092 50 0 EIAARN Cc1cccc(-c2nc3cc(NC(=O)c4ccccn4)ccc3o2)c1 ZINC000030822850 563910820 /nfs/dbraw/zinc/91/08/20/563910820.db2.gz SGKHIKFUKZGYTG-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN CC(C)c1csc([C@@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)n1 ZINC000072297281 563912600 /nfs/dbraw/zinc/91/26/00/563912600.db2.gz LBFGESGFAQJYJS-CYBMUJFWSA-N 0 0 347.484 4.398 50 0 EIAARN CCCCCNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000072302624 563914234 /nfs/dbraw/zinc/91/42/34/563914234.db2.gz JRTBFUIVSRCCLU-RDJZCZTQSA-N 0 0 348.487 4.195 50 0 EIAARN CN(Cc1cccc(Cl)c1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000072302693 563914267 /nfs/dbraw/zinc/91/42/67/563914267.db2.gz ANMMBZRKODEVEO-HXUWFJFHSA-N 0 0 327.855 4.494 50 0 EIAARN CCC(CC)C(=O)Nc1ccc(OC)c(NC(=O)c2ccccc2)c1 ZINC000032998423 563914576 /nfs/dbraw/zinc/91/45/76/563914576.db2.gz RLCDXUQVSLLYLS-UHFFFAOYSA-N 0 0 340.423 4.322 50 0 EIAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(CC)cc1 ZINC000033087340 563915183 /nfs/dbraw/zinc/91/51/83/563915183.db2.gz RNAPWNPPRWSDNJ-MRXNPFEDSA-N 0 0 327.428 4.477 50 0 EIAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1CC ZINC000033270638 563915604 /nfs/dbraw/zinc/91/56/04/563915604.db2.gz KLTDGZOKFZVNRV-INIZCTEOSA-N 0 0 327.428 4.477 50 0 EIAARN Cc1coc(-c2cccc(NC(=O)N[C@H]3CCOc4ccccc43)c2)n1 ZINC000177422843 563916133 /nfs/dbraw/zinc/91/61/33/563916133.db2.gz MAPFVUZCZQVSBJ-KRWDZBQOSA-N 0 0 349.390 4.295 50 0 EIAARN Fc1ccc(-c2c[nH]c(C3CCN(CC(F)(F)F)CC3)n2)cc1F ZINC000072308283 563916278 /nfs/dbraw/zinc/91/62/78/563916278.db2.gz YCBOBXJZBMKECU-UHFFFAOYSA-N 0 0 345.315 4.097 50 0 EIAARN CCC(=O)Nc1nc2ccc(NC(=O)C3CCCCC3)cc2s1 ZINC000032961159 563916645 /nfs/dbraw/zinc/91/66/45/563916645.db2.gz MCKUQOYFXSPETE-UHFFFAOYSA-N 0 0 331.441 4.164 50 0 EIAARN CC(=O)Nc1nc2c(cc(NC(=O)c3ccc(C)cc3)cc2C)s1 ZINC000032961345 563916764 /nfs/dbraw/zinc/91/67/64/563916764.db2.gz ISNIMEQTTOAZNZ-UHFFFAOYSA-N 0 0 339.420 4.124 50 0 EIAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=S)N(c1nc3ccccc3s1)N2 ZINC000000197217 563917040 /nfs/dbraw/zinc/91/70/40/563917040.db2.gz XYQIHLDLNHFALM-APPDUMDISA-N 0 0 346.525 4.038 50 0 EIAARN COc1ccc(C)cc1NC(=O)CCCOc1cc(C)ccc1C ZINC000001779259 563917924 /nfs/dbraw/zinc/91/79/24/563917924.db2.gz VNQCPKRGGSRFQV-UHFFFAOYSA-N 0 0 327.424 4.418 50 0 EIAARN Oc1ccccc1-c1nc(Cc2ccccc2)nn1-c1ccccc1 ZINC000005060724 563919141 /nfs/dbraw/zinc/91/91/41/563919141.db2.gz FCTVNGXDSIQPGG-UHFFFAOYSA-N 0 0 327.387 4.231 50 0 EIAARN CC[C@@H](C)Nc1ncnc2sc([C@H]3COc4ccccc4O3)cc21 ZINC000006489063 563919266 /nfs/dbraw/zinc/91/92/66/563919266.db2.gz GBMPWKUUQPHOGO-IAQYHMDHSA-N 0 0 341.436 4.414 50 0 EIAARN Cc1nn(C)c(C)c1/C=C/C(=O)Oc1ccccc1Cc1ccccc1 ZINC000071794662 563921692 /nfs/dbraw/zinc/92/16/92/563921692.db2.gz ZGIQBUCGBBFZKL-BUHFOSPRSA-N 0 0 346.430 4.247 50 0 EIAARN O=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1cccc(F)c1 ZINC000097938568 563922922 /nfs/dbraw/zinc/92/29/22/563922922.db2.gz YFACHBPTGLMSAP-UHFFFAOYSA-N 0 0 327.746 4.188 50 0 EIAARN Cc1ccsc1C(=O)Nc1cnc(-c2cccc(Cl)c2)nc1 ZINC000097938583 563923038 /nfs/dbraw/zinc/92/30/38/563923038.db2.gz OUDKADDREAXIBV-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN COc1ccc(C(=O)Nc2cnc(-c3cccc(Cl)c3)nc2)cc1 ZINC000097938612 563923048 /nfs/dbraw/zinc/92/30/48/563923048.db2.gz KQRQBFDXWXOZIX-UHFFFAOYSA-N 0 0 339.782 4.058 50 0 EIAARN O=C(c1ccc(C2OCCO2)s1)c1cc(Cl)ccc1Cl ZINC000043210439 563925257 /nfs/dbraw/zinc/92/52/57/563925257.db2.gz PXXYKDPLRRCPBJ-UHFFFAOYSA-N 0 0 329.204 4.331 50 0 EIAARN CCc1noc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)n1 ZINC000033012818 563925634 /nfs/dbraw/zinc/92/56/34/563925634.db2.gz KSORBQFPIAYGIO-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN Oc1ccc(-c2ccc(O)c(Br)c2)cc1Br ZINC000044069505 563926054 /nfs/dbraw/zinc/92/60/54/563926054.db2.gz RJGXLSPAKXWJGN-UHFFFAOYSA-N 0 0 344.002 4.290 50 0 EIAARN Cn1c(CCc2ccccc2NC(=O)c2ccco2)nc2ccccc21 ZINC000033019801 563928793 /nfs/dbraw/zinc/92/87/93/563928793.db2.gz PHUWGRZFORGWTJ-UHFFFAOYSA-N 0 0 345.402 4.204 50 0 EIAARN CCn1cc(NC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cn1 ZINC000043645538 563932921 /nfs/dbraw/zinc/93/29/21/563932921.db2.gz MSNIPKPJIKLPFH-GOSISDBHSA-N 0 0 342.443 4.061 50 0 EIAARN O=c1oc2ccccc2cc1-c1nnc(-c2ccc3ncccc3c2)o1 ZINC000072332492 563936194 /nfs/dbraw/zinc/93/61/94/563936194.db2.gz HINWPYFUPJOCCF-UHFFFAOYSA-N 0 0 341.326 4.058 50 0 EIAARN Cc1cccc(C(=O)OCc2ccc(OCc3ccccn3)cc2)c1O ZINC000058004266 563936369 /nfs/dbraw/zinc/93/63/69/563936369.db2.gz NFXAPVBNOXTZLV-UHFFFAOYSA-N 0 0 349.386 4.032 50 0 EIAARN O=[S@](Cc1coc(-c2cccc(F)c2)n1)Cc1cccc(F)c1 ZINC000058045747 563936955 /nfs/dbraw/zinc/93/69/55/563936955.db2.gz AHEOISCGPOTQHI-HSZRJFAPSA-N 0 0 333.359 4.069 50 0 EIAARN O=C(NCc1ccccn1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000058054952 563937100 /nfs/dbraw/zinc/93/71/00/563937100.db2.gz VXNCTWLOSSTVRV-IBGZPJMESA-N 0 0 349.459 4.000 50 0 EIAARN CCN(C[C@@H]1CCOC1)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000058153143 563937913 /nfs/dbraw/zinc/93/79/13/563937913.db2.gz DCMDHHAIYYZFAG-FUHWJXTLSA-N 0 0 332.488 4.232 50 0 EIAARN C[C@H](NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1ccccn1 ZINC000058202488 563939744 /nfs/dbraw/zinc/93/97/44/563939744.db2.gz KLRGXHIOKMRJJV-HNNXBMFYSA-N 0 0 348.450 4.213 50 0 EIAARN O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(-c2ccco2)on1 ZINC000058208610 563939820 /nfs/dbraw/zinc/93/98/20/563939820.db2.gz HPKKRCCILCWLJV-UHFFFAOYSA-N 0 0 347.302 4.075 50 0 EIAARN C[C@@H](CC(=O)N1CCC[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000058222753 563940326 /nfs/dbraw/zinc/94/03/26/563940326.db2.gz YLWREEXYJAYJAH-LIRRHRJNSA-N 0 0 327.399 4.389 50 0 EIAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(-c2ccco2)on1 ZINC000058334291 563942892 /nfs/dbraw/zinc/94/28/92/563942892.db2.gz JEUVHAWPSKGJDZ-CQSZACIVSA-N 0 0 340.379 4.280 50 0 EIAARN Nc1nnc(SCc2ccc(OCc3ccc(F)cc3)cc2)s1 ZINC000058344314 563943236 /nfs/dbraw/zinc/94/32/36/563943236.db2.gz BWNMYLTZVYRJJS-UHFFFAOYSA-N 0 0 347.440 4.131 50 0 EIAARN CC(=O)c1cc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)n(C)c1 ZINC000058358162 563943686 /nfs/dbraw/zinc/94/36/86/563943686.db2.gz GQOZXNWPKNQIGB-UHFFFAOYSA-N 0 0 348.402 4.297 50 0 EIAARN O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(-c2ccccc2)cc1 ZINC000058378147 563944254 /nfs/dbraw/zinc/94/42/54/563944254.db2.gz PULOJXVAVZFVAQ-HXUWFJFHSA-N 0 0 344.414 4.479 50 0 EIAARN O=C1N[C@H](c2csc(-c3ccsc3)n2)Nc2cc(Cl)ccc21 ZINC000058377940 563944289 /nfs/dbraw/zinc/94/42/89/563944289.db2.gz YOZRWTZELUTXFH-CYBMUJFWSA-N 0 0 347.852 4.379 50 0 EIAARN CCC[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000058407299 563945238 /nfs/dbraw/zinc/94/52/38/563945238.db2.gz PYGDTLKNOLLSDL-CQSZACIVSA-N 0 0 347.484 4.160 50 0 EIAARN Cc1oc(C)c(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)c1C ZINC000058415692 563945437 /nfs/dbraw/zinc/94/54/37/563945437.db2.gz OZWSMQSOADPGDS-UHFFFAOYSA-N 0 0 338.407 4.141 50 0 EIAARN O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000058427562 563946136 /nfs/dbraw/zinc/94/61/36/563946136.db2.gz CAAFPJWAWHRRBU-IBGZPJMESA-N 0 0 347.393 4.260 50 0 EIAARN COc1ccc(N(C)C(=O)c2ccc(-c3ccccc3F)s2)cn1 ZINC000058426524 563946148 /nfs/dbraw/zinc/94/61/48/563946148.db2.gz BLEHHWDQGNEFRL-UHFFFAOYSA-N 0 0 342.395 4.234 50 0 EIAARN C(=C/c1ccccc1)\CSc1nncn1CCc1cccs1 ZINC000058474112 563946702 /nfs/dbraw/zinc/94/67/02/563946702.db2.gz OLBJMWVJPJLFOS-XBXARRHUSA-N 0 0 327.478 4.388 50 0 EIAARN COc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1OC(F)F ZINC000058598282 563946831 /nfs/dbraw/zinc/94/68/31/563946831.db2.gz MNWYKZBXCLKWTO-OAHLLOKOSA-N 0 0 347.361 4.056 50 0 EIAARN CO[C@H]1CCN(c2ccc(NC(=O)c3c(C)cc(C)cc3C)cc2)C1 ZINC000096381234 563946879 /nfs/dbraw/zinc/94/68/79/563946879.db2.gz PVVWOCSIIHURJZ-IBGZPJMESA-N 0 0 338.451 4.089 50 0 EIAARN C[C@@H](c1nc(C2CC2)no1)N(C)Cc1ccccc1C(F)(F)F ZINC000059402469 563948915 /nfs/dbraw/zinc/94/89/15/563948915.db2.gz HXLBYJKPOIMDQV-JTQLQIEISA-N 0 0 325.334 4.159 50 0 EIAARN CC(C)(C)[C@H](NC(=O)Nc1cn[nH]c1)c1cccc(C(F)(F)F)c1 ZINC000060374487 563949755 /nfs/dbraw/zinc/94/97/55/563949755.db2.gz NQNUJHNFLZSXJZ-CYBMUJFWSA-N 0 0 340.349 4.337 50 0 EIAARN Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1C ZINC000060141351 563949763 /nfs/dbraw/zinc/94/97/63/563949763.db2.gz LWEPJUBGUPWONF-MRXNPFEDSA-N 0 0 332.444 4.032 50 0 EIAARN O=C(Nc1cccc2c1ccn2Cc1ccccc1)c1ccncc1 ZINC000061721147 563950976 /nfs/dbraw/zinc/95/09/76/563950976.db2.gz MAEIQBOMHDURCB-UHFFFAOYSA-N 0 0 327.387 4.337 50 0 EIAARN CCOc1ccc(NC(=O)CN2C[C@@H](C)Sc3ccccc32)cc1 ZINC000033059205 563951620 /nfs/dbraw/zinc/95/16/20/563951620.db2.gz LPHOMQOWVJISDE-CQSZACIVSA-N 0 0 342.464 4.025 50 0 EIAARN COCc1csc(NC(=O)N2CCCCC[C@@H]2c2ccco2)n1 ZINC000096435541 563952495 /nfs/dbraw/zinc/95/24/95/563952495.db2.gz JAWSBXJTMDWPRL-CYBMUJFWSA-N 0 0 335.429 4.032 50 0 EIAARN Cc1noc(C)c1CSCC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000096441246 563953109 /nfs/dbraw/zinc/95/31/09/563953109.db2.gz SMEIMSWNNQRPLP-BLLLJJGKSA-N 0 0 348.468 4.117 50 0 EIAARN COc1ccc2sc(C(=O)N(C)c3c(C)noc3C)c(C)c2c1 ZINC000096448289 563953574 /nfs/dbraw/zinc/95/35/74/563953574.db2.gz MNCLGHSMRJHCBI-UHFFFAOYSA-N 0 0 330.409 4.100 50 0 EIAARN CSCCc1c(-c2ccccc2)ncn1[C@H](C)CCn1cccn1 ZINC000063884013 563956501 /nfs/dbraw/zinc/95/65/01/563956501.db2.gz MUHXHTDOCMRQRH-MRXNPFEDSA-N 0 0 340.496 4.303 50 0 EIAARN Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2)c1 ZINC000064983933 563957383 /nfs/dbraw/zinc/95/73/83/563957383.db2.gz JDTNZYONCQRFRA-LJQANCHMSA-N 0 0 329.465 4.301 50 0 EIAARN CCCOc1ccc(CN2CCC[C@@H]2c2cc(CC)no2)cc1OC ZINC000064984389 563957532 /nfs/dbraw/zinc/95/75/32/563957532.db2.gz QGZFJTYPTSHIAI-QGZVFWFLSA-N 0 0 344.455 4.372 50 0 EIAARN O=C(CCc1nc(C2CC2)nn1-c1ccccc1F)c1ccccc1 ZINC000065371179 563958354 /nfs/dbraw/zinc/95/83/54/563958354.db2.gz AEHFBNKDOUIQCC-UHFFFAOYSA-N 0 0 335.382 4.099 50 0 EIAARN CC(C)Cn1ncc2c1NC(=O)C[C@@H]2c1ccccc1-c1ccco1 ZINC000065371699 563958466 /nfs/dbraw/zinc/95/84/66/563958466.db2.gz ZOCRBIALTQOARW-MRXNPFEDSA-N 0 0 335.407 4.273 50 0 EIAARN Clc1cccc(-c2ccc([C@H]3NCCc4nc[nH]c43)o2)c1Cl ZINC000065371383 563958467 /nfs/dbraw/zinc/95/84/67/563958467.db2.gz ZXLDOGOQPMAKOU-MRXNPFEDSA-N 0 0 334.206 4.212 50 0 EIAARN c1nc(-c2ccccc2)c([C@H]2CCOC2)n1CCOc1ccccc1 ZINC000065489829 563961534 /nfs/dbraw/zinc/96/15/34/563961534.db2.gz LDSVXIMQTVSHSJ-SFHVURJKSA-N 0 0 334.419 4.133 50 0 EIAARN c1nc(-c2ccccc2)c(-c2csnn2)n1CCNc1ccccc1 ZINC000065496623 563961574 /nfs/dbraw/zinc/96/15/74/563961574.db2.gz QXMKCOONWZDRLM-UHFFFAOYSA-N 0 0 347.447 4.181 50 0 EIAARN Cc1nn(CCC(C)C)c2c1[C@H](CCc1ccccc1)CC(=O)N2 ZINC000065529569 563961903 /nfs/dbraw/zinc/96/19/03/563961903.db2.gz VIGQSQGBNUWBLM-QGZVFWFLSA-N 0 0 325.456 4.296 50 0 EIAARN Cc1oc(-c2ccccc2)nc1[C@@H]1CC(=O)Nc2cc3n[nH]cc3cc21 ZINC000067724737 563962616 /nfs/dbraw/zinc/96/26/16/563962616.db2.gz JBBZFGXHEVMUBT-OAHLLOKOSA-N 0 0 344.374 4.000 50 0 EIAARN CSc1ccc(CNC(=O)c2ccc(-c3cccnc3)cc2)cc1 ZINC000033140113 563963885 /nfs/dbraw/zinc/96/38/85/563963885.db2.gz WHGLAQPYGKZKDH-UHFFFAOYSA-N 0 0 334.444 4.401 50 0 EIAARN CCCCc1nnc(NC(=O)c2csc(-c3ccc(C)o3)n2)s1 ZINC000033151862 563963982 /nfs/dbraw/zinc/96/39/82/563963982.db2.gz GMFUJIVLGGOJGA-UHFFFAOYSA-N 0 0 348.453 4.158 50 0 EIAARN Cc1noc2nc(C(C)C)cc(C(=O)Nc3c(F)cccc3F)c12 ZINC000071280426 563964117 /nfs/dbraw/zinc/96/41/17/563964117.db2.gz UTKLAJGLARVXDG-UHFFFAOYSA-N 0 0 331.322 4.185 50 0 EIAARN c1cn(Cc2ccncn2)c(-c2cccc3c4ccccc4oc32)n1 ZINC000071440059 563964440 /nfs/dbraw/zinc/96/44/40/563964440.db2.gz PXJDCOQUUWZCBR-UHFFFAOYSA-N 0 0 326.359 4.288 50 0 EIAARN COc1ccc(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)c(F)c1 ZINC000071747533 563965012 /nfs/dbraw/zinc/96/50/12/563965012.db2.gz COOJUWQYWPDFHF-UHFFFAOYSA-N 0 0 340.345 4.029 50 0 EIAARN Cc1ccc(C)c(C(=O)N2CCO[C@H](CCCc3ccccc3)C2)c1 ZINC000071749108 563965046 /nfs/dbraw/zinc/96/50/46/563965046.db2.gz AZGGNMJRUSXJOA-HXUWFJFHSA-N 0 0 337.463 4.167 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000071757095 563965273 /nfs/dbraw/zinc/96/52/73/563965273.db2.gz BZZJSQHSAISNKZ-MRXNPFEDSA-N 0 0 343.446 4.157 50 0 EIAARN CCOc1ccc2ccccc2c1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000071763179 563965404 /nfs/dbraw/zinc/96/54/04/563965404.db2.gz UJJLVTXZWLYDGC-QGZVFWFLSA-N 0 0 339.357 4.002 50 0 EIAARN COc1cccc(Oc2ccc(-n3ccnc3-c3ccoc3)cn2)c1 ZINC000071763896 563965462 /nfs/dbraw/zinc/96/54/62/563965462.db2.gz BBTQHPCAXWDGRF-UHFFFAOYSA-N 0 0 333.347 4.328 50 0 EIAARN Cc1nc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)no1 ZINC000033254148 563966106 /nfs/dbraw/zinc/96/61/06/563966106.db2.gz HNDHCEBHDYEWRH-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000046407992 563966277 /nfs/dbraw/zinc/96/62/77/563966277.db2.gz SDPBBABUPAASFZ-UHFFFAOYSA-N 0 0 348.446 4.472 50 0 EIAARN CCCCNC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033261087 563966295 /nfs/dbraw/zinc/96/62/95/563966295.db2.gz OZSJTBVGFPSSJW-UHFFFAOYSA-N 0 0 346.434 4.417 50 0 EIAARN O=C(OCCCc1ccncc1)C1(c2ccc(F)cc2)CCCC1 ZINC000096997070 563966563 /nfs/dbraw/zinc/96/65/63/563966563.db2.gz MOWGAJLNISPREU-UHFFFAOYSA-N 0 0 327.399 4.209 50 0 EIAARN Cc1nc(CN(C)C(=O)c2ccnc(SC(C)(C)C)c2)cs1 ZINC000097048197 563967050 /nfs/dbraw/zinc/96/70/50/563967050.db2.gz XOFVOJJOTLTQET-UHFFFAOYSA-N 0 0 335.498 4.009 50 0 EIAARN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc2ncsc2c1 ZINC000175908569 563967666 /nfs/dbraw/zinc/96/76/66/563967666.db2.gz HEANTNHFOXLPMN-UHFFFAOYSA-N 0 0 348.387 4.131 50 0 EIAARN Cc1cc2cccc(C(=O)N3CCN(c4ccc(C)cc4)C[C@@H]3C)c2o1 ZINC000077339357 563969007 /nfs/dbraw/zinc/96/90/07/563969007.db2.gz HTJAAHQROAEHLT-INIZCTEOSA-N 0 0 348.446 4.401 50 0 EIAARN Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@@H]3C(F)(F)F)c2c1 ZINC000077353298 563969115 /nfs/dbraw/zinc/96/91/15/563969115.db2.gz FRPHLORFXAPHEV-OAHLLOKOSA-N 0 0 336.357 4.327 50 0 EIAARN CN(C(=O)c1ccc(-n2ccnc2)cc1)[C@H]1CCCc2ccccc21 ZINC000077377676 563969285 /nfs/dbraw/zinc/96/92/85/563969285.db2.gz YMHCFTKLELNPDD-FQEVSTJZSA-N 0 0 331.419 4.022 50 0 EIAARN O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000077386280 563969319 /nfs/dbraw/zinc/96/93/19/563969319.db2.gz DBDPUJAGMPBPDA-HNNXBMFYSA-N 0 0 335.325 4.404 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)cs1 ZINC000077439290 563969679 /nfs/dbraw/zinc/96/96/79/563969679.db2.gz TUYQMVOQXGRJLU-INIZCTEOSA-N 0 0 325.437 4.219 50 0 EIAARN O[C@@H]1COc2c(F)ccc(F)c2[C@@H]1Sc1ccc(Cl)cc1 ZINC000085221451 563973755 /nfs/dbraw/zinc/97/37/55/563973755.db2.gz XYALFOHXBMXTOG-IUODEOHRSA-N 0 0 328.767 4.205 50 0 EIAARN c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000097236027 563970672 /nfs/dbraw/zinc/97/06/72/563970672.db2.gz VVBSSJGZIGDNHO-BEFAXECRSA-N 0 0 345.464 4.216 50 0 EIAARN Cc1cnc(CN[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 ZINC000097033055 563971225 /nfs/dbraw/zinc/97/12/25/563971225.db2.gz MKMIHJSAHPLKDX-HNNXBMFYSA-N 0 0 335.407 4.086 50 0 EIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000033270063 563971797 /nfs/dbraw/zinc/97/17/97/563971797.db2.gz NEIFNTNUUPVYFC-GOSISDBHSA-N 0 0 342.439 4.103 50 0 EIAARN CC(C)(C)n1ccc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000082145626 563972729 /nfs/dbraw/zinc/97/27/29/563972729.db2.gz YYFRIYYYTCPWAZ-UHFFFAOYSA-N 0 0 344.430 4.066 50 0 EIAARN O=C(Nc1cccnc1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278866 563972894 /nfs/dbraw/zinc/97/28/94/563972894.db2.gz 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/nfs/dbraw/zinc/97/40/80/563974080.db2.gz MWXGBDJHJGLFEB-VQTJNVASSA-N 0 0 349.430 4.290 50 0 EIAARN Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)cc1F ZINC000585149309 563974185 /nfs/dbraw/zinc/97/41/85/563974185.db2.gz IKNDHIHBEMIKGG-QGZVFWFLSA-N 0 0 333.428 4.093 50 0 EIAARN O=C(Nc1ccc(-c2ccncc2)nc1)c1nc2ccccc2s1 ZINC000585149376 563974215 /nfs/dbraw/zinc/97/42/15/563974215.db2.gz BBGIYTLMOVAPMC-UHFFFAOYSA-N 0 0 332.388 4.006 50 0 EIAARN O=C1NC(=Cc2ccc(-c3cccc(F)c3)o2)C(=O)N1c1ccccc1 ZINC000033328981 563974294 /nfs/dbraw/zinc/97/42/94/563974294.db2.gz OMOHASILCPADTJ-ATVHPVEESA-N 0 0 348.333 4.183 50 0 EIAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1F ZINC000000074894 563974467 /nfs/dbraw/zinc/97/44/67/563974467.db2.gz FUUQSKRKBARDAL-UHFFFAOYSA-N 0 0 333.322 4.281 50 0 EIAARN CCn1ccnc1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000091289434 563975179 /nfs/dbraw/zinc/97/51/79/563975179.db2.gz OGKHIPLCPHYDRJ-LJQANCHMSA-N 0 0 339.483 4.049 50 0 EIAARN COc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2ccccc2)s1 ZINC000091364883 563975366 /nfs/dbraw/zinc/97/53/66/563975366.db2.gz MTLOHQJCXUUVFZ-INIZCTEOSA-N 0 0 344.480 4.088 50 0 EIAARN C[C@H](c1ccncn1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000091643689 563975588 /nfs/dbraw/zinc/97/55/88/563975588.db2.gz NPHJFAGNEBQPJS-GFCCVEGCSA-N 0 0 341.798 4.223 50 0 EIAARN CCOc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1OCC ZINC000000093174 563976610 /nfs/dbraw/zinc/97/66/10/563976610.db2.gz XQHWXDGJWHDDSP-UHFFFAOYSA-N 0 0 333.815 4.319 50 0 EIAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C)s2)C1 ZINC000095504617 563977137 /nfs/dbraw/zinc/97/71/37/563977137.db2.gz BTRNDQQBLMALNJ-OAHLLOKOSA-N 0 0 331.485 4.073 50 0 EIAARN Cc1nn(C)c2nc(N(Cc3ccc(F)cc3)CC(C)C)sc12 ZINC000095522161 563977413 /nfs/dbraw/zinc/97/74/13/563977413.db2.gz ZDEDEGFIDZIAPR-UHFFFAOYSA-N 0 0 332.448 4.140 50 0 EIAARN COc1ccc(-c2ccccc2-c2nnc(C)s2)c(OC)c1OC ZINC000096148979 563979607 /nfs/dbraw/zinc/97/96/07/563979607.db2.gz BMGNBQGNKBVYHX-UHFFFAOYSA-N 0 0 342.420 4.206 50 0 EIAARN Cc1ccnc([C@H](NC(=O)Nc2cc3nc[nH]c3c(C)c2C)C2CC2)c1 ZINC000096162667 563979882 /nfs/dbraw/zinc/97/98/82/563979882.db2.gz ONKFYYUBWCEFGG-LJQANCHMSA-N 0 0 349.438 4.156 50 0 EIAARN O=C(NCc1cccc2[nH]ccc21)Nc1ccnn1C[C@@H]1CC=CCC1 ZINC000096164131 563979910 /nfs/dbraw/zinc/97/99/10/563979910.db2.gz LPIDUOMUQRVCGH-OAHLLOKOSA-N 0 0 349.438 4.042 50 0 EIAARN COc1cccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)c1 ZINC000096193809 563980095 /nfs/dbraw/zinc/98/00/95/563980095.db2.gz MXUCSJTXDJHXCG-UHFFFAOYSA-N 0 0 348.387 4.275 50 0 EIAARN O=C1c2ccccc2[C@@H]2C[C@H](Oc3ccccc3)N1N2c1ccccc1 ZINC000096318813 563980754 /nfs/dbraw/zinc/98/07/54/563980754.db2.gz KCCOAQWYRISVFM-SFTDATJTSA-N 0 0 342.398 4.414 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2F)cc1OC ZINC000011563047 563980813 /nfs/dbraw/zinc/98/08/13/563980813.db2.gz HHHGPMHRYKJPGQ-INIZCTEOSA-N 0 0 344.386 4.212 50 0 EIAARN Cc1ccc(-c2ccc(C(=O)N3CCC[C@]4(CCCO4)CC3)cc2)o1 ZINC000097076252 563981238 /nfs/dbraw/zinc/98/12/38/563981238.db2.gz 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/nfs/dbraw/zinc/98/36/43/563983643.db2.gz MFSRWAFJAJFPNV-HOTGVXAUSA-N 0 0 335.856 4.453 50 0 EIAARN COc1cc(C(=O)N2CCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000014241212 563983690 /nfs/dbraw/zinc/98/36/90/563983690.db2.gz GHVXCBAVNBAOGW-UHFFFAOYSA-N 0 0 345.826 4.164 50 0 EIAARN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000000131889 563986969 /nfs/dbraw/zinc/98/69/69/563986969.db2.gz GNRJDHXQODWHCL-OUKQBFOZSA-N 0 0 337.419 4.314 50 0 EIAARN CCOC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000000132277 563987000 /nfs/dbraw/zinc/98/70/00/563987000.db2.gz LBTDFKNJUIGHPH-LLVKDONJSA-N 0 0 344.461 4.402 50 0 EIAARN CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(OC)cc1 ZINC000000145921 563987248 /nfs/dbraw/zinc/98/72/48/563987248.db2.gz NVABUPIUZWKSFH-UHFFFAOYSA-N 0 0 340.354 4.303 50 0 EIAARN COc1ccccc1/C=C/C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000000149712 563987346 /nfs/dbraw/zinc/98/73/46/563987346.db2.gz BFNGBNMJBRKHFT-CMDGGOBGSA-N 0 0 331.799 4.318 50 0 EIAARN C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2)S1 ZINC000000161693 563987492 /nfs/dbraw/zinc/98/74/92/563987492.db2.gz ILRBYLNWMLZZKG-LBPRGKRZSA-N 0 0 329.400 4.356 50 0 EIAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1 ZINC000000175187 563987619 /nfs/dbraw/zinc/98/76/19/563987619.db2.gz JTSBYZQMGFYJEU-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1cccc(F)c1 ZINC000000176606 563987655 /nfs/dbraw/zinc/98/76/55/563987655.db2.gz CJZHOIJZRHNOQU-RZNTYIFUSA-N 0 0 337.684 4.102 50 0 EIAARN COc1ccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)cc1 ZINC000000176298 563987669 /nfs/dbraw/zinc/98/76/69/563987669.db2.gz NGWVBAGWVPNKDA-NVNXTCNLSA-N 0 0 348.185 4.347 50 0 EIAARN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc2cn(C(C)C)nc2c1 ZINC000338965099 563987680 /nfs/dbraw/zinc/98/76/80/563987680.db2.gz GSPSKYRHGKCBBK-LBPRGKRZSA-N 0 0 340.427 4.354 50 0 EIAARN O=C(CCSc1ccccc1)Nc1nc(-c2cccnc2)cs1 ZINC000000189769 563987943 /nfs/dbraw/zinc/98/79/43/563987943.db2.gz QGRCRXLZRAUFQW-UHFFFAOYSA-N 0 0 341.461 4.326 50 0 EIAARN Cc1cccc(N2NC3(CCC(C(C)(C)C)CC3)NC2=S)c1C 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O=C(Oc1ccc2cc(Br)ccc2c1)c1ccncc1 ZINC000000240860 563989133 /nfs/dbraw/zinc/98/91/33/563989133.db2.gz COPNKYIIOVOFQO-UHFFFAOYSA-N 0 0 328.165 4.217 50 0 EIAARN Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(N)=O)c1C ZINC000000248448 563989463 /nfs/dbraw/zinc/98/94/63/563989463.db2.gz BZIKOVHNWYNBHB-UHFFFAOYSA-N 0 0 330.453 4.014 50 0 EIAARN CCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C ZINC000000307615 563990886 /nfs/dbraw/zinc/99/08/86/563990886.db2.gz BDNVKVMQYRGMQU-UHFFFAOYSA-N 0 0 335.451 4.430 50 0 EIAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1ccccc1)CCC2 ZINC000000371684 563991768 /nfs/dbraw/zinc/99/17/68/563991768.db2.gz IQHRMTMCKBIZFH-UHFFFAOYSA-N 0 0 329.421 4.054 50 0 EIAARN CC(C)C(=O)N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000000372432 563991840 /nfs/dbraw/zinc/99/18/40/563991840.db2.gz SVGDURXFSSYDHC-NSHDSACASA-N 0 0 344.069 4.220 50 0 EIAARN COc1ccc(Cc2noc(COc3ccc4ccccc4c3)n2)cc1 ZINC000000378852 563991894 /nfs/dbraw/zinc/99/18/94/563991894.db2.gz OHDJBCPPWORCLZ-UHFFFAOYSA-N 0 0 346.386 4.401 50 0 EIAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000033458033 563992205 /nfs/dbraw/zinc/99/22/05/563992205.db2.gz PKWAZRHFLNBZPH-BSYHEUMXSA-N 0 0 328.437 4.320 50 0 EIAARN O=C(CNc1ccc(C(F)(F)F)cc1)N1CCCc2ccccc21 ZINC000004904179 563992364 /nfs/dbraw/zinc/99/23/64/563992364.db2.gz JRBYANKLFAHTHV-UHFFFAOYSA-N 0 0 334.341 4.097 50 0 EIAARN Cc1cnc(CCSc2nn(-c3ccccc3)c(=S)s2)cn1 ZINC000408514070 563992815 /nfs/dbraw/zinc/99/28/15/563992815.db2.gz GTDUZLAFARKLNG-UHFFFAOYSA-N 0 0 346.506 4.097 50 0 EIAARN O=C1[C@H]2c3ccccc3-c3ccccc3[C@@H]2C(=O)N1C1CCCCC1 ZINC000135754829 563993607 /nfs/dbraw/zinc/99/36/07/563993607.db2.gz VXJLULUMNAIZPU-PMACEKPBSA-N 0 0 331.415 4.236 50 0 EIAARN Cc1noc(C)c1COC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000005108481 563994361 /nfs/dbraw/zinc/99/43/61/563994361.db2.gz XGFHNYWADGQCCL-UHFFFAOYSA-N 0 0 348.358 4.457 50 0 EIAARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(F)c(Cl)c1 ZINC000409413203 563994576 /nfs/dbraw/zinc/99/45/76/563994576.db2.gz DUBIHEKOBAMMAW-UHFFFAOYSA-N 0 0 342.761 4.101 50 0 EIAARN COc1ccc(OCCSc2cc(-c3ccccc3)ncn2)cc1 ZINC000011903096 563995389 /nfs/dbraw/zinc/99/53/89/563995389.db2.gz MRCWFEDWCZJMHI-UHFFFAOYSA-N 0 0 338.432 4.323 50 0 EIAARN COc1cccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)c1 ZINC000001806703 563996057 /nfs/dbraw/zinc/99/60/57/563996057.db2.gz MYGGONYAHOGZHX-NTEUORMPSA-N 0 0 331.418 4.002 50 0 EIAARN Cc1ccsc1CN(C(=O)NCc1ccc(C)c(F)c1)C1CC1 ZINC000426503193 563996191 /nfs/dbraw/zinc/99/61/91/563996191.db2.gz ZOPYQLMKYBDNNW-UHFFFAOYSA-N 0 0 332.444 4.378 50 0 EIAARN C=CCOc1cccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)c1 ZINC000002081048 563996309 /nfs/dbraw/zinc/99/63/09/563996309.db2.gz RIZRPEXOHXHFCT-GZTJUZNOSA-N 0 0 339.778 4.249 50 0 EIAARN Cc1ccc2c(c1)C(C)=CC(C)(C)N2CN1C(=O)c2ccccc2C1=O ZINC000000295865 563996752 /nfs/dbraw/zinc/99/67/52/563996752.db2.gz PTLXNKLNNAKFNF-UHFFFAOYSA-N 0 0 346.430 4.251 50 0 EIAARN CCCc1cc2c(cc1OC)occ(-c1ccc3c(c1)OCO3)c2=O ZINC000000407285 563997615 /nfs/dbraw/zinc/99/76/15/563997615.db2.gz PDNXKUQVKLZQRG-UHFFFAOYSA-N 0 0 338.359 4.150 50 0 biogenic EIAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CSc1ccncc1 ZINC000270304370 563998088 /nfs/dbraw/zinc/99/80/88/563998088.db2.gz YYDLOWIYVHFDMT-ZDUSSCGKSA-N 0 0 349.525 4.282 50 0 EIAARN COc1ccccc1NCc1cc2cc(C)c(Cl)cc2[nH]c1=O ZINC000000421127 563998247 /nfs/dbraw/zinc/99/82/47/563998247.db2.gz SYHNXDNTUFVVNV-UHFFFAOYSA-N 0 0 328.799 4.111 50 0 EIAARN COc1ccc([C@@H]2SCC(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000000423930 563998405 /nfs/dbraw/zinc/99/84/05/563998405.db2.gz YSUHSAGJUAOXAI-KRWDZBQOSA-N 0 0 349.839 4.136 50 0 EIAARN CSc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)cc1 ZINC000000424024 563998415 /nfs/dbraw/zinc/99/84/15/563998415.db2.gz ZTRSUZSFUJADRX-INIZCTEOSA-N 0 0 337.416 4.465 50 0 EIAARN COc1ccc2nc3oc(C(=O)Nc4ccccc4OC)cc3cc2c1 ZINC000000429087 563998646 /nfs/dbraw/zinc/99/86/46/563998646.db2.gz XMOZPKNTBQHEIA-UHFFFAOYSA-N 0 0 348.358 4.251 50 0 EIAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2)c1 ZINC000000427368 563998675 /nfs/dbraw/zinc/99/86/75/563998675.db2.gz FPOARTKSESRDEM-UHFFFAOYSA-N 0 0 337.448 4.220 50 0 EIAARN O=C(CSc1nccn1-c1cccc(Cl)c1)NC1CCCCC1 ZINC000000427386 563998680 /nfs/dbraw/zinc/99/86/80/563998680.db2.gz CESCTXWUHLVGEC-UHFFFAOYSA-N 0 0 349.887 4.067 50 0 EIAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1cccs1 ZINC000000425770 563999007 /nfs/dbraw/zinc/99/90/07/563999007.db2.gz HJJDFOJHDDGLSA-UHFFFAOYSA-N 0 0 345.424 4.072 50 0 EIAARN COc1ccccc1/C=C1/N=C(c2cccc3ccccc32)OC1=O ZINC000000430397 563999365 /nfs/dbraw/zinc/99/93/65/563999365.db2.gz WKIJRDMJBRIOFL-QGOAFFKASA-N 0 0 329.355 4.193 50 0 EIAARN Cc1ccc(OCC(=O)OCc2coc(-c3ccccc3)n2)c(C)c1 ZINC000024299746 563999708 /nfs/dbraw/zinc/99/97/08/563999708.db2.gz NROWWBRBYQAPER-UHFFFAOYSA-N 0 0 337.375 4.081 50 0 EIAARN Cc1ccc(-c2csc3ncnc(N4C[C@@H](C)O[C@H](C)C4)c23)cc1 ZINC000005176187 563999973 /nfs/dbraw/zinc/99/99/73/563999973.db2.gz WCEVVRBRGKLOTP-ZIAGYGMSSA-N 0 0 339.464 4.280 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccccc1F ZINC000005192825 564000310 /nfs/dbraw/zinc/00/03/10/564000310.db2.gz LRFYRPVZPAESMB-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN Cc1cccc2c1ccn2CC(=O)Nc1nc(-c2ccncc2)cs1 ZINC000061717882 564000383 /nfs/dbraw/zinc/00/03/83/564000383.db2.gz CHVOIKLKFHNZIF-UHFFFAOYSA-N 0 0 348.431 4.107 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CCC1 ZINC000005200000 564000396 /nfs/dbraw/zinc/00/03/96/564000396.db2.gz XDAUGBVVKKHIPA-UHFFFAOYSA-N 0 0 326.362 4.434 50 0 EIAARN O=C(Nc1nnc(C2CCC2)s1)c1ccc(Cl)c(Cl)c1 ZINC000061719555 564000440 /nfs/dbraw/zinc/00/04/40/564000440.db2.gz RERSDXPSCGUWLN-UHFFFAOYSA-N 0 0 328.224 4.365 50 0 EIAARN Cc1ccc(-c2nnn(Cc3csc(-c4ccc(C)cc4)n3)n2)cc1 ZINC000005230932 564001357 /nfs/dbraw/zinc/00/13/57/564001357.db2.gz PVSNSBCASQEBCW-UHFFFAOYSA-N 0 0 347.447 4.129 50 0 EIAARN CCc1ccccc1NC(=O)Nc1cn(CCOC)c2ccccc12 ZINC000005266472 564001645 /nfs/dbraw/zinc/00/16/45/564001645.db2.gz ABPKTJVQLKJAGL-UHFFFAOYSA-N 0 0 337.423 4.494 50 0 EIAARN Cc1nc2sc(-c3ccccc3)cc2c(NCCCn2ccnc2)n1 ZINC000005268142 564001864 /nfs/dbraw/zinc/00/18/64/564001864.db2.gz ZQHNYTIQHSPGSY-UHFFFAOYSA-N 0 0 349.463 4.365 50 0 EIAARN O[C@]1(C(F)F)[C@H]2CCCCCC2=NN1c1nc2ccccc2s1 ZINC000005275066 564002321 /nfs/dbraw/zinc/00/23/21/564002321.db2.gz NRVPYWNFAOVQDB-QFYYESIMSA-N 0 0 337.395 4.006 50 0 EIAARN O=C(Nc1cccs1)N(CCc1ccccc1)Cc1ccccn1 ZINC000062017974 564002733 /nfs/dbraw/zinc/00/27/33/564002733.db2.gz JXCVFZYNLWXANU-UHFFFAOYSA-N 0 0 337.448 4.420 50 0 EIAARN Cc1ccc(Nc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000005394378 564003606 /nfs/dbraw/zinc/00/36/06/564003606.db2.gz DUMGITPPIPNEJA-UHFFFAOYSA-N 0 0 327.387 4.438 50 0 EIAARN O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1 ZINC000002636394 564003931 /nfs/dbraw/zinc/00/39/31/564003931.db2.gz KZFDMULEUKJQNF-UHFFFAOYSA-N 0 0 349.358 4.242 50 0 EIAARN Cc1cccn2cc(CSc3nnc(-c4ccccc4C)o3)nc12 ZINC000005434794 564003987 /nfs/dbraw/zinc/00/39/87/564003987.db2.gz RLTZFOKWMYTKOH-UHFFFAOYSA-N 0 0 336.420 4.293 50 0 EIAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000005440502 564004029 /nfs/dbraw/zinc/00/40/29/564004029.db2.gz UIMQYLGKPUMOIJ-UHFFFAOYSA-N 0 0 349.217 4.373 50 0 EIAARN CN(C(=O)c1cc2cc(Br)ccc2[nH]1)C1CCCCC1 ZINC000005452060 564004216 /nfs/dbraw/zinc/00/42/16/564004216.db2.gz ZJZNHECSTLWEQZ-UHFFFAOYSA-N 0 0 335.245 4.335 50 0 EIAARN COc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c(OC)c1 ZINC000005461209 564004427 /nfs/dbraw/zinc/00/44/27/564004427.db2.gz YMLPTXDDQUZJOD-UHFFFAOYSA-N 0 0 339.391 4.248 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)CC(C)C)C[C@@H](CC)CC2 ZINC000005476969 564004479 /nfs/dbraw/zinc/00/44/79/564004479.db2.gz IZGYZROXRFAWPD-LBPRGKRZSA-N 0 0 337.485 4.424 50 0 EIAARN COc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 ZINC000005498120 564004720 /nfs/dbraw/zinc/00/47/20/564004720.db2.gz PCOOLTMLQVBANO-UHFFFAOYSA-N 0 0 346.386 4.347 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 ZINC000005556420 564005314 /nfs/dbraw/zinc/00/53/14/564005314.db2.gz UNSFBESEEYWXBL-NSHDSACASA-N 0 0 328.437 4.084 50 0 EIAARN COc1ccc(C2(c3cc(-c4sc(N)nc4C)ccn3)CC2)cc1 ZINC000095629726 564005331 /nfs/dbraw/zinc/00/53/31/564005331.db2.gz YSCIVUYELXXNSH-UHFFFAOYSA-N 0 0 337.448 4.184 50 0 EIAARN CC(C)CCSc1nc2sc3c(c2c2ncnn21)CCCC3 ZINC000005574548 564005732 /nfs/dbraw/zinc/00/57/32/564005732.db2.gz LSHLSKMFYAYUCY-UHFFFAOYSA-N 0 0 332.498 4.356 50 0 EIAARN Cc1ccccc1-n1nnnc1C1(N(C)c2ccccc2)CCCCC1 ZINC000005588639 564006046 /nfs/dbraw/zinc/00/60/46/564006046.db2.gz PGHOKVUXXRZEPX-UHFFFAOYSA-N 0 0 347.466 4.267 50 0 EIAARN Cc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000000472687 564006207 /nfs/dbraw/zinc/00/62/07/564006207.db2.gz HZTYWFNLIHXXHA-UHFFFAOYSA-N 0 0 331.799 4.466 50 0 EIAARN COc1cc(OC)c(NC(=O)c2cc3ccccc3o2)cc1Cl ZINC000005617119 564006454 /nfs/dbraw/zinc/00/64/54/564006454.db2.gz KMGNBNARIVYNSV-UHFFFAOYSA-N 0 0 331.755 4.356 50 0 EIAARN C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005622420 564006631 /nfs/dbraw/zinc/00/66/31/564006631.db2.gz WDASPHOWCMDHSK-SNVBAGLBSA-N 0 0 326.343 4.220 50 0 EIAARN C[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1cccs1 ZINC000005626890 564006674 /nfs/dbraw/zinc/00/66/74/564006674.db2.gz LJGADFZMSOJUMY-GFCCVEGCSA-N 0 0 328.462 4.266 50 0 EIAARN Cc1cc(C)cc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000273329446 564007763 /nfs/dbraw/zinc/00/77/63/564007763.db2.gz TXNMPJKWMVFOQI-PMACEKPBSA-N 0 0 341.426 4.435 50 0 EIAARN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000156513687 564009093 /nfs/dbraw/zinc/00/90/93/564009093.db2.gz QNUCZLMIWJTLHR-HOTGVXAUSA-N 0 0 349.459 4.280 50 0 EIAARN Cc1nc2ccccc2c(C)c1CC(=O)NCCCc1ccccc1 ZINC000017298219 564011529 /nfs/dbraw/zinc/01/15/29/564011529.db2.gz SPXFHFPGGKLSBK-UHFFFAOYSA-N 0 0 332.447 4.143 50 0 EIAARN CSc1ncccc1C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000017525305 564011975 /nfs/dbraw/zinc/01/19/75/564011975.db2.gz HTXALPMXBBZIRS-GFCCVEGCSA-N 0 0 330.478 4.335 50 0 EIAARN O=C(NCCc1cccs1)N(Cc1ccco1)Cc1cccs1 ZINC000017698153 564012039 /nfs/dbraw/zinc/01/20/39/564012039.db2.gz DVLVJIDQNIFNJG-UHFFFAOYSA-N 0 0 346.477 4.357 50 0 EIAARN Cc1cc(=O)oc2cc(OCc3ccccc3Br)ccc12 ZINC000000306557 564012351 /nfs/dbraw/zinc/01/23/51/564012351.db2.gz DSAZECFZNTVVBH-UHFFFAOYSA-N 0 0 345.192 4.443 50 0 EIAARN Cc1ccc(C)c(OCC(=O)Nc2ccccc2Br)c1 ZINC000000316925 564012398 /nfs/dbraw/zinc/01/23/98/564012398.db2.gz HRCSURTYFQMNDW-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN C[C@H](CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000017796296 564013025 /nfs/dbraw/zinc/01/30/25/564013025.db2.gz DURBBTVUYBLPOW-IAGOWNOFSA-N 0 0 333.435 4.243 50 0 EIAARN Cc1ccc(/C=C2/CCn3c2nc2ccc(Cl)cc2c3=O)s1 ZINC000096759176 564013102 /nfs/dbraw/zinc/01/31/02/564013102.db2.gz PRTBUBCEQCHCCN-FLIBITNWSA-N 0 0 328.824 4.364 50 0 EIAARN CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000006378870 564013246 /nfs/dbraw/zinc/01/32/46/564013246.db2.gz GFOMFROIIBQABZ-UHFFFAOYSA-N 0 0 348.362 4.243 50 0 EIAARN O=C(NCc1ccccn1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000217351 564013398 /nfs/dbraw/zinc/01/33/98/564013398.db2.gz SVVHSXUSWLXLBY-UHFFFAOYSA-N 0 0 339.398 4.227 50 0 EIAARN CCOc1ccc(NCc2cc(Br)ccc2OC)cc1 ZINC000002817959 564013450 /nfs/dbraw/zinc/01/34/50/564013450.db2.gz ZFFRYAYKFFDCBG-UHFFFAOYSA-N 0 0 336.229 4.469 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)Cc1noc(-c2ccccc2F)n1 ZINC000016577809 564014416 /nfs/dbraw/zinc/01/44/16/564014416.db2.gz ZEZOQMRZUBKLBE-UHFFFAOYSA-N 0 0 345.761 4.019 50 0 EIAARN COc1ccc(Br)cc1CNCc1ccccc1Cl ZINC000008493029 564016233 /nfs/dbraw/zinc/01/62/33/564016233.db2.gz IDKTZVQTLBNKEQ-UHFFFAOYSA-N 0 0 340.648 4.401 50 0 EIAARN FC(F)(F)c1c(Br)cccc1N1CCC(F)(F)C1 ZINC000169725659 564017191 /nfs/dbraw/zinc/01/71/91/564017191.db2.gz ZWIXVCREPJFPRV-UHFFFAOYSA-N 0 0 330.094 4.313 50 0 EIAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCc2sc(Cl)cc2C1 ZINC000565775871 564017721 /nfs/dbraw/zinc/01/77/21/564017721.db2.gz AQKWCNLOHRHHKC-UHFFFAOYSA-N 0 0 346.761 4.014 50 0 EIAARN COc1ccc(-c2nc(C)c(C(=O)Nc3nc(C)cs3)s2)cc1 ZINC000018078991 564017890 /nfs/dbraw/zinc/01/78/90/564017890.db2.gz HZXGQXKEGZFKIA-UHFFFAOYSA-N 0 0 345.449 4.144 50 0 EIAARN COc1ccccc1[C@H](C)NC(=O)c1csc(-c2cccs2)n1 ZINC000018086213 564017929 /nfs/dbraw/zinc/01/79/29/564017929.db2.gz SEHPWSXGGHAPKI-NSHDSACASA-N 0 0 344.461 4.371 50 0 EIAARN O=c1nc(-c2ccc(O)cc2)[nH]c2scc(-c3cccs3)c21 ZINC000018096958 564018004 /nfs/dbraw/zinc/01/80/04/564018004.db2.gz KVPZVNDDCQIGQQ-UHFFFAOYSA-N 0 0 326.402 4.086 50 0 EIAARN CCN(CC)c1ccc2c(C)c(CC(=O)c3ccccc3)c(=O)oc2c1 ZINC000018194485 564018686 /nfs/dbraw/zinc/01/86/86/564018686.db2.gz BAIXTWLYGNZCLZ-UHFFFAOYSA-N 0 0 349.430 4.373 50 0 EIAARN Nc1c(Cl)cc(N2C(=S)N=NC2c2ccccc2)cc1Cl ZINC000005687913 564018795 /nfs/dbraw/zinc/01/87/95/564018795.db2.gz NDEITAGKZABOMK-UHFFFAOYSA-N 0 0 337.235 4.112 50 0 EIAARN Cc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 ZINC000000509712 564019874 /nfs/dbraw/zinc/01/98/74/564019874.db2.gz JMCGSKVHEVKRHD-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN Fc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 ZINC000000520972 564020984 /nfs/dbraw/zinc/02/09/84/564020984.db2.gz QYXPVXXFSJPJHN-UHFFFAOYSA-N 0 0 338.411 4.414 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)cc1 ZINC000000539727 564022346 /nfs/dbraw/zinc/02/23/46/564022346.db2.gz XZALIXSEDICSQV-GFCCVEGCSA-N 0 0 343.448 4.302 50 0 EIAARN Cc1ccc2c(c1)-c1nc3n(c(=O)c1C1(CCCCC1)C2)CCS3 ZINC000000548059 564022715 /nfs/dbraw/zinc/02/27/15/564022715.db2.gz UKTOWWYNIDSLKX-UHFFFAOYSA-N 0 0 338.476 4.082 50 0 EIAARN CCSc1nc2sc3c(c2c(N2CCCC2)n1)CC(C)(C)OC3 ZINC000000546730 564022733 /nfs/dbraw/zinc/02/27/33/564022733.db2.gz OJPBKVZUHFCLCQ-UHFFFAOYSA-N 0 0 349.525 4.255 50 0 EIAARN Cc1ccc([C@@H]2N(c3cccc(Cl)c3)C(=O)N3CCCN23)cc1 ZINC000000547268 564022765 /nfs/dbraw/zinc/02/27/65/564022765.db2.gz KXKLSSBTIXVEBA-KRWDZBQOSA-N 0 0 327.815 4.210 50 0 EIAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(F)c2)cc1 ZINC000000570292 564023715 /nfs/dbraw/zinc/02/37/15/564023715.db2.gz AIJGTRCCLMNPMZ-GFCCVEGCSA-N 0 0 346.427 4.130 50 0 EIAARN O=C(OCc1ccc(Cl)cc1Cl)c1cc(=O)c2ccccc2o1 ZINC000006423406 564023761 /nfs/dbraw/zinc/02/37/61/564023761.db2.gz 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/nfs/dbraw/zinc/02/61/53/564026153.db2.gz QCOUEVNISGJEHU-UHFFFAOYSA-N 0 0 325.412 4.086 50 0 EIAARN O=C1COc2ccc(/C=C(\Cl)c3nc4cc(F)ccc4o3)cc2N1 ZINC000195306461 564026423 /nfs/dbraw/zinc/02/64/23/564026423.db2.gz KSJLMKBFFHPJOP-WZUFQYTHSA-N 0 0 344.729 4.035 50 0 EIAARN O=C(NC1CC1)c1ccc(NC(=O)N2CCCCCCC2)cc1Cl ZINC000047588404 564026519 /nfs/dbraw/zinc/02/65/19/564026519.db2.gz AKWVSVFOYIPKLP-UHFFFAOYSA-N 0 0 349.862 4.030 50 0 EIAARN O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCCC[C@H]1c1nccs1 ZINC000106916465 564026764 /nfs/dbraw/zinc/02/67/64/564026764.db2.gz JPGNXSCXHLUVHX-NFAWXSAZSA-N 0 0 348.418 4.279 50 0 EIAARN C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccncc1 ZINC000044869135 564027248 /nfs/dbraw/zinc/02/72/48/564027248.db2.gz RLKGAZOSHFKSGR-ZDUSSCGKSA-N 0 0 344.505 4.441 50 0 EIAARN CCOc1ccccc1NC(=O)Nc1cccc(Br)c1 ZINC000044844959 564027454 /nfs/dbraw/zinc/02/74/54/564027454.db2.gz FSLMXCSFPCLVBA-UHFFFAOYSA-N 0 0 335.201 4.492 50 0 EIAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000044910367 564027679 /nfs/dbraw/zinc/02/76/79/564027679.db2.gz GXOYKXUQJNEAOQ-CQSZACIVSA-N 0 0 337.448 4.368 50 0 EIAARN O=C(Nc1ccccc1[C@@H]1CC=NO1)c1ccccc1Br ZINC000044928808 564027771 /nfs/dbraw/zinc/02/77/71/564027771.db2.gz JAMXCRTWKLIICV-HNNXBMFYSA-N 0 0 345.196 4.149 50 0 EIAARN C[C@@H](NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1cccnc1 ZINC000044951407 564027852 /nfs/dbraw/zinc/02/78/52/564027852.db2.gz BTXXTURTBNVIJF-IAQYHMDHSA-N 0 0 347.871 4.332 50 0 EIAARN Cc1cnc(C(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cn1 ZINC000045403278 564028449 /nfs/dbraw/zinc/02/84/49/564028449.db2.gz ZFHPQXJXTJVGSO-LBPRGKRZSA-N 0 0 349.356 4.170 50 0 EIAARN Cc1cc(/C=C\C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1C1CCCCC1 ZINC000108939224 564028546 /nfs/dbraw/zinc/02/85/46/564028546.db2.gz ZBOZLVMNOFPWJA-BUINCNPSSA-N 0 0 344.499 4.259 50 0 EIAARN Cc1cc(F)ccc1Nc1nc2ccccc2nc1C(=O)OC(C)C ZINC000045901478 564028795 /nfs/dbraw/zinc/02/87/95/564028795.db2.gz CEBILANORIEZIN-UHFFFAOYSA-N 0 0 339.370 4.386 50 0 EIAARN CC(C)n1c(=O)oc2cc(NC(=O)Nc3cc(F)ccc3F)ccc21 ZINC000046010553 564029145 /nfs/dbraw/zinc/02/91/45/564029145.db2.gz SZFKCXHSRZZMLY-UHFFFAOYSA-N 0 0 347.321 4.098 50 0 EIAARN COc1ccccc1[C@@H]1C[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000109536961 564029395 /nfs/dbraw/zinc/02/93/95/564029395.db2.gz KLBZFDXRRPJORR-STQMWFEESA-N 0 0 328.318 4.295 50 0 EIAARN O=C(NC1CCC(O)CC1)c1ccc(SCc2ccccc2)cc1 ZINC000048165930 564030007 /nfs/dbraw/zinc/03/00/07/564030007.db2.gz OZRYBOIPEMAADE-UHFFFAOYSA-N 0 0 341.476 4.012 50 0 EIAARN CC1=NN(c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)CC1 ZINC000048260393 564030292 /nfs/dbraw/zinc/03/02/92/564030292.db2.gz XFVGICAOOOTQTH-UHFFFAOYSA-N 0 0 347.462 4.124 50 0 EIAARN COc1cc(CNC(=O)c2cccs2)ccc1OC1CCCC1 ZINC000048281539 564030623 /nfs/dbraw/zinc/03/06/23/564030623.db2.gz VHTMJKNHKWOXKL-UHFFFAOYSA-N 0 0 331.437 4.008 50 0 EIAARN CC(/C=C1/N=C(c2cc(F)cc(F)c2)OC1=O)=C/c1ccccc1 ZINC000048325022 564030932 /nfs/dbraw/zinc/03/09/32/564030932.db2.gz MUQJMCCUXTZAJF-PVJXBVBWSA-N 0 0 325.314 4.256 50 0 EIAARN Cc1cc(Br)ccc1NC(=O)N[C@H](C)c1ccccn1 ZINC000048333957 564031125 /nfs/dbraw/zinc/03/11/25/564031125.db2.gz QDNRFTQKNYYLPN-LLVKDONJSA-N 0 0 334.217 4.035 50 0 EIAARN COc1cc([C@@H](C)NC(=O)c2ccco2)ccc1OC1CCCC1 ZINC000048340145 564031196 /nfs/dbraw/zinc/03/11/96/564031196.db2.gz GTXSAARODPCFAV-CYBMUJFWSA-N 0 0 329.396 4.101 50 0 EIAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCC1=CCCCC1 ZINC000048344245 564031260 /nfs/dbraw/zinc/03/12/60/564031260.db2.gz NWYMOEXAUNXVQE-UHFFFAOYSA-N 0 0 341.455 4.356 50 0 EIAARN CCCCCOc1ccc([C@@H](C)NC(=O)c2ccncc2)cc1OC ZINC000048518141 564031933 /nfs/dbraw/zinc/03/19/33/564031933.db2.gz CMEHIQZEBGBCBE-OAHLLOKOSA-N 0 0 342.439 4.150 50 0 EIAARN CCCCCOc1ccc([C@H](C)NC(=O)c2ccco2)cc1OC ZINC000048518151 564031948 /nfs/dbraw/zinc/03/19/48/564031948.db2.gz MUJXJGJVJOXOIL-AWEZNQCLSA-N 0 0 331.412 4.348 50 0 EIAARN COc1ccccc1OCc1cccc(C(=O)N2CCCCCC2)c1 ZINC000006732414 564033373 /nfs/dbraw/zinc/03/33/73/564033373.db2.gz CITZLOBDJAJSPC-UHFFFAOYSA-N 0 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337.448 4.358 50 0 EIAARN Fc1ccc([C@@H](NC(=S)NC2CC2)c2ccccc2Cl)cc1 ZINC000044238136 564059833 /nfs/dbraw/zinc/05/98/33/564059833.db2.gz IUXIZWHUAAXOQX-MRXNPFEDSA-N 0 0 334.847 4.195 50 0 EIAARN O=C(CSc1nc2ccccc2s1)Nc1c(F)cccc1F ZINC000003503949 564059881 /nfs/dbraw/zinc/05/98/81/564059881.db2.gz TVBFCGPJGBMTCT-UHFFFAOYSA-N 0 0 336.388 4.305 50 0 EIAARN FC(F)(F)c1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000003504034 564059887 /nfs/dbraw/zinc/05/98/87/564059887.db2.gz MTDYTRZDUGJGEW-UHFFFAOYSA-N 0 0 340.326 4.243 50 0 EIAARN O=C(NCCc1ccccc1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447762 564060135 /nfs/dbraw/zinc/06/01/35/564060135.db2.gz WMCWAROVURLFGF-UHFFFAOYSA-N 0 0 342.386 4.065 50 0 EIAARN C[C@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)c1ccc2c(c1)CCC2 ZINC000012620212 564060739 /nfs/dbraw/zinc/06/07/39/564060739.db2.gz PBVBEYNJDZASOQ-ZDUSSCGKSA-N 0 0 349.459 4.324 50 0 EIAARN O=[S@](Cc1nnc(Cc2ccccc2)o1)c1ccc2ccccc2c1 ZINC000083078032 564061004 /nfs/dbraw/zinc/06/10/04/564061004.db2.gz 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564062434 /nfs/dbraw/zinc/06/24/34/564062434.db2.gz FHUIWLNRYCVROI-UHFFFAOYSA-N 0 0 348.324 4.085 50 0 EIAARN Cc1cc(C)c(NC(=O)CNC(=O)c2sccc2C(C)C)c(C)c1 ZINC000052959249 564063159 /nfs/dbraw/zinc/06/31/59/564063159.db2.gz NLALUJZBQGTYKZ-UHFFFAOYSA-N 0 0 344.480 4.165 50 0 EIAARN CCc1ccc(CNC(=O)c2cc(-c3ccccc3)ns2)s1 ZINC000083825497 564063502 /nfs/dbraw/zinc/06/35/02/564063502.db2.gz QHJOOPACGUBVCD-UHFFFAOYSA-N 0 0 328.462 4.364 50 0 EIAARN CC(=O)Nc1ccc(Oc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000001387556 564064283 /nfs/dbraw/zinc/06/42/83/564064283.db2.gz UMADHPLICRGBIK-UHFFFAOYSA-N 0 0 347.296 4.399 50 0 EIAARN CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000001388493 564064299 /nfs/dbraw/zinc/06/42/99/564064299.db2.gz MVDDNTWUXRKXKA-MRXNPFEDSA-N 0 0 327.815 4.343 50 0 EIAARN O=C(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1 ZINC000001389019 564064347 /nfs/dbraw/zinc/06/43/47/564064347.db2.gz GBQUOUSKDRVTGB-UHFFFAOYSA-N 0 0 331.400 4.362 50 0 EIAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000015475683 564064357 /nfs/dbraw/zinc/06/43/57/564064357.db2.gz RZEYTBRYBCIETK-GFCCVEGCSA-N 0 0 346.377 4.216 50 0 EIAARN COCc1cc(N2CCCC2)nc(SCc2ccc(Cl)cc2)n1 ZINC000001389099 564064369 /nfs/dbraw/zinc/06/43/69/564064369.db2.gz GKUPOJZJNNSVJK-UHFFFAOYSA-N 0 0 349.887 4.169 50 0 EIAARN O=c1c2ccccc2cnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000001391291 564064489 /nfs/dbraw/zinc/06/44/89/564064489.db2.gz ZQZXLVVEVKWKSC-UHFFFAOYSA-N 0 0 325.582 4.346 50 0 EIAARN COCc1nc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)cs1 ZINC000083914957 564064582 /nfs/dbraw/zinc/06/45/82/564064582.db2.gz VXMNBJXOQYNEBS-QFBILLFUSA-N 0 0 328.481 4.191 50 0 EIAARN CCc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)OC)cc1 ZINC000001397601 564064774 /nfs/dbraw/zinc/06/47/74/564064774.db2.gz CWFFAHAOEXAHJR-QGZVFWFLSA-N 0 0 330.811 4.432 50 0 EIAARN O=S1(=O)CC[C@H](Sc2ccccc2Cl)c2ccsc21 ZINC000001398520 564064803 /nfs/dbraw/zinc/06/48/03/564064803.db2.gz ISXORIDTQWHGJD-NSHDSACASA-N 0 0 330.883 4.412 50 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340.762 4.239 50 0 EIAARN COc1ccc(/C=C2\Sc3nnc(C)n3N=C2C)c2ccccc12 ZINC000002771010 564065685 /nfs/dbraw/zinc/06/56/85/564065685.db2.gz VCDXGNXWVVXIFP-YVLHZVERSA-N 0 0 336.420 4.119 50 0 EIAARN Cc1noc(CN(C)[C@H](C)c2sc(-c3ccccc3)nc2C)n1 ZINC000084064704 564065999 /nfs/dbraw/zinc/06/59/99/564065999.db2.gz GCWSADCJRMXLRQ-GFCCVEGCSA-N 0 0 328.441 4.003 50 0 EIAARN CO[C@H]1CCCC[C@@H]1OC(=O)c1sc(Cc2ccccc2)nc1C ZINC000084064419 564066054 /nfs/dbraw/zinc/06/60/54/564066054.db2.gz BPOZIUSPGKIUOM-HOTGVXAUSA-N 0 0 345.464 4.157 50 0 EIAARN COc1ccc(-c2nnc(-c3cc4cc(OC)ccc4nc3C)o2)cc1 ZINC000001418696 564066057 /nfs/dbraw/zinc/06/60/57/564066057.db2.gz GXGOUQKFXRMVCR-UHFFFAOYSA-N 0 0 347.374 4.277 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1ccccc1OC[C@H]1CCCO1 ZINC000012748836 564066059 /nfs/dbraw/zinc/06/60/59/564066059.db2.gz XQSPULRDPXUHKQ-OAHLLOKOSA-N 0 0 345.826 4.459 50 0 EIAARN COc1ccc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1C ZINC000084093645 564066407 /nfs/dbraw/zinc/06/64/07/564066407.db2.gz 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/nfs/dbraw/zinc/06/72/73/564067273.db2.gz BRXYPZHOVMGVPL-NRFANRHFSA-N 0 0 345.446 4.169 50 0 EIAARN Cc1cccc(OCCN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000084211230 564067397 /nfs/dbraw/zinc/06/73/97/564067397.db2.gz IDTSQRJVDUOLCZ-UHFFFAOYSA-N 0 0 327.468 4.049 50 0 EIAARN CC(C)(C)c1csc(NC(=O)C[C@H]2OCCc3ccsc32)n1 ZINC000084284758 564067594 /nfs/dbraw/zinc/06/75/94/564067594.db2.gz MHDARBNQWJDYIM-LLVKDONJSA-N 0 0 336.482 4.145 50 0 EIAARN Cc1ncc(Cl)c(C(=O)N(CC(F)F)c2cccc(Cl)c2)n1 ZINC000084290495 564067717 /nfs/dbraw/zinc/06/77/17/564067717.db2.gz NMDLKSGQUNIIKZ-UHFFFAOYSA-N 0 0 346.164 4.004 50 0 EIAARN O=C(c1c[nH]cn1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000084341441 564067846 /nfs/dbraw/zinc/06/78/46/564067846.db2.gz FDIUHSCOQALIBB-UHFFFAOYSA-N 0 0 336.222 4.036 50 0 EIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3)c12 ZINC000012764007 564067878 /nfs/dbraw/zinc/06/78/78/564067878.db2.gz OCTZJVYORDYXBQ-UHFFFAOYSA-N 0 0 337.310 4.183 50 0 EIAARN O=C(C=C1CCCCC1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000084372481 564067969 /nfs/dbraw/zinc/06/79/69/564067969.db2.gz YKKXUDHDORHXLD-LJQANCHMSA-N 0 0 331.431 4.224 50 0 EIAARN O=C(CC1CCCC1)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000012766544 564068077 /nfs/dbraw/zinc/06/80/77/564068077.db2.gz CJOQLMXEMBAMKG-OAQYLSRUSA-N 0 0 333.435 4.349 50 0 EIAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ncccc3C)c12 ZINC000012766994 564068087 /nfs/dbraw/zinc/06/80/87/564068087.db2.gz PTQWGYVPVDVRED-UHFFFAOYSA-N 0 0 344.374 4.154 50 0 EIAARN O=C(NCc1ccccc1OC1CCCC1)c1cccc2cccnc21 ZINC000084504930 564068370 /nfs/dbraw/zinc/06/83/70/564068370.db2.gz TZBQXKAZAIPDBP-UHFFFAOYSA-N 0 0 346.430 4.486 50 0 EIAARN O=C(Cc1cccc2ccccc21)N(C[C@@H](O)c1ccccc1)C1CC1 ZINC000084522420 564068489 /nfs/dbraw/zinc/06/84/89/564068489.db2.gz RAHCTIJRTRQKQX-JOCHJYFZSA-N 0 0 345.442 4.107 50 0 EIAARN COc1cccc([C@@H](C)CC(=O)N[C@H](C)c2csc(C3CC3)n2)c1 ZINC000084544976 564068695 /nfs/dbraw/zinc/06/86/95/564068695.db2.gz GEZPZOAXORQDCI-QWHCGFSZSA-N 0 0 344.480 4.400 50 0 EIAARN O=C1CCCN1c1ccc(NCCOc2ccc3ccccc3c2)cc1 ZINC000084605991 564069021 /nfs/dbraw/zinc/06/90/21/564069021.db2.gz RUCDDFPAARNFDK-UHFFFAOYSA-N 0 0 346.430 4.458 50 0 EIAARN C[C@@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)c2ccccc21 ZINC000084715154 564069758 /nfs/dbraw/zinc/06/97/58/564069758.db2.gz JOHDWSKQKOQHQZ-OAHLLOKOSA-N 0 0 347.418 4.210 50 0 EIAARN O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 ZINC000012781542 564070017 /nfs/dbraw/zinc/07/00/17/564070017.db2.gz RPGVYGLWULXTGE-UHFFFAOYSA-N 0 0 331.343 4.445 50 0 EIAARN CCN(C)c1cccc(NC(=O)c2oc3ccccc3c2COC)c1 ZINC000084760927 564070107 /nfs/dbraw/zinc/07/01/07/564070107.db2.gz FTCXQKDBSIGOLI-UHFFFAOYSA-N 0 0 338.407 4.288 50 0 EIAARN COc1ccc([C@@H](CNc2ncccn2)c2c[nH]c3ccccc32)cc1 ZINC000012783016 564070148 /nfs/dbraw/zinc/07/01/48/564070148.db2.gz CQYVJCAPFFOWHS-GOSISDBHSA-N 0 0 344.418 4.211 50 0 EIAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2o1 ZINC000012783422 564070184 /nfs/dbraw/zinc/07/01/84/564070184.db2.gz UTXSBAKQZJJXQE-SNVBAGLBSA-N 0 0 329.787 4.229 50 0 EIAARN COc1cccc(/C=C/C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000012794680 564071316 /nfs/dbraw/zinc/07/13/16/564071316.db2.gz UELXSJOEBZKPAL-CMDGGOBGSA-N 0 0 335.325 4.044 50 0 EIAARN Cc1cc(O[C@H](C)C(=O)N2CCc3ccccc32)cc(C)c1Cl ZINC000001460641 564073111 /nfs/dbraw/zinc/07/31/11/564073111.db2.gz RZOLZJNPNUMYIM-CQSZACIVSA-N 0 0 329.827 4.313 50 0 EIAARN CCO[C@@H](C)c1nc(CC(=O)N2CCCc3cccc(C)c32)cs1 ZINC000117126625 564073370 /nfs/dbraw/zinc/07/33/70/564073370.db2.gz NXKQPJFOZNRRBI-AWEZNQCLSA-N 0 0 344.480 4.071 50 0 EIAARN Cc1cc(C(=O)N2CCC(CSCc3ccco3)CC2)c(C)o1 ZINC000085472453 564073420 /nfs/dbraw/zinc/07/34/20/564073420.db2.gz ZBBNAZMGBUJKFB-UHFFFAOYSA-N 0 0 333.453 4.275 50 0 EIAARN COc1ccc(SCC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 ZINC000085472350 564073423 /nfs/dbraw/zinc/07/34/23/564073423.db2.gz AXWAJRVCKZQQAS-QGZVFWFLSA-N 0 0 345.508 4.382 50 0 EIAARN COc1ccc(SCC2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 ZINC000085472348 564073434 /nfs/dbraw/zinc/07/34/34/564073434.db2.gz 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564075841 /nfs/dbraw/zinc/07/58/41/564075841.db2.gz OXXLARJWKALBIS-ZDUSSCGKSA-N 0 0 334.419 4.478 50 0 EIAARN COc1cc(NC(=O)Oc2ccc(F)cc2Cl)cc(OC)c1 ZINC000000397661 564075925 /nfs/dbraw/zinc/07/59/25/564075925.db2.gz QMZBLYJZPLIALL-UHFFFAOYSA-N 0 0 325.723 4.107 50 0 EIAARN C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)C(=O)N(Cl)C(=O)N1Cl ZINC000000398852 564075943 /nfs/dbraw/zinc/07/59/43/564075943.db2.gz INWNOVIDRQVIOP-QGZVFWFLSA-N 0 0 347.201 4.045 50 0 EIAARN Cc1noc(C(C)C)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012869968 564075979 /nfs/dbraw/zinc/07/59/79/564075979.db2.gz AGVSLGNEPSYNNS-UHFFFAOYSA-N 0 0 326.440 4.201 50 0 EIAARN Cc1ccc2c(c1)CS(=O)(=O)C(Cl)(Cl)c1cc(C)ccc1-2 ZINC000045069333 564076276 /nfs/dbraw/zinc/07/62/76/564076276.db2.gz KDUZHRQWCJNIOA-UHFFFAOYSA-N 0 0 341.259 4.487 50 0 EIAARN Cc1cc(F)ccc1[C@H]1CC(=O)CCN1C(=O)OCc1ccccc1 ZINC000135902652 564076704 /nfs/dbraw/zinc/07/67/04/564076704.db2.gz YDYUSCAHHHPNHK-LJQANCHMSA-N 0 0 341.382 4.177 50 0 EIAARN CC(=O)[C@H](C)n1c2ccccc2nc1SCCOc1ccccc1 ZINC000015860796 564076880 /nfs/dbraw/zinc/07/68/80/564076880.db2.gz UDCCYZVMIULNHW-AWEZNQCLSA-N 0 0 340.448 4.357 50 0 EIAARN CCCc1nc2ccccc2n1C[C@H](O)COc1cccc(C)c1C ZINC000015860737 564076889 /nfs/dbraw/zinc/07/68/89/564076889.db2.gz LMQUGBQXHWCCEY-KRWDZBQOSA-N 0 0 338.451 4.046 50 0 EIAARN CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cnc21 ZINC000012882522 564077418 /nfs/dbraw/zinc/07/74/18/564077418.db2.gz RHOBNOAVYNGFPM-LBPRGKRZSA-N 0 0 342.830 4.157 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N(C)C)nc3)ccc2c1 ZINC000012893354 564077574 /nfs/dbraw/zinc/07/75/74/564077574.db2.gz UOLFWMPMMUQHCY-CQSZACIVSA-N 0 0 349.434 4.052 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cn1 ZINC000012893954 564077600 /nfs/dbraw/zinc/07/76/00/564077600.db2.gz CATYMHXFPKNEBH-UHFFFAOYSA-N 0 0 329.359 4.451 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)CCC(=O)c2ccc(C)s2)cc1F ZINC000012901935 564077746 /nfs/dbraw/zinc/07/77/46/564077746.db2.gz GEWRXZCQIDDKOV-GFCCVEGCSA-N 0 0 349.427 4.045 50 0 EIAARN COc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000012908049 564077926 /nfs/dbraw/zinc/07/79/26/564077926.db2.gz MIPNTVBGMXPWKI-CYBMUJFWSA-N 0 0 332.400 4.193 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1 ZINC000012911901 564077967 /nfs/dbraw/zinc/07/79/67/564077967.db2.gz DDIRWLHQZQUZDB-UHFFFAOYSA-N 0 0 337.379 4.060 50 0 EIAARN CC(C)c1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1 ZINC000012914165 564078008 /nfs/dbraw/zinc/07/80/08/564078008.db2.gz BGSGMRNQRFJRSL-UHFFFAOYSA-N 0 0 330.453 4.020 50 0 EIAARN CCCC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000012916636 564078080 /nfs/dbraw/zinc/07/80/80/564078080.db2.gz LRIYHICFINMCNE-UHFFFAOYSA-N 0 0 344.358 4.371 50 0 EIAARN Cc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1F ZINC000012918098 564078114 /nfs/dbraw/zinc/07/81/14/564078114.db2.gz RIYRAOFGJDAYBW-UHFFFAOYSA-N 0 0 347.459 4.075 50 0 EIAARN CC(C)(C)c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)on1 ZINC000012918631 564078128 /nfs/dbraw/zinc/07/81/28/564078128.db2.gz XENBJHHPOYUGRD-UHFFFAOYSA-N 0 0 336.819 4.422 50 0 EIAARN CCCc1nnc(SCc2csc(-c3ccc(F)cc3)n2)[nH]1 ZINC000012917467 564078144 /nfs/dbraw/zinc/07/81/44/564078144.db2.gz XOIHYBALPYKHMT-UHFFFAOYSA-N 0 0 334.445 4.312 50 0 EIAARN O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@H]1CC1(Cl)Cl ZINC000088262221 564078727 /nfs/dbraw/zinc/07/87/27/564078727.db2.gz PGPWQBRICXVEEX-CABCVRRESA-N 0 0 338.209 4.225 50 0 EIAARN C[C@H]1CC[C@@H](CCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)O1 ZINC000074720149 564079006 /nfs/dbraw/zinc/07/90/06/564079006.db2.gz PPIBSAVCEJRTAV-KXBFYZLASA-N 0 0 342.414 4.102 50 0 EIAARN COc1ccc2cc([C@@H](C)C(=O)Nc3nc(C)cs3)ccc2c1 ZINC000012935676 564079243 /nfs/dbraw/zinc/07/92/43/564079243.db2.gz MKBFVFBMSZQXFZ-GFCCVEGCSA-N 0 0 326.421 4.356 50 0 EIAARN Cc1ccc(C(=O)CSc2nnc(CC3CCCC3)[nH]2)cc1C ZINC000012935886 564079244 /nfs/dbraw/zinc/07/92/44/564079244.db2.gz KDEJEGREKYCJDQ-UHFFFAOYSA-N 0 0 329.469 4.129 50 0 EIAARN CCn1c2ccccc2c2cc(N[C@@H](C(N)=O)c3ccccc3)ccc21 ZINC000026159952 564079340 /nfs/dbraw/zinc/07/93/40/564079340.db2.gz PVRLFIRZVIXZQC-OAQYLSRUSA-N 0 0 343.430 4.453 50 0 EIAARN O=C(Nc1ccc(C(F)(F)F)cn1)[C@H](c1ccccc1)n1cccc1 ZINC000575443220 564079469 /nfs/dbraw/zinc/07/94/69/564079469.db2.gz PFQGZAPPMOAAJE-INIZCTEOSA-N 0 0 345.324 4.130 50 0 EIAARN CSCC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cccc1 ZINC000575443141 564079487 /nfs/dbraw/zinc/07/94/87/564079487.db2.gz KKLHPJJGPLQFFI-AWEZNQCLSA-N 0 0 326.824 4.214 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)NC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000575444546 564079730 /nfs/dbraw/zinc/07/97/30/564079730.db2.gz ZCDPBUSYYQJXGD-CXAGYDPISA-N 0 0 328.460 4.282 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CCCN1c1cc(C)nc(C2CC2)n1 ZINC000088736489 564079827 /nfs/dbraw/zinc/07/98/27/564079827.db2.gz PHQJQYHIXHHJIT-GOSISDBHSA-N 0 0 347.466 4.374 50 0 EIAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OC2CCCC2)cc1 ZINC000075250634 564081162 /nfs/dbraw/zinc/08/11/62/564081162.db2.gz JQYWKTOBQPWMED-XMHGGMMESA-N 0 0 333.387 4.353 50 0 EIAARN Cc1ccc(NC(=O)[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000075278513 564081368 /nfs/dbraw/zinc/08/13/68/564081368.db2.gz BVJCMSDXSLDTQF-SFHVURJKSA-N 0 0 328.843 4.424 50 0 EIAARN COC(=O)N(C)[C@@H](c1cccc2ccccc21)[C@@H]1CCCCC1=O ZINC000075286127 564081553 /nfs/dbraw/zinc/08/15/53/564081553.db2.gz GHFGJVQXQCUTJI-MJGOQNOKSA-N 0 0 325.408 4.338 50 0 EIAARN Cc1sccc1CC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000346261265 564081770 /nfs/dbraw/zinc/08/17/70/564081770.db2.gz ZAOPONIVUUZLQN-ZWKOTPCHSA-N 0 0 347.455 4.117 50 0 EIAARN O=C(NCCc1ccccc1)NCc1ccc(-c2ccsc2)o1 ZINC000575609328 564082495 /nfs/dbraw/zinc/08/24/95/564082495.db2.gz BAHOEBBLKBYDFR-UHFFFAOYSA-N 0 0 326.421 4.050 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)o1)c1ccccc1C(F)(F)F ZINC000575609563 564082504 /nfs/dbraw/zinc/08/25/04/564082504.db2.gz DKERNESOFDIMSJ-UHFFFAOYSA-N 0 0 335.281 4.488 50 0 EIAARN O=C(c1nc2ccccc2s1)N1CCc2sc(Cl)cc2C1 ZINC000575615092 564083367 /nfs/dbraw/zinc/08/33/67/564083367.db2.gz AVRACLABCJIUOQ-UHFFFAOYSA-N 0 0 334.853 4.210 50 0 EIAARN O=C(NCc1ccc(-c2ccoc2)nc1)Nc1ccccc1Cl ZINC000575616296 564083474 /nfs/dbraw/zinc/08/34/74/564083474.db2.gz KTPFIYFJQBNPIG-UHFFFAOYSA-N 0 0 327.771 4.317 50 0 EIAARN Cc1ccc(C2=NC(=CNc3cc(Cl)ccc3C)C(=O)O2)cc1 ZINC000006300989 564083744 /nfs/dbraw/zinc/08/37/44/564083744.db2.gz PRGLBAUAIAGVFP-YBEGLDIGSA-N 0 0 326.783 4.214 50 0 EIAARN Nc1nc(CSc2ccc(O)cc2)nc2sc3c(c21)CCCC3 ZINC000064037838 564083752 /nfs/dbraw/zinc/08/37/52/564083752.db2.gz MXJJGQQOOLPSPL-UHFFFAOYSA-N 0 0 343.477 4.150 50 0 EIAARN Cc1cc(-c2cc(S(=O)(=O)Nc3ccccc3C)c(C)s2)on1 ZINC000075435282 564084722 /nfs/dbraw/zinc/08/47/22/564084722.db2.gz HLJCJRUESZHEKH-UHFFFAOYSA-N 0 0 348.449 4.129 50 0 EIAARN Cc1nc(-c2ccc(CCNC(=O)c3ccccc3F)cc2)cs1 ZINC000012979486 564084956 /nfs/dbraw/zinc/08/49/56/564084956.db2.gz YSOQAXLMRZJDFI-UHFFFAOYSA-N 0 0 340.423 4.230 50 0 EIAARN Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000006328769 564085022 /nfs/dbraw/zinc/08/50/22/564085022.db2.gz INMXWHVUMXHXGA-UHFFFAOYSA-N 0 0 347.770 4.051 50 0 EIAARN COc1cccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000006331840 564085183 /nfs/dbraw/zinc/08/51/83/564085183.db2.gz HSCPZEGCDLRKHB-UHFFFAOYSA-N 0 0 332.812 4.140 50 0 EIAARN CCOc1cccc(NC(=O)c2ccc(Br)cc2F)c1 ZINC000006355721 564085307 /nfs/dbraw/zinc/08/53/07/564085307.db2.gz NSCZLUWEAOFZRV-UHFFFAOYSA-N 0 0 338.176 4.239 50 0 EIAARN Cc1ccc(C(C)C)cc1OCC(=O)NCc1cccc(Cl)c1 ZINC000006377493 564085342 /nfs/dbraw/zinc/08/53/42/564085342.db2.gz HFDZUYGDICHWEX-UHFFFAOYSA-N 0 0 331.843 4.467 50 0 EIAARN Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000006386504 564085439 /nfs/dbraw/zinc/08/54/39/564085439.db2.gz JVRPLJQYYLEAKS-ZDUSSCGKSA-N 0 0 348.240 4.472 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)no1 ZINC000006401270 564085547 /nfs/dbraw/zinc/08/55/47/564085547.db2.gz JGIKKTMKAMYYQI-UHFFFAOYSA-N 0 0 344.374 4.154 50 0 EIAARN CCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1 ZINC000006405685 564085651 /nfs/dbraw/zinc/08/56/51/564085651.db2.gz QCHUXFURUGQEON-UHFFFAOYSA-N 0 0 331.437 4.365 50 0 EIAARN O=C(/C=C/c1ccccc1Br)Nc1nc(C2CC2)cs1 ZINC000026050942 564085796 /nfs/dbraw/zinc/08/57/96/564085796.db2.gz YKZYFAFGCCLOKN-BQYQJAHWSA-N 0 0 349.253 4.435 50 0 EIAARN COc1ccc(-c2ccc(CCC(=O)NCc3ccccc3)o2)cc1 ZINC000012996466 564086034 /nfs/dbraw/zinc/08/60/34/564086034.db2.gz WOOCPMUIKTXSNV-UHFFFAOYSA-N 0 0 335.403 4.204 50 0 biogenic EIAARN C[C@@H](NC(=O)CSCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000013002638 564086324 /nfs/dbraw/zinc/08/63/24/564086324.db2.gz CMXMEPMJRIJAPU-CQSZACIVSA-N 0 0 349.883 4.329 50 0 EIAARN Cc1csc(SCc2c3ccccc3oc2C(=O)N(C)C)n1 ZINC000013010145 564086500 /nfs/dbraw/zinc/08/65/00/564086500.db2.gz JUJDIDDVOZLFGW-UHFFFAOYSA-N 0 0 332.450 4.192 50 0 EIAARN CC(=O)c1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)cc1 ZINC000075478722 564086622 /nfs/dbraw/zinc/08/66/22/564086622.db2.gz KOUYJJLUYOTQKY-UHFFFAOYSA-N 0 0 349.434 4.460 50 0 EIAARN COc1ccccc1NC(=O)CCc1ccc2[nH]c(C(C)C)nc2c1 ZINC000075478766 564086678 /nfs/dbraw/zinc/08/66/78/564086678.db2.gz IOLHBCIZNYQAJC-UHFFFAOYSA-N 0 0 337.423 4.266 50 0 EIAARN O=C(Cc1csc(-c2ccsc2)n1)N[C@H]1CCc2ccccc21 ZINC000013012275 564086726 /nfs/dbraw/zinc/08/67/26/564086726.db2.gz YBHALEVCDQNCQM-INIZCTEOSA-N 0 0 340.473 4.218 50 0 EIAARN Cc1ccc2nc(NC(=O)CCOc3cccc(C)c3)sc2c1 ZINC000013017801 564086827 /nfs/dbraw/zinc/08/68/27/564086827.db2.gz VFIIWDBIBSPNMO-UHFFFAOYSA-N 0 0 326.421 4.321 50 0 EIAARN CCCCOC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000001744689 564086993 /nfs/dbraw/zinc/08/69/93/564086993.db2.gz NEOKZWULCWVBLQ-UHFFFAOYSA-N 0 0 345.826 4.478 50 0 EIAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(-c2cccs2)nc1 ZINC000075502227 564087124 /nfs/dbraw/zinc/08/71/24/564087124.db2.gz QAOFPTRNBZNIBM-UHFFFAOYSA-N 0 0 330.359 4.018 50 0 EIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccsc3)nc2)cc1 ZINC000075501975 564087131 /nfs/dbraw/zinc/08/71/31/564087131.db2.gz YYWQJRQADNHVTD-CYBMUJFWSA-N 0 0 338.432 4.310 50 0 EIAARN O=C(Nc1cccc(Br)c1)c1ccc2ncsc2c1 ZINC000002630759 564087664 /nfs/dbraw/zinc/08/76/64/564087664.db2.gz WTKMOBRZDZSEMZ-UHFFFAOYSA-N 0 0 333.210 4.311 50 0 EIAARN C[C@@H](C(=O)Nc1ccccc1F)n1c(-c2cccs2)n[nH]c1=S ZINC000064334350 564087878 /nfs/dbraw/zinc/08/78/78/564087878.db2.gz JROAAHZWTOKHRS-VIFPVBQESA-N 0 0 348.428 4.008 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCSc3ccc(Cl)cc32)c1C ZINC000075536400 564087926 /nfs/dbraw/zinc/08/79/26/564087926.db2.gz VGTYJZLZAYISRQ-UHFFFAOYSA-N 0 0 348.855 4.240 50 0 EIAARN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1(C)C ZINC000239782419 564088218 /nfs/dbraw/zinc/08/82/18/564088218.db2.gz COKKROBPINNDRC-RFQIPJPRSA-N 0 0 335.410 4.017 50 0 EIAARN C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245265817 564088651 /nfs/dbraw/zinc/08/86/51/564088651.db2.gz IGJROBULCVXYHC-VKJFTORMSA-N 0 0 345.483 4.224 50 0 EIAARN CCn1c(-c2cc(NC(=O)c3ccccc3F)n[nH]2)cc2ccccc21 ZINC000075544367 564088676 /nfs/dbraw/zinc/08/86/76/564088676.db2.gz FQCRBRMAWOOYBK-UHFFFAOYSA-N 0 0 348.381 4.443 50 0 EIAARN O=C(O[C@@H](c1ccncc1)c1ccc(F)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246618785 564089237 /nfs/dbraw/zinc/08/92/37/564089237.db2.gz XMIBVQJCQHXWIX-YDZRNGNQSA-N 0 0 325.383 4.290 50 0 EIAARN O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000006473656 564089457 /nfs/dbraw/zinc/08/94/57/564089457.db2.gz RPNGAGMHOGLTLX-UHFFFAOYSA-N 0 0 348.729 4.460 50 0 EIAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)cc3C)sc2c1 ZINC000006472667 564089463 /nfs/dbraw/zinc/08/94/63/564089463.db2.gz ACPGEGAUTSQUTI-UHFFFAOYSA-N 0 0 339.420 4.124 50 0 EIAARN CCn1c(-c2cc(NC(=O)c3ccsc3)n[nH]2)cc2ccccc21 ZINC000075558643 564089516 /nfs/dbraw/zinc/08/95/16/564089516.db2.gz VNUNJCXXEDLYHV-UHFFFAOYSA-N 0 0 336.420 4.365 50 0 EIAARN CN(C)c1ccc(N(C)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000089326570 564089699 /nfs/dbraw/zinc/08/96/99/564089699.db2.gz ZSSLHGGZLBYMKA-UHFFFAOYSA-N 0 0 347.462 4.363 50 0 EIAARN Cc1cc([C@@H](C)C(=O)N2CCC[C@H]2c2c(C)nn(C)c2Cl)c(C)o1 ZINC000075602439 564089740 /nfs/dbraw/zinc/08/97/40/564089740.db2.gz AMRCOYDTRVKAHQ-ABAIWWIYSA-N 0 0 349.862 4.059 50 0 EIAARN CC(C)(C)c1ccccc1NC(=O)NCC1CCC2(CC1)OCCO2 ZINC000192409114 564090148 /nfs/dbraw/zinc/09/01/48/564090148.db2.gz BJJMMALAYSDOAY-UHFFFAOYSA-N 0 0 346.471 4.039 50 0 EIAARN COCCC1(CNC(=O)Nc2ccccc2CC(F)(F)F)CCC1 ZINC000089410123 564090212 /nfs/dbraw/zinc/09/02/12/564090212.db2.gz YICGROUTLONORC-UHFFFAOYSA-N 0 0 344.377 4.120 50 0 EIAARN CC(=O)Oc1c(C)c(C)c(O)c(C)c1CC(C)N=Nc1ccccc1 ZINC000252599481 564090711 /nfs/dbraw/zinc/09/07/11/564090711.db2.gz DJVWHIUOKHQCSB-UHFFFAOYSA-N 0 0 340.423 4.273 50 0 EIAARN COc1ccccc1Oc1nc2ccccc2nc1N1CCCCC1 ZINC000064438526 564091336 /nfs/dbraw/zinc/09/13/36/564091336.db2.gz AUYYUMWXFCLXCG-UHFFFAOYSA-N 0 0 335.407 4.421 50 0 EIAARN COc1ccccc1/C=C/C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000006519382 564091383 /nfs/dbraw/zinc/09/13/83/564091383.db2.gz KDMJJXOESLAOJA-VOTSOKGWSA-N 0 0 325.452 4.041 50 0 EIAARN Cc1c2c(nn1-c1ccc(SCc3ccc(C)cc3)nn1)CCC2 ZINC000064459640 564091434 /nfs/dbraw/zinc/09/14/34/564091434.db2.gz RFPSDOWMAMHHRU-UHFFFAOYSA-N 0 0 336.464 4.060 50 0 EIAARN CC[C@@H](C)Sc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000006529084 564091443 /nfs/dbraw/zinc/09/14/43/564091443.db2.gz QKUVCRKEQJWNGM-GFCCVEGCSA-N 0 0 328.441 4.029 50 0 EIAARN COc1ccc2c(c1)C(c1ccccc1)=NNC(c1cccs1)=N2 ZINC000006556082 564091999 /nfs/dbraw/zinc/09/19/99/564091999.db2.gz ZFYQMBAJAXKDGL-UHFFFAOYSA-N 0 0 333.416 4.191 50 0 EIAARN CSc1nc2ccc(NC(=O)Cc3ccccc3F)cc2s1 ZINC000006585083 564092322 /nfs/dbraw/zinc/09/23/22/564092322.db2.gz JEEBDJAXMJMJSZ-UHFFFAOYSA-N 0 0 332.425 4.339 50 0 EIAARN c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 ZINC000006598033 564092581 /nfs/dbraw/zinc/09/25/81/564092581.db2.gz ADYNDGBDWNQGKT-PZJWPPBQSA-N 0 0 327.387 4.324 50 0 EIAARN Cc1nnc(-c2ccc(C(=O)N3CCCc4cc(C)cc(C)c43)cc2)o1 ZINC000089582677 564092952 /nfs/dbraw/zinc/09/29/52/564092952.db2.gz YVBSRDCVQDCHFK-UHFFFAOYSA-N 0 0 347.418 4.255 50 0 EIAARN CCn1c(CNC(=O)Cc2cccc3ccccc32)nc2ccccc21 ZINC000016695607 564092989 /nfs/dbraw/zinc/09/29/89/564092989.db2.gz SNWDZOFJCDNKNB-UHFFFAOYSA-N 0 0 343.430 4.068 50 0 EIAARN Cc1occc1CNC(=O)Nc1c(C)cc(Br)cc1C ZINC000089587269 564093002 /nfs/dbraw/zinc/09/30/02/564093002.db2.gz RCQUFYZKLFMYQI-UHFFFAOYSA-N 0 0 337.217 4.289 50 0 EIAARN COc1cc(NC(=O)CCCSc2ccccc2)cc(OC)c1 ZINC000006609077 564093261 /nfs/dbraw/zinc/09/32/61/564093261.db2.gz GOXAGDAVDQTRAV-UHFFFAOYSA-N 0 0 331.437 4.215 50 0 EIAARN Cc1cccc(NCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)c1 ZINC000002053242 564093441 /nfs/dbraw/zinc/09/34/41/564093441.db2.gz JXXWRXBGBDTJFO-YBEGLDIGSA-N 0 0 342.395 4.240 50 0 EIAARN Cc1cc(C2CCC2)nc(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 ZINC000426492812 564093858 /nfs/dbraw/zinc/09/38/58/564093858.db2.gz MTEKOINBKGBJBD-INIZCTEOSA-N 0 0 337.467 4.113 50 0 EIAARN COCC1(N(C)C(=O)c2ccc(-c3ccc(C)c(F)c3)cc2)CC1 ZINC000426563269 564094130 /nfs/dbraw/zinc/09/41/30/564094130.db2.gz JTFBFKAWLMAQOU-UHFFFAOYSA-N 0 0 327.399 4.052 50 0 EIAARN O=C(c1ccc2scnc2c1)N(Cc1ccco1)Cc1ccccn1 ZINC000426594766 564094178 /nfs/dbraw/zinc/09/41/78/564094178.db2.gz BWLGICGVMUMUCI-UHFFFAOYSA-N 0 0 349.415 4.127 50 0 EIAARN Cc1cnccc1-c1cccc(C(=O)N[C@@H](C)CCCC(C)(C)O)c1 ZINC000426722667 564094465 /nfs/dbraw/zinc/09/44/65/564094465.db2.gz QYCCSJBCNMHMGG-INIZCTEOSA-N 0 0 340.467 4.117 50 0 EIAARN CN(C)c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000006623530 564094549 /nfs/dbraw/zinc/09/45/49/564094549.db2.gz HNBLAYAIDWKPLY-UHFFFAOYSA-N 0 0 337.250 4.332 50 0 EIAARN O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000006627419 564094667 /nfs/dbraw/zinc/09/46/67/564094667.db2.gz HOXOJLMKNRNXPB-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN CCc1nc2c(-c3ccc(C)cc3)noc2c(NCc2ccccn2)n1 ZINC000064658455 564094750 /nfs/dbraw/zinc/09/47/50/564094750.db2.gz SAXUVYLIQBGVPO-UHFFFAOYSA-N 0 0 345.406 4.163 50 0 EIAARN CCCc1sc(C(=O)NCc2cccs2)cc1Br ZINC000006636441 564094755 /nfs/dbraw/zinc/09/47/55/564094755.db2.gz QPYMPLMFASICAD-UHFFFAOYSA-N 0 0 344.299 4.455 50 0 EIAARN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(C)C)cc1 ZINC000006638152 564094759 /nfs/dbraw/zinc/09/47/59/564094759.db2.gz PIOKSMZTDAAQGT-UHFFFAOYSA-N 0 0 333.435 4.240 50 0 EIAARN CC[C@@H]1Cn2c(C(=O)NCCc3ccccc3C)cc3cccc(c32)O1 ZINC000064657945 564094807 /nfs/dbraw/zinc/09/48/07/564094807.db2.gz ISWFNHQYZSVIEZ-GOSISDBHSA-N 0 0 348.446 4.093 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NC[C@H](C)c3ccccc3)cc3cccc(c32)O1 ZINC000064657901 564094817 /nfs/dbraw/zinc/09/48/17/564094817.db2.gz IZBJZPJAPSUQSE-YJBOKZPZSA-N 0 0 348.446 4.346 50 0 EIAARN CC[C@@H]1Cn2c(C(=O)NC3CCCCCC3)cc3cccc(c32)O1 ZINC000064657826 564094823 /nfs/dbraw/zinc/09/48/23/564094823.db2.gz DFFOBKCZGRUENQ-MRXNPFEDSA-N 0 0 326.440 4.265 50 0 EIAARN Cc1ccc(-c2nc(-c3ccc4c(c3)[nH]c(=O)n4C(C)C)no2)c(C)c1 ZINC000064661781 564094851 /nfs/dbraw/zinc/09/48/51/564094851.db2.gz FMTXMWASBMJCMG-UHFFFAOYSA-N 0 0 348.406 4.244 50 0 EIAARN Cc1ccc(-c2nn(C)cc2CCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000064659679 564094892 /nfs/dbraw/zinc/09/48/92/564094892.db2.gz 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/nfs/dbraw/zinc/09/53/41/564095341.db2.gz ZHJOYWBDOMUHIY-UHFFFAOYSA-N 0 0 345.389 4.286 50 0 EIAARN CCOc1ccc(N[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000006652965 564095479 /nfs/dbraw/zinc/09/54/79/564095479.db2.gz MTEKEEVZURTMKL-QRWLVFNGSA-N 0 0 338.451 4.080 50 0 EIAARN O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(Cl)cc1 ZINC000007973137 564095555 /nfs/dbraw/zinc/09/55/55/564095555.db2.gz GTPZRDDETFTQFX-UHFFFAOYSA-N 0 0 343.858 4.381 50 0 EIAARN c1ccc(OCCCn2c(CN3CCCCC3)nc3ccccc32)cc1 ZINC000006664673 564095632 /nfs/dbraw/zinc/09/56/32/564095632.db2.gz IRWNENXCOMGXSY-UHFFFAOYSA-N 0 0 349.478 4.491 50 0 EIAARN Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C(C)C)cc1Cl ZINC000064818464 564096508 /nfs/dbraw/zinc/09/65/08/564096508.db2.gz YWFYOQQPQHBKAR-UHFFFAOYSA-N 0 0 328.803 4.226 50 0 EIAARN CCCn1nnc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc21 ZINC000064818567 564096545 /nfs/dbraw/zinc/09/65/45/564096545.db2.gz FRVLMZXGWCWHRW-UHFFFAOYSA-N 0 0 328.803 4.055 50 0 EIAARN COc1ccc(Nc2ncnc3c(-c4ccc(C)cc4)noc32)cc1 ZINC000064820870 564096618 /nfs/dbraw/zinc/09/66/18/564096618.db2.gz JZELPMLRVBKFLJ-UHFFFAOYSA-N 0 0 332.363 4.345 50 0 EIAARN Oc1cccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)c1 ZINC000006732866 564096649 /nfs/dbraw/zinc/09/66/49/564096649.db2.gz BUDVJRWPRDVECT-UHFFFAOYSA-N 0 0 336.782 4.499 50 0 EIAARN COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(F)cc2)cc1 ZINC000006747495 564096931 /nfs/dbraw/zinc/09/69/31/564096931.db2.gz CDCWEMVXBKAFOR-UHFFFAOYSA-N 0 0 339.366 4.270 50 0 EIAARN CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cccs1 ZINC000006747858 564097014 /nfs/dbraw/zinc/09/70/14/564097014.db2.gz WPTFRLMWVLOAEE-QGZVFWFLSA-N 0 0 341.411 4.233 50 0 EIAARN C[C@@H](CNc1nc2ccc(Cl)cc2n2cnnc12)c1ccccc1 ZINC000006752078 564097186 /nfs/dbraw/zinc/09/71/86/564097186.db2.gz WJGWARRCZWGCPU-LBPRGKRZSA-N 0 0 337.814 4.147 50 0 EIAARN COc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000006759879 564097314 /nfs/dbraw/zinc/09/73/14/564097314.db2.gz JTFLZUVBPOBZEX-UHFFFAOYSA-N 0 0 336.269 4.311 50 0 EIAARN Cc1ccc2c(cnn2C(=O)CCCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000006768601 564097444 /nfs/dbraw/zinc/09/74/44/564097444.db2.gz GUKWRBQOGRMGLA-MRXNPFEDSA-N 0 0 349.434 4.033 50 0 EIAARN Clc1cncc(NCc2ccccc2OCc2ccccc2)n1 ZINC000064914658 564097648 /nfs/dbraw/zinc/09/76/48/564097648.db2.gz QQKYHJNPIYHDDS-UHFFFAOYSA-N 0 0 325.799 4.321 50 0 EIAARN Cc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 ZINC000006788513 564097827 /nfs/dbraw/zinc/09/78/27/564097827.db2.gz BWWHBDMPQPUBCD-UHFFFAOYSA-N 0 0 337.404 4.193 50 0 EIAARN COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1 ZINC000006788844 564097865 /nfs/dbraw/zinc/09/78/65/564097865.db2.gz KUSJXYFEUQDOAC-UHFFFAOYSA-N 0 0 342.395 4.139 50 0 EIAARN Cc1nc2ccc(NC(=O)CCOc3ccccc3C)cc2s1 ZINC000006790487 564097919 /nfs/dbraw/zinc/09/79/19/564097919.db2.gz JQMVZIBAXHPUGQ-UHFFFAOYSA-N 0 0 326.421 4.321 50 0 EIAARN CCOc1ccccc1Nc1c(=O)c(=O)c1-c1ccc(C(C)C)cc1 ZINC000006793411 564098026 /nfs/dbraw/zinc/09/80/26/564098026.db2.gz LOPJSZODPSUMPK-UHFFFAOYSA-N 0 0 335.403 4.215 50 0 EIAARN Cn1c2ccccc2c(C[NH2+][C@H]2CCCc3ccccc32)c1C(=O)[O-] ZINC000006803479 564098294 /nfs/dbraw/zinc/09/82/94/564098294.db2.gz KLXBPMSVRWAQDG-SFHVURJKSA-N 0 0 334.419 4.044 50 0 EIAARN CCn1c(C(=O)NCc2ccc(F)cc2)cc2sc(Cl)cc21 ZINC000006804718 564098373 /nfs/dbraw/zinc/09/83/73/564098373.db2.gz YSEOCXAEJVHNHE-UHFFFAOYSA-N 0 0 336.819 4.445 50 0 EIAARN CCn1cc(-c2nc(-c3ccc(C)c(C)c3)no2)c(=O)c2ccccc21 ZINC000064963683 564098634 /nfs/dbraw/zinc/09/86/34/564098634.db2.gz NCYJFYUQXSARDN-UHFFFAOYSA-N 0 0 345.402 4.355 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)nnn1-c1cc(C)cc(C)c1 ZINC000006816006 564098667 /nfs/dbraw/zinc/09/86/67/564098667.db2.gz PSYHLIMWXQCUNQ-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)nnn1-c1ccc(C)c(C)c1 ZINC000006815937 564098671 /nfs/dbraw/zinc/09/86/71/564098671.db2.gz WMDGCQOOSGWOLF-UHFFFAOYSA-N 0 0 334.423 4.062 50 0 EIAARN O=C(NCc1cccs1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967904 564098724 /nfs/dbraw/zinc/09/87/24/564098724.db2.gz 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O=C(NCc1ccccn1)c1cc2cn(C3CCCC3)cc2s1 ZINC000065314266 564105071 /nfs/dbraw/zinc/10/50/71/564105071.db2.gz PFBLEIAAHUJUBL-UHFFFAOYSA-N 0 0 325.437 4.143 50 0 EIAARN COc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)ccc1C ZINC000007117261 564105093 /nfs/dbraw/zinc/10/50/93/564105093.db2.gz QWCWMXVJAABEHH-ZDUSSCGKSA-N 0 0 340.448 4.447 50 0 EIAARN Cc1ccccc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2C)no1 ZINC000065320334 564105132 /nfs/dbraw/zinc/10/51/32/564105132.db2.gz GHMLTZHJPVUZDK-SFHVURJKSA-N 0 0 347.418 4.331 50 0 EIAARN Cc1nc(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000170085646 564105405 /nfs/dbraw/zinc/10/54/05/564105405.db2.gz ZJFWYQUUFHJRQS-DJJJIMSYSA-N 0 0 348.874 4.286 50 0 EIAARN COc1ccc(COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1F ZINC000007166245 564105569 /nfs/dbraw/zinc/10/55/69/564105569.db2.gz HNBGJICNDSGYRF-LLVKDONJSA-N 0 0 334.412 4.378 50 0 EIAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)o1 ZINC000007195653 564105691 /nfs/dbraw/zinc/10/56/91/564105691.db2.gz GWJQXRWPRDOYPN-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/11/54/07/564115407.db2.gz JBVYGKPZIVHUDJ-UHFFFAOYSA-N 0 0 346.814 4.425 50 0 EIAARN Cc1cccc(CSCC(=O)N2CCCC[C@H]2c2cccn2C)c1 ZINC000076093562 564115699 /nfs/dbraw/zinc/11/56/99/564115699.db2.gz CPDJALLKTWOZED-IBGZPJMESA-N 0 0 342.508 4.321 50 0 EIAARN CCC1(CNC(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)CCCC1 ZINC000089948189 564115710 /nfs/dbraw/zinc/11/57/10/564115710.db2.gz ORVGEJCYCOWCLM-UHFFFAOYSA-N 0 0 331.460 4.354 50 0 EIAARN CCC[C@]1(C(F)(F)F)CCCN1Cc1cccc(NC(C)=O)c1 ZINC000089949960 564115845 /nfs/dbraw/zinc/11/58/45/564115845.db2.gz RMWMOIMIGJYDTD-MRXNPFEDSA-N 0 0 328.378 4.342 50 0 EIAARN CCOC(=O)Nc1cccc(NCc2cnc3cc(C)ccn23)c1C ZINC000089984762 564116011 /nfs/dbraw/zinc/11/60/11/564116011.db2.gz QYLXAKUAEYXBAC-UHFFFAOYSA-N 0 0 338.411 4.132 50 0 EIAARN O=C(CSc1nccn1C1CCCC1)Nc1cccc(Cl)c1 ZINC000017149994 564116535 /nfs/dbraw/zinc/11/65/35/564116535.db2.gz RXHUGHSYSFWJGE-UHFFFAOYSA-N 0 0 335.860 4.382 50 0 EIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)C1 ZINC000017166885 564116568 /nfs/dbraw/zinc/11/65/68/564116568.db2.gz WSAFNTHFNJGKHE-BETUJISGSA-N 0 0 327.449 4.426 50 0 EIAARN COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000000181067 564116650 /nfs/dbraw/zinc/11/66/50/564116650.db2.gz VFRCORZQNAZIEC-UHFFFAOYSA-N 0 0 343.386 4.491 50 0 EIAARN O=C(OCc1cccc(F)c1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000001079872 564116883 /nfs/dbraw/zinc/11/68/83/564116883.db2.gz QRNJQRRSWNYGEZ-UHFFFAOYSA-N 0 0 332.330 4.394 50 0 EIAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1 ZINC000002871546 564117050 /nfs/dbraw/zinc/11/70/50/564117050.db2.gz XPWHEXNKJNHRJJ-GOSISDBHSA-N 0 0 345.442 4.480 50 0 EIAARN Cc1ccc(SCC(=O)NCCSCc2cccs2)cc1 ZINC000002876658 564117111 /nfs/dbraw/zinc/11/71/11/564117111.db2.gz VPLTWKXKRBKQKQ-UHFFFAOYSA-N 0 0 337.535 4.198 50 0 EIAARN O=C(Nc1ccccc1C(=O)OCc1cccc(F)c1)c1ccco1 ZINC000003017557 564117145 /nfs/dbraw/zinc/11/71/45/564117145.db2.gz IQQITWBOQYDENE-UHFFFAOYSA-N 0 0 339.322 4.028 50 0 EIAARN OC[C@@H]1CCCC[C@H]1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000170636475 564117303 /nfs/dbraw/zinc/11/73/03/564117303.db2.gz NLCLRTRBEQXZQN-GOEBONIOSA-N 0 0 339.464 4.321 50 0 EIAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)CCC1CCCCC1 ZINC000007759641 564117553 /nfs/dbraw/zinc/11/75/53/564117553.db2.gz PKOGAYCNOCDKBL-UHFFFAOYSA-N 0 0 327.428 4.056 50 0 EIAARN COc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2C)cc1OC ZINC000363453738 564117805 /nfs/dbraw/zinc/11/78/05/564117805.db2.gz BWSBSNSSMIVICJ-UHFFFAOYSA-N 0 0 348.402 4.327 50 0 EIAARN CCc1cc(=O)oc2c1ccc1c2CN(c2cc(C)cc(C)c2)CO1 ZINC000002118936 564118226 /nfs/dbraw/zinc/11/82/26/564118226.db2.gz XCXZTCOTYMWLML-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN O=c1ccc(-c2cccc3ccccc32)nn1Cc1ccccc1F ZINC000007595943 564118919 /nfs/dbraw/zinc/11/89/19/564118919.db2.gz QEUJRGWPNSOBLK-UHFFFAOYSA-N 0 0 330.362 4.251 50 0 EIAARN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@H]2c2cccnc2)o1 ZINC000252475387 564118996 /nfs/dbraw/zinc/11/89/96/564118996.db2.gz ZOBKBGDOCLCIIY-FHWLQOOXSA-N 0 0 338.451 4.484 50 0 EIAARN CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)CC2=CCCCC2)CC1 ZINC000252477230 564119026 /nfs/dbraw/zinc/11/90/26/564119026.db2.gz KJHJILQLBQUZFZ-WKILWMFISA-N 0 0 337.460 4.256 50 0 EIAARN COCc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 ZINC000252487480 564119396 /nfs/dbraw/zinc/11/93/96/564119396.db2.gz HWPUKDLKAACBFZ-UHFFFAOYSA-N 0 0 336.391 4.059 50 0 EIAARN CCN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000252511671 564120128 /nfs/dbraw/zinc/12/01/28/564120128.db2.gz JIFBHEAKSHKMJH-FUMNGEBKSA-N 0 0 338.426 4.205 50 0 EIAARN Cc1ccc([C@H]2CN(Cc3cc(-c4ccco4)on3)CCO2)c(C)c1 ZINC000170645416 564120181 /nfs/dbraw/zinc/12/01/81/564120181.db2.gz CZQFIWADVVRWGX-HXUWFJFHSA-N 0 0 338.407 4.125 50 0 EIAARN O=C(NCc1ccnc(-c2ccco2)c1)c1ccc(F)cc1Cl ZINC000225654557 564120202 /nfs/dbraw/zinc/12/02/02/564120202.db2.gz PCFDMGRBQDRRIR-UHFFFAOYSA-N 0 0 330.746 4.064 50 0 EIAARN COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)O1 ZINC000002173365 564120654 /nfs/dbraw/zinc/12/06/54/564120654.db2.gz ASCIIIYRFWDHMK-RIYZIHGNSA-N 0 0 348.185 4.347 50 0 EIAARN O=C1C(=Cc2ccccc2)NC(=NC2CCCCC2)N1c1ccccc1 ZINC000002179737 564120675 /nfs/dbraw/zinc/12/06/75/564120675.db2.gz NEAXEEKNHDEZHM-CAPFRKAQSA-N 0 0 345.446 4.353 50 0 EIAARN O=C(c1nccc2ccccc21)N(Cc1ccco1)Cc1cccnc1 ZINC000153574501 564120749 /nfs/dbraw/zinc/12/07/49/564120749.db2.gz VDJCKQWBIRBOOZ-UHFFFAOYSA-N 0 0 343.386 4.065 50 0 EIAARN CC[C@]1(c2ccccc2)O[C@@H](C[C@H](C)OC(C)=O)Nc2ccccc21 ZINC000252588640 564120837 /nfs/dbraw/zinc/12/08/37/564120837.db2.gz ADADRCVVEIDOTE-ONGXBYRLSA-N 0 0 339.435 4.450 50 0 EIAARN C[C@@H]1CCCc2sc3nc(NCc4ccccc4)n4ncnc4c3c21 ZINC000002201711 564120942 /nfs/dbraw/zinc/12/09/42/564120942.db2.gz HDDWOIDWZRVHKS-GFCCVEGCSA-N 0 0 349.463 4.391 50 0 EIAARN O=C(Cc1ccccc1)Nc1cc(NC[C@@H]2CCC=CO2)ccc1F ZINC000194586404 564121679 /nfs/dbraw/zinc/12/16/79/564121679.db2.gz JUHNOWSPNQRROT-KRWDZBQOSA-N 0 0 340.398 4.112 50 0 EIAARN COc1ccc(CCC(=O)OCc2cc(-c3ccccc3)on2)cc1 ZINC000007694620 564122009 /nfs/dbraw/zinc/12/20/09/564122009.db2.gz MVJGSMXBOMCYDX-UHFFFAOYSA-N 0 0 337.375 4.026 50 0 EIAARN COc1cccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000007706059 564122118 /nfs/dbraw/zinc/12/21/18/564122118.db2.gz BXLMZTYENUZUBY-LBPRGKRZSA-N 0 0 326.421 4.138 50 0 EIAARN Cc1ccc(C)c(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1 ZINC000007725910 564122311 /nfs/dbraw/zinc/12/23/11/564122311.db2.gz HANIXLXCOVSEOE-UHFFFAOYSA-N 0 0 338.407 4.130 50 0 EIAARN COc1ccc(CC(=O)N(C)c2ccc3ccccc3c2)c(OC)c1 ZINC000007737639 564122437 /nfs/dbraw/zinc/12/24/37/564122437.db2.gz PFTVGHGDKLIWLR-UHFFFAOYSA-N 0 0 335.403 4.063 50 0 EIAARN CC(=O)NCCc1ccc(-c2csc(-c3cccs3)n2)cc1 ZINC000007736645 564122455 /nfs/dbraw/zinc/12/24/55/564122455.db2.gz BLZLGVJKLMRBGS-UHFFFAOYSA-N 0 0 328.462 4.217 50 0 EIAARN Fc1cc2c(c(F)c1)[C@H](Nc1nc(-c3ccccc3)ns1)CO2 ZINC000681237463 564122502 /nfs/dbraw/zinc/12/25/02/564122502.db2.gz CFDNPUDHPFVDME-GFCCVEGCSA-N 0 0 331.347 4.029 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000007738330 564122512 /nfs/dbraw/zinc/12/25/12/564122512.db2.gz CBLTUEPXQQAWGS-UHFFFAOYSA-N 0 0 346.390 4.016 50 0 EIAARN CC(C)(C)c1ccc(OCCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000007777521 564123020 /nfs/dbraw/zinc/12/30/20/564123020.db2.gz ZKHNMVNOIZLWNF-UHFFFAOYSA-N 0 0 341.407 4.120 50 0 EIAARN Cc1cccc(OCCC(=O)OCc2ncc(-c3ccccc3)o2)c1 ZINC000007778109 564123050 /nfs/dbraw/zinc/12/30/50/564123050.db2.gz QMKWUUWDYMODAT-UHFFFAOYSA-N 0 0 337.375 4.162 50 0 EIAARN O=C(Cc1ccccc1F)NCC(c1ccccc1)c1ccccc1 ZINC000007798705 564123440 /nfs/dbraw/zinc/12/34/40/564123440.db2.gz CBYSOYFZEHEIKT-UHFFFAOYSA-N 0 0 333.406 4.317 50 0 EIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000007814068 564123976 /nfs/dbraw/zinc/12/39/76/564123976.db2.gz QIELKCJJAIYDRZ-WBMJQRKESA-N 0 0 347.867 4.461 50 0 EIAARN C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(Cl)cc1F ZINC000007878419 564124351 /nfs/dbraw/zinc/12/43/51/564124351.db2.gz QOMBCYYQVCANRF-JTQLQIEISA-N 0 0 338.835 4.098 50 0 EIAARN O=C1c2ccccc2N[C@H](c2ccccc2C(F)(F)F)N1C1CC1 ZINC000007886040 564124407 /nfs/dbraw/zinc/12/44/07/564124407.db2.gz KIAKROHFOHYXAQ-INIZCTEOSA-N 0 0 332.325 4.434 50 0 EIAARN O=C(COc1ccc(F)cc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007890133 564124438 /nfs/dbraw/zinc/12/44/38/564124438.db2.gz KSEBEQCAWFPHLA-LJQANCHMSA-N 0 0 341.407 4.172 50 0 EIAARN O=C(COc1ccccc1F)N[C@@H](c1cccs1)c1ccccc1 ZINC000007889227 564124453 /nfs/dbraw/zinc/12/44/53/564124453.db2.gz VMUSVYXWMLASHS-LJQANCHMSA-N 0 0 341.407 4.172 50 0 EIAARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(F)c(F)c1 ZINC000007903212 564124998 /nfs/dbraw/zinc/12/49/98/564124998.db2.gz OWAOKXVUAJZFIL-VIFPVBQESA-N 0 0 349.406 4.132 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 ZINC000007910508 564125069 /nfs/dbraw/zinc/12/50/69/564125069.db2.gz NLFOQHPOHHZQAR-UHFFFAOYSA-N 0 0 342.826 4.336 50 0 EIAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1 ZINC000007909685 564125075 /nfs/dbraw/zinc/12/50/75/564125075.db2.gz FXOIQELZGMXDDO-MRXNPFEDSA-N 0 0 337.448 4.072 50 0 EIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000015894335 564129012 /nfs/dbraw/zinc/12/90/12/564129012.db2.gz ICMWWNHDUZJFDW-OOIZHRTASA-N 0 0 332.484 4.401 50 0 in-vitro EIAARN c1cnc2nc(-c3cccc(-c4ccc5cccnc5n4)n3)ccc2c1 ZINC000019909757 564129071 /nfs/dbraw/zinc/12/90/71/564129071.db2.gz GCWQHGOOKSHNBK-UHFFFAOYSA-N 0 0 335.370 4.302 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C=CCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000019911695 564129072 /nfs/dbraw/zinc/12/90/72/564129072.db2.gz NYAVTQHXZMLSRY-TWTNYRSZSA-N 0 0 328.452 4.084 50 0 EIAARN Cc1ccc(-n2cnc3c2ncnc3N(C)Cc2ccccc2)c(C)c1 ZINC000019926040 564129096 /nfs/dbraw/zinc/12/90/96/564129096.db2.gz URGYPWQKXYWKKB-UHFFFAOYSA-N 0 0 343.434 4.069 50 0 EIAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@@H]3C[C@H](O)[C@H]2C1 ZINC000036370828 564129180 /nfs/dbraw/zinc/12/91/80/564129180.db2.gz JPOWGZUAPKSQIG-IPQNIRAVSA-N 0 0 334.500 4.322 50 0 EIAARN CC(C)Oc1c(I)cc(Cl)c2cccnc21 ZINC000095837034 564129482 /nfs/dbraw/zinc/12/94/82/564129482.db2.gz HWOIDUODKSOSJP-UHFFFAOYSA-N 0 0 347.583 4.280 50 0 EIAARN CN1CCN([C@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000221529583 564129591 /nfs/dbraw/zinc/12/95/91/564129591.db2.gz DXJSURSEJATFMU-SFHVURJKSA-N 0 0 346.883 4.130 50 0 EIAARN CC(C)C(=O)c1ccc([C@H](C)C(=O)N(C)[C@@H](C)c2ccccn2)cc1 ZINC000253392829 564130462 /nfs/dbraw/zinc/13/04/62/564130462.db2.gz HUXPXURGUJLMAZ-HOTGVXAUSA-N 0 0 338.451 4.243 50 0 EIAARN Cc1ccc2c(c1)N(C(=O)CCc1ncc(C(C)(C)C)o1)CCCO2 ZINC000253398228 564130568 /nfs/dbraw/zinc/13/05/68/564130568.db2.gz QPDUGBWBJSTEKR-UHFFFAOYSA-N 0 0 342.439 4.029 50 0 EIAARN COc1ccc(Cl)c2c1N(C(=O)c1oc(C3CC3)nc1C)CCC2 ZINC000253419555 564130974 /nfs/dbraw/zinc/13/09/74/564130974.db2.gz PHCXOUGAWNPGOF-UHFFFAOYSA-N 0 0 346.814 4.115 50 0 EIAARN O=C(Nc1ccc(-c2ccco2)cc1F)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000253432003 564131766 /nfs/dbraw/zinc/13/17/66/564131766.db2.gz ILWULWURFSINEV-KBXCAEBGSA-N 0 0 344.386 4.165 50 0 EIAARN Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@@H]2c2csc(C)n2)o1 ZINC000253433210 564131869 /nfs/dbraw/zinc/13/18/69/564131869.db2.gz UADZOYVIEAXKTJ-YVEFUNNKSA-N 0 0 347.484 4.221 50 0 EIAARN CC(C)CCNc1ncnc2c3cc4c(nc3oc21)CC(C)(C)OC4 ZINC000002334823 564132383 /nfs/dbraw/zinc/13/23/83/564132383.db2.gz HULPFYZOMCPIHL-UHFFFAOYSA-N 0 0 340.427 4.080 50 0 EIAARN CC[C@@H](C(=O)NC[C@@H](OC)c1cc2ccccc2o1)c1ccccc1 ZINC000253471953 564132639 /nfs/dbraw/zinc/13/26/39/564132639.db2.gz GSMVVIURQNOOSA-YLJYHZDGSA-N 0 0 337.419 4.430 50 0 EIAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000002399299 564134512 /nfs/dbraw/zinc/13/45/12/564134512.db2.gz LSTZACRXYJCYDJ-NTKDMRAZSA-N 0 0 347.395 4.164 50 0 EIAARN COc1ccc2oc(=O)c(C(=O)Nc3ccc4ccccc4c3)cc2c1 ZINC000011565763 564134976 /nfs/dbraw/zinc/13/49/76/564134976.db2.gz XIUNGCUUZGHXNW-UHFFFAOYSA-N 0 0 345.354 4.207 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)cc1C ZINC000007942225 564135319 /nfs/dbraw/zinc/13/53/19/564135319.db2.gz DRMPBVVIRXMQSG-FQEVSTJZSA-N 0 0 334.419 4.206 50 0 EIAARN Cc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1Cl ZINC000007945328 564135492 /nfs/dbraw/zinc/13/54/92/564135492.db2.gz IQJYUXIQFMEIFM-UHFFFAOYSA-N 0 0 347.827 4.331 50 0 EIAARN c1cc(-c2noc(CN3CCc4sccc4[C@@H]3C3CC3)n2)cs1 ZINC000012758502 564135508 /nfs/dbraw/zinc/13/55/08/564135508.db2.gz WOFRAWJSHIIYHY-INIZCTEOSA-N 0 0 343.477 4.369 50 0 EIAARN Cc1cccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012761399 564135519 /nfs/dbraw/zinc/13/55/19/564135519.db2.gz DXAAPWOZEKNUAE-VQFGERMISA-N 0 0 349.430 4.143 50 0 EIAARN Cc1ccc(Oc2ccccc2/C=C2\SC(=O)N(C)C2=O)cc1 ZINC000012954874 564135721 /nfs/dbraw/zinc/13/57/21/564135721.db2.gz CKTKVWULWOADMZ-WJDWOHSUSA-N 0 0 325.389 4.453 50 0 EIAARN Cc1ccc(/C=C/C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)c1 ZINC000012981004 564135819 /nfs/dbraw/zinc/13/58/19/564135819.db2.gz MMOHWORMGYDICA-VAWYXSNFSA-N 0 0 345.446 4.161 50 0 EIAARN CSc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000013038972 564135949 /nfs/dbraw/zinc/13/59/49/564135949.db2.gz GCCSVEOZXYVFCQ-UHFFFAOYSA-N 0 0 334.872 4.132 50 0 EIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2-c2nnc(C)o2)C1(C)C ZINC000078912578 564137390 /nfs/dbraw/zinc/13/73/90/564137390.db2.gz KMGDCBDJKGAFHV-GDBMZVCRSA-N 0 0 325.412 4.222 50 0 EIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2-c2nnc(C)o2)C1(C)C ZINC000078912569 564137419 /nfs/dbraw/zinc/13/74/19/564137419.db2.gz KMGDCBDJKGAFHV-ZBFHGGJFSA-N 0 0 325.412 4.222 50 0 EIAARN Cc1c2ccccc2sc1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000079107536 564137956 /nfs/dbraw/zinc/13/79/56/564137956.db2.gz YDPCAOXOHDELFU-BXUZGUMPSA-N 0 0 329.421 4.045 50 0 EIAARN CC(C)(C)c1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)cc1 ZINC000390827154 564138490 /nfs/dbraw/zinc/13/84/90/564138490.db2.gz FFZOJEDBOLMOQJ-UHFFFAOYSA-N 0 0 345.446 4.371 50 0 EIAARN CC[C@@H](C(=O)NC1(c2cccs2)CCOCC1)c1ccccc1 ZINC000390828549 564138558 /nfs/dbraw/zinc/13/85/58/564138558.db2.gz RVAAZSIONKMSKH-MRXNPFEDSA-N 0 0 329.465 4.064 50 0 EIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)[C@@H]1CCc2ccccc2O1 ZINC000390831699 564138672 /nfs/dbraw/zinc/13/86/72/564138672.db2.gz UGMSRCBQEDNFAW-AEFFLSMTSA-N 0 0 347.524 4.293 50 0 EIAARN CC[C@H](C)C(=O)N1CCC[C@H](c2nc([C@@H]3CCC[C@H](C)C3)no2)C1 ZINC000390833112 564138739 /nfs/dbraw/zinc/13/87/39/564138739.db2.gz CFKJAJQYJDHQNB-JONQDZQNSA-N 0 0 333.476 4.115 50 0 EIAARN Fc1ccc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)nc1 ZINC000390833190 564138746 /nfs/dbraw/zinc/13/87/46/564138746.db2.gz DGEDJEREOSASHC-LJQANCHMSA-N 0 0 341.817 4.343 50 0 EIAARN O=C(c1cc(-c2ccccn2)no1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000390834388 564138921 /nfs/dbraw/zinc/13/89/21/564138921.db2.gz XUCICBKQUYQQDP-FLVLSHQESA-N 0 0 345.402 4.055 50 0 EIAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCCc2cccc(O)c21 ZINC000155603764 564139214 /nfs/dbraw/zinc/13/92/14/564139214.db2.gz YBAYDOUBRAVMOX-UHFFFAOYSA-N 0 0 337.350 4.384 50 0 EIAARN NC(=O)c1ccc(NC(=O)N2CCCC[C@H]3CCCC[C@H]32)cc1Cl ZINC000095457601 564140623 /nfs/dbraw/zinc/14/06/23/564140623.db2.gz RWJVVTXHHDJMIO-MLGOLLRUSA-N 0 0 349.862 4.016 50 0 EIAARN C[C@H]1C[C@H](CNC(=O)Nc2ccccc2N(C)C2CCCC2)CCO1 ZINC000095458254 564140665 /nfs/dbraw/zinc/14/06/65/564140665.db2.gz FMUJCOXACXOINZ-JKSUJKDBSA-N 0 0 345.487 4.002 50 0 EIAARN CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cc(F)ccc2F)CCO1 ZINC000095465796 564141020 /nfs/dbraw/zinc/14/10/20/564141020.db2.gz JMBQOVQXTUNXCD-XJKSGUPXSA-N 0 0 326.387 4.070 50 0 EIAARN c1c[nH]c([C@@H]2CCCN2c2ncnc3scc(-c4ccccc4)c32)n1 ZINC000095467587 564141160 /nfs/dbraw/zinc/14/11/60/564141160.db2.gz SOJWTOOIIQCOOG-HNNXBMFYSA-N 0 0 347.447 4.423 50 0 EIAARN O=C(c1noc2c1CCCCC2)N1CCC(Cc2ccccc2)CC1 ZINC000095472921 564141284 /nfs/dbraw/zinc/14/12/84/564141284.db2.gz QZRSGOHWFYFFLH-UHFFFAOYSA-N 0 0 338.451 4.038 50 0 EIAARN Cc1nc(C(=O)NCc2cccnc2)c(-c2ccccc2Cl)s1 ZINC000095478700 564141527 /nfs/dbraw/zinc/14/15/27/564141527.db2.gz UVXASENNXOFKFO-UHFFFAOYSA-N 0 0 343.839 4.097 50 0 EIAARN Cc1nc2ccccc2n1C1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000279887198 564141610 /nfs/dbraw/zinc/14/16/10/564141610.db2.gz XXHZLMINRQMXMS-UHFFFAOYSA-N 0 0 345.512 4.040 50 0 EIAARN C[C@H](CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccsc1 ZINC000125344615 564141817 /nfs/dbraw/zinc/14/18/17/564141817.db2.gz GDMSEECWCKZBHA-JLSDUUJJSA-N 0 0 344.480 4.071 50 0 EIAARN CCOC(=O)c1sc(Nc2cccc(C(F)(F)F)c2)nc1C ZINC000095929467 564141926 /nfs/dbraw/zinc/14/19/26/564141926.db2.gz XURCMOMKHXXUOM-UHFFFAOYSA-N 0 0 330.331 4.391 50 0 EIAARN CC[C@H]1CN(CC(=O)NCc2ccc(C)cc2)c2ccccc2S1 ZINC000021093927 564142252 /nfs/dbraw/zinc/14/22/52/564142252.db2.gz PTUYLAVLZZYTJL-KRWDZBQOSA-N 0 0 340.492 4.002 50 0 EIAARN O=C(Oc1ccccc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000095949835 564142325 /nfs/dbraw/zinc/14/23/25/564142325.db2.gz KTTVOZUZGFSXQY-AWEZNQCLSA-N 0 0 338.432 4.118 50 0 EIAARN CC(C)(C)c1cn2nc(NCc3cc4ccccc4o3)sc2n1 ZINC000095951820 564142395 /nfs/dbraw/zinc/14/23/95/564142395.db2.gz VRMHCILWOBCVDO-UHFFFAOYSA-N 0 0 326.425 4.447 50 0 EIAARN Cc1nc(NC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)oc1C ZINC000095955707 564142484 /nfs/dbraw/zinc/14/24/84/564142484.db2.gz NBVAGBXVWFSRST-BONVTDFDSA-N 0 0 329.400 4.204 50 0 EIAARN C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccs1 ZINC000095960128 564142708 /nfs/dbraw/zinc/14/27/08/564142708.db2.gz IFPSZOXRCFXPIK-VIFPVBQESA-N 0 0 336.356 4.182 50 0 EIAARN C[C@H](c1cccnc1)N(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000095962075 564142761 /nfs/dbraw/zinc/14/27/61/564142761.db2.gz GPKXMOPMHAKDCH-CYBMUJFWSA-N 0 0 349.409 4.480 50 0 EIAARN C[C@@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1cccnc1 ZINC000095965442 564142935 /nfs/dbraw/zinc/14/29/35/564142935.db2.gz DEMLCVMGBJMTSE-CQSZACIVSA-N 0 0 327.403 4.046 50 0 EIAARN Cc1nnc(CSCc2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC000095965629 564142946 /nfs/dbraw/zinc/14/29/46/564142946.db2.gz GBTKBMVRIXFAOW-UHFFFAOYSA-N 0 0 339.420 4.064 50 0 EIAARN CCc1cccnc1NCc1cc(Br)c(OC)s1 ZINC000095973202 564143486 /nfs/dbraw/zinc/14/34/86/564143486.db2.gz GOAOMNIKSNXATR-UHFFFAOYSA-N 0 0 327.247 4.089 50 0 EIAARN CCCOc1cccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000095984721 564143893 /nfs/dbraw/zinc/14/38/93/564143893.db2.gz WWARQCTVYDOQEV-QGZVFWFLSA-N 0 0 342.443 4.184 50 0 EIAARN Cc1noc(C)c1CN[C@H](C)c1ccc(Oc2cccnc2)c(F)c1 ZINC000095985333 564143958 /nfs/dbraw/zinc/14/39/58/564143958.db2.gz RZCWEOCKSBCQAW-GFCCVEGCSA-N 0 0 341.386 4.469 50 0 EIAARN Cc1sc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1-c1ccc(F)cc1 ZINC000095992231 564144172 /nfs/dbraw/zinc/14/41/72/564144172.db2.gz VBXHNTFCGKOVBG-TXEJJXNPSA-N 0 0 333.428 4.112 50 0 EIAARN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccccc2Cl)no1 ZINC000095998841 564144318 /nfs/dbraw/zinc/14/43/18/564144318.db2.gz WPJGLMPFZRYDET-AWEZNQCLSA-N 0 0 334.807 4.181 50 0 EIAARN FC1=CCCN(Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000096003653 564144476 /nfs/dbraw/zinc/14/44/76/564144476.db2.gz LTFNQNIFYOPVCG-UHFFFAOYSA-N 0 0 325.431 4.284 50 0 EIAARN CCOC[C@@H]1CCN(C(=O)Nc2sc(-c3ccccc3)nc2C)C1 ZINC000096010717 564144680 /nfs/dbraw/zinc/14/46/80/564144680.db2.gz BYRLPHWIQLTXLY-CQSZACIVSA-N 0 0 345.468 4.009 50 0 EIAARN Cc1ccc(C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1C ZINC000096024776 564144868 /nfs/dbraw/zinc/14/48/68/564144868.db2.gz JIYVXBHFXSUOPK-UHFFFAOYSA-N 0 0 344.842 4.035 50 0 EIAARN O=C(/C=C/c1ccoc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000096103574 564145285 /nfs/dbraw/zinc/14/52/85/564145285.db2.gz AWEUSGBSMDXEDJ-VMPITWQZSA-N 0 0 346.342 4.290 50 0 EIAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)[C@H]1CC=CCC1 ZINC000096119838 564145533 /nfs/dbraw/zinc/14/55/33/564145533.db2.gz VNMYIXXZXYOKLM-LBPRGKRZSA-N 0 0 331.462 4.013 50 0 EIAARN Cc1cc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)n(C)n1 ZINC000096182536 564145859 /nfs/dbraw/zinc/14/58/59/564145859.db2.gz HRMLETPQNLYBHN-UHFFFAOYSA-N 0 0 331.759 4.020 50 0 EIAARN Cc1ccc(/C=C\C(=O)Nc2ccccc2SC(=O)N(C)C)s1 ZINC000096257526 564146197 /nfs/dbraw/zinc/14/61/97/564146197.db2.gz QYGFJUVVQSOVIC-KHPPLWFESA-N 0 0 346.477 4.482 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)C1CC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276013 564146247 /nfs/dbraw/zinc/14/62/47/564146247.db2.gz YXYSWJAZRSYNEZ-QMTHXVAHSA-N 0 0 333.819 4.003 50 0 EIAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccccc1F)N1CCCC1 ZINC000096276853 564146289 /nfs/dbraw/zinc/14/62/89/564146289.db2.gz CAXRTGAUOGYTCV-KRWDZBQOSA-N 0 0 336.410 4.451 50 0 EIAARN CCCN(CCc1nc(-c2cccc(C)c2)no1)C(=O)C1CCCC1 ZINC000096278109 564146307 /nfs/dbraw/zinc/14/63/07/564146307.db2.gz IXGSDQWYOXEGGT-UHFFFAOYSA-N 0 0 341.455 4.016 50 0 EIAARN O=C(C=Cc1nc2ccccc2o1)OCC(=O)c1cc2ccccc2o1 ZINC000096297703 564146603 /nfs/dbraw/zinc/14/66/03/564146603.db2.gz PSYOLZRLQQBAMX-KTKRTIGZSA-N 0 0 347.326 4.013 50 0 EIAARN c1nn(-c2ccccc2)c2ncnc(N[C@H]3CCCc4ccccc43)c12 ZINC000096346859 564146893 /nfs/dbraw/zinc/14/68/93/564146893.db2.gz FMILEFMXRBJALL-IBGZPJMESA-N 0 0 341.418 4.305 50 0 EIAARN O=C(NCc1cccc(Oc2ccccn2)c1)c1ccccc1Cl ZINC000096382577 564146911 /nfs/dbraw/zinc/14/69/11/564146911.db2.gz SHMBSARLCJCAMR-UHFFFAOYSA-N 0 0 338.794 4.457 50 0 EIAARN CO[C@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1cccc(F)c1 ZINC000096388350 564146979 /nfs/dbraw/zinc/14/69/79/564146979.db2.gz QERLXDBKJFPAFA-VEGGFIAOSA-N 0 0 345.439 4.065 50 0 EIAARN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C1(C)CCOCC1 ZINC000096403241 564147164 /nfs/dbraw/zinc/14/71/64/564147164.db2.gz PMPYQIWMQVCNIJ-CQSZACIVSA-N 0 0 344.480 4.112 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000096410597 564147629 /nfs/dbraw/zinc/14/76/29/564147629.db2.gz JEAQUYLJUZXCRJ-UHFFFAOYSA-N 0 0 341.436 4.028 50 0 EIAARN O=C(c1c[nH]c2ccc(F)cc21)N1CCC(OC2CCCCC2)CC1 ZINC000096476231 564148404 /nfs/dbraw/zinc/14/84/04/564148404.db2.gz JSBILMODWCTOLM-UHFFFAOYSA-N 0 0 344.430 4.261 50 0 EIAARN Cc1nnc(COC(=O)/C=C\c2sc3ccccc3c2Cl)o1 ZINC000096758890 564148936 /nfs/dbraw/zinc/14/89/36/564148936.db2.gz WBYQVVYJRHFPFJ-SREVYHEPSA-N 0 0 334.784 4.003 50 0 EIAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@@H]1CCCS1 ZINC000097021727 564149158 /nfs/dbraw/zinc/14/91/58/564149158.db2.gz HHNILSYVIMOIAD-OLZOCXBDSA-N 0 0 341.546 4.173 50 0 EIAARN Cc1ccn(-c2ccccc2N[C@H](C)c2ccc([S@](C)=O)cc2)n1 ZINC000097038707 564149283 /nfs/dbraw/zinc/14/92/83/564149283.db2.gz IYDINLAJXPDRFX-OYLFLEFRSA-N 0 0 339.464 4.091 50 0 EIAARN CC(C)N(C)c1cccc(NC2CCN(Cc3cscn3)CC2)c1 ZINC000097084620 564149383 /nfs/dbraw/zinc/14/93/83/564149383.db2.gz QMKFDMICCVXAFF-UHFFFAOYSA-N 0 0 344.528 4.064 50 0 EIAARN COc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1 ZINC000097165254 564149490 /nfs/dbraw/zinc/14/94/90/564149490.db2.gz JNXSBWRGXYEPOT-SFHVURJKSA-N 0 0 346.386 4.280 50 0 EIAARN C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cn1 ZINC000225551919 564149704 /nfs/dbraw/zinc/14/97/04/564149704.db2.gz REGRFAAJAQGOST-ZWNOBZJWSA-N 0 0 344.381 4.049 50 0 EIAARN CCn1c2ccccc2n2nc(C)c(C(=S)Nc3ccccc3)c12 ZINC000002482553 564149836 /nfs/dbraw/zinc/14/98/36/564149836.db2.gz NTKYAZZEWBMVND-UHFFFAOYSA-N 0 0 334.448 4.405 50 0 EIAARN O=C(/C=C/c1ccccc1)NCc1ccc(Oc2nccs2)cc1 ZINC000225646861 564150125 /nfs/dbraw/zinc/15/01/25/564150125.db2.gz PEZYZWVOSHWVCA-DHZHZOJOSA-N 0 0 336.416 4.265 50 0 EIAARN O=C(NCc1cncc(-c2cccs2)c1)c1c(F)cccc1F ZINC000225666006 564150199 /nfs/dbraw/zinc/15/01/99/564150199.db2.gz IPXGXGYCUVEFTA-UHFFFAOYSA-N 0 0 330.359 4.018 50 0 EIAARN Cc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000002512750 564150278 /nfs/dbraw/zinc/15/02/78/564150278.db2.gz IADPVCZOAZKGAG-UHFFFAOYSA-N 0 0 348.490 4.156 50 0 EIAARN O=C(NC[C@H](O)c1csc2ccccc21)c1c(F)cccc1Cl ZINC000225692834 564150299 /nfs/dbraw/zinc/15/02/99/564150299.db2.gz KBWJVOCPCBCCKG-AWEZNQCLSA-N 0 0 349.814 4.157 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)C(=S)NCc2ccccc2)cc1 ZINC000002534549 564150448 /nfs/dbraw/zinc/15/04/48/564150448.db2.gz RHRUCRMHVLFLEP-CQSZACIVSA-N 0 0 326.465 4.256 50 0 EIAARN Cc1occc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000055646987 564150510 /nfs/dbraw/zinc/15/05/10/564150510.db2.gz XVGDBBAKMYFEKR-CQSZACIVSA-N 0 0 336.391 4.053 50 0 EIAARN CCCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21 ZINC000002601769 564151109 /nfs/dbraw/zinc/15/11/09/564151109.db2.gz IGESIESSZHZJCQ-UHFFFAOYSA-N 0 0 341.480 4.261 50 0 EIAARN COc1ccc2[nH]c(SCC(=O)c3c[nH]c4ccccc43)nc2c1 ZINC000002618611 564151146 /nfs/dbraw/zinc/15/11/46/564151146.db2.gz IHWQNRUYOOYKMS-UHFFFAOYSA-N 0 0 337.404 4.028 50 0 EIAARN CCc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(C)n2)cc1 ZINC000002622935 564151257 /nfs/dbraw/zinc/15/12/57/564151257.db2.gz YPKPBWWSNROXKL-AWEZNQCLSA-N 0 0 329.469 4.084 50 0 EIAARN COc1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1OC ZINC000002626733 564151363 /nfs/dbraw/zinc/15/13/63/564151363.db2.gz ZWHLXBTXXPKTAC-UHFFFAOYSA-N 0 0 336.844 4.475 50 0 EIAARN C[C@@H](Sc1nnc2ccccn21)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002627746 564151386 /nfs/dbraw/zinc/15/13/86/564151386.db2.gz BAZGFMYMIVQKRU-CYBMUJFWSA-N 0 0 339.464 4.390 50 0 EIAARN COc1ccccc1CCC(=O)Nc1nc2c(cccc2C)s1 ZINC000002628784 564151400 /nfs/dbraw/zinc/15/14/00/564151400.db2.gz XGGMHMORSXFSFP-UHFFFAOYSA-N 0 0 326.421 4.185 50 0 EIAARN C[C@@H](OC(=O)c1ccccc1O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002635807 564151550 /nfs/dbraw/zinc/15/15/50/564151550.db2.gz KQUMGWHTLBXILB-CYBMUJFWSA-N 0 0 326.392 4.118 50 0 EIAARN COc1ccccc1-n1cnnc1SCc1ccccc1Cl ZINC000002641456 564151692 /nfs/dbraw/zinc/15/16/92/564151692.db2.gz QYLRTLVBBFTMGC-UHFFFAOYSA-N 0 0 331.828 4.222 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cccnc1SC ZINC000002662493 564152051 /nfs/dbraw/zinc/15/20/51/564152051.db2.gz FXXALLQXMHEMBX-UHFFFAOYSA-N 0 0 330.453 4.362 50 0 EIAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 ZINC000002717743 564152198 /nfs/dbraw/zinc/15/21/98/564152198.db2.gz UKWRZCDQDPYANI-ZDUSSCGKSA-N 0 0 348.431 4.374 50 0 EIAARN Cc1[nH]c2ccccc2c1SCCNC(=O)Cc1cccc(C)c1 ZINC000002721122 564152253 /nfs/dbraw/zinc/15/22/53/564152253.db2.gz YTZCDJDWIIYLMP-UHFFFAOYSA-N 0 0 338.476 4.236 50 0 EIAARN CCCCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000002721409 564152280 /nfs/dbraw/zinc/15/22/80/564152280.db2.gz UJUILCFCFTVCHK-UHFFFAOYSA-N 0 0 335.451 4.117 50 0 EIAARN S=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCCCCC1 ZINC000002806774 564152776 /nfs/dbraw/zinc/15/27/76/564152776.db2.gz KAXNBPJLINSBIE-UHFFFAOYSA-N 0 0 348.903 4.158 50 0 EIAARN CCCc1cc(=O)[nH]c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000002888421 564152953 /nfs/dbraw/zinc/15/29/53/564152953.db2.gz IMHDNKYWRBULML-UHFFFAOYSA-N 0 0 331.725 4.138 50 0 EIAARN Cc1ccc(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)cc1C ZINC000002908301 564153014 /nfs/dbraw/zinc/15/30/14/564153014.db2.gz HALPTRGKJCBJEL-UHFFFAOYSA-N 0 0 345.472 4.035 50 0 EIAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C(C)C)CO2 ZINC000057140137 564153285 /nfs/dbraw/zinc/15/32/85/564153285.db2.gz OUGYBRNJTHBBAG-UHFFFAOYSA-N 0 0 335.403 4.329 50 0 biogenic EIAARN O=C(Cc1ccc(F)cc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057129684 564153305 /nfs/dbraw/zinc/15/33/05/564153305.db2.gz VGROWMXEGGBPOT-UHFFFAOYSA-N 0 0 342.801 4.088 50 0 EIAARN Cc1cc(=O)oc2c1ccc1c2CN(CCC2=CCCCC2)CO1 ZINC000057134895 564153306 /nfs/dbraw/zinc/15/33/06/564153306.db2.gz HOGPRVYYBLRUPD-UHFFFAOYSA-N 0 0 325.408 4.144 50 0 EIAARN Cc1c(C)c(=O)oc2c1ccc1c2CN(C2CCCCCC2)CO1 ZINC000057405841 564153945 /nfs/dbraw/zinc/15/39/45/564153945.db2.gz HXYDQURRIJSFCL-UHFFFAOYSA-N 0 0 327.424 4.285 50 0 EIAARN CN(Cc1ccccc1)C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057413307 564154192 /nfs/dbraw/zinc/15/41/92/564154192.db2.gz RPADUJQQWOXETI-UHFFFAOYSA-N 0 0 325.799 4.002 50 0 EIAARN Cc1cccc(CCNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000057413562 564154202 /nfs/dbraw/zinc/15/42/02/564154202.db2.gz PSTOIKJPXGNYDU-UHFFFAOYSA-N 0 0 339.826 4.011 50 0 EIAARN CCOc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000057416174 564154218 /nfs/dbraw/zinc/15/42/18/564154218.db2.gz MDGRSDCCZBCPPR-UHFFFAOYSA-N 0 0 328.799 4.150 50 0 EIAARN COc1cccc(-c2cc(C(=O)NCc3ccc(C(C)C)cc3)[nH]n2)c1 ZINC000057413771 564154222 /nfs/dbraw/zinc/15/42/22/564154222.db2.gz UDYUCVNTTWQOTK-UHFFFAOYSA-N 0 0 349.434 4.139 50 0 EIAARN Cc1ccccc1NCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O ZINC000003015070 564154395 /nfs/dbraw/zinc/15/43/95/564154395.db2.gz XRZBRFLOEPAALP-YBEGLDIGSA-N 0 0 342.395 4.240 50 0 EIAARN CCN(CC)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC000057498065 564154541 /nfs/dbraw/zinc/15/45/41/564154541.db2.gz UAXBMAKVYSUMTM-UHFFFAOYSA-N 0 0 347.462 4.389 50 0 EIAARN CCc1nc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2nc1CC ZINC000003033902 564154551 /nfs/dbraw/zinc/15/45/51/564154551.db2.gz LIDFDDYZYWYRSE-CXAGYDPISA-N 0 0 325.456 4.063 50 0 EIAARN C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057503960 564154585 /nfs/dbraw/zinc/15/45/85/564154585.db2.gz YCJRDYBPRZZQLJ-FZKQIMNGSA-N 0 0 328.843 4.011 50 0 EIAARN O=C(Nc1ccccc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 ZINC000003116993 564155260 /nfs/dbraw/zinc/15/52/60/564155260.db2.gz UBWWMUSJECLWCK-UHFFFAOYSA-N 0 0 331.240 4.316 50 0 EIAARN C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000030117318 564155434 /nfs/dbraw/zinc/15/54/34/564155434.db2.gz PVDJSQYYDZYRPV-LLVKDONJSA-N 0 0 325.305 4.264 50 0 EIAARN CC1CCN(C(=O)CSc2nc3cc(Cl)ccc3s2)CC1 ZINC000003232985 564156350 /nfs/dbraw/zinc/15/63/50/564156350.db2.gz DARMMNJURGFYIS-UHFFFAOYSA-N 0 0 340.901 4.300 50 0 EIAARN CSc1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000003236342 564156407 /nfs/dbraw/zinc/15/64/07/564156407.db2.gz ONXARZBWFHVARU-UHFFFAOYSA-N 0 0 337.448 4.463 50 0 EIAARN CSc1ncccc1C(=O)OCc1c(Cl)cccc1Cl ZINC000003249989 564156581 /nfs/dbraw/zinc/15/65/81/564156581.db2.gz QKRWEYNCPLZVLG-UHFFFAOYSA-N 0 0 328.220 4.467 50 0 EIAARN CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 ZINC000003262219 564156725 /nfs/dbraw/zinc/15/67/25/564156725.db2.gz BGSITNKISLFHFD-UHFFFAOYSA-N 0 0 345.826 4.188 50 0 EIAARN O=C(Cc1c(F)cccc1Cl)OCc1nc2ccccc2s1 ZINC000003279774 564156909 /nfs/dbraw/zinc/15/69/09/564156909.db2.gz UEYNXINZLZQOAI-UHFFFAOYSA-N 0 0 335.787 4.375 50 0 EIAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc2C1 ZINC000003283299 564156949 /nfs/dbraw/zinc/15/69/49/564156949.db2.gz CVSISZNCFRDVQO-GFCCVEGCSA-N 0 0 349.261 4.379 50 0 EIAARN S=C(NCCc1ccc(Cl)cc1Cl)NCc1ccccc1 ZINC000003291987 564157082 /nfs/dbraw/zinc/15/70/82/564157082.db2.gz JPVVZDRWWSABSC-UHFFFAOYSA-N 0 0 339.291 4.200 50 0 EIAARN CCn1c2ccccc2nc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000003293526 564157127 /nfs/dbraw/zinc/15/71/27/564157127.db2.gz BDCLWKPXSWDHJB-AWEZNQCLSA-N 0 0 339.464 4.026 50 0 EIAARN C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccccc1N1CCCCC1 ZINC000003323347 564157327 /nfs/dbraw/zinc/15/73/27/564157327.db2.gz BUYAWYMBNCMSQU-QGZVFWFLSA-N 0 0 349.478 4.067 50 0 EIAARN C[C@H]1Cc2ccccc2N1C(=O)CNc1ccccc1N1CCCCC1 ZINC000003323345 564157345 /nfs/dbraw/zinc/15/73/45/564157345.db2.gz BUYAWYMBNCMSQU-KRWDZBQOSA-N 0 0 349.478 4.067 50 0 EIAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(O)c(Cl)c1 ZINC000058063591 564157382 /nfs/dbraw/zinc/15/73/82/564157382.db2.gz DVZPHTBBGFRXLB-UHFFFAOYSA-N 0 0 327.767 4.216 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000030986850 564158297 /nfs/dbraw/zinc/15/82/97/564158297.db2.gz ASJVLBMXGNBBBI-DOMZBBRYSA-N 0 0 328.378 4.126 50 0 EIAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1F ZINC000003474761 564158341 /nfs/dbraw/zinc/15/83/41/564158341.db2.gz BFNGCPFEWDOSDK-UHFFFAOYSA-N 0 0 349.361 4.074 50 0 EIAARN O=C(c1ccc(C(F)(F)F)nc1)N1CC=C(c2ccccc2)CC1 ZINC000030997048 564158348 /nfs/dbraw/zinc/15/83/48/564158348.db2.gz GYFCKOGISUGEBH-UHFFFAOYSA-N 0 0 332.325 4.030 50 0 EIAARN O=C(Nc1ccccc1N1CCCCC1)c1cccc2cccnc21 ZINC000058391139 564158936 /nfs/dbraw/zinc/15/89/36/564158936.db2.gz GMKWJAZATQJBCD-UHFFFAOYSA-N 0 0 331.419 4.477 50 0 EIAARN Cc1cc([C@@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)no1 ZINC000031158738 564158982 /nfs/dbraw/zinc/15/89/82/564158982.db2.gz JZSALGZXWYCIOM-IBGZPJMESA-N 0 0 337.423 4.151 50 0 EIAARN Cc1ccccc1-n1c(/C=C\c2cccnc2)nc2ccccc2c1=O ZINC000031290933 564159287 /nfs/dbraw/zinc/15/92/87/564159287.db2.gz NTTMMVLSCIRXNE-SEYXRHQNSA-N 0 0 339.398 4.260 50 0 EIAARN Cc1ccc(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)n1C ZINC000031381378 564159356 /nfs/dbraw/zinc/15/93/56/564159356.db2.gz NJRHRBLWPRYZKN-QGZVFWFLSA-N 0 0 332.447 4.284 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)c[nH]3)s2)cs1 ZINC000031496576 564159465 /nfs/dbraw/zinc/15/94/65/564159465.db2.gz ZTMKRDWIDMDAMP-UHFFFAOYSA-N 0 0 337.857 4.092 50 0 EIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(Cl)sc1Cl ZINC000263095236 564159475 /nfs/dbraw/zinc/15/94/75/564159475.db2.gz IHRWTIOLORVNBX-MIMYLULJSA-N 0 0 334.268 4.273 50 0 EIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)nc2)o1 ZINC000031633190 564159605 /nfs/dbraw/zinc/15/96/05/564159605.db2.gz FAQQBCVEFMSXMN-GIYGXLGSSA-N 0 0 337.423 4.050 50 0 EIAARN Cc1cc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2[nH]1 ZINC000031721970 564159746 /nfs/dbraw/zinc/15/97/46/564159746.db2.gz NOFZAIGIDHVVTE-UHFFFAOYSA-N 0 0 336.416 4.430 50 0 EIAARN Cc1nc(SCc2nnc(C(C)(C)C)o2)[nH]c1Cc1ccccc1 ZINC000031839769 564160035 /nfs/dbraw/zinc/16/00/35/564160035.db2.gz GIZUBLSMJQGJPV-UHFFFAOYSA-N 0 0 342.468 4.282 50 0 EIAARN Cc1nc(-c2ccncc2)sc1C(=O)NC1CCCCCCC1 ZINC000031868049 564160082 /nfs/dbraw/zinc/16/00/82/564160082.db2.gz NPMDLTGPRMNXTG-UHFFFAOYSA-N 0 0 329.469 4.356 50 0 EIAARN C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000004073908 564160319 /nfs/dbraw/zinc/16/03/19/564160319.db2.gz UJVLDDZCTMKXJK-DHNHVGITSA-N 0 0 340.463 4.370 50 0 EIAARN O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000032398326 564161345 /nfs/dbraw/zinc/16/13/45/564161345.db2.gz NZAQHACVIOYEAD-QGZVFWFLSA-N 0 0 329.421 4.138 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000008007525 564162108 /nfs/dbraw/zinc/16/21/08/564162108.db2.gz PQKKIIVYGIKTIB-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN COc1ccc(C2(C[NH2+]C3CCC(C(=O)[O-])CC3)CCCCC2)cc1 ZINC000263494233 564162251 /nfs/dbraw/zinc/16/22/51/564162251.db2.gz SFEOHQUSNNFASD-UHFFFAOYSA-N 0 0 345.483 4.130 50 0 EIAARN Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)NC2CC2)cc1 ZINC000008039619 564162333 /nfs/dbraw/zinc/16/23/33/564162333.db2.gz GPRLCHJJCZYQCG-UHFFFAOYSA-N 0 0 349.459 4.002 50 0 EIAARN Cc1c(C(=O)Nc2ccccn2)sc2nc(-c3ccccc3)cn12 ZINC000008048358 564162377 /nfs/dbraw/zinc/16/23/77/564162377.db2.gz HPSCEVXMSYHUMQ-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN Cc1cc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c(C)s1 ZINC000008055325 564162428 /nfs/dbraw/zinc/16/24/28/564162428.db2.gz MLFYTHZODWUGJR-UHFFFAOYSA-N 0 0 344.480 4.001 50 0 EIAARN CSc1ccc(CN(C)Cc2nnc(-c3ccccc3)o2)cc1 ZINC000008066105 564162483 /nfs/dbraw/zinc/16/24/83/564162483.db2.gz QJQFGVDXFIPPQD-UHFFFAOYSA-N 0 0 325.437 4.091 50 0 EIAARN COc1ccc(C)cc1[C@H](C)NC(=O)Cc1c(F)cccc1Cl ZINC000008128286 564162961 /nfs/dbraw/zinc/16/29/61/564162961.db2.gz GHNZZQZSJSSHAJ-LBPRGKRZSA-N 0 0 335.806 4.216 50 0 EIAARN C[C@@H](NC(=O)COc1ccc(Cl)c2ccccc12)c1cccnc1 ZINC000008174879 564163299 /nfs/dbraw/zinc/16/32/99/564163299.db2.gz KKVWCNKPTXYARL-CYBMUJFWSA-N 0 0 340.810 4.144 50 0 EIAARN CCc1cccc2c(-c3csc(NC[C@@H]4CCCO4)n3)c[nH]c21 ZINC000008191938 564163474 /nfs/dbraw/zinc/16/34/74/564163474.db2.gz JUZHBVIUFMKMQV-ZDUSSCGKSA-N 0 0 327.453 4.445 50 0 EIAARN CCCc1nnc(NC(=O)c2oc3ccccc3c2COCC)s1 ZINC000008230037 564163674 /nfs/dbraw/zinc/16/36/74/564163674.db2.gz YVKLBMPIVIVBTI-UHFFFAOYSA-N 0 0 345.424 4.026 50 0 EIAARN Cc1cc(C)c(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000008266437 564163876 /nfs/dbraw/zinc/16/38/76/564163876.db2.gz FXTVLAQUPJRXSW-JKSUJKDBSA-N 0 0 334.891 4.407 50 0 EIAARN c1csc(-c2nc(CSc3nnnn3C3CCCC3)cs2)c1 ZINC000008346294 564164672 /nfs/dbraw/zinc/16/46/72/564164672.db2.gz VRPWCZSPCNXLTR-UHFFFAOYSA-N 0 0 349.510 4.266 50 0 EIAARN O=C(c1cnc(-c2ccccc2)nc1)N1CC=C(c2ccccc2)CC1 ZINC000066895812 564164708 /nfs/dbraw/zinc/16/47/08/564164708.db2.gz DJLVOEISYDITDQ-UHFFFAOYSA-N 0 0 341.414 4.073 50 0 EIAARN C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccco1 ZINC000008360386 564164727 /nfs/dbraw/zinc/16/47/27/564164727.db2.gz UKHAHJDIOLTTDJ-LBPRGKRZSA-N 0 0 340.404 4.084 50 0 EIAARN COc1ccc(-c2csc(C[C@H](C)n3cc(Cl)cn3)n2)cc1 ZINC000066938744 564164765 /nfs/dbraw/zinc/16/47/65/564164765.db2.gz GYMMWEYZDPFXGE-NSHDSACASA-N 0 0 333.844 4.472 50 0 EIAARN CC1=NN(c2ccc(C(=O)N(Cc3ccsc3)C3CC3)cc2)CC1 ZINC000067075108 564164931 /nfs/dbraw/zinc/16/49/31/564164931.db2.gz LDTBYODXIQPMEK-UHFFFAOYSA-N 0 0 339.464 4.139 50 0 EIAARN O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cccs1 ZINC000008395787 564165124 /nfs/dbraw/zinc/16/51/24/564165124.db2.gz JXDBXIHFCYCWBC-UHFFFAOYSA-N 0 0 348.427 4.203 50 0 EIAARN Cc1nc(S[C@@H](C)C(=O)NCc2ccco2)n(C2CCCC2)c1C ZINC000008424621 564165182 /nfs/dbraw/zinc/16/51/82/564165182.db2.gz OAIPCVGYANHCQF-AWEZNQCLSA-N 0 0 347.484 4.005 50 0 EIAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3c2C1 ZINC000008429209 564165287 /nfs/dbraw/zinc/16/52/87/564165287.db2.gz XHUPXVOUFLVTEN-LBPRGKRZSA-N 0 0 348.402 4.274 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1C ZINC000008434652 564165307 /nfs/dbraw/zinc/16/53/07/564165307.db2.gz YJPGBIHEJRCPGX-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN Cc1cccc(C)c1OC(=O)CSc1nnc(-c2cccs2)o1 ZINC000008587388 564165927 /nfs/dbraw/zinc/16/59/27/564165927.db2.gz ZYIJBEIEWBNORC-UHFFFAOYSA-N 0 0 346.433 4.113 50 0 EIAARN Cc1ccccc1CNC(=O)c1cc2cccc3c2n1C[C@H](C)S3 ZINC000008592987 564165949 /nfs/dbraw/zinc/16/59/49/564165949.db2.gz OQXRVWFAOHGPKY-AWEZNQCLSA-N 0 0 336.460 4.374 50 0 aggregator EIAARN Cc1noc(-c2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)n1 ZINC000008600963 564165971 /nfs/dbraw/zinc/16/59/71/564165971.db2.gz LPILSFOPZSIVAZ-UHFFFAOYSA-N 0 0 338.754 4.415 50 0 EIAARN Cc1noc(-c2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2)n1 ZINC000008600969 564165986 /nfs/dbraw/zinc/16/59/86/564165986.db2.gz HAGDQOFUUSRQJI-UHFFFAOYSA-N 0 0 338.754 4.415 50 0 EIAARN CCn1nc(C)c(CCN(C)C(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000008609061 564166059 /nfs/dbraw/zinc/16/60/59/564166059.db2.gz RNRPIPITYFQQTF-UHFFFAOYSA-N 0 0 348.878 4.188 50 0 EIAARN CC[C@H](C)NC(=O)c1sc2ncccc2c1-n1c(C)ccc1C ZINC000008610893 564166079 /nfs/dbraw/zinc/16/60/79/564166079.db2.gz QXLLAVMFQHMGFP-NSHDSACASA-N 0 0 327.453 4.232 50 0 EIAARN COc1ccccc1[C@H](C)NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000008718970 564166865 /nfs/dbraw/zinc/16/68/65/564166865.db2.gz KCDHHPHKEPZFCF-LBPRGKRZSA-N 0 0 337.341 4.134 50 0 EIAARN CCCc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)sc1C ZINC000008718359 564166874 /nfs/dbraw/zinc/16/68/74/564166874.db2.gz XMGPZKDIZAWTGX-UHFFFAOYSA-N 0 0 331.437 4.423 50 0 EIAARN CC[C@H](Nc1ccc(SC(F)F)cc1)C(=O)Nc1cc(C)on1 ZINC000008720397 564166919 /nfs/dbraw/zinc/16/69/19/564166919.db2.gz DXCULUWTMUJAKH-LBPRGKRZSA-N 0 0 341.383 4.127 50 0 EIAARN CC[C@@H](Nc1ccc(SC(F)F)cc1)C(=O)Nc1cc(C)on1 ZINC000008720398 564166934 /nfs/dbraw/zinc/16/69/34/564166934.db2.gz DXCULUWTMUJAKH-GFCCVEGCSA-N 0 0 341.383 4.127 50 0 EIAARN CC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000008725165 564167001 /nfs/dbraw/zinc/16/70/01/564167001.db2.gz KNSOPKLMFBEXIO-AWEZNQCLSA-N 0 0 326.421 4.261 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1ccc(Cl)cc1)O[C@H](C)C2 ZINC000008748580 564167227 /nfs/dbraw/zinc/16/72/27/564167227.db2.gz DUANUVSFCBOUPT-LLVKDONJSA-N 0 0 331.799 4.314 50 0 EIAARN CCOc1ccc2[nH]c(SCc3cn4c(cccc4C)n3)nc2c1 ZINC000069416280 564169245 /nfs/dbraw/zinc/16/92/45/564169245.db2.gz XJRZUNLQKYQQMN-UHFFFAOYSA-N 0 0 338.436 4.210 50 0 EIAARN CS[C@@H](C)C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000069420830 564169404 /nfs/dbraw/zinc/16/94/04/564169404.db2.gz KVAHUCAQJVPZOW-BLLLJJGKSA-N 0 0 347.459 4.021 50 0 EIAARN CCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000069454728 564169651 /nfs/dbraw/zinc/16/96/51/564169651.db2.gz JSRCNXIZBGWCFA-UHFFFAOYSA-N 0 0 338.238 4.120 50 0 EIAARN Cc1cc([C@H](C)C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c(C)o1 ZINC000069456657 564169694 /nfs/dbraw/zinc/16/96/94/564169694.db2.gz AOHRJUIZYCOUIE-ZDUSSCGKSA-N 0 0 343.427 4.169 50 0 EIAARN Cc1oc(-c2ccco2)nc1CC(=O)Nc1nc(C(C)C)cs1 ZINC000069513569 564170039 /nfs/dbraw/zinc/17/00/39/564170039.db2.gz PXHLLZKGKNUXQX-UHFFFAOYSA-N 0 0 331.397 4.004 50 0 EIAARN CCCCN1C(=O)CCc2cc(NC(=O)Cc3cccs3)ccc21 ZINC000009136865 564170393 /nfs/dbraw/zinc/17/03/93/564170393.db2.gz ZXVKORBGDISEEX-UHFFFAOYSA-N 0 0 342.464 4.009 50 0 EIAARN O=C(C[C@H]1OCCc2ccsc21)N1CCC[C@@H]1c1ccsc1 ZINC000069564725 564170483 /nfs/dbraw/zinc/17/04/83/564170483.db2.gz WBKFQBCPHUVFED-HUUCEWRRSA-N 0 0 333.478 4.177 50 0 EIAARN Cc1nc(CNC2(c3ccc(Br)cc3)CCC2)oc1C ZINC000069565936 564170547 /nfs/dbraw/zinc/17/05/47/564170547.db2.gz BHPSRKCNDKMLMM-UHFFFAOYSA-N 0 0 335.245 4.223 50 0 EIAARN CC1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000069600399 564170840 /nfs/dbraw/zinc/17/08/40/564170840.db2.gz WRDDNPMJKLMQCT-UHFFFAOYSA-N 0 0 334.463 4.121 50 0 EIAARN C/C=C/C=C/C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000069622313 564171000 /nfs/dbraw/zinc/17/10/00/564171000.db2.gz FHDWTQCOZLEKCT-YNRRLODASA-N 0 0 332.831 4.037 50 0 EIAARN Cc1cccc([C@@H]2C[C@@H]2C(=O)N(Cc2ccco2)Cc2cccnc2)c1 ZINC000069652838 564171140 /nfs/dbraw/zinc/17/11/40/564171140.db2.gz HNZXMRABPJUPER-SFTDATJTSA-N 0 0 346.430 4.316 50 0 EIAARN CN(C(=O)c1ccccc1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000069773007 564172085 /nfs/dbraw/zinc/17/20/85/564172085.db2.gz PAPTYCCYDDEWQB-IBGZPJMESA-N 0 0 338.357 4.221 50 0 EIAARN Cc1nccn1[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000069810219 564172269 /nfs/dbraw/zinc/17/22/69/564172269.db2.gz WCXGNPZTNSZCBW-GOSISDBHSA-N 0 0 345.874 4.031 50 0 EIAARN C[C@@H](C(=O)N1CCCCCC1)[S@@](=O)Cc1ccc(C(C)(C)C)cc1 ZINC000069813874 564172362 /nfs/dbraw/zinc/17/23/62/564172362.db2.gz BGXVTDIAHOHXAF-UPCLLVRISA-N 0 0 349.540 4.024 50 0 EIAARN Cc1csc(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000069845021 564172475 /nfs/dbraw/zinc/17/24/75/564172475.db2.gz CAJKGXBRLAQOBN-UHFFFAOYSA-N 0 0 344.524 4.374 50 0 EIAARN O=C(C[C@H]1C=CCC1)N[C@H](c1cc2ccccc2o1)c1ccncc1 ZINC000069898092 564172718 /nfs/dbraw/zinc/17/27/18/564172718.db2.gz QUURXKZVUMHTCK-BTYIYWSLSA-N 0 0 332.403 4.390 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)N1CCC(Nc2cccnc2)CC1 ZINC000069980411 564173126 /nfs/dbraw/zinc/17/31/26/564173126.db2.gz BNIKYNXLQJXLNJ-UHFFFAOYSA-N 0 0 344.846 4.152 50 0 EIAARN Cc1c(Cl)ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1Cl ZINC000041095282 564173141 /nfs/dbraw/zinc/17/31/41/564173141.db2.gz UITJMFZGQSNVTB-SKDRFNHKSA-N 0 0 336.284 4.159 50 0 EIAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCCCC1 ZINC000041095402 564173147 /nfs/dbraw/zinc/17/31/47/564173147.db2.gz SMKVPUXACRPTNM-UHFFFAOYSA-N 0 0 345.892 4.048 50 0 EIAARN O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000009423759 564173699 /nfs/dbraw/zinc/17/36/99/564173699.db2.gz AHRGUEITLCDDCV-LJQANCHMSA-N 0 0 334.350 4.302 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl ZINC000041450310 564173909 /nfs/dbraw/zinc/17/39/09/564173909.db2.gz AVOVQRHGMAUFPA-UHFFFAOYSA-N 0 0 325.151 4.366 50 0 EIAARN Cc1ccc(N(Cc2ccco2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000070945528 564174550 /nfs/dbraw/zinc/17/45/50/564174550.db2.gz VNCJIYZNLIKYLH-UHFFFAOYSA-N 0 0 345.402 4.031 50 0 EIAARN O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](C(F)(F)F)CC(=O)N2 ZINC000071279236 564174830 /nfs/dbraw/zinc/17/48/30/564174830.db2.gz AUELAXXBQIEMIG-JTQLQIEISA-N 0 0 331.338 4.099 50 0 EIAARN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1cccc(C)c1 ZINC000071326739 564174928 /nfs/dbraw/zinc/17/49/28/564174928.db2.gz OVUQAPDJKGFJAO-UHFFFAOYSA-N 0 0 343.496 4.435 50 0 EIAARN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccccc1 ZINC000071326680 564174937 /nfs/dbraw/zinc/17/49/37/564174937.db2.gz YBFSBLNQBRAMCK-UHFFFAOYSA-N 0 0 329.469 4.126 50 0 EIAARN COCCN(Cc1ccsc1)C(=O)c1cccc2ccccc21 ZINC000042382169 564174954 /nfs/dbraw/zinc/17/49/54/564174954.db2.gz ASHZCIYDECLDNV-UHFFFAOYSA-N 0 0 325.433 4.190 50 0 EIAARN O=C(c1ccccc1Cc1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000071805038 564175569 /nfs/dbraw/zinc/17/55/69/564175569.db2.gz UZURYFZMIRKQEQ-LEWJYISDSA-N 0 0 335.447 4.061 50 0 EIAARN CC(C)=C[C@H]1[C@H](C(=O)NC2(c3noc(C)n3)CCCCCC2)C1(C)C ZINC000071843936 564175875 /nfs/dbraw/zinc/17/58/75/564175875.db2.gz SIWFRZQWKUWBDM-JKSUJKDBSA-N 0 0 345.487 4.282 50 0 EIAARN C[C@H](c1nc(-c2ccccc2)no1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000071873501 564176263 /nfs/dbraw/zinc/17/62/63/564176263.db2.gz WULCPTDZWCVKEF-OAHLLOKOSA-N 0 0 347.418 4.293 50 0 EIAARN Cc1ccoc1C(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000077649174 564176806 /nfs/dbraw/zinc/17/68/06/564176806.db2.gz WLPWEQVHEPWFHD-UHFFFAOYSA-N 0 0 326.783 4.483 50 0 EIAARN CCOC(=O)c1cnn(Cc2ccccc2)c1-c1cc(C)ccc1C ZINC000685945779 564177057 /nfs/dbraw/zinc/17/70/57/564177057.db2.gz ZBWDZVPSRMZDBA-UHFFFAOYSA-N 0 0 334.419 4.392 50 0 EIAARN O=C(CCCc1ccc(Cl)cc1)N1CCOc2cc(F)ccc21 ZINC000605285625 564177297 /nfs/dbraw/zinc/17/72/97/564177297.db2.gz LPIUSTHSENEODX-UHFFFAOYSA-N 0 0 333.790 4.227 50 0 EIAARN COc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000000389992 568414632 /nfs/dbraw/zinc/41/46/32/568414632.db2.gz XZBURKNRLQJENK-UHFFFAOYSA-N 0 0 331.371 4.179 50 0 EIAARN COc1ccc(-c2nc(SCc3ccccc3Cl)n[nH]2)cc1 ZINC000006520795 568414849 /nfs/dbraw/zinc/41/48/49/568414849.db2.gz KCFUTLMANHKUSW-UHFFFAOYSA-N 0 0 331.828 4.426 50 0 EIAARN Cc1cc(C(=O)N(Cc2ccccn2)C2CC2)cc(C)c1OC(F)F ZINC000071886232 568415215 /nfs/dbraw/zinc/41/52/15/568415215.db2.gz ZFGIXUAZVPFVIF-UHFFFAOYSA-N 0 0 346.377 4.105 50 0 EIAARN O=C(CSc1ccccc1)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000000619996 568418102 /nfs/dbraw/zinc/41/81/02/568418102.db2.gz UUADRDNGQUIVHX-UHFFFAOYSA-N 0 0 345.424 4.075 50 0 EIAARN O=C1c2ccccc2C(=O)N1c1nc2c(ccc3ccccc23)s1 ZINC000002487709 568418313 /nfs/dbraw/zinc/41/83/13/568418313.db2.gz INQWLYYRJCTTDU-UHFFFAOYSA-N 0 0 330.368 4.250 50 0 EIAARN CC(C)(C)CC(=O)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135234 568421084 /nfs/dbraw/zinc/42/10/84/568421084.db2.gz YZORAKNCWYVBOV-KRWDZBQOSA-N 0 0 337.467 4.286 50 0 EIAARN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)c4ccco4)C3)n2)c1 ZINC000065135400 568421101 /nfs/dbraw/zinc/42/11/01/568421101.db2.gz BMKZGZMKLSFZHQ-QGZVFWFLSA-N 0 0 347.418 4.065 50 0 EIAARN COc1ccc(NC(=O)CCc2cccnc2)cc1Cc1ccccc1 ZINC000024787106 1020526612 /nfs/dbraw/zinc/52/66/12/1020526612.db2.gz ZSHWSKPHGHAMEA-UHFFFAOYSA-N 0 0 346.430 4.252 50 0 EIAARN CCOP(=O)(C[C@H](CC)P(=O)(OCC)OCC)OCC ZINC000022016805 1020870593 /nfs/dbraw/zinc/87/05/93/1020870593.db2.gz YJOBFGNCVKJFQK-LBPRGKRZSA-N 0 0 330.298 4.297 50 0 EIAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1cc2n(n1)CCCC2 ZINC000286691854 1020871771 /nfs/dbraw/zinc/87/17/71/1020871771.db2.gz XQZLQFCGPSJOGX-UHFFFAOYSA-N 0 0 329.787 4.180 50 0 EIAARN CC(=O)c1ccccc1NC(=O)C=Cc1ccccc1Br ZINC000097676131 1021284290 /nfs/dbraw/zinc/28/42/90/1021284290.db2.gz MLTRSGQEBHUSSO-KHPPLWFESA-N 0 0 344.208 4.304 50 0 EIAARN Cc1cnc(-c2ccccc2)n1[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581808508 1021882506 /nfs/dbraw/zinc/88/25/06/1021882506.db2.gz XCSXYBOUHKSIBP-HXUWFJFHSA-N 0 0 345.446 4.254 50 0 EIAARN CCc1cnc(CCNC(=O)N2CCCC[C@H]2c2ccc(C)o2)s1 ZINC000173386250 1022263489 /nfs/dbraw/zinc/26/34/89/1022263489.db2.gz FWNKBIRUJSJPKO-HNNXBMFYSA-N 0 0 347.484 4.086 50 0 EIAARN C[C@@H](C1CC1)n1cc(NC(=O)CCCc2c[nH]c3ccccc23)cn1 ZINC000186339677 1022574279 /nfs/dbraw/zinc/57/42/79/1022574279.db2.gz UGTSLJLESIJSRQ-AWEZNQCLSA-N 0 0 336.439 4.297 50 0 EIAARN COc1ccc(/C=C/c2noc(C)c2NC(=O)C2CCCC2)cc1 ZINC000014093858 1022574322 /nfs/dbraw/zinc/57/43/22/1022574322.db2.gz LCXVEVLTMRDNHC-FMIVXFBMSA-N 0 0 326.396 4.291 50 0 EIAARN CC(C)CC(=O)N1CCC2(CC1)C[C@@H](Cc1cccc(F)c1)CCO2 ZINC000257190442 1022749972 /nfs/dbraw/zinc/74/99/72/1022749972.db2.gz MPAYAZCOMLSLQL-GOSISDBHSA-N 0 0 347.474 4.202 50 0 EIAARN CC(C)n1ncc2ccc(NC(=O)N3CCC[C@H](C4CC4)C3)cc21 ZINC000289878142 1022868502 /nfs/dbraw/zinc/86/85/02/1022868502.db2.gz XGSBMBVNKCOUAH-INIZCTEOSA-N 0 0 326.444 4.271 50 0 EIAARN O=C(/C=C/c1ccc(Cl)s1)NCCc1c[nH]c2ccccc12 ZINC000014268490 1022891784 /nfs/dbraw/zinc/89/17/84/1022891784.db2.gz MUSRDOVIKTYWOS-SOFGYWHQSA-N 0 0 330.840 4.255 50 0 EIAARN Cc1ccc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(C)n1 ZINC000186931907 1023182842 /nfs/dbraw/zinc/18/28/42/1023182842.db2.gz WMBZDQSEQSPSNP-SFHVURJKSA-N 0 0 334.822 4.064 50 0 EIAARN C[C@H](C(=O)Nc1cccc(F)c1)n1cc(Oc2ccc(F)cc2)cn1 ZINC000675030053 1023341779 /nfs/dbraw/zinc/34/17/79/1023341779.db2.gz JODDGCWSLRHNHX-GFCCVEGCSA-N 0 0 343.333 4.153 50 0 EIAARN CCOc1ccc([C@@H]2CCCN2C(=O)Nc2c(C)noc2C)cc1 ZINC000331609309 1023674831 /nfs/dbraw/zinc/67/48/31/1023674831.db2.gz WKMNJZIJWCMKNM-INIZCTEOSA-N 0 0 329.400 4.059 50 0 EIAARN CCc1c(C(=O)N2C[C@@H](C(C)C)c3ccccc32)[nH]c(C)c1C(N)=O ZINC000331667399 1023693804 /nfs/dbraw/zinc/69/38/04/1023693804.db2.gz YGLVODWTZRUZNM-HNNXBMFYSA-N 0 0 339.439 4.169 50 0 EIAARN CCOc1ccc2nc(NC(=O)[C@@H]3CCC(F)(F)C3)sc2c1 ZINC000331787967 1023758410 /nfs/dbraw/zinc/75/84/10/1023758410.db2.gz ROJIRUDXMHFMLA-SECBINFHSA-N 0 0 326.368 4.069 50 0 EIAARN CCc1nc(-n2cccc2)sc1C(=O)NCc1ccccc1Cl ZINC000049006251 1024791867 /nfs/dbraw/zinc/79/18/67/1024791867.db2.gz GQJXABWCVJKWJK-UHFFFAOYSA-N 0 0 345.855 4.080 50 0 EIAARN CC(=NN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000254764955 1024976547 /nfs/dbraw/zinc/97/65/47/1024976547.db2.gz RXUJMBIGYUEQJD-UHFFFAOYSA-N 0 0 345.849 4.021 50 0 EIAARN ON=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000254758699 1024979222 /nfs/dbraw/zinc/97/92/22/1024979222.db2.gz LXLJFLXQUQNAHU-UHFFFAOYSA-N 0 0 342.196 4.110 50 0 EIAARN CCCN(CCc1ccccn1)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000176211248 1025050680 /nfs/dbraw/zinc/05/06/80/1025050680.db2.gz CYQOQTXRIWOLLW-INIZCTEOSA-N 0 0 336.435 4.413 50 0 EIAARN O=C(Nc1ccc2sncc2c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000194224909 1025167834 /nfs/dbraw/zinc/16/78/34/1025167834.db2.gz XCBJLBHOVCVVKC-INIZCTEOSA-N 0 0 345.468 4.252 50 0 EIAARN CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000031405063 1025674062 /nfs/dbraw/zinc/67/40/62/1025674062.db2.gz CZVALVWJUSTYGB-NSHDSACASA-N 0 0 325.437 4.137 50 0 EIAARN C[C@@H]1Oc2ccccc2CN(Cc2ccccc2C(F)(F)F)C1=O ZINC000888104598 1026152780 /nfs/dbraw/zinc/15/27/80/1026152780.db2.gz GJGTVIVTVFPELG-LBPRGKRZSA-N 0 0 335.325 4.015 50 0 EIAARN Cc1c(C(=O)N[C@@H](C)c2cccc(F)c2F)cnn1C1CCCC1 ZINC000119452061 1026251771 /nfs/dbraw/zinc/25/17/71/1026251771.db2.gz MFTUWCHGILPQCS-NSHDSACASA-N 0 0 333.382 4.076 50 0 EIAARN CC(C)(C)Nc1ncnc2scc([C@H]3COc4ccccc4O3)c21 ZINC000006702441 1026506883 /nfs/dbraw/zinc/50/68/83/1026506883.db2.gz GNRQUIJIJLEGTD-CQSZACIVSA-N 0 0 341.436 4.414 50 0 EIAARN COc1ccc(Oc2cc(CN[C@@H](C)c3ccccn3)ccn2)cc1 ZINC000158688304 1026903852 /nfs/dbraw/zinc/90/38/52/1026903852.db2.gz VZLZJAFYCULNKJ-HNNXBMFYSA-N 0 0 335.407 4.128 50 0 EIAARN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCc2cnccc21 ZINC000118709064 1027544243 /nfs/dbraw/zinc/54/42/43/1027544243.db2.gz QXXRKECOXFXSMI-UHFFFAOYSA-N 0 0 336.366 4.003 50 0 EIAARN O[C@@H](COc1ccc(Cl)cc1)CSc1nc2ccccc2o1 ZINC000023114843 1027731702 /nfs/dbraw/zinc/73/17/02/1027731702.db2.gz ZMCONHGPCSOIMX-LBPRGKRZSA-N 0 0 335.812 4.013 50 0 EIAARN CCn1nccc1[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1C ZINC000015838061 1029110853 /nfs/dbraw/zinc/11/08/53/1029110853.db2.gz FSDHOBIAFKJTMF-HNNXBMFYSA-N 0 0 332.835 4.234 50 0 EIAARN CC(C)CC1(C)CCN(C(=O)N[C@@H](c2nccs2)C2CC2)CC1 ZINC000585085310 1033533588 /nfs/dbraw/zinc/53/35/88/1033533588.db2.gz MCORVKRHPLGQBZ-OAHLLOKOSA-N 0 0 335.517 4.452 50 0 EIAARN Cc1ccc(C)c(CC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000590221933 1034718950 /nfs/dbraw/zinc/71/89/50/1034718950.db2.gz FEPJPVBLFORZDH-HXUWFJFHSA-N 0 0 339.435 4.042 50 0 EIAARN 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CC[C@@H]1CCCN(C(=O)Nc2cn(-c3ccccc3)nc2C)CC1 ZINC000183714058 1051320776 /nfs/dbraw/zinc/32/07/76/1051320776.db2.gz NQTHODUJAXKKAW-MRXNPFEDSA-N 0 0 326.444 4.225 50 0 EIAARN CCCc1ccccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000184041929 1051792445 /nfs/dbraw/zinc/79/24/45/1051792445.db2.gz RFJZJAMYRKYWTO-NRFANRHFSA-N 0 0 336.435 4.302 50 0 EIAARN Fc1ccc([C@@H]2CC[C@H]2c2nc(Cn3cnc4ccccc43)no2)cc1 ZINC000528170446 1053576850 /nfs/dbraw/zinc/57/68/50/1053576850.db2.gz ZIQATWGBICVHPZ-JKSUJKDBSA-N 0 0 348.381 4.268 50 0 EIAARN CCc1ccc(-c2nc(SCC(=O)c3ccccc3F)n[nH]2)cc1 ZINC000021635713 1054214262 /nfs/dbraw/zinc/21/42/62/1054214262.db2.gz HXMAQOKFESAXDI-UHFFFAOYSA-N 0 0 341.411 4.148 50 0 EIAARN CCCn1cc(N[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cn1 ZINC000186322439 1055353566 /nfs/dbraw/zinc/35/35/66/1055353566.db2.gz KWOSOLFHNSDBAO-CQSZACIVSA-N 0 0 325.416 4.133 50 0 EIAARN CCCn1c(C)cc(-c2csc(NC(=O)c3ccncc3)n2)c1C ZINC000010892076 1055778229 /nfs/dbraw/zinc/77/82/29/1055778229.db2.gz 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CCOc1ccc(-c2cc(C(=O)Nc3cccc(CC)c3)n[nH]2)cc1 ZINC000051315398 214087677 /nfs/dbraw/zinc/08/76/77/214087677.db2.gz SVWNGPMQGZXWNC-UHFFFAOYSA-N 0 0 335.407 4.290 50 0 EIAARN COc1cc(NC(=O)Nc2cccc(F)c2C)c(OC)cc1Cl ZINC000051354562 214090017 /nfs/dbraw/zinc/09/00/17/214090017.db2.gz NPFAPVKGNPRBGQ-UHFFFAOYSA-N 0 0 338.766 4.449 50 0 EIAARN CCCCCCC(=O)N1CCS[C@@H]1c1cc(OC)ccc1OC ZINC000004733367 210264156 /nfs/dbraw/zinc/26/41/56/210264156.db2.gz VCOSSVLJMKOAPK-GOSISDBHSA-N 0 0 337.485 4.248 50 0 EIAARN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1 ZINC000004734430 210263521 /nfs/dbraw/zinc/26/35/21/210263521.db2.gz YJIJTUKSVKZHOY-UHFFFAOYSA-N 0 0 343.448 4.370 50 0 EIAARN O=C(NCc1cscn1)Nc1ccc(SC(F)(F)F)cc1 ZINC000051615246 214098162 /nfs/dbraw/zinc/09/81/62/214098162.db2.gz RXLBNZZHALEDSW-UHFFFAOYSA-N 0 0 333.360 4.077 50 0 EIAARN Cc1cc2cc(NC(=O)COCc3ccccc3Cl)ccc2[nH]1 ZINC000052589260 214135424 /nfs/dbraw/zinc/13/54/24/214135424.db2.gz LOPIQSSRZGJCFI-UHFFFAOYSA-N 0 0 328.799 4.285 50 0 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ZINC000058054679 214475280 /nfs/dbraw/zinc/47/52/80/214475280.db2.gz PFBDGHDDNRODLJ-LJQANCHMSA-N 0 0 349.459 4.000 50 0 EIAARN COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c2ccccc12 ZINC000004667089 210241390 /nfs/dbraw/zinc/24/13/90/210241390.db2.gz IMIDJONETGFMHA-UHFFFAOYSA-N 0 0 349.496 4.342 50 0 EIAARN Cc1nc(CSc2nncn2-c2ccc(C)c(Cl)c2)oc1C ZINC000058192718 214498339 /nfs/dbraw/zinc/49/83/39/214498339.db2.gz FJKHLYMQFMMJQT-UHFFFAOYSA-N 0 0 334.832 4.126 50 0 EIAARN CSc1cccc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)c1 ZINC000058227278 214511794 /nfs/dbraw/zinc/51/17/94/214511794.db2.gz LAJJTIADLHHQSF-UHFFFAOYSA-N 0 0 343.374 4.457 50 0 EIAARN COc1ccc(N(C)C(=O)c2ccccc2Nc2ccccc2)cn1 ZINC000058270695 214523667 /nfs/dbraw/zinc/52/36/67/214523667.db2.gz NJWSIEJFKYFOPI-UHFFFAOYSA-N 0 0 333.391 4.110 50 0 EIAARN COc1ccc2ccccc2c1[S@@](=O)NCc1ccc(Cl)cc1 ZINC000004650752 210237549 /nfs/dbraw/zinc/23/75/49/210237549.db2.gz XFXZZIFHDSZDPJ-QHCPKHFHSA-N 0 0 345.851 4.314 50 0 EIAARN COCc1ccc(CNc2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC000252489054 536783371 /nfs/dbraw/zinc/78/33/71/536783371.db2.gz JECDOKDJJZKRHK-UHFFFAOYSA-N 0 0 336.391 4.290 50 0 EIAARN CCn1nc(C)c(NC(=O)c2ccc(OC)c(-c3ccccc3)c2)c1C ZINC000172816636 529600942 /nfs/dbraw/zinc/60/09/42/529600942.db2.gz PSNCHJSHJSWSSW-UHFFFAOYSA-N 0 0 349.434 4.448 50 0 EIAARN COc1ccc(/C=C/C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 ZINC000058332426 214550606 /nfs/dbraw/zinc/55/06/06/214550606.db2.gz NVARFQHFWMZIEC-RDPWEWGOSA-N 0 0 338.451 4.191 50 0 EIAARN COc1ccc(/C=C/C(=O)N2CCCCC[C@H]2c2cccn2C)cc1 ZINC000058332425 214551368 /nfs/dbraw/zinc/55/13/68/214551368.db2.gz NVARFQHFWMZIEC-IXDOJHRFSA-N 0 0 338.451 4.191 50 0 EIAARN Cc1cccc(NC(=O)N2CCC[C@H]2CN(C)c2ccccc2)c1C ZINC000058379542 214566908 /nfs/dbraw/zinc/56/69/08/214566908.db2.gz WKJMEWIQFRWMIJ-IBGZPJMESA-N 0 0 337.467 4.436 50 0 EIAARN O[C@@H](COc1ccc(-c2ccccc2)cc1)Cn1cnc2ccccc21 ZINC000004623980 210234332 /nfs/dbraw/zinc/23/43/32/210234332.db2.gz FVNVSVXMBNUQRQ-LJQANCHMSA-N 0 0 344.414 4.143 50 0 EIAARN C[C@H]1CN(C(=O)c2cccc3ccccc32)C[C@H](c2ccccc2)O1 ZINC000058427120 214584472 /nfs/dbraw/zinc/58/44/72/214584472.db2.gz SLOUOPQKWSRCJR-HRAATJIYSA-N 0 0 331.415 4.442 50 0 EIAARN O=C(/C=C\c1nccs1)OCc1csc(C2CCCCC2)n1 ZINC000098055185 219075057 /nfs/dbraw/zinc/07/50/57/219075057.db2.gz SWWAGAZWEAGQIF-SREVYHEPSA-N 0 0 334.466 4.404 50 0 EIAARN Clc1ccccc1-c1nnn(Cc2c(Cl)cccc2Cl)n1 ZINC000004602761 210230465 /nfs/dbraw/zinc/23/04/65/210230465.db2.gz GKHRDLVYTGEJTO-UHFFFAOYSA-N 0 0 339.613 4.349 50 0 EIAARN COc1ccccc1-n1c(/C=C/c2ccco2)nc2ccccc2c1=O ZINC000004592518 210229317 /nfs/dbraw/zinc/22/93/17/210229317.db2.gz PBJUJVBDWOHCAE-OUKQBFOZSA-N 0 0 344.370 4.158 50 0 EIAARN CC[C@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(C)cc1 ZINC000049581002 214020019 /nfs/dbraw/zinc/02/00/19/214020019.db2.gz SIACTIUKZPZONZ-INIZCTEOSA-N 0 0 341.842 4.126 50 0 EIAARN COc1ccccc1C1=N/C(=C\c2ccccc2C(F)(F)F)C(=O)O1 ZINC000004589589 210227714 /nfs/dbraw/zinc/22/77/14/210227714.db2.gz UKXCVMWCKJEYSN-UVTDQMKNSA-N 0 0 347.292 4.059 50 0 EIAARN Cc1noc(C)c1CN(C)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000063808586 214769216 /nfs/dbraw/zinc/76/92/16/214769216.db2.gz AYGZATQBRXHZTR-UHFFFAOYSA-N 0 0 349.862 4.064 50 0 EIAARN COc1cc(OC)c(NC(=O)c2nccc3ccccc32)cc1Cl ZINC000060192900 214630557 /nfs/dbraw/zinc/63/05/57/214630557.db2.gz FBVJTEXVAXNMBN-UHFFFAOYSA-N 0 0 342.782 4.158 50 0 EIAARN CC(C)(C)OC(=O)N1CCC[C@H](CSc2nc3ccccc3[nH]2)C1 ZINC000060379244 214634225 /nfs/dbraw/zinc/63/42/25/214634225.db2.gz QLTWCGSGXXFCIN-ZDUSSCGKSA-N 0 0 347.484 4.302 50 0 EIAARN CNc1nc2c(s1)[C@H](c1cccc(OCC(C)C)c1)CC(=O)N2 ZINC000061720448 214675254 /nfs/dbraw/zinc/67/52/54/214675254.db2.gz RYHIBMGJNZVGJY-ZDUSSCGKSA-N 0 0 331.441 4.343 50 0 EIAARN O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000004547951 210219393 /nfs/dbraw/zinc/21/93/93/210219393.db2.gz AKMXOGNOVALJCL-UHFFFAOYSA-N 0 0 343.423 4.206 50 0 EIAARN COc1cccc(NC(=O)COc2c(Cl)cccc2Cl)c1 ZINC000004542103 210218259 /nfs/dbraw/zinc/21/82/59/210218259.db2.gz WNGVKRHMLBKUKC-UHFFFAOYSA-N 0 0 326.179 4.020 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1sccc1Br ZINC000004542008 210217399 /nfs/dbraw/zinc/21/73/99/210217399.db2.gz NRFJTTPWSYRUNT-UHFFFAOYSA-N 0 0 346.633 4.425 50 0 EIAARN C(=C/c1nn2c(CCc3ccccc3)nnc2s1)\c1cccs1 ZINC000004540236 210216736 /nfs/dbraw/zinc/21/67/36/210216736.db2.gz JHJIDTRKYPMOJM-PKNBQFBNSA-N 0 0 338.461 4.203 50 0 EIAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)cc1 ZINC000098211002 219087632 /nfs/dbraw/zinc/08/76/32/219087632.db2.gz OKBIJWPUTWBGJD-CQSZACIVSA-N 0 0 329.400 4.117 50 0 EIAARN CN(C)n1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 ZINC000004537086 210215633 /nfs/dbraw/zinc/21/56/33/210215633.db2.gz UTCAUFBQVFIHRN-ZPHPHTNESA-N 0 0 329.856 4.300 50 0 EIAARN CCc1nc(CNC(=O)c2sc(C)nc2-c2ccccc2)cs1 ZINC000171618720 529740010 /nfs/dbraw/zinc/74/00/10/529740010.db2.gz KAERTJOFYIWYHD-UHFFFAOYSA-N 0 0 343.477 4.067 50 0 EIAARN COc1ccc(/C=C2\SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000004524465 210213609 /nfs/dbraw/zinc/21/36/09/210213609.db2.gz HPQQJBVQTKZCHH-JWZKOSBISA-N 0 0 338.432 4.368 50 0 EIAARN Cc1c(C(=O)OC(C)C)oc2c1C(=O)C[C@@H](c1ccccc1F)C2 ZINC000004520072 210212206 /nfs/dbraw/zinc/21/22/06/210212206.db2.gz UENGLNVUJHUYEW-GFCCVEGCSA-N 0 0 330.355 4.205 50 0 EIAARN CSc1ccccc1C(=O)Nc1nnc(-c2cc(C)ccc2C)o1 ZINC000004517427 210211143 /nfs/dbraw/zinc/21/11/43/210211143.db2.gz JNMYDURCDHPYHQ-UHFFFAOYSA-N 0 0 339.420 4.328 50 0 EIAARN Cc1ccc(C)c(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1 ZINC000100341850 219096610 /nfs/dbraw/zinc/09/66/10/219096610.db2.gz BFIVUNIEZKYGGG-OAHLLOKOSA-N 0 0 327.811 4.079 50 0 EIAARN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=O)c1C)CCCC2 ZINC000004499608 210204745 /nfs/dbraw/zinc/20/47/45/210204745.db2.gz IWAQYICUTFQLPL-UHFFFAOYSA-N 0 0 331.437 4.024 50 0 EIAARN O=C(Cc1ccccc1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000004479435 210197790 /nfs/dbraw/zinc/19/77/90/210197790.db2.gz KTLKRDXATIGPRT-UHFFFAOYSA-N 0 0 348.189 4.225 50 0 EIAARN CC(C)(C)c1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1 ZINC000004487446 210201409 /nfs/dbraw/zinc/20/14/09/210201409.db2.gz ABAKDAKVPCSOOC-UHFFFAOYSA-N 0 0 326.347 4.169 50 0 EIAARN Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)c1 ZINC000004488149 210201459 /nfs/dbraw/zinc/20/14/59/210201459.db2.gz HIDPMUKPGBXRPG-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN Clc1ccc(C2=Nc3nnnn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100622320 219102606 /nfs/dbraw/zinc/10/26/06/219102606.db2.gz PLWADCAOTPQNOD-HNNXBMFYSA-N 0 0 344.205 4.036 50 0 EIAARN Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1 ZINC000100644943 219103764 /nfs/dbraw/zinc/10/37/64/219103764.db2.gz GHHSBIVITWSINB-MRXNPFEDSA-N 0 0 326.762 4.127 50 0 EIAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C)cc1 ZINC000100707907 219104753 /nfs/dbraw/zinc/10/47/53/219104753.db2.gz WANYYFHINYYQKR-PIGZYNQJSA-N 0 0 328.799 4.238 50 0 EIAARN CCCn1cc([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000100757754 219105832 /nfs/dbraw/zinc/10/58/32/219105832.db2.gz GQLNCJJBSSFSBK-GOSISDBHSA-N 0 0 346.430 4.407 50 0 biogenic EIAARN C[C@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004422829 210190770 /nfs/dbraw/zinc/19/07/70/210190770.db2.gz DWQQRTJQHUWCPX-KRWDZBQOSA-N 0 0 331.415 4.041 50 0 EIAARN COc1ccc(C(=O)Nc2cccc3ccc(C)nc32)cc1Cl ZINC000004413185 210188886 /nfs/dbraw/zinc/18/88/86/210188886.db2.gz LKAMUTLKMZYZKO-UHFFFAOYSA-N 0 0 326.783 4.458 50 0 EIAARN O=C(NCCSCc1ccc(F)cc1)c1c(F)cccc1Cl ZINC000004390653 210186522 /nfs/dbraw/zinc/18/65/22/210186522.db2.gz IACYOATUSLAABR-UHFFFAOYSA-N 0 0 341.810 4.281 50 0 EIAARN CC[C@H]1Cn2c(C(=O)NCc3cccc(C)c3)cc3cccc(c32)O1 ZINC000064657868 214797367 /nfs/dbraw/zinc/79/73/67/214797367.db2.gz QFAOFLGNTYCHQP-KRWDZBQOSA-N 0 0 334.419 4.051 50 0 EIAARN Cc1ccc(-n2nnc(-c3nc(-c4ccccc4C)cs3)c2N)cc1 ZINC000064664378 214797701 /nfs/dbraw/zinc/79/77/01/214797701.db2.gz YHNQQLMLCKARSP-UHFFFAOYSA-N 0 0 347.447 4.257 50 0 EIAARN Cc1ccc(-c2ncc(C(=O)NCCC3=CCCCC3)c(C)n2)cc1 ZINC000064664133 214798016 /nfs/dbraw/zinc/79/80/16/214798016.db2.gz BMWDNANVCXBQPU-UHFFFAOYSA-N 0 0 335.451 4.381 50 0 EIAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100974684 219112897 /nfs/dbraw/zinc/11/28/97/219112897.db2.gz OYCALXJOVMZJNH-ZJUUUORDSA-N 0 0 330.598 4.016 50 0 EIAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004385019 210184559 /nfs/dbraw/zinc/18/45/59/210184559.db2.gz YWXPNYCXMLFQAG-CQSZACIVSA-N 0 0 337.398 4.106 50 0 EIAARN Cc1ccc(-n2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000101039936 219114282 /nfs/dbraw/zinc/11/42/82/219114282.db2.gz CJHLUNCJIYPCEK-UHFFFAOYSA-N 0 0 347.237 4.119 50 0 EIAARN O=C1CC(c2ccccc2)CC(=O)N1Cc1csc2ccccc12 ZINC000004371521 210182516 /nfs/dbraw/zinc/18/25/16/210182516.db2.gz FHRDPUNUXBYBKY-UHFFFAOYSA-N 0 0 335.428 4.334 50 0 EIAARN Cc1ccc(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)cc1 ZINC000004372199 210181696 /nfs/dbraw/zinc/18/16/96/210181696.db2.gz GFDKHJIWGKGHRQ-UHFFFAOYSA-N 0 0 339.464 4.275 50 0 EIAARN Clc1cccc(Cl)c1[C@@H]1CC(c2ccccc2)=Nc2nnnn21 ZINC000101113147 219116123 /nfs/dbraw/zinc/11/61/23/219116123.db2.gz QYZPBYGJLFEBSC-AWEZNQCLSA-N 0 0 344.205 4.036 50 0 EIAARN CCCn1nnc2cc(-c3noc(/C=C/c4ccccc4)n3)ccc21 ZINC000064980017 214819081 /nfs/dbraw/zinc/81/90/81/214819081.db2.gz CFNVGMKXYZDDDW-DHZHZOJOSA-N 0 0 331.379 4.062 50 0 EIAARN COc1ccc(C)cc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064985183 214820877 /nfs/dbraw/zinc/82/08/77/214820877.db2.gz SLPQYFOFDIGYDQ-INIZCTEOSA-N 0 0 343.427 4.484 50 0 EIAARN COC(=O)c1cc(OCc2cc(C)ccc2C)c2cc(F)ccc2n1 ZINC000065033350 214824141 /nfs/dbraw/zinc/82/41/41/214824141.db2.gz XDZKLAGRZHLMDR-UHFFFAOYSA-N 0 0 339.366 4.356 50 0 EIAARN C[C@@]12COc3ccc4ccccc4c3[C@H]1c1sc(=O)[nH]c1SC2 ZINC000004337614 210173948 /nfs/dbraw/zinc/17/39/48/210173948.db2.gz MVCHNDAEFUUZBT-KSSFIOAISA-N 0 0 341.457 4.226 50 0 EIAARN COc1ccc(C)c2sc(NC(=O)c3c(F)cccc3F)nc21 ZINC000004331364 210173205 /nfs/dbraw/zinc/17/32/05/210173205.db2.gz OHIKOTWRMDFUSB-UHFFFAOYSA-N 0 0 334.347 4.144 50 0 EIAARN O=C(c1ccccc1)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135320 214831648 /nfs/dbraw/zinc/83/16/48/214831648.db2.gz UKTADNVCPJIYRS-LJQANCHMSA-N 0 0 343.430 4.163 50 0 EIAARN Cc1ccc(Cl)cc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000004321078 210170610 /nfs/dbraw/zinc/17/06/10/210170610.db2.gz YHCWPNYURUXHCA-CQSZACIVSA-N 0 0 332.812 4.286 50 0 EIAARN Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c(C)c1 ZINC000004322971 210170333 /nfs/dbraw/zinc/17/03/33/210170333.db2.gz PEXBMZIZOAYZNO-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN COc1ccc(-c2csc(-c3cnccn3)n2)cc1Br ZINC000048355369 213929979 /nfs/dbraw/zinc/92/99/79/213929979.db2.gz GBEADANZLDHWQU-UHFFFAOYSA-N 0 0 348.225 4.038 50 0 EIAARN Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 ZINC000004292015 210162872 /nfs/dbraw/zinc/16/28/72/210162872.db2.gz WWJVOGUSXDDUAQ-FPOVZHCZSA-N 0 0 345.377 4.463 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)N(Cc3ccccn3)C(C)C)c2c1 ZINC000048300314 213914230 /nfs/dbraw/zinc/91/42/30/213914230.db2.gz OTIFRKUWDWOUFR-UHFFFAOYSA-N 0 0 333.435 4.297 50 0 EIAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccccc1Cl ZINC000004275892 210158518 /nfs/dbraw/zinc/15/85/18/210158518.db2.gz KOZQWVZTBPMSJD-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN O=C(Nc1nsc(-c2ccc(Cl)cc2)n1)c1ccccc1F ZINC000004269709 210156981 /nfs/dbraw/zinc/15/69/81/210156981.db2.gz JPUFTLQCLRXHNF-UHFFFAOYSA-N 0 0 333.775 4.250 50 0 EIAARN CSc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000065331543 214872054 /nfs/dbraw/zinc/87/20/54/214872054.db2.gz MZDXKGKMZDIXDA-QGZVFWFLSA-N 0 0 349.459 4.377 50 0 EIAARN O=C1C[C@H](c2ccc(F)cc2)c2cnn(-c3cccc(Cl)c3)c2N1 ZINC000065331235 214872396 /nfs/dbraw/zinc/87/23/96/214872396.db2.gz IAYZQTICTKADOW-OAHLLOKOSA-N 0 0 341.773 4.139 50 0 EIAARN COc1ccc2[nH]c(SCC(=O)c3ccc4c(c3)CCC4)nc2c1 ZINC000004252250 210154501 /nfs/dbraw/zinc/15/45/01/210154501.db2.gz NYCVNTHMPZVRDW-UHFFFAOYSA-N 0 0 338.432 4.035 50 0 EIAARN O=C(Cc1cccs1)Nc1cccc(-c2cn3ccsc3n2)c1 ZINC000004249022 210152298 /nfs/dbraw/zinc/15/22/98/210152298.db2.gz SFKKGRTXEKJEIW-UHFFFAOYSA-N 0 0 339.445 4.306 50 0 EIAARN COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000004221120 210147032 /nfs/dbraw/zinc/14/70/32/210147032.db2.gz UPPVBRXPOZWUJE-UHFFFAOYSA-N 0 0 346.839 4.003 50 0 EIAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000004225262 210146609 /nfs/dbraw/zinc/14/66/09/210146609.db2.gz UGAKFONVINDLDV-MRXNPFEDSA-N 0 0 333.435 4.194 50 0 EIAARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@H]1c1ccc(C)cc1 ZINC000004205908 210145204 /nfs/dbraw/zinc/14/52/04/210145204.db2.gz NAFRQUSHHAHPHK-PGRDOPGGSA-N 0 0 348.446 4.264 50 0 EIAARN CCOC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(C)nc1C ZINC000004206033 210145085 /nfs/dbraw/zinc/14/50/85/210145085.db2.gz RNXLJHRNLNSXJG-UHFFFAOYSA-N 0 0 347.802 4.173 50 0 EIAARN Cc1cc(C)nc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000004143028 210133039 /nfs/dbraw/zinc/13/30/39/210133039.db2.gz FZBFKPLJBKXMHI-DAXOMENPSA-N 0 0 336.501 4.190 50 0 EIAARN Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000065563675 214961901 /nfs/dbraw/zinc/96/19/01/214961901.db2.gz NIXZZUXLBSICJW-VQTJNVASSA-N 0 0 346.430 4.316 50 0 EIAARN O=C(NCCc1c[nH]c2ccccc12)c1cnc(-c2ccccc2)s1 ZINC000046565484 213802790 /nfs/dbraw/zinc/80/27/90/213802790.db2.gz ABUAGSNVMPQCQV-UHFFFAOYSA-N 0 0 347.443 4.264 50 0 EIAARN CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 ZINC000004105275 210120241 /nfs/dbraw/zinc/12/02/41/210120241.db2.gz LSHDZDBLOAGRBW-UHFFFAOYSA-N 0 0 329.425 4.187 50 0 aggregator EIAARN O=C(Nc1cccc(Oc2ncccn2)c1)[C@H]1CCCc2ccccc21 ZINC000046292031 213795184 /nfs/dbraw/zinc/79/51/84/213795184.db2.gz ZNFJNPYWNBAHCW-IBGZPJMESA-N 0 0 345.402 4.328 50 0 EIAARN Cc1nc2cc(NC(=O)c3ccc4ncsc4c3)ccc2s1 ZINC000004088386 210117409 /nfs/dbraw/zinc/11/74/09/210117409.db2.gz IBFRZWKGFJGARQ-UHFFFAOYSA-N 0 0 325.418 4.467 50 0 EIAARN CCCCNC(=S)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000004088085 210117009 /nfs/dbraw/zinc/11/70/09/210117009.db2.gz ICQWBCHATNSMKT-KRWDZBQOSA-N 0 0 347.915 4.221 50 0 EIAARN O=C1OCC(c2ccccc2)=C1c1ncc(C(F)(F)F)cc1Cl ZINC000004073427 210113277 /nfs/dbraw/zinc/11/32/77/210113277.db2.gz GFKHBMLTCNLWSX-UHFFFAOYSA-N 0 0 339.700 4.221 50 0 EIAARN CCCCOc1ccc(C(=O)NCCn2ccc3ccccc32)cc1 ZINC000004060453 210110388 /nfs/dbraw/zinc/11/03/88/210110388.db2.gz GGOJJLVYAJHYKZ-UHFFFAOYSA-N 0 0 336.435 4.250 50 0 EIAARN Cc1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1 ZINC000004054661 210109358 /nfs/dbraw/zinc/10/93/58/210109358.db2.gz SUPHVGZNGOEORE-UHFFFAOYSA-N 0 0 335.270 4.244 50 0 EIAARN O=C1c2ccccc2C(=O)N1c1ccc(OCCc2ccccc2)cc1 ZINC000004056235 210108978 /nfs/dbraw/zinc/10/89/78/210108978.db2.gz AUMACLYXFRKVLT-UHFFFAOYSA-N 0 0 343.382 4.109 50 0 EIAARN CCc1cccc(C)c1-n1nnnc1[C@](C)(CC)Nc1ccccc1 ZINC000046078223 213778839 /nfs/dbraw/zinc/77/88/39/213778839.db2.gz AFASFTWJWYQQEI-FQEVSTJZSA-N 0 0 335.455 4.270 50 0 EIAARN CC[C@@H](C)Oc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C ZINC000004050116 210107785 /nfs/dbraw/zinc/10/77/85/210107785.db2.gz CFJQVOPJMUWCBQ-OAHLLOKOSA-N 0 0 333.453 4.017 50 0 EIAARN Cc1cccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1 ZINC000004033065 210105010 /nfs/dbraw/zinc/10/50/10/210105010.db2.gz BKRKPNMXGCAOQR-UHFFFAOYSA-N 0 0 342.402 4.265 50 0 EIAARN Cc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1F ZINC000004000106 210099203 /nfs/dbraw/zinc/09/92/03/210099203.db2.gz ZTBLFINUXAHAPU-UHFFFAOYSA-N 0 0 339.366 4.214 50 0 biogenic EIAARN COc1cc(OC)cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004006370 210098358 /nfs/dbraw/zinc/09/83/58/210098358.db2.gz IDKBLYSMKPRUNH-BUBBNXEVSA-N 0 0 343.467 4.039 50 0 EIAARN COc1ccccc1Cc1noc(/C=C/c2ccccc2Cl)n1 ZINC000003913238 210094555 /nfs/dbraw/zinc/09/45/55/210094555.db2.gz UUDOKKRHQLBMRK-ZHACJKMWSA-N 0 0 326.783 4.493 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 ZINC000003908275 210091180 /nfs/dbraw/zinc/09/11/80/210091180.db2.gz OXAYESIFIPLOFG-UHFFFAOYSA-N 0 0 340.766 4.450 50 0 EIAARN COc1ccccc1[C@@H]1CC(c2ccc(C(C)C)cc2)=Nc2ncnn21 ZINC000102048088 219182802 /nfs/dbraw/zinc/18/28/02/219182802.db2.gz JQINNKKENWCCSP-IBGZPJMESA-N 0 0 346.434 4.466 50 0 EIAARN O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000003904580 210089053 /nfs/dbraw/zinc/08/90/53/210089053.db2.gz XVOWXCZBOOULSU-SLDRDFCHSA-N 0 0 333.387 4.014 50 0 EIAARN O=c1c2ccccc2nc(/C=C/c2ccco2)n1Cc1ccccc1 ZINC000003900155 210087740 /nfs/dbraw/zinc/08/77/40/210087740.db2.gz XUJVCGGPPAVHEV-OUKQBFOZSA-N 0 0 328.371 4.208 50 0 EIAARN FC(F)(F)c1nc(NCc2cccs2)nc2c1CCCCC2 ZINC000003896196 210086215 /nfs/dbraw/zinc/08/62/15/210086215.db2.gz XDIUEZJFYUNPBX-UHFFFAOYSA-N 0 0 327.375 4.438 50 0 EIAARN Cc1cc(C2(c3ccc(O)c(C)c3)OC(=O)c3ccccc32)ccc1O ZINC000003860290 210080705 /nfs/dbraw/zinc/08/07/05/210080705.db2.gz CPBJMKMKNCRKQB-UHFFFAOYSA-N 0 0 346.382 4.177 50 0 EIAARN Fc1cccc(Cl)c1Cc1nnc(SC[C@H]2CCCCO2)o1 ZINC000066257789 215028228 /nfs/dbraw/zinc/02/82/28/215028228.db2.gz RZTZIOHFEALTPF-SNVBAGLBSA-N 0 0 342.823 4.114 50 0 EIAARN Cc1ncc(CN(C)C(=O)c2csc(-c3ccccc3C)n2)s1 ZINC000066328575 215033493 /nfs/dbraw/zinc/03/34/93/215033493.db2.gz CEBNMPOZPXHHIE-UHFFFAOYSA-N 0 0 343.477 4.156 50 0 EIAARN Cc1ccc(OCCCCn2c(CCCO)nc3ccccc32)cc1 ZINC000003648954 210070516 /nfs/dbraw/zinc/07/05/16/210070516.db2.gz QAYBIPZJPHFVEB-UHFFFAOYSA-N 0 0 338.451 4.129 50 0 EIAARN O=C(Cc1ccccc1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003646888 210069965 /nfs/dbraw/zinc/06/99/65/210069965.db2.gz UNQCBTHROKFNIL-UHFFFAOYSA-N 0 0 338.366 4.131 50 0 EIAARN COc1ccc(NC(=O)c2ccccc2Br)cc1Cl ZINC000003615771 210066042 /nfs/dbraw/zinc/06/60/42/210066042.db2.gz KECCKEFKFSQFIJ-UHFFFAOYSA-N 0 0 340.604 4.363 50 0 EIAARN COc1ccc(CCC(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000003553863 210052800 /nfs/dbraw/zinc/05/28/00/210052800.db2.gz HGGHGPKIYUFXQS-UHFFFAOYSA-N 0 0 333.815 4.237 50 0 EIAARN COc1ccc(/C=C/C(=O)Nc2cccc(SC)c2)cc1OC ZINC000003548775 210051588 /nfs/dbraw/zinc/05/15/88/210051588.db2.gz NNTPOVLWPLLQIV-CSKARUKUSA-N 0 0 329.421 4.078 50 0 EIAARN COC(=O)c1ccc(OC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000003560700 210054682 /nfs/dbraw/zinc/05/46/82/210054682.db2.gz ZUSUIJVOYBGWLN-UHFFFAOYSA-N 0 0 348.354 4.485 50 0 EIAARN O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCc2ccccc2)c1 ZINC000003453996 210044075 /nfs/dbraw/zinc/04/40/75/210044075.db2.gz AWVKWARDRDNNQL-UHFFFAOYSA-N 0 0 347.370 4.247 50 0 EIAARN Cc1noc(C)c1C(=O)OCc1csc(-c2ccc(C)cc2)n1 ZINC000003448602 210043096 /nfs/dbraw/zinc/04/30/96/210043096.db2.gz OUJLSDNZAZTXLI-UHFFFAOYSA-N 0 0 328.393 4.080 50 0 EIAARN Cc1noc(Cl)c1CCC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000066762199 215077140 /nfs/dbraw/zinc/07/71/40/215077140.db2.gz HGLWTAIPTFLRGW-INIZCTEOSA-N 0 0 346.858 4.365 50 0 EIAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cccc2ccccc21 ZINC000003441355 210040568 /nfs/dbraw/zinc/04/05/68/210040568.db2.gz LAIXGFCLBJRZFE-UHFFFAOYSA-N 0 0 333.387 4.252 50 0 EIAARN Cc1ccc2c(COC(=O)c3ccc(F)cc3Cl)cc(=O)oc2c1 ZINC000003437213 210039088 /nfs/dbraw/zinc/03/90/88/210039088.db2.gz JVUALHGOXLSZKV-UHFFFAOYSA-N 0 0 346.741 4.251 50 0 EIAARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000102664526 219220087 /nfs/dbraw/zinc/22/00/87/219220087.db2.gz XUZDIBCIARCKOC-UZLBHIALSA-N 0 0 342.402 4.343 50 0 EIAARN O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000003423025 210035327 /nfs/dbraw/zinc/03/53/27/210035327.db2.gz YFPTZKISEFMOIE-OAHLLOKOSA-N 0 0 326.396 4.413 50 0 EIAARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2csc(C)n2)cc1 ZINC000102677761 219221056 /nfs/dbraw/zinc/22/10/56/219221056.db2.gz BTBUGYMIXVHMMG-MUJYYYPQSA-N 0 0 342.464 4.011 50 0 EIAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000003415892 210032209 /nfs/dbraw/zinc/03/22/09/210032209.db2.gz LAFNOPKLTJTODA-UHFFFAOYSA-N 0 0 336.391 4.431 50 0 EIAARN CCC(CC)c1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1 ZINC000003404184 210029811 /nfs/dbraw/zinc/02/98/11/210029811.db2.gz MBWZFJOAUAPRSD-UHFFFAOYSA-N 0 0 342.468 4.494 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003415289 210032728 /nfs/dbraw/zinc/03/27/28/210032728.db2.gz ZEZBVVOFRLCJGN-OAHLLOKOSA-N 0 0 339.313 4.381 50 0 EIAARN COc1ccccc1-c1csc(Nc2ccc3c(c2)OCCO3)n1 ZINC000003414806 210032493 /nfs/dbraw/zinc/03/24/93/210032493.db2.gz UYHFFZUSTPDVQG-UHFFFAOYSA-N 0 0 340.404 4.334 50 0 EIAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1ccco1 ZINC000102735346 219226638 /nfs/dbraw/zinc/22/66/38/219226638.db2.gz USMIWZTUHWDSJK-UHFFFAOYSA-N 0 0 337.404 4.165 50 0 EIAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000102736020 219226844 /nfs/dbraw/zinc/22/68/44/219226844.db2.gz IWOHOJAIFYQYQD-AOOOYVTPSA-N 0 0 331.721 4.038 50 0 EIAARN O=C1CCCC2=Nc3nonc3N[C@@H](c3cc(Cl)ccc3F)C12 ZINC000102747424 219227139 /nfs/dbraw/zinc/22/71/39/219227139.db2.gz IDZPWXQCOOPRBD-ZDUSSCGKSA-N 0 0 334.738 4.097 50 0 EIAARN Cc1[nH]c2ccccc2c1C(=O)CSCC(=O)Nc1ccccc1 ZINC000003363405 210018696 /nfs/dbraw/zinc/01/86/96/210018696.db2.gz KJWRDQUGVHLBAV-UHFFFAOYSA-N 0 0 338.432 4.031 50 0 EIAARN O=c1cc(CNc2ccc(F)cc2F)c2cc3c(cc2o1)CCC3 ZINC000003371541 210020164 /nfs/dbraw/zinc/02/01/64/210020164.db2.gz XQJGEPWRUSNQOH-UHFFFAOYSA-N 0 0 327.330 4.172 50 0 EIAARN COc1cccc(NC(=O)[C@H](NCc2ccccc2)c2ccccc2)c1 ZINC000003369172 210019690 /nfs/dbraw/zinc/01/96/90/210019690.db2.gz ROHSPNCTUSAAIJ-OAQYLSRUSA-N 0 0 346.430 4.165 50 0 EIAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccncc1 ZINC000003357179 210016016 /nfs/dbraw/zinc/01/60/16/210016016.db2.gz JLEGDZVVNBCRQH-IBGZPJMESA-N 0 0 341.414 4.125 50 0 EIAARN Cc1sc2ncnc(Sc3ncnc4sccc43)c2c1C ZINC000003342100 210012983 /nfs/dbraw/zinc/01/29/83/210012983.db2.gz ZSGPIDZRDYMUSQ-UHFFFAOYSA-N 0 0 330.463 4.464 50 0 EIAARN COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000003345915 210014586 /nfs/dbraw/zinc/01/45/86/210014586.db2.gz MIHQZDNVDNBWBO-OAHLLOKOSA-N 0 0 341.451 4.393 50 0 EIAARN O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)s1 ZINC000003325773 210008574 /nfs/dbraw/zinc/00/85/74/210008574.db2.gz UZZCIOFEUVEEMH-UHFFFAOYSA-N 0 0 346.791 4.300 50 0 EIAARN C[C@H](NC(=O)CSC1CCCC1)c1ccc(Br)cc1 ZINC000003325672 210008315 /nfs/dbraw/zinc/00/83/15/210008315.db2.gz KTVRUDDLPYMGLZ-NSHDSACASA-N 0 0 342.302 4.302 50 0 EIAARN CSc1ccc(Cl)c(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 ZINC000003328075 210007793 /nfs/dbraw/zinc/00/77/93/210007793.db2.gz SHPRMWVVBSFFMG-UHFFFAOYSA-N 0 0 340.857 4.282 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1 ZINC000003321905 210007228 /nfs/dbraw/zinc/00/72/28/210007228.db2.gz IBPDBUVUELBPCU-UHFFFAOYSA-N 0 0 346.358 4.349 50 0 EIAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C(C)C)c21 ZINC000003339706 210012197 /nfs/dbraw/zinc/01/21/97/210012197.db2.gz VNVFIJAMBNIOGV-UHFFFAOYSA-N 0 0 330.771 4.453 50 0 EIAARN O=C(CCSc1ccc(Cl)cc1)NCCOc1ccccc1 ZINC000003338535 210011466 /nfs/dbraw/zinc/01/14/66/210011466.db2.gz XZZMFWZEIPCSQQ-UHFFFAOYSA-N 0 0 335.856 4.017 50 0 EIAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCc2ccccc21 ZINC000003323504 210006507 /nfs/dbraw/zinc/00/65/07/210006507.db2.gz MONRFQUCCZUTLC-NSHDSACASA-N 0 0 335.234 4.383 50 0 EIAARN CN(Cc1ccccc1)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000044124842 213608946 /nfs/dbraw/zinc/60/89/46/213608946.db2.gz RCKNWYLUTXSHJF-OAQYLSRUSA-N 0 0 328.415 4.212 50 0 EIAARN CC[C@@H](C)[C@H](NC(=O)c1ccco1)c1nc(-c2cccc(C)c2)no1 ZINC000102830777 219234139 /nfs/dbraw/zinc/23/41/39/219234139.db2.gz SNPRLXXQXSMXKD-CJNGLKHVSA-N 0 0 339.395 4.155 50 0 EIAARN Cc1sc2nc(S[C@H](C)c3nc(C(C)C)no3)nc(N)c2c1C ZINC000043735033 213595516 /nfs/dbraw/zinc/59/55/16/213595516.db2.gz OBBQNJIFDWDRHH-SECBINFHSA-N 0 0 349.485 4.250 50 0 EIAARN O=C(COC(=O)CCC1CCCC1)Nc1cccc(Cl)c1Cl ZINC000003315570 210005050 /nfs/dbraw/zinc/00/50/50/210005050.db2.gz MHHMCILBLQVZEG-UHFFFAOYSA-N 0 0 344.238 4.446 50 0 EIAARN COc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000003314935 210004969 /nfs/dbraw/zinc/00/49/69/210004969.db2.gz CRNCVNINOMQDFK-UHFFFAOYSA-N 0 0 326.421 4.266 50 0 EIAARN O=C(c1sccc1C1CC1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000067142773 215116566 /nfs/dbraw/zinc/11/65/66/215116566.db2.gz SJSATMQLLUSJAR-UHFFFAOYSA-N 0 0 349.459 4.431 50 0 EIAARN COc1ccc(NC(=O)CN(c2ccccc2)c2ccccc2)cc1 ZINC000003311622 210003659 /nfs/dbraw/zinc/00/36/59/210003659.db2.gz BCIPUXRFIWVVLI-UHFFFAOYSA-N 0 0 332.403 4.472 50 0 EIAARN CCc1ccc(C(=O)COC(=O)Cc2cccc3ccccc32)cc1 ZINC000003304147 210002304 /nfs/dbraw/zinc/00/23/04/210002304.db2.gz AJLXWRZFUTUUKR-UHFFFAOYSA-N 0 0 332.399 4.371 50 0 EIAARN COc1ccccc1-c1noc(Cc2nc(-c3ccccc3)cs2)n1 ZINC000067246040 215128040 /nfs/dbraw/zinc/12/80/40/215128040.db2.gz YKBOKGHJPDPGNF-UHFFFAOYSA-N 0 0 349.415 4.460 50 0 EIAARN C[C@H](NC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)c(F)c1 ZINC000043485878 213583988 /nfs/dbraw/zinc/58/39/88/213583988.db2.gz WILGXBXVSPXPEI-ZDUSSCGKSA-N 0 0 345.393 4.448 50 0 EIAARN COc1ccccc1OCc1csc(NC(=O)C2CCCCC2)n1 ZINC000003245637 209988050 /nfs/dbraw/zinc/98/80/50/209988050.db2.gz TYLKBILCBNKAKF-UHFFFAOYSA-N 0 0 346.452 4.250 50 0 EIAARN CN(C)c1ccc(NC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000003194415 209977000 /nfs/dbraw/zinc/97/70/00/209977000.db2.gz CREFIKIPKYVDCV-UHFFFAOYSA-N 0 0 345.446 4.432 50 0 EIAARN Cc1ccc(F)cc1NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000003158501 209972452 /nfs/dbraw/zinc/97/24/52/209972452.db2.gz OFMPECAWJVKKFV-UHFFFAOYSA-N 0 0 344.333 4.279 50 0 EIAARN CSCCNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000003170131 209972495 /nfs/dbraw/zinc/97/24/95/209972495.db2.gz SCEZYYPEYHYGSE-UHFFFAOYSA-N 0 0 345.251 4.050 50 0 EIAARN Cc1ccc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nn1 ZINC000067612533 215169101 /nfs/dbraw/zinc/16/91/01/215169101.db2.gz BVRCVIFTMNGUCU-UHFFFAOYSA-N 0 0 332.407 4.398 50 0 EIAARN Cc1sc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc1-c1ccc(C)cc1 ZINC000067630496 215170672 /nfs/dbraw/zinc/17/06/72/215170672.db2.gz KPZDCXZHTWBGGQ-GJZGRUSLSA-N 0 0 340.448 4.107 50 0 EIAARN Cc1ccc(NC2(c3nc(CN(C)C)no3)CCCCC2)cc1C ZINC000067655053 215175812 /nfs/dbraw/zinc/17/58/12/215175812.db2.gz BCJUPUVVWXFIGH-UHFFFAOYSA-N 0 0 328.460 4.020 50 0 EIAARN CC(C)Nc1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1 ZINC000067754349 215203347 /nfs/dbraw/zinc/20/33/47/215203347.db2.gz GOHXTJANVPDENJ-SFHVURJKSA-N 0 0 337.467 4.312 50 0 EIAARN CC(C)(C)SCCNC(=O)CSCc1ccc(Cl)cc1 ZINC000002990037 209951185 /nfs/dbraw/zinc/95/11/85/209951185.db2.gz WTBDHFQIHZWVPU-UHFFFAOYSA-N 0 0 331.934 4.221 50 0 EIAARN COc1ccccc1OCCOCCOc1ccc(C(C)C)cc1 ZINC000002983566 209949529 /nfs/dbraw/zinc/94/95/29/209949529.db2.gz JNFGIIPMUPVWMW-UHFFFAOYSA-N 0 0 330.424 4.293 50 0 EIAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCCCC1)c2-n1cccc1 ZINC000002960592 209946636 /nfs/dbraw/zinc/94/66/36/209946636.db2.gz XLLJUXLIONECDU-UHFFFAOYSA-N 0 0 339.464 4.330 50 0 EIAARN CCCCC(=O)Nc1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC000067790572 215213777 /nfs/dbraw/zinc/21/37/77/215213777.db2.gz GOGMYJAYOOESQB-UHFFFAOYSA-N 0 0 349.434 4.227 50 0 EIAARN COc1cccc(NC(=O)NCCSc2ccc(Cl)cc2)c1 ZINC000002933936 209942818 /nfs/dbraw/zinc/94/28/18/209942818.db2.gz WOGWSGDKFCJCPV-UHFFFAOYSA-N 0 0 336.844 4.262 50 0 EIAARN COc1cccc(OCCCOc2ccc(Br)cc2)c1 ZINC000002904381 209938852 /nfs/dbraw/zinc/93/88/52/209938852.db2.gz CKLJTYXBWCSTJR-UHFFFAOYSA-N 0 0 337.213 4.306 50 0 EIAARN Cc1nc([C@@H](C)N(C)Cc2ccc(-n3ccnc3)cc2)c(C)s1 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Cc1cc2nc(-c3cccs3)cc(C(F)(F)C(F)(F)F)n2n1 ZINC000002802785 209918041 /nfs/dbraw/zinc/91/80/41/209918041.db2.gz DMXGLTZSQJKOLO-UHFFFAOYSA-N 0 0 333.285 4.420 50 0 EIAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1cccnc1)CCO2 ZINC000067974418 215264184 /nfs/dbraw/zinc/26/41/84/215264184.db2.gz NVTIHOVGVMNBDK-UHFFFAOYSA-N 0 0 346.430 4.157 50 0 EIAARN CCc1sc(C(=O)[O-])cc1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000067956142 215261284 /nfs/dbraw/zinc/26/12/84/215261284.db2.gz POITXNVBNKJRQS-CYBMUJFWSA-N 0 0 345.464 4.069 50 0 EIAARN Oc1ccccc1CCCn1cnc(-c2ccccc2)c1-c1ncc[nH]1 ZINC000067967972 215261519 /nfs/dbraw/zinc/26/15/19/215261519.db2.gz WFNKJOIGNMVHTR-UHFFFAOYSA-N 0 0 344.418 4.279 50 0 EIAARN Cc1ccc([C@@H](C)NC(=O)c2ccn(COc3ccccc3)n2)c(C)c1 ZINC000002800437 209916286 /nfs/dbraw/zinc/91/62/86/209916286.db2.gz GPEHKRCXWIVZQB-QGZVFWFLSA-N 0 0 349.434 4.027 50 0 EIAARN Cc1ccc(CNC(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000002737569 209899852 /nfs/dbraw/zinc/89/98/52/209899852.db2.gz BAFMWYGOHPNVPW-DHZHZOJOSA-N 0 0 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331.415 4.268 50 0 EIAARN Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000039549150 213240138 /nfs/dbraw/zinc/24/01/38/213240138.db2.gz HMRRATXXKYWECZ-JTQLQIEISA-N 0 0 337.448 4.208 50 0 EIAARN Cc1nc2sc(C(=O)N3CCC(C)CC3)c(N)c2c(C)c1Cl ZINC000001430834 209747684 /nfs/dbraw/zinc/74/76/84/209747684.db2.gz MUNDPJGBRAEPEA-UHFFFAOYSA-N 0 0 337.876 4.021 50 0 EIAARN CCn1cc(C(=O)Nc2ccccc2C(C)C)c(=O)c2ccc(C)nc21 ZINC000039200820 213231661 /nfs/dbraw/zinc/23/16/61/213231661.db2.gz GAOMXGDRGCGIEO-UHFFFAOYSA-N 0 0 349.434 4.101 50 0 EIAARN O=C(Nc1cccc(F)c1)c1cccnc1Nc1cccc(F)c1 ZINC000001075588 209708148 /nfs/dbraw/zinc/70/81/48/209708148.db2.gz CHRVLUBAQUFTOJ-UHFFFAOYSA-N 0 0 325.318 4.356 50 0 EIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000001059676 209706231 /nfs/dbraw/zinc/70/62/31/209706231.db2.gz NZYXUANQJISHGM-MRXNPFEDSA-N 0 0 336.435 4.262 50 0 EIAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1C(F)(F)F ZINC000038717001 213222274 /nfs/dbraw/zinc/22/22/74/213222274.db2.gz AECXBUMTCDAUHB-UHFFFAOYSA-N 0 0 331.297 4.348 50 0 EIAARN Cc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)o1 ZINC000000981552 209697896 /nfs/dbraw/zinc/69/78/96/209697896.db2.gz KIDBBOFKXJCOCK-WJDWOHSUSA-N 0 0 343.404 4.012 50 0 EIAARN CCCC(=O)Nc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000000619914 209683583 /nfs/dbraw/zinc/68/35/83/209683583.db2.gz UQUXDAOSMNFCHF-MRXNPFEDSA-N 0 0 338.451 4.176 50 0 EIAARN O=C(Nc1nnc(Cc2ccc(F)cc2)o1)Nc1ccccc1Cl ZINC000038548739 213215280 /nfs/dbraw/zinc/21/52/80/213215280.db2.gz MWKYANRSUBTZCM-UHFFFAOYSA-N 0 0 346.749 4.097 50 0 EIAARN COc1cc2cccnc2c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000038490503 213210973 /nfs/dbraw/zinc/21/09/73/213210973.db2.gz CLNRROVAIGIZNN-UHFFFAOYSA-N 0 0 344.773 4.217 50 0 EIAARN COc1cccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000572093 209669437 /nfs/dbraw/zinc/66/94/37/209669437.db2.gz SDOAZRZMQWJIEF-UHFFFAOYSA-N 0 0 339.174 4.042 50 0 EIAARN CCOc1ccc(Nc2cc(C(=O)OC)nc3c(C)cccc23)cc1 ZINC000038487131 213209760 /nfs/dbraw/zinc/20/97/60/213209760.db2.gz AUXWQCMRIWLZLL-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1Cl ZINC000000555838 209662588 /nfs/dbraw/zinc/66/25/88/209662588.db2.gz MUKVPCSXOCFUEA-UHFFFAOYSA-N 0 0 331.828 4.256 50 0 EIAARN C[C@H](N[C@@H](C)c1nnnn1-c1ccccc1)c1cc2ccccc2s1 ZINC000184367509 235378994 /nfs/dbraw/zinc/37/89/94/235378994.db2.gz MCGHRLKZGQDIDU-KBPBESRZSA-N 0 0 349.463 4.289 50 0 EIAARN Cc1ccc([C@H]2N(c3cccc(Cl)c3)C(=O)N3CCCN23)cc1 ZINC000000547269 209659474 /nfs/dbraw/zinc/65/94/74/209659474.db2.gz KXKLSSBTIXVEBA-QGZVFWFLSA-N 0 0 327.815 4.210 50 0 EIAARN CC[C@@H](C)c1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000505055 209638864 /nfs/dbraw/zinc/63/88/64/209638864.db2.gz RDGIWPDOCHQLBQ-CYBMUJFWSA-N 0 0 344.407 4.445 50 0 EIAARN COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2)n1 ZINC000000498605 209636565 /nfs/dbraw/zinc/63/65/65/209636565.db2.gz SZHCNKWXLVKBFU-UHFFFAOYSA-N 0 0 329.359 4.474 50 0 aggregator EIAARN CCN(C)C(=O)c1cc2sc(C)cc2n1Cc1ccccc1OC ZINC000037587581 213159912 /nfs/dbraw/zinc/15/99/12/213159912.db2.gz KBMGQDQJDYGSRG-UHFFFAOYSA-N 0 0 342.464 4.160 50 0 EIAARN Cc1c2cccc(C)c2oc1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000069847912 215606054 /nfs/dbraw/zinc/60/60/54/215606054.db2.gz PPHOYKDMRSIFCL-UHFFFAOYSA-N 0 0 342.782 4.054 50 0 EIAARN CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)c(F)c1 ZINC000037526769 213154672 /nfs/dbraw/zinc/15/46/72/213154672.db2.gz ONASWNCMCWTISH-UHFFFAOYSA-N 0 0 334.391 4.169 50 0 EIAARN COc1ccc(Cn2c(C(=O)NCC(C)C)cc3sccc32)cc1 ZINC000037541445 213154142 /nfs/dbraw/zinc/15/41/42/213154142.db2.gz JKMPAYNMWQYJEX-UHFFFAOYSA-N 0 0 342.464 4.146 50 0 EIAARN CCCn1c(C(=O)NCCc2ccccc2OC)cc2sccc21 ZINC000037525477 213152557 /nfs/dbraw/zinc/15/25/57/213152557.db2.gz AIPUQBLONZZLDK-UHFFFAOYSA-N 0 0 342.464 4.094 50 0 EIAARN O=S(=O)(Cc1csc(-c2ccccc2F)n1)Cc1ccccc1 ZINC000069876440 215616115 /nfs/dbraw/zinc/61/61/15/215616115.db2.gz IUSNFYBXUCYDCN-UHFFFAOYSA-N 0 0 347.436 4.064 50 0 EIAARN CCN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000000482653 209629458 /nfs/dbraw/zinc/62/94/58/209629458.db2.gz TUDBVAPFVKUWAR-UHFFFAOYSA-N 0 0 338.234 4.421 50 0 EIAARN CSc1nc(C)c(CC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000037171287 213134726 /nfs/dbraw/zinc/13/47/26/213134726.db2.gz QZXPBCCTDKQXRR-STQMWFEESA-N 0 0 340.558 4.437 50 0 EIAARN CC(C)(C)c1nc(CSc2nc3ccccc3n2C(F)F)no1 ZINC000037170760 213133917 /nfs/dbraw/zinc/13/39/17/213133917.db2.gz YANRPDRRGZPGPC-UHFFFAOYSA-N 0 0 338.383 4.404 50 0 EIAARN Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccccc1Cl ZINC000000485818 209630900 /nfs/dbraw/zinc/63/09/00/209630900.db2.gz KJBOBXYMSKBVHS-UHFFFAOYSA-N 0 0 327.767 4.316 50 0 biogenic EIAARN Cc1sc(NC(=O)c2ccccc2C)c(C(=O)OC(C)C)c1C ZINC000000483843 209629903 /nfs/dbraw/zinc/62/99/03/209629903.db2.gz BPZHAZUUHVNVAN-UHFFFAOYSA-N 0 0 331.437 4.491 50 0 EIAARN CC(=O)c1cccc(NC(=O)C=Cc2ccc(Br)cc2)c1 ZINC000000474190 209624838 /nfs/dbraw/zinc/62/48/38/209624838.db2.gz BQWIAMHRNINRAZ-JXMROGBWSA-N 0 0 344.208 4.304 50 0 EIAARN CCOc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000000474752 209625063 /nfs/dbraw/zinc/62/50/63/209625063.db2.gz PSUJGUOYKSGDSG-LFYBBSHMSA-N 0 0 346.224 4.500 50 0 EIAARN CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(C)cc1C ZINC000000467114 209618037 /nfs/dbraw/zinc/61/80/37/209618037.db2.gz VRCAMKXOJMGPJX-UHFFFAOYSA-N 0 0 340.423 4.060 50 0 EIAARN CCOc1ccc(OCc2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000000468118 209620008 /nfs/dbraw/zinc/62/00/08/209620008.db2.gz FOUXDMSQCFELCX-UHFFFAOYSA-N 0 0 327.424 4.146 50 0 EIAARN Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 ZINC000000459362 209614228 /nfs/dbraw/zinc/61/42/28/209614228.db2.gz FVWAAOMTWGZPCD-UHFFFAOYSA-N 0 0 345.192 4.443 50 0 biogenic EIAARN O=C(C1CCCC1)N(Cc1cccnc1)c1nc2ccccc2s1 ZINC000036675499 213108603 /nfs/dbraw/zinc/10/86/03/213108603.db2.gz RFDNRSYDICVJJK-UHFFFAOYSA-N 0 0 337.448 4.415 50 0 EIAARN CCOc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000000450664 209608618 /nfs/dbraw/zinc/60/86/18/209608618.db2.gz VYQYSKSWXDUNGZ-UHFFFAOYSA-N 0 0 342.464 4.336 50 0 EIAARN CCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)c2ccccc12 ZINC000036636348 213106472 /nfs/dbraw/zinc/10/64/72/213106472.db2.gz KYWZXZDOXCUTRC-HNNXBMFYSA-N 0 0 347.480 4.192 50 0 EIAARN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccccc1F ZINC000036621054 213105059 /nfs/dbraw/zinc/10/50/59/213105059.db2.gz WDHPOLIMFDSLQZ-MRXNPFEDSA-N 0 0 339.819 4.005 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000036621148 213104845 /nfs/dbraw/zinc/10/48/45/213104845.db2.gz ITAICSUFDYPZKK-ZDUSSCGKSA-N 0 0 341.885 4.236 50 0 EIAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000036390510 213094717 /nfs/dbraw/zinc/09/47/17/213094717.db2.gz SDDYUTYBFAEAHK-FZKQIMNGSA-N 0 0 325.408 4.151 50 0 EIAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000036394259 213097121 /nfs/dbraw/zinc/09/71/21/213097121.db2.gz BPLVALBWYSXPNG-GFCCVEGCSA-N 0 0 342.345 4.453 50 0 EIAARN CC1CCC(NC(=O)CNc2ccc(SC(F)F)cc2)CC1 ZINC000036396162 213097181 /nfs/dbraw/zinc/09/71/81/213097181.db2.gz UVYQMTBVLATFTO-UHFFFAOYSA-N 0 0 328.428 4.108 50 0 EIAARN C[C@H](NC(=O)CCc1cccs1)c1cccc(OC(F)F)c1 ZINC000036392768 213095709 /nfs/dbraw/zinc/09/57/09/213095709.db2.gz VULWBPKJVIAYHL-NSHDSACASA-N 0 0 325.380 4.160 50 0 EIAARN COc1cccc(CNC(=O)c2ccccc2SC(F)(F)F)c1 ZINC000036394019 213095717 /nfs/dbraw/zinc/09/57/17/213095717.db2.gz KZQFDZBDDRLCTJ-UHFFFAOYSA-N 0 0 341.354 4.237 50 0 EIAARN CC(C)c1ccc(NC(=O)CCc2nc(Cc3ccccc3)no2)cc1 ZINC000036391466 213095049 /nfs/dbraw/zinc/09/50/49/213095049.db2.gz JEFLJNLSNSIMIS-UHFFFAOYSA-N 0 0 349.434 4.355 50 0 EIAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccs2)cc1 ZINC000036360606 213091021 /nfs/dbraw/zinc/09/10/21/213091021.db2.gz YPSIPMZCPCPUTJ-CYBMUJFWSA-N 0 0 325.393 4.066 50 0 EIAARN COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2ccsc2)c1 ZINC000036366288 213090646 /nfs/dbraw/zinc/09/06/46/213090646.db2.gz PJWQOOLLCHQNOB-AWEZNQCLSA-N 0 0 325.393 4.066 50 0 EIAARN O=C1C[C@H](c2cccc(F)c2F)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036357930 213088901 /nfs/dbraw/zinc/08/89/01/213088901.db2.gz SXSUNFSOKIAGHE-CYBMUJFWSA-N 0 0 343.308 4.413 50 0 EIAARN O=C(Nc1ccc(Cl)cn1)c1cc(Br)ccc1Cl ZINC000000444310 209604236 /nfs/dbraw/zinc/60/42/36/209604236.db2.gz QFZQLDOCLYXWHM-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN Cc1ccccc1C(=O)N1CCC[C@@H](OCc2ccc(F)c(F)c2)C1 ZINC000036315123 213083229 /nfs/dbraw/zinc/08/32/29/213083229.db2.gz RKNYEVQVDRPWPT-MRXNPFEDSA-N 0 0 345.389 4.095 50 0 EIAARN CCC(=O)N(Cc1csc(COc2cccc(C)c2)n1)C(C)C ZINC000036106402 213069147 /nfs/dbraw/zinc/06/91/47/213069147.db2.gz DNGVQPHWPNIWRU-UHFFFAOYSA-N 0 0 332.469 4.178 50 0 EIAARN CCC(=O)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C1CC1 ZINC000036106996 213068732 /nfs/dbraw/zinc/06/87/32/213068732.db2.gz BMHAANRDDFHPNP-UHFFFAOYSA-N 0 0 344.480 4.240 50 0 EIAARN Cc1cc(C)c(C)c(OCc2nc(C(=O)NCC(C)C)cs2)c1 ZINC000036084222 213060684 /nfs/dbraw/zinc/06/06/84/213060684.db2.gz XXKFXVYOHUOMAY-UHFFFAOYSA-N 0 0 332.469 4.033 50 0 EIAARN Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000441623 209601653 /nfs/dbraw/zinc/60/16/53/209601653.db2.gz PGCULNYMDLOJPI-GFCCVEGCSA-N 0 0 338.234 4.386 50 0 EIAARN O=S(=O)(c1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1 ZINC000036047531 213057852 /nfs/dbraw/zinc/05/78/52/213057852.db2.gz VOPZMTMMHGSZLA-UHFFFAOYSA-N 0 0 344.244 4.436 50 0 EIAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000036020409 213056828 /nfs/dbraw/zinc/05/68/28/213056828.db2.gz UPBHDNBADOAHCA-BPSSIEEOSA-N 0 0 332.484 4.242 50 0 EIAARN Cc1ccccc1C(=O)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000035818467 213050713 /nfs/dbraw/zinc/05/07/13/213050713.db2.gz YGGQBGFFWJEDGB-FQEVSTJZSA-N 0 0 334.394 4.181 50 0 EIAARN Cc1ccc(Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)nn1 ZINC000035597946 213041160 /nfs/dbraw/zinc/04/11/60/213041160.db2.gz NERNPYMVUVMSHS-RIYZIHGNSA-N 0 0 330.391 4.181 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CCOC34CCCCC4)no2)cc1C ZINC000035671058 213044619 /nfs/dbraw/zinc/04/46/19/213044619.db2.gz JFVKUDABWXCLCC-UHFFFAOYSA-N 0 0 340.423 4.091 50 0 EIAARN COc1ccc([C@H](CC(=O)N2CCCC2)c2c[nH]c3ccccc32)cc1 ZINC000035579535 213038863 /nfs/dbraw/zinc/03/88/63/213038863.db2.gz UHPOEJFQGVREKD-IBGZPJMESA-N 0 0 348.446 4.321 50 0 EIAARN CCc1nc(-c2cc(NC(=O)c3ccc(F)cc3)c(C)s2)no1 ZINC000035554812 213037930 /nfs/dbraw/zinc/03/79/30/213037930.db2.gz LHTOYLYSWOGHOT-UHFFFAOYSA-N 0 0 331.372 4.060 50 0 EIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(C)c(F)c1 ZINC000035536570 213036094 /nfs/dbraw/zinc/03/60/94/213036094.db2.gz DQYRNXOJLKZVAQ-UHFFFAOYSA-N 0 0 328.318 4.489 50 0 EIAARN Cc1ccc2ccc3cc(C(=O)N4CCc5ccccc54)[nH]c3c2n1 ZINC000035477829 213031508 /nfs/dbraw/zinc/03/15/08/213031508.db2.gz CUOOTKWBCUHVRG-UHFFFAOYSA-N 0 0 327.387 4.227 50 0 EIAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccccc1Cl ZINC000035476395 213031606 /nfs/dbraw/zinc/03/16/06/213031606.db2.gz PICLNQMUQNVWNZ-HNNXBMFYSA-N 0 0 329.783 4.046 50 0 EIAARN Cn1c2ccccc2cc([C@H]2SCC(=O)Nc3ccsc32)c1=O ZINC000071279391 215748784 /nfs/dbraw/zinc/74/87/84/215748784.db2.gz LZIGYUMHIODUEJ-OAHLLOKOSA-N 0 0 342.445 4.024 50 0 EIAARN CC[C@@H](C(=O)Nc1ccccc1)n1c(C(=O)OC)cc2ccsc21 ZINC000035397127 213025376 /nfs/dbraw/zinc/02/53/76/213025376.db2.gz ISBWQROLXXMVQK-AWEZNQCLSA-N 0 0 342.420 4.079 50 0 EIAARN COc1ccc(C2=N/C(=C\c3ccc(C)cc3)C(=O)O2)c(Cl)c1 ZINC000000430663 209596693 /nfs/dbraw/zinc/59/66/93/209596693.db2.gz IMQPZBJQEOORTP-SXGWCWSVSA-N 0 0 327.767 4.002 50 0 EIAARN CCOc1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000034928416 213000980 /nfs/dbraw/zinc/00/09/80/213000980.db2.gz GYSVIVJAMQLKFM-UHFFFAOYSA-N 0 0 335.407 4.157 50 0 EIAARN CCNC(=S)N(CCc1c(C)[nH]c2ccccc21)Cc1ccco1 ZINC000000429604 209595723 /nfs/dbraw/zinc/59/57/23/209595723.db2.gz OTURCHZGAMOODV-UHFFFAOYSA-N 0 0 341.480 4.008 50 0 EIAARN O=C(Nc1c(Cc2ccccc2)nc2ccccn21)C1CCCCC1 ZINC000034913093 212998564 /nfs/dbraw/zinc/99/85/64/212998564.db2.gz PLLCNFBYWDWTOP-UHFFFAOYSA-N 0 0 333.435 4.444 50 0 EIAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C2CCCC2)cc1 ZINC000034912774 212996946 /nfs/dbraw/zinc/99/69/46/212996946.db2.gz ZWGHVJFCPHEJFA-UHFFFAOYSA-N 0 0 349.434 4.447 50 0 EIAARN CC(C)CNC(=O)c1csc(-c2ccccc2OCC(C)C)n1 ZINC000034714512 212984282 /nfs/dbraw/zinc/98/42/82/212984282.db2.gz NDRABSDRROITJD-UHFFFAOYSA-N 0 0 332.469 4.231 50 0 EIAARN CC(C)(C)c1nc(-c2ccc(OCC(=O)c3ccccc3)cc2)no1 ZINC000034680373 212982118 /nfs/dbraw/zinc/98/21/18/212982118.db2.gz YEBOPUVJXJDPEL-UHFFFAOYSA-N 0 0 336.391 4.296 50 0 EIAARN Cc1ccccc1Cc1nnc2sc(/C=C\c3ccccc3)nn12 ZINC000033766743 212963411 /nfs/dbraw/zinc/96/34/11/212963411.db2.gz MRXIOVVTVOUZEO-QXMHVHEDSA-N 0 0 332.432 4.255 50 0 EIAARN O=C(CSc1nccn1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000000427349 209592207 /nfs/dbraw/zinc/59/22/07/209592207.db2.gz BZRMJJCROVWJTC-UHFFFAOYSA-N 0 0 343.839 4.257 50 0 EIAARN COc1ccccc1/C=C\c1nn2c(nnc2-c2ccc(C)cc2)s1 ZINC000033476915 212942808 /nfs/dbraw/zinc/94/28/08/212942808.db2.gz IZVYYUJUEFSXII-QXMHVHEDSA-N 0 0 348.431 4.340 50 0 EIAARN COC(=O)c1ccc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1 ZINC000033317243 212923952 /nfs/dbraw/zinc/92/39/52/212923952.db2.gz XVNLRSYWIAPBMJ-AUWJEWJLSA-N 0 0 337.419 4.423 50 0 EIAARN CC(C)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000071829980 215861466 /nfs/dbraw/zinc/86/14/66/215861466.db2.gz JFLHBPPUNHHUBJ-INIZCTEOSA-N 0 0 348.393 4.199 50 0 EIAARN COC(=O)c1sccc1NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000033314004 212921306 /nfs/dbraw/zinc/92/13/06/212921306.db2.gz XKCQULCITNGAHQ-YFHOEESVSA-N 0 0 343.448 4.484 50 0 EIAARN CCOC(=O)c1c(C)oc2ncnc(NCCC3=CCCCC3)c21 ZINC000033250171 212909149 /nfs/dbraw/zinc/90/91/49/212909149.db2.gz IDHXFWUJQSBSOC-UHFFFAOYSA-N 0 0 329.400 4.010 50 0 EIAARN COc1cccc2cc(/C=C/C(=O)N(Cc3cccnc3)C3CC3)oc21 ZINC000032970090 212883262 /nfs/dbraw/zinc/88/32/62/212883262.db2.gz NWHVLQVPAOONGE-MDZDMXLPSA-N 0 0 348.402 4.041 50 0 EIAARN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@H]1c1ccco1 ZINC000033012301 212887737 /nfs/dbraw/zinc/88/77/37/212887737.db2.gz WZGCOTUKGNEPDL-HNNXBMFYSA-N 0 0 326.327 4.051 50 0 EIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)no2)cc1 ZINC000000423650 209585677 /nfs/dbraw/zinc/58/56/77/209585677.db2.gz SEUGIDUNXGLDDM-UHFFFAOYSA-N 0 0 346.745 4.395 50 0 EIAARN CC(C)N(C[C@H]1COc2ccccc2C1)C(=O)c1ccc(Cl)cc1 ZINC000032985071 212883897 /nfs/dbraw/zinc/88/38/97/212883897.db2.gz STGOCKRYXBNVAH-HNNXBMFYSA-N 0 0 343.854 4.442 50 0 EIAARN CC[C@@H](C)NC(=O)NC(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000032948849 212879652 /nfs/dbraw/zinc/87/96/52/212879652.db2.gz LQOHVUNTZJSZSZ-CQSZACIVSA-N 0 0 346.421 4.216 50 0 EIAARN COc1ccc(OC)c(CSCc2nc(-c3ccccc3)no2)c1 ZINC000032909495 212868326 /nfs/dbraw/zinc/86/83/26/212868326.db2.gz VHEPDWWXDSVVBO-UHFFFAOYSA-N 0 0 342.420 4.187 50 0 EIAARN O=S(=O)(c1cc(Cl)ccc1Cl)N(C1CC1)C1CCCC1 ZINC000032824057 212851123 /nfs/dbraw/zinc/85/11/23/212851123.db2.gz FGKYNHJHXWZOJE-UHFFFAOYSA-N 0 0 334.268 4.089 50 0 EIAARN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000032796987 212844488 /nfs/dbraw/zinc/84/44/88/212844488.db2.gz WKNZMBZXCXCGHL-NWDGAFQWSA-N 0 0 344.377 4.141 50 0 EIAARN C/C=C/c1cc(C(=O)N(C)Cc2cccs2)cc(OC)c1OC ZINC000032841535 212855513 /nfs/dbraw/zinc/85/55/13/212855513.db2.gz WIORKUMVDZAOQQ-FNORWQNLSA-N 0 0 331.437 4.071 50 0 EIAARN Cc1ccccc1OCCN(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000032759857 212836947 /nfs/dbraw/zinc/83/69/47/212836947.db2.gz FAVCZXNWQYNRGM-UHFFFAOYSA-N 0 0 342.826 4.281 50 0 EIAARN CCOc1cc2c(cc1NC(=O)c1cc3c(s1)CCC3)O[C@@H](C)C2 ZINC000032756244 212835557 /nfs/dbraw/zinc/83/55/57/212835557.db2.gz PEOXLVMVRMQJNN-NSHDSACASA-N 0 0 343.448 4.211 50 0 EIAARN CCO[C@H](C)c1nc(CC(=O)N(CC)[C@@H]2CCCC[C@@H]2C)cs1 ZINC000071910045 215953581 /nfs/dbraw/zinc/95/35/81/215953581.db2.gz HOYAPFPYCFSQDE-SQWLQELKSA-N 0 0 338.517 4.210 50 0 EIAARN Cc1noc(C)c1CC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000071920745 215968971 /nfs/dbraw/zinc/96/89/71/215968971.db2.gz QBKKTIKRRHYEOJ-HNNXBMFYSA-N 0 0 326.440 4.224 50 0 EIAARN COc1ccc(N(Cc2cccs2)C(=O)c2scnc2C)cc1 ZINC000071971362 215983401 /nfs/dbraw/zinc/98/34/01/215983401.db2.gz UUGDAWPJJCHTKQ-UHFFFAOYSA-N 0 0 344.461 4.369 50 0 EIAARN O=C(N[C@H](c1cccs1)C1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000032397095 212799768 /nfs/dbraw/zinc/79/97/68/212799768.db2.gz PRIQLJHURKCEMY-WMZOPIPTSA-N 0 0 327.449 4.099 50 0 EIAARN Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)n1 ZINC000032119253 212791430 /nfs/dbraw/zinc/79/14/30/212791430.db2.gz MRGBMGDYUADXTP-OQLLNIDSSA-N 0 0 344.823 4.280 50 0 aggregator EIAARN O=S(=O)(Cc1ccccc1F)Oc1ccccc1-c1ccccc1 ZINC000072085865 216005326 /nfs/dbraw/zinc/00/53/26/216005326.db2.gz JVFKSMHDVBZJCP-UHFFFAOYSA-N 0 0 342.391 4.402 50 0 EIAARN Cc1ccc2cccc(NC(=O)c3ccn(-c4ccccc4F)n3)c2n1 ZINC000072090869 216006659 /nfs/dbraw/zinc/00/66/59/216006659.db2.gz IAAXILNYXROIIT-UHFFFAOYSA-N 0 0 346.365 4.120 50 0 EIAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1cccc(CO)c1 ZINC000072120254 216013301 /nfs/dbraw/zinc/01/33/01/216013301.db2.gz QYLHWTOKBAOYHK-GJZGRUSLSA-N 0 0 326.440 4.132 50 0 EIAARN CC[C@H](Nc1cc(-c2ccccc2)nc2ccnn21)c1ccncc1 ZINC000072149999 216038600 /nfs/dbraw/zinc/03/86/00/216038600.db2.gz NOERHVAKXDTFKS-KRWDZBQOSA-N 0 0 329.407 4.355 50 0 EIAARN O=C(Nc1ccccc1)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072150572 216038722 /nfs/dbraw/zinc/03/87/22/216038722.db2.gz OPTOXQPPCSLKSE-KRWDZBQOSA-N 0 0 338.386 4.461 50 0 EIAARN COc1ccc(-c2nn(-c3ccccc3C)cc2-c2ncc[nH]2)cc1F ZINC000072158486 216048863 /nfs/dbraw/zinc/04/88/63/216048863.db2.gz BEVVXMFJLALQRN-UHFFFAOYSA-N 0 0 348.381 4.386 50 0 EIAARN Cn1cnc2c3c4c(c(C5CCCCC5)nc3sc2c1=O)CCC4 ZINC000031820720 212750535 /nfs/dbraw/zinc/75/05/35/212750535.db2.gz KRJDLRUVFKZYGF-UHFFFAOYSA-N 0 0 339.464 4.080 50 0 EIAARN CC(C)c1noc([C@@H](C)n2ccnc2-c2ccnc3ccccc32)n1 ZINC000072174565 216065283 /nfs/dbraw/zinc/06/52/83/216065283.db2.gz JAQLOMRYIDXXTR-CYBMUJFWSA-N 0 0 333.395 4.214 50 0 EIAARN C[C@H](NS(=O)(=O)CC1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000072230404 216070913 /nfs/dbraw/zinc/07/09/13/216070913.db2.gz HHSPNPDKQQZKQX-LBPRGKRZSA-N 0 0 349.418 4.266 50 0 EIAARN O=S(=O)(CC1CCCCC1)NC(c1ccccc1)c1ccccc1 ZINC000072230359 216071283 /nfs/dbraw/zinc/07/12/83/216071283.db2.gz KTOGWNJNWVIZSZ-UHFFFAOYSA-N 0 0 343.492 4.276 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c(C)o1 ZINC000031389720 212732555 /nfs/dbraw/zinc/73/25/55/212732555.db2.gz OVLJCSYZOPXEDW-HNNXBMFYSA-N 0 0 326.421 4.483 50 0 EIAARN CC[C@@H](C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1)c1ccccc1 ZINC000072232244 216072959 /nfs/dbraw/zinc/07/29/59/216072959.db2.gz IYASMZHQYJQLQN-DLBZAZTESA-N 0 0 341.455 4.093 50 0 EIAARN CCCOc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 ZINC000072264321 216086331 /nfs/dbraw/zinc/08/63/31/216086331.db2.gz VWXDBOFNHQVPOQ-UHFFFAOYSA-N 0 0 335.350 4.007 50 0 EIAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc3ncccc32)s1 ZINC000072270329 216092613 /nfs/dbraw/zinc/09/26/13/216092613.db2.gz DUGOXBAXPMEQLM-GFCCVEGCSA-N 0 0 325.437 4.141 50 0 EIAARN Cc1csc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)n1 ZINC000072281496 216109681 /nfs/dbraw/zinc/10/96/81/216109681.db2.gz ALJIETKRNXQNRI-UHFFFAOYSA-N 0 0 338.480 4.196 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)c(Br)c1 ZINC000000405627 209570752 /nfs/dbraw/zinc/57/07/52/209570752.db2.gz WLFNOSLFAFZPFJ-GFCCVEGCSA-N 0 0 334.213 4.164 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1 ZINC000000401888 209569547 /nfs/dbraw/zinc/56/95/47/209569547.db2.gz XSHQIVYUCNYQRT-UHFFFAOYSA-N 0 0 340.608 4.450 50 0 EIAARN O=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)C[C@H]1CCCO1 ZINC000000359162 209550177 /nfs/dbraw/zinc/55/01/77/209550177.db2.gz RTYHFZTTZLLCNX-OAQYLSRUSA-N 0 0 335.447 4.385 50 0 EIAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Br ZINC000000364662 209553573 /nfs/dbraw/zinc/55/35/73/209553573.db2.gz VQHOTITYBPYLLP-GFCCVEGCSA-N 0 0 334.213 4.164 50 0 EIAARN CC(=O)Nc1cc(NC(=O)Nc2ccc(Cl)cc2F)ccc1C ZINC000072282499 216112624 /nfs/dbraw/zinc/11/26/24/216112624.db2.gz OVQOZOKCKGNZQW-UHFFFAOYSA-N 0 0 335.766 4.390 50 0 EIAARN Cn1cnnc1-c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000310279 209528584 /nfs/dbraw/zinc/52/85/84/209528584.db2.gz HSPJTPVLMSYOMR-UHFFFAOYSA-N 0 0 347.205 4.041 50 0 EIAARN Cc1c(C(=O)NCCOc2ccc(F)cc2)sc2cccc(F)c12 ZINC000030131461 212690938 /nfs/dbraw/zinc/69/09/38/212690938.db2.gz OAKRLUUQAIZHSC-UHFFFAOYSA-N 0 0 347.386 4.297 50 0 EIAARN CSc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000000272259 209512918 /nfs/dbraw/zinc/51/29/18/209512918.db2.gz KZEBUFVIMSSWFI-UHFFFAOYSA-N 0 0 329.450 4.016 50 0 EIAARN CC(=O)Nc1cc(NC(=O)NC(C)(C)c2cccc(C)c2)ccc1C ZINC000072290919 216125945 /nfs/dbraw/zinc/12/59/45/216125945.db2.gz XZYZFJDCNGWVEZ-UHFFFAOYSA-N 0 0 339.439 4.319 50 0 EIAARN Cc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000000258901 209507134 /nfs/dbraw/zinc/50/71/34/209507134.db2.gz PCCCLZWXVQMHKT-UHFFFAOYSA-N 0 0 325.195 4.023 50 0 EIAARN Cc1ccccc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000000241446 209500801 /nfs/dbraw/zinc/50/08/01/209500801.db2.gz PICGSDCTGOFIBY-NRFANRHFSA-N 0 0 344.414 4.046 50 0 EIAARN O=C(NCCc1cccc2cccnc21)c1ccccc1C(F)(F)F ZINC000029453890 212667287 /nfs/dbraw/zinc/66/72/87/212667287.db2.gz GIUVPFWYQJGVKH-UHFFFAOYSA-N 0 0 344.336 4.226 50 0 EIAARN CCCN(C(=O)Nc1ccc(OC)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000072305980 216144199 /nfs/dbraw/zinc/14/41/99/216144199.db2.gz FDNSIVRZMTWIHZ-IRXDYDNUSA-N 0 0 334.460 4.143 50 0 EIAARN O=S(=O)(c1ccccc1)c1cnc2cc(Cl)ccc2c1Cl ZINC000072329790 216153285 /nfs/dbraw/zinc/15/32/85/216153285.db2.gz LEGBWKJTKHUJRE-UHFFFAOYSA-N 0 0 338.215 4.374 50 0 EIAARN Cc1cc(C)cc(C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2C)c1 ZINC000000226298 209495471 /nfs/dbraw/zinc/49/54/71/209495471.db2.gz FJHHMJBLNFJIIM-KDOFPFPSSA-N 0 0 341.838 4.325 50 0 EIAARN Cc1cnc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)o1 ZINC000072307920 216145994 /nfs/dbraw/zinc/14/59/94/216145994.db2.gz NCQBKLAXCDFBGJ-UHFFFAOYSA-N 0 0 339.420 4.398 50 0 EIAARN CCCCO[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccccc3)o2)C1(C)C ZINC000072311071 216146779 /nfs/dbraw/zinc/14/67/79/216146779.db2.gz LDNZDFORIZAXHW-IAGOWNOFSA-N 0 0 343.471 4.152 50 0 EIAARN Cn1c2ccccc2nc1[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000000233907 209498261 /nfs/dbraw/zinc/49/82/61/209498261.db2.gz GUWSKXXRBBBLSP-OAQYLSRUSA-N 0 0 344.414 4.234 50 0 EIAARN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000029241181 212659155 /nfs/dbraw/zinc/65/91/55/212659155.db2.gz RGWGBODOBPNCAX-SECBINFHSA-N 0 0 341.354 4.461 50 0 EIAARN Cc1nn(C)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000028923016 212643899 /nfs/dbraw/zinc/64/38/99/212643899.db2.gz ZVAFGTLKTJTLPN-IBGZPJMESA-N 0 0 349.825 4.371 50 0 EIAARN CC(C)Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000190574 209474232 /nfs/dbraw/zinc/47/42/32/209474232.db2.gz JECFKUXVMBBLQZ-UHFFFAOYSA-N 0 0 338.359 4.018 50 0 biogenic EIAARN COc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2Cl)OC1=O ZINC000000176295 209464629 /nfs/dbraw/zinc/46/46/29/209464629.db2.gz NDNTUMKTKGBCEC-ZSOIEALJSA-N 0 0 348.185 4.347 50 0 EIAARN COc1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000000179158 209467399 /nfs/dbraw/zinc/46/73/99/209467399.db2.gz WRKZPQSNGRUOSZ-UHFFFAOYSA-N 0 0 336.416 4.170 50 0 EIAARN O=C1NCCCN1c1cccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129572610 223070293 /nfs/dbraw/zinc/07/02/93/223070293.db2.gz XZNTZBIJSPDRLO-CHWSQXEVSA-N 0 0 341.377 4.139 50 0 EIAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCc1ccccc1 ZINC000028574518 212625758 /nfs/dbraw/zinc/62/57/58/212625758.db2.gz PGOKKUQLROINBH-UHFFFAOYSA-N 0 0 333.435 4.120 50 0 EIAARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c(C)c1 ZINC000000150372 209452951 /nfs/dbraw/zinc/45/29/51/209452951.db2.gz CONRWDBCPFRZIS-ZDUSSCGKSA-N 0 0 348.240 4.472 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1 ZINC000000149044 209451598 /nfs/dbraw/zinc/45/15/98/209451598.db2.gz GDWYBPVTEAMZGG-UHFFFAOYSA-N 0 0 335.359 4.368 50 0 EIAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc2ccccc2o1 ZINC000000137654 209443939 /nfs/dbraw/zinc/44/39/39/209443939.db2.gz CIWAJIBTESFDQH-UHFFFAOYSA-N 0 0 346.338 4.247 50 0 biogenic EIAARN CCCCc1ccc(NC(=O)CCCc2nnc3ccccn32)cc1 ZINC000072402427 216194662 /nfs/dbraw/zinc/19/46/62/216194662.db2.gz MVDOCLBTHNVKNK-UHFFFAOYSA-N 0 0 336.439 4.033 50 0 EIAARN Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc4[nH]ccc4c3)c2)n1 ZINC000072403415 216194692 /nfs/dbraw/zinc/19/46/92/216194692.db2.gz FWVMTAORSGHZPG-UHFFFAOYSA-N 0 0 330.391 4.223 50 0 EIAARN CCOc1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000000132024 209440392 /nfs/dbraw/zinc/44/03/92/209440392.db2.gz HWZCWWONCJCWPK-UHFFFAOYSA-N 0 0 340.206 4.410 50 0 EIAARN Cc1ncsc1CCN(C)C(=O)Cc1coc2cc(C)cc(C)c12 ZINC000072407201 216198390 /nfs/dbraw/zinc/19/83/90/216198390.db2.gz ZTIZXIVPHBGHAC-UHFFFAOYSA-N 0 0 342.464 4.058 50 0 EIAARN FC(F)(F)c1ccc(NCn2nnc3cc(Cl)ccc32)cc1 ZINC000000103859 209422382 /nfs/dbraw/zinc/42/23/82/209422382.db2.gz AVKPVWKNCXUEQC-UHFFFAOYSA-N 0 0 326.709 4.173 50 0 EIAARN CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000070770 209401102 /nfs/dbraw/zinc/40/11/02/209401102.db2.gz QRICOXPRSCVAFP-WJDWOHSUSA-N 0 0 327.767 4.083 50 0 EIAARN COc1ccccc1NC(=O)c1c(Cl)ccc(Cl)c1OC ZINC000000094854 209416118 /nfs/dbraw/zinc/41/61/18/209416118.db2.gz GWNUJZIEZHOWJW-UHFFFAOYSA-N 0 0 326.179 4.263 50 0 EIAARN CC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cn1 ZINC000000069597 209399749 /nfs/dbraw/zinc/39/97/49/209399749.db2.gz MDTFXBUMKNQYQM-CYBMUJFWSA-N 0 0 347.827 4.386 50 0 EIAARN Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C4CCCC4)[C@@H]3C2=O)c(C)c1 ZINC000000069603 209399860 /nfs/dbraw/zinc/39/98/60/209399860.db2.gz OZIXVBVGNNNRFO-OBMJPTGESA-N 0 0 333.431 4.095 50 0 EIAARN Cc1sc(/C=C2/C(=O)ON=C2c2ccccc2)cc1Br ZINC000000067483 209398609 /nfs/dbraw/zinc/39/86/09/209398609.db2.gz VOJNSMMJLMDAFT-KPKJPENVSA-N 0 0 348.221 4.164 50 0 EIAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(F)(F)F ZINC000000062640 209396293 /nfs/dbraw/zinc/39/62/93/209396293.db2.gz LASKFGKVOJKTNF-UHFFFAOYSA-N 0 0 327.689 4.072 50 0 EIAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cn1 ZINC000000050981 209390555 /nfs/dbraw/zinc/39/05/55/209390555.db2.gz HZNIZUOHOUIRGH-UHFFFAOYSA-N 0 0 335.841 4.076 50 0 EIAARN CN(C)c1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000000048674 209389687 /nfs/dbraw/zinc/38/96/87/209389687.db2.gz SACZINPDBMDMKN-GOSISDBHSA-N 0 0 340.496 4.072 50 0 EIAARN 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/nfs/dbraw/zinc/18/11/66/241181166.db2.gz FKPTYKWYLAZMCY-LJQANCHMSA-N 0 0 327.424 4.088 50 0 EIAARN c1csc([C@@H]2CCCCN2Cc2ccc(-c3cc[nH]n3)s2)n1 ZINC000215392964 241123279 /nfs/dbraw/zinc/12/32/79/241123279.db2.gz ZZMRREJSYBHNBO-AWEZNQCLSA-N 0 0 330.482 4.322 50 0 EIAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2cccnc2C)CCS1 ZINC000219294397 241375280 /nfs/dbraw/zinc/37/52/80/241375280.db2.gz DKDPKANXTQYTEP-SFHVURJKSA-N 0 0 326.465 4.019 50 0 EIAARN Cc1ccccc1[C@@H]1CCN(C(=O)Cc2ccccc2F)CCS1 ZINC000219288160 241375580 /nfs/dbraw/zinc/37/55/80/241375580.db2.gz SFJZSHOOPHJJKE-IBGZPJMESA-N 0 0 343.467 4.383 50 0 EIAARN O=C(c1ccsc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219322837 241379850 /nfs/dbraw/zinc/37/98/50/241379850.db2.gz WBIGIQQLGLJHMX-HNNXBMFYSA-N 0 0 339.432 4.347 50 0 EIAARN O=C([C@@H]1Cc2ccccc2S1)N1CCC(Cc2ccccc2)CC1 ZINC000021970528 212267292 /nfs/dbraw/zinc/26/72/92/212267292.db2.gz MKXWMQMGNCDCTO-FQEVSTJZSA-N 0 0 337.488 4.185 50 0 EIAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000021960614 212266606 /nfs/dbraw/zinc/26/66/06/212266606.db2.gz AZKQXCNQNSUKFY-AWEZNQCLSA-N 0 0 338.382 4.291 50 0 EIAARN COc1ccc(-c2nc(C(=O)N(C)Cc3ccsc3)cs2)cc1 ZINC000021935821 212264734 /nfs/dbraw/zinc/26/47/34/212264734.db2.gz QAIXRMLFFCDPOJ-UHFFFAOYSA-N 0 0 344.461 4.152 50 0 EIAARN COc1cc(F)c([C@H](C)NC(=O)Nc2c(C)cccc2C)cc1OC ZINC000075612605 216646617 /nfs/dbraw/zinc/64/66/17/216646617.db2.gz HFCJSGBGLCVPBV-ZDUSSCGKSA-N 0 0 346.402 4.342 50 0 EIAARN O=C(Oc1cccc(Br)c1)c1cc(-c2ccccc2)on1 ZINC000021785923 212250862 /nfs/dbraw/zinc/25/08/62/212250862.db2.gz IXSMMMMGHSISCV-UHFFFAOYSA-N 0 0 344.164 4.323 50 0 EIAARN CC(C)OC(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC=C2)c1 ZINC000021797825 212250633 /nfs/dbraw/zinc/25/06/33/212250633.db2.gz NGSVCFSZCBWOQR-UHFFFAOYSA-N 0 0 349.386 4.180 50 0 EIAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1cccc(C)c1 ZINC000021787184 212249805 /nfs/dbraw/zinc/24/98/05/212249805.db2.gz IYMTXBNUNNTYGB-HXUWFJFHSA-N 0 0 347.462 4.467 50 0 EIAARN O=C(CCc1ccccc1F)NCc1cncc(-c2cccs2)c1 ZINC000225665158 241979064 /nfs/dbraw/zinc/97/90/64/241979064.db2.gz VNJRAFKUASDKTG-UHFFFAOYSA-N 0 0 340.423 4.198 50 0 EIAARN Cc1ccc(Oc2ccccc2)c(NC(=O)c2cn(C)c(C)cc2=O)c1 ZINC000225805449 242044762 /nfs/dbraw/zinc/04/47/62/242044762.db2.gz PXPCITICRVYABF-UHFFFAOYSA-N 0 0 348.402 4.047 50 0 EIAARN CC(C)[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ncc[nH]1 ZINC000225837977 242057270 /nfs/dbraw/zinc/05/72/70/242057270.db2.gz IVZGRIQJMIMVFX-GFCCVEGCSA-N 0 0 327.215 4.235 50 0 EIAARN COc1cccc2sc(NC(=O)[C@@H](c3ccncc3)C(C)C)nc21 ZINC000225747996 242017461 /nfs/dbraw/zinc/01/74/61/242017461.db2.gz BNIMJOYGNUCGMT-OAHLLOKOSA-N 0 0 341.436 4.078 50 0 EIAARN O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(F)c(F)c1 ZINC000225754527 242019494 /nfs/dbraw/zinc/01/94/94/242019494.db2.gz KZLFWBJXZLVXHO-UHFFFAOYSA-N 0 0 330.359 4.018 50 0 EIAARN CCn1nc(C)c2nc(C(C)C)nc(Nc3ccc(OC)cc3)c21 ZINC000226688453 242108320 /nfs/dbraw/zinc/10/83/20/242108320.db2.gz QDYKJCPYKHUFFG-UHFFFAOYSA-N 0 0 325.416 4.030 50 0 EIAARN COc1ccc(CNc2ncnc3onc(-c4ccc(C)cc4)c32)cc1 ZINC000021715124 212242056 /nfs/dbraw/zinc/24/20/56/212242056.db2.gz APXWKEFYTLAEBY-UHFFFAOYSA-N 0 0 346.390 4.214 50 0 EIAARN COc1ccc(CNc2ncnc3onc(-c4ccccc4C)c32)cc1 ZINC000021714667 212242127 /nfs/dbraw/zinc/24/21/27/212242127.db2.gz KMQNNOPWMIVKPK-UHFFFAOYSA-N 0 0 346.390 4.214 50 0 EIAARN O=C(NC1CCCC1)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000021707613 212242131 /nfs/dbraw/zinc/24/21/31/212242131.db2.gz KGQKYOJXXAFRMM-UHFFFAOYSA-N 0 0 333.391 4.076 50 0 EIAARN COc1cccc(-c2noc3ncnc(Nc4ccc(C)cc4)c23)c1 ZINC000021714931 212241998 /nfs/dbraw/zinc/24/19/98/212241998.db2.gz LFYCCIIXRWMCAS-UHFFFAOYSA-N 0 0 332.363 4.345 50 0 EIAARN Cc1ccccc1-c1noc2ncnc(NCCc3ccccc3)c12 ZINC000021714705 212242015 /nfs/dbraw/zinc/24/20/15/212242015.db2.gz YLQJBJMVWRVECG-UHFFFAOYSA-N 0 0 330.391 4.248 50 0 EIAARN COc1cccc(Nc2ncnc3onc(-c4ccc(C)cc4)c32)c1 ZINC000021715088 212241791 /nfs/dbraw/zinc/24/17/91/212241791.db2.gz KVKDYNVKTDWRMU-UHFFFAOYSA-N 0 0 332.363 4.345 50 0 EIAARN O=C(Nc1cccnc1)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000021707595 212241857 /nfs/dbraw/zinc/24/18/57/212241857.db2.gz MGCDTQLABHLKBI-UHFFFAOYSA-N 0 0 342.358 4.051 50 0 EIAARN COc1cccc(-c2noc3ncnc(NCc4ccc(C)cc4)c23)c1 ZINC000021714941 212241542 /nfs/dbraw/zinc/24/15/42/212241542.db2.gz SPHHLFOOPHKLNO-UHFFFAOYSA-N 0 0 346.390 4.214 50 0 EIAARN CCC(C)(C)NC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000021707688 212241404 /nfs/dbraw/zinc/24/14/04/212241404.db2.gz XBNMOGDMLBCEGF-UHFFFAOYSA-N 0 0 335.407 4.322 50 0 EIAARN NC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000226327015 242098892 /nfs/dbraw/zinc/09/88/92/242098892.db2.gz SNNUDLIPUXOFNH-UHFFFAOYSA-N 0 0 330.598 4.325 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1c(C)cccc1C ZINC000021587843 212233554 /nfs/dbraw/zinc/23/35/54/212233554.db2.gz HVNOLPXQUHXCKH-IBGZPJMESA-N 0 0 334.419 4.206 50 0 EIAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1c(C)cccc1C ZINC000021587847 212233156 /nfs/dbraw/zinc/23/31/56/212233156.db2.gz HVNOLPXQUHXCKH-LJQANCHMSA-N 0 0 334.419 4.206 50 0 EIAARN CC(C)c1ccc(-n2ccnc(NCc3cccs3)c2=O)cc1 ZINC000021537110 212230793 /nfs/dbraw/zinc/23/07/93/212230793.db2.gz IZSCNBLQGOEPPH-UHFFFAOYSA-N 0 0 325.437 4.030 50 0 EIAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H]1CCCCC1=C1CCCC[C@H]12 ZINC000229930488 242217813 /nfs/dbraw/zinc/21/78/13/242217813.db2.gz DGJJBGKNEXEONI-WTGUMLROSA-N 0 0 335.447 4.483 50 0 EIAARN CC(C)c1cccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000021335742 212221140 /nfs/dbraw/zinc/22/11/40/212221140.db2.gz PJTLQJHGXPARBE-UHFFFAOYSA-N 0 0 349.434 4.008 50 0 EIAARN Cc1cc(Nc2c(C)cccc2C)n2nc(Cc3ccccc3)nc2n1 ZINC000021173855 212214041 /nfs/dbraw/zinc/21/40/41/212214041.db2.gz NWXKEVWWTWQQLW-UHFFFAOYSA-N 0 0 343.434 4.384 50 0 EIAARN COc1ccc(-c2noc(Nc3ccc(OC)c(Cl)c3)n2)cc1 ZINC000021158290 212213348 /nfs/dbraw/zinc/21/33/48/212213348.db2.gz SYBUCYXTBLRAFT-UHFFFAOYSA-N 0 0 331.759 4.151 50 0 EIAARN CCc1cccc(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000021111355 212209103 /nfs/dbraw/zinc/20/91/03/212209103.db2.gz YXARFJHIGDPJAS-UHFFFAOYSA-N 0 0 342.420 4.013 50 0 EIAARN COc1ccc2nc3oc(C(=O)Nc4cccc(F)c4)cc3cc2c1 ZINC000021110168 212208804 /nfs/dbraw/zinc/20/88/04/212208804.db2.gz XUBNZYJGYCANKC-UHFFFAOYSA-N 0 0 336.322 4.381 50 0 EIAARN c1nc2cc(-c3noc(-c4ccncc4)n3)ccc2n1C1CCCC1 ZINC000021116997 212208807 /nfs/dbraw/zinc/20/88/07/212208807.db2.gz UMOIYKRFZQYXFR-UHFFFAOYSA-N 0 0 331.379 4.263 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2c(C)onc2-c2cccc(F)c2)c1 ZINC000021103910 212207212 /nfs/dbraw/zinc/20/72/12/212207212.db2.gz WLMSMGATGHKHSM-UHFFFAOYSA-N 0 0 338.338 4.244 50 0 EIAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(F)c2)cc1 ZINC000021106544 212206993 /nfs/dbraw/zinc/20/69/93/212206993.db2.gz MFGZDLOPUVIPDH-LJQANCHMSA-N 0 0 349.365 4.000 50 0 EIAARN COc1ccccc1NC(=O)C[C@@H](c1ccccc1C)n1cccc1 ZINC000020998821 212198312 /nfs/dbraw/zinc/19/83/12/212198312.db2.gz YBOOFCZPILUCPI-IBGZPJMESA-N 0 0 334.419 4.423 50 0 EIAARN COc1cccc([C@H](CC(=O)NCc2ccc(C)cc2)n2cccc2)c1 ZINC000020998399 212197952 /nfs/dbraw/zinc/19/79/52/212197952.db2.gz XEPQHPWBBVRBPF-NRFANRHFSA-N 0 0 348.446 4.101 50 0 biogenic EIAARN COc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1Cl ZINC000020997404 212195636 /nfs/dbraw/zinc/19/56/36/212195636.db2.gz GKNCFEPJESKOOI-HNNXBMFYSA-N 0 0 344.798 4.361 50 0 EIAARN CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ncccc3o2)cc1 ZINC000020993933 212195384 /nfs/dbraw/zinc/19/53/84/212195384.db2.gz ZFGNIYKNQYMNFO-OAHLLOKOSA-N 0 0 341.436 4.295 50 0 EIAARN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(F)F ZINC000239807494 242964669 /nfs/dbraw/zinc/96/46/69/242964669.db2.gz CSJYRDDFONSVCU-UHFFFAOYSA-N 0 0 338.741 4.104 50 0 EIAARN CN(C)c1ncn(-c2cccc(NCc3csc4ccccc34)c2)n1 ZINC000242047796 243007978 /nfs/dbraw/zinc/00/79/78/243007978.db2.gz VQEZIPDOMIFWJP-UHFFFAOYSA-N 0 0 349.463 4.160 50 0 EIAARN COc1c(C)ccc(NC(=O)N2CCC(c3nccs3)CC2)c1C ZINC000242346899 243020198 /nfs/dbraw/zinc/02/01/98/243020198.db2.gz ZKADBHFVLZRZMB-UHFFFAOYSA-N 0 0 345.468 4.180 50 0 EIAARN Cc1oc(-c2ccccc2F)nc1CSc1nc2cc[nH]cc-2n1 ZINC000020865730 212178374 /nfs/dbraw/zinc/17/83/74/212178374.db2.gz PXXLEXKTOPAJOK-UHFFFAOYSA-N 0 0 340.383 4.353 50 0 EIAARN Fc1cccnc1-c1cccc(-c2ccn(Cc3ccncc3)n2)c1 ZINC000020857042 212177491 /nfs/dbraw/zinc/17/74/91/212177491.db2.gz XPELCQQEXYRRKQ-UHFFFAOYSA-N 0 0 330.366 4.195 50 0 EIAARN CCCn1c2ccc(NC(=O)c3ccccc3C)cc2sc1=O ZINC000020853758 212177275 /nfs/dbraw/zinc/17/72/75/212177275.db2.gz BMFIVGCLDWGTKB-UHFFFAOYSA-N 0 0 326.421 4.034 50 0 EIAARN CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1cc(C)ccn1 ZINC000244748734 243075163 /nfs/dbraw/zinc/07/51/63/243075163.db2.gz ONGVDTVNLPUAQY-OAHLLOKOSA-N 0 0 334.872 4.403 50 0 EIAARN CN1CCN(Cc2cc(C3CCCCC3)no2)C[C@H]1c1ccccc1 ZINC000244874263 243091332 /nfs/dbraw/zinc/09/13/32/243091332.db2.gz WXROCUASTSWSQQ-NRFANRHFSA-N 0 0 339.483 4.211 50 0 EIAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CCC21OCCO1 ZINC000245240767 243102083 /nfs/dbraw/zinc/10/20/83/243102083.db2.gz SLODIKZFXFILEX-SPBYYHCPSA-N 0 0 332.484 4.341 50 0 EIAARN Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000020807928 212174508 /nfs/dbraw/zinc/17/45/08/212174508.db2.gz IIGQKADLPCRSHU-WEVVVXLNSA-N 0 0 329.812 4.305 50 0 EIAARN O=C1CS[C@H](c2ccc(OC3CCCC3)cc2)c2c[nH]nc2N1 ZINC000020734958 212167018 /nfs/dbraw/zinc/16/70/18/212167018.db2.gz YUJVXOQZXOIEDH-MRXNPFEDSA-N 0 0 329.425 4.155 50 0 EIAARN CN(C(=O)COc1ccc(F)cc1Cl)[C@H]1CCCc2ccccc21 ZINC000020675639 212161787 /nfs/dbraw/zinc/16/17/87/212161787.db2.gz WRQHGRSMTAIMRA-KRWDZBQOSA-N 0 0 347.817 4.394 50 0 EIAARN Cc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)nc1-c1cc(C)ccc1C ZINC000020600155 212151592 /nfs/dbraw/zinc/15/15/92/212151592.db2.gz QLQJWSOTDCUVAK-MRXNPFEDSA-N 0 0 337.467 4.260 50 0 EIAARN O=C(Nc1cccc(F)c1)c1cc2c3c(ccc2Cl)OCCn13 ZINC000020559895 212146708 /nfs/dbraw/zinc/14/67/08/212146708.db2.gz VQVQWWFPPPMPSV-UHFFFAOYSA-N 0 0 330.746 4.079 50 0 EIAARN Cc1csc(Cn2ccc(-c3cccc(-c4nccs4)c3)n2)n1 ZINC000020537153 212144705 /nfs/dbraw/zinc/14/47/05/212144705.db2.gz ZNXASVRBGVXIJI-UHFFFAOYSA-N 0 0 338.461 4.487 50 0 EIAARN O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccccc1F ZINC000020494994 212140800 /nfs/dbraw/zinc/14/08/00/212140800.db2.gz VDWXFCFIFVLBEU-DHDCSXOGSA-N 0 0 331.343 4.201 50 0 EIAARN Cc1cc(C)c(-c2csc(NC(=O)C3=CCOCC3)n2)cc1C ZINC000252482496 243770599 /nfs/dbraw/zinc/77/05/99/243770599.db2.gz DHAFYIJYLZWMGG-UHFFFAOYSA-N 0 0 328.437 4.021 50 0 EIAARN CN(C(=O)Cc1noc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000020488520 212138765 /nfs/dbraw/zinc/13/87/65/212138765.db2.gz VEAPYUNGNSAPLK-UHFFFAOYSA-N 0 0 334.297 4.052 50 0 EIAARN Cc1nnc2c(Nc3cccc(C(F)(F)F)c3)nc3ccccc3n12 ZINC000020488589 212138311 /nfs/dbraw/zinc/13/83/11/212138311.db2.gz BIENFURXOCFGEZ-UHFFFAOYSA-N 0 0 343.312 4.348 50 0 EIAARN CCCCC1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000020407102 212125745 /nfs/dbraw/zinc/12/57/45/212125745.db2.gz BPMQKHZPLOLKDP-UHFFFAOYSA-N 0 0 342.527 4.327 50 0 EIAARN Cc1[nH]c2ccc(Cl)cc2c1CCNC(=S)NC1CCCCC1 ZINC000020328969 212119485 /nfs/dbraw/zinc/11/94/85/212119485.db2.gz HQDOLQHTNZREPM-UHFFFAOYSA-N 0 0 349.931 4.469 50 0 EIAARN Clc1ccc2c(c1)C(Cl)=C(CN1CCSCC1)CS2 ZINC000020223817 212113621 /nfs/dbraw/zinc/11/36/21/212113621.db2.gz HQDZSDRNWNKYCE-UHFFFAOYSA-N 0 0 332.321 4.444 50 0 EIAARN Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000020112837 212103470 /nfs/dbraw/zinc/10/34/70/212103470.db2.gz KOOVCNVOZVGTES-UHFFFAOYSA-N 0 0 336.435 4.119 50 0 EIAARN CCOc1ccc([C@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)cc1 ZINC000019927695 212084715 /nfs/dbraw/zinc/08/47/15/212084715.db2.gz RVONJWMWYKKOCM-IAQYHMDHSA-N 0 0 334.466 4.017 50 0 EIAARN CCc1c(C(=O)Nc2cccc(C(C)C)c2)cnn1-c1ccccn1 ZINC000019910856 212082280 /nfs/dbraw/zinc/08/22/80/212082280.db2.gz OYENLEAZIFWJBY-UHFFFAOYSA-N 0 0 334.423 4.205 50 0 EIAARN Cc1ccc2nc(N3CCC(CCn4cccn4)CC3)sc2c1 ZINC000077408350 216897642 /nfs/dbraw/zinc/89/76/42/216897642.db2.gz LPFPUJRIILLHKV-UHFFFAOYSA-N 0 0 326.469 4.108 50 0 EIAARN Cc1cccc([C@H]2CCCN(C(=O)c3c[nH]nc3-c3ccccc3)C2)c1 ZINC000077407484 216897860 /nfs/dbraw/zinc/89/78/60/216897860.db2.gz BCSHRHVTZZUDGR-IBGZPJMESA-N 0 0 345.446 4.405 50 0 EIAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)Cc1ccccc1 ZINC000019898835 212081234 /nfs/dbraw/zinc/08/12/34/212081234.db2.gz IJLPOPRZQUJLSO-UHFFFAOYSA-N 0 0 341.414 4.491 50 0 EIAARN Cc1ccccc1NCc1nnc(SCC(=O)c2cccs2)o1 ZINC000019897473 212080550 /nfs/dbraw/zinc/08/05/50/212080550.db2.gz PAHSTPQZHHJUHI-UHFFFAOYSA-N 0 0 345.449 4.027 50 0 EIAARN Clc1ccc(CN2COc3ccc(Br)cc3C2)cc1 ZINC000019856924 212076326 /nfs/dbraw/zinc/07/63/26/212076326.db2.gz GHGJWVFTDNYODN-UHFFFAOYSA-N 0 0 338.632 4.455 50 0 EIAARN Cc1ccc2nc(C)cc(C(=O)N[C@@H](c3ncccc3C)C3CC3)c2c1 ZINC000077471190 216913331 /nfs/dbraw/zinc/91/33/31/216913331.db2.gz OVGIZJVAANEXON-OAQYLSRUSA-N 0 0 345.446 4.436 50 0 EIAARN CC(C)OCCCN1C(=O)c2ccccc2[C@@H]1SCc1ccco1 ZINC000019798494 212069976 /nfs/dbraw/zinc/06/99/76/212069976.db2.gz FVXVXLIGZGMDDH-IBGZPJMESA-N 0 0 345.464 4.483 50 0 EIAARN CCOCCOc1ccccc1NCCOc1c(C)cccc1C ZINC000019738514 212060845 /nfs/dbraw/zinc/06/08/45/212060845.db2.gz ZGNWPAYBBVUKEM-UHFFFAOYSA-N 0 0 329.440 4.210 50 0 EIAARN COCCOc1cccc(NC[C@H](C)Oc2cc(C)ccc2C)c1 ZINC000019737576 212059411 /nfs/dbraw/zinc/05/94/11/212059411.db2.gz WNEGJYCQETUENW-KRWDZBQOSA-N 0 0 329.440 4.208 50 0 EIAARN Cc1ccc(O[C@H](C)CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000019738231 212059424 /nfs/dbraw/zinc/05/94/24/212059424.db2.gz DYUMWBRPHPTDHV-UTKZUKDTSA-N 0 0 341.451 4.432 50 0 EIAARN Cc1ccc(O[C@@H](C)CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000019738230 212059550 /nfs/dbraw/zinc/05/95/50/212059550.db2.gz DYUMWBRPHPTDHV-UWJYYQICSA-N 0 0 341.451 4.432 50 0 EIAARN CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(N)ccc1C ZINC000019736713 212059024 /nfs/dbraw/zinc/05/90/24/212059024.db2.gz JLTPMIAKJUHDCJ-HIFRSBDPSA-N 0 0 326.440 4.497 50 0 EIAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(N)ccc1F ZINC000019736648 212059068 /nfs/dbraw/zinc/05/90/68/212059068.db2.gz OXOPDRBQDMJXSD-LBPRGKRZSA-N 0 0 330.403 4.111 50 0 EIAARN CCCCCCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 ZINC000019736210 212058330 /nfs/dbraw/zinc/05/83/30/212058330.db2.gz SMMDKAJMQOGJAX-UHFFFAOYSA-N 0 0 342.439 4.489 50 0 EIAARN COc1ccc(CC(=O)Nc2c(C)cc(C)cc2Cl)c(OC)c1 ZINC000019625163 212051357 /nfs/dbraw/zinc/05/13/57/212051357.db2.gz DAJQTIUSQHJKEP-UHFFFAOYSA-N 0 0 333.815 4.155 50 0 EIAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(F)cc2Br)[C@@H]1C ZINC000019434882 212027362 /nfs/dbraw/zinc/02/73/62/212027362.db2.gz XOMHVCZHUORLPF-RULNRJAQSA-N 0 0 328.225 4.143 50 0 EIAARN COc1ccc(C2(CNC(=O)CSC3CCCC3)CCCC2)cc1 ZINC000049521458 214014501 /nfs/dbraw/zinc/01/45/01/214014501.db2.gz SWGPDJHYSGBDNN-UHFFFAOYSA-N 0 0 347.524 4.299 50 0 EIAARN COc1ccc([C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)C(C)C)cc1 ZINC000019310789 212013870 /nfs/dbraw/zinc/01/38/70/212013870.db2.gz SDDJWEPKPFNTFD-UKRRQHHQSA-N 0 0 330.255 4.092 50 0 EIAARN CCn1cncc1Cn1ccc(-c2cccc(-c3cnccc3C)c2)n1 ZINC000019225444 212007516 /nfs/dbraw/zinc/00/75/16/212007516.db2.gz LMZJKTZXHNHWDR-UHFFFAOYSA-N 0 0 343.434 4.185 50 0 EIAARN O=C(Cc1noc2ccccc21)NCCC12CC3CC(CC(C3)C1)C2 ZINC000019203211 212004754 /nfs/dbraw/zinc/00/47/54/212004754.db2.gz SULAMMMOSZBIIG-UHFFFAOYSA-N 0 0 338.451 4.093 50 0 EIAARN O=C(Cc1noc2ccccc12)Nc1ccc(-c2nccs2)cc1 ZINC000019205630 212004328 /nfs/dbraw/zinc/00/43/28/212004328.db2.gz HQFLTPRMYMZHFJ-UHFFFAOYSA-N 0 0 335.388 4.133 50 0 EIAARN Cc1noc(C)c1CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000019169441 212003012 /nfs/dbraw/zinc/00/30/12/212003012.db2.gz GZVWMUWIBZRIAU-UHFFFAOYSA-N 0 0 336.391 4.052 50 0 EIAARN Clc1ccc([C@H](Nc2ccccn2)n2nnc3ccccc32)cc1 ZINC000019143720 212001706 /nfs/dbraw/zinc/00/17/06/212001706.db2.gz VAXJQBCXJCDLAO-GOSISDBHSA-N 0 0 335.798 4.139 50 0 EIAARN Cc1c(C(=O)N2CCN(C)Cc3ccccc32)oc2c1c(C)ccc2C ZINC000078415624 217049793 /nfs/dbraw/zinc/04/97/93/217049793.db2.gz PFCBLBVMQPMFGH-UHFFFAOYSA-N 0 0 348.446 4.450 50 0 EIAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000018175843 211986419 /nfs/dbraw/zinc/98/64/19/211986419.db2.gz VYZKLZFQJKQBLM-KRWDZBQOSA-N 0 0 332.350 4.342 50 0 EIAARN CN(C(=O)C[C@H]1C=CCC1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000078509903 217065395 /nfs/dbraw/zinc/06/53/95/217065395.db2.gz KIKASDIMWZUVLS-XOBRGWDASA-N 0 0 342.389 4.264 50 0 EIAARN C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccc(OC(F)F)cc1 ZINC000078556321 217075919 /nfs/dbraw/zinc/07/59/19/217075919.db2.gz GCAIBUVSDPIQGC-XFNZEKPQSA-N 0 0 328.355 4.437 50 0 EIAARN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000078578950 217079245 /nfs/dbraw/zinc/07/92/45/217079245.db2.gz WSIZHYVUGKWQFF-GFCCVEGCSA-N 0 0 338.234 4.499 50 0 EIAARN CCN(Cc1nc(-c2cccs2)no1)C(=S)Nc1ccccc1 ZINC000078579072 217079768 /nfs/dbraw/zinc/07/97/68/217079768.db2.gz BDMBQFDLFKDOKD-UHFFFAOYSA-N 0 0 344.465 4.017 50 0 EIAARN CCOC(=O)c1ccc(NC(=S)N(C)[C@H](C)c2cccs2)cc1 ZINC000017456039 211968738 /nfs/dbraw/zinc/96/87/38/211968738.db2.gz GWTXMMUPCVEGTE-GFCCVEGCSA-N 0 0 348.493 4.315 50 0 EIAARN Fc1ccc(Cc2noc(OCc3c(F)cccc3Cl)n2)cc1 ZINC000078672254 217098753 /nfs/dbraw/zinc/09/87/53/217098753.db2.gz CDDXNVXBHODZRH-UHFFFAOYSA-N 0 0 336.725 4.171 50 0 EIAARN COC(=O)Nc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1F ZINC000078737194 217112874 /nfs/dbraw/zinc/11/28/74/217112874.db2.gz MVDKIRAVKJQHCA-UHFFFAOYSA-N 0 0 340.713 4.049 50 0 EIAARN CCCc1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cs1 ZINC000017068622 211950542 /nfs/dbraw/zinc/95/05/42/211950542.db2.gz FDRPFOLHDAZBLP-LBPRGKRZSA-N 0 0 333.453 4.209 50 0 EIAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ccc(F)cc3)ccc21 ZINC000016813071 211936256 /nfs/dbraw/zinc/93/62/56/211936256.db2.gz JJHCARRGFYBNAU-GFCCVEGCSA-N 0 0 343.423 4.098 50 0 EIAARN Cc1ccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C2CC2)cc1 ZINC000016649873 211925227 /nfs/dbraw/zinc/92/52/27/211925227.db2.gz LJABWEUJHOARBV-UHFFFAOYSA-N 0 0 343.390 4.170 50 0 EIAARN C[C@H](NC(=O)CSc1ccncc1)c1ccc(-c2cccnc2)cc1 ZINC000078985788 217165593 /nfs/dbraw/zinc/16/55/93/217165593.db2.gz LPVOTKAGIFKDLI-HNNXBMFYSA-N 0 0 349.459 4.113 50 0 EIAARN Cc1ccc(NC(=O)Cc2noc(-c3ccccc3Cl)n2)cc1C ZINC000016578949 211915066 /nfs/dbraw/zinc/91/50/66/211915066.db2.gz KDQLQGGAFYDUSV-UHFFFAOYSA-N 0 0 341.798 4.188 50 0 EIAARN CCCC(=O)Nc1ccc(OCc2ncc(C(C)C)o2)c(C(C)=O)c1 ZINC000079097190 217192121 /nfs/dbraw/zinc/19/21/21/217192121.db2.gz QTPZBLJYEOFMEJ-UHFFFAOYSA-N 0 0 344.411 4.318 50 0 EIAARN Fc1ccc2[nH]cc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)c2c1 ZINC000016386013 211900349 /nfs/dbraw/zinc/90/03/49/211900349.db2.gz QQOUAGPCNUJCIV-UHFFFAOYSA-N 0 0 348.168 4.257 50 0 EIAARN C[C@H](NC(=O)CN(C#N)c1ccccc1)c1ccc2ccccc2c1 ZINC000079055877 217184050 /nfs/dbraw/zinc/18/40/50/217184050.db2.gz HKPBJICDEDFBJW-INIZCTEOSA-N 0 0 329.403 4.005 50 0 EIAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000079308073 217206479 /nfs/dbraw/zinc/20/64/79/217206479.db2.gz UUPOIMFQBCMZPY-KRWDZBQOSA-N 0 0 348.450 4.032 50 0 EIAARN CC(C)(C)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2CO)cc1 ZINC000079111238 217196953 /nfs/dbraw/zinc/19/69/53/217196953.db2.gz XVRTXPNHJNOEKF-LJQANCHMSA-N 0 0 338.451 4.108 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1Br ZINC000016027594 211878124 /nfs/dbraw/zinc/87/81/24/211878124.db2.gz WZBATCJFYKIBGB-UHFFFAOYSA-N 0 0 329.197 4.112 50 0 EIAARN CSc1ncccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000015990573 211874158 /nfs/dbraw/zinc/87/41/58/211874158.db2.gz RBVZXGHCBSSMRH-UHFFFAOYSA-N 0 0 341.263 4.383 50 0 EIAARN O=C(Nc1ccnn1C1CCCCC1)c1ccc(Br)cc1 ZINC000015997549 211875116 /nfs/dbraw/zinc/87/51/16/211875116.db2.gz FPRMTFLDXVJZEN-UHFFFAOYSA-N 0 0 348.244 4.403 50 0 EIAARN COc1ccc2cc3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)oc3nc2c1 ZINC000015895217 211866964 /nfs/dbraw/zinc/86/69/64/211866964.db2.gz XNCMBWIECGLVFO-BETUJISGSA-N 0 0 338.407 4.108 50 0 EIAARN CCCc1nc2ccccc2n1C[C@H](O)COc1ccc(C)c(C)c1 ZINC000015860745 211864097 /nfs/dbraw/zinc/86/40/97/211864097.db2.gz WFSPXXLGNZXKKH-KRWDZBQOSA-N 0 0 338.451 4.046 50 0 EIAARN O=C1CS[C@H](C(F)(F)F)c2cnn(-c3ccc(Cl)cc3)c2N1 ZINC000079489134 217232670 /nfs/dbraw/zinc/23/26/70/217232670.db2.gz RHPPKAXEKHCLNX-NSHDSACASA-N 0 0 347.749 4.464 50 0 EIAARN C[C@H]1CN(C(=O)Cc2cccc3ccccc32)c2ccccc2NC1=O ZINC000015859045 211861293 /nfs/dbraw/zinc/86/12/93/211861293.db2.gz VMESIJAZXGBDSX-HNNXBMFYSA-N 0 0 344.414 4.004 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(CNC(=O)c3ccccc3)o2)cc1C ZINC000015868116 211865518 /nfs/dbraw/zinc/86/55/18/211865518.db2.gz HOIVKHCSTILAIB-UHFFFAOYSA-N 0 0 348.402 4.079 50 0 EIAARN Fc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1 ZINC000015823102 211856761 /nfs/dbraw/zinc/85/67/61/211856761.db2.gz AIIUQYLOAVDHIS-UHFFFAOYSA-N 0 0 349.369 4.403 50 0 EIAARN Cc1cc(C)cc(Nc2c(=O)c(=O)c2-c2ccc3c(c2)CCCC3)c1 ZINC000015728237 211846201 /nfs/dbraw/zinc/84/62/01/211846201.db2.gz ZUWBAAQZHBYHGH-UHFFFAOYSA-N 0 0 331.415 4.189 50 0 EIAARN CSc1ncc(C(=O)NC2CCCCCC2)c(-c2ccccc2)n1 ZINC000015681092 211842603 /nfs/dbraw/zinc/84/26/03/211842603.db2.gz YJIFXDLVAOJWNZ-UHFFFAOYSA-N 0 0 341.480 4.318 50 0 EIAARN COc1ccccc1-c1cc2nc(C)cc(NCc3ccccc3)n2n1 ZINC000015670913 211838726 /nfs/dbraw/zinc/83/87/26/211838726.db2.gz QLZCDNNHMUOWCT-UHFFFAOYSA-N 0 0 344.418 4.325 50 0 EIAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2Br)[C@@H]1C ZINC000019434878 212026651 /nfs/dbraw/zinc/02/66/51/212026651.db2.gz XOMHVCZHUORLPF-GPCCPHFNSA-N 0 0 328.225 4.143 50 0 EIAARN O=C(Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1 ZINC000080053745 217275024 /nfs/dbraw/zinc/27/50/24/217275024.db2.gz TUPRRFYLAQHPMR-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN CC[C@H](CCSc1ccccc1)NC(=O)c1cccc(OC)c1 ZINC000080345891 217299179 /nfs/dbraw/zinc/29/91/79/217299179.db2.gz WVJXHUCBJUUYQQ-MRXNPFEDSA-N 0 0 329.465 4.386 50 0 EIAARN Cc1cc(=O)oc2cc(OCCOc3ccc(Cl)cc3)ccc12 ZINC000015180139 211806726 /nfs/dbraw/zinc/80/67/26/211806726.db2.gz QWGSATCAANJRLK-UHFFFAOYSA-N 0 0 330.767 4.213 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)nc1 ZINC000014683581 211754700 /nfs/dbraw/zinc/75/47/00/211754700.db2.gz SXUMXADHEFCEIV-UHFFFAOYSA-N 0 0 336.366 4.360 50 0 EIAARN Cc1ccnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c1 ZINC000014683613 211753551 /nfs/dbraw/zinc/75/35/51/211753551.db2.gz JLBVTSDGHLKBDG-UHFFFAOYSA-N 0 0 326.440 4.485 50 0 EIAARN Cc1cc(C(=O)N2CC(Oc3c(C)cccc3C)C2)c2ccccc2n1 ZINC000082092341 217462096 /nfs/dbraw/zinc/46/20/96/217462096.db2.gz JQXANPPAIKAQEK-UHFFFAOYSA-N 0 0 346.430 4.063 50 0 EIAARN CC(C)c1nc(CN(C)C(=O)C[C@H]2CCc3ccccc32)cs1 ZINC000082107680 217467977 /nfs/dbraw/zinc/46/79/77/217467977.db2.gz KPQWGAQALWERHP-OAHLLOKOSA-N 0 0 328.481 4.345 50 0 EIAARN Cc1scc(C(=O)N2Cc3ccccc3[C@H](O)C2)c1-c1ccccc1 ZINC000082120594 217470548 /nfs/dbraw/zinc/47/05/48/217470548.db2.gz PLRSGQUKQPVTGL-LJQANCHMSA-N 0 0 349.455 4.413 50 0 EIAARN CC(C)c1cc(C(=O)NCc2cccc(-c3ccccc3)c2)n(C)n1 ZINC000082146929 217477863 /nfs/dbraw/zinc/47/78/63/217477863.db2.gz OZILELWAXPBMAK-UHFFFAOYSA-N 0 0 333.435 4.141 50 0 EIAARN CC[C@H]1CCCCN1C(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000082160461 217481152 /nfs/dbraw/zinc/48/11/52/217481152.db2.gz FGILLRMXJFZEKI-SFHVURJKSA-N 0 0 333.435 4.406 50 0 EIAARN Cc1nc(-c2ccc(CNC(=O)NCc3ccccc3C)o2)cs1 ZINC000014197154 211707669 /nfs/dbraw/zinc/70/76/69/211707669.db2.gz XCJZJRGECGXBNJ-UHFFFAOYSA-N 0 0 341.436 4.019 50 0 EIAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccccc1Cl ZINC000014185733 211704465 /nfs/dbraw/zinc/70/44/65/211704465.db2.gz AGJFZVMLTYENQL-UHFFFAOYSA-N 0 0 346.217 4.491 50 0 EIAARN CC(=O)c1csc(NC(=O)c2sc(-c3cccs3)nc2C)n1 ZINC000014112589 211683843 /nfs/dbraw/zinc/68/38/43/211683843.db2.gz BQMMTHKEPRSMCO-UHFFFAOYSA-N 0 0 349.462 4.091 50 0 EIAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1F ZINC000014093509 211680043 /nfs/dbraw/zinc/68/00/43/211680043.db2.gz LHRHJZSZPOPSLR-UHFFFAOYSA-N 0 0 328.318 4.191 50 0 EIAARN Cc1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)on1 ZINC000084124134 217577308 /nfs/dbraw/zinc/57/73/08/217577308.db2.gz PPMGGFLTJOLTHF-UHFFFAOYSA-N 0 0 334.347 4.170 50 0 EIAARN CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000013770327 211636518 /nfs/dbraw/zinc/63/65/18/211636518.db2.gz MPGFHMWXMINLQJ-IEBWSBKVSA-N 0 0 342.439 4.448 50 0 EIAARN Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4Cl)n3)cc2c1 ZINC000013778039 211635578 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O=C(COc1ccccc1)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000009356221 211072838 /nfs/dbraw/zinc/07/28/38/211072838.db2.gz MIMXCHXEPVKNQE-UHFFFAOYSA-N 0 0 343.386 4.043 50 0 EIAARN CCOc1ccc(Nc2ccc3nnc(-c4ccc(C)cc4)n3n2)cc1 ZINC000009344382 211072061 /nfs/dbraw/zinc/07/20/61/211072061.db2.gz FVNCXGVVTODWOE-UHFFFAOYSA-N 0 0 345.406 4.242 50 0 EIAARN CCc1ccc(N2C[C@H](c3nc(-c4cccc(C)c4)no3)CC2=O)cc1 ZINC000009318697 211067908 /nfs/dbraw/zinc/06/79/08/211067908.db2.gz HCXWILKDQCUPGV-QGZVFWFLSA-N 0 0 347.418 4.128 50 0 EIAARN Cc1nc(C)c(C(=O)Nc2ccc(C)cc2Br)s1 ZINC000009314150 211064525 /nfs/dbraw/zinc/06/45/25/211064525.db2.gz XIIMYUMJCSEGSS-UHFFFAOYSA-N 0 0 325.231 4.083 50 0 EIAARN C=C1C(Nc2c(C)cc(C)cc2C)=NS(=O)(=O)C1c1ccccc1 ZINC000009251869 211057960 /nfs/dbraw/zinc/05/79/60/211057960.db2.gz BAWIVGBTMUNUSI-UHFFFAOYSA-N 0 0 340.448 4.197 50 0 EIAARN CC(=O)N(C)Cc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000009250264 211057576 /nfs/dbraw/zinc/05/75/76/211057576.db2.gz JILBXEQMSFKOHX-UHFFFAOYSA-N 0 0 349.478 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/nfs/dbraw/zinc/86/93/32/218869332.db2.gz OQXOLJHSENHFOV-HNNXBMFYSA-N 0 0 349.434 4.003 50 0 EIAARN O=c1nc2n(c3ccccc13)CC/C2=C\c1c(F)cccc1Cl ZINC000005451319 210467510 /nfs/dbraw/zinc/46/75/10/210467510.db2.gz HWSSBWVVEWRBGS-ZHACJKMWSA-N 0 0 326.758 4.133 50 0 EIAARN CC1CCN(C(=O)c2cccnc2-c2nc3ccccc3s2)CC1 ZINC000005451311 210466547 /nfs/dbraw/zinc/46/65/47/210466547.db2.gz SYOXQSMABPKBML-UHFFFAOYSA-N 0 0 337.448 4.230 50 0 EIAARN COc1ccccc1/C=C/C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005445710 210464877 /nfs/dbraw/zinc/46/48/77/210464877.db2.gz DCLCBHWWWHHKEX-ISMZQPDKSA-N 0 0 339.479 4.430 50 0 EIAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000005439907 210464372 /nfs/dbraw/zinc/46/43/72/210464372.db2.gz QYZDGKLRCKCVDI-UHFFFAOYSA-N 0 0 348.324 4.085 50 0 EIAARN CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl ZINC000005442490 210464102 /nfs/dbraw/zinc/46/41/02/210464102.db2.gz CHNUNORXWHYHNE-UHFFFAOYSA-N 0 0 345.226 4.217 50 0 in-vitro EIAARN COc1ccc(F)cc1COC(=O)c1cc(C)nc2ccccc21 ZINC000005355634 210448012 /nfs/dbraw/zinc/44/80/12/210448012.db2.gz LOGRZTAEYNKGET-UHFFFAOYSA-N 0 0 325.339 4.048 50 0 EIAARN Cc1c2ccccc2oc1C(=O)Nc1ccnn1Cc1ccccc1 ZINC000005256233 210426519 /nfs/dbraw/zinc/42/65/19/210426519.db2.gz WCCUHMXUSIZWCE-UHFFFAOYSA-N 0 0 331.375 4.238 50 0 EIAARN CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1C ZINC000005248697 210422606 /nfs/dbraw/zinc/42/26/06/210422606.db2.gz XJKXNGGTRLUHGD-UHFFFAOYSA-N 0 0 348.446 4.197 50 0 EIAARN CSc1ccc(-c2nnc(NC(=O)c3ccccc3C)o2)cc1 ZINC000005240374 210420960 /nfs/dbraw/zinc/42/09/60/210420960.db2.gz XCWKPYLVAXJMSO-UHFFFAOYSA-N 0 0 325.393 4.019 50 0 EIAARN Cc1cc(C(=O)CSc2nc(C)c(C)n2CC(C)C)c(C)n1C ZINC000005178204 210407959 /nfs/dbraw/zinc/40/79/59/210407959.db2.gz GFQAROJXANVXRE-UHFFFAOYSA-N 0 0 333.501 4.086 50 0 EIAARN CC[C@H](C)NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000005146426 210399741 /nfs/dbraw/zinc/39/97/41/210399741.db2.gz RCNHTCASJQEGMU-NSHDSACASA-N 0 0 347.871 4.173 50 0 EIAARN Cc1cccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1 ZINC000005102809 210389685 /nfs/dbraw/zinc/38/96/85/210389685.db2.gz BWPUFBCMNCTUJY-UHFFFAOYSA-N 0 0 348.240 4.392 50 0 EIAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)o1 ZINC000005092594 210387764 /nfs/dbraw/zinc/38/77/64/210387764.db2.gz HDOHYFBYRAKYJQ-YLJYHZDGSA-N 0 0 331.375 4.225 50 0 EIAARN CCC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(CC)cc1 ZINC000097105875 218956746 /nfs/dbraw/zinc/95/67/46/218956746.db2.gz ZZZMJOOFQYBVTF-FQEVSTJZSA-N 0 0 336.435 4.345 50 0 EIAARN C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000005060354 210379058 /nfs/dbraw/zinc/37/90/58/210379058.db2.gz DAOBRQIMNHBMOL-CQSZACIVSA-N 0 0 337.448 4.046 50 0 EIAARN CC1=C(C(=O)Nc2ccc(C)cc2C)C2(CCC(C)CC2)OC1=O ZINC000005058742 210378375 /nfs/dbraw/zinc/37/83/75/210378375.db2.gz OSYOTRPAKVSPMJ-UHFFFAOYSA-N 0 0 327.424 4.064 50 0 biogenic EIAARN Cc1cc(C)cc(CSCC(=O)NCCSc2ccccc2)c1 ZINC000005051330 210376172 /nfs/dbraw/zinc/37/61/72/210376172.db2.gz QEEQRKOIALFJQT-UHFFFAOYSA-N 0 0 345.533 4.445 50 0 EIAARN CC(=O)Oc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1 ZINC000005065154 210381274 /nfs/dbraw/zinc/38/12/74/210381274.db2.gz QINJJWLVCXNVQU-UHFFFAOYSA-N 0 0 325.393 4.182 50 0 EIAARN CCOc1ccc([C@@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005041951 210373313 /nfs/dbraw/zinc/37/33/13/210373313.db2.gz IXHFLVNNWBUZKB-LFPRZYRFSA-N 0 0 342.483 4.414 50 0 EIAARN COc1ccccc1CNC(=O)Nc1cc(Cl)ccc1Cl ZINC000005042021 210373270 /nfs/dbraw/zinc/37/32/70/210373270.db2.gz KHVIKWWIOZJIHQ-UHFFFAOYSA-N 0 0 325.195 4.324 50 0 EIAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)NC3CCCC3)sc21 ZINC000005022677 210365361 /nfs/dbraw/zinc/36/53/61/210365361.db2.gz RJEAMWMPUBSWCG-UHFFFAOYSA-N 0 0 343.427 4.113 50 0 EIAARN CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)c(C)c1 ZINC000005024995 210364754 /nfs/dbraw/zinc/36/47/54/210364754.db2.gz HPNODKYEXNBQTE-UHFFFAOYSA-N 0 0 334.419 4.006 50 0 EIAARN Cc1c(NC(=O)c2cc3ccccc3n2C)cnn1-c1ccccc1F ZINC000153415840 224101230 /nfs/dbraw/zinc/10/12/30/224101230.db2.gz FIAZKYWBSXKGOZ-UHFFFAOYSA-N 0 0 348.381 4.064 50 0 EIAARN CCC[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000004981426 210348396 /nfs/dbraw/zinc/34/83/96/210348396.db2.gz IQGKXCIZIPCLSZ-INIZCTEOSA-N 0 0 327.815 4.488 50 0 EIAARN CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cc(C)ccc1C ZINC000004980909 210348031 /nfs/dbraw/zinc/34/80/31/210348031.db2.gz XTMNRWGCKJTXFL-UHFFFAOYSA-N 0 0 334.419 4.006 50 0 EIAARN c1[nH]c2ccccc2c1-c1nnc(SCCOc2ccccc2)o1 ZINC000004997050 210354660 /nfs/dbraw/zinc/35/46/60/210354660.db2.gz PLNGVJPJZAVFCC-UHFFFAOYSA-N 0 0 337.404 4.389 50 0 EIAARN CSCC[C@@H]1COC(c2cccn2Cc2c(C)cc(C)cc2C)=N1 ZINC000004970723 210343163 /nfs/dbraw/zinc/34/31/63/210343163.db2.gz MPNVZEVLYLNZOL-QGZVFWFLSA-N 0 0 342.508 4.360 50 0 EIAARN CCCN(CCC)C(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000000030218 208551346 /nfs/dbraw/zinc/55/13/46/208551346.db2.gz JXXJINFOCASLDB-UHFFFAOYSA-N 0 0 337.460 4.145 50 0 EIAARN Cc1cccnc1N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004960722 210340315 /nfs/dbraw/zinc/34/03/15/210340315.db2.gz KEXCDOCNOCJDAJ-HXUWFJFHSA-N 0 0 329.403 4.157 50 0 EIAARN Cc1ccnc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC000004960781 210340541 /nfs/dbraw/zinc/34/05/41/210340541.db2.gz LFKZJBQWUHTKHY-HXUWFJFHSA-N 0 0 329.403 4.157 50 0 EIAARN CC(C)SCCCOc1ccc(I)cc1 ZINC000004949253 210337400 /nfs/dbraw/zinc/33/74/00/210337400.db2.gz JFOWHAXLEJFMSU-UHFFFAOYSA-N 0 0 336.238 4.202 50 0 EIAARN C[C@H](OC(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003529730 208566480 /nfs/dbraw/zinc/56/64/80/208566480.db2.gz SQWBNDFSODLCJT-QMMMGPOBSA-N 0 0 344.219 4.239 50 0 EIAARN O=C(Cn1c(=O)sc2cccc(Cl)c21)Sc1ccccc1 ZINC000000041649 208555781 /nfs/dbraw/zinc/55/57/81/208555781.db2.gz IFROYJQHJADPOH-UHFFFAOYSA-N 0 0 335.837 4.035 50 0 EIAARN COc1ccc(C(C)(C)C)cc1NC(=O)CNc1ccc(F)cc1F ZINC000003486986 208557978 /nfs/dbraw/zinc/55/79/78/208557978.db2.gz WCKRMZIPGVCAPE-UHFFFAOYSA-N 0 0 348.393 4.322 50 0 EIAARN Cc1ccc(Cl)c(OCC(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000003494294 208559848 /nfs/dbraw/zinc/55/98/48/208559848.db2.gz HFDNIONJDVAWRG-OAHLLOKOSA-N 0 0 331.843 4.165 50 0 EIAARN Cc1cccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)c1C ZINC000004918014 210322485 /nfs/dbraw/zinc/32/24/85/210322485.db2.gz JIRSFJQJQKKCFE-FQEVSTJZSA-N 0 0 329.403 4.470 50 0 EIAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2c2cccnc2)c(C)c1 ZINC000004917447 210322553 /nfs/dbraw/zinc/32/25/53/210322553.db2.gz IAVNGLAFPMVDDD-HXUWFJFHSA-N 0 0 329.403 4.470 50 0 EIAARN CCOc1ccccc1N[C@H]1c2ccccc2C(=O)N1c1ccccn1 ZINC000004916061 210322017 /nfs/dbraw/zinc/32/20/17/210322017.db2.gz BQBQLMXTKQVUIE-HXUWFJFHSA-N 0 0 345.402 4.251 50 0 EIAARN O=C1CCCN1c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000007025774 208572349 /nfs/dbraw/zinc/57/23/49/208572349.db2.gz YECHNNXHBCKZQR-UHFFFAOYSA-N 0 0 346.224 4.155 50 0 EIAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1ccccc1C ZINC000004904868 210319283 /nfs/dbraw/zinc/31/92/83/210319283.db2.gz VAYMSCZBBFMUKH-UHFFFAOYSA-N 0 0 341.455 4.453 50 0 EIAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000004902965 210318167 /nfs/dbraw/zinc/31/81/67/210318167.db2.gz AYCUOBHKGYYYNL-INIZCTEOSA-N 0 0 333.435 4.194 50 0 EIAARN CC(C)Nc1cc(F)ccc1NC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000097230091 219000631 /nfs/dbraw/zinc/00/06/31/219000631.db2.gz OSLNSVIWHMGJAY-AWEZNQCLSA-N 0 0 349.431 4.206 50 0 EIAARN CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccccc1 ZINC000004882804 210311456 /nfs/dbraw/zinc/31/14/56/210311456.db2.gz JOJRQLSDRZKJQC-LGMDPLHJSA-N 0 0 338.432 4.192 50 0 EIAARN CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1C ZINC000004884469 210311535 /nfs/dbraw/zinc/31/15/35/210311535.db2.gz ITIMGUDVHUHJFD-UHFFFAOYSA-N 0 0 334.419 4.006 50 0 EIAARN O=C(Nc1ccccc1F)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000004854210 210301425 /nfs/dbraw/zinc/30/14/25/210301425.db2.gz QBLNIPUQGYRLHC-LJQANCHMSA-N 0 0 335.382 4.264 50 0 EIAARN Cc1nc2cc(C(=O)N(Cc3ccncc3)C3CCCCC3)ccc2[nH]1 ZINC000097301238 219010670 /nfs/dbraw/zinc/01/06/70/219010670.db2.gz AFXRLBUAACIVRC-UHFFFAOYSA-N 0 0 348.450 4.241 50 0 EIAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000004850540 210299244 /nfs/dbraw/zinc/29/92/44/210299244.db2.gz VPCBTZQPZJOSOY-UHFFFAOYSA-N 0 0 339.420 4.287 50 0 EIAARN CSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 ZINC000004862829 210305502 /nfs/dbraw/zinc/30/55/02/210305502.db2.gz KEOBDGORDUEDKL-UHFFFAOYSA-N 0 0 331.466 4.121 50 0 EIAARN c1ccc(COc2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1 ZINC000004842636 210296635 /nfs/dbraw/zinc/29/66/35/210296635.db2.gz GLYOWUUVINOYNA-UHFFFAOYSA-N 0 0 329.359 4.378 50 0 EIAARN Cc1ccccc1C(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C ZINC000004838466 210292798 /nfs/dbraw/zinc/29/27/98/210292798.db2.gz RVJNUNKGRZUVON-UHFFFAOYSA-N 0 0 335.407 4.096 50 0 EIAARN CCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000004815033 210284528 /nfs/dbraw/zinc/28/45/28/210284528.db2.gz JKKNLEXRYRIDQC-OALUTQOASA-N 0 0 346.434 4.064 50 0 EIAARN C[C@@H](CNC(=O)/C=C/c1ccccc1)OC12CC3CC(CC(C3)C1)C2 ZINC000004789102 210279389 /nfs/dbraw/zinc/27/93/89/210279389.db2.gz AIIFTUZCMSIDSX-QXRLPVFISA-N 0 0 339.479 4.190 50 0 EIAARN Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3F)s2)cc1 ZINC000004784123 210277442 /nfs/dbraw/zinc/27/74/42/210277442.db2.gz WREUANMFFNQUFF-UHFFFAOYSA-N 0 0 326.396 4.434 50 0 EIAARN Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cs1 ZINC000004749811 210270868 /nfs/dbraw/zinc/27/08/68/210270868.db2.gz AXJVOMZQEJUETI-UHFFFAOYSA-N 0 0 331.828 4.207 50 0 EIAARN COc1cc(SC)ccc1NC(=O)N1CCC[C@H]1c1cccn1C ZINC000192681044 533103830 /nfs/dbraw/zinc/10/38/30/533103830.db2.gz YYBYFWLUZANWCE-INIZCTEOSA-N 0 0 345.468 4.125 50 0 EIAARN CC(C)Oc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)c(F)c1 ZINC000117637688 221079548 /nfs/dbraw/zinc/07/95/48/221079548.db2.gz HNGRFNHBGOGKNZ-UHFFFAOYSA-N 0 0 339.370 4.051 50 0 EIAARN CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](C)Oc1ccccc1)CCC2 ZINC000119220317 221269663 /nfs/dbraw/zinc/26/96/63/221269663.db2.gz BLFVSOJESGSMGB-CJNGLKHVSA-N 0 0 344.480 4.009 50 0 EIAARN Cc1ccccc1OCC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000012877764 257836425 /nfs/dbraw/zinc/83/64/25/257836425.db2.gz FFELXCDNOHSKHP-IBGZPJMESA-N 0 0 329.827 4.295 50 0 EIAARN O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000052659588 257853918 /nfs/dbraw/zinc/85/39/18/257853918.db2.gz QQTOMCCJDITTOP-MRXNPFEDSA-N 0 0 337.448 4.343 50 0 EIAARN Cc1nnc(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)o1 ZINC000178091811 257954277 /nfs/dbraw/zinc/95/42/77/257954277.db2.gz OMRJUWZTBAJYHK-GOSISDBHSA-N 0 0 347.846 4.012 50 0 EIAARN Fc1cccc2[nH]c(C(Cl)=Cc3nccn3CC(F)(F)F)nc21 ZINC000171542055 257955507 /nfs/dbraw/zinc/95/55/07/257955507.db2.gz HZOGLWWVQVTSDY-VURMDHGXSA-N 0 0 344.699 4.198 50 0 EIAARN CCCN(CC1CC1)C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000426428073 257968554 /nfs/dbraw/zinc/96/85/54/257968554.db2.gz PEUGIHVKCANLJV-UHFFFAOYSA-N 0 0 333.435 4.492 50 0 EIAARN CCCc1occc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000281438434 257937237 /nfs/dbraw/zinc/93/72/37/257937237.db2.gz RYFVOYSESMSDSA-QFBILLFUSA-N 0 0 345.414 4.364 50 0 EIAARN CCc1ccsc1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273295316 257941805 /nfs/dbraw/zinc/94/18/05/257941805.db2.gz LWMKZGRFQSLXEV-IAGOWNOFSA-N 0 0 347.455 4.442 50 0 EIAARN COc1ccccc1[C@@H]1C[C@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000328587259 258045839 /nfs/dbraw/zinc/04/58/39/258045839.db2.gz QPVDKGJDSUFTAM-MPTYRVRUSA-N 0 0 342.439 4.268 50 0 EIAARN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H]1/C=C/c1cccs1 ZINC000328587926 258046006 /nfs/dbraw/zinc/04/60/06/258046006.db2.gz KCEYETHBRHSHPF-KIUWMYQTSA-N 0 0 338.432 4.210 50 0 EIAARN Cc1ncc(-c2ccc(NC(=O)c3cccc([C@@H]4CCOC4)c3)cc2)o1 ZINC000408513686 257984473 /nfs/dbraw/zinc/98/44/73/257984473.db2.gz DMWQAADJFFNNMA-GOSISDBHSA-N 0 0 348.402 4.406 50 0 EIAARN CCN(CC1CCC1)C(=O)CCCn1cc(-c2ccc(F)cc2)cn1 ZINC000257173311 257998714 /nfs/dbraw/zinc/99/87/14/257998714.db2.gz JHHWYPGFZBEGRQ-UHFFFAOYSA-N 0 0 343.446 4.118 50 0 EIAARN CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000280642217 258014251 /nfs/dbraw/zinc/01/42/51/258014251.db2.gz BGYQVIDDFYTYBA-ACJLOTCBSA-N 0 0 344.434 4.298 50 0 EIAARN COc1ncccc1NC(=O)c1oc2cc(C)c(Cl)cc2c1C ZINC000334163339 258015822 /nfs/dbraw/zinc/01/58/22/258015822.db2.gz YYXNUUOKBBWKMW-UHFFFAOYSA-N 0 0 330.771 4.359 50 0 EIAARN Cc1c(NC(=O)N(C)CCC[C@@H]2CCCO2)cccc1N1CCCC1 ZINC000299771729 258084041 /nfs/dbraw/zinc/08/40/41/258084041.db2.gz XCPMXAVJRQCHCX-QGZVFWFLSA-N 0 0 345.487 4.018 50 0 EIAARN Cc1nc([C@H](C)NC(=O)Cc2ccccc2C(F)(F)F)c(C)s1 ZINC000299786518 258093805 /nfs/dbraw/zinc/09/38/05/258093805.db2.gz LGZAXCGYBSHOTD-VIFPVBQESA-N 0 0 342.386 4.199 50 0 EIAARN Cc1nc([C@@H](C)N(C)C(=O)c2c(C)oc3c2C(=O)CCC3)c(C)s1 ZINC000299792756 258097903 /nfs/dbraw/zinc/09/79/03/258097903.db2.gz GWYSJSVSQFHCQB-SECBINFHSA-N 0 0 346.452 4.014 50 0 EIAARN COc1cc(OC)cc(C(=O)N(Cc2ccccc2)C(C)(C)C)c1 ZINC000000464760 258048594 /nfs/dbraw/zinc/04/85/94/258048594.db2.gz OWXRFUVLSKMWAA-UHFFFAOYSA-N 0 0 327.424 4.145 50 0 EIAARN CCCCCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000002171916 258049429 /nfs/dbraw/zinc/04/94/29/258049429.db2.gz QBTKJSXLXYLTTK-UHFFFAOYSA-N 0 0 327.380 4.237 50 0 EIAARN Cc1ccc(NC(=O)COc2cccc3cccnc32)cc1Cl ZINC000006127922 258051741 /nfs/dbraw/zinc/05/17/41/258051741.db2.gz OFZGOSLRSRPZTR-UHFFFAOYSA-N 0 0 326.783 4.214 50 0 EIAARN O=C(CCc1cccnc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009368895 258054095 /nfs/dbraw/zinc/05/40/95/258054095.db2.gz JAQBLRIDDDGZEW-IBGZPJMESA-N 0 0 340.423 4.121 50 0 EIAARN Cc1ccccc1OCCN(C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000017116364 258056700 /nfs/dbraw/zinc/05/67/00/258056700.db2.gz DUCVOJTWTDTDSC-GOSISDBHSA-N 0 0 340.467 4.037 50 0 EIAARN C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)N1CCCCCC1 ZINC000021605490 258057350 /nfs/dbraw/zinc/05/73/50/258057350.db2.gz LTBKSKRBVJXNNE-CYBMUJFWSA-N 0 0 347.459 4.099 50 0 EIAARN COc1cccc(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000031817440 258058526 /nfs/dbraw/zinc/05/85/26/258058526.db2.gz HSWKAFZLPONURX-LBPRGKRZSA-N 0 0 329.421 4.017 50 0 EIAARN C[C@@H]1CCCN(C(=O)c2cc(Cc3cccc4ccccc43)no2)C1 ZINC000299758589 258076114 /nfs/dbraw/zinc/07/61/14/258076114.db2.gz 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CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000253498112 534779390 /nfs/dbraw/zinc/77/93/90/534779390.db2.gz MENYRVLDWKVWLK-XXWVXFISSA-N 0 0 334.500 4.322 50 0 EIAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253500722 534780125 /nfs/dbraw/zinc/78/01/25/534780125.db2.gz NCMZQTLCXHGLOK-JNCUIMROSA-N 0 0 330.468 4.450 50 0 EIAARN CC(=O)c1cc(F)c(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c(F)c1 ZINC000253419993 534819533 /nfs/dbraw/zinc/81/95/33/534819533.db2.gz POILVDLYMBQHGV-RYUDHWBXSA-N 0 0 335.375 4.280 50 0 EIAARN CSCc1ccccc1NC(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000184746371 525744719 /nfs/dbraw/zinc/74/47/19/525744719.db2.gz ZAVGSYCWDZQNPL-PBHICJAKSA-N 0 0 336.501 4.122 50 0 EIAARN Cc1ccsc1CNC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000025999179 525857530 /nfs/dbraw/zinc/85/75/30/525857530.db2.gz NYCLRBCLTLNTIZ-UHFFFAOYSA-N 0 0 328.437 4.046 50 0 EIAARN Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1ncccn1 ZINC000000085340 526197347 /nfs/dbraw/zinc/19/73/47/526197347.db2.gz DQNPERVIOXSNSZ-CQSZACIVSA-N 0 0 341.480 4.196 50 0 EIAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)NCc1ccc(C)cc1 ZINC000035536201 526843889 /nfs/dbraw/zinc/84/38/89/526843889.db2.gz GYVOEEJFFWQFQU-UHFFFAOYSA-N 0 0 342.345 4.167 50 0 EIAARN O=C(Cc1coc2cc3c(cc12)CCC3)N(Cc1ccco1)C1CC1 ZINC000029010805 527332275 /nfs/dbraw/zinc/33/22/75/527332275.db2.gz WEVWRIIECGAYOO-UHFFFAOYSA-N 0 0 335.403 4.248 50 0 EIAARN O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)[C@H]1CC=CCC1 ZINC000096119701 527414940 /nfs/dbraw/zinc/41/49/40/527414940.db2.gz IEEWCCVETIYDGT-AWEZNQCLSA-N 0 0 349.390 4.215 50 0 EIAARN CCn1ccc(=O)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 ZINC000135295084 529155168 /nfs/dbraw/zinc/15/51/68/529155168.db2.gz GCCNTCICIBVFKY-UHFFFAOYSA-N 0 0 342.782 4.034 50 0 EIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)Cc1sc(C)nc1C ZINC000215279163 534941707 /nfs/dbraw/zinc/94/17/07/534941707.db2.gz OZUZQWMGFWKFAE-INIZCTEOSA-N 0 0 331.485 4.087 50 0 EIAARN CCCCCC[C@H](C)NC(=O)N1CCN(c2ccccc2C)CC1 ZINC000012545598 535006445 /nfs/dbraw/zinc/00/64/45/535006445.db2.gz UWHHNILHBRNKPY-SFHVURJKSA-N 0 0 331.504 4.186 50 0 EIAARN CCOc1ccccc1NC(=O)N1CCOc2ccc(Cl)cc21 ZINC000006842962 535526715 /nfs/dbraw/zinc/52/67/15/535526715.db2.gz MMNOUEIXOFQMQT-UHFFFAOYSA-N 0 0 332.787 4.170 50 0 EIAARN CO[C@H](CNC(=O)c1ccc(-c2ccsc2)cc1)c1ccco1 ZINC000225653779 536635029 /nfs/dbraw/zinc/63/50/29/536635029.db2.gz RFWZVHLSRVQAOY-QGZVFWFLSA-N 0 0 327.405 4.126 50 0 EIAARN COC1(OC)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000253617148 536697831 /nfs/dbraw/zinc/69/78/31/536697831.db2.gz LLKXAWZFTUNUTQ-MKOCOSAPSA-N 0 0 336.516 4.379 50 0 EIAARN CCCc1cc(=O)[nH]c(SCc2c(Cl)cccc2Cl)n1 ZINC000018099206 563848583 /nfs/dbraw/zinc/84/85/83/563848583.db2.gz MQKQPISCWZNRIU-UHFFFAOYSA-N 0 0 329.252 4.322 50 0 EIAARN O=C1OC(C2CCCCC2)=N/C1=C\c1ccc(Br)cc1 ZINC000000430519 563999393 /nfs/dbraw/zinc/99/93/93/563999393.db2.gz NWDMHFORMZVMOX-UVTDQMKNSA-N 0 0 334.213 4.326 50 0 EIAARN Cc1cc(Br)ccc1-n1c(=O)c2ccccc2[nH]c1=S ZINC000000098698 564012254 /nfs/dbraw/zinc/01/22/54/564012254.db2.gz MJEGTCDTXCYDSE-UHFFFAOYSA-N 0 0 347.237 4.119 50 0 EIAARN C[C@@H](SCc1ccc(F)cc1Br)C(=O)NC(C)(C)C ZINC000048406628 564031715 /nfs/dbraw/zinc/03/17/15/564031715.db2.gz JIWWDSCBEKQSSS-SECBINFHSA-N 0 0 348.281 4.125 50 0 EIAARN Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(N)=O)c1C ZINC000006254895 564083252 /nfs/dbraw/zinc/08/32/52/564083252.db2.gz OKQGUVBGMMHSOX-UHFFFAOYSA-N 0 0 343.235 4.023 50 0 EIAARN O=C(CCC(=O)c1cccs1)Nc1ccc(Br)cc1 ZINC000006402692 564085572 /nfs/dbraw/zinc/08/55/72/564085572.db2.gz RYQYKBYMMDNGMT-UHFFFAOYSA-N 0 0 338.226 4.112 50 0 EIAARN Cc1c(Cl)ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1Cl ZINC000041095279 564173130 /nfs/dbraw/zinc/17/31/30/564173130.db2.gz UITJMFZGQSNVTB-BXKDBHETSA-N 0 0 336.284 4.159 50 0 EIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(Br)cc2)c1 ZINC000000453281 563322036 /nfs/dbraw/zinc/32/20/36/563322036.db2.gz LFIMWMJFAACQII-UHFFFAOYSA-N 0 0 347.208 4.106 50 0 EIAARN Cc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000000582038 563351429 /nfs/dbraw/zinc/35/14/29/563351429.db2.gz XSBTYPGDCAJFFO-UHFFFAOYSA-N 0 0 344.263 4.268 50 0 EIAARN O=C(Nc1ccc2ccccc2n1)c1ccccc1Br ZINC000000042158 563212893 /nfs/dbraw/zinc/21/28/93/563212893.db2.gz KGTIOTDVIMOMGV-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN CCc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000000037912 563212185 /nfs/dbraw/zinc/21/21/85/563212185.db2.gz CQNUZRHSIXJGLD-UHFFFAOYSA-N 0 0 348.240 4.337 50 0 EIAARN COc1cc(C(=O)Oc2cc(C)ccc2C(C)C)cc(OC)c1OC ZINC000000038460 563212275 /nfs/dbraw/zinc/21/22/75/563212275.db2.gz NEFINPNMAWNQLW-UHFFFAOYSA-N 0 0 344.407 4.363 50 0 EIAARN Cc1ccc(OCC(=O)Oc2ccc(Br)cc2C)cc1 ZINC000000038528 563212279 /nfs/dbraw/zinc/21/22/79/563212279.db2.gz YGELOXHZLOYQQC-UHFFFAOYSA-N 0 0 335.197 4.050 50 0 EIAARN O=C(Nc1ccc2ccccc2n1)c1ccc(Br)cc1 ZINC000000042157 563212914 /nfs/dbraw/zinc/21/29/14/563212914.db2.gz NHJAYYQDPKSQFN-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN COc1cccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)c1 ZINC000000070599 563215108 /nfs/dbraw/zinc/21/51/08/563215108.db2.gz VOMFYQSCXIFXHN-UHFFFAOYSA-N 0 0 345.358 4.151 50 0 EIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(F)cc2)c(C)c1 ZINC000000074330 563216533 /nfs/dbraw/zinc/21/65/33/563216533.db2.gz KLOVPEDBTRFGHE-UHFFFAOYSA-N 0 0 333.370 4.315 50 0 EIAARN Cc1ccc(C(=O)COc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 ZINC000000077473 563217264 /nfs/dbraw/zinc/21/72/64/563217264.db2.gz AMFLNVUCOYBFGB-UHFFFAOYSA-N 0 0 348.398 4.160 50 0 biogenic EIAARN CC1=NN(C(=O)c2ccccc2Cl)[C@](O)(c2ccc(Cl)cc2)C1 ZINC000000077562 563217582 /nfs/dbraw/zinc/21/75/82/563217582.db2.gz UKTLLYCWSFLLTQ-QGZVFWFLSA-N 0 0 349.217 4.061 50 0 EIAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000000088684 563221511 /nfs/dbraw/zinc/22/15/11/563221511.db2.gz PYYPCJBOQYQSKW-SFHVURJKSA-N 0 0 328.799 4.046 50 0 EIAARN CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(C)cc1 ZINC000000090684 563222106 /nfs/dbraw/zinc/22/21/06/563222106.db2.gz OFUYOJLOCGSLQF-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN COC(=O)c1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000093557 563223143 /nfs/dbraw/zinc/22/31/43/563223143.db2.gz SLOUFJRQBSIGCL-UHFFFAOYSA-N 0 0 339.420 4.100 50 0 EIAARN O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(F)cc1 ZINC000000095862 563224314 /nfs/dbraw/zinc/22/43/14/563224314.db2.gz PLYJFDUOKSRODE-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN CC[C@@H](C)Nc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000000106270 563227900 /nfs/dbraw/zinc/22/79/00/563227900.db2.gz RMSDKVXUYOFYGE-SNVBAGLBSA-N 0 0 342.468 4.301 50 0 EIAARN CC(C)NC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000000106705 563227936 /nfs/dbraw/zinc/22/79/36/563227936.db2.gz FMXUBGIGKNNOFH-INIZCTEOSA-N 0 0 334.872 4.467 50 0 EIAARN Cc1ccc2c(CC(=O)OCc3nnc(-c4ccccc4)o3)coc2c1 ZINC000006082477 563229923 /nfs/dbraw/zinc/22/99/23/563229923.db2.gz LLDCEYGBIQRHDF-UHFFFAOYSA-N 0 0 348.358 4.077 50 0 EIAARN Cc1cc(C)cc(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)c1 ZINC000000121783 563234783 /nfs/dbraw/zinc/23/47/83/563234783.db2.gz LYGAYMOOKNIQMY-UHFFFAOYSA-N 0 0 340.810 4.048 50 0 EIAARN O=S(=O)(c1ccc2ccccc2c1)N1CC=C(c2ccccc2)CC1 ZINC000000129876 563238076 /nfs/dbraw/zinc/23/80/76/563238076.db2.gz YAAHSXLMTCZDEI-UHFFFAOYSA-N 0 0 349.455 4.318 50 0 EIAARN Cc1cc(C)cc(NC(=O)COc2ccccc2Br)c1 ZINC000000141185 563242215 /nfs/dbraw/zinc/24/22/15/563242215.db2.gz ANIMLSYEVJVMRN-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Cc1ccc(OC(=O)COc2cccc(Br)c2)cc1C ZINC000000148527 563245172 /nfs/dbraw/zinc/24/51/72/563245172.db2.gz DNOVFXLTCPZBPI-UHFFFAOYSA-N 0 0 335.197 4.050 50 0 EIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C)cn1 ZINC000000183864 563255190 /nfs/dbraw/zinc/25/51/90/563255190.db2.gz KOESYZMZZLNARK-UHFFFAOYSA-N 0 0 327.771 4.259 50 0 EIAARN CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000000186228 563255446 /nfs/dbraw/zinc/25/54/46/563255446.db2.gz NVJDCTFFEITRAB-UHFFFAOYSA-N 0 0 328.437 4.228 50 0 EIAARN CCOC(=O)c1c2c(sc1NC(=O)CC)C[C@H](C(C)(C)C)CC2 ZINC000000191644 563256957 /nfs/dbraw/zinc/25/69/57/563256957.db2.gz IOZUMAJBMICSCI-LLVKDONJSA-N 0 0 337.485 4.424 50 0 EIAARN OCCn1c2ccccc2nc1SCc1cccc2ccccc21 ZINC000000195288 563257700 /nfs/dbraw/zinc/25/77/00/563257700.db2.gz DFLOGPUNCDEFCX-UHFFFAOYSA-N 0 0 334.444 4.474 50 0 EIAARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000000197486 563258423 /nfs/dbraw/zinc/25/84/23/563258423.db2.gz JGZDOJJVNAOSHB-SDNWHVSQSA-N 0 0 337.419 4.423 50 0 biogenic EIAARN CSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000000201147 563258725 /nfs/dbraw/zinc/25/87/25/563258725.db2.gz GSPZNVBLUCJDOM-UHFFFAOYSA-N 0 0 345.445 4.205 50 0 EIAARN NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N ZINC000000206129 563259782 /nfs/dbraw/zinc/25/97/82/563259782.db2.gz KENRRTMYURCKOP-UHFFFAOYSA-N 0 0 345.427 4.311 50 0 EIAARN COC(=O)c1ccc(Oc2nc(C)cc(Oc3ccccc3)n2)cc1 ZINC000000211607 563260831 /nfs/dbraw/zinc/26/08/31/563260831.db2.gz TZANIXUHRCNKAU-UHFFFAOYSA-N 0 0 336.347 4.156 50 0 EIAARN O=S(=O)(Nc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000000235816 563264166 /nfs/dbraw/zinc/26/41/66/563264166.db2.gz HSKHEMGXJUDSBK-UHFFFAOYSA-N 0 0 327.380 4.294 50 0 EIAARN Cc1cc2ncn(C[C@H](O)COc3ccc4ccccc4c3)c2cc1C ZINC000000243059 563265367 /nfs/dbraw/zinc/26/53/67/563265367.db2.gz QZNPTKOZMFTIME-IBGZPJMESA-N 0 0 346.430 4.246 50 0 EIAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCCC4)cc1 ZINC000000246465 563266110 /nfs/dbraw/zinc/26/61/10/563266110.db2.gz YIURYXHWOANFKY-UHFFFAOYSA-N 0 0 328.462 4.297 50 0 EIAARN CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000000250163 563266813 /nfs/dbraw/zinc/26/68/13/563266813.db2.gz RZJSRBWZZRNCTP-CQSZACIVSA-N 0 0 325.408 4.057 50 0 EIAARN COc1cccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000000250059 563266832 /nfs/dbraw/zinc/26/68/32/563266832.db2.gz RJGRZEFNIAMZRB-UHFFFAOYSA-N 0 0 333.391 4.325 50 0 EIAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccncc1 ZINC000000267577 563269311 /nfs/dbraw/zinc/26/93/11/563269311.db2.gz ZOJBCCCEFJXDFD-UHFFFAOYSA-N 0 0 336.778 4.218 50 0 EIAARN CC(C)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000000271804 563270049 /nfs/dbraw/zinc/27/00/49/563270049.db2.gz AVXFDACQSAZBAP-UHFFFAOYSA-N 0 0 332.241 4.500 50 0 EIAARN O=C(NC[C@H]1CCCO1)c1sc2cc(Cl)ccc2c1Cl ZINC000000297944 563274873 /nfs/dbraw/zinc/27/48/73/563274873.db2.gz HFCSBQVBMRLYQE-SECBINFHSA-N 0 0 330.236 4.117 50 0 EIAARN COc1ccc(-c2c(C)oc3c(C)c(OC(C)=O)ccc3c2=O)cc1 ZINC000000310526 563280629 /nfs/dbraw/zinc/28/06/29/563280629.db2.gz JXTRJSOQESQEJC-UHFFFAOYSA-N 0 0 338.359 4.011 50 0 EIAARN Cc1cc(C(C)(C)C)ccc1OCCn1cnc2ccccc2c1=O ZINC000000311851 563281318 /nfs/dbraw/zinc/28/13/18/563281318.db2.gz SLJIOOYGPQYNQL-UHFFFAOYSA-N 0 0 336.435 4.081 50 0 EIAARN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1 ZINC000000355334 563290855 /nfs/dbraw/zinc/29/08/55/563290855.db2.gz NHSJKBWBXNSWLY-IUODEOHRSA-N 0 0 338.289 4.323 50 0 EIAARN CCN(C(=O)COc1ccc(C)cc1Br)c1ccccc1 ZINC000000358955 563291869 /nfs/dbraw/zinc/29/18/69/563291869.db2.gz NBTYPWZIQCANLE-UHFFFAOYSA-N 0 0 348.240 4.189 50 0 EIAARN COc1ccc(C(=O)Oc2ccc(Cl)cc2Br)cc1 ZINC000000359034 563292256 /nfs/dbraw/zinc/29/22/56/563292256.db2.gz KWVHXZMZKSVZNE-UHFFFAOYSA-N 0 0 341.588 4.330 50 0 EIAARN O=C(Nc1ccc(NC(=O)c2cccc(F)c2)cc1)c1cccs1 ZINC000000359405 563292607 /nfs/dbraw/zinc/29/26/07/563292607.db2.gz FJTZWZCQHOHLEP-UHFFFAOYSA-N 0 0 340.379 4.392 50 0 EIAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1O ZINC000000364409 563295388 /nfs/dbraw/zinc/29/53/88/563295388.db2.gz ZYTIXPTZSAQEBZ-UHFFFAOYSA-N 0 0 326.179 4.025 50 0 EIAARN O=C(/C=C/c1cccs1)Nc1ccc(Br)cc1F ZINC000000375481 563298742 /nfs/dbraw/zinc/29/87/42/563298742.db2.gz JVKZKJHGFSUDBQ-GQCTYLIASA-N 0 0 326.190 4.302 50 0 EIAARN O=c1c(SCc2ccccc2)cc(Cl)nn1-c1ccccc1 ZINC000000385739 563302586 /nfs/dbraw/zinc/30/25/86/563302586.db2.gz KJAUSFHPNUZGJC-UHFFFAOYSA-N 0 0 328.824 4.178 50 0 EIAARN Cc1c(C)c(=O)oc2c(C)c(O[C@@H](C)C(=O)c3ccccc3)ccc12 ZINC000000389361 563303763 /nfs/dbraw/zinc/30/37/63/563303763.db2.gz LWLWMKZVJACQPO-HNNXBMFYSA-N 0 0 336.387 4.368 50 0 biogenic EIAARN O=Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000000411764 563308410 /nfs/dbraw/zinc/30/84/10/563308410.db2.gz JTBOXNJTXICJKY-UHFFFAOYSA-N 0 0 331.371 4.184 50 0 EIAARN O=C(Nc1cccnc1Cl)c1cc(-c2ccc(Cl)cc2)on1 ZINC000000423610 563309430 /nfs/dbraw/zinc/30/94/30/563309430.db2.gz IDKCRNYMFZKQDG-UHFFFAOYSA-N 0 0 334.162 4.296 50 0 EIAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000000423728 563309447 /nfs/dbraw/zinc/30/94/47/563309447.db2.gz KZCJHCSOSNWZJP-UHFFFAOYSA-N 0 0 346.745 4.395 50 0 EIAARN Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000000427673 563310790 /nfs/dbraw/zinc/31/07/90/563310790.db2.gz XOVSCQKRPUJKGX-CYBMUJFWSA-N 0 0 345.826 4.454 50 0 EIAARN O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000433385 563311446 /nfs/dbraw/zinc/31/14/46/563311446.db2.gz POXFYLKDULPRTF-UHFFFAOYSA-N 0 0 333.416 4.473 50 0 EIAARN CCC[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 ZINC000000433865 563311964 /nfs/dbraw/zinc/31/19/64/563311964.db2.gz KUYYOXODJIMUIN-JTQLQIEISA-N 0 0 348.493 4.066 50 0 aggregator EIAARN O=C(CSCc1ccccc1Br)Nc1ccccc1 ZINC000000443742 563315696 /nfs/dbraw/zinc/31/56/96/563315696.db2.gz CSGOOKYCKHWZMV-UHFFFAOYSA-N 0 0 336.254 4.321 50 0 EIAARN COc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000000444131 563316014 /nfs/dbraw/zinc/31/60/14/563316014.db2.gz VBRDNLPGDBWCEN-UHFFFAOYSA-N 0 0 331.169 4.175 50 0 EIAARN O=C(Nc1c(-c2ccccc2)nc2ncccn21)c1ccc(Cl)cc1 ZINC000000444939 563316646 /nfs/dbraw/zinc/31/66/46/563316646.db2.gz XZNYDFZVRMSHDY-UHFFFAOYSA-N 0 0 348.793 4.302 50 0 EIAARN Cc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Cl)cc3)ccc12 ZINC000000449501 563318618 /nfs/dbraw/zinc/31/86/18/563318618.db2.gz KWURIDZBQSPUPK-UHFFFAOYSA-N 0 0 342.778 4.325 50 0 EIAARN Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1 ZINC000000449473 563318630 /nfs/dbraw/zinc/31/86/30/563318630.db2.gz UBGADOICRCRSNE-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCc1ccc(C)o1 ZINC000000450443 563319332 /nfs/dbraw/zinc/31/93/32/563319332.db2.gz HWXPCPIHLHGTDN-UHFFFAOYSA-N 0 0 335.425 4.014 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc(Cl)c1 ZINC000000450829 563319785 /nfs/dbraw/zinc/31/97/85/563319785.db2.gz YFFREXSENPOJPN-UHFFFAOYSA-N 0 0 339.247 4.049 50 0 EIAARN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000000451394 563320306 /nfs/dbraw/zinc/32/03/06/563320306.db2.gz GSFWZWWFEPUGLQ-UHFFFAOYSA-N 0 0 331.249 4.182 50 0 EIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)cc1Cl ZINC000000452395 563321411 /nfs/dbraw/zinc/32/14/11/563321411.db2.gz KOBHQSPHTPFPTQ-LLVKDONJSA-N 0 0 336.284 4.255 50 0 EIAARN Cc1ccc(C(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000000453335 563322013 /nfs/dbraw/zinc/32/20/13/563322013.db2.gz RLWJMMXNMVXKDJ-UHFFFAOYSA-N 0 0 348.398 4.160 50 0 EIAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000000453666 563322246 /nfs/dbraw/zinc/32/22/46/563322246.db2.gz WNOFGXFTRGLOHF-UHFFFAOYSA-N 0 0 348.855 4.254 50 0 EIAARN Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 ZINC000000456512 563324258 /nfs/dbraw/zinc/32/42/58/563324258.db2.gz ZSZIBYDDWNHAGH-UHFFFAOYSA-N 0 0 342.464 4.125 50 0 EIAARN CCCc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)c(Cl)cc12 ZINC000000459047 563325481 /nfs/dbraw/zinc/32/54/81/563325481.db2.gz FOOVIFOCGRNSQU-UHFFFAOYSA-N 0 0 336.815 4.393 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1F ZINC000000459775 563325982 /nfs/dbraw/zinc/32/59/82/563325982.db2.gz URBJXJHHKAFKNQ-UHFFFAOYSA-N 0 0 342.595 4.423 50 0 EIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000000463706 563327875 /nfs/dbraw/zinc/32/78/75/563327875.db2.gz GVJCIGJAHLKRNO-UHFFFAOYSA-N 0 0 325.195 4.185 50 0 EIAARN O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1O ZINC000000467212 563329031 /nfs/dbraw/zinc/32/90/31/563329031.db2.gz OMUJYDCSXZOFCK-UHFFFAOYSA-N 0 0 328.220 4.430 50 0 EIAARN Fc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000000467532 563329039 /nfs/dbraw/zinc/32/90/39/563329039.db2.gz PVRZFBMAWIKHON-UHFFFAOYSA-N 0 0 328.456 4.477 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000000470344 563330837 /nfs/dbraw/zinc/33/08/37/563330837.db2.gz SJVVFVXQIDHEHH-GFCCVEGCSA-N 0 0 330.815 4.121 50 0 EIAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Br)cc1 ZINC000000470943 563331399 /nfs/dbraw/zinc/33/13/99/563331399.db2.gz XDXOOKATNDGUSI-RISCZKNCSA-N 0 0 342.302 4.236 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccccc1 ZINC000000471130 563331473 /nfs/dbraw/zinc/33/14/73/563331473.db2.gz LHARHZCZERPTRQ-CYBMUJFWSA-N 0 0 327.453 4.024 50 0 EIAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000476734 563334784 /nfs/dbraw/zinc/33/47/84/563334784.db2.gz JCFUIHOFEZVWSM-UHFFFAOYSA-N 0 0 333.343 4.460 50 0 EIAARN Cc1ccc(O)c([C@@H](CC(=O)NCc2ccco2)c2ccccc2)c1 ZINC000000477283 563335093 /nfs/dbraw/zinc/33/50/93/563335093.db2.gz BLGBSCFPHWVUTD-SFHVURJKSA-N 0 0 335.403 4.132 50 0 EIAARN CCNc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000000482400 563337103 /nfs/dbraw/zinc/33/71/03/563337103.db2.gz DLPFPHPKWQBUQP-UHFFFAOYSA-N 0 0 333.387 4.311 50 0 EIAARN CC[C@@H](Oc1ccccc1)C(=O)N1c2ccc(F)cc2CC[C@H]1C ZINC000000483679 563337745 /nfs/dbraw/zinc/33/77/45/563337745.db2.gz HMUCRJRZWGLFED-AUUYWEPGSA-N 0 0 327.399 4.351 50 0 EIAARN CSc1ccccc1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000000612175 563355359 /nfs/dbraw/zinc/35/53/59/563355359.db2.gz TWOIGBPNBNSURY-UHFFFAOYSA-N 0 0 348.427 4.161 50 0 EIAARN COc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1OC ZINC000000612674 563355735 /nfs/dbraw/zinc/35/57/35/563355735.db2.gz KRCCNFAXBDBJHH-UHFFFAOYSA-N 0 0 327.409 4.274 50 0 EIAARN O=Cc1ccc(OCc2cccc(C(=O)Oc3ccccc3)c2)cc1 ZINC000000613855 563356650 /nfs/dbraw/zinc/35/66/50/563356650.db2.gz KWETVCYFEGANGA-UHFFFAOYSA-N 0 0 332.355 4.297 50 0 EIAARN Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)n(-c2ccccc2)n1 ZINC000000614613 563357339 /nfs/dbraw/zinc/35/73/39/563357339.db2.gz ANJOIWRLBINDGZ-UHFFFAOYSA-N 0 0 344.374 4.088 50 0 EIAARN CCCc1nnc(NC(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000000615669 563358080 /nfs/dbraw/zinc/35/80/80/563358080.db2.gz KNKSUNXFBKSLSS-UHFFFAOYSA-N 0 0 335.816 4.451 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)c1C ZINC000000619148 563360645 /nfs/dbraw/zinc/36/06/45/563360645.db2.gz FLDRWRPKWDYQPW-UHFFFAOYSA-N 0 0 339.844 4.075 50 0 EIAARN CNc1nc(-c2cccc(Br)c2)nnc1-c1ccccc1 ZINC000000978201 563367094 /nfs/dbraw/zinc/36/70/94/563367094.db2.gz VUOBBKZVVSKILE-UHFFFAOYSA-N 0 0 341.212 4.010 50 0 EIAARN O=C(Nc1ccccc1)n1nccc1-c1cc(-c2ccccc2)no1 ZINC000001031752 563369399 /nfs/dbraw/zinc/36/93/99/563369399.db2.gz HPSQKWKVUUNJRG-UHFFFAOYSA-N 0 0 330.347 4.285 50 0 EIAARN COc1ccc([C@H](C)NC(=O)c2oc3ccccc3c2C)cc1OC ZINC000001055849 563371120 /nfs/dbraw/zinc/37/11/20/563371120.db2.gz QYLVZKYJKCXRDU-ZDUSSCGKSA-N 0 0 339.391 4.249 50 0 EIAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21Nc2ccccc2CO1 ZINC000001063119 563372140 /nfs/dbraw/zinc/37/21/40/563372140.db2.gz OXBAXDSHHKIODY-QFIPXVFZSA-N 0 0 346.430 4.332 50 0 EIAARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21Nc2ccccc2CO1 ZINC000001063586 563372179 /nfs/dbraw/zinc/37/21/79/563372179.db2.gz PIACQVUHEZGCDQ-FPTDNZKUSA-N 0 0 348.446 4.423 50 0 EIAARN CC(C)(C)n1cnnc1SCc1nnc(-c2cccc(Cl)c2)o1 ZINC000071882593 563373922 /nfs/dbraw/zinc/37/39/22/563373922.db2.gz BQOKFBGGJZKRTI-UHFFFAOYSA-N 0 0 349.847 4.029 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1C ZINC000071882918 563377349 /nfs/dbraw/zinc/37/73/49/563377349.db2.gz ZAKVQZRJHVDFES-NSHDSACASA-N 0 0 347.484 4.079 50 0 EIAARN COCc1ccccc1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000071882902 563377433 /nfs/dbraw/zinc/37/74/33/563377433.db2.gz VOMQRHKCDLAQKC-LBPRGKRZSA-N 0 0 332.469 4.078 50 0 EIAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1C ZINC000001219050 563379892 /nfs/dbraw/zinc/37/98/92/563379892.db2.gz PVXNXBHYLJUXKY-UHFFFAOYSA-N 0 0 334.375 4.401 50 0 EIAARN Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000071884577 563384981 /nfs/dbraw/zinc/38/49/81/563384981.db2.gz PWIAJYBPEDUJFE-HZPDHXFCSA-N 0 0 331.847 4.476 50 0 EIAARN COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)cc1Cl ZINC000001392293 563386054 /nfs/dbraw/zinc/38/60/54/563386054.db2.gz 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COc1ccccc1CNC(=O)c1ccccc1Oc1ccccc1 ZINC000005460280 563533207 /nfs/dbraw/zinc/53/32/07/563533207.db2.gz OVGACPKUUQQBHM-UHFFFAOYSA-N 0 0 333.387 4.418 50 0 EIAARN COc1cc(Cl)ccc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000005610720 563542985 /nfs/dbraw/zinc/54/29/85/563542985.db2.gz ULYURZAOHTXNLD-UHFFFAOYSA-N 0 0 348.807 4.270 50 0 EIAARN CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(OC)c2)C1 ZINC000006119488 563559271 /nfs/dbraw/zinc/55/92/71/563559271.db2.gz BIUSQWHQAXSDMA-LLVKDONJSA-N 0 0 330.453 4.106 50 0 EIAARN O=C(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1 ZINC000006321922 563564940 /nfs/dbraw/zinc/56/49/40/563564940.db2.gz BOEYUWAFGNXXJH-UHFFFAOYSA-N 0 0 328.568 4.494 50 0 EIAARN C[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000010573096 563569215 /nfs/dbraw/zinc/56/92/15/563569215.db2.gz OFGGPPSJVUVTSR-NKWVEPMBSA-N 0 0 343.271 4.229 50 0 EIAARN Cc1cccnc1[C@@H](NC(=O)c1ccc(-c2cnco2)cc1)C(C)C ZINC000071908525 563569239 /nfs/dbraw/zinc/56/92/39/563569239.db2.gz QPSQIKPCEBJCMI-SFHVURJKSA-N 0 0 335.407 4.172 50 0 EIAARN Cc1ccc(C)c(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)c1 ZINC000002405581 563569562 /nfs/dbraw/zinc/56/95/62/563569562.db2.gz OQRXKRMMWLSSLK-MRXNPFEDSA-N 0 0 326.421 4.250 50 0 EIAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccs1 ZINC000010577852 563571121 /nfs/dbraw/zinc/57/11/21/563571121.db2.gz YFUZEUSSJZAZDS-UHFFFAOYSA-N 0 0 329.450 4.210 50 0 EIAARN CC[C@@H](C)c1csc(N(C)C(=O)c2cccc(-n3cccn3)c2)n1 ZINC000071909653 563575232 /nfs/dbraw/zinc/57/52/32/563575232.db2.gz WVGFNCSOXBLQNI-CYBMUJFWSA-N 0 0 340.452 4.119 50 0 EIAARN COc1ccc(-c2ccnc3c(-c4ccccc4)c(C)nn32)cc1OC ZINC000006661539 563576642 /nfs/dbraw/zinc/57/66/42/563576642.db2.gz OLAZJBJOQRVCND-UHFFFAOYSA-N 0 0 345.402 4.389 50 0 EIAARN Cc1ccc(-c2noc(CNC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000006697600 563578603 /nfs/dbraw/zinc/57/86/03/563578603.db2.gz QBZHYPDQDJCLQV-UHFFFAOYSA-N 0 0 342.786 4.020 50 0 EIAARN Cc1cccc(-c2noc(CN(C(=O)c3ccccc3)C(C)C)n2)c1 ZINC000006700851 563579703 /nfs/dbraw/zinc/57/97/03/563579703.db2.gz CIHCGLXBPISXML-UHFFFAOYSA-N 0 0 335.407 4.096 50 0 EIAARN Cc1cccc(-c2noc(CN(C(=O)Cc3ccccc3)C(C)C)n2)c1 ZINC000006700859 563579765 /nfs/dbraw/zinc/57/97/65/563579765.db2.gz BVHPTGVBLKTCOR-UHFFFAOYSA-N 0 0 349.434 4.025 50 0 EIAARN CN(C)C(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000006702198 563580517 /nfs/dbraw/zinc/58/05/17/563580517.db2.gz VEAZUSZHBPXWPU-UHFFFAOYSA-N 0 0 344.414 4.308 50 0 EIAARN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1 ZINC000006743351 563584660 /nfs/dbraw/zinc/58/46/60/563584660.db2.gz COHNPUCUOODDOO-OAHLLOKOSA-N 0 0 331.799 4.150 50 0 EIAARN Cc1ccc(C)c(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)c1 ZINC000006767422 563586084 /nfs/dbraw/zinc/58/60/84/563586084.db2.gz GIXUTTQGVXDIJX-UHFFFAOYSA-N 0 0 342.801 4.368 50 0 EIAARN Cc1ccc(-c2noc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000006811176 563587213 /nfs/dbraw/zinc/58/72/13/563587213.db2.gz ZPIWNFBPLVUNJK-UHFFFAOYSA-N 0 0 349.434 4.273 50 0 EIAARN Cc1ccc(C)c(NC(=O)COCc2cc(-c3cccs3)on2)c1 ZINC000006876593 563590082 /nfs/dbraw/zinc/59/00/82/563590082.db2.gz IVERBTRBHRMZGN-UHFFFAOYSA-N 0 0 342.420 4.175 50 0 EIAARN Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C ZINC000006931942 563591997 /nfs/dbraw/zinc/59/19/97/563591997.db2.gz TXEVEUGAPIDMQD-UHFFFAOYSA-N 0 0 342.870 4.228 50 0 EIAARN Cc1ccc(Cl)c(OCC2N=NC(=S)N2c2ccccc2)c1 ZINC000002561894 563592344 /nfs/dbraw/zinc/59/23/44/563592344.db2.gz CQJSXRLMHWDEDR-UHFFFAOYSA-N 0 0 331.828 4.097 50 0 EIAARN CC(C)Sc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000007382415 563600851 /nfs/dbraw/zinc/60/08/51/563600851.db2.gz XKJODVNRJNPKEK-UHFFFAOYSA-N 0 0 340.492 4.150 50 0 EIAARN CCOc1ccccc1-c1cc(C(=O)n2cccn2)c2ccccc2n1 ZINC000002761292 563610221 /nfs/dbraw/zinc/61/02/21/563610221.db2.gz IBAHXZYWMHSBSR-UHFFFAOYSA-N 0 0 343.386 4.186 50 0 EIAARN Cc1cc(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1Cl ZINC000002764733 563610927 /nfs/dbraw/zinc/61/09/27/563610927.db2.gz JSGSLXHBQPXTQO-ZIAGYGMSSA-N 0 0 329.827 4.394 50 0 EIAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2ccccc2c1 ZINC000007721228 563611951 /nfs/dbraw/zinc/61/19/51/563611951.db2.gz NMIJRKBWXSJTPW-UHFFFAOYSA-N 0 0 343.386 4.162 50 0 EIAARN Cc1cnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 ZINC000007800823 563615220 /nfs/dbraw/zinc/61/52/20/563615220.db2.gz BNSIHWPDNJNSLJ-MRVPVSSYSA-N 0 0 331.224 4.164 50 0 EIAARN Cc1sc(NC(=O)Cc2ccccc2F)nc1-c1ccccc1 ZINC000007800084 563615246 /nfs/dbraw/zinc/61/52/46/563615246.db2.gz RMFSBANEJJXFLL-UHFFFAOYSA-N 0 0 326.396 4.439 50 0 EIAARN Cc1nnc(CCC[S@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000097379549 563615958 /nfs/dbraw/zinc/61/59/58/563615958.db2.gz UEXQRCMDDIMKMO-JLTPVHFHSA-N 0 0 347.267 4.127 50 0 EIAARN Cc1ncsc1CCSc1nnc(C(C)C)n1Cc1ccco1 ZINC000071915106 563617271 /nfs/dbraw/zinc/61/72/71/563617271.db2.gz JMUFJLZXUIZTOO-UHFFFAOYSA-N 0 0 348.497 4.143 50 0 EIAARN CC[C@@H](Nc1ccc(NC(C)=O)c(OC)c1)c1ccc(F)cc1F ZINC000071915834 563620088 /nfs/dbraw/zinc/62/00/88/563620088.db2.gz KRUWCSNZQFFLHB-MRXNPFEDSA-N 0 0 334.366 4.495 50 0 EIAARN CC[C@H](NC(=O)Nc1ccnn1C1CCCCC1)c1nccs1 ZINC000071915972 563620344 /nfs/dbraw/zinc/62/03/44/563620344.db2.gz XWQOFXKXJYQBMD-ZDUSSCGKSA-N 0 0 333.461 4.118 50 0 EIAARN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000071916299 563621360 /nfs/dbraw/zinc/62/13/60/563621360.db2.gz CZQMGRGMXDKKNN-ZDUSSCGKSA-N 0 0 347.488 4.236 50 0 EIAARN C[C@H](c1cccnc1)N(C(=O)Nc1ccccc1OC(F)F)C1CC1 ZINC000071921450 563626136 /nfs/dbraw/zinc/62/61/36/563626136.db2.gz DMWUJBRYDPGYAQ-GFCCVEGCSA-N 0 0 347.365 4.441 50 0 EIAARN Cc1ccc2[nH]c(SCC(=O)N(c3ccccc3)C(C)C)nc2c1 ZINC000008558675 563632391 /nfs/dbraw/zinc/63/23/91/563632391.db2.gz FAAGFLYOESXLMA-UHFFFAOYSA-N 0 0 339.464 4.405 50 0 EIAARN O=C(c1cccc(OCCOc2ccccc2)c1)N1CCCCCC1 ZINC000008563507 563632629 /nfs/dbraw/zinc/63/26/29/563632629.db2.gz GCGGKWVXWJMCQE-UHFFFAOYSA-N 0 0 339.435 4.161 50 0 EIAARN CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000008614863 563633294 /nfs/dbraw/zinc/63/32/94/563633294.db2.gz FRQMUZJSZHZSGN-KGESJLRISA-N 0 0 344.495 4.084 50 0 EIAARN O=c1[nH]c(Cc2csc3ccc(Cl)cc23)nc2ccccc12 ZINC000008691822 563635751 /nfs/dbraw/zinc/63/57/51/563635751.db2.gz GTKIRYKODMTYFQ-UHFFFAOYSA-N 0 0 326.808 4.382 50 0 EIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([C@H](C)O)c1 ZINC000008714217 563636354 /nfs/dbraw/zinc/63/63/54/563636354.db2.gz VRGAXDURPYISGQ-QWHCGFSZSA-N 0 0 333.815 4.108 50 0 EIAARN COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)c2ccccc12 ZINC000008715001 563636745 /nfs/dbraw/zinc/63/67/45/563636745.db2.gz GFARIRSGCAWQSF-UHFFFAOYSA-N 0 0 341.432 4.266 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1OC[C@H]1CCCO1 ZINC000010156013 563645988 /nfs/dbraw/zinc/64/59/88/563645988.db2.gz AYUUEDYHCMOMAV-MRXNPFEDSA-N 0 0 345.826 4.079 50 0 EIAARN COc1ccc(CNC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000043119328 563649231 /nfs/dbraw/zinc/64/92/31/563649231.db2.gz GUWDSVQZICQFFD-UHFFFAOYSA-N 0 0 338.379 4.332 50 0 EIAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000012790397 563671586 /nfs/dbraw/zinc/67/15/86/563671586.db2.gz CMDCXTLPYVSEBS-UHFFFAOYSA-N 0 0 343.308 4.415 50 0 EIAARN O=C(c1ccco1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000012795534 563672658 /nfs/dbraw/zinc/67/26/58/563672658.db2.gz FADHYILHNIKTKJ-UHFFFAOYSA-N 0 0 338.432 4.462 50 0 EIAARN CCc1cccc2c(C(=O)CN3CCC[C@H]3c3cccn3C)c[nH]c21 ZINC000012795257 563672775 /nfs/dbraw/zinc/67/27/75/563672775.db2.gz VZWUMMUTIDTFQE-IBGZPJMESA-N 0 0 335.451 4.089 50 0 EIAARN Cc1ccccc1Cn1cnc2cc(-c3ccccc3)sc2c1=O ZINC000012796616 563672985 /nfs/dbraw/zinc/67/29/85/563672985.db2.gz HPBVCSQHQWRMPA-UHFFFAOYSA-N 0 0 332.428 4.482 50 0 EIAARN Cc1cc(C)c(NC(=O)CCc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000012924283 563677409 /nfs/dbraw/zinc/67/74/09/563677409.db2.gz ZQULZGRBCBDJSZ-UHFFFAOYSA-N 0 0 345.826 4.299 50 0 EIAARN O=C(Nc1cccc2ncccc21)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000012973168 563679605 /nfs/dbraw/zinc/67/96/05/563679605.db2.gz PGGYACUHMUAOAI-KRWDZBQOSA-N 0 0 348.402 4.045 50 0 EIAARN COc1ccccc1CN(C)C(=O)c1c2c(nc3ccccc31)CCC2 ZINC000012972795 563679650 /nfs/dbraw/zinc/67/96/50/563679650.db2.gz ZPNSQKGYECVFNI-UHFFFAOYSA-N 0 0 346.430 4.004 50 0 EIAARN C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000012979270 563680849 /nfs/dbraw/zinc/68/08/49/563680849.db2.gz GHGRDEVHEWVBOP-OAHLLOKOSA-N 0 0 331.419 4.241 50 0 EIAARN O=C(NCCc1cccc2cccnc21)c1ccc2c(c1)CCCC2 ZINC000012977422 563680977 /nfs/dbraw/zinc/68/09/77/563680977.db2.gz HULANMVHHNDSAD-UHFFFAOYSA-N 0 0 330.431 4.086 50 0 EIAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccccc1Cl ZINC000012989972 563682631 /nfs/dbraw/zinc/68/26/31/563682631.db2.gz FALZLZMCTDAQIM-UHFFFAOYSA-N 0 0 344.798 4.167 50 0 EIAARN CC(C)c1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000013000389 563684560 /nfs/dbraw/zinc/68/45/60/563684560.db2.gz DZGPPBPVDSKMSH-UHFFFAOYSA-N 0 0 336.435 4.089 50 0 EIAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000013002289 563684764 /nfs/dbraw/zinc/68/47/64/563684764.db2.gz YHFUGEVLSHDMHX-UHFFFAOYSA-N 0 0 340.814 4.190 50 0 EIAARN COc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1 ZINC000013075283 563687172 /nfs/dbraw/zinc/68/71/72/563687172.db2.gz WYHVIYUDSZPQBD-JLHYYAGUSA-N 0 0 338.794 4.003 50 0 EIAARN Fc1ccccc1CSc1nc2cc(Br)cnc2[nH]1 ZINC000013111205 563688140 /nfs/dbraw/zinc/68/81/40/563688140.db2.gz ILOLPXFRSGURQA-UHFFFAOYSA-N 0 0 338.205 4.152 50 0 aggregator EIAARN Cc1cc2n(n1)[C@@H](c1ccc3c(c1)OCO3)Nc1c(C)cc(C)cc1-2 ZINC000013123873 563689116 /nfs/dbraw/zinc/68/91/16/563689116.db2.gz XSGCILQLXJLOOK-FQEVSTJZSA-N 0 0 333.391 4.176 50 0 EIAARN COc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccco3)C2)c1 ZINC000013128638 563689898 /nfs/dbraw/zinc/68/98/98/563689898.db2.gz KPECWVAFTGRHHL-IBGZPJMESA-N 0 0 346.386 4.280 50 0 EIAARN CCOc1ccc([C@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000013131553 563690237 /nfs/dbraw/zinc/69/02/37/563690237.db2.gz ABPWFENKLHEUGN-MOPGFXCFSA-N 0 0 334.423 4.132 50 0 EIAARN CCOc1ccc([C@@H]2C[C@H](c3cccc(C)c3)n3ncnc3N2)cc1 ZINC000013132342 563690542 /nfs/dbraw/zinc/69/05/42/563690542.db2.gz OKCWYSCYQJCNJK-RBUKOAKNSA-N 0 0 334.423 4.132 50 0 EIAARN COc1cc(OC)c(NC(=O)c2ccc(Cl)s2)cc1Cl ZINC000013326340 563695380 /nfs/dbraw/zinc/69/53/80/563695380.db2.gz UEDROWWVXOBXLM-UHFFFAOYSA-N 0 0 332.208 4.324 50 0 EIAARN CC(C)(C)c1nnc2sc(-c3cc(Cl)ccc3Cl)nn21 ZINC000013494631 563699611 /nfs/dbraw/zinc/69/96/11/563699611.db2.gz YQFGJWZUIYAJQU-UHFFFAOYSA-N 0 0 327.240 4.457 50 0 EIAARN CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1 ZINC000013750780 563720746 /nfs/dbraw/zinc/72/07/46/563720746.db2.gz DENSVQVHRLGIBZ-UHFFFAOYSA-N 0 0 340.467 4.237 50 0 EIAARN Cc1ccc(CN(C)C(=O)c2cc(Br)ccc2O)c(C)c1 ZINC000032739343 563720966 /nfs/dbraw/zinc/72/09/66/563720966.db2.gz DBMRZFYPXMDNTO-UHFFFAOYSA-N 0 0 348.240 4.044 50 0 EIAARN COc1ccc(NC(=O)c2ccc(-c3cccc(C)c3)nc2)cc1OC ZINC000065030030 563725625 /nfs/dbraw/zinc/72/56/25/563725625.db2.gz HBUSJFLWCBXFRB-UHFFFAOYSA-N 0 0 348.402 4.327 50 0 EIAARN Cc1cc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)sc1C ZINC000032753509 563727197 /nfs/dbraw/zinc/72/71/97/563727197.db2.gz QMHVBACXCAFTQK-UHFFFAOYSA-N 0 0 349.406 4.382 50 0 EIAARN COc1ccc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)[nH]c2c1 ZINC000032759069 563727939 /nfs/dbraw/zinc/72/79/39/563727939.db2.gz IHCZRCHLWQGCEF-UHFFFAOYSA-N 0 0 330.771 4.091 50 0 EIAARN O=C(CCC1CCCC1)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000032777693 563729256 /nfs/dbraw/zinc/72/92/56/563729256.db2.gz VWOZNYKJJUODIP-UHFFFAOYSA-N 0 0 334.423 4.329 50 0 EIAARN Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(CSC(F)F)o1 ZINC000032772384 563731312 /nfs/dbraw/zinc/73/13/12/563731312.db2.gz CYJKNDLMDOYTRW-UHFFFAOYSA-N 0 0 343.399 4.019 50 0 EIAARN COc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1OC(C)C ZINC000032781406 563733571 /nfs/dbraw/zinc/73/35/71/563733571.db2.gz WZYXYIURBSVBRI-ZDUSSCGKSA-N 0 0 345.464 4.303 50 0 EIAARN COc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000014017826 563735994 /nfs/dbraw/zinc/73/59/94/563735994.db2.gz YJLYRSGHJBKVEZ-UHFFFAOYSA-N 0 0 330.434 4.061 50 0 EIAARN Cc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1 ZINC000014076217 563738040 /nfs/dbraw/zinc/73/80/40/563738040.db2.gz KORCWKOIWLMNIW-UHFFFAOYSA-N 0 0 342.345 4.500 50 0 EIAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000014077806 563738073 /nfs/dbraw/zinc/73/80/73/563738073.db2.gz BQTSQOFYEIYTMJ-OAHLLOKOSA-N 0 0 342.398 4.294 50 0 EIAARN CCCCCNC(=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032802757 563738759 /nfs/dbraw/zinc/73/87/59/563738759.db2.gz VHGPSNBEYGIXGZ-LJQANCHMSA-N 0 0 336.439 4.142 50 0 EIAARN Cc1cc(C)cc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)c1 ZINC000014094285 563739535 /nfs/dbraw/zinc/73/95/35/563739535.db2.gz RYHIFJZUEVNTDQ-CYBMUJFWSA-N 0 0 334.366 4.344 50 0 EIAARN CCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(CCCC)C1 ZINC000014095511 563740397 /nfs/dbraw/zinc/74/03/97/563740397.db2.gz OTAONVLBELIDEH-INIZCTEOSA-N 0 0 327.472 4.343 50 0 EIAARN CN(C)[C@@H](CNc1ncnc2ccsc21)c1ccccc1Cl ZINC000014123772 563743222 /nfs/dbraw/zinc/74/32/22/563743222.db2.gz FBLVADMIRHDNKC-AWEZNQCLSA-N 0 0 332.860 4.060 50 0 EIAARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000014134527 563743638 /nfs/dbraw/zinc/74/36/38/563743638.db2.gz BFTPNYODMLLLQA-QWRGUYRKSA-N 0 0 346.477 4.014 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000014136817 563744039 /nfs/dbraw/zinc/74/40/39/563744039.db2.gz YECXVHJUJPBCLJ-UHFFFAOYSA-N 0 0 343.839 4.348 50 0 EIAARN CCOc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1 ZINC000014159811 563745658 /nfs/dbraw/zinc/74/56/58/563745658.db2.gz VZJBTUMZBBRETN-UHFFFAOYSA-N 0 0 342.420 4.105 50 0 EIAARN FC(F)(F)c1cnc(Sc2nnc3n2CCCCC3)c(Cl)c1 ZINC000014164012 563745849 /nfs/dbraw/zinc/74/58/49/563745849.db2.gz SIWCOBGSVZYWRY-UHFFFAOYSA-N 0 0 348.781 4.223 50 0 EIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@H](C)c3ccccc3)c12 ZINC000014179678 563747155 /nfs/dbraw/zinc/74/71/55/563747155.db2.gz DPPYDQXUYYIGJC-GFCCVEGCSA-N 0 0 347.374 4.282 50 0 EIAARN CC(C)Nc1nn(CN(C)Cc2ccc(Cl)s2)c(=S)s1 ZINC000014184019 563747852 /nfs/dbraw/zinc/74/78/52/563747852.db2.gz SJLJGUVJUYLGLG-UHFFFAOYSA-N 0 0 348.950 4.299 50 0 EIAARN Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cnn1-c1ccccn1 ZINC000032815664 563748953 /nfs/dbraw/zinc/74/89/53/563748953.db2.gz UMASTBRMKHWCDV-UHFFFAOYSA-N 0 0 347.205 4.135 50 0 EIAARN COc1ccccc1NC(=O)Cc1ccc(-c2csc(C)n2)cc1 ZINC000032815645 563748959 /nfs/dbraw/zinc/74/89/59/563748959.db2.gz GPYREABNYQDGGH-UHFFFAOYSA-N 0 0 338.432 4.308 50 0 EIAARN Cc1nn(CN(C)Cc2ccc(C(C)(C)C)cc2)c(=S)n1C1CC1 ZINC000014198049 563749704 /nfs/dbraw/zinc/74/97/04/563749704.db2.gz CJZXZPABIBBAKH-UHFFFAOYSA-N 0 0 344.528 4.444 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1 ZINC000014198488 563749766 /nfs/dbraw/zinc/74/97/66/563749766.db2.gz JIXHYJZHOVOTSA-UHFFFAOYSA-N 0 0 340.404 4.463 50 0 EIAARN CN(C(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2s1 ZINC000014200205 563750093 /nfs/dbraw/zinc/75/00/93/563750093.db2.gz LTZLWFDMBRPTPE-UHFFFAOYSA-N 0 0 334.347 4.174 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000014209165 563750766 /nfs/dbraw/zinc/75/07/66/563750766.db2.gz BSFPQCWVDYFCDI-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000032827570 563757300 /nfs/dbraw/zinc/75/73/00/563757300.db2.gz CXXOIEQPIZBKGX-ZDUSSCGKSA-N 0 0 341.842 4.416 50 0 EIAARN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1c(C)cc(C)cc1C ZINC000014396515 563758553 /nfs/dbraw/zinc/75/85/53/563758553.db2.gz WAFWXAODKWRFTR-GOSISDBHSA-N 0 0 327.424 4.417 50 0 EIAARN CC[C@@H](C(=O)Nc1ccc(C(=O)OC(C)C)cc1)c1ccccc1 ZINC000014421734 563759030 /nfs/dbraw/zinc/75/90/30/563759030.db2.gz OBFZHBHHLKTKPT-GOSISDBHSA-N 0 0 325.408 4.384 50 0 EIAARN CC[C@H](NC(=O)Cn1c(C)cc2ccccc21)c1ccc(OC)cc1 ZINC000014701280 563763397 /nfs/dbraw/zinc/76/33/97/563763397.db2.gz VULTVLLROCADHX-IBGZPJMESA-N 0 0 336.435 4.226 50 0 EIAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cccnc2)C1 ZINC000014979758 563769869 /nfs/dbraw/zinc/76/98/69/563769869.db2.gz BTHNGCPSLGVCOF-HXUWFJFHSA-N 0 0 336.479 4.194 50 0 EIAARN Oc1cccc([C@@H]2Nc3ccc(Br)cc3[C@H]3OCC[C@H]32)c1 ZINC000015018103 563773330 /nfs/dbraw/zinc/77/33/30/563773330.db2.gz OWTFKTJCXBCIOV-JQFCIGGWSA-N 0 0 346.224 4.399 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 ZINC000015082878 563777205 /nfs/dbraw/zinc/77/72/05/563777205.db2.gz TZDQBEYMJIVWGB-NSHDSACASA-N 0 0 331.437 4.142 50 0 EIAARN COC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)s1 ZINC000015193834 563779766 /nfs/dbraw/zinc/77/97/66/563779766.db2.gz SQMZTHQECROZNN-UHFFFAOYSA-N 0 0 349.839 4.249 50 0 EIAARN Cc1cccc(/C=C2/NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1 ZINC000015257246 563780706 /nfs/dbraw/zinc/78/07/06/563780706.db2.gz ZFXOAXDDTZBOAM-LDADJPATSA-N 0 0 336.460 4.381 50 0 EIAARN C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1ccc2ccccc2c1 ZINC000015306409 563781876 /nfs/dbraw/zinc/78/18/76/563781876.db2.gz YQZUQXJAGJQTOU-GOSISDBHSA-N 0 0 346.474 4.491 50 0 EIAARN Cc1ccc(C)c(NC(=O)[C@@H](C)SCCOc2ccccc2)c1 ZINC000015491354 563785407 /nfs/dbraw/zinc/78/54/07/563785407.db2.gz GGOWFEZZVROONS-MRXNPFEDSA-N 0 0 329.465 4.443 50 0 EIAARN COc1ccc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000015519723 563786089 /nfs/dbraw/zinc/78/60/89/563786089.db2.gz NPZMWPXCUQNCKY-LSDHHAIUSA-N 0 0 329.465 4.096 50 0 EIAARN Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000015525374 563786159 /nfs/dbraw/zinc/78/61/59/563786159.db2.gz KLOJYXWANZDYOG-SFHVURJKSA-N 0 0 337.419 4.052 50 0 EIAARN Cc1oc(-c2ccccc2)nc1CN(C)Cc1ccc2c(c1)OCO2 ZINC000032901355 563786928 /nfs/dbraw/zinc/78/69/28/563786928.db2.gz VSRVDFXVIQUAAY-UHFFFAOYSA-N 0 0 336.391 4.011 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2nc(C)nc(C)c12 ZINC000032902004 563788809 /nfs/dbraw/zinc/78/88/09/563788809.db2.gz PIDZQOFQIKMTGG-UHFFFAOYSA-N 0 0 329.400 4.316 50 0 EIAARN O=C(Oc1cccc(N2CCCC2=O)c1)c1cccc(C(F)(F)F)c1 ZINC000015637095 563789107 /nfs/dbraw/zinc/78/91/07/563789107.db2.gz GRESLVJBCFBXKL-UHFFFAOYSA-N 0 0 349.308 4.051 50 0 EIAARN CCOc1cccc(C(=O)Nc2ccc(OCC)c3ncccc23)c1 ZINC000015840839 563795751 /nfs/dbraw/zinc/79/57/51/563795751.db2.gz VDVDJZROXBVMRF-UHFFFAOYSA-N 0 0 336.391 4.285 50 0 EIAARN Cc1ccc2oc(SCC(=O)Nc3cccc4ccccc43)nc2n1 ZINC000015867796 563799404 /nfs/dbraw/zinc/79/94/04/563799404.db2.gz JEAMTBGYADWVSJ-UHFFFAOYSA-N 0 0 349.415 4.415 50 0 EIAARN Cc1ccc(C)c(NC(=O)c2cc(-c3c(C)cc(C)cc3O)[nH]n2)c1 ZINC000015952779 563800802 /nfs/dbraw/zinc/80/08/02/563800802.db2.gz AKZSHYOFXCHCPO-UHFFFAOYSA-N 0 0 335.407 4.268 50 0 EIAARN Oc1cc2ccccc2cc1-c1nnc2n1-c1ccccc1SC2 ZINC000015974629 563801331 /nfs/dbraw/zinc/80/13/31/563801331.db2.gz RUKYQWVLZITMAL-UHFFFAOYSA-N 0 0 331.400 4.399 50 0 EIAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC(C)C)o1 ZINC000015975085 563801360 /nfs/dbraw/zinc/80/13/60/563801360.db2.gz OQBCRMMXJXMVLO-GHMZBOCLSA-N 0 0 329.466 4.182 50 0 EIAARN CNC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000016016098 563802251 /nfs/dbraw/zinc/80/22/51/563802251.db2.gz TVRQENUAQPOMBY-UHFFFAOYSA-N 0 0 346.386 4.091 50 0 EIAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(F)cc(F)c1 ZINC000016101178 563803592 /nfs/dbraw/zinc/80/35/92/563803592.db2.gz OBZNOCMZJOEBMQ-UHFFFAOYSA-N 0 0 338.162 4.072 50 0 EIAARN COc1ccccc1C(Br)(C(F)(F)F)C(F)(F)F ZINC000016158596 563804881 /nfs/dbraw/zinc/80/48/81/563804881.db2.gz UZUVKUZDUBHAOK-UHFFFAOYSA-N 0 0 337.057 4.410 50 0 EIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC1CC1 ZINC000016218183 563806021 /nfs/dbraw/zinc/80/60/21/563806021.db2.gz NTSNXIFAEGATTN-UHFFFAOYSA-N 0 0 346.477 4.041 50 0 EIAARN COc1cc(C(=O)NC(C)(C)C)ccc1OCc1ccccc1Cl ZINC000007982349 563808879 /nfs/dbraw/zinc/80/88/79/563808879.db2.gz XWMWXUGXAPGUKO-UHFFFAOYSA-N 0 0 347.842 4.456 50 0 EIAARN CC[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 ZINC000016420656 563810947 /nfs/dbraw/zinc/81/09/47/563810947.db2.gz ONNPPRPYVMAWSU-YJBOKZPZSA-N 0 0 342.508 4.243 50 0 EIAARN O=C(Nc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000016598848 563815412 /nfs/dbraw/zinc/81/54/12/563815412.db2.gz HXRJEKPNIPXMMY-UHFFFAOYSA-N 0 0 330.387 4.441 50 0 EIAARN O=C(Nc1ccc(Br)cn1)c1cc(Cl)cc(Cl)c1 ZINC000016603190 563816434 /nfs/dbraw/zinc/81/64/34/563816434.db2.gz RJQCRSKXIYKQFV-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1 ZINC000016751669 563822626 /nfs/dbraw/zinc/82/26/26/563822626.db2.gz RVSFTLNXJWZHBX-GOSISDBHSA-N 0 0 333.387 4.138 50 0 EIAARN O=C(NCc1ccnc(OC2CCCC2)c1)c1c(F)cccc1Cl ZINC000032923110 563824804 /nfs/dbraw/zinc/82/48/04/563824804.db2.gz NFHUIQCFDUIJGQ-UHFFFAOYSA-N 0 0 348.805 4.126 50 0 EIAARN CC[C@H](c1nnc(NC(=O)c2cccs2)s1)c1ccccc1 ZINC000017057597 563830582 /nfs/dbraw/zinc/83/05/82/563830582.db2.gz CXFSQEUKDVWRAW-LBPRGKRZSA-N 0 0 329.450 4.394 50 0 EIAARN CCCc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000017066763 563831094 /nfs/dbraw/zinc/83/10/94/563831094.db2.gz LGTAEPHTRKQCHR-CYBMUJFWSA-N 0 0 326.396 4.251 50 0 EIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000017167365 563839108 /nfs/dbraw/zinc/83/91/08/563839108.db2.gz QPPYTYFZOIVCLI-ZIAGYGMSSA-N 0 0 332.444 4.152 50 0 EIAARN COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000017167064 563839205 /nfs/dbraw/zinc/83/92/05/563839205.db2.gz OKFZNTLFBUIASJ-YBEGLDIGSA-N 0 0 343.379 4.071 50 0 EIAARN O=C1CS[C@@H](c2cccc(Cl)c2)N1c1ccc(F)cc1F ZINC000017198202 563840230 /nfs/dbraw/zinc/84/02/30/563840230.db2.gz UVLWIHOXQWQKLX-HNNXBMFYSA-N 0 0 325.767 4.397 50 0 EIAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(Cl)c1Cl ZINC000032931275 563842594 /nfs/dbraw/zinc/84/25/94/563842594.db2.gz JUSWHZMTRCQHPV-FZMZJTMJSA-N 0 0 330.255 4.319 50 0 EIAARN Cc1ccc(/C=C/C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 ZINC000000430850 563843427 /nfs/dbraw/zinc/84/34/27/563843427.db2.gz WGTNGWOTJRQATR-NIEGGPFSSA-N 0 0 332.403 4.071 50 0 EIAARN C[C@H](CNc1ncnc2scc(-c3ccccc3)c21)Cn1cccn1 ZINC000032935548 563845255 /nfs/dbraw/zinc/84/52/55/563845255.db2.gz ANVRPVVUOQZRLA-CQSZACIVSA-N 0 0 349.463 4.303 50 0 EIAARN Cc1cccc(-c2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1 ZINC000017970829 563846752 /nfs/dbraw/zinc/84/67/52/563846752.db2.gz IBMKBWWKJRYSHK-UHFFFAOYSA-N 0 0 328.372 4.297 50 0 EIAARN C[C@H]1CCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c2C1 ZINC000018275982 563851899 /nfs/dbraw/zinc/85/18/99/563851899.db2.gz DZMQBDBEHWNHRW-JTQLQIEISA-N 0 0 328.462 4.235 50 0 EIAARN Fc1ccc(Cc2noc(CCCc3c[nH]c4ccccc34)n2)cc1 ZINC000019225991 563855218 /nfs/dbraw/zinc/85/52/18/563855218.db2.gz JUMBUYZKZAPFPP-UHFFFAOYSA-N 0 0 335.382 4.456 50 0 EIAARN COc1ccc(Cc2nc(-c3oc(C)nc3C)cs2)cc1OC ZINC000268741546 563856129 /nfs/dbraw/zinc/85/61/29/563856129.db2.gz QISPAJXWTYXICH-UHFFFAOYSA-N 0 0 330.409 4.023 50 0 EIAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSCc1ccccc1 ZINC000020064356 563857610 /nfs/dbraw/zinc/85/76/10/563857610.db2.gz UIAJJSYFILRZLN-CQSZACIVSA-N 0 0 329.440 4.427 50 0 EIAARN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000072045113 563860681 /nfs/dbraw/zinc/86/06/81/563860681.db2.gz YEYLITBABVPTKD-MPGHIAIKSA-N 0 0 339.483 4.472 50 0 EIAARN CCc1nc2ccc(C(=O)N3CCCc4ccccc43)cc2nc1CC ZINC000022354672 563862547 /nfs/dbraw/zinc/86/25/47/563862547.db2.gz JGKRGHQHRBCGBZ-UHFFFAOYSA-N 0 0 345.446 4.348 50 0 EIAARN CN(Cc1ccc(F)cc1F)C(=O)COc1ccc2ccccc2c1 ZINC000022895612 563865358 /nfs/dbraw/zinc/86/53/58/563865358.db2.gz QROAGPBVUTWVES-UHFFFAOYSA-N 0 0 341.357 4.155 50 0 EIAARN CC(=O)N[C@@H](C(=O)Oc1ccc(-c2ccccc2)cc1Cl)C(C)C ZINC000024042977 563868402 /nfs/dbraw/zinc/86/84/02/563868402.db2.gz XCPNTEOEVIWEQT-GOSISDBHSA-N 0 0 345.826 4.073 50 0 EIAARN CN1c2ccccc2C(=O)N[C@@H]1c1ccccc1OCc1ccccc1 ZINC000024098520 563869329 /nfs/dbraw/zinc/86/93/29/563869329.db2.gz NISUOLAUDSNAAX-NRFANRHFSA-N 0 0 344.414 4.144 50 0 EIAARN Cc1nc(-c2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)cs1 ZINC000024220592 563869796 /nfs/dbraw/zinc/86/97/96/563869796.db2.gz VACMEPXHBKKWAK-NSHDSACASA-N 0 0 327.236 4.251 50 0 EIAARN Cc1c(Cl)cccc1NCC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000024215102 563869873 /nfs/dbraw/zinc/86/98/73/563869873.db2.gz RCWUZTLAPHASGP-LLVKDONJSA-N 0 0 338.785 4.216 50 0 EIAARN Cc1cc(COC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)on1 ZINC000024510029 563872000 /nfs/dbraw/zinc/87/20/00/563872000.db2.gz JMROUBVKOACSMI-UHFFFAOYSA-N 0 0 349.386 4.188 50 0 EIAARN Cc1cc(=O)oc2cc(OCc3ccc(F)c4cccnc34)ccc12 ZINC000024569644 563872531 /nfs/dbraw/zinc/87/25/31/563872531.db2.gz KBSZVMARPINJCY-UHFFFAOYSA-N 0 0 335.334 4.368 50 0 EIAARN CCOc1ccc(CCC(=O)Nc2ccccc2F)cc1OCC ZINC000024613806 563873490 /nfs/dbraw/zinc/87/34/90/563873490.db2.gz SBLCWYGLVKJAOD-UHFFFAOYSA-N 0 0 331.387 4.194 50 0 EIAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nncc3ccccc32)cc1F ZINC000024716068 563874490 /nfs/dbraw/zinc/87/44/90/563874490.db2.gz HHXRCCMCYOTCME-GFCCVEGCSA-N 0 0 341.411 4.197 50 0 EIAARN O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)c1cnccn1 ZINC000024828326 563876013 /nfs/dbraw/zinc/87/60/13/563876013.db2.gz KJRKQBDHYXEFDH-UHFFFAOYSA-N 0 0 343.308 4.415 50 0 EIAARN CC(C)(C)C1CCC(C(=O)Nc2ccc(-n3ccnc3)nc2)CC1 ZINC000024901968 563877340 /nfs/dbraw/zinc/87/73/40/563877340.db2.gz FDVZXQRKSVIWDP-UHFFFAOYSA-N 0 0 326.444 4.058 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 ZINC000024960833 563878240 /nfs/dbraw/zinc/87/82/40/563878240.db2.gz ABGMOBUKXSQZPW-UHFFFAOYSA-N 0 0 341.798 4.381 50 0 EIAARN O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000024964966 563878281 /nfs/dbraw/zinc/87/82/81/563878281.db2.gz DKZIYBXPLCHFBH-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN COc1ccc(C)cc1CCNC(=O)c1occc1-c1ccccc1 ZINC000024988946 563879204 /nfs/dbraw/zinc/87/92/04/563879204.db2.gz QZRGTCLVONGZIL-UHFFFAOYSA-N 0 0 335.403 4.236 50 0 EIAARN Cc1noc(CSc2ccccc2C(=O)NC2CCCCCC2)n1 ZINC000024990128 563879480 /nfs/dbraw/zinc/87/94/80/563879480.db2.gz CZVRCPRTGIKHEE-UHFFFAOYSA-N 0 0 345.468 4.123 50 0 EIAARN O=C(NC1(c2ccccc2)CCC1)c1ccc(F)cc1Br ZINC000025044635 563880318 /nfs/dbraw/zinc/88/03/18/563880318.db2.gz XNLUMIIDCBEEKS-UHFFFAOYSA-N 0 0 348.215 4.397 50 0 EIAARN Cc1ccc(CCC2CCN(C(=O)c3cccc4cn[nH]c43)CC2)cc1 ZINC000025609794 563886455 /nfs/dbraw/zinc/88/64/55/563886455.db2.gz ZULTVGDVBMIQQM-UHFFFAOYSA-N 0 0 347.462 4.356 50 0 EIAARN O=S(=O)(N[C@@H](c1ccccc1)C1CC1)C1=Cc2ccccc2CC1 ZINC000025675619 563887047 /nfs/dbraw/zinc/88/70/47/563887047.db2.gz UAIMQLINPRGWSX-FQEVSTJZSA-N 0 0 339.460 4.044 50 0 EIAARN O[C@@H]1C[C@](O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000025762869 563888055 /nfs/dbraw/zinc/88/80/55/563888055.db2.gz MAOWNDYORGAXCL-OFNKIYASSA-N 0 0 328.411 4.250 50 0 EIAARN Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](C)CCCC(C)C)c(C)c1 ZINC000026181251 563890228 /nfs/dbraw/zinc/89/02/28/563890228.db2.gz TVHHSMRAWGJSDC-QGZVFWFLSA-N 0 0 347.503 4.064 50 0 EIAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)cc1 ZINC000027583802 563897345 /nfs/dbraw/zinc/89/73/45/563897345.db2.gz DDAXKOHVPYIWMP-GOSISDBHSA-N 0 0 346.833 4.046 50 0 EIAARN CCc1ccc(CN(C(=O)c2ccc(OC)cc2)c2ccccn2)cc1 ZINC000027664312 563898505 /nfs/dbraw/zinc/89/85/05/563898505.db2.gz CRQBBPUKIZYQMX-UHFFFAOYSA-N 0 0 346.430 4.500 50 0 biogenic EIAARN O=C(Nc1cc(-c2ccc(Br)cc2)no1)c1cccs1 ZINC000027747308 563899330 /nfs/dbraw/zinc/89/93/30/563899330.db2.gz ZOBRCVQGAKSIDD-UHFFFAOYSA-N 0 0 349.209 4.418 50 0 EIAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccccc3)no2)cc1C ZINC000027794241 563899707 /nfs/dbraw/zinc/89/97/07/563899707.db2.gz QWLSONHRFOJFOK-OAHLLOKOSA-N 0 0 336.391 4.364 50 0 EIAARN Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000027916751 563900243 /nfs/dbraw/zinc/90/02/43/563900243.db2.gz FCYJRWYCRJIMOC-UHFFFAOYSA-N 0 0 336.435 4.182 50 0 EIAARN CCCn1c(=O)[nH]nc1S[C@H](c1ccccc1)c1ccccc1C ZINC000028188113 563901477 /nfs/dbraw/zinc/90/14/77/563901477.db2.gz GZPCWWSGXRTSHM-QGZVFWFLSA-N 0 0 339.464 4.172 50 0 EIAARN COc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 ZINC000028231835 563901922 /nfs/dbraw/zinc/90/19/22/563901922.db2.gz FDFQYIDZYDJDMH-UHFFFAOYSA-N 0 0 327.405 4.192 50 0 EIAARN CC(C)CNC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000028273290 563902025 /nfs/dbraw/zinc/90/20/25/563902025.db2.gz HYMWDPCHYYYEJF-UHFFFAOYSA-N 0 0 339.464 4.012 50 0 EIAARN CCCOc1cc2sc(NC(=O)C(C)C)nc2c2cccnc12 ZINC000028291231 563902172 /nfs/dbraw/zinc/90/21/72/563902172.db2.gz JZQWIDNEPPMNTP-UHFFFAOYSA-N 0 0 329.425 4.228 50 0 EIAARN O=S(=O)(NCc1cccc(Oc2ccccc2)c1)C1CCCCC1 ZINC000072273388 563902509 /nfs/dbraw/zinc/90/25/09/563902509.db2.gz CXJANTZGBVOHEH-UHFFFAOYSA-N 0 0 345.464 4.231 50 0 EIAARN Cc1ccc(OCCC(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000032958364 563903118 /nfs/dbraw/zinc/90/31/18/563903118.db2.gz NGSZGMBLHMFSHM-UHFFFAOYSA-N 0 0 326.421 4.321 50 0 EIAARN COc1ccc(NC(=O)[C@H](C)Nc2ccc3nc(C)sc3c2)cc1 ZINC000028909435 563904452 /nfs/dbraw/zinc/90/44/52/563904452.db2.gz GVUFHWWYNFLXQP-NSHDSACASA-N 0 0 341.436 4.052 50 0 EIAARN CCOCc1ccc(CNC(=O)Cc2cccc3ccccc32)cc1 ZINC000029281963 563905411 /nfs/dbraw/zinc/90/54/11/563905411.db2.gz SWGHYXXWRRIUBL-UHFFFAOYSA-N 0 0 333.431 4.235 50 0 EIAARN CC(C)c1cccc(NC(=O)COC(=O)Cc2ccccc2Cl)c1 ZINC000029365795 563905868 /nfs/dbraw/zinc/90/58/68/563905868.db2.gz RVEVRNKUFUIZLZ-UHFFFAOYSA-N 0 0 345.826 4.188 50 0 EIAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)c2ccccc2)s1 ZINC000029507242 563907096 /nfs/dbraw/zinc/90/70/96/563907096.db2.gz FVRJETFFQSPECB-UHFFFAOYSA-N 0 0 340.423 4.463 50 0 EIAARN CC(=O)Nc1ccc(S[C@@H](C)c2nc(-c3ccco3)no2)cc1 ZINC000029739058 563908415 /nfs/dbraw/zinc/90/84/15/563908415.db2.gz BUMRTOAOIFAKQL-JTQLQIEISA-N 0 0 329.381 4.141 50 0 EIAARN Cc1cc(C)c(OC(=O)Cc2cc(Cl)cc3c2OCOC3)c(C)c1 ZINC000029758500 563908438 /nfs/dbraw/zinc/90/84/38/563908438.db2.gz YKMFQOWMIRSJDI-UHFFFAOYSA-N 0 0 346.810 4.280 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)OCc1cc(-c2ccccc2)no1 ZINC000029867531 563908729 /nfs/dbraw/zinc/90/87/29/563908729.db2.gz SDMPYAZFEAOCQX-UHFFFAOYSA-N 0 0 332.359 4.109 50 0 EIAARN O=C(CCn1cnc2ccccc21)Nc1ccccc1N1CCCCC1 ZINC000030020660 563909320 /nfs/dbraw/zinc/90/93/20/563909320.db2.gz XFNOUZKOWDEMQE-UHFFFAOYSA-N 0 0 348.450 4.055 50 0 EIAARN CN1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000030029040 563909395 /nfs/dbraw/zinc/90/93/95/563909395.db2.gz FPKIEXRTBQQQMG-QGZVFWFLSA-N 0 0 349.261 4.122 50 0 EIAARN CC(=O)c1c[nH]c(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c1 ZINC000030188434 563909582 /nfs/dbraw/zinc/90/95/82/563909582.db2.gz OGACWIMLZXPGIB-UHFFFAOYSA-N 0 0 334.803 4.158 50 0 EIAARN Cc1ccc(-c2csc(NC(=O)c3cccc4cn[nH]c43)n2)cc1 ZINC000030574681 563910045 /nfs/dbraw/zinc/91/00/45/563910045.db2.gz YRANWAIGAIWQNB-UHFFFAOYSA-N 0 0 334.404 4.247 50 0 EIAARN Cc1ccc([C@H]2CCCN2C(=O)[C@H](C)n2cnc3ccccc32)cc1 ZINC000030646744 563910146 /nfs/dbraw/zinc/91/01/46/563910146.db2.gz KPZCOVBRNNGMCO-QFBILLFUSA-N 0 0 333.435 4.269 50 0 EIAARN Cn1ccnc1[C@@H](NCc1ccccc1Cl)c1ccc(F)cc1 ZINC000030644307 563910173 /nfs/dbraw/zinc/91/01/73/563910173.db2.gz ZKJDGWXURFSCAZ-KRWDZBQOSA-N 0 0 329.806 4.092 50 0 EIAARN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1 ZINC000030753941 563910535 /nfs/dbraw/zinc/91/05/35/563910535.db2.gz MSZRBKIKLZYXIO-OAHLLOKOSA-N 0 0 338.234 4.467 50 0 EIAARN Cc1ccc(N[C@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000032579465 563913982 /nfs/dbraw/zinc/91/39/82/563913982.db2.gz SRJVAFATISVCIM-CYBMUJFWSA-N 0 0 344.484 4.333 50 0 EIAARN O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000032627831 563914184 /nfs/dbraw/zinc/91/41/84/563914184.db2.gz OWFWBLLVGKVOQC-UHFFFAOYSA-N 0 0 328.824 4.394 50 0 EIAARN CCc1cc2c(ncnc2N[C@@H](CC)[C@H](O)c2ccccc2F)s1 ZINC000072304143 563914450 /nfs/dbraw/zinc/91/44/50/563914450.db2.gz DPUCJKPCUQBSID-JKSUJKDBSA-N 0 0 345.443 4.317 50 0 EIAARN CC[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cnn(CC)c1 ZINC000072305859 563915380 /nfs/dbraw/zinc/91/53/80/563915380.db2.gz JMFIGWCYKPWGQW-CQSZACIVSA-N 0 0 340.349 4.195 50 0 EIAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000033270513 563915574 /nfs/dbraw/zinc/91/55/74/563915574.db2.gz CIKLWXJMLAVTRJ-MRXNPFEDSA-N 0 0 329.400 4.059 50 0 EIAARN CCOc1ccc(C(=O)Nc2c3nsnc3ccc2C)cc1Cl ZINC000000097734 563916898 /nfs/dbraw/zinc/91/68/98/563916898.db2.gz RBADTROJBNDVET-UHFFFAOYSA-N 0 0 347.827 4.304 50 0 EIAARN O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000000115680 563916989 /nfs/dbraw/zinc/91/69/89/563916989.db2.gz QWULGXCWMWRCLT-UHFFFAOYSA-N 0 0 334.784 4.221 50 0 aggregator EIAARN COc1cc(C=O)cc2c1O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000000238055 563917120 /nfs/dbraw/zinc/91/71/20/563917120.db2.gz SOSWXHDRHCWCDK-OAQYLSRUSA-N 0 0 335.403 4.037 50 0 EIAARN Cc1ccc(C)c(N2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000023281856 563919166 /nfs/dbraw/zinc/91/91/66/563919166.db2.gz QWRPFWKRILNLNA-UHFFFAOYSA-N 0 0 332.850 4.418 50 0 EIAARN CCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C1CCCCC1 ZINC000034796107 563919706 /nfs/dbraw/zinc/91/97/06/563919706.db2.gz INALLQTXRWPGQP-UHFFFAOYSA-N 0 0 327.428 4.167 50 0 EIAARN CC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000034797424 563919711 /nfs/dbraw/zinc/91/97/11/563919711.db2.gz RRHKBUYXWWDYGZ-MDASCCDHSA-N 0 0 331.456 4.305 50 0 EIAARN CC[C@@H](C)c1ccc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 ZINC000032963893 563919869 /nfs/dbraw/zinc/91/98/69/563919869.db2.gz RKTXNFKANLJIKA-RDTXWAMCSA-N 0 0 342.439 4.186 50 0 EIAARN CC[C@@H]1CCCN1C(=O)NCc1ccccc1OCc1ccccc1 ZINC000517713101 563920042 /nfs/dbraw/zinc/92/00/42/563920042.db2.gz LFCOFDLRTNPNTP-LJQANCHMSA-N 0 0 338.451 4.350 50 0 EIAARN C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1ccccn1 ZINC000032973727 563920201 /nfs/dbraw/zinc/92/02/01/563920201.db2.gz YRQFXYDQQMDCKL-INIZCTEOSA-N 0 0 332.403 4.152 50 0 EIAARN Cc1ccc(/C=C/C(=O)Nc2cccc(Oc3ncccn3)c2)s1 ZINC000046292325 563920319 /nfs/dbraw/zinc/92/03/19/563920319.db2.gz JAKRCMHEVONHAM-CMDGGOBGSA-N 0 0 337.404 4.291 50 0 EIAARN [O-][n+]1ccccc1Sc1nnc(Cc2ccccc2)c2ccccc21 ZINC000000003374 563921706 /nfs/dbraw/zinc/92/17/06/563921706.db2.gz FAABMTAUWLVLEM-UHFFFAOYSA-N 0 0 345.427 4.005 50 0 EIAARN CCOC(=O)c1cccc(Oc2ncnc3c4ccccc4oc32)c1 ZINC000033010863 563925024 /nfs/dbraw/zinc/92/50/24/563925024.db2.gz MOTBOMIBEOMQDE-UHFFFAOYSA-N 0 0 334.331 4.345 50 0 EIAARN O=C(c1ccc(C2OCCO2)s1)c1ccc(C(F)(F)F)cc1 ZINC000043210398 563925251 /nfs/dbraw/zinc/92/52/51/563925251.db2.gz KEEWWWVADGCIAA-UHFFFAOYSA-N 0 0 328.311 4.043 50 0 EIAARN CCCCOc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 ZINC000043210428 563925288 /nfs/dbraw/zinc/92/52/88/563925288.db2.gz UKCSOQRGMKYVOP-UHFFFAOYSA-N 0 0 332.421 4.203 50 0 EIAARN O=C(c1ccc(C2OCCO2)s1)c1cccc(Cl)c1Cl ZINC000043210437 563925293 /nfs/dbraw/zinc/92/52/93/563925293.db2.gz NFIKYALXWXXBAB-UHFFFAOYSA-N 0 0 329.204 4.331 50 0 EIAARN CCCCOc1ccc(CNC(=O)NC2CCCCC2)cc1OC ZINC000044822270 563926667 /nfs/dbraw/zinc/92/66/67/563926667.db2.gz MDIPOURTBNSMBF-UHFFFAOYSA-N 0 0 334.460 4.006 50 0 EIAARN O=C(Nc1ccccc1CCc1nc2ccccc2[nH]1)C1CCCC1 ZINC000033019882 563928784 /nfs/dbraw/zinc/92/87/84/563928784.db2.gz YSJXOKXZOPUTPS-UHFFFAOYSA-N 0 0 333.435 4.477 50 0 EIAARN CC(C)OC(=O)O[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000072312930 563929420 /nfs/dbraw/zinc/92/94/20/563929420.db2.gz AEQIXAPTDLKUDO-SNVBAGLBSA-N 0 0 347.396 4.218 50 0 EIAARN Cc1nn(C)c(C)c1-c1ccnc(N[C@@H](C)c2ccc3[nH]ccc3c2)n1 ZINC000048134952 563930015 /nfs/dbraw/zinc/93/00/15/563930015.db2.gz NUNUSKBCFWZLFQ-LBPRGKRZSA-N 0 0 346.438 4.148 50 0 EIAARN Cc1sc2ccccc2c1-c1nc2c[nH]n(Cc3ccncc3)c-2n1 ZINC000048428267 563930376 /nfs/dbraw/zinc/93/03/76/563930376.db2.gz BYYFSROJPAYLPJ-UHFFFAOYSA-N 0 0 345.431 4.393 50 0 EIAARN CCOCCCNC(=O)c1cc(C)nc2c(-c3ccccc3)cccc12 ZINC000033036688 563932462 /nfs/dbraw/zinc/93/24/62/563932462.db2.gz BYRRGHKMOXMKIA-UHFFFAOYSA-N 0 0 348.446 4.367 50 0 EIAARN CN(Cc1nc(-c2ccccc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000055054399 563933479 /nfs/dbraw/zinc/93/34/79/563933479.db2.gz MASCOBICGCUTFQ-UHFFFAOYSA-N 0 0 347.340 4.387 50 0 EIAARN Cc1ccc(CN(C(=O)Nc2cn[nH]c2)[C@H]2CCc3ccccc32)cc1 ZINC000058005829 563936546 /nfs/dbraw/zinc/93/65/46/563936546.db2.gz GAILYJUSDFYBEC-FQEVSTJZSA-N 0 0 346.434 4.440 50 0 EIAARN O=C(Nc1n[nH]cc1-c1cccc(Cl)c1)c1cc(F)cc(F)c1 ZINC000058016368 563936736 /nfs/dbraw/zinc/93/67/36/563936736.db2.gz NSLUCUPHTWAMCL-UHFFFAOYSA-N 0 0 333.725 4.261 50 0 EIAARN CN(C)C(=O)c1cccc(CSc2nc3ccc(Cl)cc3o2)c1 ZINC000058150566 563937851 /nfs/dbraw/zinc/93/78/51/563937851.db2.gz QJJAZLVDJANSBA-UHFFFAOYSA-N 0 0 346.839 4.475 50 0 EIAARN CC[C@@H](C)N(C(=O)CCCc1cccs1)c1ccc(C(N)=O)cc1 ZINC000058157248 563937932 /nfs/dbraw/zinc/93/79/32/563937932.db2.gz WHZAFMQEXQLANH-CQSZACIVSA-N 0 0 344.480 4.001 50 0 EIAARN O=C(N[C@H]1CCOc2ccccc21)c1[nH]c2ccccc2c1Cl ZINC000058159457 563938312 /nfs/dbraw/zinc/93/83/12/563938312.db2.gz VSFPVGRGURIBMS-AWEZNQCLSA-N 0 0 326.783 4.075 50 0 EIAARN O=C(Nc1ccncc1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000058166135 563938597 /nfs/dbraw/zinc/93/85/97/563938597.db2.gz XOGSGPOCFYFMIC-INIZCTEOSA-N 0 0 341.461 4.384 50 0 EIAARN CCCC(=O)Nc1ccc(CNCc2csc(C(C)C)n2)cc1 ZINC000058216818 563940108 /nfs/dbraw/zinc/94/01/08/563940108.db2.gz BBHWABYRGMFMFJ-UHFFFAOYSA-N 0 0 331.485 4.295 50 0 EIAARN CCCCS[C@H](C)C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000058230529 563940465 /nfs/dbraw/zinc/94/04/65/563940465.db2.gz OHWBICNSZXNLBI-CQSZACIVSA-N 0 0 349.500 4.175 50 0 EIAARN CC(C)(C)n1c2ccccc2[nH]c1=NC(=O)c1ccc(F)cc1Cl ZINC000058300327 563942000 /nfs/dbraw/zinc/94/20/00/563942000.db2.gz YOLIZQALFBFVFG-UHFFFAOYSA-N 0 0 345.805 4.258 50 0 EIAARN Cc1cccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000058315486 563942379 /nfs/dbraw/zinc/94/23/79/563942379.db2.gz RYJWKIZCOUXNCC-UHFFFAOYSA-N 0 0 339.370 4.153 50 0 EIAARN Cc1c2ccccc2sc1C(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000058331948 563942777 /nfs/dbraw/zinc/94/27/77/563942777.db2.gz AGIJCNSOLVWMJD-UHFFFAOYSA-N 0 0 348.431 4.102 50 0 EIAARN Cc1nc2ccccc2nc1NCc1cccc(OC[C@@H]2CCCO2)c1 ZINC000058356546 563943405 /nfs/dbraw/zinc/94/34/05/563943405.db2.gz XONJPVMGLGUISW-SFHVURJKSA-N 0 0 349.434 4.108 50 0 EIAARN O=C(c1ccc(-c2cnco2)cc1)N(C[C@@H]1CCOC1)c1ccccc1 ZINC000058383257 563944480 /nfs/dbraw/zinc/94/44/80/563944480.db2.gz UWRAZGUGHLWZHI-INIZCTEOSA-N 0 0 348.402 4.025 50 0 EIAARN CC(C)n1ncc(C(=O)NC[C@H](C)c2ccccc2)c1C(F)(F)F ZINC000058392895 563944662 /nfs/dbraw/zinc/94/46/62/563944662.db2.gz GBFPPPQCSCDZJN-LBPRGKRZSA-N 0 0 339.361 4.016 50 0 EIAARN CCc1c(C(=O)CN2CCC[C@@H]2c2ccsc2)[nH]c(C)c1C(C)=O ZINC000058392668 563944666 /nfs/dbraw/zinc/94/46/66/563944666.db2.gz VNFJDFHRGPVOCF-MRXNPFEDSA-N 0 0 344.480 4.169 50 0 EIAARN Cc1ccc(-c2csc3ncnc(N[C@@H](C)C(C)(C)O)c23)cc1 ZINC000058407151 563945130 /nfs/dbraw/zinc/94/51/30/563945130.db2.gz RWWLKXYPECIENS-LBPRGKRZSA-N 0 0 327.453 4.238 50 0 EIAARN C[C@H](CC[C@H]1CCCO1)NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000058417637 563945538 /nfs/dbraw/zinc/94/55/38/563945538.db2.gz STAQJLYYZSFGBZ-GDBMZVCRSA-N 0 0 336.435 4.399 50 0 EIAARN O=C(CCn1ccc2ccccc21)Nc1nc(-c2ccccc2)ns1 ZINC000058434256 563946381 /nfs/dbraw/zinc/94/63/81/563946381.db2.gz ATJUSZSAZPOVCU-UHFFFAOYSA-N 0 0 348.431 4.189 50 0 EIAARN COc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1OC ZINC000059393907 563948830 /nfs/dbraw/zinc/94/88/30/563948830.db2.gz MPKIWKFYDOXFLQ-UHFFFAOYSA-N 0 0 346.736 4.383 50 0 EIAARN O=C(Nc1ccccc1Sc1nncs1)c1cc(F)ccc1F ZINC000060371763 563949115 /nfs/dbraw/zinc/94/91/15/563949115.db2.gz CKLNLDVDJOUIOI-UHFFFAOYSA-N 0 0 349.387 4.220 50 0 EIAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cccc3ccccc32)c1C ZINC000060180484 563949721 /nfs/dbraw/zinc/94/97/21/563949721.db2.gz OVDHYLZEDWNLLS-UHFFFAOYSA-N 0 0 336.391 4.214 50 0 EIAARN CC(C)(C)[C@@H](NC(=O)Nc1cn[nH]c1)c1cccc(C(F)(F)F)c1 ZINC000060374488 563949757 /nfs/dbraw/zinc/94/97/57/563949757.db2.gz NQNUJHNFLZSXJZ-ZDUSSCGKSA-N 0 0 340.349 4.337 50 0 EIAARN CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000060376137 563949860 /nfs/dbraw/zinc/94/98/60/563949860.db2.gz DPMVEZCHJVTKKC-IAGOWNOFSA-N 0 0 345.874 4.009 50 0 EIAARN Cc1cccc2c1CCN2C(=O)c1cccnc1Nc1cccc(F)c1 ZINC000096402478 563949862 /nfs/dbraw/zinc/94/98/62/563949862.db2.gz PXNWNTVRQFXYRM-UHFFFAOYSA-N 0 0 347.393 4.476 50 0 EIAARN CC(C)N(C(=O)c1cccc(Oc2nccs2)c1)c1cccnc1 ZINC000096413135 563950879 /nfs/dbraw/zinc/95/08/79/563950879.db2.gz UWIVBMGINQWWQT-UHFFFAOYSA-N 0 0 339.420 4.386 50 0 EIAARN CC[C@H](NC(=O)NCc1cccc(COC(C)C)c1)c1nccs1 ZINC000096415285 563951212 /nfs/dbraw/zinc/95/12/12/563951212.db2.gz ZIPJXGHLZDYVOU-INIZCTEOSA-N 0 0 347.484 4.019 50 0 EIAARN CC[C@H](c1ccncc1)N(C)C(=O)NCc1csc(C(C)(C)C)n1 ZINC000096415398 563951218 /nfs/dbraw/zinc/95/12/18/563951218.db2.gz QDNJZKQPCZLHJW-OAHLLOKOSA-N 0 0 346.500 4.128 50 0 EIAARN Cc1ccc(NC(=O)CN2C[C@H](C)Sc3ccccc32)cc1C ZINC000033059222 563951619 /nfs/dbraw/zinc/95/16/19/563951619.db2.gz ZXGARIGZOHLAHB-HNNXBMFYSA-N 0 0 326.465 4.243 50 0 EIAARN CSc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1F ZINC000096461739 563954047 /nfs/dbraw/zinc/95/40/47/563954047.db2.gz ZDIIQLNZMZFNPV-CYBMUJFWSA-N 0 0 334.420 4.030 50 0 EIAARN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1nccn1CC(C)C ZINC000096478392 563955114 /nfs/dbraw/zinc/95/51/14/563955114.db2.gz QEFSTKPUHYLQAH-CYBMUJFWSA-N 0 0 334.533 4.452 50 0 EIAARN Cc1cc2ccccc2n1CCC(=O)N(C)[C@@H](C)c1nccs1 ZINC000063848836 563956139 /nfs/dbraw/zinc/95/61/39/563956139.db2.gz LNWPDADCEKKLNI-AWEZNQCLSA-N 0 0 327.453 4.016 50 0 EIAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)Cc2ccccc2)cc1 ZINC000064984036 563957373 /nfs/dbraw/zinc/95/73/73/563957373.db2.gz YCNPDOYIUIJKCK-FQEVSTJZSA-N 0 0 343.492 4.442 50 0 EIAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)Cc2ccccc2)cc1 ZINC000064984038 563957418 /nfs/dbraw/zinc/95/74/18/563957418.db2.gz YCNPDOYIUIJKCK-HXUWFJFHSA-N 0 0 343.492 4.442 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)C[C@@H]3c2ccoc2)c1 ZINC000065369979 563958366 /nfs/dbraw/zinc/95/83/66/563958366.db2.gz OFWZAOVCJKRJMW-GOSISDBHSA-N 0 0 346.386 4.314 50 0 EIAARN O[C@H](Cc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccco1 ZINC000065406550 563960240 /nfs/dbraw/zinc/96/02/40/563960240.db2.gz WLBHOJMIUZDLFY-LJQANCHMSA-N 0 0 344.414 4.414 50 0 EIAARN Cc1c2ccccc2sc1[C@H]1CC(=O)NCc2nc3ccccn3c21 ZINC000065426973 563960704 /nfs/dbraw/zinc/96/07/04/563960704.db2.gz CFCXXPISYHUEPC-AWEZNQCLSA-N 0 0 347.443 4.009 50 0 EIAARN CC(C)c1nc(CN(C)Cc2coc3ccccc3c2=O)cs1 ZINC000065432199 563960866 /nfs/dbraw/zinc/96/08/66/563960866.db2.gz CPCKYEMEOOTADH-UHFFFAOYSA-N 0 0 328.437 4.005 50 0 EIAARN c1cc([C@H]2CCCO2)sc1-c1n[nH]c(CCc2ccccc2)n1 ZINC000065468303 563961253 /nfs/dbraw/zinc/96/12/53/563961253.db2.gz ZMLURZGERLWQOR-CQSZACIVSA-N 0 0 325.437 4.170 50 0 EIAARN c1nc(-c2ccccc2)c([C@@H]2CCOC2)n1CCOc1ccccc1 ZINC000065489825 563961530 /nfs/dbraw/zinc/96/15/30/563961530.db2.gz LDSVXIMQTVSHSJ-GOSISDBHSA-N 0 0 334.419 4.133 50 0 EIAARN c1cn(Cc2ccccn2)c(-c2ccc([C@@H]3CCCCO3)s2)n1 ZINC000067642592 563962420 /nfs/dbraw/zinc/96/24/20/563962420.db2.gz SDPCAMQHYNAKMC-HNNXBMFYSA-N 0 0 325.437 4.297 50 0 EIAARN Cc1csc2ncnc(-c3ccc([C@@H](C)N4CCOCC4)cc3)c12 ZINC000067724157 563962633 /nfs/dbraw/zinc/96/26/33/563962633.db2.gz YNROFEUFOXJMIM-CQSZACIVSA-N 0 0 339.464 4.060 50 0 EIAARN Cc1ccccc1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000006698855 563963328 /nfs/dbraw/zinc/96/33/28/563963328.db2.gz KKNQHVARUVTLKH-UHFFFAOYSA-N 0 0 340.167 4.217 50 0 EIAARN O=C(NCc1ccccc1)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073261 563963384 /nfs/dbraw/zinc/96/33/84/563963384.db2.gz HBCATALVAZWXDL-UHFFFAOYSA-N 0 0 345.446 4.155 50 0 EIAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)c1C ZINC000033071688 563963393 /nfs/dbraw/zinc/96/33/93/563963393.db2.gz ABVCLOYJANAYID-MRXNPFEDSA-N 0 0 348.450 4.035 50 0 EIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccccc1CC ZINC000033086163 563963464 /nfs/dbraw/zinc/96/34/64/563963464.db2.gz JYQPRFNEOWRBTH-UHFFFAOYSA-N 0 0 334.423 4.266 50 0 EIAARN CC[C@@H](C)NC(=O)c1ccc(-c2ccc(Oc3ccccc3)nn2)cc1 ZINC000033130948 563963682 /nfs/dbraw/zinc/96/36/82/563963682.db2.gz JILSYVVEYYAZJM-OAHLLOKOSA-N 0 0 347.418 4.464 50 0 EIAARN Cc1ccc(N(C)c2ccc(C(=O)NCc3ccncc3)cc2)cc1 ZINC000071375646 563964198 /nfs/dbraw/zinc/96/41/98/563964198.db2.gz ZNDHFXMUQFSSDI-UHFFFAOYSA-N 0 0 331.419 4.088 50 0 EIAARN COCc1nn2c(nccc2-c2cccc(OC)c2)c1-c1ccccc1 ZINC000071376088 563964206 /nfs/dbraw/zinc/96/42/06/563964206.db2.gz QBSIIYJLQBPYPD-UHFFFAOYSA-N 0 0 345.402 4.218 50 0 EIAARN CCc1nc(-c2nccn2[C@H](CC)c2nc3cc(C)ccc3[nH]2)c(C)[nH]1 ZINC000071388565 563964236 /nfs/dbraw/zinc/96/42/36/563964236.db2.gz KVNZRKNLCSDYGT-MRXNPFEDSA-N 0 0 348.454 4.328 50 0 EIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(Cl)c1 ZINC000071384976 563964241 /nfs/dbraw/zinc/96/42/41/563964241.db2.gz FXZUBRKXBVKMLY-UHFFFAOYSA-N 0 0 342.826 4.137 50 0 EIAARN COc1ccc(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000006704205 563964474 /nfs/dbraw/zinc/96/44/74/563964474.db2.gz MXZYUZQGYGODNK-UHFFFAOYSA-N 0 0 334.297 4.355 50 0 EIAARN Cc1c2cc(C)cc(CNc3cc(N)ncn3)c2[nH]c1-c1ccccc1 ZINC000071551627 563964564 /nfs/dbraw/zinc/96/45/64/563964564.db2.gz VJFNUEOFNKWRAM-UHFFFAOYSA-N 0 0 343.434 4.436 50 0 EIAARN Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000071589653 563964614 /nfs/dbraw/zinc/96/46/14/563964614.db2.gz XCSODRGXPIQQLI-KRWDZBQOSA-N 0 0 349.352 4.065 50 0 EIAARN Clc1ccc([C@@H]2CN(CCc3ccccn3)CCO2)cc1Cl ZINC000071751278 563965117 /nfs/dbraw/zinc/96/51/17/563965117.db2.gz SHECAWJMNGSQEB-KRWDZBQOSA-N 0 0 337.250 4.004 50 0 EIAARN CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)no1 ZINC000071759814 563965344 /nfs/dbraw/zinc/96/53/44/563965344.db2.gz SFGCFPPSAPRERC-INIZCTEOSA-N 0 0 344.430 4.422 50 0 EIAARN CSc1nc(C(=O)Nc2ccc3[nH]c(C)cc3c2)c2ccccn21 ZINC000060581532 563965918 /nfs/dbraw/zinc/96/59/18/563965918.db2.gz LRVCHTVLBQBVEU-UHFFFAOYSA-N 0 0 336.420 4.098 50 0 EIAARN CC(C)n1nccc1NC(=O)c1cc2cccc(Br)c2o1 ZINC000033245485 563965958 /nfs/dbraw/zinc/96/59/58/563965958.db2.gz ISOPCUVNPVJXTA-UHFFFAOYSA-N 0 0 348.200 4.225 50 0 EIAARN CCN(C(=O)c1ccc(-c2noc(C3CC3)n2)cc1)c1ccccc1 ZINC000033254286 563966000 /nfs/dbraw/zinc/96/60/00/563966000.db2.gz MZWMSRAWIAEUDS-UHFFFAOYSA-N 0 0 333.391 4.281 50 0 EIAARN O=C(NCc1ccccc1)c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000033254386 563966048 /nfs/dbraw/zinc/96/60/48/563966048.db2.gz KSLPJFRXVQLPLP-UHFFFAOYSA-N 0 0 347.418 4.324 50 0 EIAARN Cc1ccc(C(=O)c2sc(Nc3ccccc3F)nc2N)cc1 ZINC000033251688 563966092 /nfs/dbraw/zinc/96/60/92/563966092.db2.gz QSHQDYFTKHMFFI-UHFFFAOYSA-N 0 0 327.384 4.147 50 0 EIAARN CC(C)NC(=O)c1cccc(-c2noc(/C=C/c3ccccc3)n2)c1 ZINC000033257787 563966243 /nfs/dbraw/zinc/96/62/43/563966243.db2.gz QUIFMZVGKXSORY-VAWYXSNFSA-N 0 0 333.391 4.045 50 0 EIAARN c1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1 ZINC000033262423 563966310 /nfs/dbraw/zinc/96/63/10/563966310.db2.gz JUOOVTALIJOPMJ-UHFFFAOYSA-N 0 0 346.415 4.486 50 0 EIAARN CCCCCNC(=O)c1cc(N2CCC[C@@H](C)C2)nc2ccccc21 ZINC000022343459 563966799 /nfs/dbraw/zinc/96/67/99/563966799.db2.gz GVDYPEDUYOXQJT-MRXNPFEDSA-N 0 0 339.483 4.391 50 0 EIAARN CCNc1ccc(Cl)cc1NC(=O)c1cc(NC(C)=O)ccc1F ZINC000097048577 563967068 /nfs/dbraw/zinc/96/70/68/563967068.db2.gz KMMUBHILVPWOCL-UHFFFAOYSA-N 0 0 349.793 4.122 50 0 EIAARN Cc1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)sc1Br ZINC000074941258 563967102 /nfs/dbraw/zinc/96/71/02/563967102.db2.gz JFINFYUCNBCOCQ-VIFPVBQESA-N 0 0 347.278 4.286 50 0 EIAARN Cc1nc(C[S@@](=O)[C@H](C)c2cccc(Br)c2)oc1C ZINC000097083666 563967179 /nfs/dbraw/zinc/96/71/79/563967179.db2.gz MYBZZXYOPQZSBF-WYRIXSBYSA-N 0 0 342.258 4.064 50 0 EIAARN COc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000000070350 563967511 /nfs/dbraw/zinc/96/75/11/563967511.db2.gz HUIYILRULRCHPX-UHFFFAOYSA-N 0 0 345.196 4.099 50 0 EIAARN C[C@H]1CCCCN1c1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000033269094 563967649 /nfs/dbraw/zinc/96/76/49/563967649.db2.gz BOTVXTMCCDXLPU-NSHDSACASA-N 0 0 328.803 4.317 50 0 EIAARN CCOC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000000032828 563967789 /nfs/dbraw/zinc/96/77/89/563967789.db2.gz IUDAMXRXVKGJIC-UHFFFAOYSA-N 0 0 337.297 4.134 50 0 EIAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)[NH2+]CC2 ZINC000000034542 563967821 /nfs/dbraw/zinc/96/78/21/563967821.db2.gz IKUQDTRLGIRQET-OAQYLSRUSA-N 0 0 325.452 4.282 50 0 biogenic EIAARN CCOc1ccc([C@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)cc1 ZINC000000034504 563967831 /nfs/dbraw/zinc/96/78/31/563967831.db2.gz BITGIXSXFHMOBA-OAQYLSRUSA-N 0 0 341.451 4.118 50 0 biogenic EIAARN Cc1nc(CCn2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)no1 ZINC000077286208 563968710 /nfs/dbraw/zinc/96/87/10/563968710.db2.gz OQMCHKHLBUPNNX-UHFFFAOYSA-N 0 0 342.402 4.055 50 0 EIAARN Cc1nc([C@H](C)N(C)C(=O)Cc2c(F)cccc2Cl)c(C)s1 ZINC000082097657 563972196 /nfs/dbraw/zinc/97/21/96/563972196.db2.gz DIVLCUSRTPGZLE-VIFPVBQESA-N 0 0 340.851 4.315 50 0 EIAARN Cc1cc(C)n(-c2cccc(-c3nccn3Cc3c(C)noc3C)c2)n1 ZINC000077377755 563969296 /nfs/dbraw/zinc/96/92/96/563969296.db2.gz UQZWSOBGYCVHOX-UHFFFAOYSA-N 0 0 347.422 4.006 50 0 EIAARN COc1cc(F)c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000077423338 563969560 /nfs/dbraw/zinc/96/95/60/563969560.db2.gz PAKMLEDIHVYZHB-QGZVFWFLSA-N 0 0 349.352 4.480 50 0 EIAARN Cc1cc(C)c2nc(C)cc(C(=O)N(C)Cc3cc(C4CC4)on3)c2c1 ZINC000077470187 563969891 /nfs/dbraw/zinc/96/98/91/563969891.db2.gz WAHPVUKLIFHGSQ-UHFFFAOYSA-N 0 0 349.434 4.298 50 0 EIAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N(C)CCCn1cccn1 ZINC000077504920 563970011 /nfs/dbraw/zinc/97/00/11/563970011.db2.gz RUBKWTMUAXPKIG-UHFFFAOYSA-N 0 0 345.830 4.062 50 0 EIAARN CC(C)c1ocnc1C[S@@](=O)Cc1cccc(Br)c1 ZINC000097047717 563971697 /nfs/dbraw/zinc/97/16/97/563971697.db2.gz ZPPAXTQMFGOIKD-LJQANCHMSA-N 0 0 342.258 4.009 50 0 EIAARN CC(C)Oc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000043750524 563971707 /nfs/dbraw/zinc/97/17/07/563971707.db2.gz JUYFYCBQKYACBZ-UHFFFAOYSA-N 0 0 348.240 4.166 50 0 EIAARN Cc1ccc(F)c(-c2nccn2Cc2cncn2C2CC2)c1Cl ZINC000082086619 563972028 /nfs/dbraw/zinc/97/20/28/563972028.db2.gz HZDRJROULZDQKU-UHFFFAOYSA-N 0 0 330.794 4.231 50 0 EIAARN Cc1cc(C(=O)N2CCC[C@H]2c2cccnc2)c2ccc(F)cc2n1 ZINC000082107632 563972310 /nfs/dbraw/zinc/97/23/10/563972310.db2.gz PQRPZABQCLPUKM-IBGZPJMESA-N 0 0 335.382 4.055 50 0 EIAARN Cc1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2cccc(C)c2n1 ZINC000082120620 563972441 /nfs/dbraw/zinc/97/24/41/563972441.db2.gz GURQRRNBRFGHMX-HXUWFJFHSA-N 0 0 346.430 4.065 50 0 EIAARN CC(C)(C)OC(=O)NC1CC(c2ccc(Br)cc2)C1 ZINC000090636337 563974973 /nfs/dbraw/zinc/97/49/73/563974973.db2.gz QNAOUEYTGWGKAV-UHFFFAOYSA-N 0 0 326.234 4.220 50 0 EIAARN CN(Cc1cc(-c2cccnc2)no1)C(=O)c1cc2ccccc2s1 ZINC000082156452 563972750 /nfs/dbraw/zinc/97/27/50/563972750.db2.gz ZMUKZVXRNXPROI-UHFFFAOYSA-N 0 0 349.415 4.224 50 0 EIAARN CCc1ccc(NC(=O)c2ccc(Oc3ccc(C)nn3)cc2)cc1 ZINC000082230677 563972908 /nfs/dbraw/zinc/97/29/08/563972908.db2.gz CQDZRXVSMZUYOP-UHFFFAOYSA-N 0 0 333.391 4.392 50 0 EIAARN Cc1ccc(N(Cc2ccco2)C(=O)c2cn3ccccc3n2)cc1 ZINC000060666071 563973061 /nfs/dbraw/zinc/97/30/61/563973061.db2.gz ZPSUKPYALCNPCA-UHFFFAOYSA-N 0 0 331.375 4.083 50 0 EIAARN Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000033290194 563973075 /nfs/dbraw/zinc/97/30/75/563973075.db2.gz SSZNSKYXLRKBSD-GOSISDBHSA-N 0 0 347.418 4.065 50 0 EIAARN O=C(c1ccc(CN2CCSCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000085651288 563973877 /nfs/dbraw/zinc/97/38/77/563973877.db2.gz IJMJBVBSFMQJEU-UHFFFAOYSA-N 0 0 349.858 4.259 50 0 EIAARN O=C(NC[C@H](c1ccco1)c1cccs1)c1c(F)cccc1F ZINC000585146706 563973952 /nfs/dbraw/zinc/97/39/52/563973952.db2.gz FGAKBTBBGAVSAH-LLVKDONJSA-N 0 0 333.359 4.181 50 0 EIAARN O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccc(F)c(F)c1 ZINC000585146739 563973984 /nfs/dbraw/zinc/97/39/84/563973984.db2.gz JZGRXUOYNQNYSE-LBPRGKRZSA-N 0 0 333.359 4.181 50 0 EIAARN Cc1cccn2cc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc12 ZINC000000079510 563974558 /nfs/dbraw/zinc/97/45/58/563974558.db2.gz FPLNNVHPIOFWGQ-UHFFFAOYSA-N 0 0 341.414 4.491 50 0 EIAARN CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000072288649 563976209 /nfs/dbraw/zinc/97/62/09/563976209.db2.gz DUQDHHJTGJMBOK-BLLLJJGKSA-N 0 0 331.847 4.440 50 0 EIAARN COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 ZINC000000089850 563976447 /nfs/dbraw/zinc/97/64/47/563976447.db2.gz SRHOZZVOGMCUTA-UHFFFAOYSA-N 0 0 349.839 4.319 50 0 EIAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(OC)c1 ZINC000000090611 563976534 /nfs/dbraw/zinc/97/65/34/563976534.db2.gz XYPQKLGLKJVONG-UHFFFAOYSA-N 0 0 336.391 4.472 50 0 EIAARN Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(C)cc2)S3)cc1 ZINC000000093528 563976634 /nfs/dbraw/zinc/97/66/34/563976634.db2.gz XALJGBDCCKNBDJ-INIZCTEOSA-N 0 0 335.432 4.439 50 0 EIAARN CN(Cc1ccc(Oc2ccccc2)cc1)c1nc(CO)cs1 ZINC000095520765 563977356 /nfs/dbraw/zinc/97/73/56/563977356.db2.gz QMLVULLTOUZXKW-UHFFFAOYSA-N 0 0 326.421 4.064 50 0 EIAARN CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000096131484 563979338 /nfs/dbraw/zinc/97/93/38/563979338.db2.gz KXYBVDRKNAEUNE-CQSZACIVSA-N 0 0 330.350 4.128 50 0 EIAARN Cc1ccccc1-c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2O)c1 ZINC000096130516 563979339 /nfs/dbraw/zinc/97/93/39/563979339.db2.gz AQVOWUPFFLPGIE-UXHICEINSA-N 0 0 338.451 4.429 50 0 EIAARN COCC(C)(C)CNC(=O)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000096131152 563979362 /nfs/dbraw/zinc/97/93/62/563979362.db2.gz SABDEYUJMGMOHD-UHFFFAOYSA-N 0 0 330.403 4.287 50 0 EIAARN O=C(Nc1cccc(-c2cscn2)c1)N[C@H]1COC2(CCCC2)C1 ZINC000096140278 563979547 /nfs/dbraw/zinc/97/95/47/563979547.db2.gz VCFLGMFRDIMMFX-OAHLLOKOSA-N 0 0 343.452 4.033 50 0 EIAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000096148066 563979560 /nfs/dbraw/zinc/97/95/60/563979560.db2.gz WZSCKUIMXCXGSW-IBGZPJMESA-N 0 0 347.418 4.068 50 0 EIAARN COc1ccc(-c2nc3c4cc(-c5ccccc5)oc4ncn3n2)cc1 ZINC000096194527 563980118 /nfs/dbraw/zinc/98/01/18/563980118.db2.gz XHRZJKIKOBATPT-UHFFFAOYSA-N 0 0 342.358 4.213 50 0 EIAARN CC(=O)c1cccc(NC(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000176257030 563981458 /nfs/dbraw/zinc/98/14/58/563981458.db2.gz OMHMHQYHOGLMJU-HNNXBMFYSA-N 0 0 329.425 4.105 50 0 EIAARN CC(C)c1ccc(/C=C\[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000102354453 563983194 /nfs/dbraw/zinc/98/31/94/563983194.db2.gz PZKRHDFROJTOHK-DSTYWPJMSA-N 0 0 346.474 4.447 50 0 EIAARN Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc(F)c2)S3)cc1 ZINC000000107816 563986472 /nfs/dbraw/zinc/98/64/72/563986472.db2.gz JWUSZJNQQFALPG-OAHLLOKOSA-N 0 0 339.395 4.270 50 0 EIAARN Cc1ccccc1NC(=O)COc1ccc(Br)c(C)c1 ZINC000000117369 563986705 /nfs/dbraw/zinc/98/67/05/563986705.db2.gz MAIARRROBCOUNF-UHFFFAOYSA-N 0 0 334.213 4.083 50 0 EIAARN Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc(C)c1Cl ZINC000000118097 563986737 /nfs/dbraw/zinc/98/67/37/563986737.db2.gz GWPOGSWBUIZOJH-UHFFFAOYSA-N 0 0 328.751 4.282 50 0 EIAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1C ZINC000000130798 563986922 /nfs/dbraw/zinc/98/69/22/563986922.db2.gz IADNAXWPXZYJIV-UHFFFAOYSA-N 0 0 331.799 4.061 50 0 EIAARN Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1Cl ZINC000000131922 563986985 /nfs/dbraw/zinc/98/69/85/563986985.db2.gz KCDSVXGVUIESBQ-UHFFFAOYSA-N 0 0 338.190 4.097 50 0 EIAARN O=C1c2ccccc2C(=O)N1CCCc1c[nH]c2ccc(Cl)cc12 ZINC000000174870 563987606 /nfs/dbraw/zinc/98/76/06/563987606.db2.gz PSUOLGHURRKIST-UHFFFAOYSA-N 0 0 338.794 4.050 50 0 EIAARN CCOc1ccc(-n2c(C)c3c(c2C)c(OCC)cccc3=O)cc1 ZINC000000177517 563987725 /nfs/dbraw/zinc/98/77/25/563987725.db2.gz IBGGEPKJZZEQSR-UHFFFAOYSA-N 0 0 337.419 4.405 50 0 biogenic EIAARN O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccccc1 ZINC000000180323 563987810 /nfs/dbraw/zinc/98/78/10/563987810.db2.gz KBMKDNSDVOGGGE-HNNXBMFYSA-N 0 0 334.238 4.228 50 0 EIAARN Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)cc1 ZINC000000190352 563988118 /nfs/dbraw/zinc/98/81/18/563988118.db2.gz LNXFUUBQOQSKOA-UHFFFAOYSA-N 0 0 349.459 4.109 50 0 EIAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1C ZINC000000190392 563988120 /nfs/dbraw/zinc/98/81/20/563988120.db2.gz FRCUDOUINIYEAP-UHFFFAOYSA-N 0 0 325.389 4.249 50 0 EIAARN Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccccc1)CSC2 ZINC000000190349 563988126 /nfs/dbraw/zinc/98/81/26/563988126.db2.gz JFFRYMKNAGDGCK-UHFFFAOYSA-N 0 0 349.459 4.109 50 0 EIAARN COc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 ZINC000000190950 563988130 /nfs/dbraw/zinc/98/81/30/563988130.db2.gz DQIQHGKUFJRLAE-UHFFFAOYSA-N 0 0 328.368 4.210 50 0 EIAARN O=C(NC1CC1)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000000212133 563988521 /nfs/dbraw/zinc/98/85/21/563988521.db2.gz CVPFIPDBSOYAOG-UHFFFAOYSA-N 0 0 338.407 4.417 50 0 EIAARN CC1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000000213274 563988574 /nfs/dbraw/zinc/98/85/74/563988574.db2.gz OEUBOFKIFPOMFA-UHFFFAOYSA-N 0 0 327.375 4.460 50 0 EIAARN Cc1ccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)c(C)c1 ZINC000000216275 563988679 /nfs/dbraw/zinc/98/86/79/563988679.db2.gz FOFYTWGUIGETSI-UHFFFAOYSA-N 0 0 333.435 4.315 50 0 EIAARN CC1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000000217782 563988733 /nfs/dbraw/zinc/98/87/33/563988733.db2.gz JVGZKCBMNBHWPR-UHFFFAOYSA-N 0 0 331.419 4.169 50 0 EIAARN Cc1cc(C)cc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)c1 ZINC000000248371 563989461 /nfs/dbraw/zinc/98/94/61/563989461.db2.gz GYODVXDTERASEQ-IBGZPJMESA-N 0 0 344.499 4.353 50 0 EIAARN O=C(Nc1ccc(Cl)cc1Cl)c1cncc(Br)c1 ZINC000000255995 563989545 /nfs/dbraw/zinc/98/95/45/563989545.db2.gz QTSTXILHQXGMSO-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C)c(C)c1 ZINC000000253020 563989549 /nfs/dbraw/zinc/98/95/49/563989549.db2.gz KHOIELQSQBSSKI-UHFFFAOYSA-N 0 0 337.375 4.479 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1Br ZINC000000258667 563989617 /nfs/dbraw/zinc/98/96/17/563989617.db2.gz WBFHHVVETMXYQV-UHFFFAOYSA-N 0 0 334.213 4.409 50 0 EIAARN O=C(Nc1ccc(-c2noc(-c3ccccc3F)n2)cc1)c1ccco1 ZINC000000302541 563990855 /nfs/dbraw/zinc/99/08/55/563990855.db2.gz RNJHGMHGVIKKFV-UHFFFAOYSA-N 0 0 349.321 4.388 50 0 EIAARN Cc1ccc(C)c(O[C@@H]2OCCO[C@H]2Oc2cc(C)ccc2C)c1 ZINC000000312357 563990952 /nfs/dbraw/zinc/99/09/52/563990952.db2.gz FIWQEUYGWOXXMV-PMACEKPBSA-N 0 0 328.408 4.077 50 0 EIAARN O=S1(=O)C=C(Sc2cccc3cccnc32)c2ccccc21 ZINC000000315186 563990974 /nfs/dbraw/zinc/99/09/74/563990974.db2.gz IPRRCJWVASXCFL-UHFFFAOYSA-N 0 0 325.414 4.113 50 0 EIAARN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000000345416 563991455 /nfs/dbraw/zinc/99/14/55/563991455.db2.gz RREKAVMWLSIMRT-UHFFFAOYSA-N 0 0 330.387 4.500 50 0 EIAARN C[C@@H](C[C@@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000000376861 563991895 /nfs/dbraw/zinc/99/18/95/563991895.db2.gz WEGRZIRJQQGVAM-VHSXEESVSA-N 0 0 344.238 4.300 50 0 EIAARN CC(=O)Nc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000000382422 563991918 /nfs/dbraw/zinc/99/19/18/563991918.db2.gz JWHIDXXDLWEVML-HXUWFJFHSA-N 0 0 332.407 4.098 50 0 EIAARN C/C=C\c1ccc(OCC(=O)Nc2cc(F)ccc2C)c(OC)c1 ZINC000033530974 563992543 /nfs/dbraw/zinc/99/25/43/563992543.db2.gz QMOOYOOKEWFFOF-PLNGDYQASA-N 0 0 329.371 4.193 50 0 EIAARN CCc1nnc(COc2cc(C(F)F)nc3ccc(Cl)cc32)o1 ZINC000408516853 563992868 /nfs/dbraw/zinc/99/28/68/563992868.db2.gz WLCUYSCXZNDXTO-UHFFFAOYSA-N 0 0 339.729 4.350 50 0 EIAARN CC(=O)Nc1ccc(C(=O)N(C)c2cccc3ccccc32)cc1F ZINC000408514494 563992892 /nfs/dbraw/zinc/99/28/92/563992892.db2.gz BVJKHQXFWCSHRH-UHFFFAOYSA-N 0 0 336.366 4.214 50 0 EIAARN CC(C)n1ccnc1-c1csc(C[C@@H](C)n2cc(Cl)cn2)n1 ZINC000408523363 563993239 /nfs/dbraw/zinc/99/32/39/563993239.db2.gz JCMHTMVOWNIRTF-LLVKDONJSA-N 0 0 335.864 4.241 50 0 EIAARN c1ccc2c(c1)OC[C@H](c1nnc(SCC3CCCCC3)o1)O2 ZINC000061130367 563993287 /nfs/dbraw/zinc/99/32/87/563993287.db2.gz BJHDYEYLYFEHTL-OAHLLOKOSA-N 0 0 332.425 4.255 50 0 EIAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000257365261 563993303 /nfs/dbraw/zinc/99/33/03/563993303.db2.gz UDCMKNOLKHGTHB-BBWFWOEESA-N 0 0 344.455 4.448 50 0 EIAARN Cc1nc2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc2s1 ZINC000000387212 563993535 /nfs/dbraw/zinc/99/35/35/563993535.db2.gz XQZQOANBKBUFCE-UHFFFAOYSA-N 0 0 332.450 4.022 50 0 EIAARN C[C@@H]1CCCN(c2csc3ccc(Br)cc3c2=O)C1 ZINC000005075385 563994178 /nfs/dbraw/zinc/99/41/78/563994178.db2.gz CETUVJFKNMQUMB-SNVBAGLBSA-N 0 0 338.270 4.260 50 0 EIAARN Cc1nc(C(C)(C)C)sc1C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000061409413 563994182 /nfs/dbraw/zinc/99/41/82/563994182.db2.gz GJFCIJNHSDXUPB-UHFFFAOYSA-N 0 0 334.489 4.396 50 0 EIAARN Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000409413709 563994530 /nfs/dbraw/zinc/99/45/30/563994530.db2.gz GHWUZZCCPXLMSI-VOBCLVGFSA-N 0 0 328.500 4.135 50 0 EIAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccccc3F)cc21 ZINC000005136347 563994564 /nfs/dbraw/zinc/99/45/64/563994564.db2.gz SSQRPEOHFGHVIN-UHFFFAOYSA-N 0 0 340.398 4.013 50 0 EIAARN O=c1cc(-c2ccccc2)nc(SCc2cccc(Cl)c2)[nH]1 ZINC000005154889 563994763 /nfs/dbraw/zinc/99/47/63/563994763.db2.gz RKUCKYUAPWSMCK-UHFFFAOYSA-N 0 0 328.824 4.383 50 0 EIAARN C[C@@H](Sc1nnc(-c2cccnc2)n1C)c1ccc(F)cc1F ZINC000124908408 563995366 /nfs/dbraw/zinc/99/53/66/563995366.db2.gz NLDNXEDUUMZFNN-SNVBAGLBSA-N 0 0 332.379 4.009 50 0 EIAARN Fc1ccc(-c2csc(N3CCC[C@@H](c4cn[nH]c4)C3)n2)cc1 ZINC000126678831 563995758 /nfs/dbraw/zinc/99/57/58/563995758.db2.gz MOUWHDHJLONSJS-CYBMUJFWSA-N 0 0 328.416 4.056 50 0 EIAARN COc1ccc(N(C)C(=O)c2cccnc2C(F)(F)F)cc1Cl ZINC000188988029 563995832 /nfs/dbraw/zinc/99/58/32/563995832.db2.gz UEDCJDAMQOBNNJ-UHFFFAOYSA-N 0 0 344.720 4.039 50 0 EIAARN C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)cc1 ZINC000426503066 563996221 /nfs/dbraw/zinc/99/62/21/563996221.db2.gz QWQMKCBAGWKRNL-SFHVURJKSA-N 0 0 345.874 4.097 50 0 EIAARN Cc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccccc1C2(C)C ZINC000005164479 563996575 /nfs/dbraw/zinc/99/65/75/563996575.db2.gz AWCMRVVDUGXYJZ-VKXNWWILSA-N 0 0 332.447 4.022 50 0 EIAARN CCC(=O)N[C@@H](c1ccccc1)c1c(OC(C)=O)ccc2ccccc21 ZINC000000245312 563996664 /nfs/dbraw/zinc/99/66/64/563996664.db2.gz CCQFETNHHYUGSA-QFIPXVFZSA-N 0 0 347.414 4.381 50 0 EIAARN Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@@H]2c2ccncc2)s1 ZINC000135478312 563997447 /nfs/dbraw/zinc/99/74/47/563997447.db2.gz ZNZRUDKVXVMCHQ-MRXNPFEDSA-N 0 0 344.484 4.414 50 0 EIAARN CC(C)Cn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1ccccc1 ZINC000000200875 563997622 /nfs/dbraw/zinc/99/76/22/563997622.db2.gz FJRBJBCPZLEGLN-MRXNPFEDSA-N 0 0 335.451 4.112 50 0 EIAARN C[C@@H](O)c1ncc(C(=O)Nc2ccc(Nc3ccccc3)cc2)s1 ZINC000252507696 563997856 /nfs/dbraw/zinc/99/78/56/563997856.db2.gz WRVPOOCQSZVELG-GFCCVEGCSA-N 0 0 339.420 4.192 50 0 EIAARN Cn1ccnc1-c1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000136813776 563997957 /nfs/dbraw/zinc/99/79/57/563997957.db2.gz PECKGTONKMFSEW-UHFFFAOYSA-N 0 0 347.752 4.271 50 0 EIAARN O=C(CCCc1c[nH]c2ccccc12)N1CC=C(C(F)(F)F)CC1 ZINC000270315490 563998082 /nfs/dbraw/zinc/99/80/82/563998082.db2.gz ZQTAMJLIPPFDQG-UHFFFAOYSA-N 0 0 336.357 4.212 50 0 EIAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1Cl ZINC000000423751 563998352 /nfs/dbraw/zinc/99/83/52/563998352.db2.gz NGLPYZKNSMYJSB-INIZCTEOSA-N 0 0 337.803 4.266 50 0 EIAARN O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1cc(Cl)ccc1O ZINC000000424052 563998443 /nfs/dbraw/zinc/99/84/43/563998443.db2.gz ZDYGXXJTQGHVMK-HNNXBMFYSA-N 0 0 340.231 4.478 50 0 EIAARN Cn1c(CNc2ccc(Cl)cc2)nnc1SCc1ccccc1 ZINC000000422275 563998500 /nfs/dbraw/zinc/99/85/00/563998500.db2.gz COJYTBDTGOONBW-UHFFFAOYSA-N 0 0 344.871 4.373 50 0 EIAARN Cc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1 ZINC000000427380 563998693 /nfs/dbraw/zinc/99/86/93/563998693.db2.gz MTUBBUBMDQXHTG-UHFFFAOYSA-N 0 0 341.411 4.051 50 0 EIAARN COc1ccc2nc3sc(C(=O)NC4CCCC4)cc3cc2c1 ZINC000000428374 563998890 /nfs/dbraw/zinc/99/88/90/563998890.db2.gz HBFNGCHGLGBZDY-UHFFFAOYSA-N 0 0 326.421 4.131 50 0 EIAARN CCOC(=O)CSc1nc2ccccc2c(NC2CCCCC2)n1 ZINC000000425526 563998969 /nfs/dbraw/zinc/99/89/69/563998969.db2.gz BBHWFDJHUPGJNP-UHFFFAOYSA-N 0 0 345.468 4.030 50 0 EIAARN CSc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000430877 563999406 /nfs/dbraw/zinc/99/94/06/563999406.db2.gz ODKMAMSQIZHFHF-GDNBJRDFSA-N 0 0 329.808 4.406 50 0 EIAARN COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccco3)C[C@H]21 ZINC000000221388 563999661 /nfs/dbraw/zinc/99/96/61/563999661.db2.gz MRXPNSQWHZIUDF-MRXNPFEDSA-N 0 0 338.407 4.492 50 0 EIAARN CCn1ccc2ccc(NC(=O)c3ccc(-c4nnc(C)o4)cc3)cc21 ZINC000073880165 564000080 /nfs/dbraw/zinc/00/00/80/564000080.db2.gz QNJUDJYOURQWOR-UHFFFAOYSA-N 0 0 346.390 4.272 50 0 EIAARN Cc1ccc2cccc(OCC(=O)Nc3ccc(Cl)cc3F)c2n1 ZINC000005198662 564000317 /nfs/dbraw/zinc/00/03/17/564000317.db2.gz RNIQNDDDYBICGQ-UHFFFAOYSA-N 0 0 344.773 4.353 50 0 EIAARN Cn1ccc2cc(CCC(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000075550547 564000466 /nfs/dbraw/zinc/00/04/66/564000466.db2.gz NGBFIKNUQXKYTF-UHFFFAOYSA-N 0 0 326.827 4.081 50 0 EIAARN Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c(C)c1 ZINC000078757900 564000942 /nfs/dbraw/zinc/00/09/42/564000942.db2.gz FMJDTAFECWHLFK-UHFFFAOYSA-N 0 0 332.403 4.219 50 0 EIAARN C[C@@H](NC(=O)N(CC1CC1)CC1CC1)c1nc(C2CCCCC2)no1 ZINC000080573878 564001052 /nfs/dbraw/zinc/00/10/52/564001052.db2.gz NKSJIHLQFGQETD-CYBMUJFWSA-N 0 0 346.475 4.010 50 0 EIAARN Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)c1 ZINC000005219644 564001177 /nfs/dbraw/zinc/00/11/77/564001177.db2.gz TVIDCIKIWLEXJJ-UHFFFAOYSA-N 0 0 334.419 4.026 50 0 EIAARN CC(C)(NCc1nccn1C(F)F)c1ccccc1Br ZINC000179329066 564001939 /nfs/dbraw/zinc/00/19/39/564001939.db2.gz IPYZYOBKNUKFSJ-UHFFFAOYSA-N 0 0 344.203 4.066 50 0 EIAARN Cc1cc(-n2c(C)cc(-c3csc(N4CCCC4)n3)c2C)no1 ZINC000005277571 564002315 /nfs/dbraw/zinc/00/23/15/564002315.db2.gz SBOMYIUKULZJNP-UHFFFAOYSA-N 0 0 328.441 4.114 50 0 EIAARN CSc1nnc2c(n1)N[C@@H]([C@@H]1CC=C(C)CC1)Oc1ccccc1-2 ZINC000001020668 564002358 /nfs/dbraw/zinc/00/23/58/564002358.db2.gz FDQUHUVJYFJQDZ-SJKOYZFVSA-N 0 0 340.452 4.137 50 0 EIAARN C[C@@H]1C(=O)CCN(CC(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1 ZINC000061931295 564002374 /nfs/dbraw/zinc/00/23/74/564002374.db2.gz GIHFVUHAZSIUAO-IVZQSRNASA-N 0 0 346.430 4.003 50 0 EIAARN C[C@@H](OC(=O)c1cc(Cl)ccc1O)c1nnc(-c2ccccc2)o1 ZINC000005298275 564002404 /nfs/dbraw/zinc/00/24/04/564002404.db2.gz SKANFBSBBPWADX-SNVBAGLBSA-N 0 0 344.754 4.014 50 0 EIAARN O=C(Nc1cccc2ncccc21)[C@@H](c1ccccc1)n1cccc1 ZINC000062021936 564002772 /nfs/dbraw/zinc/00/27/72/564002772.db2.gz KHKBLUYRDUOXCN-HXUWFJFHSA-N 0 0 327.387 4.264 50 0 EIAARN Cc1cccc(Cc2cnc(NC(=O)c3ccccc3F)s2)c1 ZINC000005423090 564003808 /nfs/dbraw/zinc/00/38/08/564003808.db2.gz NOLHQIIADMSNGJ-UHFFFAOYSA-N 0 0 326.396 4.434 50 0 EIAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(N2CCCCC2=O)c1 ZINC000005441611 564004017 /nfs/dbraw/zinc/00/40/17/564004017.db2.gz QOHHMSNHYKYZIS-UHFFFAOYSA-N 0 0 342.826 4.038 50 0 EIAARN O=C(OCc1ccccc1F)c1ccccc1C(=O)c1ccccc1 ZINC000003504606 564004584 /nfs/dbraw/zinc/00/45/84/564004584.db2.gz NNFVPKMVCFHRSX-UHFFFAOYSA-N 0 0 334.346 4.414 50 0 EIAARN COc1ccc(CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000005514307 564004941 /nfs/dbraw/zinc/00/49/41/564004941.db2.gz LCDWAIUMEALYRE-UHFFFAOYSA-N 0 0 340.206 4.192 50 0 EIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)[nH]n1 ZINC000005532170 564005105 /nfs/dbraw/zinc/00/51/05/564005105.db2.gz KWTFHXSPKCPYPY-UHFFFAOYSA-N 0 0 331.297 4.348 50 0 EIAARN CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000005545805 564005209 /nfs/dbraw/zinc/00/52/09/564005209.db2.gz KWMBKUJSJAPCRG-CYBMUJFWSA-N 0 0 341.842 4.325 50 0 EIAARN C[C@@H](NC(=O)CCC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000005560647 564005560 /nfs/dbraw/zinc/00/55/60/564005560.db2.gz WNOHCNQDOQBDGF-XXWNAHEMSA-N 0 0 345.508 4.432 50 0 EIAARN CC1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000005563006 564005648 /nfs/dbraw/zinc/00/56/48/564005648.db2.gz NXVWDLFQVKWKCT-UHFFFAOYSA-N 0 0 347.418 4.276 50 0 EIAARN Cc1ccc(F)cc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000008270916 564006999 /nfs/dbraw/zinc/00/69/99/564006999.db2.gz ILSQLRFFXPPZNC-HWKANZROSA-N 0 0 347.773 4.211 50 0 EIAARN CC(=O)c1cccc(NCc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000062649884 564007050 /nfs/dbraw/zinc/00/70/50/564007050.db2.gz WEPZGSHHJCQKCF-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN O=C(Nc1ncccc1Cl)c1ccc(Br)cc1Cl ZINC000179967320 564007067 /nfs/dbraw/zinc/00/70/67/564007067.db2.gz LITJKSHHTRGJDQ-UHFFFAOYSA-N 0 0 346.011 4.403 50 0 EIAARN CCCCCOc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000016032552 564008062 /nfs/dbraw/zinc/00/80/62/564008062.db2.gz PHXAHNHFSUYNBQ-GHTZIAJQSA-N 0 0 345.483 4.023 50 0 biogenic EIAARN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N(C1CC1)C1CCCC1 ZINC000081000031 564008578 /nfs/dbraw/zinc/00/85/78/564008578.db2.gz RBDOCRDHVAEPLT-UHFFFAOYSA-N 0 0 337.423 4.161 50 0 EIAARN CCCCN(CC)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017270313 564011547 /nfs/dbraw/zinc/01/15/47/564011547.db2.gz OAKIDXKDFMYRDO-UHFFFAOYSA-N 0 0 343.862 4.404 50 0 EIAARN CCCN(CCC)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017271710 564011549 /nfs/dbraw/zinc/01/15/49/564011549.db2.gz DQFUZVLWIXBGBO-UHFFFAOYSA-N 0 0 343.862 4.404 50 0 EIAARN O=C(NCc1ccc2c(c1)OCO2)c1sccc1-c1ccccc1 ZINC000017320529 564011648 /nfs/dbraw/zinc/01/16/48/564011648.db2.gz UAKSYEKXSUBVHF-UHFFFAOYSA-N 0 0 337.400 4.074 50 0 EIAARN COc1ccc(Br)c(C(=O)NCCC2=CCCCC2)c1 ZINC000017334853 564011717 /nfs/dbraw/zinc/01/17/17/564011717.db2.gz GLBOVFJBORCGOB-UHFFFAOYSA-N 0 0 338.245 4.078 50 0 EIAARN COc1cc(Br)c(CNc2cccc(C)c2)cc1OC ZINC000000277054 564012327 /nfs/dbraw/zinc/01/23/27/564012327.db2.gz ZLGAQYRLKFHBHC-UHFFFAOYSA-N 0 0 336.229 4.387 50 0 EIAARN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 ZINC000000037688 564012274 /nfs/dbraw/zinc/01/22/74/564012274.db2.gz KVTUADMJZMXXIO-UHFFFAOYSA-N 0 0 343.379 4.419 50 0 EIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1OCC ZINC000000258930 564012291 /nfs/dbraw/zinc/01/22/91/564012291.db2.gz AZJJGWMSLXOBCH-UHFFFAOYSA-N 0 0 347.436 4.193 50 0 EIAARN Cc1nc2ccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)cc2nc1C ZINC000000269982 564012311 /nfs/dbraw/zinc/01/23/11/564012311.db2.gz VGTARPZBAFJEQZ-QGZVFWFLSA-N 0 0 346.434 4.268 50 0 EIAARN COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C ZINC000000310381 564012365 /nfs/dbraw/zinc/01/23/65/564012365.db2.gz RHCKQOQKLQGVDH-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 aggregator EIAARN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000000318893 564012393 /nfs/dbraw/zinc/01/23/93/564012393.db2.gz PNUNTJZTQFVUKJ-UHFFFAOYSA-N 0 0 335.734 4.160 50 0 EIAARN O=C(Nc1cccc2cccnc21)c1ccc(Br)cc1 ZINC000000355075 564012411 /nfs/dbraw/zinc/01/24/11/564012411.db2.gz LKDOLFCMFMGHKE-UHFFFAOYSA-N 0 0 327.181 4.250 50 0 EIAARN COc1cccc(F)c1C(=O)Nc1cccc(Br)c1C ZINC000000409504 564012587 /nfs/dbraw/zinc/01/25/87/564012587.db2.gz VRLYXFJGXSGKJK-UHFFFAOYSA-N 0 0 338.176 4.158 50 0 EIAARN O=C(NC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000000455755 564012671 /nfs/dbraw/zinc/01/26/71/564012671.db2.gz PCAKRDDWPJPCSL-UHFFFAOYSA-N 0 0 332.428 4.480 50 0 EIAARN CCc1nc(SCc2cc3ccc(C)c(C)c3nc2Cl)n[nH]1 ZINC000014709543 564013122 /nfs/dbraw/zinc/01/31/22/564013122.db2.gz PNNYMQCZIRXBIW-UHFFFAOYSA-N 0 0 332.860 4.478 50 0 EIAARN Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000188667423 564013228 /nfs/dbraw/zinc/01/32/28/564013228.db2.gz PTVIDKFTZPEUOF-AWEZNQCLSA-N 0 0 348.830 4.089 50 0 EIAARN CSc1ccc(NC(=O)c2ccc(C(=O)N(C)C)cc2)cc1Cl ZINC000081105210 564013857 /nfs/dbraw/zinc/01/38/57/564013857.db2.gz RJUIGZYAERVHGW-UHFFFAOYSA-N 0 0 348.855 4.016 50 0 EIAARN O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccc(Cl)s1 ZINC000585148255 564014749 /nfs/dbraw/zinc/01/47/49/564014749.db2.gz UTIWAVFXGJGSRS-CYBMUJFWSA-N 0 0 347.823 4.125 50 0 EIAARN CCOc1cccc2c1Oc1nc(-c3ccc(C)cc3)[nH]c(=O)c1C2 ZINC000585148652 564014760 /nfs/dbraw/zinc/01/47/60/564014760.db2.gz DYCCKQWFFKCVHY-UHFFFAOYSA-N 0 0 334.375 4.253 50 0 EIAARN COC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC000005669623 564016845 /nfs/dbraw/zinc/01/68/45/564016845.db2.gz GTAQOEIWXCBOSF-PZTMWDLRSA-N 0 0 344.295 4.282 50 0 EIAARN CCc1cc2c(cc1OC)oc(=O)cc2-c1cc2ccccc2oc1=O ZINC000000490566 564017576 /nfs/dbraw/zinc/01/75/76/564017576.db2.gz FZOMBVMQSCPNGZ-UHFFFAOYSA-N 0 0 348.354 4.137 50 0 biogenic EIAARN Cc1cc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000158969765 564017601 /nfs/dbraw/zinc/01/76/01/564017601.db2.gz RQWVJGMJJPJASU-UHFFFAOYSA-N 0 0 334.199 4.242 50 0 EIAARN S=C(NCc1ccco1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000018138514 564018366 /nfs/dbraw/zinc/01/83/66/564018366.db2.gz FPMNPADJBCFBEB-UHFFFAOYSA-N 0 0 348.431 4.105 50 0 EIAARN O=C(CN1CCSc2ccccc21)Nc1ccc(Cl)cc1F ZINC000005689388 564018848 /nfs/dbraw/zinc/01/88/48/564018848.db2.gz MDJGIIKNLJNCSS-UHFFFAOYSA-N 0 0 336.819 4.030 50 0 EIAARN COc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)c1 ZINC000000501850 564019067 /nfs/dbraw/zinc/01/90/67/564019067.db2.gz GFDAKGYQPRNWQY-UHFFFAOYSA-N 0 0 343.386 4.262 50 0 EIAARN COc1ccccc1-c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)o1 ZINC000000502620 564019101 /nfs/dbraw/zinc/01/91/01/564019101.db2.gz POHASHOTFWRJLH-LGMDPLHJSA-N 0 0 345.354 4.300 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1cc(-c2cc(Cl)ccc2O)[nH]n1 ZINC000005691112 564019119 /nfs/dbraw/zinc/01/91/19/564019119.db2.gz GGANTHHMXUYIHP-UHFFFAOYSA-N 0 0 341.798 4.305 50 0 EIAARN C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000005696619 564019206 /nfs/dbraw/zinc/01/92/06/564019206.db2.gz IPTPXVVJLQYJRU-MRXNPFEDSA-N 0 0 345.508 4.284 50 0 EIAARN Fc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)cc1 ZINC000000526261 564021213 /nfs/dbraw/zinc/02/12/13/564021213.db2.gz TZKNYNZUQAYZSG-JKSUJKDBSA-N 0 0 328.778 4.217 50 0 EIAARN CC(C)C[C@@H](NC(=O)c1ccc[nH]c1=S)c1nc2ccccc2[nH]1 ZINC000014084733 564021336 /nfs/dbraw/zinc/02/13/36/564021336.db2.gz JNTNHQYJEMVADH-OAHLLOKOSA-N 0 0 340.452 4.138 50 0 EIAARN O=S(=O)(c1cccs1)N(c1cccc2ccccc21)C(F)F ZINC000000532662 564021562 /nfs/dbraw/zinc/02/15/62/564021562.db2.gz ODXWTWMZGKFDKC-UHFFFAOYSA-N 0 0 339.388 4.319 50 0 EIAARN COc1ccccc1[C@@H]1C[C@@H](c2ccccc2Cl)Nc2ncnn21 ZINC000000532476 564021569 /nfs/dbraw/zinc/02/15/69/564021569.db2.gz NGCAJKYLIFVFND-HOTGVXAUSA-N 0 0 340.814 4.086 50 0 EIAARN CCC[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000000535867 564022106 /nfs/dbraw/zinc/02/21/06/564022106.db2.gz IQGKXCIZIPCLSZ-MRXNPFEDSA-N 0 0 327.815 4.488 50 0 EIAARN Cc1cc(C)cc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1 ZINC000000544966 564022666 /nfs/dbraw/zinc/02/26/66/564022666.db2.gz MXVJXKSWZDELIJ-UHFFFAOYSA-N 0 0 347.414 4.255 50 0 EIAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)Oc1ccccc1 ZINC000000545904 564022705 /nfs/dbraw/zinc/02/27/05/564022705.db2.gz KEELHXJSFMNJMO-UHFFFAOYSA-N 0 0 342.326 4.095 50 0 EIAARN CCC[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000000552562 564023007 /nfs/dbraw/zinc/02/30/07/564023007.db2.gz WJYPWBGNQXSGGQ-MRXNPFEDSA-N 0 0 327.815 4.488 50 0 EIAARN O=C(CSCc1ccccc1Br)NC1CCCCC1 ZINC000000566594 564023359 /nfs/dbraw/zinc/02/33/59/564023359.db2.gz IUFINUQBJCMJAI-UHFFFAOYSA-N 0 0 342.302 4.131 50 0 EIAARN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000577229 564024188 /nfs/dbraw/zinc/02/41/88/564024188.db2.gz LKBSQKKUKVJKRE-UHFFFAOYSA-N 0 0 337.444 4.391 50 0 EIAARN Cc1sc2ncnc(Sc3ccc4c(c3)OCCO4)c2c1C ZINC000006509401 564025286 /nfs/dbraw/zinc/02/52/86/564025286.db2.gz JIISMVIMLDTLDP-UHFFFAOYSA-N 0 0 330.434 4.231 50 0 EIAARN CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(OC)cc1 ZINC000024595415 564025365 /nfs/dbraw/zinc/02/53/65/564025365.db2.gz QHZUCDXZXTWNQQ-DNVCBOLYSA-N 0 0 327.424 4.038 50 0 EIAARN COc1cc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc(OC)c1OC ZINC000046837479 564025394 /nfs/dbraw/zinc/02/53/94/564025394.db2.gz IELUDRUIIFMJST-SNVBAGLBSA-N 0 0 341.860 4.278 50 0 EIAARN COC(=O)c1c(NC2CCCCCC2)onc1-c1ccc(F)cc1 ZINC000046914323 564025548 /nfs/dbraw/zinc/02/55/48/564025548.db2.gz XIDXWWLDAUCYND-UHFFFAOYSA-N 0 0 332.375 4.402 50 0 EIAARN Cc1cc(C)cc(C(=O)Nc2ccccc2NC(=O)NC(C)C)c1 ZINC000047375326 564026198 /nfs/dbraw/zinc/02/61/98/564026198.db2.gz GOFXDDWXMVQNJN-UHFFFAOYSA-N 0 0 325.412 4.086 50 0 EIAARN CCN(C(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1ccc(F)cc1 ZINC000047388706 564026223 /nfs/dbraw/zinc/02/62/23/564026223.db2.gz DCTYVCWGZTYGBE-CYBMUJFWSA-N 0 0 343.402 4.399 50 0 EIAARN Cc1cc(NC(=O)[C@H](Sc2nc(C)c(C)o2)c2ccccc2)no1 ZINC000047558915 564026449 /nfs/dbraw/zinc/02/64/49/564026449.db2.gz PUKKXDSLKUZIRG-OAHLLOKOSA-N 0 0 343.408 4.060 50 0 EIAARN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cccnc1 ZINC000107162733 564026836 /nfs/dbraw/zinc/02/68/36/564026836.db2.gz VOTASDDYWYIKTC-UHFFFAOYSA-N 0 0 334.423 4.126 50 0 EIAARN COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1OC ZINC000044816096 564027154 /nfs/dbraw/zinc/02/71/54/564027154.db2.gz NMCPXHILOVVYAY-VXGBXAGGSA-N 0 0 331.334 4.011 50 0 EIAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1Cl ZINC000044837816 564027307 /nfs/dbraw/zinc/02/73/07/564027307.db2.gz ZNVAJKKKWTVUKU-UHFFFAOYSA-N 0 0 341.798 4.299 50 0 EIAARN CSc1ccc(-c2ccc(=O)n(C/C=C/c3ccccc3)n2)cc1 ZINC000044917713 564027717 /nfs/dbraw/zinc/02/77/17/564027717.db2.gz YFWDHNDPVBLPKM-VMPITWQZSA-N 0 0 334.444 4.346 50 0 EIAARN CC(C)(C)c1ccc(O)c(NC(=O)c2c(Cl)nc3ccccn32)c1 ZINC000045010777 564027995 /nfs/dbraw/zinc/02/79/95/564027995.db2.gz VYLTWFHZPFGWGI-UHFFFAOYSA-N 0 0 343.814 4.243 50 0 EIAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045152851 564028180 /nfs/dbraw/zinc/02/81/80/564028180.db2.gz GPITZVHPGGJQNJ-GOSISDBHSA-N 0 0 329.827 4.255 50 0 EIAARN CCN(Cc1ccco1)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000045380935 564028424 /nfs/dbraw/zinc/02/84/24/564028424.db2.gz IVDDWLPCTCJLBB-UHFFFAOYSA-N 0 0 347.212 4.186 50 0 EIAARN CC(C)(C)c1nc(CN2CCC[C@@H]2c2nc3ccccc3s2)no1 ZINC000045810714 564028682 /nfs/dbraw/zinc/02/86/82/564028682.db2.gz FZAQRWZOTGSNKY-CYBMUJFWSA-N 0 0 342.468 4.314 50 0 EIAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)NC1CCCC1 ZINC000045943193 564028997 /nfs/dbraw/zinc/02/89/97/564028997.db2.gz LLWNJPRIVYMKEO-UHFFFAOYSA-N 0 0 336.844 4.146 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)c(C)c1 ZINC000046018268 564029260 /nfs/dbraw/zinc/02/92/60/564029260.db2.gz DEHDQDVHJYSHIQ-SFHVURJKSA-N 0 0 347.455 4.277 50 0 EIAARN COCCn1c(C)c(C)nc1SCc1ccc(F)cc1Cl ZINC000046028913 564029343 /nfs/dbraw/zinc/02/93/43/564029343.db2.gz HVHQWYCSGZMZML-UHFFFAOYSA-N 0 0 328.840 4.231 50 0 EIAARN CC[C@](C)(Nc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000046078170 564029466 /nfs/dbraw/zinc/02/94/66/564029466.db2.gz CCMOLWOZSKYRLL-KRWDZBQOSA-N 0 0 327.819 4.053 50 0 EIAARN O=C(Nc1ccc(N2CCCC2)nc1)N1CCC[C@H]1c1cccs1 ZINC000048085053 564029966 /nfs/dbraw/zinc/02/99/66/564029966.db2.gz VSTTVJUZWNURTQ-HNNXBMFYSA-N 0 0 342.468 4.112 50 0 EIAARN COc1ccc(CCC(=O)Nc2cccc(-c3cnco3)c2)cc1F ZINC000048205288 564030070 /nfs/dbraw/zinc/03/00/70/564030070.db2.gz CVGJHHCYSGOXDN-UHFFFAOYSA-N 0 0 340.354 4.061 50 0 EIAARN CCCOc1cc(C)ccc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000048290805 564030566 /nfs/dbraw/zinc/03/05/66/564030566.db2.gz WNKOBEJNKRZOII-UHFFFAOYSA-N 0 0 335.407 4.222 50 0 EIAARN CCOC(=O)c1cc2cc(NC(=O)OCC(F)(F)F)ccc2s1 ZINC000048326078 564031003 /nfs/dbraw/zinc/03/10/03/564031003.db2.gz OHAMEARLIIVVLM-UHFFFAOYSA-N 0 0 347.314 4.189 50 0 EIAARN COc1cc([C@@H](C)NC(=O)C2CCCC2)ccc1OC1CCCC1 ZINC000048332548 564031098 /nfs/dbraw/zinc/03/10/98/564031098.db2.gz WRAVHEROAPGYQC-CQSZACIVSA-N 0 0 331.456 4.384 50 0 EIAARN O=C(NCC1(c2ccccc2)CCCCC1)c1ccc[nH]c1=S ZINC000048342788 564031236 /nfs/dbraw/zinc/03/12/36/564031236.db2.gz BQCLENMTLRCXPW-UHFFFAOYSA-N 0 0 326.465 4.002 50 0 EIAARN COC(=O)c1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000048344198 564031282 /nfs/dbraw/zinc/03/12/82/564031282.db2.gz WWVYPDHCONDYNJ-GFCCVEGCSA-N 0 0 338.363 4.102 50 0 EIAARN CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1c[nH]c2ccccc12 ZINC000048463847 564031880 /nfs/dbraw/zinc/03/18/80/564031880.db2.gz CCELYGPUOJLGKQ-HNNXBMFYSA-N 0 0 336.435 4.375 50 0 EIAARN O=C(Nc1cccnc1)Nc1ccc(Br)cc1Cl ZINC000000610792 564031901 /nfs/dbraw/zinc/03/19/01/564031901.db2.gz CLEPOBYKPOEYGC-UHFFFAOYSA-N 0 0 326.581 4.142 50 0 EIAARN CCCCCOc1ccc([C@@H](C)NC(=O)c2cccnc2)cc1OC ZINC000048521147 564031943 /nfs/dbraw/zinc/03/19/43/564031943.db2.gz SITVMXGGGQOOJX-OAHLLOKOSA-N 0 0 342.439 4.150 50 0 EIAARN O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1cc(F)ccc1Cl ZINC000113047817 564032569 /nfs/dbraw/zinc/03/25/69/564032569.db2.gz XFKYQQZRKBNOGF-UHFFFAOYSA-N 0 0 348.736 4.454 50 0 EIAARN CC(=O)Nc1ccc(NC(=O)Nc2ccc(COC(C)C)cc2)cc1 ZINC000113554260 564032843 /nfs/dbraw/zinc/03/28/43/564032843.db2.gz VXBHDZAJEFQGIJ-UHFFFAOYSA-N 0 0 341.411 4.214 50 0 EIAARN C/C=C/C=C/C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000005702926 564032953 /nfs/dbraw/zinc/03/29/53/564032953.db2.gz QFNFOAIFGOUKCR-BSWSSELBSA-N 0 0 326.392 4.400 50 0 EIAARN C[C@H](Oc1ccc(Br)cc1)c1nc(-c2ccccn2)no1 ZINC000000621114 564033195 /nfs/dbraw/zinc/03/31/95/564033195.db2.gz IFQUYKDSGSTZPI-JTQLQIEISA-N 0 0 346.184 4.034 50 0 EIAARN Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000024669761 564033273 /nfs/dbraw/zinc/03/32/73/564033273.db2.gz PLVHSJGYLQVJSQ-UHFFFAOYSA-N 0 0 348.431 4.176 50 0 EIAARN O=C(NC1CC1)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000007085909 564034079 /nfs/dbraw/zinc/03/40/79/564034079.db2.gz LNHANBUWBDPOGR-MRXNPFEDSA-N 0 0 336.218 4.392 50 0 EIAARN CCn1c2ccccc2nc1SCc1nnc(-c2ccccc2)o1 ZINC000007153801 564034134 /nfs/dbraw/zinc/03/41/34/564034134.db2.gz IWNFSRNCKSKNSF-UHFFFAOYSA-N 0 0 336.420 4.399 50 0 EIAARN CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2C)c(C)n1 ZINC000008071808 564034648 /nfs/dbraw/zinc/03/46/48/564034648.db2.gz SMLXRQQTORLUCS-UHFFFAOYSA-N 0 0 349.887 4.348 50 0 EIAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1cc(C2CC2)on1 ZINC000390827221 564034679 /nfs/dbraw/zinc/03/46/79/564034679.db2.gz VBWFTDLFFOMNKK-OAHLLOKOSA-N 0 0 330.434 4.194 50 0 EIAARN CC(C)[C@H](NC(=O)/C=C/c1cccs1)c1ccc2c(c1)OCCO2 ZINC000008124788 564034725 /nfs/dbraw/zinc/03/47/25/564034725.db2.gz HVZPQGWXXUSSKI-FNQPIQQGSA-N 0 0 343.448 4.046 50 0 EIAARN Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)c(C)n1C1CC1 ZINC000008156919 564034839 /nfs/dbraw/zinc/03/48/39/564034839.db2.gz FLLZPPRSNLHFRI-UHFFFAOYSA-N 0 0 339.464 4.322 50 0 EIAARN COc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1OC ZINC000000818056 564035006 /nfs/dbraw/zinc/03/50/06/564035006.db2.gz IAJFNCNVJVKECD-OAQYLSRUSA-N 0 0 349.434 4.465 50 0 EIAARN CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 ZINC000008279008 564035095 /nfs/dbraw/zinc/03/50/95/564035095.db2.gz XHGKVKXUQZNMGL-UHFFFAOYSA-N 0 0 334.375 4.339 50 0 EIAARN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccc(F)cc1 ZINC000000818493 564035146 /nfs/dbraw/zinc/03/51/46/564035146.db2.gz TURSVSDJYMTVRJ-UHFFFAOYSA-N 0 0 336.366 4.012 50 0 EIAARN COc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1OC ZINC000000818108 564035284 /nfs/dbraw/zinc/03/52/84/564035284.db2.gz SCVVMLNKRDQMPW-FQEVSTJZSA-N 0 0 335.407 4.157 50 0 EIAARN CC(C)(C)OC(=O)Nc1c(OC(F)(F)F)cccc1[Si](C)(C)C ZINC000219784610 564035423 /nfs/dbraw/zinc/03/54/23/564035423.db2.gz LKJVIXXTDPYKAH-UHFFFAOYSA-N 0 0 349.425 4.477 50 0 EIAARN Cc1ccc(C(=O)C(=O)N(C)c2nc3cc(Cl)ccc3s2)cc1 ZINC000225509479 564047418 /nfs/dbraw/zinc/04/74/18/564047418.db2.gz HPRSZLIRZPNDLB-UHFFFAOYSA-N 0 0 344.823 4.104 50 0 EIAARN Fc1ccc(N2CC[C@@H](CNc3ncc(Cl)cc3Cl)C2)cc1 ZINC000225516366 564047489 /nfs/dbraw/zinc/04/74/89/564047489.db2.gz JVHLJRUHEGNUEU-NSHDSACASA-N 0 0 340.229 4.466 50 0 EIAARN CC(C)c1nc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cs1 ZINC000225533778 564047603 /nfs/dbraw/zinc/04/76/03/564047603.db2.gz JUHYHHPWVALPGM-UHFFFAOYSA-N 0 0 349.481 4.130 50 0 EIAARN CC(C)[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccs1 ZINC000029189880 564047756 /nfs/dbraw/zinc/04/77/56/564047756.db2.gz NSSVHGLBYYNARI-MRXNPFEDSA-N 0 0 347.871 4.125 50 0 EIAARN COc1ccc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)cc1 ZINC000225602331 564048269 /nfs/dbraw/zinc/04/82/69/564048269.db2.gz FXWFJCVLPKJCIH-UHFFFAOYSA-N 0 0 347.817 4.450 50 0 EIAARN CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000225690345 564049408 /nfs/dbraw/zinc/04/94/08/564049408.db2.gz CXOOGOJXUAEVCE-DZGCQCFKSA-N 0 0 325.399 4.477 50 0 EIAARN Cc1ccc(OCCCC(=O)NC[C@H]2CCCC(F)(F)C2)cc1 ZINC000225707483 564049609 /nfs/dbraw/zinc/04/96/09/564049609.db2.gz VQQLTYGLDCXIBB-HNNXBMFYSA-N 0 0 325.399 4.096 50 0 EIAARN Cc1ccc(-c2nc3scnn3c2NC(=O)c2ccccc2)cc1 ZINC000238937007 564051521 /nfs/dbraw/zinc/05/15/21/564051521.db2.gz SSLOEKNUZNJPAS-UHFFFAOYSA-N 0 0 334.404 4.019 50 0 EIAARN CC(C)n1cnc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000239359629 564051599 /nfs/dbraw/zinc/05/15/99/564051599.db2.gz AEYHFBVEKKLRBG-OAHLLOKOSA-N 0 0 329.419 4.013 50 0 EIAARN CCc1noc(C)c1NC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000241231097 564051891 /nfs/dbraw/zinc/05/18/91/564051891.db2.gz KRYWCFUSXMJTIP-LBPRGKRZSA-N 0 0 349.381 4.235 50 0 EIAARN COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)o1 ZINC000241171028 564051914 /nfs/dbraw/zinc/05/19/14/564051914.db2.gz KDRKSZNCOAVDBT-RCCFBDPRSA-N 0 0 343.398 4.032 50 0 EIAARN O=C(C[C@@H]1CCCN1C(=O)c1ccoc1C1CC1)c1cccs1 ZINC000241588009 564052037 /nfs/dbraw/zinc/05/20/37/564052037.db2.gz OYWVWUUBWIJPSF-ZDUSSCGKSA-N 0 0 329.421 4.096 50 0 EIAARN Cc1nc([C@@H](C)Sc2nc3c(n2-c2ccccc2)CCCC3)no1 ZINC000241644748 564052069 /nfs/dbraw/zinc/05/20/69/564052069.db2.gz PTBPVIHBOVAWNT-GFCCVEGCSA-N 0 0 340.452 4.296 50 0 EIAARN CC[C@H](C(=O)NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000225608401 564052644 /nfs/dbraw/zinc/05/26/44/564052644.db2.gz ZAKHOAQFWKPTTC-ZWKOTPCHSA-N 0 0 331.843 4.074 50 0 EIAARN Cc1cc(=O)oc2cc(OC(=O)CCCc3cccs3)ccc12 ZINC000015078860 564053307 /nfs/dbraw/zinc/05/33/07/564053307.db2.gz HQPLDMCGPSIPEE-UHFFFAOYSA-N 0 0 328.389 4.091 50 0 EIAARN Cc1ccc(OCC(=O)N2c3ccc(F)cc3CC[C@@H]2C)c(C)c1 ZINC000000997554 564053901 /nfs/dbraw/zinc/05/39/01/564053901.db2.gz PYYAWGIWWYJBNR-HNNXBMFYSA-N 0 0 327.399 4.189 50 0 EIAARN O=C(NCc1ccccc1)c1ccc(COc2ccccc2Cl)o1 ZINC000001012069 564054105 /nfs/dbraw/zinc/05/41/05/564054105.db2.gz YLIOOIWDMCBDAF-UHFFFAOYSA-N 0 0 341.794 4.442 50 0 EIAARN COc1cc(F)ccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000025309713 564054119 /nfs/dbraw/zinc/05/41/19/564054119.db2.gz VVPIIVWOZGZAOC-UHFFFAOYSA-N 0 0 326.371 4.277 50 0 EIAARN c1nc2sc3c(c2c(Nc2ccc4c(c2)OCCO4)n1)CCCC3 ZINC000001106298 564054468 /nfs/dbraw/zinc/05/44/68/564054468.db2.gz BIUCQDPYXQWFPZ-UHFFFAOYSA-N 0 0 339.420 4.085 50 0 EIAARN C[C@]12CCC[C@@H]1[C@@H]1C(=O)C[C@H]3CC4(CC[C@]3(C)[C@@H]1CC2)OCCO4 ZINC000257345867 564055861 /nfs/dbraw/zinc/05/58/61/564055861.db2.gz LXOGEYSXRYPSCR-ANOHPKFUSA-N 0 0 332.484 4.341 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346360 564055893 /nfs/dbraw/zinc/05/58/93/564055893.db2.gz YSBQFDHILMUWPK-BRLQAUDHSA-N 0 0 332.484 4.387 50 0 EIAARN Cc1ccc(-c2nnc(-c3ccccc3F)nc2N2CCCC2)cc1 ZINC000005814788 564056032 /nfs/dbraw/zinc/05/60/32/564056032.db2.gz KGQNDHFMNXIOOQ-UHFFFAOYSA-N 0 0 334.398 4.253 50 0 EIAARN CN(C(=O)c1cnn(CCC(F)(F)F)c1)c1cccc2ccccc21 ZINC000182378346 564056356 /nfs/dbraw/zinc/05/63/56/564056356.db2.gz PVMNIZZKJSVWAN-UHFFFAOYSA-N 0 0 347.340 4.265 50 0 EIAARN O=C(COc1cccc2cccnc21)Nc1ccc(F)c(Cl)c1 ZINC000005847323 564056607 /nfs/dbraw/zinc/05/66/07/564056607.db2.gz FEIDMWDXINLLAO-UHFFFAOYSA-N 0 0 330.746 4.045 50 0 EIAARN COc1cccc(CSc2nnc(-c3ccccc3C)n2C)c1 ZINC000005859971 564056678 /nfs/dbraw/zinc/05/66/78/564056678.db2.gz HQCWPZRQOFHWDE-UHFFFAOYSA-N 0 0 325.437 4.091 50 0 EIAARN O=C(NCc1cccc2cccnc21)N1CCC[C@H]1Cc1ccccc1 ZINC000063323037 564057084 /nfs/dbraw/zinc/05/70/84/564057084.db2.gz MDMCJZUSULPBRO-FQEVSTJZSA-N 0 0 345.446 4.152 50 0 EIAARN Cc1ccnn1-c1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cc1 ZINC000063338408 564057186 /nfs/dbraw/zinc/05/71/86/564057186.db2.gz PFSLSRYNRBVMEQ-UHFFFAOYSA-N 0 0 349.409 4.129 50 0 EIAARN Cc1ncc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)s1 ZINC000063452946 564057534 /nfs/dbraw/zinc/05/75/34/564057534.db2.gz SGXXUTUKQKKCOO-UHFFFAOYSA-N 0 0 343.477 4.081 50 0 EIAARN Cc1cccnc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000063535781 564057774 /nfs/dbraw/zinc/05/77/74/564057774.db2.gz JNIOCFRYCNSKIW-UHFFFAOYSA-N 0 0 343.430 4.205 50 0 EIAARN COCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001807493 564057813 /nfs/dbraw/zinc/05/78/13/564057813.db2.gz FGBPEHLHKHXEBA-UHFFFAOYSA-N 0 0 327.815 4.399 50 0 EIAARN Cc1cc(S[C@H](C(=O)NC(C)C)c2ccccc2)nc(C(C)C)n1 ZINC000031654354 564057879 /nfs/dbraw/zinc/05/78/79/564057879.db2.gz VQUNLAYMZJLJAV-KRWDZBQOSA-N 0 0 343.496 4.266 50 0 EIAARN C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1nccs1 ZINC000086509025 564058260 /nfs/dbraw/zinc/05/82/60/564058260.db2.gz KFZGNWRZNDFOBI-MNOVXSKESA-N 0 0 325.275 4.187 50 0 EIAARN COc1ccc(C(=O)CNc2ccc3nc(SC)sc3c2)cc1 ZINC000003261730 564058781 /nfs/dbraw/zinc/05/87/81/564058781.db2.gz CPMFGANAYNPAHI-UHFFFAOYSA-N 0 0 344.461 4.322 50 0 EIAARN O=C(CCC(=O)c1cccs1)Nc1ccccc1N1CCCCC1 ZINC000003312199 564059200 /nfs/dbraw/zinc/05/92/00/564059200.db2.gz ITVNOCROJUMOSW-UHFFFAOYSA-N 0 0 342.464 4.340 50 0 EIAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(F)cc1 ZINC000012560201 564059505 /nfs/dbraw/zinc/05/95/05/564059505.db2.gz XNPNYTOXIYHMNH-UHFFFAOYSA-N 0 0 349.287 4.283 50 0 EIAARN Cc1ccc2c(cccc2NC(=O)c2ccc(Cn3ccnc3)cc2)n1 ZINC000044225116 564059780 /nfs/dbraw/zinc/05/97/80/564059780.db2.gz HTPGOITWKGMXNZ-UHFFFAOYSA-N 0 0 342.402 4.040 50 0 EIAARN COc1ccc2oc(C(=O)Nc3ccc(OC)c(OC)c3)c(C)c2c1 ZINC000003517088 564059919 /nfs/dbraw/zinc/05/99/19/564059919.db2.gz WEBGZEUFZCDDHM-UHFFFAOYSA-N 0 0 341.363 4.019 50 0 EIAARN CCCn1ccnc1SCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000012578197 564060002 /nfs/dbraw/zinc/06/00/02/564060002.db2.gz IWYJFAKWUNEKDO-UHFFFAOYSA-N 0 0 328.437 4.309 50 0 EIAARN Cc1cccc(Nc2ccccc2C(=O)NCc2ccccn2)c1C ZINC000012597895 564060313 /nfs/dbraw/zinc/06/03/13/564060313.db2.gz BLJOEZIKSIIXBP-UHFFFAOYSA-N 0 0 331.419 4.372 50 0 EIAARN Cc1ccccc1N1C(=O)C(=Cc2cccc3ccccc23)NC1=S ZINC000015282464 564060373 /nfs/dbraw/zinc/06/03/73/564060373.db2.gz PVSJSSHTPYFRLP-QGOAFFKASA-N 0 0 344.439 4.410 50 0 EIAARN FC(F)(F)c1nc2n(n1)[C@H](c1ccccc1)CC(c1cccs1)=N2 ZINC000012601190 564060415 /nfs/dbraw/zinc/06/04/15/564060415.db2.gz BYAGOQWSANJGDT-LBPRGKRZSA-N 0 0 348.353 4.414 50 0 EIAARN CCc1nnc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000073626779 564060856 /nfs/dbraw/zinc/06/08/56/564060856.db2.gz YXALHEMTBNOIDV-UHFFFAOYSA-N 0 0 339.239 4.282 50 0 EIAARN CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004025648 564061106 /nfs/dbraw/zinc/06/11/06/564061106.db2.gz LGGHTNIMFTVTOB-TZNDBTHQSA-N 0 0 345.527 4.061 50 0 biogenic EIAARN Cc1[nH]nc(C2CC2)c1-c1ccc(C(=O)N(C)Cc2ccoc2)cc1 ZINC000534635550 564061328 /nfs/dbraw/zinc/06/13/28/564061328.db2.gz BESLJERCPZQDLD-UHFFFAOYSA-N 0 0 335.407 4.128 50 0 EIAARN CCOc1ccc([C@H](CC)NC(=O)N(C)Cc2ccnc(C)c2)cc1 ZINC000534653026 564061402 /nfs/dbraw/zinc/06/14/02/564061402.db2.gz VOUOLYRBQMILAK-IBGZPJMESA-N 0 0 341.455 4.081 50 0 EIAARN CCn1nc(C)c(-c2ccc(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)cc2)c1C ZINC000534653055 564061405 /nfs/dbraw/zinc/06/14/05/564061405.db2.gz BSDGOYNDQYFUNH-BGYRXZFFSA-N 0 0 349.478 4.225 50 0 EIAARN C[C@H](O)c1cccc(-c2cccc(C(=O)N3CCCCCCC3)c2)n1 ZINC000534651055 564061417 /nfs/dbraw/zinc/06/14/17/564061417.db2.gz IRVRVZNNHWBBQV-INIZCTEOSA-N 0 0 338.451 4.208 50 0 EIAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccccc2)sc2c1CCC2 ZINC000015356974 564061666 /nfs/dbraw/zinc/06/16/66/564061666.db2.gz UHZUTZAYEOUVEA-QXMHVHEDSA-N 0 0 341.432 4.065 50 0 EIAARN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C(C)C)C2CCOCC2)cc1 ZINC000078182758 564061877 /nfs/dbraw/zinc/06/18/77/564061877.db2.gz YNVVKLXVRRYOMU-PMACEKPBSA-N 0 0 329.484 4.330 50 0 EIAARN CCn1c(SCc2nc(C)cs2)nnc1-c1ccc(OC)cc1 ZINC000086987547 564062084 /nfs/dbraw/zinc/06/20/84/564062084.db2.gz HNCINDBWGLBHKJ-UHFFFAOYSA-N 0 0 346.481 4.031 50 0 EIAARN Cc1ccc(NC(=O)c2ccccc2Cl)cc1N1CCCCC1=O ZINC000005441736 564062463 /nfs/dbraw/zinc/06/24/63/564062463.db2.gz MAJJMEIYMTUCFH-UHFFFAOYSA-N 0 0 342.826 4.418 50 0 EIAARN Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000001267328 564062791 /nfs/dbraw/zinc/06/27/91/564062791.db2.gz AGLPRVGVEUPNRL-UHFFFAOYSA-N 0 0 330.384 4.070 50 0 EIAARN COc1ccc(OC)c(CN(C(=O)c2cc(C)ccc2C)C2CC2)c1 ZINC000025804214 564063359 /nfs/dbraw/zinc/06/33/59/564063359.db2.gz RDBWFFFGYNGUCD-UHFFFAOYSA-N 0 0 339.435 4.125 50 0 EIAARN FC(F)n1ccnc1CSCc1cc(-c2cccs2)on1 ZINC000083632048 564063423 /nfs/dbraw/zinc/06/34/23/564063423.db2.gz SWBZDJSFGUJGAC-UHFFFAOYSA-N 0 0 327.381 4.428 50 0 EIAARN CN(C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1CCCCCC1 ZINC000083855629 564063877 /nfs/dbraw/zinc/06/38/77/564063877.db2.gz VRYUQGGFWFTTOS-RBUKOAKNSA-N 0 0 348.462 4.410 50 0 EIAARN Cc1nc2c(cccc2-c2noc([C@H](C)CCOc3ccccc3)n2)[nH]1 ZINC000559981446 564064028 /nfs/dbraw/zinc/06/40/28/564064028.db2.gz MMZYYXMVTZZXJG-CYBMUJFWSA-N 0 0 348.406 4.494 50 0 EIAARN COc1ccncc1NC(=O)c1ccccc1N(C)c1ccccc1 ZINC000083869649 564064113 /nfs/dbraw/zinc/06/41/13/564064113.db2.gz FFGXGXVHJTXVFG-UHFFFAOYSA-N 0 0 333.391 4.110 50 0 EIAARN CN(Cn1ncsc1=S)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012733893 564064418 /nfs/dbraw/zinc/06/44/18/564064418.db2.gz PIPBOSMLJHHXLS-INIZCTEOSA-N 0 0 345.468 4.492 50 0 EIAARN Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000001397303 564064760 /nfs/dbraw/zinc/06/47/60/564064760.db2.gz VRNDFQOIWWEFAL-UHFFFAOYSA-N 0 0 329.812 4.419 50 0 EIAARN CSc1nnc(-c2sccc2OCc2ccc(C)cc2)n1C ZINC000001395875 564064860 /nfs/dbraw/zinc/06/48/60/564064860.db2.gz HVACUGYQMUTBDJ-UHFFFAOYSA-N 0 0 331.466 4.153 50 0 EIAARN CSc1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1 ZINC000001395676 564064887 /nfs/dbraw/zinc/06/48/87/564064887.db2.gz ZRSNXHIQTYMUPX-UHFFFAOYSA-N 0 0 334.404 4.306 50 0 EIAARN FC(F)(F)c1cccc(Cn2nnnc2-c2cccc(Cl)c2)c1 ZINC000001405232 564065133 /nfs/dbraw/zinc/06/51/33/564065133.db2.gz MXKHIAKVSGHEPX-UHFFFAOYSA-N 0 0 338.720 4.061 50 0 EIAARN Cc1c(C[S@](C)=O)cccc1NC(=O)c1csc2ccccc12 ZINC000116691463 564065468 /nfs/dbraw/zinc/06/54/68/564065468.db2.gz ONCXDHSGGPKXIN-HSZRJFAPSA-N 0 0 343.473 4.341 50 0 EIAARN CN(C)c1ccc(C(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000012747886 564065962 /nfs/dbraw/zinc/06/59/62/564065962.db2.gz IQWCYWMBSMDYBP-IBGZPJMESA-N 0 0 336.460 4.334 50 0 EIAARN Cc1ccc(NC(=O)c2ccc(Br)cn2)cc1Cl ZINC000061872848 564066045 /nfs/dbraw/zinc/06/60/45/564066045.db2.gz UNDYRGMQUUKKQY-UHFFFAOYSA-N 0 0 325.593 4.058 50 0 EIAARN Cc1noc2nc(C)cc(C(=O)N[C@@H](CC(C)C)c3cccs3)c12 ZINC000084083192 564066265 /nfs/dbraw/zinc/06/62/65/564066265.db2.gz NYHMPNMDLPKEHC-AWEZNQCLSA-N 0 0 343.452 4.418 50 0 EIAARN Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3Cl)sc2n1 ZINC000001420998 564066551 /nfs/dbraw/zinc/06/65/51/564066551.db2.gz GNKACMYKPCYTCX-UHFFFAOYSA-N 0 0 345.855 4.079 50 0 EIAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=S)NCc1cccs1 ZINC000084129156 564066845 /nfs/dbraw/zinc/06/68/45/564066845.db2.gz OANJCNLKCXOEIU-CQSZACIVSA-N 0 0 334.510 4.327 50 0 EIAARN CC(C)CCC[C@H](C)NC(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000002781640 564066864 /nfs/dbraw/zinc/06/68/64/564066864.db2.gz WLBOIEROULCXTD-VIFPVBQESA-N 0 0 339.789 4.037 50 0 EIAARN Cc1nc2c(c(NC(=O)c3ccccc3Cl)nn2C)c(C)c1Cl ZINC000001430832 564066938 /nfs/dbraw/zinc/06/69/38/564066938.db2.gz SMCFRNBKMGHYOI-UHFFFAOYSA-N 0 0 349.221 4.144 50 0 EIAARN CC1CCC(NC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000012750520 564066973 /nfs/dbraw/zinc/06/69/73/564066973.db2.gz UTABVFBJMPRHDH-UHFFFAOYSA-N 0 0 342.464 4.309 50 0 EIAARN CC(C)N(C(=O)c1ccco1)c1ccc(-n2nc3ccccc3n2)cc1 ZINC000001431855 564066981 /nfs/dbraw/zinc/06/69/81/564066981.db2.gz DKPMNCYVTVRBFQ-UHFFFAOYSA-N 0 0 346.390 4.069 50 0 EIAARN O=C(NC1CC1)c1cccnc1Sc1cccc(C(F)(F)F)c1 ZINC000012752465 564067121 /nfs/dbraw/zinc/06/71/21/564067121.db2.gz FNMPQNJEKBONJY-UHFFFAOYSA-N 0 0 338.354 4.144 50 0 EIAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3F)n[nH]2)cc1 ZINC000012757118 564067363 /nfs/dbraw/zinc/06/73/63/564067363.db2.gz VXOMIJZIXITSCY-UHFFFAOYSA-N 0 0 329.762 4.430 50 0 EIAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3C3CCCC3)[nH]n2)s1 ZINC000084205719 564067428 /nfs/dbraw/zinc/06/74/28/564067428.db2.gz NTGGBBSJBKFNBK-INIZCTEOSA-N 0 0 329.469 4.241 50 0 EIAARN Cc1cnn(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000084265207 564067515 /nfs/dbraw/zinc/06/75/15/564067515.db2.gz UAGLBGWUQLGLOT-UHFFFAOYSA-N 0 0 346.390 4.029 50 0 EIAARN CC(C)[C@H](Sc1ncc2ccccn21)C(=O)NC1CCCCCC1 ZINC000084409091 564068073 /nfs/dbraw/zinc/06/80/73/564068073.db2.gz MFJAFLBAQCPHJF-KRWDZBQOSA-N 0 0 345.512 4.290 50 0 EIAARN O=C(NCc1ccccc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000084539240 564068618 /nfs/dbraw/zinc/06/86/18/564068618.db2.gz JUZUWVFBJMZOMQ-UHFFFAOYSA-N 0 0 338.407 4.440 50 0 EIAARN c1nn(-c2ccccc2)nc1CSC1=Nc2ccccc2CS1 ZINC000084576812 564068753 /nfs/dbraw/zinc/06/87/53/564068753.db2.gz ZWIITOKTIGCVIF-UHFFFAOYSA-N 0 0 338.461 4.435 50 0 EIAARN O=C(c1c2c(nc3ccccc31)CCC2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000084587822 564068833 /nfs/dbraw/zinc/06/88/33/564068833.db2.gz ZIZZLDDHBNAVJP-GFCCVEGCSA-N 0 0 348.368 4.138 50 0 EIAARN O=C(COC1CCCC1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000084594979 564068913 /nfs/dbraw/zinc/06/89/13/564068913.db2.gz RERIVUODXHOXOR-UHFFFAOYSA-N 0 0 342.420 4.454 50 0 EIAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1nccc2ccccc21 ZINC000084598733 564068967 /nfs/dbraw/zinc/06/89/67/564068967.db2.gz BLICKUGPOHIKNS-UHFFFAOYSA-N 0 0 342.358 4.069 50 0 EIAARN c1ccc2nc(Nc3cccc(COC[C@H]4CCCCO4)c3)cnc2c1 ZINC000084605650 564069027 /nfs/dbraw/zinc/06/90/27/564069027.db2.gz ZYVPWLSHMVUTCK-GOSISDBHSA-N 0 0 349.434 4.459 50 0 EIAARN O=C(NC[C@H]1CC=CCC1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000084605763 564069033 /nfs/dbraw/zinc/06/90/33/564069033.db2.gz JSAUARGHPOJWGC-HNNXBMFYSA-N 0 0 348.446 4.274 50 0 EIAARN FC(F)(F)c1cccc(CNCc2c(Cl)nc3ccccn32)c1 ZINC000084606553 564069059 /nfs/dbraw/zinc/06/90/59/564069059.db2.gz RUNOUHHTYAWMOG-UHFFFAOYSA-N 0 0 339.748 4.296 50 0 EIAARN COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000012774304 564069187 /nfs/dbraw/zinc/06/91/87/564069187.db2.gz VOKZMJXWVIRNJQ-MRXNPFEDSA-N 0 0 349.430 4.413 50 0 EIAARN CCOc1ccccc1OCCCC(=O)Nc1c(F)cccc1F ZINC000012776009 564069373 /nfs/dbraw/zinc/06/93/73/564069373.db2.gz LVZGWOYIINFLLW-UHFFFAOYSA-N 0 0 335.350 4.161 50 0 EIAARN CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)NCc1ccncc1 ZINC000084734647 564069879 /nfs/dbraw/zinc/06/98/79/564069879.db2.gz MGHBMHRCNTYAQI-IBGZPJMESA-N 0 0 325.456 4.401 50 0 EIAARN O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015646805 564069900 /nfs/dbraw/zinc/06/99/00/564069900.db2.gz BQOYEVCRFOUFGW-OAHLLOKOSA-N 0 0 326.396 4.413 50 0 EIAARN CC[C@@H](NC(=O)COc1ccccc1)c1ccc(Br)cc1 ZINC000012786071 564070302 /nfs/dbraw/zinc/07/03/02/564070302.db2.gz HQVKSMFGDYZAKC-MRXNPFEDSA-N 0 0 348.240 4.095 50 0 EIAARN CCOCc1ccccc1NC(=O)N[C@@H]1CCc2c1cccc2OC ZINC000084802792 564070311 /nfs/dbraw/zinc/07/03/11/564070311.db2.gz NHWKFNNRDKIGJX-GOSISDBHSA-N 0 0 340.423 4.041 50 0 EIAARN CCOc1ccc(-c2nnc(SCCOc3ccccc3)o2)cc1 ZINC000015670044 564070452 /nfs/dbraw/zinc/07/04/52/564070452.db2.gz XCHAUEKMUGMNNE-UHFFFAOYSA-N 0 0 342.420 4.306 50 0 EIAARN O=C(Nc1nc(-c2ccccc2)cs1)C(=O)c1c[nH]c2ccccc12 ZINC000015673723 564070491 /nfs/dbraw/zinc/07/04/91/564070491.db2.gz AHHBCLHTQAIXME-UHFFFAOYSA-N 0 0 347.399 4.113 50 0 EIAARN CSc1ncc(C(=O)Nc2ccc(C)cc2)c(-c2ccccc2)n1 ZINC000015681112 564070737 /nfs/dbraw/zinc/07/07/37/564070737.db2.gz DORTWEQNKVXWPM-UHFFFAOYSA-N 0 0 335.432 4.426 50 0 EIAARN COc1ccc(-c2noc(Nc3ccc(C)c(C)c3)n2)cc1OC ZINC000015680999 564070739 /nfs/dbraw/zinc/07/07/39/564070739.db2.gz IAYSNQVKZXGCGJ-UHFFFAOYSA-N 0 0 325.368 4.114 50 0 EIAARN CC(C)c1cnc(CSCc2csc(-c3ncccn3)n2)o1 ZINC000085228474 564072282 /nfs/dbraw/zinc/07/22/82/564072282.db2.gz FZRBGLDUUWGSFJ-UHFFFAOYSA-N 0 0 332.454 4.145 50 0 EIAARN Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1nnc(C2CC2)s1 ZINC000047347567 564072460 /nfs/dbraw/zinc/07/24/60/564072460.db2.gz NRTJVQYWKACBAH-JTQLQIEISA-N 0 0 342.424 4.353 50 0 EIAARN Cc1nc(-c2ccccn2)sc1C(=O)N(C)[C@H](C)c1ccccc1 ZINC000012809733 564072547 /nfs/dbraw/zinc/07/25/47/564072547.db2.gz OOPCQOIFJUDXAX-CQSZACIVSA-N 0 0 337.448 4.347 50 0 EIAARN Cc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1F ZINC000012809598 564072549 /nfs/dbraw/zinc/07/25/49/564072549.db2.gz IVLOEURMULJLSJ-UHFFFAOYSA-N 0 0 341.426 4.325 50 0 EIAARN C[C@@H](CCc1ccco1)NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000012811343 564072817 /nfs/dbraw/zinc/07/28/17/564072817.db2.gz FNVKIRBLSVTIOJ-NSHDSACASA-N 0 0 326.223 4.266 50 0 EIAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC(C)CC3)c2c1 ZINC000001459716 564072976 /nfs/dbraw/zinc/07/29/76/564072976.db2.gz PNHRUNJIZRGQDH-UHFFFAOYSA-N 0 0 345.446 4.477 50 0 EIAARN CC(C)c1ccc(-c2nc(CSc3nncn3C)cs2)cc1 ZINC000006063626 564073330 /nfs/dbraw/zinc/07/33/30/564073330.db2.gz ONOJSQMMRCDEGS-UHFFFAOYSA-N 0 0 330.482 4.354 50 0 EIAARN CCO[C@H](C)c1nc(CC(=O)N2CCCc3cccc(C)c32)cs1 ZINC000117126627 564073366 /nfs/dbraw/zinc/07/33/66/564073366.db2.gz NXKQPJFOZNRRBI-CQSZACIVSA-N 0 0 344.480 4.071 50 0 EIAARN CC(C)[C@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000006083553 564073629 /nfs/dbraw/zinc/07/36/29/564073629.db2.gz LXFDGPTYBJLMPS-NSHDSACASA-N 0 0 338.473 4.202 50 0 EIAARN O=C(C[C@H](c1cccc(F)c1)n1cccc1)Nc1ccccc1F ZINC000015771189 564073714 /nfs/dbraw/zinc/07/37/14/564073714.db2.gz FZDMUUBWTHDCNN-GOSISDBHSA-N 0 0 326.346 4.385 50 0 EIAARN Cc1c(C[NH2+]C(C)(C)C)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000015776943 564073867 /nfs/dbraw/zinc/07/38/67/564073867.db2.gz DCEAKCKNYYXXFF-UHFFFAOYSA-N 0 0 348.874 4.393 50 0 EIAARN O=C(NCCCn1ccnc1-c1ccccc1)c1ccccc1Cl ZINC000085555027 564073897 /nfs/dbraw/zinc/07/38/97/564073897.db2.gz WCMRMNBUDFBMHP-UHFFFAOYSA-N 0 0 339.826 4.024 50 0 EIAARN Cc1ccccc1NC(=O)N1CCC(CSc2ccccn2)CC1 ZINC000085557676 564073948 /nfs/dbraw/zinc/07/39/48/564073948.db2.gz LPQNZFLXKNFOBW-UHFFFAOYSA-N 0 0 341.480 4.426 50 0 EIAARN CN(CCc1ccc(F)cc1)C(=S)Nc1ccc2c(c1)CCC2 ZINC000063671899 564074073 /nfs/dbraw/zinc/07/40/73/564074073.db2.gz HKVPKXSPDREZMD-UHFFFAOYSA-N 0 0 328.456 4.186 50 0 EIAARN CSc1cccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 ZINC000012822391 564074654 /nfs/dbraw/zinc/07/46/54/564074654.db2.gz TVSRHNXDUBATCC-UHFFFAOYSA-N 0 0 340.452 4.295 50 0 EIAARN CCOc1ccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000000364209 564074956 /nfs/dbraw/zinc/07/49/56/564074956.db2.gz YBPZJMXRUBTMQV-UHFFFAOYSA-N 0 0 335.787 4.008 50 0 EIAARN Cc1nc(CNc2ccccc2NC(=O)Cc2cccs2)cs1 ZINC000086206988 564075356 /nfs/dbraw/zinc/07/53/56/564075356.db2.gz BRZAXOYMGHEVNY-UHFFFAOYSA-N 0 0 343.477 4.306 50 0 EIAARN Cc1cnc(CNC(=O)N([C@H](C)c2ccccc2F)C2CC2)s1 ZINC000086424939 564075642 /nfs/dbraw/zinc/07/56/42/564075642.db2.gz BLMSKNKXUSUJRF-GFCCVEGCSA-N 0 0 333.432 4.026 50 0 EIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1F ZINC000012864629 564075788 /nfs/dbraw/zinc/07/57/88/564075788.db2.gz FRGFPAUSDMLKAN-UHFFFAOYSA-N 0 0 347.187 4.251 50 0 EIAARN Cc1ccc(-c2cc(CC(=O)N3CCCc4ccccc43)no2)cc1 ZINC000012862712 564075813 /nfs/dbraw/zinc/07/58/13/564075813.db2.gz MBIPDIHSZMVXIL-UHFFFAOYSA-N 0 0 332.403 4.172 50 0 EIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)c1ccc(F)cc1F ZINC000012865980 564075835 /nfs/dbraw/zinc/07/58/35/564075835.db2.gz ZHZWRPNQXHBYQE-UHFFFAOYSA-N 0 0 341.361 4.328 50 0 EIAARN C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(OC(F)F)cc1 ZINC000012869257 564075898 /nfs/dbraw/zinc/07/58/98/564075898.db2.gz YUIMIHARHSOKJU-VIFPVBQESA-N 0 0 327.277 4.057 50 0 EIAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1C ZINC000015836328 564076363 /nfs/dbraw/zinc/07/63/63/564076363.db2.gz OXWSBHUGBVOFCE-OAHLLOKOSA-N 0 0 335.494 4.199 50 0 EIAARN CC(C)c1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000012873407 564076600 /nfs/dbraw/zinc/07/66/00/564076600.db2.gz JTDTUMBFVPETHW-NRFANRHFSA-N 0 0 336.479 4.262 50 0 EIAARN CCn1nc(C=C(C)c2nc(=O)c3ccsc3[nH]2)c2ccccc21 ZINC000545309598 564076808 /nfs/dbraw/zinc/07/68/08/564076808.db2.gz 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/nfs/dbraw/zinc/07/76/47/564077647.db2.gz AXVIPNBAXHUMCX-UHFFFAOYSA-N 0 0 346.833 4.391 50 0 EIAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000012916816 564078067 /nfs/dbraw/zinc/07/80/67/564078067.db2.gz WMCHPEIGFDYHOG-GOSISDBHSA-N 0 0 344.842 4.124 50 0 EIAARN Cc1ccccc1[C@@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012929802 564078636 /nfs/dbraw/zinc/07/86/36/564078636.db2.gz ONVDWICJBFETDT-MRXNPFEDSA-N 0 0 345.446 4.160 50 0 EIAARN O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@H]1CC1(Cl)Cl ZINC000088262223 564078749 /nfs/dbraw/zinc/07/87/49/564078749.db2.gz PGPWQBRICXVEEX-HUUCEWRRSA-N 0 0 338.209 4.225 50 0 EIAARN CC[C@@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000012935146 564079179 /nfs/dbraw/zinc/07/91/79/564079179.db2.gz MOOTVQREWWKCQT-CYBMUJFWSA-N 0 0 335.403 4.297 50 0 EIAARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000088464302 564079426 /nfs/dbraw/zinc/07/94/26/564079426.db2.gz AJMYAZLURBMLDT-UHFFFAOYSA-N 0 0 335.407 4.262 50 0 EIAARN Cc1cc(C)cc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1 ZINC000012939853 564079446 /nfs/dbraw/zinc/07/94/46/564079446.db2.gz MFROBZKPOKCDOE-QGZVFWFLSA-N 0 0 325.408 4.114 50 0 EIAARN Cc1ccccc1-c1csc(Cc2nc(-c3ccccc3)n[nH]2)n1 ZINC000075093258 564079958 /nfs/dbraw/zinc/07/99/58/564079958.db2.gz ROFCATIZFWSRRO-UHFFFAOYSA-N 0 0 332.432 4.494 50 0 EIAARN COc1cc(C(=O)N(C)c2ccccc2SC)ccc1OC(C)C ZINC000075104436 564079999 /nfs/dbraw/zinc/07/99/99/564079999.db2.gz SWDOFNUEGDUSGQ-UHFFFAOYSA-N 0 0 345.464 4.481 50 0 EIAARN C[C@@H](NC(=O)N(C)Cc1ccncc1)c1csc2ccccc21 ZINC000075133517 564080527 /nfs/dbraw/zinc/08/05/27/564080527.db2.gz DCENLYXDYQIXLE-CYBMUJFWSA-N 0 0 325.437 4.199 50 0 EIAARN COc1ccc(CCC(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC000075157127 564080877 /nfs/dbraw/zinc/08/08/77/564080877.db2.gz KFZCCSPCTXEXBT-UHFFFAOYSA-N 0 0 329.465 4.096 50 0 EIAARN O=C(c1cc(-c2ccco2)on1)N1CCC(c2cccs2)CC1 ZINC000075157033 564080937 /nfs/dbraw/zinc/08/09/37/564080937.db2.gz MEVFALQQWKHQHT-UHFFFAOYSA-N 0 0 328.393 4.016 50 0 EIAARN CC[C@]1(c2ccccc2)O[C@@H](C[C@@H](C)OC(C)=O)Nc2ccccc21 ZINC000075271744 564081345 /nfs/dbraw/zinc/08/13/45/564081345.db2.gz ADADRCVVEIDOTE-GQWLDOHISA-N 0 0 339.435 4.450 50 0 EIAARN Cc1sccc1CC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000346261262 564081751 /nfs/dbraw/zinc/08/17/51/564081751.db2.gz ZAOPONIVUUZLQN-MSOLQXFVSA-N 0 0 347.455 4.117 50 0 EIAARN CCCOc1ccc(NC(=O)c2cn(C)nc2-c2ccoc2)c(C)c1 ZINC000390835296 564082186 /nfs/dbraw/zinc/08/21/86/564082186.db2.gz JQDFKSHFEOYWAJ-UHFFFAOYSA-N 0 0 339.395 4.030 50 0 EIAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1F ZINC000575609543 564082530 /nfs/dbraw/zinc/08/25/30/564082530.db2.gz DGWRHHPGECRVTN-AWEZNQCLSA-N 0 0 347.436 4.079 50 0 EIAARN COc1cc(C)c(NC(=O)CSc2cc(C)ccc2C)cc1OC ZINC000006203958 564082767 /nfs/dbraw/zinc/08/27/67/564082767.db2.gz PXOPVQUTRGKGAQ-UHFFFAOYSA-N 0 0 345.464 4.360 50 0 EIAARN COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)o1 ZINC000162104930 564082928 /nfs/dbraw/zinc/08/29/28/564082928.db2.gz 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CYJHKLCHIALUQC-ZDUSSCGKSA-N 0 0 343.423 4.167 50 0 EIAARN COc1cccc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)c1 ZINC000575619170 564083781 /nfs/dbraw/zinc/08/37/81/564083781.db2.gz IHSXSMCFWFFIFW-UHFFFAOYSA-N 0 0 347.418 4.147 50 0 EIAARN C[C@H](Cc1csc2ccccc12)NC(=O)[C@H](C)Oc1ccccc1 ZINC000575620763 564083877 /nfs/dbraw/zinc/08/38/77/564083877.db2.gz LZOYOSMABYTEKZ-CABCVRRESA-N 0 0 339.460 4.416 50 0 EIAARN CCCCN1C(=O)C(=Cc2cccc(-c3ccccc3)c2)NC1=S ZINC000102387116 564084124 /nfs/dbraw/zinc/08/41/24/564084124.db2.gz ZXJHGXVEVFIGMH-NBVRZTHBSA-N 0 0 336.460 4.211 50 0 EIAARN Cc1nccn1-c1ccc([C@H](C)NCc2nc(C3CC3)cs2)cc1 ZINC000090458965 564084463 /nfs/dbraw/zinc/08/44/63/564084463.db2.gz LLKPSAGNYNQGNE-ZDUSSCGKSA-N 0 0 338.480 4.365 50 0 EIAARN C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000006314026 564084502 /nfs/dbraw/zinc/08/45/02/564084502.db2.gz QQYQSYDJJXCYCJ-AWEZNQCLSA-N 0 0 349.883 4.329 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000075437364 564084751 /nfs/dbraw/zinc/08/47/51/564084751.db2.gz WMNACSPKKKCXRT-UHFFFAOYSA-N 0 0 333.391 4.021 50 0 EIAARN Cc1c2ccccc2oc1-c1nnc(C(=O)NCc2ccc(C)cc2)o1 ZINC000075437446 564084757 /nfs/dbraw/zinc/08/47/57/564084757.db2.gz FIINMNHZKWQFGC-UHFFFAOYSA-N 0 0 347.374 4.030 50 0 EIAARN O=C1[C@H](SC2CCOCC2)CCN1c1ccc(Cl)cc1Cl ZINC000191210807 564084857 /nfs/dbraw/zinc/08/48/57/564084857.db2.gz OJRVNRFIEDUGCT-CQSZACIVSA-N 0 0 346.279 4.011 50 0 EIAARN CC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000006342715 564085146 /nfs/dbraw/zinc/08/51/46/564085146.db2.gz AACVHOOZPLTSDN-UHFFFAOYSA-N 0 0 325.408 4.339 50 0 EIAARN Cc1ccc(CC(=O)Nc2cccc(-c3noc(C4CCC4)n3)c2)cc1 ZINC000035552321 564085270 /nfs/dbraw/zinc/08/52/70/564085270.db2.gz GQWIYNLKMUIQGH-UHFFFAOYSA-N 0 0 347.418 4.494 50 0 EIAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000006372414 564085402 /nfs/dbraw/zinc/08/54/02/564085402.db2.gz FYYHQTODAACELO-QGZVFWFLSA-N 0 0 336.435 4.110 50 0 EIAARN CCc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)cs2)cc1 ZINC000012986455 564085722 /nfs/dbraw/zinc/08/57/22/564085722.db2.gz JNRQQVFDNVICKY-UHFFFAOYSA-N 0 0 347.443 4.131 50 0 EIAARN CCOc1cccc2cc([C@H](C)NC(=O)NCc3ccccc3)oc21 ZINC000012984091 564085762 /nfs/dbraw/zinc/08/57/62/564085762.db2.gz YULUZSWOXSRMSG-AWEZNQCLSA-N 0 0 338.407 4.392 50 0 EIAARN Cc1ccsc1CNC(=O)/C=C/c1ccc(Br)cc1 ZINC000025998555 564085807 /nfs/dbraw/zinc/08/58/07/564085807.db2.gz JZKXKNLPNRYVNB-QPJJXVBHSA-N 0 0 336.254 4.149 50 0 EIAARN CCc1nc2cc(CCC(=O)N[C@@H](C)CCc3ccccc3)ccc2[nH]1 ZINC000075465564 564085994 /nfs/dbraw/zinc/08/59/94/564085994.db2.gz BEWYISASHHXDAF-INIZCTEOSA-N 0 0 349.478 4.195 50 0 EIAARN C[C@@](O)(CNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1 ZINC000075155372 564086174 /nfs/dbraw/zinc/08/61/74/564086174.db2.gz UUKKDJKBYWBSGJ-HXUWFJFHSA-N 0 0 337.444 4.053 50 0 EIAARN Cc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006430086 564086212 /nfs/dbraw/zinc/08/62/12/564086212.db2.gz FBCMUERAPIIQAX-UHFFFAOYSA-N 0 0 341.451 4.083 50 0 EIAARN COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000013012206 564086722 /nfs/dbraw/zinc/08/67/22/564086722.db2.gz DXCSRSIYVWMTJK-UHFFFAOYSA-N 0 0 343.854 4.477 50 0 EIAARN C[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000013019100 564086864 /nfs/dbraw/zinc/08/68/64/564086864.db2.gz STBKBSVQRHNLBI-SGTLLEGYSA-N 0 0 346.833 4.150 50 0 EIAARN CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOc1ccccc1 ZINC000001797106 564087716 /nfs/dbraw/zinc/08/77/16/564087716.db2.gz SGQURWGBDIDGKF-UHFFFAOYSA-N 0 0 339.313 4.122 50 0 EIAARN Cc1nc(-c2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)no1 ZINC000064329657 564087735 /nfs/dbraw/zinc/08/77/35/564087735.db2.gz HBAZUGYIZMWDHU-UHFFFAOYSA-N 0 0 345.761 4.019 50 0 EIAARN CCCCCOc1ccc(/C=C/C(=O)NCc2ccco2)cc1OC ZINC000001799558 564087768 /nfs/dbraw/zinc/08/77/68/564087768.db2.gz RPMGWJAVJCNHBQ-PKNBQFBNSA-N 0 0 343.423 4.187 50 0 biogenic EIAARN Cc1cccc(-c2cncc(C(=O)Nc3ccc4c(c3)COC4)c2)c1 ZINC000091670810 564087778 /nfs/dbraw/zinc/08/77/78/564087778.db2.gz XWKCBUPBYLMYGN-UHFFFAOYSA-N 0 0 330.387 4.340 50 0 EIAARN CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccncc1 ZINC000000525345 564087868 /nfs/dbraw/zinc/08/78/68/564087868.db2.gz QNBVTCVYZQSESI-UHFFFAOYSA-N 0 0 330.844 4.306 50 0 EIAARN Cc1[nH]nc(NC(=O)COc2ccccc2C)c1-c1cccc(C)c1 ZINC000075544467 564088568 /nfs/dbraw/zinc/08/85/68/564088568.db2.gz XXJCHFAWBYRASQ-UHFFFAOYSA-N 0 0 335.407 4.019 50 0 EIAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1F ZINC000006461173 564089208 /nfs/dbraw/zinc/08/92/08/564089208.db2.gz YQOBODBXOKTSAY-UHFFFAOYSA-N 0 0 349.361 4.340 50 0 EIAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1c(C)noc1C ZINC000075572884 564089598 /nfs/dbraw/zinc/08/95/98/564089598.db2.gz QJDRATJTPCMKMV-AZUAARDMSA-N 0 0 340.467 4.409 50 0 EIAARN CC(=O)Nc1nc(CSCc2nc3ccccc3s2)cs1 ZINC000075607253 564089798 /nfs/dbraw/zinc/08/97/98/564089798.db2.gz AALBUDNRCBFUMR-UHFFFAOYSA-N 0 0 335.479 4.145 50 0 EIAARN CCCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000001927068 564090281 /nfs/dbraw/zinc/09/02/81/564090281.db2.gz YLLRREWEXMEGFB-UHFFFAOYSA-N 0 0 341.842 4.420 50 0 EIAARN COc1ccc2c(=O)cc(-c3ccc4c(c3)OCCCCO4)oc2c1 ZINC000000407281 564090539 /nfs/dbraw/zinc/09/05/39/564090539.db2.gz WWNMECDYFROPLH-UHFFFAOYSA-N 0 0 338.359 4.020 50 0 biogenic EIAARN COc1cc(F)ccc1NC(=O)CCn1ccc2cc(Cl)ccc21 ZINC000089426769 564090557 /nfs/dbraw/zinc/09/05/57/564090557.db2.gz JMRWPULLQSELMN-UHFFFAOYSA-N 0 0 346.789 4.471 50 0 EIAARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C ZINC000011592835 564090853 /nfs/dbraw/zinc/09/08/53/564090853.db2.gz IMONTRJLAWHYGT-RBFKZVKLSA-N 0 0 340.463 4.063 50 0 biogenic,in-man EIAARN c1ccc(OCCNc2ncnc3sc4c(c32)CCCCC4)cc1 ZINC000006510176 564091266 /nfs/dbraw/zinc/09/12/66/564091266.db2.gz VBTXFCSSGCNOFE-UHFFFAOYSA-N 0 0 339.464 4.451 50 0 EIAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc1 ZINC000083187903 564091309 /nfs/dbraw/zinc/09/13/09/564091309.db2.gz FCVUJTKQNKDFQF-UHFFFAOYSA-N 0 0 326.783 4.038 50 0 EIAARN c1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)cc1 ZINC000064449903 564091349 /nfs/dbraw/zinc/09/13/49/564091349.db2.gz FCWIQWZZHZORAK-UHFFFAOYSA-N 0 0 341.418 4.414 50 0 EIAARN O=C(NC1CC1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064472681 564091496 /nfs/dbraw/zinc/09/14/96/564091496.db2.gz UESWVFMPKSKDFK-UHFFFAOYSA-N 0 0 326.396 4.237 50 0 EIAARN COC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCC2 ZINC000006546492 564091882 /nfs/dbraw/zinc/09/18/82/564091882.db2.gz LQEPNBVCFUCMEE-UHFFFAOYSA-N 0 0 346.477 4.141 50 0 EIAARN COc1ccc(C)cc1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000007971450 564092088 /nfs/dbraw/zinc/09/20/88/564092088.db2.gz DJNNLQLUIYCBIB-UHFFFAOYSA-N 0 0 332.403 4.293 50 0 EIAARN CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1cccc2ccccc21 ZINC000064567343 564092254 /nfs/dbraw/zinc/09/22/54/564092254.db2.gz HHOSTXTXGHCGEJ-HXUWFJFHSA-N 0 0 334.350 4.218 50 0 EIAARN O=C(CSc1nccn1Cc1ccccc1)c1c[nH]c2ccccc12 ZINC000006589410 564092319 /nfs/dbraw/zinc/09/23/19/564092319.db2.gz SJPATTTTWDOSCQ-UHFFFAOYSA-N 0 0 347.443 4.388 50 0 EIAARN O=C(CSC1=Nc2ccccc2CS1)N1CCc2ccccc21 ZINC000006588116 564092380 /nfs/dbraw/zinc/09/23/80/564092380.db2.gz QWMYYGVSQNHABX-UHFFFAOYSA-N 0 0 340.473 4.243 50 0 EIAARN CCc1noc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 ZINC000064580056 564092444 /nfs/dbraw/zinc/09/24/44/564092444.db2.gz GNCJQPZBZKZXQX-UHFFFAOYSA-N 0 0 327.771 4.205 50 0 EIAARN Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC000064580916 564092499 /nfs/dbraw/zinc/09/24/99/564092499.db2.gz FAOPUCXVQLTFQG-UHFFFAOYSA-N 0 0 329.762 4.226 50 0 EIAARN CC(C)c1nc2cc(NC(=O)N[C@@H]3CCc4ccccc43)ccc2[nH]1 ZINC000426486027 564093839 /nfs/dbraw/zinc/09/38/39/564093839.db2.gz ULZHROXXLDHYDS-MRXNPFEDSA-N 0 0 334.423 4.495 50 0 EIAARN Cc1cc(F)ccc1-c1cccc(C(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000426612583 564094215 /nfs/dbraw/zinc/09/42/15/564094215.db2.gz QIEFDTGWFBLYCU-FQEVSTJZSA-N 0 0 339.410 4.052 50 0 EIAARN Cc1cc(F)ccc1-c1cccc(C(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000426612584 564094241 /nfs/dbraw/zinc/09/42/41/564094241.db2.gz QIEFDTGWFBLYCU-HXUWFJFHSA-N 0 0 339.410 4.052 50 0 EIAARN Cc1ccc(CCNc2ncnc3c(-c4ccccc4)noc32)cc1 ZINC000064658348 564094701 /nfs/dbraw/zinc/09/47/01/564094701.db2.gz KPMSXHJZQUOABC-UHFFFAOYSA-N 0 0 330.391 4.248 50 0 EIAARN Cc1ccc(CN2C(=O)C(C)=C(C)[C@H]2c2cn(C)c3ccccc23)o1 ZINC000006627911 564094702 /nfs/dbraw/zinc/09/47/02/564094702.db2.gz VWXRXZFQGXCNAC-FQEVSTJZSA-N 0 0 334.419 4.500 50 0 EIAARN Cc1ccc(-n2ccn3cc(-c4ccc(Cl)cc4)nc3c2=O)cc1C ZINC000064670294 564095044 /nfs/dbraw/zinc/09/50/44/564095044.db2.gz VBMHVQDZRLAFKP-UHFFFAOYSA-N 0 0 349.821 4.422 50 0 EIAARN CCc1nc(-c2cccc(-c3noc(-c4ccccn4)n3)c2)cs1 ZINC000064677022 564095266 /nfs/dbraw/zinc/09/52/66/564095266.db2.gz KVBWUJHONATFKF-UHFFFAOYSA-N 0 0 334.404 4.485 50 0 EIAARN O=C(c1ccc(F)cc1F)N1CCC(CCOc2ccccc2)CC1 ZINC000064678036 564095338 /nfs/dbraw/zinc/09/53/38/564095338.db2.gz NVJJUXQQBPKFEK-UHFFFAOYSA-N 0 0 345.389 4.286 50 0 EIAARN O=C(CCc1ccccc1)Nc1nn2cc(-c3ccccc3)nc2s1 ZINC000006650906 564095412 /nfs/dbraw/zinc/09/54/12/564095412.db2.gz LHGQPLURLQZXKN-UHFFFAOYSA-N 0 0 348.431 4.029 50 0 EIAARN O=C(CCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000006650767 564095436 /nfs/dbraw/zinc/09/54/36/564095436.db2.gz SNZNWHNOYQSUQT-UHFFFAOYSA-N 0 0 337.394 4.105 50 0 EIAARN CCn1cnc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)ccc21 ZINC000064754840 564095891 /nfs/dbraw/zinc/09/58/91/564095891.db2.gz RAPVYRVEQCASLS-UHFFFAOYSA-N 0 0 347.340 4.005 50 0 EIAARN O=C1C(=O)N(Cc2cccc(Cl)c2)c2c1cccc2C(F)(F)F ZINC000006719734 564096317 /nfs/dbraw/zinc/09/63/17/564096317.db2.gz RWPZVMUTYCCAGW-UHFFFAOYSA-N 0 0 339.700 4.088 50 0 EIAARN COc1ccc(Nc2ncnc3c(-c4ccccc4)noc32)c(OC)c1 ZINC000064820827 564096617 /nfs/dbraw/zinc/09/66/17/564096617.db2.gz HEFUVXTZEMDIDN-UHFFFAOYSA-N 0 0 348.362 4.046 50 0 EIAARN COC(=O)c1cn(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 ZINC000006735208 564096650 /nfs/dbraw/zinc/09/66/50/564096650.db2.gz AOBULWSQPGPWAE-UHFFFAOYSA-N 0 0 337.419 4.285 50 0 EIAARN CCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cc(C)ccc1O2 ZINC000006748529 564097057 /nfs/dbraw/zinc/09/70/57/564097057.db2.gz UNZUHRYHSBYIDD-UHFFFAOYSA-N 0 0 334.375 4.253 50 0 EIAARN Cc1nc(NC(=O)c2c(C)c(C)sc2NC(=O)C2CC2)sc1C ZINC000064858953 564097116 /nfs/dbraw/zinc/09/71/16/564097116.db2.gz OXHLESXQGXVJNC-UHFFFAOYSA-N 0 0 349.481 4.039 50 0 EIAARN CCC(CC)C(=O)NCCn1c2ccccc2nc1-c1ccccc1 ZINC000064887980 564097380 /nfs/dbraw/zinc/09/73/80/564097380.db2.gz ROGMYGKELGMMMA-UHFFFAOYSA-N 0 0 335.451 4.256 50 0 EIAARN CCC(CC)NC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000006777820 564097558 /nfs/dbraw/zinc/09/75/58/564097558.db2.gz XGBFNOKSBFWVAV-UHFFFAOYSA-N 0 0 349.471 4.101 50 0 EIAARN CCc1c(C(=O)N2CCCC2)c(CC(C)C)nn1-c1ccccc1C ZINC000006773056 564097568 /nfs/dbraw/zinc/09/75/68/564097568.db2.gz XIPHDXDUIWITTL-UHFFFAOYSA-N 0 0 339.483 4.178 50 0 EIAARN CN(C)c1c(Cl)cccc1NC(=O)c1ccc(Cl)nc1Cl ZINC000064916825 564097656 /nfs/dbraw/zinc/09/76/56/564097656.db2.gz QZGNAAACBRFVGP-UHFFFAOYSA-N 0 0 344.629 4.360 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2)c2ccccc2)c1C ZINC000006787698 564097812 /nfs/dbraw/zinc/09/78/12/564097812.db2.gz MKALXCRKZVEXJA-UHFFFAOYSA-N 0 0 346.430 4.354 50 0 EIAARN Cc1ccc(-c2nncc(-c3ccc(Br)cc3)n2)cc1 ZINC000006788633 564097818 /nfs/dbraw/zinc/09/78/18/564097818.db2.gz SGZIIPKMRQZXIR-UHFFFAOYSA-N 0 0 326.197 4.277 50 0 EIAARN CCOc1ccc(Nc2c(=O)c(=O)c2-c2ccc(C(C)C)cc2)cc1 ZINC000006793287 564098027 /nfs/dbraw/zinc/09/80/27/564098027.db2.gz CSKMRHOTFMEDMD-UHFFFAOYSA-N 0 0 335.403 4.215 50 0 EIAARN C=C1C(Nc2ccccc2Cl)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000006797077 564098037 /nfs/dbraw/zinc/09/80/37/564098037.db2.gz WTJGBQKISNXISD-UHFFFAOYSA-N 0 0 346.839 4.233 50 0 EIAARN O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1F ZINC000006810800 564098583 /nfs/dbraw/zinc/09/85/83/564098583.db2.gz CGRKIIUSYUFYSX-UHFFFAOYSA-N 0 0 345.761 4.100 50 0 EIAARN CCOc1ccccc1NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1 ZINC000006811388 564098599 /nfs/dbraw/zinc/09/85/99/564098599.db2.gz YMDSJZICDVXQQL-UHFFFAOYSA-N 0 0 337.375 4.061 50 0 EIAARN CCOc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 ZINC000006811310 564098612 /nfs/dbraw/zinc/09/86/12/564098612.db2.gz WNGRTIBLAVAHER-UHFFFAOYSA-N 0 0 337.375 4.061 50 0 EIAARN CCc1ccc2oc(C(=O)Nc3ccccc3Cl)cc(=O)c2c1 ZINC000006811270 564098613 /nfs/dbraw/zinc/09/86/13/564098613.db2.gz QVUUFTFYZPEHMU-UHFFFAOYSA-N 0 0 327.767 4.261 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2ccc(C)cc2o1 ZINC000006811253 564098624 /nfs/dbraw/zinc/09/86/24/564098624.db2.gz BTQUQBQMQMGUML-UHFFFAOYSA-N 0 0 343.766 4.016 50 0 EIAARN CCOc1ccc(NC(=O)NCCc2c(C)[nH]c3ccccc32)cc1 ZINC000006811538 564098638 /nfs/dbraw/zinc/09/86/38/564098638.db2.gz VMWSDSYYEKYUJF-UHFFFAOYSA-N 0 0 337.423 4.239 50 0 EIAARN COc1ccccc1CNC(=O)c1cc(-c2ccc(F)cc2)[nH]c1C ZINC000006818465 564098774 /nfs/dbraw/zinc/09/87/74/564098774.db2.gz ZRCROMSMGHKQDY-UHFFFAOYSA-N 0 0 338.382 4.068 50 0 EIAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1ccccc1F ZINC000006826636 564098955 /nfs/dbraw/zinc/09/89/55/564098955.db2.gz YGTSFIUWQQWLED-UHFFFAOYSA-N 0 0 340.354 4.006 50 0 EIAARN O=C(Nc1ccccc1)OCCCCOC(=O)Nc1ccccc1 ZINC000001634176 564098994 /nfs/dbraw/zinc/09/89/94/564098994.db2.gz GCORSUUCQDCPOM-UHFFFAOYSA-N 0 0 328.368 4.264 50 0 EIAARN O=C(Cc1ccccc1Cl)Nc1nc(-c2ccncc2)cs1 ZINC000006830357 564099044 /nfs/dbraw/zinc/09/90/44/564099044.db2.gz MFGRJJFHPIQYGH-UHFFFAOYSA-N 0 0 329.812 4.040 50 0 EIAARN Cc1ccc([C@@H]2c3cccn3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000006845870 564099561 /nfs/dbraw/zinc/09/95/61/564099561.db2.gz UPTTVQPZWYKRMO-HXUWFJFHSA-N 0 0 334.394 4.181 50 0 EIAARN Cc1c2ccccc2oc1-c1noc(C(=O)NCc2ccccc2C)n1 ZINC000065009902 564099566 /nfs/dbraw/zinc/09/95/66/564099566.db2.gz NCDWLVCKJOINJT-UHFFFAOYSA-N 0 0 347.374 4.030 50 0 EIAARN CC[C@H](C)NC(=O)c1cnn2c1nccc2-c1ccc(C(C)C)cc1 ZINC000065026665 564099664 /nfs/dbraw/zinc/09/96/64/564099664.db2.gz MKYWKQLCRNVCLI-AWEZNQCLSA-N 0 0 336.439 4.048 50 0 EIAARN Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000006859714 564099770 /nfs/dbraw/zinc/09/97/70/564099770.db2.gz MLONRGHLEMUCDX-GFCCVEGCSA-N 0 0 343.370 4.053 50 0 EIAARN COC(=O)c1cc(Nc2ccc(C(C)=O)cc2)c2cccc(F)c2n1 ZINC000065033712 564099910 /nfs/dbraw/zinc/09/99/10/564099910.db2.gz WFBIQBLFPZJIEI-UHFFFAOYSA-N 0 0 338.338 4.107 50 0 EIAARN COc1ccc(OC)c(NC(=O)N2C[C@H](C)Sc3ccccc32)c1 ZINC000006876906 564100309 /nfs/dbraw/zinc/10/03/09/564100309.db2.gz XAFSPPOUNCOUNB-LBPRGKRZSA-N 0 0 344.436 4.237 50 0 EIAARN O=C(c1cnc2ccccc2n1)N(Cc1ccco1)Cc1ccccc1 ZINC000006880078 564100448 /nfs/dbraw/zinc/10/04/48/564100448.db2.gz YLFGLRVCSCZGIQ-UHFFFAOYSA-N 0 0 343.386 4.065 50 0 EIAARN COc1ccc(NC(=O)c2ccnc(-c3ccsc3)c2)c(OC)c1 ZINC000065063138 564100519 /nfs/dbraw/zinc/10/05/19/564100519.db2.gz LPCVKBWUEGKPOE-UHFFFAOYSA-N 0 0 340.404 4.080 50 0 EIAARN O=C(NC(c1ccccc1)c1ccccc1)c1cnc2ccccc2n1 ZINC000006881799 564100585 /nfs/dbraw/zinc/10/05/85/564100585.db2.gz XIAGSSBEAIJBKF-UHFFFAOYSA-N 0 0 339.398 4.149 50 0 EIAARN O=C(/C=C/c1ccccc1F)Nc1nnc(CC2CCCC2)s1 ZINC000006884407 564100618 /nfs/dbraw/zinc/10/06/18/564100618.db2.gz WPEVKOFCHJLUJE-MDZDMXLPSA-N 0 0 331.416 4.062 50 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ZINC000065726156 564109955 /nfs/dbraw/zinc/10/99/55/564109955.db2.gz BMBPXBCQEXOUIW-UHFFFAOYSA-N 0 0 346.430 4.185 50 0 EIAARN Cc1ccc2c(c1)[C@H](NC(=O)N1CCn3cccc3[C@H]1C)CCS2 ZINC000170622306 564110366 /nfs/dbraw/zinc/11/03/66/564110366.db2.gz VQQZRCRMFBIODJ-GDBMZVCRSA-N 0 0 341.480 4.120 50 0 EIAARN Cc1nnc([C@H](C)OC(=O)c2cccc3c4c([nH]c32)CCCCC4)o1 ZINC000170625762 564110457 /nfs/dbraw/zinc/11/04/57/564110457.db2.gz DKADJYVLCJRQMK-NSHDSACASA-N 0 0 339.395 4.046 50 0 EIAARN O=C(N[C@@H]1CCCOc2ccccc21)N1CCC[C@]2(CC=CCC2)C1 ZINC000170626927 564110540 /nfs/dbraw/zinc/11/05/40/564110540.db2.gz ZPXKPVZRUPWLKM-WIYYLYMNSA-N 0 0 340.467 4.432 50 0 EIAARN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170631271 564110677 /nfs/dbraw/zinc/11/06/77/564110677.db2.gz SWZSWEKECFPGLF-UEXGIBASSA-N 0 0 348.531 4.360 50 0 EIAARN Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000042034874 564110721 /nfs/dbraw/zinc/11/07/21/564110721.db2.gz PZSJNTRDLKKAFL-BUHFOSPRSA-N 0 0 346.434 4.432 50 0 EIAARN CCn1nc(C)c(NC(=O)c2cc3occc3c(OC(C)C)c2)c1C ZINC000071195351 564110782 /nfs/dbraw/zinc/11/07/82/564110782.db2.gz HVIQOCOZOFEISB-UHFFFAOYSA-N 0 0 341.411 4.306 50 0 EIAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1cccc(Br)c1 ZINC000071283895 564110843 /nfs/dbraw/zinc/11/08/43/564110843.db2.gz GKYTXZFDGTWUIM-LBPRGKRZSA-N 0 0 334.217 4.350 50 0 EIAARN COc1ccccc1NC(=S)NCc1ccccc1C(F)(F)F ZINC000013577436 564111816 /nfs/dbraw/zinc/11/18/16/564111816.db2.gz VEFNZHWCLCVGNW-UHFFFAOYSA-N 0 0 340.370 4.201 50 0 EIAARN CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013631372 564111861 /nfs/dbraw/zinc/11/18/61/564111861.db2.gz XBNDGDAGNIOIBK-UHFFFAOYSA-N 0 0 344.414 4.356 50 0 EIAARN CC(=O)c1ccccc1NC(=O)Nc1ccccc1Br ZINC000013746531 564112021 /nfs/dbraw/zinc/11/20/21/564112021.db2.gz CXRYEKZMMHOHJH-UHFFFAOYSA-N 0 0 333.185 4.296 50 0 EIAARN COc1ccc(C(=O)Nc2cccnc2-c2ccccc2)cc1OC ZINC000152674620 564112392 /nfs/dbraw/zinc/11/23/92/564112392.db2.gz DGPPQAQDHZKFHO-UHFFFAOYSA-N 0 0 334.375 4.018 50 0 EIAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)cc2)n1 ZINC000014598140 564112541 /nfs/dbraw/zinc/11/25/41/564112541.db2.gz ASLIWELGHHUJIN-XLIONFOSSA-N 0 0 337.467 4.284 50 0 EIAARN Cc1nnc(-c2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC000089736432 564113515 /nfs/dbraw/zinc/11/35/15/564113515.db2.gz YXAARIOBNXQVLI-UHFFFAOYSA-N 0 0 347.296 4.316 50 0 EIAARN O=C(Nc1cccc(CSC2CCCC2)c1)N1CC[C@H](CCO)C1 ZINC000089780540 564113675 /nfs/dbraw/zinc/11/36/75/564113675.db2.gz AMWZSSPHPGTOGH-OAHLLOKOSA-N 0 0 348.512 4.099 50 0 EIAARN O=C(CCC(=O)c1cccs1)NC1(c2ccc(F)cc2F)CCC1 ZINC000089799901 564113905 /nfs/dbraw/zinc/11/39/05/564113905.db2.gz UWQDRFUYQKBWLE-UHFFFAOYSA-N 0 0 349.402 4.185 50 0 EIAARN CC(C)Cn1ccc2cc(NC(=O)[C@H]3C[C@H]3c3cccnc3)ccc21 ZINC000089856724 564114277 /nfs/dbraw/zinc/11/42/77/564114277.db2.gz ARVZIOZCCQCIIM-OALUTQOASA-N 0 0 333.435 4.435 50 0 EIAARN CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](C)OCC(F)(F)F ZINC000089887947 564114689 /nfs/dbraw/zinc/11/46/89/564114689.db2.gz QXNCBORBVVAPAS-VIFPVBQESA-N 0 0 339.741 4.033 50 0 EIAARN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CCCc2ccccc21 ZINC000089894190 564114951 /nfs/dbraw/zinc/11/49/51/564114951.db2.gz MCOOMDYSXOTRCU-BLLLJJGKSA-N 0 0 325.374 4.296 50 0 EIAARN C[C@@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccc2c(c1)CCO2 ZINC000089905094 564115071 /nfs/dbraw/zinc/11/50/71/564115071.db2.gz AXZNNIBOCDKMRL-CJNGLKHVSA-N 0 0 342.464 4.291 50 0 EIAARN O=C(CCc1c[nH]c2ccccc12)N1CCc2c3ccccc3[nH]c2C1 ZINC000089916271 564115300 /nfs/dbraw/zinc/11/53/00/564115300.db2.gz GPOGTRLKJKSKHK-UHFFFAOYSA-N 0 0 343.430 4.167 50 0 biogenic EIAARN CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)Nc1nncs1 ZINC000089919253 564115394 /nfs/dbraw/zinc/11/53/94/564115394.db2.gz XYYRHFUIMGEICX-CQSZACIVSA-N 0 0 330.457 4.151 50 0 EIAARN CCc1ccccc1NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000076094073 564115677 /nfs/dbraw/zinc/11/56/77/564115677.db2.gz PZRPWCQJIXXCRK-UHFFFAOYSA-N 0 0 332.444 4.025 50 0 EIAARN CCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1Cl ZINC000000586040 564116752 /nfs/dbraw/zinc/11/67/52/564116752.db2.gz RNSVFIMGBWITCP-UHFFFAOYSA-N 0 0 343.766 4.097 50 0 EIAARN Cc1cccc2cc(CN(C(=O)C(C)C)C3CCCCC3)c(=O)[nH]c12 ZINC000017247064 564116785 /nfs/dbraw/zinc/11/67/85/564116785.db2.gz HIMCXQZGIWVIOC-UHFFFAOYSA-N 0 0 340.467 4.154 50 0 EIAARN CCOC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1 ZINC000001063676 564116845 /nfs/dbraw/zinc/11/68/45/564116845.db2.gz GRXRZCDKHAGUIK-UHFFFAOYSA-N 0 0 331.799 4.202 50 0 EIAARN COc1ccc2nc(C)cc(C(=O)N[C@@H](c3ccccc3)C3CC3)c2c1 ZINC000170638546 564117538 /nfs/dbraw/zinc/11/75/38/564117538.db2.gz QAUXDXXJTMPYSC-NRFANRHFSA-N 0 0 346.430 4.433 50 0 EIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H]2c2cccs2)c1C ZINC000252444300 564118442 /nfs/dbraw/zinc/11/84/42/564118442.db2.gz XIIZHANUUHWHCE-HIFRSBDPSA-N 0 0 344.480 4.304 50 0 EIAARN CCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)cc1 ZINC000007593894 564118692 /nfs/dbraw/zinc/11/86/92/564118692.db2.gz ZEOCIHILTNKJOR-UHFFFAOYSA-N 0 0 346.430 4.020 50 0 EIAARN CCC[C@@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000252463370 564118777 /nfs/dbraw/zinc/11/87/77/564118777.db2.gz DSDSXWCTEZRXQP-CRAIPNDOSA-N 0 0 342.508 4.325 50 0 EIAARN Cc1nc([C@@H](C)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 ZINC000252484030 564119249 /nfs/dbraw/zinc/11/92/49/564119249.db2.gz FMMFXSOZIOFIBL-OTYXRUKQSA-N 0 0 325.334 4.199 50 0 EIAARN Cc1cccc([C@@H]2CCCCN2C(=O)c2cnc([C@H](C)O)s2)c1C ZINC000252485432 564119280 /nfs/dbraw/zinc/11/92/80/564119280.db2.gz GVOVRLKAZJNKLC-HOCLYGCPSA-N 0 0 344.480 4.181 50 0 EIAARN CCCOc1ccc(CNC(=O)CCCc2csc(C)n2)c(C)c1 ZINC000252490143 564119449 /nfs/dbraw/zinc/11/94/49/564119449.db2.gz KKCYGUMZYAQAKH-UHFFFAOYSA-N 0 0 346.496 4.188 50 0 EIAARN CCN(Cc1ccccc1)C(=O)Nc1cc(CCC(C)C)nn1C ZINC000252498458 564119737 /nfs/dbraw/zinc/11/97/37/564119737.db2.gz RCNKIUURMZRCHA-UHFFFAOYSA-N 0 0 328.460 4.063 50 0 EIAARN CCCn1c2ccccc2nc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000012804759 564120058 /nfs/dbraw/zinc/12/00/58/564120058.db2.gz LOBHMWPKIMPHSE-QGZVFWFLSA-N 0 0 337.448 4.102 50 0 EIAARN CCO[C@H](CNC(=O)c1scnc1C1CCCC1)c1ccccc1 ZINC000194196672 564120410 /nfs/dbraw/zinc/12/04/10/564120410.db2.gz QHIFQSUJNGLXGT-MRXNPFEDSA-N 0 0 344.480 4.308 50 0 EIAARN COc1cc(NC(=O)N2CCCc3ccccc3C2)ccc1Cl ZINC000194379793 564120534 /nfs/dbraw/zinc/12/05/34/564120534.db2.gz KQQTUBKBYPUMDG-UHFFFAOYSA-N 0 0 330.815 4.329 50 0 EIAARN Cc1cccc(-n2ccnc(SCc3ccc(Cl)cc3)c2=O)c1 ZINC000007615759 564121015 /nfs/dbraw/zinc/12/10/15/564121015.db2.gz BLDBVXUTSWRIJP-UHFFFAOYSA-N 0 0 342.851 4.487 50 0 EIAARN C[C@@H](NC(=O)/C=C/c1cccs1)c1ccc(Br)cc1 ZINC000007645598 564121525 /nfs/dbraw/zinc/12/15/25/564121525.db2.gz XAYKMHFDYJKQMI-ANYFNZRUSA-N 0 0 336.254 4.401 50 0 EIAARN CN(C(=O)c1ccn(-c2ccccc2Cl)n1)c1cc(F)ccc1F ZINC000170746176 564122255 /nfs/dbraw/zinc/12/22/55/564122255.db2.gz ANFPONPHJGEFEW-UHFFFAOYSA-N 0 0 347.752 4.081 50 0 EIAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccccc1Cl ZINC000007750045 564122603 /nfs/dbraw/zinc/12/26/03/564122603.db2.gz QWSKDLLVOQJEHH-UHFFFAOYSA-N 0 0 333.800 4.023 50 0 EIAARN C[C@@H](C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000194945089 564122617 /nfs/dbraw/zinc/12/26/17/564122617.db2.gz TVDLNMZMFCOIGO-CYBMUJFWSA-N 0 0 345.439 4.112 50 0 EIAARN c1csc([C@@H](Nc2ccc(N3CCCCC3)cn2)c2ncc[nH]2)c1 ZINC000195094174 564122727 /nfs/dbraw/zinc/12/27/27/564122727.db2.gz QUXZIBAIZJXVQA-QGZVFWFLSA-N 0 0 339.468 4.058 50 0 EIAARN COc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000007764576 564122929 /nfs/dbraw/zinc/12/29/29/564122929.db2.gz NBBQEMUSYANVIC-UHFFFAOYSA-N 0 0 345.442 4.486 50 0 EIAARN CCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1CC ZINC000002213222 564122956 /nfs/dbraw/zinc/12/29/56/564122956.db2.gz VLUTYDKKZCCBEW-UHFFFAOYSA-N 0 0 340.448 4.489 50 0 EIAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2C(F)(F)F)c1 ZINC000007780221 564123150 /nfs/dbraw/zinc/12/31/50/564123150.db2.gz QMZSSWAUCHOZPG-UHFFFAOYSA-N 0 0 336.309 4.362 50 0 EIAARN Cc1ccccc1OCc1nc(-c2cccc(Br)c2)no1 ZINC000007781216 564123247 /nfs/dbraw/zinc/12/32/47/564123247.db2.gz HQPINZHAECQGSU-UHFFFAOYSA-N 0 0 345.196 4.387 50 0 EIAARN Cc1ccc(C)c(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000007788355 564123324 /nfs/dbraw/zinc/12/33/24/564123324.db2.gz QRFHTGRPAWDYJL-UHFFFAOYSA-N 0 0 326.415 4.046 50 0 EIAARN CCOc1ccccc1NC(=O)c1sc(-c2ccccn2)nc1C ZINC000007807474 564123600 /nfs/dbraw/zinc/12/36/00/564123600.db2.gz XLDJRCRBJHDVMA-UHFFFAOYSA-N 0 0 339.420 4.165 50 0 EIAARN Cc1ccc(CCC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)o1 ZINC000195553389 564123695 /nfs/dbraw/zinc/12/36/95/564123695.db2.gz KRNQOKILKJTWHY-KRWDZBQOSA-N 0 0 329.444 4.004 50 0 EIAARN Cc1nc(CSCCC(=O)Nc2ccc(O)c(Cl)c2)cs1 ZINC000195556813 564123747 /nfs/dbraw/zinc/12/37/47/564123747.db2.gz FXXYGDLHKQEXRQ-UHFFFAOYSA-N 0 0 342.873 4.073 50 0 EIAARN COc1ccc2oc([C@@H](C)NCc3nnc(C4CCC4)o3)c(C)c2c1 ZINC000195561404 564123865 /nfs/dbraw/zinc/12/38/65/564123865.db2.gz DSGFHNWSXMBWHF-GFCCVEGCSA-N 0 0 341.411 4.251 50 0 EIAARN C[C@H]1c2ccsc2CCN1C(=O)CCc1nc2ccccc2s1 ZINC000007829672 564124103 /nfs/dbraw/zinc/12/41/03/564124103.db2.gz GXFRREOWQMFXKM-LBPRGKRZSA-N 0 0 342.489 4.436 50 0 EIAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3ccccc3)s2)c1 ZINC000007843695 564124189 /nfs/dbraw/zinc/12/41/89/564124189.db2.gz NUUZEHCOIPRMHU-UHFFFAOYSA-N 0 0 339.420 4.456 50 0 EIAARN COc1ccc(CN(C)C(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000007871780 564124295 /nfs/dbraw/zinc/12/42/95/564124295.db2.gz VLGGBGITDLFKRV-UHFFFAOYSA-N 0 0 349.883 4.489 50 0 EIAARN O=C(COc1ccccc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007890160 564124444 /nfs/dbraw/zinc/12/44/44/564124444.db2.gz ZAXQBDDCEIORJO-IBGZPJMESA-N 0 0 341.407 4.172 50 0 EIAARN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)Nc3cn[nH]c3)c2)C1 ZINC000063321331 564124877 /nfs/dbraw/zinc/12/48/77/564124877.db2.gz NVSKYIIDYZNTTH-DYVFJYSZSA-N 0 0 328.416 4.149 50 0 EIAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252695206 564124994 /nfs/dbraw/zinc/12/49/94/564124994.db2.gz WGYHVQYXJNPQAA-FIFVOOHXSA-N 0 0 332.484 4.099 50 0 EIAARN CCOc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000007915583 564125116 /nfs/dbraw/zinc/12/51/16/564125116.db2.gz ZTBBLSXDMYXGGX-UHFFFAOYSA-N 0 0 335.407 4.140 50 0 EIAARN Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 ZINC000007918631 564125154 /nfs/dbraw/zinc/12/51/54/564125154.db2.gz YRCWWBRHUSKSGN-UHFFFAOYSA-N 0 0 346.415 4.314 50 0 EIAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CCC21OCCO1 ZINC000003881632 564128937 /nfs/dbraw/zinc/12/89/37/564128937.db2.gz AOYBIWCQSGSYJF-UEDWAMCQSA-N 0 0 328.452 4.037 50 0 biogenic EIAARN CC(C)C(=O)c1ccc([C@H](C)C(=O)N(C)[C@H](C)c2ccccn2)cc1 ZINC000253392831 564130467 /nfs/dbraw/zinc/13/04/67/564130467.db2.gz HUXPXURGUJLMAZ-JKSUJKDBSA-N 0 0 338.451 4.243 50 0 EIAARN COC1CCN(c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)CC1 ZINC000253403070 564130570 /nfs/dbraw/zinc/13/05/70/564130570.db2.gz PHOUPRNDMZKQDI-UHFFFAOYSA-N 0 0 338.451 4.171 50 0 EIAARN CCCN(CC)c1ccc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)cc1 ZINC000253418013 564130872 /nfs/dbraw/zinc/13/08/72/564130872.db2.gz FOSSMBINKPXWEE-XLIONFOSSA-N 0 0 346.515 4.079 50 0 EIAARN Nc1c(F)cc(Cl)cc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000253418670 564130889 /nfs/dbraw/zinc/13/08/89/564130889.db2.gz VGPKGRHVQSAYSY-UHFFFAOYSA-N 0 0 336.819 4.052 50 0 EIAARN CC(=O)c1cc(F)c(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c(F)c1 ZINC000253419987 564130984 /nfs/dbraw/zinc/13/09/84/564130984.db2.gz POILVDLYMBQHGV-NWDGAFQWSA-N 0 0 335.375 4.280 50 0 EIAARN O=C(OCc1cnccc1Cl)c1cnc(-c2ccccc2)s1 ZINC000253424529 564131078 /nfs/dbraw/zinc/13/10/78/564131078.db2.gz HOMKVHXNNDVDCC-UHFFFAOYSA-N 0 0 330.796 4.216 50 0 EIAARN Cc1ncsc1CN(C)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000253429142 564131319 /nfs/dbraw/zinc/13/13/19/564131319.db2.gz PHAXPMIMKBFZEC-GOEBONIOSA-N 0 0 347.459 4.068 50 0 EIAARN C[C@@H](c1cccs1)N(C)C(=O)NCCCSCc1ccco1 ZINC000584899007 564131712 /nfs/dbraw/zinc/13/17/12/564131712.db2.gz HRTROGNWNOLMOX-ZDUSSCGKSA-N 0 0 338.498 4.367 50 0 EIAARN Cc1cc(Cl)c(NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000253431001 564131764 /nfs/dbraw/zinc/13/17/64/564131764.db2.gz YZLBLADPKSLOEG-NEPJUHHUSA-N 0 0 343.254 4.192 50 0 EIAARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1ccccc1Cl ZINC000002324833 564132320 /nfs/dbraw/zinc/13/23/20/564132320.db2.gz IHFSPEHRQZVSBP-UHFFFAOYSA-N 0 0 344.201 4.233 50 0 EIAARN Cc1nnc2sc(-c3cccc4c(Br)cccc34)nn12 ZINC000002330755 564132339 /nfs/dbraw/zinc/13/23/39/564132339.db2.gz JPDHZLAIKAKRJV-UHFFFAOYSA-N 0 0 345.225 4.077 50 0 EIAARN COc1ccc(Cl)cc1C(=O)N[C@H](C)Cc1cc2ccccc2o1 ZINC000253472008 564132637 /nfs/dbraw/zinc/13/26/37/564132637.db2.gz HTVDYJPBBHYIOG-GFCCVEGCSA-N 0 0 343.810 4.456 50 0 EIAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253498201 564132744 /nfs/dbraw/zinc/13/27/44/564132744.db2.gz NCMZQTLCXHGLOK-UMZDPGFTSA-N 0 0 330.468 4.450 50 0 EIAARN O=C(Nc1cccc(Cl)c1Cl)N(C[C@H]1CCOC1)C1CC1 ZINC000123074671 564132965 /nfs/dbraw/zinc/13/29/65/564132965.db2.gz MRHJWKVIFIBIOX-SNVBAGLBSA-N 0 0 329.227 4.026 50 0 EIAARN O=C1NC(=S)SC1=Cc1ccc(OCc2cscn2)cc1 ZINC000056686851 564132975 /nfs/dbraw/zinc/13/29/75/564132975.db2.gz OEDFCEXTMHFBQN-LFYBBSHMSA-N 0 0 334.447 4.051 50 0 EIAARN CCOCCCn1c(-c2ccccc2C)nc2nc3ccccc3nc21 ZINC000002400607 564134548 /nfs/dbraw/zinc/13/45/48/564134548.db2.gz YAUVFNQPKIHSHR-UHFFFAOYSA-N 0 0 346.434 4.382 50 0 EIAARN CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccc(Cl)c1 ZINC000002444626 564135240 /nfs/dbraw/zinc/13/52/40/564135240.db2.gz XOQALFVNNAEKFG-UHFFFAOYSA-N 0 0 337.876 4.326 50 0 EIAARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000012658740 564135428 /nfs/dbraw/zinc/13/54/28/564135428.db2.gz FMNPCVNWRFPDCA-ONUIULTDSA-N 0 0 328.452 4.483 50 0 biogenic EIAARN Cn1c2ccccc2nc1-c1ccc(-c2nc3ccccc3n2C)o1 ZINC000013233687 564136137 /nfs/dbraw/zinc/13/61/37/564136137.db2.gz DCQMTQROWWTYEM-UHFFFAOYSA-N 0 0 328.375 4.387 50 0 EIAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cs1 ZINC000013358177 564136266 /nfs/dbraw/zinc/13/62/66/564136266.db2.gz VMNOXVXFTYYYNJ-UHFFFAOYSA-N 0 0 344.461 4.228 50 0 EIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2-c2nnc(C)o2)C1(C)C ZINC000078912557 564137410 /nfs/dbraw/zinc/13/74/10/564137410.db2.gz KMGDCBDJKGAFHV-HOCLYGCPSA-N 0 0 325.412 4.222 50 0 EIAARN Cc1nnc([C@H](C)Nc2cccc(COCCc3ccccc3)c2)o1 ZINC000079030023 564137685 /nfs/dbraw/zinc/13/76/85/564137685.db2.gz CCGLLASIIAPHNC-HNNXBMFYSA-N 0 0 337.423 4.310 50 0 EIAARN N=c1n(CCc2ccccc2)c2ccccc2n1CCc1ccccc1 ZINC000019901287 564138242 /nfs/dbraw/zinc/13/82/42/564138242.db2.gz DDLQOTAOLAPZKV-UHFFFAOYSA-N 0 0 341.458 4.408 50 0 EIAARN C[C@H](Oc1ccccc1NCc1nnc2n1CCCC2)c1ccccc1 ZINC000278651278 564138403 /nfs/dbraw/zinc/13/84/03/564138403.db2.gz DHKCZMCPVDQTMJ-INIZCTEOSA-N 0 0 348.450 4.367 50 0 EIAARN O=C(COc1ccccc1F)N[C@@H](c1ccsc1)c1cccs1 ZINC000390827104 564138505 /nfs/dbraw/zinc/13/85/05/564138505.db2.gz UCQHBJHTQLRPDI-KRWDZBQOSA-N 0 0 347.436 4.233 50 0 EIAARN O=C(Cc1cccc2ccccc21)NCc1ccc(-c2ccoc2)nc1 ZINC000390830137 564138618 /nfs/dbraw/zinc/13/86/18/564138618.db2.gz IZKSSWFPTPCTME-UHFFFAOYSA-N 0 0 342.398 4.354 50 0 EIAARN O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@H](OCC2CC2)C1 ZINC000390831255 564138666 /nfs/dbraw/zinc/13/86/66/564138666.db2.gz QSMLCJBKYHXMFY-SFHVURJKSA-N 0 0 327.449 4.056 50 0 EIAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1cccnc1C1CC1 ZINC000390833119 564138761 /nfs/dbraw/zinc/13/87/61/564138761.db2.gz CJIMITOSUWBAOI-UHFFFAOYSA-N 0 0 345.402 4.185 50 0 EIAARN CCc1oc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C ZINC000390834225 564138908 /nfs/dbraw/zinc/13/89/08/564138908.db2.gz UVSSWXTWLVXQIX-AEFFLSMTSA-N 0 0 345.414 4.282 50 0 EIAARN NC(=O)c1ccc(NC(=O)N2CCCC[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000095457600 564140640 /nfs/dbraw/zinc/14/06/40/564140640.db2.gz RWJVVTXHHDJMIO-LRDDRELGSA-N 0 0 349.862 4.016 50 0 EIAARN CCc1cnc(CNC(=O)Nc2scnc2-c2ccccc2)s1 ZINC000095460741 564140800 /nfs/dbraw/zinc/14/08/00/564140800.db2.gz FNAFMFPIZKAVDF-UHFFFAOYSA-N 0 0 344.465 4.151 50 0 EIAARN CCN1Cc2cccc(NC(=O)c3cccc4c(C)c(C)[nH]c43)c2C1 ZINC000095464966 564140957 /nfs/dbraw/zinc/14/09/57/564140957.db2.gz MSCMRXPPGQSBRK-UHFFFAOYSA-N 0 0 333.435 4.373 50 0 EIAARN CC(C)c1nc2ccc(NC(=O)NOCc3cccnc3)cc2s1 ZINC000095467085 564141115 /nfs/dbraw/zinc/14/11/15/564141115.db2.gz DYTJZBVCPHGJMX-UHFFFAOYSA-N 0 0 342.424 4.068 50 0 EIAARN C[C@H](c1ccccc1)N(C)C(=O)c1cc(N(C)C)nc2ccccc21 ZINC000095468983 564141182 /nfs/dbraw/zinc/14/11/82/564141182.db2.gz JWXDEGKHLVHDNH-OAHLLOKOSA-N 0 0 333.435 4.134 50 0 EIAARN CC(C)n1ccc2c1cccc2C(=O)NCc1nc2ccccc2[nH]1 ZINC000095475820 564141422 /nfs/dbraw/zinc/14/14/22/564141422.db2.gz QKKYYCORZLPHDY-UHFFFAOYSA-N 0 0 332.407 4.029 50 0 EIAARN CC(=O)Nc1cccc(NC(=O)c2nc(Cl)sc2C(C)C)c1 ZINC000095475495 564141423 /nfs/dbraw/zinc/14/14/23/564141423.db2.gz GKOUSVCDVFRWOV-UHFFFAOYSA-N 0 0 337.832 4.131 50 0 EIAARN CC(C)n1cc(C(=O)NCCn2cnc3ccccc32)c2ccccc21 ZINC000095476201 564141440 /nfs/dbraw/zinc/14/14/40/564141440.db2.gz VJDBAPRZZPAMOV-UHFFFAOYSA-N 0 0 346.434 4.002 50 0 EIAARN CC(C)n1c(C(=O)NCCc2nccs2)cc2cc(Cl)ccc21 ZINC000095477852 564141491 /nfs/dbraw/zinc/14/14/91/564141491.db2.gz SKWIFCWOFZVTAE-UHFFFAOYSA-N 0 0 347.871 4.305 50 0 EIAARN CC(C)c1sc(Cl)nc1C(=O)Nc1ccc2c(c1)ncn2C ZINC000095477234 564141505 /nfs/dbraw/zinc/14/15/05/564141505.db2.gz PMAMLNBYHIRBHN-UHFFFAOYSA-N 0 0 334.832 4.059 50 0 EIAARN CC(C)n1ccc2c1cccc2C(=O)Nc1ccc2c(c1)ncn2C ZINC000095480285 564141553 /nfs/dbraw/zinc/14/15/53/564141553.db2.gz RVCGQNUPAPAFMT-UHFFFAOYSA-N 0 0 332.407 4.361 50 0 EIAARN CCc1noc(C)c1NC(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000095942687 564142077 /nfs/dbraw/zinc/14/20/77/564142077.db2.gz IVFHDCNEWDIYFI-UHFFFAOYSA-N 0 0 326.356 4.153 50 0 EIAARN Cc1nnc(NCc2ccc(-c3cccc(Cl)c3Cl)o2)n1C ZINC000095943677 564142152 /nfs/dbraw/zinc/14/21/52/564142152.db2.gz IKBDJZLAHHBTJC-UHFFFAOYSA-N 0 0 337.210 4.302 50 0 EIAARN CC(C)C[C@@H](C)N(C)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000095948936 564142311 /nfs/dbraw/zinc/14/23/11/564142311.db2.gz NAAKCOIYPNQKCW-MRVPVSSYSA-N 0 0 330.302 4.110 50 0 EIAARN C[C@@H](NC(=O)N[C@@H](C)Cc1ccc2ccccc2c1)c1ccncc1 ZINC000095948078 564142314 /nfs/dbraw/zinc/14/23/14/564142314.db2.gz JZUUPCJMZHROMU-JKSUJKDBSA-N 0 0 333.435 4.226 50 0 EIAARN Cc1ccsc1-c1cccc(NC(=O)N(C)C[C@@H]2CCOC2)c1 ZINC000095964201 564142844 /nfs/dbraw/zinc/14/28/44/564142844.db2.gz RTXMWZQAWHCTRR-AWEZNQCLSA-N 0 0 330.453 4.224 50 0 EIAARN CCc1cnc([C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000095968990 564143327 /nfs/dbraw/zinc/14/33/27/564143327.db2.gz JFAQBXBPEXRCND-OLZOCXBDSA-N 0 0 345.468 4.074 50 0 EIAARN c1ccc([C@H]2CCc3nc(CN4CCCSCC4)sc3C2)cc1 ZINC000096003599 564144440 /nfs/dbraw/zinc/14/44/40/564144440.db2.gz WEVDSMHHZQZKNC-INIZCTEOSA-N 0 0 344.549 4.355 50 0 EIAARN Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCCOC(C)C ZINC000096008712 564144628 /nfs/dbraw/zinc/14/46/28/564144628.db2.gz PFIQCSCLFKXYQG-UHFFFAOYSA-N 0 0 334.847 4.132 50 0 EIAARN CCc1nnc([C@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)o1 ZINC000096014089 564144854 /nfs/dbraw/zinc/14/48/54/564144854.db2.gz IHYNLKUXOTZSAR-RYUDHWBXSA-N 0 0 329.400 4.107 50 0 EIAARN C[S@@](=O)c1ccc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1 ZINC000096035215 564145088 /nfs/dbraw/zinc/14/50/88/564145088.db2.gz NELYQYKGXUBJPG-YRPGIQBKSA-N 0 0 341.476 4.373 50 0 EIAARN CCCCOc1ccc(C(=O)NC[C@H](OC)c2ccc(C)s2)cc1 ZINC000096104716 564145342 /nfs/dbraw/zinc/14/53/42/564145342.db2.gz JRWWFVIFXBKYMS-KRWDZBQOSA-N 0 0 347.480 4.353 50 0 EIAARN CO[C@@H]1CCN(c2ccc(NC(=O)Nc3ccccc3Cl)cc2)C1 ZINC000096122339 564145596 /nfs/dbraw/zinc/14/55/96/564145596.db2.gz CLPORECJGABKSF-OAHLLOKOSA-N 0 0 345.830 4.209 50 0 EIAARN Cc1cccnc1Nc1nc(-c2ccc3nsnc3c2)cs1 ZINC000096124470 564145694 /nfs/dbraw/zinc/14/56/94/564145694.db2.gz WEGZFIIQVYMGID-UHFFFAOYSA-N 0 0 325.422 4.262 50 0 EIAARN Cc1ccc(/C=C\C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000096158037 564145809 /nfs/dbraw/zinc/14/58/09/564145809.db2.gz SYNXLNYFDOEHGB-SEYXRHQNSA-N 0 0 348.490 4.051 50 0 EIAARN CCn1nc(C)c(NC(=O)c2ccc(Oc3cccc(F)c3)o2)c1C ZINC000096183899 564145900 /nfs/dbraw/zinc/14/59/00/564145900.db2.gz KOIOEIMVESZDGV-UHFFFAOYSA-N 0 0 343.358 4.297 50 0 EIAARN CN(C(=O)/C=C\c1ccco1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000096257323 564146192 /nfs/dbraw/zinc/14/61/92/564146192.db2.gz YEKBHOFEQVOVRG-JPMGXVIASA-N 0 0 336.366 4.075 50 0 EIAARN Cc1cccc(-c2noc(CCN(C(=O)CC(C)(C)C)C(C)C)n2)c1 ZINC000096293806 564146485 /nfs/dbraw/zinc/14/64/85/564146485.db2.gz QOCWENDRBSQVKQ-UHFFFAOYSA-N 0 0 343.471 4.261 50 0 EIAARN CC[C@H](C)[C@H](NC(=O)C1CC1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096293608 564146508 /nfs/dbraw/zinc/14/65/08/564146508.db2.gz TUHBHUKWDRKCBT-BONVTDFDSA-N 0 0 347.846 4.312 50 0 EIAARN COc1ccc2ccc(OC(=O)/C=C\c3csc(C)n3)cc2c1 ZINC000096401429 564147065 /nfs/dbraw/zinc/14/70/65/564147065.db2.gz FEZVBHABVZBXQT-YVMONPNESA-N 0 0 325.389 4.232 50 0 EIAARN COc1cccc(C[S@@](=O)Cc2nc(-c3cccs3)oc2C)c1 ZINC000096404326 564147241 /nfs/dbraw/zinc/14/72/41/564147241.db2.gz NACZMFGVSNJSSQ-QHCPKHFHSA-N 0 0 347.461 4.169 50 0 EIAARN CCCO[C@@H]1CCCN(C(=O)Nc2ccc3oc(CC)nc3c2)CC1 ZINC000096410695 564147623 /nfs/dbraw/zinc/14/76/23/564147623.db2.gz CGQFOKJEOHPZFJ-OAHLLOKOSA-N 0 0 345.443 4.203 50 0 EIAARN CS(=O)(=O)c1ccccc1SCc1cc(F)cc2cccnc21 ZINC000096410908 564147636 /nfs/dbraw/zinc/14/76/36/564147636.db2.gz OYCBSJSGHLYGBP-UHFFFAOYSA-N 0 0 347.436 4.070 50 0 EIAARN Cc1cnc(-c2cccc(NC(=O)NCc3sc(C)nc3C)c2)o1 ZINC000096434782 564147975 /nfs/dbraw/zinc/14/79/75/564147975.db2.gz XYYYBMMJWQPVEG-UHFFFAOYSA-N 0 0 342.424 4.045 50 0 EIAARN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)c1ncc(-c2ccccc2)o1 ZINC000096437056 564148057 /nfs/dbraw/zinc/14/80/57/564148057.db2.gz JHCDQLYIWIYRFK-CQSZACIVSA-N 0 0 347.418 4.424 50 0 EIAARN Cc1nc(C)c(CNc2ccc(Cc3nnc4ccccn43)cc2)s1 ZINC000096482831 564148616 /nfs/dbraw/zinc/14/86/16/564148616.db2.gz ONLBZXBROXFOAR-UHFFFAOYSA-N 0 0 349.463 4.006 50 0 EIAARN COc1ccc(NC(=O)N2Cc3cccn3-c3ccccc32)cc1OC ZINC000021883611 564148852 /nfs/dbraw/zinc/14/88/52/564148852.db2.gz QWHDZMNYQIORFT-UHFFFAOYSA-N 0 0 349.390 4.047 50 0 EIAARN Cc1ccc(N[C@H]2CCSc3ccccc32)cc1NS(C)(=O)=O ZINC000097038144 564149269 /nfs/dbraw/zinc/14/92/69/564149269.db2.gz FNRZWDQLSMAVRH-HNNXBMFYSA-N 0 0 348.493 4.016 50 0 EIAARN Clc1ccc(-c2nc(CN3CCC(c4cn[nH]c4)CC3)co2)cc1 ZINC000097202936 564149553 /nfs/dbraw/zinc/14/95/53/564149553.db2.gz OKKYZFRPMUYJHS-UHFFFAOYSA-N 0 0 342.830 4.098 50 0 EIAARN CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(F)ccc1F ZINC000027975785 564149843 /nfs/dbraw/zinc/14/98/43/564149843.db2.gz RHWPECKTVPNLIB-GOSISDBHSA-N 0 0 331.362 4.250 50 0 EIAARN Fc1cccc(-c2ccc(CNc3nnc([C@@H]4CCCO4)o3)o2)c1F ZINC000225622084 564150001 /nfs/dbraw/zinc/15/00/01/564150001.db2.gz VRKHPPKEVDPHPM-AWEZNQCLSA-N 0 0 347.321 4.071 50 0 EIAARN O=C(NCc1cccnc1-c1ccco1)c1ccc(-n2cccc2)cc1 ZINC000225661351 564150188 /nfs/dbraw/zinc/15/01/88/564150188.db2.gz WXCJWUYQSNWWFJ-UHFFFAOYSA-N 0 0 343.386 4.062 50 0 EIAARN CC(C)N=c1ccccn1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000254594121 564150385 /nfs/dbraw/zinc/15/03/85/564150385.db2.gz XSGHGXUIQCDGGP-WWVCQFAUSA-N 0 0 335.234 4.458 50 0 EIAARN O=C(NCc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028200442 564150703 /nfs/dbraw/zinc/15/07/03/564150703.db2.gz ZJGABRVVKUNVAO-UHFFFAOYSA-N 0 0 348.246 4.049 50 0 EIAARN O=C(NC1CC1)c1ccc(NCc2ccccc2Cl)cc1Cl ZINC000055873136 564150955 /nfs/dbraw/zinc/15/09/55/564150955.db2.gz CLTSYESDDAOOEC-UHFFFAOYSA-N 0 0 335.234 4.498 50 0 EIAARN Cc1occc1SCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000131446742 564151087 /nfs/dbraw/zinc/15/10/87/564151087.db2.gz JDZAPCUJAPXMME-UHFFFAOYSA-N 0 0 349.412 4.123 50 0 EIAARN CCOc1ccccc1OCCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002621477 564151208 /nfs/dbraw/zinc/15/12/08/564151208.db2.gz MXFCOEDZUOWMDM-UHFFFAOYSA-N 0 0 337.778 4.285 50 0 EIAARN COc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000002621469 564151232 /nfs/dbraw/zinc/15/12/32/564151232.db2.gz QAEIJPVIEKNTQE-UHFFFAOYSA-N 0 0 345.704 4.500 50 0 EIAARN Cc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nc(C)c1C ZINC000002625865 564151319 /nfs/dbraw/zinc/15/13/19/564151319.db2.gz IWWUCGQZQCJYKO-GFCCVEGCSA-N 0 0 335.860 4.175 50 0 EIAARN O=C(c1cc(F)c(F)c(F)c1F)N(c1ccccn1)c1ccccn1 ZINC000002626631 564151343 /nfs/dbraw/zinc/15/13/43/564151343.db2.gz YHSCYRILKMRBNR-UHFFFAOYSA-N 0 0 347.271 4.012 50 0 EIAARN Cc1ccc(O)c(C(=O)c2cnc3onc(-c4ccc(F)cc4)c3c2)c1 ZINC000002631587 564151442 /nfs/dbraw/zinc/15/14/42/564151442.db2.gz LKXYQRHBORZNNI-UHFFFAOYSA-N 0 0 348.333 4.274 50 0 EIAARN Cc1nc2ccccc2nc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000002645255 564151806 /nfs/dbraw/zinc/15/18/06/564151806.db2.gz PENLYMXMVSJXMZ-UHFFFAOYSA-N 0 0 343.386 4.109 50 0 EIAARN CCC(CC)c1nnc(NC(=O)COc2cc(C)ccc2C)s1 ZINC000002656063 564151974 /nfs/dbraw/zinc/15/19/74/564151974.db2.gz IRZOTVFZRJNDLP-UHFFFAOYSA-N 0 0 333.457 4.076 50 0 EIAARN COc1ccc2nc(NC(=O)c3cc(C)nc4ccccc43)sc2c1 ZINC000002658237 564152041 /nfs/dbraw/zinc/15/20/41/564152041.db2.gz OFKYBWVXLBHMRM-UHFFFAOYSA-N 0 0 349.415 4.414 50 0 EIAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)nnn1-c1cccc(Cl)c1 ZINC000002715815 564152197 /nfs/dbraw/zinc/15/21/97/564152197.db2.gz PDNQFCDFTFBBRK-UHFFFAOYSA-N 0 0 340.814 4.098 50 0 EIAARN CCOc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1OC(F)F ZINC000002793428 564152670 /nfs/dbraw/zinc/15/26/70/564152670.db2.gz APMYXUXXNRTJJH-RYUDHWBXSA-N 0 0 327.371 4.090 50 0 EIAARN CCOc1ccc(-c2csc(NC(=O)C(C)C)c2C(=O)OC)cc1 ZINC000002889607 564152964 /nfs/dbraw/zinc/15/29/64/564152964.db2.gz BKGCXPBHJBRUAF-UHFFFAOYSA-N 0 0 347.436 4.195 50 0 EIAARN Cc1nc(C)c([C@H](C)NC(=O)N2CCc3sccc3[C@H]2C)s1 ZINC000057283655 564153479 /nfs/dbraw/zinc/15/34/79/564153479.db2.gz OFZPNYLUYSOSKZ-WDEREUQCSA-N 0 0 335.498 4.211 50 0 EIAARN CCc1noc(C)c1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000057309372 564153513 /nfs/dbraw/zinc/15/35/13/564153513.db2.gz AOSFOSFWCPVBQH-UHFFFAOYSA-N 0 0 337.379 4.293 50 0 EIAARN COCCN(C(=S)Nc1cc(C)cc(C)c1)[C@@H](C)c1cccnc1 ZINC000003027473 564154461 /nfs/dbraw/zinc/15/44/61/564154461.db2.gz XCLQSNQDICIZMF-INIZCTEOSA-N 0 0 343.496 4.105 50 0 EIAARN Cc1cccc(C)c1NC(=O)c1n[nH]nc1Nc1ccc(Cl)cc1 ZINC000057510736 564154613 /nfs/dbraw/zinc/15/46/13/564154613.db2.gz 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/nfs/dbraw/zinc/15/67/23/564156723.db2.gz HRBKKVPIEDQUTM-VKJFTORMSA-N 0 0 342.439 4.013 50 0 EIAARN CSc1ncccc1C(=O)OCc1csc(-c2ccccc2)n1 ZINC000003275866 564156884 /nfs/dbraw/zinc/15/68/84/564156884.db2.gz MMUCUDQDHWSJIU-UHFFFAOYSA-N 0 0 342.445 4.284 50 0 EIAARN COc1ccc(CNc2ncnc3c4ccccc4oc32)cc1OC ZINC000003285064 564156988 /nfs/dbraw/zinc/15/69/88/564156988.db2.gz XYFJPCMETBTMKZ-UHFFFAOYSA-N 0 0 335.363 4.005 50 0 EIAARN COc1ccccc1CNc1nc(-c2cc(C)n(C)c2C)cs1 ZINC000003350524 564157591 /nfs/dbraw/zinc/15/75/91/564157591.db2.gz VYHKIGWVACXIMJ-UHFFFAOYSA-N 0 0 327.453 4.386 50 0 EIAARN O=C(NCCc1cccs1)Nc1ccc(Cc2ccncc2)cc1 ZINC000058114669 564157682 /nfs/dbraw/zinc/15/76/82/564157682.db2.gz CIBKLGCRVGTKTA-UHFFFAOYSA-N 0 0 337.448 4.098 50 0 EIAARN COc1ccc(-c2nnc(S[C@@H](C(C)=O)c3ccccc3)o2)cc1 ZINC000003437100 564158130 /nfs/dbraw/zinc/15/81/30/564158130.db2.gz NARWSNJHJDQJDZ-INIZCTEOSA-N 0 0 340.404 4.168 50 0 EIAARN C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000030986854 564158318 /nfs/dbraw/zinc/15/83/18/564158318.db2.gz ASJVLBMXGNBBBI-IUODEOHRSA-N 0 0 328.378 4.126 50 0 EIAARN COc1ccccc1-c1nc(COC(=O)c2cc(Cl)c[nH]2)cs1 ZINC000031002987 564158383 /nfs/dbraw/zinc/15/83/83/564158383.db2.gz DBRCGMBJZWVQGY-UHFFFAOYSA-N 0 0 348.811 4.157 50 0 EIAARN COc1ccc(Br)c(C(=O)Nc2cc(C)ccc2C)c1 ZINC000003478883 564158355 /nfs/dbraw/zinc/15/83/55/564158355.db2.gz VXFSOJPWRRIKHX-UHFFFAOYSA-N 0 0 334.213 4.327 50 0 EIAARN Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2ccccc21 ZINC000003490639 564158451 /nfs/dbraw/zinc/15/84/51/564158451.db2.gz RMZXYCUQUAQFGY-UHFFFAOYSA-N 0 0 343.839 4.322 50 0 EIAARN CC(C)c1nc2ccc(NC(=O)N[C@@H]3CCOC(C)(C)C3)cc2s1 ZINC000163538907 564158571 /nfs/dbraw/zinc/15/85/71/564158571.db2.gz BPCJKNADKYDNML-CYBMUJFWSA-N 0 0 347.484 4.499 50 0 EIAARN CC(C)c1nc2ccc(NC(=O)N[C@H]3CCOC(C)(C)C3)cc2s1 ZINC000163539008 564158585 /nfs/dbraw/zinc/15/85/85/564158585.db2.gz BPCJKNADKYDNML-ZDUSSCGKSA-N 0 0 347.484 4.499 50 0 EIAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 ZINC000031070170 564158657 /nfs/dbraw/zinc/15/86/57/564158657.db2.gz MRVLQPOIZYOKLI-UHFFFAOYSA-N 0 0 347.418 4.015 50 0 EIAARN CN(C(=O)CSCc1csc(-c2ccco2)n1)c1ccccc1 ZINC000031420246 564159383 /nfs/dbraw/zinc/15/93/83/564159383.db2.gz YHYGKXQCXSCUQC-UHFFFAOYSA-N 0 0 344.461 4.299 50 0 EIAARN CCCNC(=O)[C@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 ZINC000031423794 564159395 /nfs/dbraw/zinc/15/93/95/564159395.db2.gz NKNHLDUTKILOOP-NSHDSACASA-N 0 0 338.860 4.143 50 0 EIAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c1 ZINC000031820641 564160011 /nfs/dbraw/zinc/16/00/11/564160011.db2.gz BRSIUQRXYZSBRV-INIZCTEOSA-N 0 0 349.390 4.013 50 0 EIAARN Cc1ccc(-c2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)o1 ZINC000031871936 564160105 /nfs/dbraw/zinc/16/01/05/564160105.db2.gz ZCFWMONQRUWERG-LBPRGKRZSA-N 0 0 338.432 4.232 50 0 EIAARN Cc1nc(NC(=O)CC(C)C)sc1-c1nc(-c2cccs2)no1 ZINC000032095982 564160718 /nfs/dbraw/zinc/16/07/18/564160718.db2.gz NNKOGJDCZWXKTH-UHFFFAOYSA-N 0 0 348.453 4.215 50 0 EIAARN CCOC(=O)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000059421543 564161231 /nfs/dbraw/zinc/16/12/31/564161231.db2.gz VPVGNODMXRSGGB-UHFFFAOYSA-N 0 0 343.386 4.240 50 0 EIAARN O=C(N[C@@H](c1cccs1)C1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000032397098 564161336 /nfs/dbraw/zinc/16/13/36/564161336.db2.gz PRIQLJHURKCEMY-SJLPKXTDSA-N 0 0 327.449 4.099 50 0 EIAARN Clc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000007979974 564161687 /nfs/dbraw/zinc/16/16/87/564161687.db2.gz OYAQLWBFUGENMD-UHFFFAOYSA-N 0 0 337.854 4.210 50 0 EIAARN Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCSc3ccccc32)s1 ZINC000007989197 564161945 /nfs/dbraw/zinc/16/19/45/564161945.db2.gz JLAKQNRECRVVIP-CQSZACIVSA-N 0 0 345.489 4.373 50 0 EIAARN O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1-c1ccccc1 ZINC000008036340 564162285 /nfs/dbraw/zinc/16/22/85/564162285.db2.gz XWGDCEHFDROBEL-UHFFFAOYSA-N 0 0 347.370 4.100 50 0 EIAARN Cc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1Cl ZINC000008039002 564162334 /nfs/dbraw/zinc/16/23/34/564162334.db2.gz KAMRPKGWDDVHQW-UHFFFAOYSA-N 0 0 349.839 4.150 50 0 EIAARN O=C(CSC[C@H]1CCCCO1)Nc1scnc1-c1ccccc1 ZINC000171062279 564162378 /nfs/dbraw/zinc/16/23/78/564162378.db2.gz OXGKAUWNMUSCNX-CQSZACIVSA-N 0 0 348.493 4.051 50 0 EIAARN O=C1Cc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc2N1 ZINC000008042172 564162404 /nfs/dbraw/zinc/16/24/04/564162404.db2.gz MLXHDTNZZLYPKT-UHFFFAOYSA-N 0 0 325.368 4.187 50 0 EIAARN CC(C)(C)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)on1 ZINC000008075487 564162569 /nfs/dbraw/zinc/16/25/69/564162569.db2.gz OXHZQFMZDSMRQK-UHFFFAOYSA-N 0 0 343.210 4.296 50 0 EIAARN CC(=O)c1cccc(NC(=O)c2ccc(F)cc2Br)c1 ZINC000008076721 564162575 /nfs/dbraw/zinc/16/25/75/564162575.db2.gz IGWXPBMSSPWXHE-UHFFFAOYSA-N 0 0 336.160 4.043 50 0 EIAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCCC1 ZINC000008133720 564163062 /nfs/dbraw/zinc/16/30/62/564163062.db2.gz YIPNDCPTDQUQPW-UHFFFAOYSA-N 0 0 347.846 4.162 50 0 EIAARN C[C@H]1CCc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2C1 ZINC000008185323 564163409 /nfs/dbraw/zinc/16/34/09/564163409.db2.gz NVZIORKRSCNNNF-VIFPVBQESA-N 0 0 338.835 4.242 50 0 EIAARN CCc1cccc2c(-c3csc(NC[C@H]4CCCO4)n3)c[nH]c21 ZINC000008191941 564163471 /nfs/dbraw/zinc/16/34/71/564163471.db2.gz JUZHBVIUFMKMQV-CYBMUJFWSA-N 0 0 327.453 4.445 50 0 EIAARN COc1ccccc1/C(C)=C/C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000066626940 564163632 /nfs/dbraw/zinc/16/36/32/564163632.db2.gz XKVOIKNKSYYTLS-ACCUITESSA-N 0 0 327.428 4.131 50 0 EIAARN C[C@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)c1ccc(F)cc1 ZINC000008230897 564163695 /nfs/dbraw/zinc/16/36/95/564163695.db2.gz YNCFRBNPROKTNB-VIFPVBQESA-N 0 0 333.413 4.036 50 0 EIAARN O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000008267800 564163918 /nfs/dbraw/zinc/16/39/18/564163918.db2.gz CGSCAGIEIYXAOJ-QWHCGFSZSA-N 0 0 341.282 4.444 50 0 EIAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H](C)c1ccccc1 ZINC000008273862 564163928 /nfs/dbraw/zinc/16/39/28/564163928.db2.gz WJQMTHUFGPXIAR-MRXNPFEDSA-N 0 0 347.462 4.299 50 0 EIAARN C[C@@H]1C[C@@H](Sc2ncnc3sc(-c4ccccc4)cc32)C(=O)O1 ZINC000008278524 564163966 /nfs/dbraw/zinc/16/39/66/564163966.db2.gz 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MSZQBDBKPAQEEW-UHFFFAOYSA-N 0 0 342.851 4.330 50 0 aggregator EIAARN CCN(Cc1nc(-c2cccnc2)no1)[C@H](C)c1cc2ccccc2o1 ZINC000067458352 564165941 /nfs/dbraw/zinc/16/59/41/564165941.db2.gz TZGNHUMUBFGJKU-CQSZACIVSA-N 0 0 348.406 4.461 50 0 EIAARN CCOC(=O)c1c(C)oc2nc(C)nc(Nc3ccc(CC)cc3)c21 ZINC000008596742 564165956 /nfs/dbraw/zinc/16/59/56/564165956.db2.gz ZUHJCOGNKHASRW-UHFFFAOYSA-N 0 0 339.395 4.322 50 0 EIAARN CCCn1c2ccccc2nc1SC[C@H](O)c1cccc(OC)c1 ZINC000008606639 564166010 /nfs/dbraw/zinc/16/60/10/564166010.db2.gz AZVLXMZJNKJDHA-SFHVURJKSA-N 0 0 342.464 4.281 50 0 EIAARN CCn1c(SCC(=O)c2ccccc2Cl)nnc1-c1ccco1 ZINC000008620077 564166129 /nfs/dbraw/zinc/16/61/29/564166129.db2.gz DMKIOQWQIBWAJN-UHFFFAOYSA-N 0 0 347.827 4.186 50 0 EIAARN Cc1nc2cc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)ccc2o1 ZINC000008706793 564166501 /nfs/dbraw/zinc/16/65/01/564166501.db2.gz ZUVBCHMVPNHXOP-FQEVSTJZSA-N 0 0 349.434 4.302 50 0 EIAARN Cc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c1 ZINC000008708538 564166552 /nfs/dbraw/zinc/16/65/52/564166552.db2.gz XWCNRNVOJQVSKX-UHFFFAOYSA-N 0 0 326.343 4.140 50 0 EIAARN COc1ccc(OC)c(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1 ZINC000008710414 564166611 /nfs/dbraw/zinc/16/66/11/564166611.db2.gz JCCJXKGSXFOYML-UHFFFAOYSA-N 0 0 336.391 4.055 50 0 EIAARN Cc1c2ccccc2nc2c1CS(=O)(=O)c1ccc(Cl)cc1-2 ZINC000008726064 564167006 /nfs/dbraw/zinc/16/70/06/564167006.db2.gz LYGQDLPTUBRDDZ-UHFFFAOYSA-N 0 0 329.808 4.151 50 0 EIAARN CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000040120667 564168227 /nfs/dbraw/zinc/16/82/27/564168227.db2.gz XYPPROXWUPMPDR-ZDUSSCGKSA-N 0 0 327.384 4.138 50 0 EIAARN C[S@@](=O)c1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000069623212 564170976 /nfs/dbraw/zinc/17/09/76/564170976.db2.gz FWJIQGVXBWCLEC-NRFANRHFSA-N 0 0 346.210 4.122 50 0 EIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000244975086 564168596 /nfs/dbraw/zinc/16/85/96/564168596.db2.gz IASWPPWWLDZEFI-NSHDSACASA-N 0 0 348.324 4.208 50 0 EIAARN CCCN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 ZINC000009107200 564168907 /nfs/dbraw/zinc/16/89/07/564168907.db2.gz UNTRKYYOXDPOKE-UHFFFAOYSA-N 0 0 342.826 4.282 50 0 EIAARN CCCN1c2ccc(NC(=O)c3ccc(C)cc3C)cc2CCC1=O ZINC000009107197 564168923 /nfs/dbraw/zinc/16/89/23/564168923.db2.gz XVWYVAYBWBUVRW-UHFFFAOYSA-N 0 0 336.435 4.245 50 0 EIAARN CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000245316876 564169059 /nfs/dbraw/zinc/16/90/59/564169059.db2.gz LAFBKDIAPSSYEF-YDZRNGNQSA-N 0 0 340.854 4.329 50 0 EIAARN Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H]2C[C@@H]2c2ccco2)c1 ZINC000069415471 564169251 /nfs/dbraw/zinc/16/92/51/564169251.db2.gz UOPURNNMQRNHLG-VQTJNVASSA-N 0 0 346.430 4.316 50 0 EIAARN Cc1noc(C)c1CN(C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069442822 564169544 /nfs/dbraw/zinc/16/95/44/564169544.db2.gz CEFXVMVLOWAWGS-IBGZPJMESA-N 0 0 325.387 4.047 50 0 EIAARN CCCc1noc([C@@H](C)N[C@H](c2cccnc2)C2CCCCC2)n1 ZINC000069443385 564169560 /nfs/dbraw/zinc/16/95/60/564169560.db2.gz MGJUPBUIEZSHGX-KDOFPFPSSA-N 0 0 328.460 4.389 50 0 EIAARN C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccn2)no1 ZINC000069515471 564170034 /nfs/dbraw/zinc/17/00/34/564170034.db2.gz MBNKGLQSNXDBJS-CYBMUJFWSA-N 0 0 334.379 4.071 50 0 EIAARN CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000009137574 564170415 /nfs/dbraw/zinc/17/04/15/564170415.db2.gz MGRNKHSNMXBYHF-UHFFFAOYSA-N 0 0 340.398 4.013 50 0 EIAARN Cc1csc(C2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)CC2)n1 ZINC000069615976 564170902 /nfs/dbraw/zinc/17/09/02/564170902.db2.gz CVGUJAMIQYTJHD-ZDUSSCGKSA-N 0 0 346.471 4.490 50 0 EIAARN CCN(Cc1ccc2ccccc2n1)C(=O)/C=C/c1csc(C)n1 ZINC000069628944 564171036 /nfs/dbraw/zinc/17/10/36/564171036.db2.gz IPAGLPJJPHPREX-ZHACJKMWSA-N 0 0 337.448 4.062 50 0 EIAARN CCN(C(=O)c1cc(C)on1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000069700261 564171548 /nfs/dbraw/zinc/17/15/48/564171548.db2.gz QVIGTPLEWUDIJX-HXUWFJFHSA-N 0 0 349.434 4.247 50 0 EIAARN Cc1cccc(C)c1NC(=O)CNc1c(F)cccc1N1CCCC1 ZINC000069699034 564171580 /nfs/dbraw/zinc/17/15/80/564171580.db2.gz VIILQXWETONDBY-UHFFFAOYSA-N 0 0 341.430 4.093 50 0 EIAARN CCC[C@@H]1c2ccccc2CCN1C(=O)CCc1c(C)noc1C ZINC000069737831 564171819 /nfs/dbraw/zinc/17/18/19/564171819.db2.gz IZQJSDAYZHJVCP-LJQANCHMSA-N 0 0 326.440 4.150 50 0 EIAARN Cc1c2cc(F)ccc2oc1[C@@H](C)NC(=O)N(C)Cc1ccncc1 ZINC000069770465 564172001 /nfs/dbraw/zinc/17/20/01/564172001.db2.gz QYHMEPYOMDTGPU-CYBMUJFWSA-N 0 0 341.386 4.178 50 0 EIAARN CCCCS[C@@H](C)C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000069774015 564172082 /nfs/dbraw/zinc/17/20/82/564172082.db2.gz ZQOVXFKVBOQLFL-STQMWFEESA-N 0 0 349.525 4.304 50 0 EIAARN Cc1nccn1[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000069810220 564172279 /nfs/dbraw/zinc/17/22/79/564172279.db2.gz WCXGNPZTNSZCBW-SFHVURJKSA-N 0 0 345.874 4.031 50 0 EIAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1ccccc1C(C)(C)C ZINC000069844801 564172453 /nfs/dbraw/zinc/17/24/53/564172453.db2.gz BHGCHMVFTBJBFN-GFCCVEGCSA-N 0 0 328.460 4.217 50 0 EIAARN COc1ccc([C@@H]2CCCN2c2cc(C)nc(-c3ccncc3)n2)cc1 ZINC000070037481 564173440 /nfs/dbraw/zinc/17/34/40/564173440.db2.gz BUBXAJCYXFOSGD-IBGZPJMESA-N 0 0 346.434 4.197 50 0 EIAARN CCCCOc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000041157544 564173605 /nfs/dbraw/zinc/17/36/05/564173605.db2.gz LXHSGXHTQKUWJW-UHFFFAOYSA-N 0 0 347.842 4.328 50 0 EIAARN CC1CCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1 ZINC000009576467 564174171 /nfs/dbraw/zinc/17/41/71/564174171.db2.gz AIBNZHABXLUOJQ-DVBCCOPCSA-N 0 0 347.462 4.171 50 0 EIAARN Cc1ccnc(Oc2ccc(C(=O)Nc3ccccc3Cl)cc2)n1 ZINC000070655618 564174268 /nfs/dbraw/zinc/17/42/68/564174268.db2.gz OUZKZYSLKQWVGM-UHFFFAOYSA-N 0 0 339.782 4.483 50 0 EIAARN CCOc1ccccc1-c1noc(CN2c3ccccc3CC[C@H]2C)n1 ZINC000009682352 564174422 /nfs/dbraw/zinc/17/44/22/564174422.db2.gz RSHDSIRUJOCWJX-OAHLLOKOSA-N 0 0 349.434 4.477 50 0 EIAARN CC(C)(C)c1nnc(SCC(=O)Nc2cccc3ccccc32)o1 ZINC000042569124 564175033 /nfs/dbraw/zinc/17/50/33/564175033.db2.gz NLYMJGKQTDURNK-UHFFFAOYSA-N 0 0 341.436 4.251 50 0 EIAARN O=C(NC1CCCC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000042622628 564175079 /nfs/dbraw/zinc/17/50/79/564175079.db2.gz CGGWNQUMHNYKGP-HUUCEWRRSA-N 0 0 326.465 4.405 50 0 EIAARN Cc1nc(C2(NCc3csc(C(C)C)n3)CCCCCC2)no1 ZINC000071792443 564175307 /nfs/dbraw/zinc/17/53/07/564175307.db2.gz YDWVSXGZAYTXBQ-UHFFFAOYSA-N 0 0 334.489 4.297 50 0 EIAARN Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cs2)o1 ZINC000071843909 564175860 /nfs/dbraw/zinc/17/58/60/564175860.db2.gz FQJADZHOEKPQRK-SNVBAGLBSA-N 0 0 344.358 4.126 50 0 EIAARN COc1cccc([C@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)c1 ZINC000071847862 564175979 /nfs/dbraw/zinc/17/59/79/564175979.db2.gz LMACGEPLGQQIOT-QGZVFWFLSA-N 0 0 344.480 4.181 50 0 EIAARN O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000071851765 564176008 /nfs/dbraw/zinc/17/60/08/564176008.db2.gz UQBWLIWVQVUWST-GFCCVEGCSA-N 0 0 340.370 4.225 50 0 EIAARN Cc1nc2sc(-c3ccccc3)cc2c(NC2CCOCC2)n1 ZINC000076871104 564176543 /nfs/dbraw/zinc/17/65/43/564176543.db2.gz NAZLQTRHPKMRPY-UHFFFAOYSA-N 0 0 325.437 4.258 50 0 EIAARN Cc1cc(C)n2cc(CN(C)Cc3csc4ccccc34)nc2n1 ZINC000076990809 564176583 /nfs/dbraw/zinc/17/65/83/564176583.db2.gz PCMLVXYNEHZZIW-UHFFFAOYSA-N 0 0 336.464 4.193 50 0 EIAARN COc1ccc(-c2nc(COc3ccc(C)cn3)cs2)cc1OC ZINC000077240453 564176638 /nfs/dbraw/zinc/17/66/38/564176638.db2.gz GVHNVUPKSJDODV-UHFFFAOYSA-N 0 0 342.420 4.110 50 0 EIAARN CN(C)c1ccc(NC(=O)c2cccnc2SC2CCCC2)cc1 ZINC000077529141 564176763 /nfs/dbraw/zinc/17/67/63/564176763.db2.gz PXCHLCSUKBGWPM-UHFFFAOYSA-N 0 0 341.480 4.435 50 0 EIAARN Cc1cnc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C)C2CC2)cn1 ZINC000077763205 564176884 /nfs/dbraw/zinc/17/68/84/564176884.db2.gz GTGVBWDRRJBNGO-GFCCVEGCSA-N 0 0 349.356 4.249 50 0 EIAARN CN(C(=O)CC/C=C/c1ccccc1)C1CCN(c2ccccn2)CC1 ZINC000078093644 564176911 /nfs/dbraw/zinc/17/69/11/564176911.db2.gz JKDQUUFASUDTCJ-VZUCSPMQSA-N 0 0 349.478 4.002 50 0 EIAARN CN(C)c1cccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c1 ZINC000033255322 564177497 /nfs/dbraw/zinc/17/74/97/564177497.db2.gz HRKZHDHYMLMOHH-UHFFFAOYSA-N 0 0 334.423 4.070 50 0 EIAARN CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000039944338 564177681 /nfs/dbraw/zinc/17/76/81/564177681.db2.gz NCMZQTLCXHGLOK-BXGJLEAFSA-N 0 0 330.468 4.450 50 0 EIAARN COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000015836662 568420123 /nfs/dbraw/zinc/42/01/23/568420123.db2.gz FFGLAMQDENMIQX-GOSISDBHSA-N 0 0 329.827 4.464 50 0 EIAARN Cc1cccc(C(=O)Nc2ccc3c(c2)ncnc3N2CCCCC2)c1 ZINC000065135044 568421094 /nfs/dbraw/zinc/42/10/94/568421094.db2.gz FVXNZDJCGBRLBC-UHFFFAOYSA-N 0 0 346.434 4.181 50 0 EIAARN O=C(c1ccccc1)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135322 568421108 /nfs/dbraw/zinc/42/11/08/568421108.db2.gz UKTADNVCPJIYRS-IBGZPJMESA-N 0 0 343.430 4.163 50 0 EIAARN O=c1c2ccccc2nc(SCc2nc3ccccc3o2)n1C1CC1 ZINC000007861372 568421913 /nfs/dbraw/zinc/42/19/13/568421913.db2.gz QNXFMVNMHNQADD-UHFFFAOYSA-N 0 0 349.415 4.165 50 0 EIAARN